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_D 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 0.000 174.622 174.600 0.036 0.000 1.055 2 S CA 0.000 58.217 58.200 0.029 0.000 1.107 2 S CB 0.000 63.214 63.200 0.023 0.000 0.593 3 Q N 1.293 121.117 119.800 0.040 0.000 2.434 3 Q HA -0.115 4.225 4.340 0.000 0.000 0.288 3 Q C -1.514 174.519 176.000 0.054 0.000 1.372 3 Q CA 0.298 56.128 55.803 0.045 0.000 0.731 3 Q CB -1.147 27.616 28.738 0.042 0.000 1.126 3 Q HN 0.535 nan 8.270 nan 0.000 0.398 4 L N 0.696 121.954 121.223 0.058 0.000 2.276 4 L HA 0.510 4.850 4.340 0.000 0.000 0.286 4 L C 0.280 177.193 176.870 0.072 0.000 1.061 4 L CA -0.187 54.692 54.840 0.065 0.000 0.807 4 L CB 1.745 43.844 42.059 0.066 0.000 1.177 4 L HN 0.072 nan 8.230 nan 0.000 0.429 5 V N 4.614 124.567 119.914 0.064 0.000 2.487 5 V HA 0.327 4.447 4.120 0.000 0.000 0.298 5 V C 0.161 176.243 176.094 -0.020 0.000 1.028 5 V CA -0.808 61.523 62.300 0.051 0.000 0.860 5 V CB 2.295 34.166 31.823 0.079 0.000 0.991 5 V HN 0.747 nan 8.190 nan 0.000 0.427 6 E N 3.373 123.545 120.200 -0.046 0.000 2.313 6 E HA 0.469 4.819 4.350 0.000 0.000 0.272 6 E C -1.186 175.176 176.600 -0.397 0.000 1.038 6 E CA -0.314 55.980 56.400 -0.176 0.000 0.863 6 E CB 1.473 31.124 29.700 -0.082 0.000 1.060 6 E HN 0.753 nan 8.360 nan 0.000 0.402 7 C N 4.383 123.259 119.300 -0.707 0.000 2.599 7 C HA 0.416 4.876 4.460 0.000 0.000 0.354 7 C C -1.105 173.339 174.990 -0.910 0.000 1.092 7 C CA -0.497 57.893 59.018 -1.047 0.000 1.280 7 C CB 0.212 27.028 27.740 -1.539 0.000 1.829 7 C HN 0.499 nan 8.230 nan 0.000 0.454 8 V N 8.907 128.484 119.914 -0.562 0.000 2.225 8 V HA 0.337 4.457 4.120 0.000 0.000 0.264 8 V C -1.955 174.034 176.094 -0.176 0.000 1.067 8 V CA -1.031 61.101 62.300 -0.281 0.000 0.903 8 V CB 0.974 32.671 31.823 -0.211 0.000 1.136 8 V HN 0.801 nan 8.190 nan 0.000 0.456 9 P HA 0.033 nan 4.420 nan 0.000 0.267 9 P C -0.309 176.980 177.300 -0.017 0.000 1.209 9 P CA 0.134 63.170 63.100 -0.107 0.000 0.763 9 P CB 0.658 32.320 31.700 -0.064 0.000 0.816 10 N N 3.483 122.115 118.700 -0.113 0.000 2.558 10 N HA 0.201 4.941 4.740 0.000 0.000 0.233 10 N C -0.997 174.454 175.510 -0.099 0.000 1.038 10 N CA -0.327 52.704 53.050 -0.031 0.000 0.934 10 N CB -0.153 38.320 38.487 -0.025 0.000 1.175 10 N HN 0.223 nan 8.380 nan 0.000 0.512 11 F N 0.742 120.770 119.950 0.132 0.000 2.404 11 F HA 0.176 4.703 4.527 0.000 0.000 0.345 11 F C 1.276 177.067 175.800 -0.014 0.000 1.110 11 F CA -0.467 57.579 58.000 0.077 0.000 1.130 11 F CB 1.234 40.370 39.000 0.227 0.000 1.129 11 F HN 0.183 nan 8.300 nan 0.000 0.500 12 S N 3.425 119.167 115.700 0.071 0.000 3.517 12 S HA -0.029 4.441 4.470 0.000 0.000 0.284 12 S C 1.512 176.004 174.600 -0.181 0.000 1.260 12 S CA -0.199 57.890 58.200 -0.185 0.000 0.975 12 S CB -0.440 62.468 63.200 -0.486 0.000 1.540 12 S HN 0.812 nan 8.310 nan 0.000 0.506 13 E N 3.032 123.231 120.200 -0.002 0.000 2.301 13 E HA -0.359 3.991 4.350 0.000 0.000 0.224 13 E C 1.825 178.428 176.600 0.005 0.000 1.092 13 E CA 1.914 58.335 56.400 0.035 0.000 0.913 13 E CB -0.381 29.357 29.700 0.062 0.000 0.776 13 E HN 0.865 nan 8.360 nan 0.000 0.465 14 G N 0.922 109.739 108.800 0.029 0.000 2.934 14 G HA2 -0.497 3.463 3.960 0.000 0.000 0.231 14 G HA3 -0.497 3.463 3.960 0.000 0.000 0.231 14 G C 0.441 175.385 174.900 0.074 0.000 1.235 14 G CA 1.115 46.259 45.100 0.074 0.000 0.812 14 G HN 0.801 nan 8.290 nan 0.000 0.521 15 N N -0.622 118.104 118.700 0.043 0.000 2.596 15 N HA 0.098 4.838 4.740 0.000 0.000 0.274 15 N C -0.760 174.758 175.510 0.013 0.000 1.258 15 N CA 2.102 55.170 53.050 0.029 0.000 0.636 15 N CB -1.276 37.233 38.487 0.037 0.000 0.928 15 N HN 2.230 nan 8.380 nan 0.000 0.540 16 N N 1.331 120.033 118.700 0.003 0.000 6.361 16 N HA 0.060 4.800 4.740 0.000 0.000 0.121 16 N C 0.508 176.013 175.510 -0.008 0.000 0.988 16 N CA -0.302 52.746 53.050 -0.003 0.000 1.162 16 N CB 0.382 38.869 38.487 -0.001 0.000 1.433 16 N HN 0.108 nan 8.380 nan 0.000 1.190 17 Q N 1.805 121.600 119.800 -0.009 0.000 2.135 17 Q HA -0.335 4.005 4.340 0.000 0.000 0.218 17 Q C 0.690 176.682 176.000 -0.013 0.000 1.058 17 Q CA 2.902 58.699 55.803 -0.010 0.000 0.926 17 Q CB -0.643 28.090 28.738 -0.009 0.000 1.065 17 Q HN 0.895 nan 8.270 nan 0.000 0.433 18 E N -0.370 119.821 120.200 -0.015 0.000 2.169 18 E HA -0.202 4.148 4.350 0.000 0.000 0.202 18 E C 2.083 178.663 176.600 -0.033 0.000 1.016 18 E CA 1.685 58.073 56.400 -0.021 0.000 0.817 18 E CB -0.173 29.517 29.700 -0.017 0.000 0.736 18 E HN 0.196 nan 8.360 nan 0.000 0.462 19 V N 0.914 120.807 119.914 -0.035 0.000 2.302 19 V HA -0.211 3.909 4.120 0.000 0.000 0.243 19 V C 2.197 178.250 176.094 -0.068 0.000 1.036 19 V CA 1.435 63.698 62.300 -0.061 0.000 1.020 19 V CB -0.382 31.407 31.823 -0.057 0.000 0.657 19 V HN 0.203 nan 8.190 nan 0.000 0.453 20 I N 0.678 121.238 120.570 -0.016 0.000 2.058 20 I HA -0.264 3.906 4.170 0.000 0.000 0.235 20 I C 2.241 178.397 176.117 0.065 0.000 1.053 20 I CA 2.038 63.373 61.300 0.059 0.000 1.313 20 I CB -0.741 37.277 38.000 0.030 0.000 1.039 20 I HN 0.325 nan 8.210 nan 0.000 0.396 21 D N 1.091 121.505 120.400 0.023 0.000 2.309 21 D HA -0.118 4.522 4.640 0.000 0.000 0.212 21 D C 2.030 178.319 176.300 -0.020 0.000 0.968 21 D CA 1.376 55.386 54.000 0.015 0.000 0.882 21 D CB -0.037 40.764 40.800 0.001 0.000 0.918 21 D HN 0.452 nan 8.370 nan 0.000 0.503 22 A N 0.925 123.715 122.820 -0.050 0.000 1.878 22 A HA -0.009 4.311 4.320 0.000 0.000 0.213 22 A C 2.315 179.817 177.584 -0.137 0.000 1.192 22 A CA 0.247 52.236 52.037 -0.079 0.000 0.619 22 A CB -0.497 18.458 19.000 -0.074 0.000 0.837 22 A HN 0.068 nan 8.150 nan 0.000 0.446 23 I N 0.509 120.944 120.570 -0.225 0.000 2.118 23 I HA -0.284 3.886 4.170 0.000 0.000 0.241 23 I C 2.808 178.711 176.117 -0.357 0.000 1.070 23 I CA 1.830 62.879 61.300 -0.419 0.000 1.327 23 I CB -0.240 37.259 38.000 -0.835 0.000 1.034 23 I HN 0.459 nan 8.210 nan 0.000 0.405 24 S N -0.137 115.455 115.700 -0.179 0.000 2.500 24 S HA -0.198 4.272 4.470 0.000 0.000 0.239 24 S C 1.796 176.368 174.600 -0.046 0.000 0.989 24 S CA 1.232 59.434 58.200 0.002 0.000 0.951 24 S CB -0.186 63.182 63.200 0.281 0.000 0.759 24 S HN 0.503 nan 8.310 nan 0.000 0.523 25 Q N 0.148 119.900 119.800 -0.079 0.000 2.159 25 Q HA 0.287 4.627 4.340 0.000 0.000 0.194 25 Q C 2.694 178.634 176.000 -0.100 0.000 0.968 25 Q CA 0.825 56.586 55.803 -0.071 0.000 0.837 25 Q CB -0.449 28.256 28.738 -0.054 0.000 0.920 25 Q HN 0.658 nan 8.270 nan 0.000 0.485 26 A N 1.363 124.115 122.820 -0.114 0.000 1.997 26 A HA -0.223 4.097 4.320 0.000 0.000 0.221 26 A C 1.960 179.454 177.584 -0.149 0.000 1.172 26 A CA 1.313 53.284 52.037 -0.110 0.000 0.645 26 A CB -0.745 18.194 19.000 -0.101 0.000 0.813 26 A HN 0.503 nan 8.150 nan 0.000 0.454 27 I N -1.750 118.689 120.570 -0.219 0.000 2.500 27 I HA -0.081 4.089 4.170 0.000 0.000 0.252 27 I C 2.188 178.118 176.117 -0.312 0.000 1.142 27 I CA 1.565 62.658 61.300 -0.345 0.000 1.451 27 I CB 0.084 37.805 38.000 -0.465 0.000 1.093 27 I HN 0.262 nan 8.210 nan 0.000 0.430 28 S N -0.127 115.462 115.700 -0.185 0.000 2.535 28 S HA 0.094 4.564 4.470 0.000 0.000 0.214 28 S C 1.288 175.840 174.600 -0.081 0.000 0.980 28 S CA 0.088 58.217 58.200 -0.118 0.000 0.907 28 S CB 0.018 63.180 63.200 -0.063 0.000 0.790 28 S HN 0.542 nan 8.310 nan 0.000 0.510 29 Q N 0.970 120.719 119.800 -0.085 0.000 2.188 29 Q HA 0.187 4.527 4.340 0.000 0.000 0.212 29 Q C -0.586 175.381 176.000 -0.056 0.000 0.846 29 Q CA -0.006 55.763 55.803 -0.056 0.000 0.989 29 Q CB 0.905 29.616 28.738 -0.047 0.000 1.114 29 Q HN 0.223 nan 8.270 nan 0.000 0.488 30 T N 3.100 117.606 114.554 -0.080 0.000 2.743 30 T HA 0.314 4.664 4.350 0.000 0.000 0.293 30 T C -2.428 172.249 174.700 -0.038 0.000 0.945 30 T CA -1.531 60.531 62.100 -0.063 0.000 1.030 30 T CB 1.001 69.809 68.868 -0.100 0.000 0.912 30 T HN -0.023 nan 8.240 nan 0.000 0.483 31 P HA 0.437 nan 4.420 nan 0.000 0.281 31 P C 0.958 178.268 177.300 0.017 0.000 1.252 31 P CA 0.138 63.239 63.100 0.001 0.000 0.778 31 P CB 0.752 32.456 31.700 0.006 0.000 0.895 32 G N 1.195 110.010 108.800 0.026 0.000 2.184 32 G HA2 -0.169 3.791 3.960 0.000 0.000 0.206 32 G HA3 -0.169 3.791 3.960 0.000 0.000 0.206 32 G C 0.035 174.976 174.900 0.069 0.000 0.995 32 G CA -0.027 45.100 45.100 0.045 0.000 0.651 32 G HN 0.794 nan 8.290 nan 0.000 0.511 33 C N -0.560 118.779 119.300 0.065 0.000 2.848 33 C HA 0.934 5.394 4.460 0.000 0.000 0.317 33 C C 0.037 175.077 174.990 0.084 0.000 1.260 33 C CA -1.375 57.715 59.018 0.119 0.000 1.656 33 C CB 1.787 29.651 27.740 0.206 0.000 2.174 33 C HN 0.559 nan 8.230 nan 0.000 0.479 34 V N 1.657 121.651 119.914 0.134 0.000 2.531 34 V HA 0.415 4.535 4.120 0.000 0.000 0.301 34 V C -0.501 175.680 176.094 0.145 0.000 1.034 34 V CA -0.261 62.097 62.300 0.098 0.000 0.865 34 V CB 1.587 33.458 31.823 0.081 0.000 0.995 34 V HN 0.813 nan 8.190 nan 0.000 0.424 35 L N 5.429 126.709 121.223 0.095 0.000 2.385 35 L HA 0.294 4.634 4.340 0.000 0.000 0.281 35 L C 0.782 177.725 176.870 0.122 0.000 1.106 35 L CA 0.786 55.704 54.840 0.130 0.000 0.856 35 L CB 0.380 42.478 42.059 0.066 0.000 1.186 35 L HN 0.612 nan 8.230 nan 0.000 0.453 36 L N 2.725 124.037 121.223 0.149 0.000 2.408 36 L HA 0.294 4.634 4.340 0.000 0.000 0.215 36 L C -0.270 176.639 176.870 0.064 0.000 1.081 36 L CA 0.308 55.204 54.840 0.093 0.000 0.840 36 L CB 0.116 42.226 42.059 0.086 0.000 1.002 36 L HN 0.725 nan 8.230 nan 0.000 0.468 37 D N -1.473 118.972 120.400 0.076 0.000 2.785 37 D HA 0.057 4.697 4.640 0.000 0.000 0.239 37 D C -1.460 174.849 176.300 0.015 0.000 1.142 37 D CA -0.274 53.745 54.000 0.031 0.000 0.734 37 D CB 1.585 42.389 40.800 0.006 0.000 1.820 37 D HN -0.236 nan 8.370 nan 0.000 0.461 38 V N 3.471 123.352 119.914 -0.056 0.000 2.284 38 V HA 0.465 4.585 4.120 0.000 0.000 0.274 38 V C -0.973 174.986 176.094 -0.224 0.000 1.023 38 V CA -0.586 61.577 62.300 -0.228 0.000 0.808 38 V CB 1.078 32.732 31.823 -0.282 0.000 1.035 38 V HN 0.584 nan 8.190 nan 0.000 0.445 39 D N 6.073 126.352 120.400 -0.202 0.000 2.317 39 D HA 0.528 5.168 4.640 0.000 0.000 0.252 39 D C -0.204 175.990 176.300 -0.177 0.000 1.174 39 D CA 0.140 54.051 54.000 -0.147 0.000 0.866 39 D CB 1.941 42.682 40.800 -0.098 0.000 1.127 39 D HN 0.784 nan 8.370 nan 0.000 0.467 40 A N 2.747 125.485 122.820 -0.135 0.000 2.350 40 A HA 0.703 5.023 4.320 0.000 0.000 0.324 40 A C -0.032 177.514 177.584 -0.063 0.000 1.118 40 A CA -0.600 51.372 52.037 -0.108 0.000 0.783 40 A CB 1.807 20.745 19.000 -0.103 0.000 1.236 40 A HN 0.544 nan 8.150 nan 0.000 0.457 41 G N 2.389 111.163 108.800 -0.044 0.000 2.883 41 G HA2 0.524 4.484 3.960 0.000 0.000 0.285 41 G HA3 0.524 4.484 3.960 0.000 0.000 0.285 41 G C -2.242 172.655 174.900 -0.006 0.000 1.526 41 G CA -1.330 43.754 45.100 -0.028 0.000 1.062 41 G HN 0.343 nan 8.290 nan 0.000 0.550 42 P HA -0.250 nan 4.420 nan 0.000 0.216 42 P C 2.371 179.680 177.300 0.014 0.000 1.167 42 P CA 2.359 65.464 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 -1.652 114.056 115.700 0.013 0.000 2.428 43 S HA -0.111 4.359 4.470 0.000 0.000 0.230 43 S C 1.804 176.420 174.600 0.027 0.000 1.014 43 S CA 1.807 60.018 58.200 0.017 0.000 0.957 43 S CB -1.931 61.282 63.200 0.020 0.000 0.784 43 S HN 0.283 nan 8.310 nan 0.000 0.499 44 T N -0.866 113.703 114.554 0.025 0.000 3.023 44 T HA 0.107 4.457 4.350 0.000 0.000 0.266 44 T C 0.818 175.573 174.700 0.092 0.000 1.093 44 T CA 0.543 62.671 62.100 0.046 0.000 1.129 44 T CB -0.962 67.882 68.868 -0.040 0.000 0.899 44 T HN 0.434 nan 8.240 nan 0.000 0.491 45 N N 2.087 120.831 118.700 0.073 0.000 2.705 45 N HA -0.189 4.551 4.740 0.000 0.000 0.255 45 N C -0.166 175.457 175.510 0.189 0.000 1.008 45 N CA 0.823 53.947 53.050 0.123 0.000 0.742 45 N CB -0.868 37.688 38.487 0.115 0.000 0.906 45 N HN 0.933 nan 8.380 nan 0.000 0.541 46 R N -2.507 118.054 120.500 0.102 0.000 2.781 46 R HA 0.769 5.109 4.340 0.000 0.000 0.269 46 R C -1.365 174.956 176.300 0.036 0.000 1.025 46 R CA -0.921 55.231 56.100 0.087 0.000 0.914 46 R CB 1.125 31.490 30.300 0.107 0.000 1.236 46 R HN -0.019 nan 8.270 nan 0.000 0.465 47 T N 1.297 115.889 114.554 0.063 0.000 2.965 47 T HA 0.305 4.655 4.350 0.000 0.000 0.306 47 T C -0.669 174.026 174.700 -0.009 0.000 0.991 47 T CA -0.702 61.364 62.100 -0.056 0.000 1.001 47 T CB 1.498 70.274 68.868 -0.154 0.000 0.984 47 T HN 0.380 nan 8.240 nan 0.000 0.446 48 V N 4.153 124.016 119.914 -0.085 0.000 2.488 48 V HA 0.374 4.494 4.120 0.000 0.000 0.277 48 V C -0.690 175.347 176.094 -0.096 0.000 1.046 48 V CA -0.616 61.682 62.300 -0.004 0.000 0.986 48 V CB -0.280 31.524 31.823 -0.032 0.000 0.989 48 V HN 0.730 nan 8.190 nan 0.000 0.475 49 Y N 1.929 122.303 120.300 0.123 0.000 2.420 49 Y HA 0.646 5.196 4.550 0.000 0.000 0.334 49 Y C 0.679 176.642 175.900 0.105 0.000 1.094 49 Y CA -0.684 57.505 58.100 0.149 0.000 1.126 49 Y CB 2.082 40.695 38.460 0.255 0.000 1.217 49 Y HN 0.595 nan 8.280 nan 0.000 0.462 50 T N 4.668 119.369 114.554 0.246 0.000 2.879 50 T HA 0.683 5.033 4.350 0.000 0.000 0.290 50 T C -1.309 173.523 174.700 0.219 0.000 0.993 50 T CA -0.717 61.442 62.100 0.099 0.000 0.975 50 T CB 0.531 69.405 68.868 0.011 0.000 0.981 50 T HN 0.459 nan 8.240 nan 0.000 0.439 51 F N 0.880 120.823 119.950 -0.012 0.000 2.678 51 F HA 0.825 5.352 4.527 0.000 0.000 0.308 51 F C -0.911 174.874 175.800 -0.025 0.000 1.118 51 F CA -1.473 56.522 58.000 -0.007 0.000 0.959 51 F CB 0.626 39.625 39.000 -0.003 0.000 1.305 51 F HN 0.526 nan 8.300 nan 0.000 0.443 52 V N -0.270 119.721 119.914 0.128 0.000 3.229 52 V HA 1.138 5.258 4.120 0.000 0.000 0.310 52 V C -0.004 176.178 176.094 0.147 0.000 1.206 52 V CA -0.434 61.893 62.300 0.046 0.000 1.051 52 V CB 0.923 32.779 31.823 0.055 0.000 1.183 52 V HN 2.212 nan 8.190 nan 0.000 0.466 53 G N -0.226 108.634 108.800 0.100 0.000 2.357 53 G HA2 0.271 4.231 3.960 0.000 0.000 0.289 53 G HA3 0.271 4.231 3.960 0.000 0.000 0.289 53 G C -1.389 173.569 174.900 0.095 0.000 1.302 53 G CA -0.637 44.530 45.100 0.111 0.000 0.936 53 G HN 1.005 nan 8.290 nan 0.000 0.513 54 Q N 1.072 120.926 119.800 0.090 0.000 2.364 54 Q HA 0.373 4.713 4.340 0.000 0.000 0.267 54 Q C -1.097 174.961 176.000 0.095 0.000 0.999 54 Q CA -0.474 55.377 55.803 0.080 0.000 0.886 54 Q CB 1.044 29.822 28.738 0.066 0.000 1.243 54 Q HN 0.238 nan 8.270 nan 0.000 0.415 55 P HA -0.366 nan 4.420 nan 0.000 0.224 55 P C 0.646 178.003 177.300 0.096 0.000 1.130 55 P CA 2.075 65.227 63.100 0.088 0.000 0.976 55 P CB 0.108 31.842 31.700 0.058 0.000 0.781 56 E N -1.112 119.134 120.200 0.077 0.000 2.170 56 E HA -0.082 4.268 4.350 0.000 0.000 0.191 56 E C 2.091 178.749 176.600 0.097 0.000 0.981 56 E CA 1.073 57.518 56.400 0.075 0.000 0.830 56 E CB -1.416 28.315 29.700 0.052 0.000 0.775 56 E HN 0.253 nan 8.360 nan 0.000 0.470 57 C N 1.978 121.337 119.300 0.098 0.000 2.432 57 C HA -0.107 4.353 4.460 0.000 0.000 0.277 57 C C 3.007 178.085 174.990 0.148 0.000 1.249 57 C CA 1.099 60.177 59.018 0.101 0.000 1.725 57 C CB -1.216 26.579 27.740 0.091 0.000 2.028 57 C HN 0.484 nan 8.230 nan 0.000 0.477 58 V N 0.324 120.364 119.914 0.209 0.000 2.332 58 V HA -0.172 3.948 4.120 0.000 0.000 0.248 58 V C 2.222 178.528 176.094 0.353 0.000 1.055 58 V CA 2.299 64.811 62.300 0.353 0.000 1.038 58 V CB -1.456 30.534 31.823 0.279 0.000 0.651 58 V HN 0.388 nan 8.190 nan 0.000 0.450 59 V N 0.454 120.546 119.914 0.297 0.000 2.324 59 V HA -0.234 3.887 4.120 0.000 0.000 0.250 59 V C 2.932 179.150 176.094 0.208 0.000 1.060 59 V CA 2.372 64.835 62.300 0.272 0.000 1.042 59 V CB -0.866 31.061 31.823 0.173 0.000 0.650 59 V HN 0.598 nan 8.190 nan 0.000 0.450 60 E N 0.633 120.923 120.200 0.151 0.000 2.013 60 E HA -0.239 4.111 4.350 0.000 0.000 0.202 60 E C 2.388 179.028 176.600 0.067 0.000 1.018 60 E CA 1.820 58.281 56.400 0.102 0.000 0.834 60 E CB -1.023 28.715 29.700 0.063 0.000 0.770 60 E HN 0.597 nan 8.360 nan 0.000 0.459 61 G N 1.398 110.196 108.800 -0.002 0.000 2.505 61 G HA2 -0.301 3.659 3.960 0.000 0.000 0.220 61 G HA3 -0.301 3.659 3.960 0.000 0.000 0.220 61 G C 1.752 176.580 174.900 -0.120 0.000 1.145 61 G CA 2.111 47.094 45.100 -0.194 0.000 0.761 61 G HN 0.412 nan 8.290 nan 0.000 0.571 62 A N 0.977 123.837 122.820 0.068 0.000 1.849 62 A HA -0.053 4.267 4.320 0.000 0.000 0.217 62 A C 2.366 179.998 177.584 0.078 0.000 1.202 62 A CA 2.395 54.390 52.037 -0.070 0.000 0.629 62 A CB -0.607 18.147 19.000 -0.410 0.000 0.834 62 A HN 0.730 nan 8.150 nan 0.000 0.447 63 L N -1.658 119.770 121.223 0.342 0.000 2.341 63 L HA 0.181 4.521 4.340 0.000 0.000 0.214 63 L C 2.210 179.231 176.870 0.252 0.000 1.115 63 L CA 1.797 56.955 54.840 0.530 0.000 0.820 63 L CB -1.179 41.176 42.059 0.494 0.000 0.944 63 L HN 0.245 nan 8.230 nan 0.000 0.452 64 S N 0.371 116.153 115.700 0.137 0.000 2.423 64 S HA -0.032 4.438 4.470 0.000 0.000 0.231 64 S C 2.077 176.704 174.600 0.044 0.000 1.014 64 S CA 1.059 59.294 58.200 0.059 0.000 0.965 64 S CB -0.188 63.008 63.200 -0.006 0.000 0.785 64 S HN 0.580 nan 8.310 nan 0.000 0.495 65 A N 0.415 123.275 122.820 0.067 0.000 2.021 65 A HA 0.553 4.873 4.320 0.000 0.000 0.216 65 A C 2.273 180.014 177.584 0.262 0.000 1.163 65 A CA 1.095 53.170 52.037 0.063 0.000 0.676 65 A CB -0.820 18.207 19.000 0.045 0.000 0.818 65 A HN 0.661 nan 8.150 nan 0.000 0.453 66 A N 0.972 124.027 122.820 0.392 0.000 1.970 66 A HA -0.068 4.252 4.320 0.000 0.000 0.216 66 A C 2.144 179.972 177.584 0.407 0.000 1.170 66 A CA 1.182 53.536 52.037 0.528 0.000 0.645 66 A CB -0.392 18.942 19.000 0.556 0.000 0.816 66 A HN 0.648 nan 8.150 nan 0.000 0.447 67 R N -1.148 119.496 120.500 0.241 0.000 2.276 67 R HA 0.045 4.385 4.340 0.000 0.000 0.203 67 R C 1.090 177.461 176.300 0.118 0.000 1.017 67 R CA 1.562 57.758 56.100 0.161 0.000 1.010 67 R CB -0.673 29.685 30.300 0.097 0.000 0.900 67 R HN 0.256 nan 8.270 nan 0.000 0.469 68 T N 0.463 115.067 114.554 0.084 0.000 3.031 68 T HA 0.212 4.562 4.350 0.000 0.000 0.254 68 T C 1.913 176.606 174.700 -0.011 0.000 1.060 68 T CA 0.684 62.790 62.100 0.009 0.000 1.135 68 T CB 0.347 69.183 68.868 -0.054 0.000 0.896 68 T HN 0.399 nan 8.240 nan 0.000 0.472 69 A N 2.004 124.824 122.820 0.000 0.000 2.016 69 A HA 0.025 4.345 4.320 0.000 0.000 0.217 69 A C 2.500 180.138 177.584 0.089 0.000 1.162 69 A CA 1.594 53.610 52.037 -0.036 0.000 0.662 69 A CB -0.799 18.164 19.000 -0.061 0.000 0.812 69 A HN 0.527 nan 8.150 nan 0.000 0.450 70 S N -0.084 115.796 115.700 0.299 0.000 2.369 70 S HA -0.230 4.240 4.470 0.000 0.000 0.225 70 S C 1.260 175.998 174.600 0.229 0.000 1.043 70 S CA 1.577 60.055 58.200 0.463 0.000 1.074 70 S CB -0.483 62.962 63.200 0.408 0.000 0.962 70 S HN 0.484 nan 8.310 nan 0.000 0.433 71 Q N 0.720 120.601 119.800 0.134 0.000 2.412 71 Q HA 0.499 4.839 4.340 0.000 0.000 0.298 71 Q C 0.339 176.362 176.000 0.038 0.000 0.938 71 Q CA 0.117 55.968 55.803 0.079 0.000 0.968 71 Q CB 0.279 29.052 28.738 0.058 0.000 1.187 71 Q HN 0.650 nan 8.270 nan 0.000 0.421 72 L N -1.078 120.159 121.223 0.024 0.000 3.927 72 L HA 0.351 4.691 4.340 0.000 0.000 0.374 72 L C -0.301 176.549 176.870 -0.033 0.000 1.168 72 L CA 0.235 55.066 54.840 -0.015 0.000 1.318 72 L CB 1.124 43.156 42.059 -0.046 0.000 1.640 72 L HN 0.096 nan 8.230 nan 0.000 0.634 73 I N 0.224 120.772 120.570 -0.037 0.000 2.478 73 I HA 0.285 4.455 4.170 0.000 0.000 0.287 73 I C -0.982 175.107 176.117 -0.047 0.000 1.042 73 I CA -0.523 60.734 61.300 -0.071 0.000 1.067 73 I CB 2.123 40.032 38.000 -0.151 0.000 1.233 73 I HN -0.059 nan 8.210 nan 0.000 0.431 77 K N 1.452 121.884 120.400 0.053 0.000 2.500 77 K HA 0.160 4.480 4.320 0.000 0.000 0.206 77 K C -0.632 175.991 176.600 0.039 0.000 1.034 77 K CA -0.041 56.269 56.287 0.038 0.000 1.179 77 K CB 0.340 32.858 32.500 0.030 0.000 0.884 77 K HN 0.105 nan 8.250 nan 0.000 0.493 78 H N 0.620 119.636 119.070 -0.090 0.000 2.457 78 H HA 0.328 4.884 4.556 0.000 0.000 0.335 78 H C -1.207 174.066 175.328 -0.091 0.000 1.115 78 H CA -0.316 55.664 56.048 -0.115 0.000 1.219 78 H CB 0.927 30.575 29.762 -0.190 0.000 1.471 78 H HN -0.217 nan 8.280 nan 0.000 0.491 79 K N 3.897 123.800 120.400 -0.828 0.000 2.767 79 K HA 0.322 4.642 4.320 0.000 0.000 0.286 79 K C -1.026 175.273 176.600 -0.502 0.000 1.177 79 K CA -0.216 55.744 56.287 -0.545 0.000 1.078 79 K CB 1.194 33.571 32.500 -0.204 0.000 1.358 79 K HN 0.830 nan 8.250 nan 0.000 0.531 80 G N 0.837 109.313 108.800 -0.540 0.000 2.461 80 G HA2 0.223 4.183 3.960 0.000 0.000 0.329 80 G HA3 0.223 4.183 3.960 0.000 0.000 0.329 80 G C -0.232 174.645 174.900 -0.039 0.000 1.170 80 G CA -0.549 44.449 45.100 -0.171 0.000 0.935 80 G HN 0.512 nan 8.290 nan 0.000 0.492 81 E N -0.099 120.113 120.200 0.020 0.000 2.330 81 E HA 0.076 4.426 4.350 0.000 0.000 0.210 81 E C -0.588 176.094 176.600 0.135 0.000 1.256 81 E CA 0.075 56.506 56.400 0.052 0.000 1.346 81 E CB -0.068 29.657 29.700 0.042 0.000 1.308 81 E HN 0.440 nan 8.360 nan 0.000 0.441 82 H N -0.664 118.413 119.070 0.012 0.000 2.877 82 H HA 0.222 4.778 4.556 0.000 0.000 0.347 82 H C -2.610 172.735 175.328 0.029 0.000 1.042 82 H CA -2.546 53.513 56.048 0.019 0.000 1.276 82 H CB 1.333 31.108 29.762 0.022 0.000 1.681 82 H HN -0.152 nan 8.280 nan 0.000 0.521 83 P HA -0.109 nan 4.420 nan 0.000 0.188 83 P C -0.008 177.134 177.300 -0.264 0.000 1.353 83 P CA 0.198 63.118 63.100 -0.299 0.000 1.027 83 P CB -0.460 31.054 31.700 -0.309 0.000 1.709 87 A N -1.193 121.221 122.820 -0.678 0.000 2.030 87 A HA 0.590 4.910 4.320 0.000 0.000 0.215 87 A C 0.879 178.215 177.584 -0.414 0.000 1.164 87 A CA 0.822 52.459 52.037 -0.667 0.000 0.697 87 A CB -0.145 18.250 19.000 -1.008 0.000 0.827 87 A HN 0.668 nan 8.150 nan 0.000 0.457 88 L N 1.025 121.997 121.223 -0.418 0.000 2.366 88 L HA 0.276 4.616 4.340 0.000 0.000 0.266 88 L C -0.201 176.608 176.870 -0.102 0.000 1.010 88 L CA -0.502 54.149 54.840 -0.314 0.000 0.879 88 L CB 1.028 42.952 42.059 -0.225 0.000 1.228 88 L HN 0.278 nan 8.230 nan 0.000 0.439 89 D N 1.121 121.460 120.400 -0.101 0.000 1.802 89 D HA -0.050 4.590 4.640 0.000 0.000 0.271 89 D C 0.215 176.519 176.300 0.006 0.000 1.069 89 D CA 0.438 54.423 54.000 -0.024 0.000 0.950 89 D CB 0.483 41.264 40.800 -0.032 0.000 1.260 89 D HN 0.272 nan 8.370 nan 0.000 0.448 90 V N 0.250 120.156 119.914 -0.013 0.000 2.617 90 V HA 0.005 4.125 4.120 0.000 0.000 0.304 90 V C -0.199 175.934 176.094 0.066 0.000 1.040 90 V CA -0.219 62.094 62.300 0.023 0.000 1.149 90 V CB 0.509 32.268 31.823 -0.107 0.000 0.914 90 V HN 0.522 nan 8.190 nan 0.000 0.487 91 C N 9.677 129.094 119.300 0.194 0.000 2.653 91 C HA 0.719 5.179 4.460 0.000 0.000 0.291 91 C C -2.434 172.705 174.990 0.248 0.000 1.064 91 C CA -1.376 57.719 59.018 0.129 0.000 1.469 91 C CB 0.542 28.394 27.740 0.185 0.000 1.861 91 C HN 0.994 nan 8.230 nan 0.000 0.434 92 P HA 0.580 nan 4.420 nan 0.000 0.283 92 P C -1.232 176.004 177.300 -0.108 0.000 1.271 92 P CA -0.473 62.739 63.100 0.188 0.000 0.841 92 P CB 1.179 32.984 31.700 0.174 0.000 1.122 93 F N 1.307 121.207 119.950 -0.084 0.000 2.553 93 F HA 0.401 4.928 4.527 0.000 0.000 0.335 93 F C 0.290 176.042 175.800 -0.079 0.000 1.148 93 F CA -0.692 57.244 58.000 -0.107 0.000 0.963 93 F CB 1.144 40.094 39.000 -0.082 0.000 1.217 93 F HN 0.072 nan 8.300 nan 0.000 0.441 94 I N 2.178 122.759 120.570 0.018 0.000 2.603 94 I HA 0.623 4.793 4.170 0.000 0.000 0.300 94 I C -2.774 173.399 176.117 0.093 0.000 1.017 94 I CA -2.582 58.745 61.300 0.045 0.000 1.098 94 I CB 1.963 39.958 38.000 -0.008 0.000 1.279 94 I HN 0.170 nan 8.210 nan 0.000 0.437 95 P HA 0.254 nan 4.420 nan 0.000 0.277 95 P C 0.083 177.503 177.300 0.199 0.000 1.240 95 P CA -0.195 62.986 63.100 0.135 0.000 0.798 95 P CB 2.400 34.167 31.700 0.111 0.000 0.979 96 V N 1.336 121.341 119.914 0.152 0.000 3.102 96 V HA 0.199 4.319 4.120 0.000 0.000 0.225 96 V C 0.799 176.950 176.094 0.095 0.000 1.301 96 V CA 0.857 63.243 62.300 0.144 0.000 1.308 96 V CB -0.101 31.799 31.823 0.129 0.000 1.129 96 V HN 0.663 nan 8.190 nan 0.000 0.502 97 R N -0.950 119.598 120.500 0.080 0.000 2.626 97 R HA 0.667 5.007 4.340 0.000 0.000 0.274 97 R C 0.636 176.970 176.300 0.056 0.000 1.031 97 R CA 0.163 56.302 56.100 0.064 0.000 0.898 97 R CB 1.556 31.887 30.300 0.052 0.000 1.222 97 R HN 0.436 nan 8.270 nan 0.000 0.455 98 G N 1.138 109.967 108.800 0.048 0.000 3.078 98 G HA2 -0.344 3.617 3.960 0.000 0.000 0.227 98 G HA3 -0.344 3.617 3.960 0.000 0.000 0.227 98 G C 0.104 175.028 174.900 0.039 0.000 1.306 98 G CA 0.296 45.420 45.100 0.039 0.000 0.841 98 G HN 0.868 nan 8.290 nan 0.000 0.530 99 V N 2.242 122.184 119.914 0.047 0.000 2.572 99 V HA 0.617 4.737 4.120 0.000 0.000 0.291 99 V C 0.865 176.986 176.094 0.045 0.000 1.039 99 V CA 1.012 63.340 62.300 0.046 0.000 1.055 99 V CB 1.347 33.203 31.823 0.055 0.000 0.969 99 V HN 1.120 nan 8.190 nan 0.000 0.482 103 E N 0.720 120.926 120.200 0.010 0.000 2.028 103 E HA -0.101 4.249 4.350 0.000 0.000 0.191 103 E C 1.926 178.529 176.600 0.005 0.000 0.988 103 E CA 1.377 57.783 56.400 0.011 0.000 0.799 103 E CB 0.117 29.831 29.700 0.022 0.000 0.755 103 E HN 0.206 nan 8.360 nan 0.000 0.447 104 C N 0.490 119.803 119.300 0.020 0.000 2.403 104 C HA -0.113 4.347 4.460 0.000 0.000 0.279 104 C C 2.655 177.635 174.990 -0.017 0.000 1.269 104 C CA 0.332 59.368 59.018 0.030 0.000 1.774 104 C CB -0.861 26.914 27.740 0.059 0.000 1.993 104 C HN 0.268 nan 8.230 nan 0.000 0.496 105 V N 0.402 120.303 119.914 -0.021 0.000 2.427 105 V HA -0.163 3.957 4.120 0.000 0.000 0.248 105 V C 2.406 178.472 176.094 -0.047 0.000 1.051 105 V CA 1.430 63.709 62.300 -0.034 0.000 1.048 105 V CB -0.567 31.246 31.823 -0.018 0.000 0.666 105 V HN 0.470 nan 8.190 nan 0.000 0.456 106 L N -0.561 120.638 121.223 -0.040 0.000 2.240 106 L HA -0.084 4.256 4.340 0.000 0.000 0.211 106 L C 2.477 179.291 176.870 -0.093 0.000 1.106 106 L CA 1.530 56.344 54.840 -0.043 0.000 0.793 106 L CB -1.169 40.879 42.059 -0.018 0.000 0.927 106 L HN 0.479 nan 8.230 nan 0.000 0.446 107 C N -0.388 118.828 119.300 -0.140 0.000 2.446 107 C HA -0.071 4.389 4.460 0.000 0.000 0.277 107 C C 3.014 177.705 174.990 -0.498 0.000 1.275 107 C CA 0.537 59.393 59.018 -0.271 0.000 1.727 107 C CB -1.163 26.418 27.740 -0.265 0.000 2.010 107 C HN 0.579 nan 8.230 nan 0.000 0.486 108 A N 0.972 123.517 122.820 -0.458 0.000 1.940 108 A HA -0.176 4.144 4.320 0.000 0.000 0.219 108 A C 2.158 179.601 177.584 -0.234 0.000 1.176 108 A CA 1.596 53.397 52.037 -0.393 0.000 0.631 108 A CB -0.359 18.535 19.000 -0.178 0.000 0.814 108 A HN 0.563 nan 8.150 nan 0.000 0.446 109 K N -0.074 120.243 120.400 -0.138 0.000 2.097 109 K HA -0.043 4.277 4.320 0.000 0.000 0.206 109 K C 2.230 178.731 176.600 -0.166 0.000 1.049 109 K CA 1.275 57.531 56.287 -0.052 0.000 0.933 109 K CB -0.661 31.863 32.500 0.041 0.000 0.717 109 K HN 0.479 nan 8.250 nan 0.000 0.442 110 A N 1.112 123.834 122.820 -0.163 0.000 1.832 110 A HA -0.129 4.191 4.320 0.000 0.000 0.214 110 A C 2.097 179.582 177.584 -0.165 0.000 1.204 110 A CA 1.004 52.962 52.037 -0.131 0.000 0.606 110 A CB -0.871 18.083 19.000 -0.076 0.000 0.849 110 A HN 0.234 nan 8.150 nan 0.000 0.445 111 F N 1.496 121.251 119.950 -0.325 0.000 2.065 111 F HA -0.148 4.379 4.527 0.000 0.000 0.298 111 F C 2.351 177.957 175.800 -0.322 0.000 1.112 111 F CA 1.625 59.475 58.000 -0.250 0.000 1.212 111 F CB -0.951 37.911 39.000 -0.230 0.000 0.975 111 F HN 0.199 nan 8.300 nan 0.000 0.476 112 G N -0.672 107.765 108.800 -0.606 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 1.553 175.660 174.900 -1.323 0.000 1.164 112 G CA 0.976 45.477 45.100 -0.998 0.000 0.768 112 G HN 0.509 nan 8.290 nan 0.000 0.560 113 Q N -0.224 118.803 119.800 -1.288 0.000 1.916 113 Q HA -0.025 4.315 4.340 0.000 0.000 0.203 113 Q C 2.764 178.578 176.000 -0.310 0.000 0.983 113 Q CA 0.948 56.399 55.803 -0.586 0.000 0.846 113 Q CB -0.134 28.544 28.738 -0.099 0.000 0.909 113 Q HN 0.362 nan 8.270 nan 0.000 0.427 114 R N 0.069 120.424 120.500 -0.242 0.000 2.226 114 R HA -0.205 4.135 4.340 0.000 0.000 0.246 114 R C 2.232 178.406 176.300 -0.211 0.000 1.161 114 R CA 1.213 57.219 56.100 -0.157 0.000 0.997 114 R CB -0.299 29.954 30.300 -0.078 0.000 0.870 114 R HN 0.307 nan 8.270 nan 0.000 0.465 115 L N -0.259 120.732 121.223 -0.386 0.000 2.062 115 L HA 0.068 4.408 4.340 0.000 0.000 0.202 115 L C 2.145 178.805 176.870 -0.351 0.000 1.079 115 L CA 1.883 56.457 54.840 -0.443 0.000 0.755 115 L CB -0.701 40.850 42.059 -0.846 0.000 0.913 115 L HN 0.052 nan 8.230 nan 0.000 0.445 116 A N -0.681 121.928 122.820 -0.352 0.000 2.131 116 A HA -0.169 4.151 4.320 0.000 0.000 0.220 116 A C 2.033 179.512 177.584 -0.175 0.000 1.158 116 A CA 1.669 53.551 52.037 -0.259 0.000 0.665 116 A CB -0.583 18.313 19.000 -0.172 0.000 0.795 116 A HN 0.643 nan 8.150 nan 0.000 0.460 117 E N 0.053 120.165 120.200 -0.147 0.000 2.021 117 E HA -0.122 4.228 4.350 0.000 0.000 0.189 117 E C 1.582 178.122 176.600 -0.100 0.000 0.980 117 E CA 1.042 57.385 56.400 -0.094 0.000 0.803 117 E CB -0.496 29.164 29.700 -0.066 0.000 0.766 117 E HN 0.755 nan 8.360 nan 0.000 0.449 118 E N 0.226 120.358 120.200 -0.112 0.000 2.516 118 E HA -0.004 4.346 4.350 0.000 0.000 0.199 118 E C 1.748 178.282 176.600 -0.110 0.000 1.069 118 E CA 0.185 56.532 56.400 -0.088 0.000 0.876 118 E CB 0.250 29.910 29.700 -0.065 0.000 0.843 118 E HN 0.142 nan 8.360 nan 0.000 0.530 119 L N -0.583 120.536 121.223 -0.173 0.000 2.641 119 L HA 0.140 4.480 4.340 0.000 0.000 0.207 119 L C 0.278 177.031 176.870 -0.195 0.000 1.049 119 L CA -0.088 54.620 54.840 -0.220 0.000 0.866 119 L CB 0.658 42.468 42.059 -0.414 0.000 1.264 119 L HN -0.019 nan 8.230 nan 0.000 0.483 120 N N 1.092 119.673 118.700 -0.199 0.000 2.682 120 N HA -0.113 4.627 4.740 0.000 0.000 0.269 120 N C -1.194 174.189 175.510 -0.212 0.000 1.193 120 N CA 0.748 53.704 53.050 -0.157 0.000 0.660 120 N CB -0.582 37.850 38.487 -0.092 0.000 0.905 120 N HN 0.149 nan 8.380 nan 0.000 0.558 121 V N -0.556 119.195 119.914 -0.272 0.000 3.120 121 V HA 0.764 4.884 4.120 0.000 0.000 0.303 121 V C -2.666 173.272 176.094 -0.260 0.000 1.238 121 V CA -1.876 60.230 62.300 -0.322 0.000 1.008 121 V CB 2.159 33.569 31.823 -0.688 0.000 1.064 121 V HN 0.071 nan 8.190 nan 0.000 0.434 122 P HA 0.416 nan 4.420 nan 0.000 0.276 122 P C -0.823 176.190 177.300 -0.479 0.000 1.253 122 P CA 0.070 62.984 63.100 -0.309 0.000 0.766 122 P CB 1.263 32.818 31.700 -0.242 0.000 0.845 123 V N 6.253 125.862 119.914 -0.508 0.000 2.577 123 V HA 0.560 4.680 4.120 0.000 0.000 0.303 123 V C -1.724 174.149 176.094 -0.369 0.000 1.042 123 V CA -0.767 61.263 62.300 -0.449 0.000 0.872 123 V CB 0.810 32.501 31.823 -0.220 0.000 0.998 123 V HN 0.321 nan 8.190 nan 0.000 0.423 124 Y N 6.306 126.709 120.300 0.172 0.000 2.364 124 Y HA 0.663 5.213 4.550 0.000 0.000 0.340 124 Y C 0.228 176.273 175.900 0.242 0.000 0.975 124 Y CA -1.463 56.765 58.100 0.214 0.000 1.089 124 Y CB 1.268 39.849 38.460 0.201 0.000 1.192 124 Y HN 0.775 nan 8.280 nan 0.000 0.454 125 L N 2.714 124.176 121.223 0.398 0.000 2.371 125 L HA 0.666 5.006 4.340 0.000 0.000 0.272 125 L C -0.744 176.320 176.870 0.324 0.000 1.124 125 L CA -0.779 54.253 54.840 0.321 0.000 0.816 125 L CB 0.646 42.853 42.059 0.247 0.000 1.129 125 L HN 0.803 nan 8.230 nan 0.000 0.448 126 Y N 2.111 122.515 120.300 0.173 0.000 2.686 126 Y HA 0.902 5.452 4.550 0.000 0.000 0.330 126 Y C 0.612 176.576 175.900 0.106 0.000 1.082 126 Y CA -0.166 58.015 58.100 0.135 0.000 1.158 126 Y CB 0.834 39.372 38.460 0.130 0.000 1.333 126 Y HN 1.105 nan 8.280 nan 0.000 0.519 127 G N 1.165 109.919 108.800 -0.077 0.000 2.552 127 G HA2 -0.293 3.667 3.960 0.000 0.000 0.265 127 G HA3 -0.293 3.667 3.960 0.000 0.000 0.265 127 G C 0.428 175.252 174.900 -0.126 0.000 1.234 127 G CA 0.353 45.323 45.100 -0.215 0.000 0.944 127 G HN 0.809 nan 8.290 nan 0.000 0.568 128 E N 0.989 121.108 120.200 -0.136 0.000 2.492 128 E HA 0.022 4.372 4.350 0.000 0.000 0.204 128 E C 2.050 178.614 176.600 -0.060 0.000 1.073 128 E CA 1.461 57.819 56.400 -0.070 0.000 0.887 128 E CB -0.440 29.226 29.700 -0.057 0.000 0.813 128 E HN 0.784 nan 8.360 nan 0.000 0.562 129 A N 1.414 124.184 122.820 -0.084 0.000 2.383 129 A HA 0.461 4.781 4.320 0.000 0.000 0.225 129 A C 1.026 178.621 177.584 0.018 0.000 1.946 129 A CA 0.392 52.410 52.037 -0.031 0.000 0.739 129 A CB -0.826 18.151 19.000 -0.038 0.000 1.405 129 A HN 0.192 nan 8.150 nan 0.000 0.548 130 A N 0.113 122.967 122.820 0.056 0.000 2.583 130 A HA 0.071 4.391 4.320 0.000 0.000 0.254 130 A C 0.265 177.881 177.584 0.053 0.000 0.960 130 A CA 0.966 53.057 52.037 0.091 0.000 0.904 130 A CB -0.485 18.591 19.000 0.127 0.000 0.827 130 A HN 0.623 nan 8.150 nan 0.000 0.450 134 S N -1.442 114.252 115.700 -0.010 0.000 2.684 134 S HA 0.219 4.689 4.470 0.000 0.000 0.268 134 S C 1.304 175.920 174.600 0.027 0.000 1.075 134 S CA -0.497 57.691 58.200 -0.021 0.000 1.184 134 S CB 0.509 63.649 63.200 -0.099 0.000 1.129 134 S HN 0.072 nan 8.310 nan 0.000 0.630 135 R N 1.406 121.943 120.500 0.061 0.000 2.365 135 R HA 0.187 4.527 4.340 0.000 0.000 0.223 135 R C 2.045 178.453 176.300 0.180 0.000 0.899 135 R CA 0.520 56.697 56.100 0.128 0.000 1.059 135 R CB 0.059 30.445 30.300 0.143 0.000 1.086 135 R HN 0.644 nan 8.270 nan 0.000 0.522 136 Q N 0.219 120.104 119.800 0.142 0.000 2.167 136 Q HA -0.054 4.286 4.340 0.000 0.000 0.202 136 Q C 0.761 176.895 176.000 0.223 0.000 0.970 136 Q CA 1.226 57.130 55.803 0.168 0.000 0.855 136 Q CB -0.284 28.511 28.738 0.094 0.000 0.911 136 Q HN -0.081 nan 8.270 nan 0.000 0.438 137 T N 0.624 115.268 114.554 0.151 0.000 2.752 137 T HA 0.185 4.535 4.350 0.000 0.000 0.295 137 T C 0.777 175.531 174.700 0.090 0.000 0.923 137 T CA -0.582 61.589 62.100 0.118 0.000 1.112 137 T CB 0.772 69.685 68.868 0.075 0.000 0.884 137 T HN 0.360 nan 8.240 nan 0.000 0.525 138 L N 7.876 129.110 121.223 0.018 0.000 2.017 138 L HA 0.181 4.521 4.340 0.000 0.000 0.208 138 L C -0.675 176.129 176.870 -0.110 0.000 1.073 138 L CA 1.641 56.374 54.840 -0.177 0.000 0.745 138 L CB -1.127 40.666 42.059 -0.443 0.000 0.894 138 L HN 0.510 nan 8.230 nan 0.000 0.432 139 P HA -0.164 nan 4.420 nan 0.000 0.219 139 P C 1.385 178.669 177.300 -0.026 0.000 1.146 139 P CA 1.863 64.932 63.100 -0.051 0.000 0.808 139 P CB -0.211 31.474 31.700 -0.025 0.000 0.779 140 A N -0.267 122.565 122.820 0.019 0.000 1.898 140 A HA -0.124 4.196 4.320 0.000 0.000 0.216 140 A C 2.292 179.934 177.584 0.096 0.000 1.181 140 A CA 1.140 53.227 52.037 0.084 0.000 0.620 140 A CB -1.481 17.593 19.000 0.123 0.000 0.819 140 A HN 0.115 nan 8.150 nan 0.000 0.442 141 I N -0.534 120.053 120.570 0.028 0.000 2.252 141 I HA -0.152 4.019 4.170 0.000 0.000 0.245 141 I C 1.522 177.433 176.117 -0.343 0.000 1.102 141 I CA 0.777 61.987 61.300 -0.150 0.000 1.385 141 I CB -0.101 37.822 38.000 -0.128 0.000 1.064 141 I HN 0.152 nan 8.210 nan 0.000 0.414 142 R N 1.552 121.929 120.500 -0.204 0.000 4.966 142 R HA -0.005 4.335 4.340 0.000 0.000 0.172 142 R C 0.635 176.812 176.300 -0.205 0.000 2.262 142 R CA 0.159 56.148 56.100 -0.185 0.000 1.794 142 R CB -0.667 29.554 30.300 -0.133 0.000 1.291 142 R HN 0.278 nan 8.270 nan 0.000 0.803 143 A N 1.119 123.730 122.820 -0.348 0.000 3.078 143 A HA 0.137 4.458 4.320 0.000 0.000 0.258 143 A C 1.272 178.736 177.584 -0.199 0.000 1.971 143 A CA 0.737 52.575 52.037 -0.331 0.000 1.524 143 A CB -0.790 17.803 19.000 -0.679 0.000 0.871 143 A HN 0.697 nan 8.150 nan 0.000 0.609 144 G N 0.254 108.980 108.800 -0.123 0.000 2.171 144 G HA2 -0.123 3.837 3.960 0.000 0.000 0.238 144 G HA3 -0.123 3.837 3.960 0.000 0.000 0.238 144 G C 0.109 174.975 174.900 -0.058 0.000 1.039 144 G CA 0.707 45.762 45.100 -0.076 0.000 0.759 144 G HN 2.068 nan 8.290 nan 0.000 0.501 145 E N -3.346 116.816 120.200 -0.063 0.000 3.562 145 E HA -0.484 3.866 4.350 0.000 0.000 0.277 145 E C 0.986 177.630 176.600 0.074 0.000 1.503 145 E CA 1.180 57.580 56.400 -0.001 0.000 2.178 145 E CB -1.120 28.592 29.700 0.020 0.000 2.019 145 E HN 1.170 nan 8.360 nan 0.000 0.466 146 Y N 1.967 122.269 120.300 0.004 0.000 1.997 146 Y HA -0.215 4.335 4.550 0.000 0.000 0.265 146 Y C 0.912 176.860 175.900 0.080 0.000 1.193 146 Y CA 2.622 60.757 58.100 0.059 0.000 1.106 146 Y CB -0.713 37.803 38.460 0.095 0.000 0.940 146 Y HN 0.489 nan 8.280 nan 0.000 0.494 147 E N 0.057 120.209 120.200 -0.080 0.000 1.791 147 E HA 0.411 4.762 4.350 0.000 0.000 0.263 147 E C 0.410 176.958 176.600 -0.087 0.000 1.213 147 E CA 0.553 56.867 56.400 -0.143 0.000 0.991 147 E CB 0.202 29.851 29.700 -0.084 0.000 1.068 147 E HN 0.432 nan 8.360 nan 0.000 0.417 148 A N 2.010 124.759 122.820 -0.119 0.000 1.621 148 A HA 0.110 4.430 4.320 0.000 0.000 0.212 148 A C 1.432 178.897 177.584 -0.199 0.000 1.760 148 A CA -0.294 51.648 52.037 -0.158 0.000 1.251 148 A CB -0.404 18.468 19.000 -0.213 0.000 1.168 148 A HN 0.425 nan 8.150 nan 0.000 0.463 149 L N 1.183 122.208 121.223 -0.330 0.000 2.197 149 L HA -0.110 4.230 4.340 0.000 0.000 0.215 149 L C -0.876 175.777 176.870 -0.362 0.000 1.095 149 L CA 1.617 56.111 54.840 -0.576 0.000 0.764 149 L CB -1.116 40.215 42.059 -1.214 0.000 0.897 149 L HN 0.339 nan 8.230 nan 0.000 0.436 150 P HA -0.146 nan 4.420 nan 0.000 0.242 150 P C 0.452 177.814 177.300 0.103 0.000 1.198 150 P CA 1.398 64.670 63.100 0.288 0.000 0.756 150 P CB 0.018 31.861 31.700 0.239 0.000 0.911 151 E N -1.848 118.364 120.200 0.019 0.000 2.624 151 E HA 0.115 4.465 4.350 0.000 0.000 0.192 151 E C 1.442 178.050 176.600 0.012 0.000 0.961 151 E CA -0.394 56.020 56.400 0.023 0.000 1.632 151 E CB -0.440 29.274 29.700 0.024 0.000 2.082 151 E HN -0.058 nan 8.360 nan 0.000 1.040 152 K N 1.367 121.736 120.400 -0.052 0.000 2.314 152 K HA 0.110 4.430 4.320 0.000 0.000 0.198 152 K C 1.419 178.033 176.600 0.023 0.000 1.045 152 K CA 0.652 56.909 56.287 -0.049 0.000 0.988 152 K CB 0.263 32.584 32.500 -0.297 0.000 0.783 152 K HN 0.169 nan 8.250 nan 0.000 0.484 153 L N -0.453 120.752 121.223 -0.030 0.000 2.660 153 L HA 0.211 4.551 4.340 0.000 0.000 0.238 153 L C 0.304 177.211 176.870 0.061 0.000 1.161 153 L CA 1.072 55.930 54.840 0.031 0.000 0.937 153 L CB -0.893 41.126 42.059 -0.066 0.000 1.122 153 L HN -0.098 nan 8.230 nan 0.000 0.435 154 K N 0.913 121.357 120.400 0.074 0.000 3.253 154 K HA 0.370 4.690 4.320 0.000 0.000 0.174 154 K C -0.842 175.812 176.600 0.090 0.000 1.071 154 K CA 0.033 56.364 56.287 0.074 0.000 0.836 154 K CB 0.490 33.026 32.500 0.060 0.000 0.922 154 K HN 0.414 nan 8.250 nan 0.000 0.565 155 Q N 0.073 119.948 119.800 0.124 0.000 2.263 155 Q HA 0.314 4.654 4.340 0.000 0.000 0.266 155 Q C 0.327 176.380 176.000 0.088 0.000 1.002 155 Q CA -0.296 55.578 55.803 0.119 0.000 0.790 155 Q CB 2.007 30.858 28.738 0.189 0.000 1.272 155 Q HN 0.420 nan 8.270 nan 0.000 0.435 156 A N 2.387 125.231 122.820 0.040 0.000 2.054 156 A HA -0.299 4.021 4.320 0.000 0.000 0.223 156 A C 1.711 179.280 177.584 -0.025 0.000 1.169 156 A CA 2.302 54.345 52.037 0.009 0.000 0.655 156 A CB -0.204 18.793 19.000 -0.006 0.000 0.812 156 A HN 0.881 nan 8.150 nan 0.000 0.462 157 E N -1.378 118.788 120.200 -0.057 0.000 2.006 157 E HA -0.182 4.168 4.350 0.000 0.000 0.192 157 E C 1.069 177.528 176.600 -0.235 0.000 0.993 157 E CA 0.942 57.220 56.400 -0.203 0.000 0.808 157 E CB -0.190 29.341 29.700 -0.281 0.000 0.764 157 E HN 0.795 nan 8.360 nan 0.000 0.449 158 W N 1.602 122.901 121.300 -0.002 0.000 3.433 158 W HA 0.188 4.848 4.660 0.000 0.000 0.376 158 W C -0.338 176.227 176.519 0.076 0.000 1.160 158 W CA -0.820 56.527 57.345 0.003 0.000 1.832 158 W CB 0.375 29.821 29.460 -0.023 0.000 1.011 158 W HN -0.135 nan 8.180 nan 0.000 0.766 159 V N 3.378 123.425 119.914 0.221 0.000 2.539 159 V HA -0.085 4.035 4.120 0.000 0.000 0.300 159 V C -1.531 174.726 176.094 0.273 0.000 1.019 159 V CA -1.107 61.305 62.300 0.186 0.000 1.160 159 V CB -0.193 31.679 31.823 0.081 0.000 0.901 159 V HN -0.135 nan 8.190 nan 0.000 0.481 160 P HA 0.146 nan 4.420 nan 0.000 0.268 160 P C 0.027 177.397 177.300 0.117 0.000 1.205 160 P CA -0.178 63.071 63.100 0.248 0.000 0.771 160 P CB 0.558 32.199 31.700 -0.097 0.000 0.858 161 D N 0.956 121.454 120.400 0.163 0.000 2.269 161 D HA 0.029 4.669 4.640 0.000 0.000 0.208 161 D C 0.054 176.214 176.300 -0.234 0.000 0.963 161 D CA 1.434 55.445 54.000 0.018 0.000 0.864 161 D CB -0.195 40.697 40.800 0.152 0.000 0.936 161 D HN 0.319 nan 8.370 nan 0.000 0.505 162 F N -1.166 118.741 119.950 -0.072 0.000 2.626 162 F HA 0.532 5.059 4.527 0.000 0.000 0.311 162 F C 0.452 176.152 175.800 -0.167 0.000 1.088 162 F CA -0.748 57.185 58.000 -0.112 0.000 0.949 162 F CB 2.147 41.068 39.000 -0.132 0.000 1.322 162 F HN -0.051 nan 8.300 nan 0.000 0.461 163 G N 2.555 111.390 108.800 0.059 0.000 2.850 163 G HA2 -0.082 3.878 3.960 0.000 0.000 0.686 163 G HA3 -0.082 3.878 3.960 0.000 0.000 0.686 163 G C -2.522 172.343 174.900 -0.058 0.000 1.164 163 G CA -1.125 43.946 45.100 -0.049 0.000 0.826 163 G HN 0.468 nan 8.290 nan 0.000 0.586 164 P HA -0.108 nan 4.420 nan 0.000 0.225 164 P C 1.315 178.603 177.300 -0.019 0.000 0.928 164 P CA 2.254 65.336 63.100 -0.031 0.000 1.055 164 P CB 0.039 31.723 31.700 -0.027 0.000 0.635 165 S N -4.513 111.181 115.700 -0.010 0.000 2.708 165 S HA 0.095 4.565 4.470 0.000 0.000 0.214 165 S C 0.137 174.746 174.600 0.015 0.000 0.820 165 S CA -0.295 57.910 58.200 0.008 0.000 1.439 165 S CB -0.355 62.861 63.200 0.027 0.000 1.275 165 S HN 0.184 nan 8.310 nan 0.000 0.588 166 S N 1.265 116.974 115.700 0.015 0.000 2.603 166 S HA 0.688 5.158 4.470 0.000 0.000 0.268 166 S C -0.998 173.676 174.600 0.123 0.000 1.317 166 S CA -0.001 58.238 58.200 0.065 0.000 1.012 166 S CB 0.327 63.555 63.200 0.046 0.000 0.926 166 S HN 0.269 nan 8.310 nan 0.000 0.539 167 F N 3.432 123.395 119.950 0.022 0.000 2.458 167 F HA 0.598 5.125 4.527 0.000 0.000 0.336 167 F C -0.660 175.174 175.800 0.057 0.000 1.114 167 F CA -1.395 56.631 58.000 0.044 0.000 0.987 167 F CB 1.230 40.251 39.000 0.035 0.000 1.130 167 F HN 0.250 nan 8.300 nan 0.000 0.458 168 V N 8.255 128.543 119.914 0.623 0.000 2.513 168 V HA 0.348 4.468 4.120 0.000 0.000 0.299 168 V C -1.628 174.627 176.094 0.268 0.000 1.035 168 V CA -1.416 61.077 62.300 0.321 0.000 0.889 168 V CB 1.683 33.678 31.823 0.286 0.000 0.988 168 V HN 0.600 nan 8.190 nan 0.000 0.440 169 P HA -0.119 nan 4.420 nan 0.000 0.215 169 P C 1.030 178.452 177.300 0.204 0.000 1.157 169 P CA 1.600 64.728 63.100 0.046 0.000 0.868 169 P CB 0.165 31.875 31.700 0.017 0.000 0.788 170 S N -3.889 111.939 115.700 0.214 0.000 2.597 170 S HA 0.123 4.593 4.470 0.000 0.000 0.224 170 S C 0.282 175.035 174.600 0.255 0.000 0.955 170 S CA -0.617 57.697 58.200 0.191 0.000 0.933 170 S CB -0.490 62.794 63.200 0.141 0.000 0.788 170 S HN 0.217 nan 8.310 nan 0.000 0.488 171 W N 0.148 121.558 121.300 0.184 0.000 3.029 171 W HA 0.604 5.264 4.660 0.000 0.000 0.339 171 W C -0.559 176.148 176.519 0.314 0.000 1.198 171 W CA -0.817 56.636 57.345 0.179 0.000 1.148 171 W CB 1.914 31.453 29.460 0.133 0.000 1.451 171 W HN 0.042 nan 8.180 nan 0.000 0.564 172 G N 1.918 111.075 108.800 0.595 0.000 5.077 172 G HA2 0.530 4.490 3.960 0.000 0.000 0.230 172 G HA3 0.530 4.490 3.960 0.000 0.000 0.230 172 G C -0.260 174.871 174.900 0.385 0.000 0.924 172 G CA 0.453 45.846 45.100 0.490 0.000 0.770 172 G HN 1.320 nan 8.290 nan 0.000 0.512 173 A N -0.777 122.338 122.820 0.492 0.000 2.556 173 A HA 0.253 4.573 4.320 0.000 0.000 0.682 173 A C 0.058 177.881 177.584 0.399 0.000 0.218 173 A CA 0.571 52.783 52.037 0.292 0.000 0.079 173 A CB -1.203 17.930 19.000 0.221 0.000 3.949 173 A HN 1.301 nan 8.150 nan 0.000 0.546 174 T N 0.049 114.753 114.554 0.250 0.000 2.923 174 T HA 0.671 5.021 4.350 0.000 0.000 0.311 174 T C -0.460 174.365 174.700 0.209 0.000 1.183 174 T CA 0.108 62.369 62.100 0.268 0.000 1.020 174 T CB 1.674 70.753 68.868 0.351 0.000 1.165 174 T HN 2.171 nan 8.240 nan 0.000 0.482 175 V N 0.396 120.461 119.914 0.252 0.000 2.409 175 V HA 0.738 4.858 4.120 0.000 0.000 0.290 175 V C 0.058 176.380 176.094 0.381 0.000 1.017 175 V CA -0.527 61.966 62.300 0.321 0.000 0.841 175 V CB 0.976 32.968 31.823 0.281 0.000 1.003 175 V HN 0.818 nan 8.190 nan 0.000 0.426 176 T N 3.759 118.542 114.554 0.381 0.000 2.824 176 T HA 0.903 5.253 4.350 0.000 0.000 0.277 176 T C 0.466 175.405 174.700 0.398 0.000 0.975 176 T CA 0.593 62.956 62.100 0.438 0.000 0.966 176 T CB 1.397 70.470 68.868 0.342 0.000 1.054 176 T HN 1.630 nan 8.240 nan 0.000 0.533 177 G N -0.699 108.247 108.800 0.243 0.000 2.324 177 G HA2 0.550 4.510 3.960 0.000 0.000 0.293 177 G HA3 0.550 4.510 3.960 0.000 0.000 0.293 177 G C -2.085 172.760 174.900 -0.092 0.000 1.297 177 G CA -0.134 44.887 45.100 -0.131 0.000 0.853 177 G HN 0.896 nan 8.290 nan 0.000 0.535 178 A N -0.247 122.424 122.820 -0.248 0.000 2.427 178 A HA 0.939 5.259 4.320 0.000 0.000 0.298 178 A C -0.084 177.406 177.584 -0.157 0.000 1.036 178 A CA -0.118 51.859 52.037 -0.100 0.000 0.701 178 A CB 1.411 20.396 19.000 -0.026 0.000 1.250 178 A HN 1.422 nan 8.150 nan 0.000 0.412 179 R N 0.698 121.156 120.500 -0.070 0.000 3.076 179 R HA 0.813 5.153 4.340 0.000 0.000 0.239 179 R C -0.480 175.833 176.300 0.022 0.000 1.392 179 R CA -0.977 55.107 56.100 -0.027 0.000 1.044 179 R CB 0.616 30.930 30.300 0.023 0.000 1.389 179 R HN 0.412 nan 8.270 nan 0.000 0.498 180 K N 0.118 120.547 120.400 0.048 0.000 2.107 180 K HA 0.205 4.525 4.320 0.000 0.000 0.251 180 K C -1.007 175.687 176.600 0.157 0.000 1.012 180 K CA -0.593 55.751 56.287 0.095 0.000 0.920 180 K CB 0.381 32.922 32.500 0.069 0.000 1.033 180 K HN 0.446 nan 8.250 nan 0.000 0.478 181 F N 3.218 123.232 119.950 0.107 0.000 2.529 181 F HA 0.260 4.787 4.527 0.000 0.000 0.365 181 F C -0.555 175.335 175.800 0.150 0.000 1.102 181 F CA -0.350 57.732 58.000 0.136 0.000 1.271 181 F CB 0.320 39.446 39.000 0.210 0.000 1.120 181 F HN 0.377 nan 8.300 nan 0.000 0.579 182 L N 7.701 129.018 121.223 0.157 0.000 2.341 182 L HA 0.645 4.985 4.340 0.000 0.000 0.278 182 L C -1.412 175.625 176.870 0.279 0.000 1.005 182 L CA -0.376 54.583 54.840 0.199 0.000 0.818 182 L CB 1.087 43.161 42.059 0.026 0.000 1.259 182 L HN 0.526 nan 8.230 nan 0.000 0.418 183 I N 4.647 125.393 120.570 0.293 0.000 2.441 183 I HA 0.605 4.775 4.170 0.000 0.000 0.295 183 I C 0.161 176.375 176.117 0.161 0.000 0.994 183 I CA -0.887 60.552 61.300 0.231 0.000 1.144 183 I CB 1.931 40.001 38.000 0.117 0.000 1.314 183 I HN 0.793 nan 8.210 nan 0.000 0.445 184 A N 6.502 129.411 122.820 0.148 0.000 2.310 184 A HA 0.581 4.901 4.320 0.000 0.000 0.300 184 A C -1.021 176.718 177.584 0.259 0.000 1.269 184 A CA -0.022 52.103 52.037 0.147 0.000 0.909 184 A CB -0.007 19.047 19.000 0.090 0.000 1.144 184 A HN 0.499 nan 8.150 nan 0.000 0.540 185 F N 3.210 123.184 119.950 0.040 0.000 2.529 185 F HA 0.507 5.034 4.527 0.000 0.000 0.320 185 F C -0.868 174.962 175.800 0.050 0.000 1.118 185 F CA -1.636 56.393 58.000 0.047 0.000 0.915 185 F CB 1.941 40.972 39.000 0.051 0.000 1.161 185 F HN 0.540 nan 8.300 nan 0.000 0.445 186 N N 6.167 124.748 118.700 -0.197 0.000 2.314 186 N HA 0.533 5.273 4.740 0.000 0.000 0.304 186 N C -1.057 174.177 175.510 -0.461 0.000 1.073 186 N CA -0.384 52.526 53.050 -0.233 0.000 0.822 186 N CB 2.506 40.970 38.487 -0.039 0.000 1.280 186 N HN 0.436 nan 8.380 nan 0.000 0.489 187 I N 1.472 121.865 120.570 -0.295 0.000 2.389 187 I HA 0.245 4.415 4.170 0.000 0.000 0.288 187 I C -0.360 175.694 176.117 -0.104 0.000 0.999 187 I CA -0.825 60.337 61.300 -0.231 0.000 1.129 187 I CB 1.214 39.083 38.000 -0.219 0.000 1.288 187 I HN 0.124 nan 8.210 nan 0.000 0.444 188 N N 7.208 125.872 118.700 -0.060 0.000 2.405 188 N HA 0.359 5.099 4.740 0.000 0.000 0.260 188 N C -0.710 174.769 175.510 -0.051 0.000 1.152 188 N CA 0.040 53.064 53.050 -0.043 0.000 0.948 188 N CB 1.014 39.491 38.487 -0.015 0.000 1.111 188 N HN 0.480 nan 8.380 nan 0.000 0.485 189 L N 2.331 123.510 121.223 -0.074 0.000 2.295 189 L HA 0.338 4.678 4.340 0.000 0.000 0.285 189 L C 1.228 178.043 176.870 -0.090 0.000 1.035 189 L CA -0.506 54.289 54.840 -0.075 0.000 0.806 189 L CB 1.717 43.732 42.059 -0.073 0.000 1.214 189 L HN 0.376 nan 8.230 nan 0.000 0.426 190 L N 2.743 123.926 121.223 -0.067 0.000 2.747 190 L HA 0.006 4.346 4.340 0.000 0.000 0.248 190 L C 1.160 177.990 176.870 -0.066 0.000 1.191 190 L CA 0.034 54.833 54.840 -0.068 0.000 1.003 190 L CB -0.552 41.483 42.059 -0.040 0.000 1.235 190 L HN 0.822 nan 8.230 nan 0.000 0.426 191 S N -2.341 113.314 115.700 -0.075 0.000 2.666 191 S HA 0.307 4.777 4.470 0.000 0.000 0.230 191 S C 0.414 174.989 174.600 -0.042 0.000 1.146 191 S CA -0.221 57.952 58.200 -0.046 0.000 1.162 191 S CB 1.244 64.426 63.200 -0.030 0.000 1.085 191 S HN 0.124 nan 8.310 nan 0.000 0.514 192 T N -1.286 113.267 114.554 -0.002 0.000 2.907 192 T HA 0.426 4.776 4.350 0.000 0.000 0.292 192 T C 0.593 175.342 174.700 0.081 0.000 1.043 192 T CA -0.664 61.472 62.100 0.059 0.000 1.003 192 T CB 1.626 70.538 68.868 0.073 0.000 1.084 192 T HN 0.704 nan 8.240 nan 0.000 0.483 193 K N 1.540 122.049 120.400 0.181 0.000 2.113 193 K HA -0.189 4.132 4.320 0.000 0.000 0.208 193 K C 1.648 178.330 176.600 0.137 0.000 1.047 193 K CA 2.305 58.702 56.287 0.184 0.000 0.928 193 K CB -0.049 32.592 32.500 0.235 0.000 0.716 193 K HN 0.688 nan 8.250 nan 0.000 0.446 194 E N 0.421 120.684 120.200 0.105 0.000 2.031 194 E HA -0.190 4.160 4.350 0.000 0.000 0.193 194 E C 2.193 178.864 176.600 0.119 0.000 0.994 194 E CA 1.688 58.149 56.400 0.101 0.000 0.800 194 E CB -0.017 29.722 29.700 0.065 0.000 0.752 194 E HN 0.360 nan 8.360 nan 0.000 0.447 195 Q N 0.075 119.922 119.800 0.079 0.000 2.030 195 Q HA -0.210 4.130 4.340 0.000 0.000 0.204 195 Q C 2.312 178.346 176.000 0.055 0.000 0.986 195 Q CA 1.542 57.377 55.803 0.054 0.000 0.843 195 Q CB -0.346 28.409 28.738 0.029 0.000 0.904 195 Q HN 0.315 nan 8.270 nan 0.000 0.420 196 A N 0.689 123.545 122.820 0.059 0.000 1.892 196 A HA -0.310 4.010 4.320 0.000 0.000 0.218 196 A C 1.833 179.468 177.584 0.086 0.000 1.188 196 A CA 2.185 54.253 52.037 0.052 0.000 0.631 196 A CB -1.015 18.015 19.000 0.049 0.000 0.822 196 A HN 0.530 nan 8.150 nan 0.000 0.447 197 H N -0.531 118.568 119.070 0.049 0.000 2.387 197 H HA -0.098 4.458 4.556 0.000 0.000 0.299 197 H C 2.185 177.535 175.328 0.036 0.000 1.090 197 H CA 1.898 57.980 56.048 0.056 0.000 1.332 197 H CB -0.135 29.670 29.762 0.072 0.000 1.386 197 H HN 0.503 nan 8.280 nan 0.000 0.516 198 R N 0.445 120.962 120.500 0.029 0.000 2.096 198 R HA -0.148 4.192 4.340 0.000 0.000 0.229 198 R C 2.276 178.528 176.300 -0.080 0.000 1.134 198 R CA 2.193 58.273 56.100 -0.032 0.000 0.917 198 R CB -0.591 29.721 30.300 0.020 0.000 0.832 198 R HN 0.424 nan 8.270 nan 0.000 0.430 199 I N 0.995 121.538 120.570 -0.045 0.000 2.147 199 I HA -0.381 3.789 4.170 0.000 0.000 0.245 199 I C 2.572 178.644 176.117 -0.075 0.000 1.059 199 I CA 1.779 63.048 61.300 -0.052 0.000 1.320 199 I CB -0.522 37.452 38.000 -0.042 0.000 1.021 199 I HN 0.471 nan 8.210 nan 0.000 0.415 200 A N 0.398 123.157 122.820 -0.101 0.000 1.930 200 A HA -0.138 4.182 4.320 0.000 0.000 0.217 200 A C 2.242 179.740 177.584 -0.143 0.000 1.175 200 A CA 1.227 53.198 52.037 -0.110 0.000 0.627 200 A CB -0.693 18.247 19.000 -0.101 0.000 0.815 200 A HN 0.415 nan 8.150 nan 0.000 0.443 201 L N -0.386 120.701 121.223 -0.226 0.000 2.201 201 L HA -0.184 4.156 4.340 0.000 0.000 0.212 201 L C 2.151 178.967 176.870 -0.091 0.000 1.105 201 L CA 1.363 56.094 54.840 -0.181 0.000 0.775 201 L CB -0.451 41.482 42.059 -0.209 0.000 0.913 201 L HN 0.511 nan 8.230 nan 0.000 0.440 202 N N -0.753 117.900 118.700 -0.078 0.000 2.333 202 N HA -0.046 4.694 4.740 0.000 0.000 0.178 202 N C 1.796 177.283 175.510 -0.037 0.000 1.018 202 N CA 0.524 53.546 53.050 -0.047 0.000 0.882 202 N CB 0.163 38.626 38.487 -0.040 0.000 0.984 202 N HN 0.250 nan 8.380 nan 0.000 0.434 203 L N 1.297 122.496 121.223 -0.041 0.000 2.034 203 L HA 0.000 4.340 4.340 0.000 0.000 0.203 203 L C 1.030 177.887 176.870 -0.020 0.000 1.074 203 L CA 0.362 55.186 54.840 -0.026 0.000 0.748 203 L CB -0.516 41.530 42.059 -0.022 0.000 0.905 203 L HN 0.201 nan 8.230 nan 0.000 0.439 204 R N 1.133 121.618 120.500 -0.025 0.000 2.697 204 R HA -0.121 4.219 4.340 0.000 0.000 0.265 204 R C 0.940 177.234 176.300 -0.010 0.000 1.009 204 R CA 0.308 56.400 56.100 -0.013 0.000 1.099 204 R CB 0.306 30.597 30.300 -0.016 0.000 0.965 204 R HN 0.202 nan 8.270 nan 0.000 0.428 205 E N 1.171 121.371 120.200 -0.001 0.000 2.150 205 E HA -0.263 4.087 4.350 0.000 0.000 0.193 205 E C 1.605 178.206 176.600 0.001 0.000 0.985 205 E CA 0.980 57.380 56.400 0.000 0.000 0.814 205 E CB 0.151 29.854 29.700 0.005 0.000 0.752 205 E HN 0.804 nan 8.360 nan 0.000 0.466 206 Q N 0.104 119.907 119.800 0.004 0.000 2.297 206 Q HA -0.023 4.317 4.340 0.000 0.000 0.204 206 Q C 0.820 176.822 176.000 0.003 0.000 0.962 206 Q CA 0.737 56.544 55.803 0.007 0.000 0.879 206 Q CB -0.023 28.723 28.738 0.013 0.000 0.947 206 Q HN 0.350 nan 8.270 nan 0.000 0.462 207 G N 1.205 110.001 108.800 -0.006 0.000 2.692 207 G HA2 -0.331 3.629 3.960 0.000 0.000 0.248 207 G HA3 -0.331 3.629 3.960 0.000 0.000 0.248 207 G C -0.846 174.049 174.900 -0.008 0.000 1.340 207 G CA -0.129 44.964 45.100 -0.013 0.000 0.896 207 G HN 0.454 nan 8.290 nan 0.000 0.570 208 R N 1.472 121.968 120.500 -0.007 0.000 2.459 208 R HA 0.431 4.771 4.340 0.000 0.000 0.301 208 R C 1.331 177.640 176.300 0.016 0.000 1.286 208 R CA 1.027 57.131 56.100 0.005 0.000 1.046 208 R CB -0.422 29.881 30.300 0.005 0.000 1.071 208 R HN 2.086 nan 8.270 nan 0.000 0.512 209 G N 2.507 111.321 108.800 0.023 0.000 2.512 209 G HA2 -0.320 3.640 3.960 0.000 0.000 0.254 209 G HA3 -0.320 3.640 3.960 0.000 0.000 0.254 209 G C 0.290 175.201 174.900 0.018 0.000 1.199 209 G CA -0.253 44.862 45.100 0.024 0.000 0.941 209 G HN 0.406 nan 8.290 nan 0.000 0.569 210 K N 0.958 121.367 120.400 0.016 0.000 2.696 210 K HA 0.151 4.471 4.320 0.000 0.000 0.169 210 K C 0.950 177.555 176.600 0.009 0.000 1.126 210 K CA 0.406 56.700 56.287 0.013 0.000 1.251 210 K CB -0.954 31.553 32.500 0.012 0.000 1.753 210 K HN 0.765 nan 8.250 nan 0.000 0.480 211 D N 2.088 122.493 120.400 0.008 0.000 2.923 211 D HA -0.186 4.454 4.640 0.000 0.000 0.220 211 D C -0.264 176.039 176.300 0.005 0.000 1.099 211 D CA 1.181 55.184 54.000 0.006 0.000 0.807 211 D CB 0.033 40.837 40.800 0.006 0.000 1.155 211 D HN 0.337 nan 8.370 nan 0.000 0.524 212 Q N 1.966 121.768 119.800 0.003 0.000 2.199 212 Q HA -0.093 4.247 4.340 0.000 0.000 0.282 212 Q C -2.507 173.493 176.000 0.000 0.000 1.163 212 Q CA -0.432 55.372 55.803 0.002 0.000 0.581 212 Q CB -0.576 28.164 28.738 0.002 0.000 0.911 212 Q HN 0.451 nan 8.270 nan 0.000 0.335 213 P HA 0.149 nan 4.420 nan 0.000 0.272 213 P C 0.605 177.901 177.300 -0.007 0.000 1.254 213 P CA 0.541 63.640 63.100 -0.003 0.000 0.795 213 P CB 0.292 31.991 31.700 -0.002 0.000 1.022 214 G N 0.226 109.020 108.800 -0.010 0.000 2.485 214 G HA2 0.111 4.071 3.960 0.000 0.000 0.260 214 G HA3 0.111 4.071 3.960 0.000 0.000 0.260 214 G C 0.979 175.872 174.900 -0.012 0.000 1.459 214 G CA -0.325 44.766 45.100 -0.015 0.000 1.060 214 G HN 0.384 nan 8.290 nan 0.000 0.546 215 R N -1.327 119.165 120.500 -0.014 0.000 2.062 215 R HA 0.174 4.514 4.340 0.000 0.000 0.218 215 R C 0.692 176.984 176.300 -0.013 0.000 1.161 215 R CA 0.010 56.103 56.100 -0.012 0.000 0.994 215 R CB -0.569 29.724 30.300 -0.012 0.000 0.888 215 R HN 0.271 nan 8.270 nan 0.000 0.442 216 L N 3.208 124.423 121.223 -0.013 0.000 2.410 216 L HA 0.135 4.475 4.340 0.000 0.000 0.273 216 L C 0.208 177.072 176.870 -0.010 0.000 1.144 216 L CA -0.138 54.693 54.840 -0.014 0.000 0.863 216 L CB 0.222 42.274 42.059 -0.010 0.000 1.140 216 L HN -0.087 nan 8.230 nan 0.000 0.463 217 K N 3.702 124.093 120.400 -0.014 0.000 2.185 217 K HA 0.155 4.475 4.320 0.000 0.000 0.271 217 K C 0.395 176.992 176.600 -0.005 0.000 1.013 217 K CA -0.559 55.722 56.287 -0.010 0.000 0.943 217 K CB 0.724 33.215 32.500 -0.015 0.000 0.998 217 K HN 0.443 nan 8.250 nan 0.000 0.468 218 K N -0.681 119.720 120.400 0.003 0.000 3.016 218 K HA -0.160 4.160 4.320 0.000 0.000 0.262 218 K C -0.632 175.983 176.600 0.025 0.000 1.043 218 K CA 0.460 56.755 56.287 0.013 0.000 0.761 218 K CB -1.891 30.612 32.500 0.005 0.000 1.230 218 K HN 0.343 nan 8.250 nan 0.000 0.485 219 V N 1.404 121.332 119.914 0.023 0.000 2.409 219 V HA 0.261 4.381 4.120 0.000 0.000 0.291 219 V C 0.350 176.462 176.094 0.030 0.000 1.020 219 V CA -0.597 61.724 62.300 0.036 0.000 0.848 219 V CB 1.802 33.646 31.823 0.035 0.000 0.990 219 V HN 0.277 nan 8.190 nan 0.000 0.430 220 Q N 3.856 123.678 119.800 0.037 0.000 2.377 220 Q HA 0.848 5.188 4.340 0.000 0.000 0.271 220 Q C -0.427 175.588 176.000 0.026 0.000 1.077 220 Q CA -0.243 55.576 55.803 0.027 0.000 0.820 220 Q CB 2.692 31.447 28.738 0.029 0.000 1.347 220 Q HN 0.923 nan 8.270 nan 0.000 0.444 221 G N 1.803 110.612 108.800 0.016 0.000 2.322 221 G HA2 0.431 4.391 3.960 0.000 0.000 0.295 221 G HA3 0.431 4.391 3.960 0.000 0.000 0.295 221 G C -1.428 173.483 174.900 0.018 0.000 1.369 221 G CA -0.233 44.874 45.100 0.012 0.000 0.821 221 G HN 0.994 nan 8.290 nan 0.000 0.536 222 I N -2.991 117.605 120.570 0.043 0.000 3.493 222 I HA 0.951 5.121 4.170 0.000 0.000 0.315 222 I C 0.234 176.467 176.117 0.194 0.000 1.202 222 I CA -1.253 60.125 61.300 0.130 0.000 0.943 222 I CB 1.712 39.849 38.000 0.229 0.000 1.349 222 I HN 1.020 nan 8.210 nan 0.000 0.480 223 G N 0.656 109.699 108.800 0.405 0.000 2.367 223 G HA2 0.505 4.465 3.960 0.000 0.000 0.314 223 G HA3 0.505 4.465 3.960 0.000 0.000 0.314 223 G C -1.709 173.461 174.900 0.451 0.000 1.130 223 G CA -0.459 44.863 45.100 0.370 0.000 0.864 223 G HN 0.772 nan 8.290 nan 0.000 0.486 224 W N 2.137 123.495 121.300 0.098 0.000 3.025 224 W HA 0.581 5.241 4.660 0.000 0.000 0.343 224 W C -2.451 174.142 176.519 0.123 0.000 1.246 224 W CA -1.135 56.269 57.345 0.097 0.000 1.178 224 W CB 2.066 31.564 29.460 0.063 0.000 1.463 224 W HN 0.461 nan 8.180 nan 0.000 0.578 225 Y N 3.761 123.638 120.300 -0.704 0.000 2.330 225 Y HA 0.369 4.919 4.550 0.000 0.000 0.324 225 Y C -0.828 174.716 175.900 -0.593 0.000 1.093 225 Y CA -0.825 56.983 58.100 -0.486 0.000 1.103 225 Y CB 1.215 39.463 38.460 -0.353 0.000 1.183 225 Y HN 0.201 nan 8.280 nan 0.000 0.433 226 L N 6.207 127.375 121.223 -0.092 0.000 2.433 226 L HA 0.076 4.416 4.340 0.000 0.000 0.275 226 L C 0.994 177.965 176.870 0.167 0.000 1.128 226 L CA 0.040 54.885 54.840 0.008 0.000 0.875 226 L CB 0.789 42.858 42.059 0.016 0.000 1.171 226 L HN 0.785 nan 8.230 nan 0.000 0.463 227 E N 2.574 122.806 120.200 0.053 0.000 2.028 227 E HA -0.220 4.130 4.350 0.000 0.000 0.191 227 E C 1.743 178.371 176.600 0.047 0.000 0.988 227 E CA 1.663 58.073 56.400 0.016 0.000 0.799 227 E CB 0.056 29.715 29.700 -0.068 0.000 0.755 227 E HN 0.791 nan 8.360 nan 0.000 0.447 228 E N 0.392 120.613 120.200 0.035 0.000 2.274 228 E HA -0.101 4.249 4.350 0.000 0.000 0.194 228 E C 1.458 178.081 176.600 0.038 0.000 0.996 228 E CA 0.828 57.246 56.400 0.029 0.000 0.840 228 E CB 0.052 29.765 29.700 0.023 0.000 0.772 228 E HN -0.058 nan 8.360 nan 0.000 0.491 229 K N 0.196 120.625 120.400 0.049 0.000 2.354 229 K HA 0.088 4.408 4.320 0.000 0.000 0.194 229 K C 0.253 176.876 176.600 0.039 0.000 1.038 229 K CA 0.226 56.532 56.287 0.031 0.000 1.052 229 K CB 0.178 32.685 32.500 0.011 0.000 0.861 229 K HN 0.069 nan 8.250 nan 0.000 0.535 230 N N 0.260 119.032 118.700 0.119 0.000 2.776 230 N HA -0.190 4.550 4.740 0.000 0.000 0.250 230 N C -1.132 174.351 175.510 -0.044 0.000 1.112 230 N CA 0.408 53.583 53.050 0.208 0.000 0.733 230 N CB -1.170 37.386 38.487 0.115 0.000 1.097 230 N HN 0.179 nan 8.380 nan 0.000 0.558 231 L N -0.324 120.734 121.223 -0.274 0.000 2.341 231 L HA 0.852 5.192 4.340 0.000 0.000 0.278 231 L C 0.278 176.698 176.870 -0.750 0.000 1.005 231 L CA -0.478 54.117 54.840 -0.407 0.000 0.818 231 L CB 1.468 43.422 42.059 -0.175 0.000 1.259 231 L HN 0.123 nan 8.230 nan 0.000 0.418 232 A N 4.310 126.702 122.820 -0.713 0.000 2.296 232 A HA 0.705 5.025 4.320 0.000 0.000 0.264 232 A C -0.625 176.830 177.584 -0.215 0.000 1.097 232 A CA -0.218 51.489 52.037 -0.551 0.000 0.811 232 A CB 0.479 19.276 19.000 -0.338 0.000 1.072 232 A HN 0.775 nan 8.150 nan 0.000 0.495 233 Q N -0.395 119.371 119.800 -0.057 0.000 2.295 233 Q HA 0.390 4.730 4.340 0.000 0.000 0.268 233 Q C -1.710 174.344 176.000 0.089 0.000 1.010 233 Q CA -0.660 55.167 55.803 0.039 0.000 0.856 233 Q CB 2.419 31.247 28.738 0.150 0.000 1.349 233 Q HN 0.468 nan 8.270 nan 0.000 0.412 234 V N 2.166 122.090 119.914 0.017 0.000 2.313 234 V HA 0.136 4.256 4.120 0.000 0.000 0.252 234 V C 0.172 176.261 176.094 -0.008 0.000 1.112 234 V CA -0.035 62.272 62.300 0.011 0.000 0.984 234 V CB 0.694 32.493 31.823 -0.041 0.000 1.157 234 V HN 0.646 nan 8.190 nan 0.000 0.493 235 S N 4.920 120.645 115.700 0.043 0.000 2.452 235 S HA 0.634 5.104 4.470 0.000 0.000 0.284 235 S C 0.201 174.795 174.600 -0.010 0.000 1.171 235 S CA -0.274 57.924 58.200 -0.003 0.000 1.064 235 S CB 0.542 63.713 63.200 -0.047 0.000 0.967 235 S HN 0.929 nan 8.310 nan 0.000 0.484 236 T N 2.316 116.875 114.554 0.009 0.000 2.901 236 T HA 0.574 4.924 4.350 0.000 0.000 0.293 236 T C -1.157 173.594 174.700 0.086 0.000 1.084 236 T CA -1.115 61.014 62.100 0.049 0.000 1.008 236 T CB 1.297 70.212 68.868 0.078 0.000 1.170 236 T HN 0.503 nan 8.240 nan 0.000 0.509 237 N N 1.160 119.908 118.700 0.080 0.000 2.442 237 N HA 0.421 5.161 4.740 0.000 0.000 0.274 237 N C -1.360 174.214 175.510 0.108 0.000 1.002 237 N CA -0.554 52.553 53.050 0.094 0.000 0.910 237 N CB 1.596 40.119 38.487 0.059 0.000 1.244 237 N HN 0.466 nan 8.380 nan 0.000 0.492 238 L N 2.792 124.096 121.223 0.136 0.000 2.369 238 L HA 0.218 4.558 4.340 0.000 0.000 0.279 238 L C 1.686 178.638 176.870 0.137 0.000 1.108 238 L CA 0.243 55.158 54.840 0.126 0.000 0.852 238 L CB 0.520 42.655 42.059 0.127 0.000 1.169 238 L HN 0.482 nan 8.230 nan 0.000 0.452 239 L N 1.919 123.202 121.223 0.100 0.000 2.418 239 L HA 0.133 4.473 4.340 0.000 0.000 0.218 239 L C 0.114 177.043 176.870 0.099 0.000 1.125 239 L CA 0.607 55.504 54.840 0.095 0.000 0.835 239 L CB 0.179 42.276 42.059 0.063 0.000 0.953 239 L HN 0.660 nan 8.230 nan 0.000 0.454 240 D N -1.073 119.375 120.400 0.080 0.000 2.312 240 D HA 0.032 4.672 4.640 0.000 0.000 0.229 240 D C 0.510 176.783 176.300 -0.045 0.000 1.337 240 D CA -0.517 53.486 54.000 0.005 0.000 0.964 240 D CB 0.520 41.285 40.800 -0.058 0.000 1.456 240 D HN 0.080 nan 8.370 nan 0.000 0.547 241 F N 1.698 121.639 119.950 -0.015 0.000 2.664 241 F HA 0.108 4.635 4.527 0.000 0.000 0.297 241 F C 1.393 177.149 175.800 -0.073 0.000 1.164 241 F CA 0.465 58.425 58.000 -0.066 0.000 1.472 241 F CB -0.011 38.932 39.000 -0.095 0.000 1.108 241 F HN 0.114 nan 8.300 nan 0.000 0.596 242 E N 1.197 121.102 120.200 -0.491 0.000 2.140 242 E HA -0.032 4.318 4.350 0.000 0.000 0.191 242 E C 2.461 178.957 176.600 -0.174 0.000 0.973 242 E CA 1.162 57.351 56.400 -0.351 0.000 0.829 242 E CB -0.381 29.067 29.700 -0.420 0.000 0.781 242 E HN 0.490 nan 8.360 nan 0.000 0.466 243 V N 0.913 120.739 119.914 -0.147 0.000 2.273 243 V HA -0.041 4.079 4.120 0.000 0.000 0.242 243 V C 1.273 177.316 176.094 -0.085 0.000 1.035 243 V CA 1.221 63.465 62.300 -0.094 0.000 1.013 243 V CB -0.385 31.395 31.823 -0.071 0.000 0.652 243 V HN 0.057 nan 8.190 nan 0.000 0.452 244 T N 1.269 115.777 114.554 -0.077 0.000 2.770 244 T HA 0.724 5.074 4.350 0.000 0.000 0.283 244 T C -0.066 174.566 174.700 -0.114 0.000 0.988 244 T CA 0.032 62.077 62.100 -0.092 0.000 0.957 244 T CB 1.382 70.217 68.868 -0.054 0.000 0.930 244 T HN 0.551 nan 8.240 nan 0.000 0.443 245 A N 2.951 125.624 122.820 -0.244 0.000 2.272 245 A HA 0.558 4.878 4.320 0.000 0.000 0.275 245 A C 1.567 178.953 177.584 -0.330 0.000 1.096 245 A CA -0.558 51.277 52.037 -0.337 0.000 0.822 245 A CB 0.155 18.731 19.000 -0.707 0.000 1.088 245 A HN 0.962 nan 8.150 nan 0.000 0.495 246 L N -0.453 120.612 121.223 -0.263 0.000 2.131 246 L HA -0.214 4.126 4.340 0.000 0.000 0.210 246 L C 2.348 179.147 176.870 -0.118 0.000 1.092 246 L CA 2.290 56.975 54.840 -0.259 0.000 0.759 246 L CB -0.491 41.369 42.059 -0.331 0.000 0.903 246 L HN 1.099 nan 8.230 nan 0.000 0.435 247 H N -3.417 115.643 119.070 -0.017 0.000 2.431 247 H HA -0.029 4.527 4.556 0.000 0.000 0.295 247 H C 2.093 177.453 175.328 0.052 0.000 1.038 247 H CA 1.091 57.191 56.048 0.086 0.000 1.360 247 H CB -0.892 28.839 29.762 -0.052 0.000 1.433 247 H HN 0.161 nan 8.280 nan 0.000 0.536 248 T N -0.952 113.299 114.554 -0.504 0.000 2.962 248 T HA -0.072 4.278 4.350 0.000 0.000 0.270 248 T C 1.965 176.635 174.700 -0.049 0.000 1.088 248 T CA 0.806 62.768 62.100 -0.230 0.000 1.127 248 T CB -0.692 67.983 68.868 -0.321 0.000 0.883 248 T HN 0.174 nan 8.240 nan 0.000 0.493 249 V N 0.721 120.643 119.914 0.012 0.000 2.221 249 V HA -0.114 4.006 4.120 0.000 0.000 0.240 249 V C 2.103 178.317 176.094 0.200 0.000 1.041 249 V CA 1.740 64.119 62.300 0.131 0.000 0.991 249 V CB -0.866 31.104 31.823 0.246 0.000 0.634 249 V HN 0.466 nan 8.190 nan 0.000 0.450 250 Y N 1.216 121.666 120.300 0.250 0.000 2.002 250 Y HA -0.336 4.214 4.550 0.000 0.000 0.268 250 Y C 2.663 178.658 175.900 0.159 0.000 1.177 250 Y CA 2.453 60.689 58.100 0.227 0.000 1.111 250 Y CB -0.358 38.317 38.460 0.358 0.000 0.952 250 Y HN 0.276 nan 8.280 nan 0.000 0.491 251 E N -0.004 120.391 120.200 0.326 0.000 2.267 251 E HA -0.226 4.124 4.350 0.000 0.000 0.197 251 E C 2.004 178.637 176.600 0.054 0.000 0.998 251 E CA 1.467 57.998 56.400 0.219 0.000 0.830 251 E CB -0.176 29.726 29.700 0.337 0.000 0.751 251 E HN 0.588 nan 8.360 nan 0.000 0.491 252 E N 0.406 120.621 120.200 0.025 0.000 2.042 252 E HA 0.049 4.399 4.350 0.000 0.000 0.189 252 E C 1.908 178.477 176.600 -0.051 0.000 0.974 252 E CA 1.172 57.568 56.400 -0.007 0.000 0.806 252 E CB -0.311 29.389 29.700 -0.001 0.000 0.769 252 E HN 0.121 nan 8.360 nan 0.000 0.451 253 A N 1.451 124.222 122.820 -0.082 0.000 1.948 253 A HA -0.231 4.089 4.320 0.000 0.000 0.220 253 A C 2.161 179.643 177.584 -0.171 0.000 1.177 253 A CA 1.605 53.568 52.037 -0.124 0.000 0.636 253 A CB -0.557 18.353 19.000 -0.150 0.000 0.815 253 A HN 0.097 nan 8.150 nan 0.000 0.449 254 R N -0.330 120.015 120.500 -0.258 0.000 2.112 254 R HA -0.183 4.157 4.340 0.000 0.000 0.242 254 R C 2.345 178.586 176.300 -0.098 0.000 1.137 254 R CA 2.157 58.122 56.100 -0.225 0.000 0.944 254 R CB -0.596 29.561 30.300 -0.238 0.000 0.857 254 R HN 0.640 nan 8.270 nan 0.000 0.435 255 R N 0.106 120.573 120.500 -0.056 0.000 2.062 255 R HA -0.126 4.214 4.340 0.000 0.000 0.231 255 R C 2.225 178.506 176.300 -0.031 0.000 1.136 255 R CA 1.220 57.305 56.100 -0.024 0.000 0.948 255 R CB -0.391 29.906 30.300 -0.004 0.000 0.845 255 R HN 0.102 nan 8.270 nan 0.000 0.430 256 E N 0.577 120.753 120.200 -0.039 0.000 2.200 256 E HA -0.277 4.073 4.350 0.000 0.000 0.211 256 E C 1.712 178.290 176.600 -0.038 0.000 1.048 256 E CA 2.190 58.567 56.400 -0.038 0.000 0.851 256 E CB -0.215 29.456 29.700 -0.048 0.000 0.747 256 E HN 0.426 nan 8.360 nan 0.000 0.462 257 A N -0.324 122.465 122.820 -0.051 0.000 1.935 257 A HA -0.072 4.248 4.320 0.000 0.000 0.214 257 A C 1.944 179.508 177.584 -0.034 0.000 1.178 257 A CA 1.053 53.061 52.037 -0.047 0.000 0.640 257 A CB -0.298 18.661 19.000 -0.068 0.000 0.825 257 A HN 0.276 nan 8.150 nan 0.000 0.447 258 Q N -0.316 119.465 119.800 -0.032 0.000 2.500 258 Q HA -0.111 4.229 4.340 0.000 0.000 0.213 258 Q C 1.299 177.292 176.000 -0.012 0.000 0.974 258 Q CA 1.041 56.833 55.803 -0.018 0.000 0.918 258 Q CB -0.042 28.689 28.738 -0.012 0.000 0.980 258 Q HN 0.742 nan 8.270 nan 0.000 0.505 259 E N -0.028 120.164 120.200 -0.014 0.000 2.318 259 E HA 0.001 4.351 4.350 0.000 0.000 0.193 259 E C 0.858 177.453 176.600 -0.008 0.000 0.998 259 E CA 0.472 56.867 56.400 -0.009 0.000 0.859 259 E CB 0.448 30.143 29.700 -0.009 0.000 0.812 259 E HN 0.283 nan 8.360 nan 0.000 0.492 260 L N -0.245 120.972 121.223 -0.011 0.000 2.959 260 L HA 0.290 4.630 4.340 0.000 0.000 0.259 260 L C -0.333 176.532 176.870 -0.008 0.000 1.185 260 L CA -0.244 54.592 54.840 -0.008 0.000 0.998 260 L CB -0.165 41.889 42.059 -0.008 0.000 1.337 260 L HN 0.030 nan 8.230 nan 0.000 0.555 261 N N 1.580 120.275 118.700 -0.010 0.000 2.727 261 N HA -0.160 4.580 4.740 0.000 0.000 0.251 261 N C -0.894 174.609 175.510 -0.011 0.000 1.040 261 N CA 0.100 53.145 53.050 -0.009 0.000 0.712 261 N CB -0.993 37.491 38.487 -0.004 0.000 0.912 261 N HN 0.298 nan 8.380 nan 0.000 0.545 262 L N 0.023 121.236 121.223 -0.017 0.000 2.385 262 L HA 0.641 4.981 4.340 0.000 0.000 0.273 262 L C -2.171 174.683 176.870 -0.027 0.000 0.990 262 L CA -1.918 52.910 54.840 -0.021 0.000 0.821 262 L CB 1.680 43.724 42.059 -0.024 0.000 1.279 262 L HN -0.158 nan 8.230 nan 0.000 0.412 263 P HA 0.159 nan 4.420 nan 0.000 0.276 263 P C -0.651 176.627 177.300 -0.036 0.000 1.230 263 P CA -0.258 62.827 63.100 -0.025 0.000 0.776 263 P CB 1.644 33.335 31.700 -0.015 0.000 0.888 264 V N 4.347 124.236 119.914 -0.042 0.000 2.407 264 V HA 0.162 4.282 4.120 0.000 0.000 0.278 264 V C 0.874 176.972 176.094 0.005 0.000 1.037 264 V CA -0.383 61.886 62.300 -0.052 0.000 0.900 264 V CB 1.609 33.352 31.823 -0.135 0.000 0.983 264 V HN 0.476 nan 8.190 nan 0.000 0.459 265 V N 3.291 123.216 119.914 0.019 0.000 2.435 265 V HA 0.874 4.994 4.120 0.000 0.000 0.263 265 V C 0.556 176.692 176.094 0.071 0.000 1.087 265 V CA 0.346 62.671 62.300 0.040 0.000 1.253 265 V CB -0.488 31.341 31.823 0.009 0.000 1.462 265 V HN 1.375 nan 8.190 nan 0.000 0.547 266 G N 2.337 111.235 108.800 0.164 0.000 2.512 266 G HA2 0.136 4.096 3.960 0.000 0.000 0.240 266 G HA3 0.136 4.096 3.960 0.000 0.000 0.240 266 G C -0.047 174.955 174.900 0.169 0.000 1.246 266 G CA 0.424 45.624 45.100 0.168 0.000 0.919 266 G HN 2.432 nan 8.290 nan 0.000 0.577 267 S N -1.444 114.293 115.700 0.061 0.000 2.655 267 S HA 0.690 5.160 4.470 0.000 0.000 0.266 267 S C -1.103 173.529 174.600 0.053 0.000 1.149 267 S CA 0.474 58.671 58.200 -0.006 0.000 0.818 267 S CB 1.753 64.928 63.200 -0.041 0.000 1.130 267 S HN 2.222 nan 8.310 nan 0.000 0.476 268 Q N 0.578 120.425 119.800 0.079 0.000 2.309 268 Q HA 0.669 5.009 4.340 0.000 0.000 0.273 268 Q C -1.852 174.340 176.000 0.320 0.000 1.040 268 Q CA -0.996 54.913 55.803 0.177 0.000 0.834 268 Q CB 1.554 30.366 28.738 0.124 0.000 1.345 268 Q HN 0.714 nan 8.270 nan 0.000 0.414 269 L N 2.175 123.589 121.223 0.320 0.000 2.326 269 L HA 0.530 4.870 4.340 0.000 0.000 0.278 269 L C -0.601 176.400 176.870 0.218 0.000 1.092 269 L CA -0.960 54.057 54.840 0.296 0.000 0.810 269 L CB 1.698 43.888 42.059 0.217 0.000 1.153 269 L HN 0.500 nan 8.230 nan 0.000 0.439 270 V N 3.137 123.156 119.914 0.175 0.000 2.357 270 V HA 0.763 4.884 4.120 0.000 0.000 0.284 270 V C 0.648 176.795 176.094 0.089 0.000 1.018 270 V CA 0.346 62.714 62.300 0.114 0.000 0.841 270 V CB 0.577 32.451 31.823 0.085 0.000 0.991 270 V HN 1.066 nan 8.190 nan 0.000 0.437 271 G N 5.026 113.865 108.800 0.065 0.000 2.499 271 G HA2 -0.169 3.791 3.960 0.000 0.000 0.232 271 G HA3 -0.169 3.791 3.960 0.000 0.000 0.232 271 G C -0.730 174.209 174.900 0.064 0.000 1.251 271 G CA -0.239 44.890 45.100 0.048 0.000 0.917 271 G HN 0.702 nan 8.290 nan 0.000 0.580 272 L N -0.134 121.144 121.223 0.092 0.000 2.334 272 L HA 0.784 5.124 4.340 0.000 0.000 0.275 272 L C 0.475 177.465 176.870 0.200 0.000 1.036 272 L CA -1.045 53.864 54.840 0.116 0.000 0.807 272 L CB 1.691 43.824 42.059 0.123 0.000 1.231 272 L HN 0.757 nan 8.230 nan 0.000 0.438 273 V N 3.206 123.152 119.914 0.053 0.000 2.680 273 V HA 0.648 4.768 4.120 0.000 0.000 0.309 273 V C -2.466 173.426 176.094 -0.338 0.000 1.052 273 V CA -2.172 60.047 62.300 -0.134 0.000 0.908 273 V CB 2.687 34.451 31.823 -0.098 0.000 1.001 273 V HN 0.529 nan 8.190 nan 0.000 0.431 274 P HA 0.245 nan 4.420 nan 0.000 0.279 274 P C 0.494 177.528 177.300 -0.443 0.000 1.239 274 P CA -0.342 62.377 63.100 -0.634 0.000 0.789 274 P CB 1.166 32.282 31.700 -0.973 0.000 0.933 275 L N 3.903 124.989 121.223 -0.229 0.000 2.013 275 L HA -0.206 4.134 4.340 0.000 0.000 0.212 275 L C 2.181 178.968 176.870 -0.138 0.000 1.073 275 L CA 2.060 56.824 54.840 -0.126 0.000 0.753 275 L CB -0.949 41.130 42.059 0.033 0.000 0.890 275 L HN 0.335 nan 8.230 nan 0.000 0.432 276 K N -0.746 119.583 120.400 -0.119 0.000 2.020 276 K HA -0.263 4.057 4.320 0.000 0.000 0.212 276 K C 2.018 178.565 176.600 -0.088 0.000 1.050 276 K CA 1.659 57.936 56.287 -0.017 0.000 0.929 276 K CB -0.439 32.164 32.500 0.172 0.000 0.714 276 K HN 0.505 nan 8.250 nan 0.000 0.443 277 A N 1.521 124.051 122.820 -0.482 0.000 1.894 277 A HA -0.239 4.081 4.320 0.000 0.000 0.220 277 A C 2.035 179.498 177.584 -0.202 0.000 1.237 277 A CA 2.544 54.260 52.037 -0.536 0.000 0.660 277 A CB -0.853 17.544 19.000 -1.004 0.000 0.835 277 A HN 0.485 nan 8.150 nan 0.000 0.461 278 L N -3.193 117.902 121.223 -0.212 0.000 2.592 278 L HA 0.388 4.728 4.340 0.000 0.000 0.227 278 L C 1.748 178.598 176.870 -0.034 0.000 1.127 278 L CA 0.841 55.608 54.840 -0.121 0.000 0.884 278 L CB -0.192 41.763 42.059 -0.175 0.000 1.065 278 L HN 0.261 nan 8.230 nan 0.000 0.457 279 L N -0.510 120.702 121.223 -0.019 0.000 2.307 279 L HA 0.046 4.386 4.340 0.000 0.000 0.211 279 L C 1.681 178.590 176.870 0.066 0.000 1.099 279 L CA 0.579 55.438 54.840 0.031 0.000 0.816 279 L CB -0.073 42.007 42.059 0.035 0.000 0.952 279 L HN 0.313 nan 8.230 nan 0.000 0.455 280 D N 0.247 120.700 120.400 0.088 0.000 2.091 280 D HA -0.117 4.523 4.640 0.000 0.000 0.199 280 D C 2.181 178.560 176.300 0.132 0.000 0.980 280 D CA 1.253 55.327 54.000 0.122 0.000 0.831 280 D CB -0.148 40.750 40.800 0.163 0.000 0.987 280 D HN 0.279 nan 8.370 nan 0.000 0.460 281 A N 1.954 124.889 122.820 0.191 0.000 1.894 281 A HA -0.288 4.032 4.320 0.000 0.000 0.220 281 A C 2.384 180.059 177.584 0.153 0.000 1.237 281 A CA 3.441 55.611 52.037 0.223 0.000 0.660 281 A CB -1.240 17.910 19.000 0.250 0.000 0.835 281 A HN 0.277 nan 8.150 nan 0.000 0.461 282 A N -0.485 122.431 122.820 0.159 0.000 1.870 282 A HA -0.053 4.267 4.320 0.000 0.000 0.219 282 A C 2.609 180.262 177.584 0.115 0.000 1.224 282 A CA 3.426 55.555 52.037 0.152 0.000 0.650 282 A CB -1.456 17.595 19.000 0.086 0.000 0.836 282 A HN 1.562 nan 8.150 nan 0.000 0.454 283 A N -1.836 121.030 122.820 0.078 0.000 2.032 283 A HA -0.074 4.246 4.320 0.000 0.000 0.221 283 A C 2.012 179.606 177.584 0.018 0.000 1.165 283 A CA 1.868 53.937 52.037 0.053 0.000 0.645 283 A CB -0.721 18.316 19.000 0.062 0.000 0.807 283 A HN 0.858 nan 8.150 nan 0.000 0.453 284 F N -0.431 119.383 119.950 -0.226 0.000 2.113 284 F HA -0.158 4.369 4.527 0.000 0.000 0.297 284 F C 1.929 177.513 175.800 -0.359 0.000 1.103 284 F CA 1.470 59.215 58.000 -0.425 0.000 1.248 284 F CB -0.662 37.738 39.000 -1.001 0.000 0.999 284 F HN 0.313 nan 8.300 nan 0.000 0.475 285 Y N -0.574 119.517 120.300 -0.348 0.000 2.574 285 Y HA -0.148 4.402 4.550 0.000 0.000 0.294 285 Y C 2.430 178.169 175.900 -0.268 0.000 1.142 285 Y CA 0.831 58.692 58.100 -0.399 0.000 1.314 285 Y CB -0.673 37.687 38.460 -0.167 0.000 0.991 285 Y HN 0.181 nan 8.280 nan 0.000 0.555 286 C N -1.559 117.698 119.300 -0.071 0.000 2.525 286 C HA -0.068 4.392 4.460 0.000 0.000 0.291 286 C C 2.479 177.429 174.990 -0.066 0.000 1.351 286 C CA -0.174 58.828 59.018 -0.028 0.000 1.771 286 C CB -0.549 27.206 27.740 0.024 0.000 2.177 286 C HN 0.510 nan 8.230 nan 0.000 0.510 287 D N 2.104 122.439 120.400 -0.109 0.000 2.106 287 D HA -0.224 4.416 4.640 0.000 0.000 0.191 287 D C 2.077 178.285 176.300 -0.154 0.000 0.997 287 D CA 2.135 56.073 54.000 -0.103 0.000 0.834 287 D CB -0.038 40.711 40.800 -0.084 0.000 0.956 287 D HN 0.664 nan 8.370 nan 0.000 0.448 288 K N 0.403 120.612 120.400 -0.319 0.000 2.211 288 K HA 0.018 4.338 4.320 0.000 0.000 0.201 288 K C 1.908 178.405 176.600 -0.172 0.000 1.052 288 K CA 0.787 56.897 56.287 -0.294 0.000 0.973 288 K CB -0.115 32.068 32.500 -0.528 0.000 0.766 288 K HN -0.072 nan 8.250 nan 0.000 0.466 289 E N 1.072 121.184 120.200 -0.146 0.000 2.502 289 E HA 0.044 4.394 4.350 0.000 0.000 0.194 289 E C -0.759 175.825 176.600 -0.027 0.000 1.062 289 E CA 0.012 56.379 56.400 -0.056 0.000 0.867 289 E CB 0.047 29.735 29.700 -0.020 0.000 0.888 289 E HN 0.212 nan 8.360 nan 0.000 0.510 290 K N -0.040 120.341 120.400 -0.033 0.000 3.393 290 K HA -0.204 4.116 4.320 0.000 0.000 0.272 290 K C -0.956 175.664 176.600 0.034 0.000 1.004 290 K CA 0.264 56.550 56.287 -0.001 0.000 0.764 290 K CB -1.614 30.887 32.500 0.002 0.000 1.373 290 K HN 0.095 nan 8.250 nan 0.000 0.458 291 L N -2.535 118.718 121.223 0.051 0.000 2.216 291 L HA 0.862 5.202 4.340 0.000 0.000 0.260 291 L C -0.335 176.652 176.870 0.195 0.000 1.036 291 L CA -0.938 53.965 54.840 0.105 0.000 0.914 291 L CB 0.382 42.483 42.059 0.071 0.000 1.501 291 L HN -0.016 nan 8.230 nan 0.000 0.485 292 F N 0.987 120.950 119.950 0.022 0.000 2.902 292 F HA 0.713 5.240 4.527 0.000 0.000 0.368 292 F C -1.534 174.269 175.800 0.005 0.000 1.202 292 F CA -1.106 56.896 58.000 0.003 0.000 1.109 292 F CB 1.323 40.324 39.000 0.002 0.000 1.418 292 F HN 0.165 nan 8.300 nan 0.000 0.527 293 V N 8.064 127.869 119.914 -0.181 0.000 2.325 293 V HA 0.262 4.382 4.120 0.000 0.000 0.280 293 V C 0.761 176.684 176.094 -0.285 0.000 1.016 293 V CA -0.420 61.736 62.300 -0.240 0.000 0.818 293 V CB 1.067 32.855 31.823 -0.057 0.000 1.019 293 V HN 0.941 nan 8.190 nan 0.000 0.434 294 L N 1.545 122.462 121.223 -0.511 0.000 2.062 294 L HA 0.245 4.585 4.340 0.000 0.000 0.202 294 L C 1.361 178.094 176.870 -0.228 0.000 1.079 294 L CA 1.104 55.674 54.840 -0.450 0.000 0.755 294 L CB 0.388 42.035 42.059 -0.686 0.000 0.913 294 L HN 0.714 nan 8.230 nan 0.000 0.445 295 E N 0.514 120.570 120.200 -0.238 0.000 2.360 295 E HA -0.115 4.236 4.350 0.000 0.000 0.269 295 E C 0.766 177.331 176.600 -0.058 0.000 1.022 295 E CA 0.415 56.725 56.400 -0.150 0.000 0.887 295 E CB 1.202 30.706 29.700 -0.327 0.000 0.990 295 E HN 0.242 nan 8.360 nan 0.000 0.426 296 E N 3.889 124.096 120.200 0.013 0.000 2.031 296 E HA -0.315 4.035 4.350 0.000 0.000 0.193 296 E C 1.496 178.144 176.600 0.081 0.000 0.994 296 E CA 1.577 58.011 56.400 0.057 0.000 0.800 296 E CB -0.064 29.683 29.700 0.079 0.000 0.752 296 E HN 0.768 nan 8.360 nan 0.000 0.447 297 E N 0.210 120.451 120.200 0.069 0.000 2.086 297 E HA -0.347 4.003 4.350 0.000 0.000 0.205 297 E C 1.970 178.673 176.600 0.172 0.000 1.027 297 E CA 2.071 58.542 56.400 0.119 0.000 0.830 297 E CB -0.560 29.188 29.700 0.079 0.000 0.751 297 E HN 0.603 nan 8.360 nan 0.000 0.456 298 H N -0.199 118.877 119.070 0.010 0.000 2.422 298 H HA -0.051 4.505 4.556 0.000 0.000 0.298 298 H C 2.465 177.781 175.328 -0.019 0.000 1.098 298 H CA 1.112 57.151 56.048 -0.017 0.000 1.315 298 H CB 0.063 29.795 29.762 -0.050 0.000 1.382 298 H HN 0.209 nan 8.280 nan 0.000 0.523 299 R N 0.071 120.645 120.500 0.123 0.000 2.120 299 R HA -0.110 4.230 4.340 0.000 0.000 0.234 299 R C 2.020 178.349 176.300 0.049 0.000 1.123 299 R CA 1.049 57.190 56.100 0.067 0.000 0.975 299 R CB -0.128 30.209 30.300 0.061 0.000 0.866 299 R HN 0.218 nan 8.270 nan 0.000 0.446 300 I N 0.695 121.302 120.570 0.061 0.000 2.252 300 I HA -0.205 3.965 4.170 0.000 0.000 0.245 300 I C 2.635 178.755 176.117 0.006 0.000 1.102 300 I CA 1.203 62.522 61.300 0.030 0.000 1.385 300 I CB -0.326 37.706 38.000 0.053 0.000 1.064 300 I HN 0.049 nan 8.210 nan 0.000 0.414 301 R N 0.512 121.031 120.500 0.031 0.000 2.091 301 R HA -0.220 4.120 4.340 0.000 0.000 0.238 301 R C 2.299 178.560 176.300 -0.065 0.000 1.136 301 R CA 1.679 57.773 56.100 -0.009 0.000 0.959 301 R CB -0.439 29.853 30.300 -0.013 0.000 0.856 301 R HN 0.286 nan 8.270 nan 0.000 0.437 302 L N 0.316 121.502 121.223 -0.062 0.000 1.948 302 L HA -0.146 4.195 4.340 0.000 0.000 0.212 302 L C 2.220 179.005 176.870 -0.143 0.000 1.074 302 L CA 1.888 56.670 54.840 -0.096 0.000 0.753 302 L CB -0.741 41.286 42.059 -0.053 0.000 0.888 302 L HN 0.108 nan 8.230 nan 0.000 0.432 303 V N -0.784 119.077 119.914 -0.090 0.000 2.982 303 V HA -0.178 3.942 4.120 0.000 0.000 0.265 303 V C 2.093 178.064 176.094 -0.205 0.000 1.122 303 V CA 1.465 63.705 62.300 -0.099 0.000 1.143 303 V CB -0.181 31.650 31.823 0.012 0.000 0.726 303 V HN 0.367 nan 8.190 nan 0.000 0.507 304 V N 0.706 120.490 119.914 -0.217 0.000 2.251 304 V HA -0.213 3.907 4.120 0.000 0.000 0.233 304 V C 2.455 178.402 176.094 -0.244 0.000 1.041 304 V CA 2.274 64.407 62.300 -0.277 0.000 1.000 304 V CB -0.922 30.782 31.823 -0.199 0.000 0.643 304 V HN 0.741 nan 8.190 nan 0.000 0.460 305 N N 0.314 118.902 118.700 -0.187 0.000 2.111 305 N HA -0.299 4.441 4.740 0.000 0.000 0.197 305 N C 1.926 177.294 175.510 -0.237 0.000 1.011 305 N CA 1.903 54.849 53.050 -0.174 0.000 0.880 305 N CB -0.157 38.248 38.487 -0.136 0.000 1.031 305 N HN 0.317 nan 8.380 nan 0.000 0.444 306 R N 0.331 120.622 120.500 -0.349 0.000 2.096 306 R HA -0.035 4.305 4.340 0.000 0.000 0.235 306 R C 1.883 177.883 176.300 -0.499 0.000 1.127 306 R CA 0.797 56.583 56.100 -0.523 0.000 0.968 306 R CB -0.450 29.177 30.300 -1.122 0.000 0.861 306 R HN 0.425 nan 8.270 nan 0.000 0.440 307 L N -0.319 120.606 121.223 -0.496 0.000 2.667 307 L HA 0.321 4.661 4.340 0.000 0.000 0.232 307 L C 0.740 177.356 176.870 -0.423 0.000 1.138 307 L CA 0.002 54.406 54.840 -0.727 0.000 0.921 307 L CB -0.034 41.738 42.059 -0.478 0.000 1.180 307 L HN 0.122 nan 8.230 nan 0.000 0.487 308 G N 1.419 110.067 108.800 -0.253 0.000 2.306 308 G HA2 -0.274 3.686 3.960 0.000 0.000 0.274 308 G HA3 -0.274 3.686 3.960 0.000 0.000 0.274 308 G C 0.730 175.572 174.900 -0.097 0.000 0.890 308 G CA 0.313 45.339 45.100 -0.124 0.000 1.298 308 G HN 0.413 nan 8.290 nan 0.000 0.445 309 L N -0.219 120.916 121.223 -0.147 0.000 2.395 309 L HA 0.111 4.451 4.340 0.000 0.000 0.218 309 L C 0.832 177.696 176.870 -0.010 0.000 1.130 309 L CA 0.922 55.679 54.840 -0.137 0.000 0.826 309 L CB 0.024 41.812 42.059 -0.451 0.000 0.941 309 L HN 0.548 nan 8.230 nan 0.000 0.451 310 D N -1.537 118.865 120.400 0.004 0.000 2.485 310 D HA 0.141 4.781 4.640 0.000 0.000 0.229 310 D C 0.550 176.870 176.300 0.032 0.000 1.101 310 D CA -0.141 53.896 54.000 0.061 0.000 0.906 310 D CB 1.108 41.951 40.800 0.073 0.000 1.019 310 D HN 0.041 nan 8.370 nan 0.000 0.516 311 S N 0.824 116.547 115.700 0.039 0.000 2.658 311 S HA 0.095 4.565 4.470 0.000 0.000 0.277 311 S C 1.127 175.746 174.600 0.033 0.000 1.078 311 S CA -0.405 57.811 58.200 0.027 0.000 1.124 311 S CB 0.003 63.216 63.200 0.022 0.000 1.016 311 S HN 0.309 nan 8.310 nan 0.000 0.543 312 L N 1.313 122.564 121.223 0.047 0.000 2.701 312 L HA 0.731 5.071 4.340 0.000 0.000 0.238 312 L C 0.628 177.528 176.870 0.050 0.000 1.106 312 L CA 0.484 55.352 54.840 0.047 0.000 0.898 312 L CB 0.939 43.031 42.059 0.055 0.000 1.188 312 L HN 0.549 nan 8.230 nan 0.000 0.508 313 A N -0.196 122.659 122.820 0.059 0.000 2.522 313 A HA 0.557 4.877 4.320 0.000 0.000 0.294 313 A C -2.872 174.756 177.584 0.074 0.000 1.001 313 A CA -0.720 51.350 52.037 0.055 0.000 0.642 313 A CB 0.257 19.289 19.000 0.054 0.000 1.326 313 A HN -0.180 nan 8.150 nan 0.000 0.435 314 P HA 0.494 nan 4.420 nan 0.000 0.276 314 P C -0.941 176.432 177.300 0.121 0.000 1.244 314 P CA -0.123 63.028 63.100 0.084 0.000 0.801 314 P CB 0.487 32.216 31.700 0.049 0.000 1.006 315 F N 1.712 121.655 119.950 -0.011 0.000 2.293 315 F HA 0.231 4.759 4.527 0.000 0.000 0.370 315 F C -0.016 175.767 175.800 -0.029 0.000 1.090 315 F CA -0.704 57.283 58.000 -0.020 0.000 1.133 315 F CB 0.244 39.228 39.000 -0.027 0.000 1.360 315 F HN 0.092 nan 8.300 nan 0.000 0.489 316 D N 8.619 128.800 120.400 -0.365 0.000 2.393 316 D HA 0.207 4.847 4.640 0.000 0.000 0.232 316 D C -1.778 174.247 176.300 -0.458 0.000 1.192 316 D CA -2.428 51.409 54.000 -0.273 0.000 0.882 316 D CB 1.530 42.226 40.800 -0.173 0.000 1.038 316 D HN 0.254 nan 8.370 nan 0.000 0.499 317 P HA -0.071 nan 4.420 nan 0.000 0.225 317 P C 1.099 178.215 177.300 -0.306 0.000 1.156 317 P CA 0.532 63.405 63.100 -0.378 0.000 0.787 317 P CB 0.305 31.953 31.700 -0.086 0.000 0.802 318 K N 0.008 120.338 120.400 -0.116 0.000 2.585 318 K HA -0.112 4.208 4.320 0.000 0.000 0.194 318 K C 1.586 178.177 176.600 -0.015 0.000 1.037 318 K CA 0.856 57.166 56.287 0.037 0.000 0.964 318 K CB 0.022 32.559 32.500 0.062 0.000 0.787 318 K HN 0.067 nan 8.250 nan 0.000 0.488 319 E N -1.137 118.985 120.200 -0.130 0.000 2.679 319 E HA 0.050 4.400 4.350 0.000 0.000 0.221 319 E C 0.779 177.275 176.600 -0.173 0.000 0.928 319 E CA -0.075 56.256 56.400 -0.115 0.000 1.296 319 E CB 0.580 30.216 29.700 -0.108 0.000 1.235 319 E HN 0.062 nan 8.360 nan 0.000 0.622 320 R N -0.056 120.265 120.500 -0.297 0.000 2.250 320 R HA 0.334 4.674 4.340 0.000 0.000 0.194 320 R C 0.933 177.112 176.300 -0.202 0.000 0.927 320 R CA 0.101 56.005 56.100 -0.326 0.000 1.052 320 R CB 0.540 30.398 30.300 -0.738 0.000 1.055 320 R HN 0.094 nan 8.270 nan 0.000 0.537 321 I N 1.722 122.154 120.570 -0.230 0.000 2.428 321 I HA 0.100 4.270 4.170 0.000 0.000 0.289 321 I C 1.808 177.896 176.117 -0.048 0.000 1.019 321 I CA -0.232 60.959 61.300 -0.182 0.000 1.351 321 I CB 1.216 38.969 38.000 -0.412 0.000 1.412 321 I HN -0.142 nan 8.210 nan 0.000 0.513 322 I N 3.628 124.190 120.570 -0.014 0.000 2.113 322 I HA -0.227 3.943 4.170 0.000 0.000 0.238 322 I C 1.938 178.113 176.117 0.097 0.000 1.070 322 I CA 1.567 62.896 61.300 0.048 0.000 1.332 322 I CB -0.212 37.825 38.000 0.062 0.000 1.044 322 I HN 0.668 nan 8.210 nan 0.000 0.402 323 E N 0.086 120.357 120.200 0.119 0.000 2.393 323 E HA -0.226 4.124 4.350 0.000 0.000 0.201 323 E C 1.592 178.334 176.600 0.238 0.000 1.025 323 E CA 1.279 57.778 56.400 0.165 0.000 0.856 323 E CB -0.173 29.625 29.700 0.164 0.000 0.771 323 E HN 0.531 nan 8.360 nan 0.000 0.526 324 Y N -1.216 119.075 120.300 -0.015 0.000 2.441 324 Y HA 0.183 4.733 4.550 0.000 0.000 0.288 324 Y C 1.787 177.679 175.900 -0.013 0.000 1.118 324 Y CA -0.200 57.891 58.100 -0.015 0.000 1.215 324 Y CB -0.387 38.059 38.460 -0.023 0.000 1.118 324 Y HN -0.019 nan 8.280 nan 0.000 0.547 325 L N -0.471 120.848 121.223 0.160 0.000 2.012 325 L HA -0.103 4.237 4.340 0.000 0.000 0.210 325 L C 0.862 177.771 176.870 0.066 0.000 1.073 325 L CA 1.405 56.295 54.840 0.084 0.000 0.748 325 L CB -0.062 42.032 42.059 0.057 0.000 0.891 325 L HN 0.106 nan 8.230 nan 0.000 0.431 326 V N -0.947 119.008 119.914 0.069 0.000 2.266 326 V HA 0.455 4.575 4.120 0.000 0.000 0.266 326 V C -2.415 173.704 176.094 0.042 0.000 1.036 326 V CA -1.966 60.366 62.300 0.053 0.000 0.828 326 V CB 0.491 32.349 31.823 0.059 0.000 1.081 326 V HN -0.037 nan 8.190 nan 0.000 0.449 327 P HA 0.141 nan 4.420 nan 0.000 0.271 327 P C -0.424 176.877 177.300 0.002 0.000 1.238 327 P CA 0.230 63.324 63.100 -0.009 0.000 0.794 327 P CB 0.369 32.047 31.700 -0.037 0.000 0.959 328 D N -0.529 119.867 120.400 -0.006 0.000 2.622 328 D HA 0.046 4.686 4.640 0.000 0.000 0.262 328 D C 0.368 176.668 176.300 0.000 0.000 1.189 328 D CA -0.299 53.704 54.000 0.005 0.000 0.985 328 D CB 0.158 40.965 40.800 0.010 0.000 0.994 328 D HN 0.251 nan 8.370 nan 0.000 0.513 329 S N 1.044 116.746 115.700 0.002 0.000 2.325 329 S HA 0.319 4.789 4.470 0.000 0.000 0.213 329 S C 1.452 176.057 174.600 0.009 0.000 1.031 329 S CA 0.639 58.839 58.200 0.001 0.000 0.984 329 S CB -0.631 62.570 63.200 0.002 0.000 0.939 329 S HN 0.869 nan 8.310 nan 0.000 0.438 330 G N 1.861 110.670 108.800 0.015 0.000 2.428 330 G HA2 0.126 4.086 3.960 0.000 0.000 0.202 330 G HA3 0.126 4.086 3.960 0.000 0.000 0.202 330 G C -3.057 171.854 174.900 0.019 0.000 1.247 330 G CA -0.500 44.612 45.100 0.019 0.000 1.020 330 G HN 0.688 nan 8.290 nan 0.000 0.529 331 P HA 0.571 nan 4.420 nan 0.000 0.296 331 P C -0.322 176.992 177.300 0.024 0.000 1.306 331 P CA 0.006 63.119 63.100 0.022 0.000 0.818 331 P CB 1.248 32.961 31.700 0.022 0.000 0.969 332 E N 0.342 120.556 120.200 0.022 0.000 8.683 332 E HA -0.196 4.154 4.350 0.000 0.000 0.467 332 E C -0.472 176.142 176.600 0.022 0.000 1.143 332 E CA 0.520 56.934 56.400 0.023 0.000 1.985 332 E CB -0.765 28.952 29.700 0.029 0.000 1.008 332 E HN 0.594 nan 8.360 nan 0.000 0.308 333 Q N 0.150 119.962 119.800 0.021 0.000 2.317 333 Q HA 0.433 4.773 4.340 0.000 0.000 0.229 333 Q C 0.311 176.324 176.000 0.021 0.000 0.984 333 Q CA -0.282 55.531 55.803 0.017 0.000 0.911 333 Q CB 1.146 29.893 28.738 0.014 0.000 1.217 333 Q HN 0.450 nan 8.270 nan 0.000 0.501 334 S N 0.026 115.733 115.700 0.013 0.000 2.592 334 S HA 0.135 4.605 4.470 0.000 0.000 0.271 334 S C 0.927 175.540 174.600 0.022 0.000 1.326 334 S CA -0.456 57.751 58.200 0.013 0.000 1.024 334 S CB 0.367 63.561 63.200 -0.010 0.000 0.921 334 S HN 0.553 nan 8.310 nan 0.000 0.527 335 L N 4.332 125.580 121.223 0.042 0.000 2.141 335 L HA -0.006 4.334 4.340 0.000 0.000 0.209 335 L C 2.289 179.158 176.870 -0.001 0.000 1.094 335 L CA 0.967 55.853 54.840 0.077 0.000 0.763 335 L CB -0.561 41.615 42.059 0.195 0.000 0.908 335 L HN 0.683 nan 8.230 nan 0.000 0.437 336 L N -0.127 121.056 121.223 -0.067 0.000 2.283 336 L HA -0.298 4.042 4.340 0.000 0.000 0.217 336 L C 1.440 178.265 176.870 -0.075 0.000 1.104 336 L CA 1.150 55.921 54.840 -0.116 0.000 0.772 336 L CB -0.471 41.529 42.059 -0.098 0.000 0.899 336 L HN 0.443 nan 8.230 nan 0.000 0.439 337 D N -0.931 119.448 120.400 -0.034 0.000 2.369 337 D HA 0.200 4.840 4.640 0.000 0.000 0.211 337 D C 0.643 176.942 176.300 -0.002 0.000 1.077 337 D CA 0.298 54.285 54.000 -0.021 0.000 0.842 337 D CB 0.594 41.385 40.800 -0.015 0.000 0.947 337 D HN 0.209 nan 8.370 nan 0.000 0.509 338 A N 1.016 123.847 122.820 0.017 0.000 2.325 338 A HA 0.506 4.826 4.320 0.000 0.000 0.333 338 A C 0.581 178.193 177.584 0.047 0.000 1.155 338 A CA -0.538 51.520 52.037 0.035 0.000 0.814 338 A CB 0.913 19.943 19.000 0.050 0.000 1.206 338 A HN 0.064 nan 8.150 nan 0.000 0.482 339 S N 1.284 117.008 115.700 0.040 0.000 2.536 339 S HA -0.043 4.427 4.470 0.000 0.000 0.290 339 S C 1.151 175.797 174.600 0.076 0.000 1.302 339 S CA 0.313 58.538 58.200 0.042 0.000 1.037 339 S CB -0.054 63.167 63.200 0.034 0.000 0.804 339 S HN 1.347 nan 8.310 nan 0.000 0.506 340 L N 1.899 123.161 121.223 0.065 0.000 1.978 340 L HA -0.189 4.151 4.340 0.000 0.000 0.218 340 L C 2.815 179.760 176.870 0.125 0.000 1.075 340 L CA 2.449 57.352 54.840 0.105 0.000 0.767 340 L CB -0.864 41.236 42.059 0.069 0.000 0.890 340 L HN 0.916 nan 8.230 nan 0.000 0.434 341 R N -0.845 119.697 120.500 0.071 0.000 2.113 341 R HA -0.272 4.068 4.340 0.000 0.000 0.244 341 R C 2.131 178.460 176.300 0.048 0.000 1.142 341 R CA 1.834 57.963 56.100 0.048 0.000 0.953 341 R CB -0.545 29.772 30.300 0.029 0.000 0.860 341 R HN 0.601 nan 8.270 nan 0.000 0.438 342 A N 0.510 123.369 122.820 0.065 0.000 1.851 342 A HA -0.234 4.086 4.320 0.000 0.000 0.216 342 A C 2.011 179.643 177.584 0.080 0.000 1.195 342 A CA 1.584 53.658 52.037 0.062 0.000 0.622 342 A CB -0.984 18.059 19.000 0.071 0.000 0.831 342 A HN 0.528 nan 8.150 nan 0.000 0.444 343 F N 0.576 120.521 119.950 -0.009 0.000 2.065 343 F HA -0.215 4.312 4.527 0.000 0.000 0.298 343 F C 2.431 178.224 175.800 -0.013 0.000 1.112 343 F CA 2.266 60.259 58.000 -0.011 0.000 1.212 343 F CB -0.591 38.403 39.000 -0.011 0.000 0.975 343 F HN 0.130 nan 8.300 nan 0.000 0.476 344 V N 1.840 121.683 119.914 -0.119 0.000 2.261 344 V HA -0.213 3.907 4.120 0.000 0.000 0.246 344 V C 1.655 177.633 176.094 -0.192 0.000 1.047 344 V CA 1.885 64.062 62.300 -0.204 0.000 1.015 344 V CB -0.534 31.263 31.823 -0.043 0.000 0.642 344 V HN 0.379 nan 8.190 nan 0.000 0.446 345 R N 0.300 120.738 120.500 -0.104 0.000 4.263 345 R HA 0.220 4.560 4.340 0.000 0.000 0.248 345 R C 0.663 176.908 176.300 -0.090 0.000 1.796 345 R CA 0.435 56.486 56.100 -0.081 0.000 1.518 345 R CB 0.201 30.477 30.300 -0.040 0.000 1.342 345 R HN 0.635 nan 8.270 nan 0.000 0.706 346 E N -0.095 120.013 120.200 -0.153 0.000 3.575 346 E HA -0.103 4.247 4.350 0.000 0.000 0.263 346 E C 1.472 177.953 176.600 -0.198 0.000 1.230 346 E CA 0.703 57.014 56.400 -0.148 0.000 1.875 346 E CB -0.512 29.107 29.700 -0.136 0.000 1.961 346 E HN -0.032 nan 8.360 nan 0.000 0.904 347 V N 0.852 120.563 119.914 -0.338 0.000 2.277 347 V HA -0.131 3.989 4.120 0.000 0.000 0.253 347 V C 1.789 177.768 176.094 -0.192 0.000 1.067 347 V CA 2.784 64.900 62.300 -0.307 0.000 1.047 347 V CB -1.408 30.154 31.823 -0.435 0.000 0.649 347 V HN 0.332 nan 8.190 nan 0.000 0.447 348 G N -0.267 108.429 108.800 -0.173 0.000 3.061 348 G HA2 0.438 4.398 3.960 0.000 0.000 0.208 348 G HA3 0.438 4.398 3.960 0.000 0.000 0.208 348 G C 0.575 175.422 174.900 -0.089 0.000 1.175 348 G CA 0.441 45.472 45.100 -0.115 0.000 0.812 348 G HN 1.143 nan 8.290 nan 0.000 0.523 349 A N -0.032 122.734 122.820 -0.091 0.000 2.310 349 A HA 0.510 4.830 4.320 0.000 0.000 0.260 349 A C 1.403 178.953 177.584 -0.056 0.000 1.112 349 A CA -0.502 51.498 52.037 -0.063 0.000 0.804 349 A CB 0.215 19.181 19.000 -0.055 0.000 1.081 349 A HN 0.234 nan 8.150 nan 0.000 0.499 350 R N 0.501 120.978 120.500 -0.038 0.000 2.416 350 R HA -0.062 4.278 4.340 0.000 0.000 0.205 350 R C 0.558 176.841 176.300 -0.029 0.000 1.150 350 R CA 0.763 56.846 56.100 -0.029 0.000 1.139 350 R CB -1.082 29.208 30.300 -0.016 0.000 0.861 350 R HN 0.729 nan 8.270 nan 0.000 0.480 351 S N -0.956 114.715 115.700 -0.047 0.000 2.589 351 S HA 0.073 4.543 4.470 0.000 0.000 0.306 351 S C 1.339 175.890 174.600 -0.081 0.000 1.221 351 S CA -0.057 58.107 58.200 -0.061 0.000 1.159 351 S CB 1.499 64.643 63.200 -0.093 0.000 0.990 351 S HN 0.343 nan 8.310 nan 0.000 0.514 352 A N 4.387 127.178 122.820 -0.050 0.000 2.019 352 A HA 0.235 4.555 4.320 0.000 0.000 0.219 352 A C 2.189 179.564 177.584 -0.348 0.000 1.164 352 A CA 1.339 53.325 52.037 -0.085 0.000 0.644 352 A CB -1.227 17.832 19.000 0.098 0.000 0.805 352 A HN 1.240 nan 8.150 nan 0.000 0.449 353 A N 0.679 123.338 122.820 -0.270 0.000 1.881 353 A HA 0.177 4.497 4.320 0.000 0.000 0.208 353 A C -0.990 176.379 177.584 -0.359 0.000 1.264 353 A CA 0.898 52.719 52.037 -0.359 0.000 0.629 353 A CB -1.717 17.248 19.000 -0.058 0.000 0.906 353 A HN 0.467 nan 8.150 nan 0.000 0.476 354 P HA 0.455 nan 4.420 nan 0.000 0.272 354 P C -0.015 177.175 177.300 -0.183 0.000 1.230 354 P CA 0.916 63.934 63.100 -0.137 0.000 0.788 354 P CB 0.742 32.376 31.700 -0.111 0.000 0.949 355 G N -1.051 107.669 108.800 -0.132 0.000 2.321 355 G HA2 0.415 4.375 3.960 0.000 0.000 0.339 355 G HA3 0.415 4.375 3.960 0.000 0.000 0.339 355 G C 0.136 174.998 174.900 -0.062 0.000 1.518 355 G CA 0.434 45.463 45.100 -0.118 0.000 0.994 355 G HN 0.761 nan 8.290 nan 0.000 0.668 356 G N 0.278 109.062 108.800 -0.027 0.000 3.284 356 G HA2 -0.082 3.878 3.960 0.000 0.000 0.351 356 G HA3 -0.082 3.878 3.960 0.000 0.000 0.351 356 G C 2.124 177.066 174.900 0.069 0.000 1.232 356 G CA 2.536 47.651 45.100 0.024 0.000 1.001 356 G HN 2.472 nan 8.290 nan 0.000 0.639 357 G N -0.192 108.645 108.800 0.061 0.000 2.499 357 G HA2 0.010 3.970 3.960 0.000 0.000 0.221 357 G HA3 0.010 3.970 3.960 0.000 0.000 0.221 357 G C 2.018 176.966 174.900 0.081 0.000 1.109 357 G CA 2.171 47.318 45.100 0.079 0.000 0.749 357 G HN 1.116 nan 8.290 nan 0.000 0.568 358 S N -0.804 114.943 115.700 0.077 0.000 2.356 358 S HA -0.062 4.409 4.470 0.000 0.000 0.219 358 S C 2.507 177.221 174.600 0.189 0.000 1.036 358 S CA 1.192 59.469 58.200 0.128 0.000 0.965 358 S CB -0.431 62.860 63.200 0.152 0.000 0.864 358 S HN 0.379 nan 8.310 nan 0.000 0.471 359 V N 2.234 122.257 119.914 0.181 0.000 2.490 359 V HA -0.028 4.092 4.120 0.000 0.000 0.250 359 V C 2.259 178.442 176.094 0.148 0.000 1.061 359 V CA 2.063 64.481 62.300 0.197 0.000 1.064 359 V CB -1.285 30.607 31.823 0.114 0.000 0.670 359 V HN 0.503 nan 8.190 nan 0.000 0.461 360 A N 0.828 123.728 122.820 0.133 0.000 1.869 360 A HA -0.183 4.137 4.320 0.000 0.000 0.218 360 A C 2.621 180.263 177.584 0.098 0.000 1.203 360 A CA 3.237 55.353 52.037 0.131 0.000 0.638 360 A CB -1.566 17.518 19.000 0.140 0.000 0.831 360 A HN 1.152 nan 8.150 nan 0.000 0.450 361 A N -0.532 122.337 122.820 0.080 0.000 1.892 361 A HA 0.048 4.368 4.320 0.000 0.000 0.218 361 A C 2.551 180.148 177.584 0.022 0.000 1.188 361 A CA 2.811 54.873 52.037 0.042 0.000 0.631 361 A CB -1.160 17.858 19.000 0.029 0.000 0.822 361 A HN 1.257 nan 8.150 nan 0.000 0.447 362 A N -0.648 122.194 122.820 0.037 0.000 1.898 362 A HA 0.051 4.371 4.320 0.000 0.000 0.216 362 A C 2.204 179.804 177.584 0.027 0.000 1.181 362 A CA 1.720 53.755 52.037 -0.004 0.000 0.620 362 A CB -1.005 17.990 19.000 -0.009 0.000 0.819 362 A HN 0.538 nan 8.150 nan 0.000 0.442 363 V N 0.026 119.981 119.914 0.069 0.000 2.392 363 V HA -0.264 3.856 4.120 0.000 0.000 0.249 363 V C 2.929 179.049 176.094 0.043 0.000 1.059 363 V CA 1.962 64.301 62.300 0.065 0.000 1.051 363 V CB -1.467 30.409 31.823 0.089 0.000 0.658 363 V HN 0.585 nan 8.190 nan 0.000 0.455 364 A N 0.002 122.844 122.820 0.037 0.000 1.929 364 A HA 0.081 4.401 4.320 0.000 0.000 0.216 364 A C 2.374 179.952 177.584 -0.011 0.000 1.176 364 A CA 1.707 53.751 52.037 0.012 0.000 0.628 364 A CB -0.594 18.410 19.000 0.007 0.000 0.816 364 A HN 0.573 nan 8.150 nan 0.000 0.444 365 A N -0.772 122.038 122.820 -0.016 0.000 1.970 365 A HA 0.130 4.450 4.320 0.000 0.000 0.216 365 A C 1.913 179.481 177.584 -0.027 0.000 1.170 365 A CA 1.105 53.123 52.037 -0.032 0.000 0.645 365 A CB -0.342 18.625 19.000 -0.055 0.000 0.816 365 A HN 0.353 nan 8.150 nan 0.000 0.447 366 L N -0.121 121.091 121.223 -0.018 0.000 2.083 366 L HA -0.102 4.238 4.340 0.000 0.000 0.209 366 L C 2.583 179.444 176.870 -0.014 0.000 1.083 366 L CA 1.879 56.711 54.840 -0.013 0.000 0.752 366 L CB -1.865 40.196 42.059 0.004 0.000 0.899 366 L HN 0.423 nan 8.230 nan 0.000 0.433 367 G N -0.723 108.072 108.800 -0.009 0.000 2.484 367 G HA2 -0.245 3.715 3.960 0.000 0.000 0.215 367 G HA3 -0.245 3.715 3.960 0.000 0.000 0.215 367 G C 1.741 176.618 174.900 -0.039 0.000 1.219 367 G CA 1.152 46.242 45.100 -0.017 0.000 0.791 367 G HN 0.485 nan 8.290 nan 0.000 0.550 368 A N 1.296 124.114 122.820 -0.003 0.000 1.873 368 A HA 0.110 4.430 4.320 0.000 0.000 0.218 368 A C 2.863 180.444 177.584 -0.004 0.000 1.193 368 A CA 2.875 54.958 52.037 0.076 0.000 0.629 368 A CB -1.081 17.988 19.000 0.116 0.000 0.826 368 A HN 1.030 nan 8.150 nan 0.000 0.447 369 A N -0.707 122.107 122.820 -0.009 0.000 1.940 369 A HA -0.089 4.231 4.320 0.000 0.000 0.219 369 A C 2.198 179.750 177.584 -0.053 0.000 1.176 369 A CA 1.641 53.671 52.037 -0.013 0.000 0.631 369 A CB -0.609 18.382 19.000 -0.014 0.000 0.814 369 A HN 0.493 nan 8.150 nan 0.000 0.446 370 L N -0.885 120.290 121.223 -0.081 0.000 1.994 370 L HA -0.219 4.121 4.340 0.000 0.000 0.208 370 L C 3.133 179.890 176.870 -0.187 0.000 1.071 370 L CA 1.340 56.119 54.840 -0.102 0.000 0.745 370 L CB -0.480 41.530 42.059 -0.082 0.000 0.892 370 L HN 0.431 nan 8.230 nan 0.000 0.431 371 A N -0.949 121.663 122.820 -0.346 0.000 1.877 371 A HA -0.165 4.155 4.320 0.000 0.000 0.216 371 A C 1.782 179.035 177.584 -0.553 0.000 1.186 371 A CA 1.384 53.023 52.037 -0.664 0.000 0.620 371 A CB -0.690 17.415 19.000 -1.492 0.000 0.822 371 A HN 0.417 nan 8.150 nan 0.000 0.443 375 G N 0.869 109.621 108.800 -0.081 0.000 2.446 375 G HA2 -0.172 3.788 3.960 0.000 0.000 0.217 375 G HA3 -0.172 3.788 3.960 0.000 0.000 0.217 375 G C 0.707 175.616 174.900 0.015 0.000 1.168 375 G CA 1.097 46.170 45.100 -0.044 0.000 0.771 375 G HN 0.585 nan 8.290 nan 0.000 0.551 379 Y N 1.337 121.682 120.300 0.075 0.000 2.630 379 Y HA 0.697 5.247 4.550 0.000 0.000 0.337 379 Y C 1.086 177.083 175.900 0.162 0.000 1.051 379 Y CA 0.806 58.974 58.100 0.115 0.000 1.121 379 Y CB 1.236 39.757 38.460 0.103 0.000 1.299 379 Y HN 0.292 nan 8.280 nan 0.000 0.498 380 G N 2.943 111.126 108.800 -1.029 0.000 2.574 380 G HA2 -0.373 3.587 3.960 0.000 0.000 0.301 380 G HA3 -0.373 3.587 3.960 0.000 0.000 0.301 380 G C -0.072 174.687 174.900 -0.234 0.000 1.166 380 G CA 0.331 45.070 45.100 -0.601 0.000 0.971 380 G HN 0.992 nan 8.290 nan 0.000 0.542 381 R N 1.553 121.987 120.500 -0.109 0.000 4.048 381 R HA -0.140 4.200 4.340 0.000 0.000 0.110 381 R C 1.357 177.562 176.300 -0.158 0.000 0.432 381 R CA 1.009 57.045 56.100 -0.106 0.000 0.770 381 R CB -0.090 30.159 30.300 -0.086 0.000 1.125 381 R HN 0.758 nan 8.270 nan 0.000 0.220 382 R N 3.155 123.566 120.500 -0.148 0.000 2.705 382 R HA -0.268 4.072 4.340 0.000 0.000 0.264 382 R C 1.071 177.230 176.300 -0.235 0.000 0.988 382 R CA 1.753 57.764 56.100 -0.148 0.000 1.103 382 R CB 0.321 30.558 30.300 -0.105 0.000 0.950 382 R HN 0.987 nan 8.270 nan 0.000 0.427 383 Q N 0.565 120.247 119.800 -0.196 0.000 7.550 383 Q HA -0.236 4.104 4.340 0.000 0.000 0.353 383 Q C 0.031 175.885 176.000 -0.244 0.000 1.261 383 Q CA 1.490 57.147 55.803 -0.243 0.000 0.522 383 Q CB -1.806 26.664 28.738 -0.448 0.000 0.181 383 Q HN 0.640 nan 8.270 nan 0.000 0.868 384 F N 2.012 121.834 119.950 -0.215 0.000 2.773 384 F HA 0.190 4.717 4.527 0.000 0.000 0.304 384 F C 0.966 176.474 175.800 -0.486 0.000 1.129 384 F CA 0.001 57.771 58.000 -0.384 0.000 1.378 384 F CB 0.238 39.125 39.000 -0.189 0.000 1.095 384 F HN 0.189 nan 8.300 nan 0.000 0.565 385 D N -0.055 120.225 120.400 -0.200 0.000 2.133 385 D HA -0.266 4.374 4.640 0.000 0.000 0.192 385 D C 2.047 178.288 176.300 -0.099 0.000 1.001 385 D CA 1.707 55.641 54.000 -0.110 0.000 0.844 385 D CB -0.632 40.145 40.800 -0.038 0.000 0.944 385 D HN 0.466 nan 8.370 nan 0.000 0.447 386 H N -0.360 118.754 119.070 0.073 0.000 2.568 386 H HA -0.005 4.551 4.556 0.000 0.000 0.281 386 H C 1.362 176.723 175.328 0.056 0.000 1.028 386 H CA 0.583 56.665 56.048 0.056 0.000 1.199 386 H CB -0.231 29.563 29.762 0.054 0.000 1.352 386 H HN 0.251 nan 8.280 nan 0.000 0.605 387 L N 0.013 121.200 121.223 -0.060 0.000 2.858 387 L HA 0.106 4.446 4.340 0.000 0.000 0.251 387 L C 1.799 178.676 176.870 0.011 0.000 1.149 387 L CA 0.123 54.966 54.840 0.005 0.000 0.955 387 L CB 0.506 42.541 42.059 -0.039 0.000 1.289 387 L HN 0.052 nan 8.230 nan 0.000 0.542 388 D N 0.396 120.808 120.400 0.019 0.000 2.133 388 D HA -0.238 4.402 4.640 0.000 0.000 0.195 388 D C 2.257 178.577 176.300 0.033 0.000 0.997 388 D CA 1.966 56.011 54.000 0.074 0.000 0.840 388 D CB 0.279 41.113 40.800 0.056 0.000 0.947 388 D HN 0.329 nan 8.370 nan 0.000 0.452 389 S N -0.866 114.841 115.700 0.012 0.000 2.359 389 S HA -0.149 4.321 4.470 0.000 0.000 0.224 389 S C 1.344 175.915 174.600 -0.048 0.000 1.035 389 S CA 1.325 59.514 58.200 -0.018 0.000 1.018 389 S CB -1.421 61.781 63.200 0.003 0.000 0.876 389 S HN 0.365 nan 8.310 nan 0.000 0.448 393 R N 1.149 121.491 120.500 -0.263 0.000 2.119 393 R HA 0.003 4.343 4.340 0.000 0.000 0.222 393 R C 1.217 177.455 176.300 -0.104 0.000 1.088 393 R CA 1.529 57.540 56.100 -0.149 0.000 0.984 393 R CB 0.266 30.513 30.300 -0.088 0.000 0.884 393 R HN 0.094 nan 8.270 nan 0.000 0.447 394 L N -3.126 118.049 121.223 -0.079 0.000 2.803 394 L HA 0.312 4.652 4.340 0.000 0.000 0.246 394 L C 1.544 178.488 176.870 0.124 0.000 1.100 394 L CA 0.412 55.259 54.840 0.012 0.000 0.919 394 L CB -0.476 41.628 42.059 0.074 0.000 1.285 394 L HN -0.061 nan 8.230 nan 0.000 0.522 395 I N 1.320 121.926 120.570 0.060 0.000 2.194 395 I HA -0.188 3.982 4.170 0.000 0.000 0.246 395 I C -0.273 175.959 176.117 0.191 0.000 1.093 395 I CA 1.650 63.029 61.300 0.131 0.000 1.355 395 I CB -1.255 36.776 38.000 0.052 0.000 1.046 395 I HN 0.269 nan 8.210 nan 0.000 0.413 396 P HA -0.126 nan 4.420 nan 0.000 0.210 396 P C -1.235 176.138 177.300 0.122 0.000 1.189 396 P CA 1.882 65.077 63.100 0.159 0.000 0.920 396 P CB -1.470 30.302 31.700 0.120 0.000 0.782 397 P HA -0.230 nan 4.420 nan 0.000 0.219 397 P C 1.452 178.664 177.300 -0.147 0.000 1.153 397 P CA 1.697 64.719 63.100 -0.130 0.000 0.865 397 P CB -0.650 30.880 31.700 -0.283 0.000 0.788 398 F N -1.329 118.626 119.950 0.009 0.000 2.060 398 F HA -0.165 4.362 4.527 0.000 0.000 0.295 398 F C 3.051 178.864 175.800 0.022 0.000 1.120 398 F CA 1.408 59.405 58.000 -0.005 0.000 1.205 398 F CB -1.153 37.847 39.000 0.000 0.000 0.986 398 F HN 0.039 nan 8.300 nan 0.000 0.470 399 H N 0.448 119.627 119.070 0.181 0.000 2.289 399 H HA -0.224 4.332 4.556 0.000 0.000 0.296 399 H C 2.170 177.518 175.328 0.033 0.000 1.091 399 H CA 1.761 57.857 56.048 0.079 0.000 1.274 399 H CB -0.227 29.574 29.762 0.064 0.000 1.364 399 H HN 0.285 nan 8.280 nan 0.000 0.490 400 A N 1.215 124.049 122.820 0.023 0.000 1.877 400 A HA -0.060 4.260 4.320 0.000 0.000 0.216 400 A C 2.749 180.284 177.584 -0.082 0.000 1.186 400 A CA 1.902 53.901 52.037 -0.063 0.000 0.620 400 A CB -1.145 17.865 19.000 0.016 0.000 0.822 400 A HN 0.606 nan 8.150 nan 0.000 0.443 401 A N -0.486 122.300 122.820 -0.057 0.000 1.933 401 A HA -0.126 4.194 4.320 0.000 0.000 0.218 401 A C 2.467 180.015 177.584 -0.061 0.000 1.175 401 A CA 2.290 54.286 52.037 -0.068 0.000 0.628 401 A CB -1.072 17.872 19.000 -0.092 0.000 0.814 401 A HN 0.708 nan 8.150 nan 0.000 0.444 402 S N 0.084 115.759 115.700 -0.043 0.000 2.377 402 S HA -0.192 4.278 4.470 0.000 0.000 0.224 402 S C 2.204 176.744 174.600 -0.099 0.000 1.042 402 S CA 2.282 60.449 58.200 -0.055 0.000 1.086 402 S CB -0.684 62.488 63.200 -0.047 0.000 0.995 402 S HN 1.042 nan 8.310 nan 0.000 0.428 403 A N 0.652 123.379 122.820 -0.156 0.000 1.978 403 A HA -0.156 4.164 4.320 0.000 0.000 0.220 403 A C 2.237 179.757 177.584 -0.107 0.000 1.170 403 A CA 1.887 53.833 52.037 -0.152 0.000 0.636 403 A CB -0.972 17.906 19.000 -0.204 0.000 0.810 403 A HN 0.796 nan 8.150 nan 0.000 0.448 404 Q N -0.603 119.142 119.800 -0.092 0.000 2.119 404 Q HA -0.095 4.245 4.340 0.000 0.000 0.201 404 Q C 1.888 177.854 176.000 -0.057 0.000 0.972 404 Q CA 1.361 57.123 55.803 -0.068 0.000 0.847 404 Q CB -0.172 28.529 28.738 -0.061 0.000 0.903 404 Q HN 0.707 nan 8.270 nan 0.000 0.433 405 L N -0.613 120.575 121.223 -0.059 0.000 2.131 405 L HA -0.096 4.244 4.340 0.000 0.000 0.206 405 L C 2.407 179.243 176.870 -0.056 0.000 1.087 405 L CA 1.171 55.982 54.840 -0.048 0.000 0.767 405 L CB -0.426 41.606 42.059 -0.045 0.000 0.917 405 L HN 0.163 nan 8.230 nan 0.000 0.441 406 T N -0.972 113.536 114.554 -0.076 0.000 2.759 406 T HA -0.230 4.120 4.350 0.000 0.000 0.269 406 T C 2.107 176.753 174.700 -0.089 0.000 1.042 406 T CA 1.816 63.857 62.100 -0.098 0.000 1.140 406 T CB -0.239 68.563 68.868 -0.110 0.000 0.864 406 T HN 0.424 nan 8.240 nan 0.000 0.455 407 S N 0.767 116.424 115.700 -0.071 0.000 2.447 407 S HA 0.065 4.535 4.470 0.000 0.000 0.233 407 S C 1.954 176.533 174.600 -0.035 0.000 1.006 407 S CA 0.413 58.581 58.200 -0.054 0.000 0.957 407 S CB -0.535 62.636 63.200 -0.048 0.000 0.773 407 S HN 0.494 nan 8.310 nan 0.000 0.507 408 L N 1.157 122.362 121.223 -0.030 0.000 2.362 408 L HA -0.012 4.328 4.340 0.000 0.000 0.219 408 L C 2.380 179.251 176.870 0.001 0.000 1.134 408 L CA 0.434 55.269 54.840 -0.008 0.000 0.807 408 L CB -0.530 41.528 42.059 -0.002 0.000 0.927 408 L HN 0.245 nan 8.230 nan 0.000 0.447 409 V N -0.153 119.748 119.914 -0.021 0.000 2.324 409 V HA -0.343 3.777 4.120 0.000 0.000 0.250 409 V C 2.070 178.173 176.094 0.015 0.000 1.060 409 V CA 2.002 64.295 62.300 -0.012 0.000 1.042 409 V CB -0.492 31.275 31.823 -0.093 0.000 0.650 409 V HN 0.456 nan 8.190 nan 0.000 0.450 410 D N 0.320 120.720 120.400 0.001 0.000 2.083 410 D HA -0.092 4.548 4.640 0.000 0.000 0.199 410 D C 2.273 178.594 176.300 0.035 0.000 0.980 410 D CA 1.755 55.766 54.000 0.017 0.000 0.851 410 D CB -0.926 39.875 40.800 0.003 0.000 0.997 410 D HN 0.329 nan 8.370 nan 0.000 0.449 411 A N 1.018 123.854 122.820 0.027 0.000 1.913 411 A HA -0.408 3.912 4.320 0.000 0.000 0.236 411 A C 1.957 179.575 177.584 0.057 0.000 1.760 411 A CA 3.208 55.267 52.037 0.037 0.000 0.740 411 A CB -1.503 17.513 19.000 0.028 0.000 0.847 411 A HN 0.412 nan 8.150 nan 0.000 0.508 412 D N -1.081 119.354 120.400 0.059 0.000 2.092 412 D HA -0.015 4.625 4.640 0.000 0.000 0.193 412 D C 2.047 178.413 176.300 0.109 0.000 0.994 412 D CA 2.318 56.365 54.000 0.078 0.000 0.828 412 D CB -0.336 40.503 40.800 0.064 0.000 0.963 412 D HN 0.498 nan 8.370 nan 0.000 0.450 413 A N 0.013 122.891 122.820 0.096 0.000 1.933 413 A HA -0.137 4.183 4.320 0.000 0.000 0.218 413 A C 2.286 179.963 177.584 0.155 0.000 1.175 413 A CA 1.541 53.654 52.037 0.127 0.000 0.628 413 A CB -0.625 18.431 19.000 0.094 0.000 0.814 413 A HN 0.231 nan 8.150 nan 0.000 0.444 414 R N -0.470 120.092 120.500 0.104 0.000 2.070 414 R HA -0.088 4.252 4.340 0.000 0.000 0.232 414 R C 2.442 178.795 176.300 0.089 0.000 1.138 414 R CA 1.441 57.591 56.100 0.083 0.000 0.936 414 R CB -0.505 29.828 30.300 0.055 0.000 0.839 414 R HN 0.434 nan 8.270 nan 0.000 0.429 415 A N 0.913 123.790 122.820 0.095 0.000 1.870 415 A HA -0.297 4.023 4.320 0.000 0.000 0.219 415 A C 2.054 179.703 177.584 0.108 0.000 1.224 415 A CA 1.987 54.079 52.037 0.091 0.000 0.650 415 A CB -1.230 17.830 19.000 0.101 0.000 0.836 415 A HN 0.562 nan 8.150 nan 0.000 0.454 416 F N 0.859 120.819 119.950 0.018 0.000 2.091 416 F HA -0.190 4.337 4.527 0.000 0.000 0.299 416 F C 2.534 178.341 175.800 0.012 0.000 1.103 416 F CA 1.687 59.696 58.000 0.015 0.000 1.228 416 F CB -0.531 38.481 39.000 0.020 0.000 0.984 416 F HN 0.256 nan 8.300 nan 0.000 0.477 417 A N -0.129 122.706 122.820 0.025 0.000 1.969 417 A HA 0.056 4.376 4.320 0.000 0.000 0.218 417 A C 2.336 179.853 177.584 -0.111 0.000 1.169 417 A CA 1.473 53.471 52.037 -0.065 0.000 0.635 417 A CB -1.389 17.643 19.000 0.054 0.000 0.810 417 A HN 0.503 nan 8.150 nan 0.000 0.445 418 A N -1.313 121.466 122.820 -0.067 0.000 1.930 418 A HA -0.082 4.238 4.320 0.000 0.000 0.215 418 A C 2.240 179.765 177.584 -0.099 0.000 1.176 418 A CA 1.394 53.396 52.037 -0.059 0.000 0.632 418 A CB -1.129 17.858 19.000 -0.021 0.000 0.819 418 A HN 0.543 nan 8.150 nan 0.000 0.445 419 C N -1.038 118.180 119.300 -0.137 0.000 2.425 419 C HA -0.064 4.396 4.460 0.000 0.000 0.277 419 C C 2.602 177.457 174.990 -0.226 0.000 1.280 419 C CA 1.250 60.171 59.018 -0.163 0.000 1.744 419 C CB -1.286 26.358 27.740 -0.159 0.000 1.989 419 C HN 0.722 nan 8.230 nan 0.000 0.491 420 L N 1.638 122.648 121.223 -0.354 0.000 2.056 420 L HA 0.108 4.449 4.340 0.000 0.000 0.207 420 L C 2.366 179.130 176.870 -0.177 0.000 1.078 420 L CA 2.566 57.205 54.840 -0.335 0.000 0.749 420 L CB -1.301 40.478 42.059 -0.467 0.000 0.901 420 L HN 0.276 nan 8.230 nan 0.000 0.433 421 G N -0.748 107.969 108.800 -0.138 0.000 2.442 421 G HA2 -0.262 3.698 3.960 0.000 0.000 0.219 421 G HA3 -0.262 3.698 3.960 0.000 0.000 0.219 421 G C 1.550 176.409 174.900 -0.068 0.000 1.141 421 G CA 0.961 46.012 45.100 -0.082 0.000 0.763 421 G HN 0.687 nan 8.290 nan 0.000 0.554 422 A N 1.049 123.824 122.820 -0.075 0.000 1.835 422 A HA 0.030 4.351 4.320 0.000 0.000 0.215 422 A C 2.374 179.922 177.584 -0.060 0.000 1.199 422 A CA 1.350 53.351 52.037 -0.060 0.000 0.615 422 A CB -0.579 18.385 19.000 -0.060 0.000 0.838 422 A HN 0.316 nan 8.150 nan 0.000 0.444 423 I N -0.315 120.209 120.570 -0.076 0.000 2.147 423 I HA -0.307 3.863 4.170 0.000 0.000 0.245 423 I C 2.168 178.254 176.117 -0.051 0.000 1.059 423 I CA 2.131 63.392 61.300 -0.065 0.000 1.320 423 I CB -0.204 37.747 38.000 -0.081 0.000 1.021 423 I HN 0.323 nan 8.210 nan 0.000 0.415 424 K N 1.250 121.617 120.400 -0.056 0.000 2.630 424 K HA 0.089 4.409 4.320 0.000 0.000 0.204 424 K C 0.038 176.619 176.600 -0.032 0.000 1.024 424 K CA 0.253 56.515 56.287 -0.041 0.000 1.157 424 K CB -0.291 32.183 32.500 -0.044 0.000 0.899 424 K HN 0.180 nan 8.250 nan 0.000 0.501 425 L N 1.349 122.554 121.223 -0.031 0.000 2.296 425 L HA 0.295 4.635 4.340 0.000 0.000 0.286 425 L C -1.624 175.234 176.870 -0.020 0.000 1.023 425 L CA -2.360 52.465 54.840 -0.025 0.000 0.812 425 L CB 1.294 43.337 42.059 -0.027 0.000 1.223 425 L HN 0.122 nan 8.230 nan 0.000 0.421 426 P HA -0.232 nan 4.420 nan 0.000 0.241 426 P C -0.628 176.665 177.300 -0.013 0.000 0.811 426 P CA 1.185 64.277 63.100 -0.013 0.000 1.119 426 P CB 0.149 31.843 31.700 -0.010 0.000 0.732 427 K N -4.179 116.214 120.400 -0.011 0.000 9.935 427 K HA -0.045 4.275 4.320 0.000 0.000 1.120 427 K C -0.156 176.439 176.600 -0.009 0.000 0.941 427 K CA 0.049 56.330 56.287 -0.011 0.000 0.774 427 K CB -0.811 31.683 32.500 -0.011 0.000 1.424 427 K HN 0.359 nan 8.250 nan 0.000 0.593 428 N N -1.736 116.959 118.700 -0.008 0.000 1.900 428 N HA -0.177 4.563 4.740 0.000 0.000 0.204 428 N C -0.434 175.072 175.510 -0.006 0.000 1.591 428 N CA 1.874 54.919 53.050 -0.007 0.000 3.865 428 N CB -0.965 37.518 38.487 -0.006 0.000 0.830 428 N HN 0.782 nan 8.380 nan 0.000 0.485 429 T N 2.222 116.773 114.554 -0.006 0.000 2.910 429 T HA 0.372 4.722 4.350 0.000 0.000 0.293 429 T C -1.338 173.359 174.700 -0.005 0.000 1.015 429 T CA -0.996 61.101 62.100 -0.005 0.000 1.094 429 T CB 2.001 70.867 68.868 -0.004 0.000 0.968 429 T HN 0.033 nan 8.240 nan 0.000 0.521 430 P HA -0.163 nan 4.420 nan 0.000 0.216 430 P C 1.229 178.526 177.300 -0.005 0.000 1.150 430 P CA 1.271 64.368 63.100 -0.005 0.000 0.843 430 P CB 0.160 31.858 31.700 -0.004 0.000 0.787 431 E N 0.408 120.606 120.200 -0.005 0.000 2.085 431 E HA -0.189 4.161 4.350 0.000 0.000 0.194 431 E C 1.063 177.660 176.600 -0.006 0.000 0.994 431 E CA 0.907 57.304 56.400 -0.004 0.000 0.801 431 E CB -0.030 29.668 29.700 -0.004 0.000 0.743 431 E HN 0.233 nan 8.360 nan 0.000 0.453 432 E N -0.681 119.515 120.200 -0.006 0.000 3.588 432 E HA 0.082 4.432 4.350 0.000 0.000 0.213 432 E C 0.289 176.883 176.600 -0.009 0.000 1.168 432 E CA -0.240 56.155 56.400 -0.008 0.000 1.254 432 E CB 0.497 30.192 29.700 -0.008 0.000 1.302 432 E HN -0.029 nan 8.360 nan 0.000 0.429 433 R N 0.304 120.799 120.500 -0.009 0.000 2.493 433 R HA 0.112 4.452 4.340 0.000 0.000 0.177 433 R C 0.690 176.983 176.300 -0.011 0.000 0.861 433 R CA 0.774 56.868 56.100 -0.010 0.000 1.083 433 R CB -0.107 30.187 30.300 -0.009 0.000 1.328 433 R HN 0.114 nan 8.270 nan 0.000 0.615 434 D N 0.403 120.797 120.400 -0.009 0.000 2.392 434 D HA -0.026 4.614 4.640 0.000 0.000 0.228 434 D C 1.226 177.520 176.300 -0.010 0.000 1.003 434 D CA 0.660 54.654 54.000 -0.009 0.000 0.917 434 D CB 0.246 41.042 40.800 -0.007 0.000 0.890 434 D HN 0.197 nan 8.370 nan 0.000 0.532 435 R N -0.255 120.238 120.500 -0.010 0.000 2.287 435 R HA 0.158 4.499 4.340 0.000 0.000 0.197 435 R C 2.064 178.356 176.300 -0.014 0.000 0.900 435 R CA -0.196 55.897 56.100 -0.010 0.000 1.052 435 R CB 0.468 30.763 30.300 -0.008 0.000 1.117 435 R HN -0.131 nan 8.270 nan 0.000 0.568 436 R N -0.075 120.416 120.500 -0.015 0.000 2.073 436 R HA -0.107 4.233 4.340 0.000 0.000 0.234 436 R C 1.628 177.915 176.300 -0.022 0.000 1.134 436 R CA 2.091 58.180 56.100 -0.019 0.000 0.952 436 R CB -0.593 29.696 30.300 -0.018 0.000 0.850 436 R HN 0.123 nan 8.270 nan 0.000 0.433 437 T N 0.323 114.865 114.554 -0.020 0.000 2.635 437 T HA -0.227 4.123 4.350 0.000 0.000 0.267 437 T C 2.032 176.717 174.700 -0.026 0.000 1.040 437 T CA 1.743 63.829 62.100 -0.023 0.000 1.156 437 T CB -0.627 68.229 68.868 -0.020 0.000 0.863 437 T HN 0.608 nan 8.240 nan 0.000 0.430 438 C N 1.552 120.840 119.300 -0.021 0.000 2.403 438 C HA 0.096 4.556 4.460 0.000 0.000 0.279 438 C C 2.953 177.929 174.990 -0.023 0.000 1.269 438 C CA 1.117 60.123 59.018 -0.021 0.000 1.774 438 C CB -1.589 26.142 27.740 -0.014 0.000 1.993 438 C HN 0.612 nan 8.230 nan 0.000 0.496 439 A N -0.118 122.688 122.820 -0.023 0.000 1.975 439 A HA 0.120 4.440 4.320 0.000 0.000 0.215 439 A C 2.035 179.599 177.584 -0.033 0.000 1.170 439 A CA 1.271 53.294 52.037 -0.024 0.000 0.656 439 A CB -0.679 18.308 19.000 -0.022 0.000 0.821 439 A HN 0.619 nan 8.150 nan 0.000 0.449 440 L N -0.363 120.838 121.223 -0.037 0.000 2.046 440 L HA -0.150 4.190 4.340 0.000 0.000 0.208 440 L C 2.291 179.130 176.870 -0.051 0.000 1.077 440 L CA 2.512 57.325 54.840 -0.045 0.000 0.747 440 L CB -0.992 41.041 42.059 -0.043 0.000 0.896 440 L HN 0.398 nan 8.230 nan 0.000 0.432 441 Q N -0.116 119.652 119.800 -0.053 0.000 2.030 441 Q HA -0.221 4.119 4.340 0.000 0.000 0.204 441 Q C 2.289 178.243 176.000 -0.077 0.000 0.986 441 Q CA 1.906 57.666 55.803 -0.072 0.000 0.843 441 Q CB -0.395 28.303 28.738 -0.068 0.000 0.904 441 Q HN 0.500 nan 8.270 nan 0.000 0.420 442 E N -0.690 119.478 120.200 -0.053 0.000 2.265 442 E HA -0.126 4.224 4.350 0.000 0.000 0.196 442 E C 1.521 178.101 176.600 -0.033 0.000 0.996 442 E CA 0.909 57.286 56.400 -0.037 0.000 0.832 442 E CB -0.282 29.407 29.700 -0.019 0.000 0.756 442 E HN 0.472 nan 8.360 nan 0.000 0.491 443 G N 1.662 110.438 108.800 -0.039 0.000 2.705 443 G HA2 -0.250 3.710 3.960 0.000 0.000 0.214 443 G HA3 -0.250 3.710 3.960 0.000 0.000 0.214 443 G C 1.648 176.528 174.900 -0.034 0.000 1.321 443 G CA 1.122 46.199 45.100 -0.037 0.000 0.826 443 G HN 0.271 nan 8.290 nan 0.000 0.595 444 L N -0.092 121.103 121.223 -0.046 0.000 2.082 444 L HA -0.297 4.043 4.340 0.000 0.000 0.223 444 L C 2.997 179.833 176.870 -0.057 0.000 1.086 444 L CA 1.915 56.726 54.840 -0.047 0.000 0.793 444 L CB -0.769 41.248 42.059 -0.070 0.000 0.896 444 L HN 0.218 nan 8.230 nan 0.000 0.441 445 R N 0.043 120.487 120.500 -0.094 0.000 2.191 445 R HA -0.300 4.040 4.340 0.000 0.000 0.248 445 R C 2.391 178.698 176.300 0.012 0.000 1.127 445 R CA 2.667 58.716 56.100 -0.084 0.000 0.943 445 R CB -0.554 29.713 30.300 -0.055 0.000 0.891 445 R HN 0.586 nan 8.270 nan 0.000 0.439 446 Q N -0.793 119.018 119.800 0.020 0.000 2.020 446 Q HA -0.124 4.216 4.340 0.000 0.000 0.202 446 Q C 2.229 178.258 176.000 0.049 0.000 0.982 446 Q CA 1.535 57.363 55.803 0.041 0.000 0.838 446 Q CB -0.251 28.507 28.738 0.034 0.000 0.899 446 Q HN 0.429 nan 8.270 nan 0.000 0.423 447 A N 0.567 123.412 122.820 0.041 0.000 1.927 447 A HA -0.224 4.096 4.320 0.000 0.000 0.220 447 A C 2.366 179.986 177.584 0.059 0.000 1.185 447 A CA 1.893 53.966 52.037 0.061 0.000 0.639 447 A CB -0.980 18.055 19.000 0.058 0.000 0.820 447 A HN 0.238 nan 8.150 nan 0.000 0.451 448 V N -0.503 119.438 119.914 0.045 0.000 2.270 448 V HA -0.201 3.919 4.120 0.000 0.000 0.245 448 V C 3.065 179.209 176.094 0.084 0.000 1.043 448 V CA 1.927 64.263 62.300 0.060 0.000 1.014 448 V CB -1.230 30.628 31.823 0.058 0.000 0.645 448 V HN 0.647 nan 8.190 nan 0.000 0.447 449 A N -0.206 122.674 122.820 0.099 0.000 2.032 449 A HA -0.209 4.111 4.320 0.000 0.000 0.221 449 A C 2.439 180.063 177.584 0.067 0.000 1.165 449 A CA 2.304 54.400 52.037 0.100 0.000 0.645 449 A CB -0.757 18.305 19.000 0.104 0.000 0.807 449 A HN 0.515 nan 8.150 nan 0.000 0.453 450 V N -0.289 119.661 119.914 0.060 0.000 2.255 450 V HA -0.060 4.060 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 2.052 64.381 62.300 0.049 0.000 1.008 450 V CB -1.357 30.496 31.823 0.049 0.000 0.645 450 V HN 0.388 nan 8.190 nan 0.000 0.449 451 P HA -0.183 nan 4.420 nan 0.000 0.216 451 P C 2.229 179.554 177.300 0.041 0.000 1.157 451 P CA 1.964 65.095 63.100 0.051 0.000 0.880 451 P CB -0.318 31.416 31.700 0.058 0.000 0.791 452 L N -0.245 121.004 121.223 0.044 0.000 1.997 452 L HA -0.245 4.095 4.340 0.000 0.000 0.216 452 L C 2.096 178.981 176.870 0.025 0.000 1.074 452 L CA 2.286 57.149 54.840 0.039 0.000 0.763 452 L CB -1.266 40.827 42.059 0.058 0.000 0.890 452 L HN -0.032 nan 8.230 nan 0.000 0.434 453 K N 0.041 120.456 120.400 0.024 0.000 2.001 453 K HA -0.229 4.091 4.320 0.000 0.000 0.214 453 K C 2.175 178.775 176.600 -0.000 0.000 1.050 453 K CA 1.787 58.080 56.287 0.009 0.000 0.934 453 K CB -1.120 31.386 32.500 0.010 0.000 0.718 453 K HN 0.387 nan 8.250 nan 0.000 0.443 454 L N 0.805 122.032 121.223 0.007 0.000 2.103 454 L HA -0.239 4.101 4.340 0.000 0.000 0.215 454 L C 2.026 178.891 176.870 -0.008 0.000 1.080 454 L CA 2.548 57.388 54.840 0.001 0.000 0.764 454 L CB -1.094 40.977 42.059 0.019 0.000 0.890 454 L HN 0.195 nan 8.230 nan 0.000 0.435 455 A N -0.749 122.074 122.820 0.004 0.000 1.823 455 A HA -0.121 4.199 4.320 0.000 0.000 0.214 455 A C 1.994 179.571 177.584 -0.012 0.000 1.225 455 A CA 1.261 53.299 52.037 0.003 0.000 0.604 455 A CB -0.839 18.172 19.000 0.017 0.000 0.878 455 A HN 0.523 nan 8.150 nan 0.000 0.450 456 E N -0.578 119.619 120.200 -0.005 0.000 2.196 456 E HA -0.325 4.025 4.350 0.000 0.000 0.222 456 E C 2.144 178.721 176.600 -0.039 0.000 1.072 456 E CA 2.256 58.648 56.400 -0.013 0.000 0.902 456 E CB -1.163 28.530 29.700 -0.011 0.000 0.780 456 E HN 0.700 nan 8.360 nan 0.000 0.467 457 T N 0.307 114.831 114.554 -0.050 0.000 2.708 457 T HA -0.109 4.241 4.350 0.000 0.000 0.266 457 T C 2.026 176.646 174.700 -0.132 0.000 1.037 457 T CA 1.670 63.722 62.100 -0.079 0.000 1.146 457 T CB -0.314 68.514 68.868 -0.066 0.000 0.865 457 T HN 0.071 nan 8.240 nan 0.000 0.435 458 V N 1.211 121.036 119.914 -0.148 0.000 2.515 458 V HA -0.029 4.091 4.120 0.000 0.000 0.250 458 V C 2.686 178.521 176.094 -0.431 0.000 1.058 458 V CA 2.391 64.529 62.300 -0.270 0.000 1.064 458 V CB -0.802 30.886 31.823 -0.227 0.000 0.675 458 V HN 0.701 nan 8.190 nan 0.000 0.461 459 S N -1.120 114.452 115.700 -0.213 0.000 2.469 459 S HA -0.228 4.242 4.470 0.000 0.000 0.238 459 S C 1.869 176.455 174.600 -0.024 0.000 0.998 459 S CA 1.833 60.006 58.200 -0.045 0.000 0.957 459 S CB -0.247 63.009 63.200 0.093 0.000 0.764 459 S HN 0.787 nan 8.310 nan 0.000 0.514 460 Q N -0.512 119.215 119.800 -0.121 0.000 2.269 460 Q HA 0.143 4.483 4.340 0.000 0.000 0.201 460 Q C 1.468 177.371 176.000 -0.162 0.000 0.946 460 Q CA 0.651 56.394 55.803 -0.100 0.000 0.877 460 Q CB 0.026 28.696 28.738 -0.115 0.000 0.963 460 Q HN 0.414 nan 8.270 nan 0.000 0.472 461 L N -1.259 119.781 121.223 -0.306 0.000 2.291 461 L HA -0.086 4.254 4.340 0.000 0.000 0.214 461 L C 1.399 178.167 176.870 -0.169 0.000 1.120 461 L CA 1.255 55.848 54.840 -0.412 0.000 0.799 461 L CB -1.043 40.730 42.059 -0.476 0.000 0.925 461 L HN 0.333 nan 8.230 nan 0.000 0.446 462 W N 1.381 122.668 121.300 -0.022 0.000 2.289 462 W HA -0.283 4.377 4.660 0.000 0.000 0.331 462 W C 0.073 176.606 176.519 0.023 0.000 1.283 462 W CA 1.345 58.703 57.345 0.021 0.000 1.252 462 W CB -1.783 27.677 29.460 -0.000 0.000 1.153 462 W HN 0.159 nan 8.180 nan 0.000 0.467 463 P HA -0.159 nan 4.420 nan 0.000 0.217 463 P C 1.191 178.562 177.300 0.117 0.000 1.150 463 P CA 2.777 65.961 63.100 0.140 0.000 0.832 463 P CB -0.417 31.328 31.700 0.075 0.000 0.787 464 A N -0.107 122.752 122.820 0.064 0.000 1.930 464 A HA -0.140 4.181 4.320 0.000 0.000 0.217 464 A C 2.251 180.002 177.584 0.278 0.000 1.175 464 A CA 1.308 53.392 52.037 0.077 0.000 0.627 464 A CB -1.648 17.285 19.000 -0.111 0.000 0.815 464 A HN 0.167 nan 8.150 nan 0.000 0.443 465 L N -0.339 121.131 121.223 0.412 0.000 2.042 465 L HA -0.217 4.123 4.340 0.000 0.000 0.210 465 L C 2.496 179.529 176.870 0.272 0.000 1.076 465 L CA 2.710 57.846 54.840 0.493 0.000 0.749 465 L CB -0.625 41.739 42.059 0.509 0.000 0.893 465 L HN 0.508 nan 8.230 nan 0.000 0.432 466 Q N -0.137 119.808 119.800 0.241 0.000 2.084 466 Q HA -0.281 4.059 4.340 0.000 0.000 0.202 466 Q C 2.241 178.304 176.000 0.105 0.000 0.978 466 Q CA 2.286 58.181 55.803 0.154 0.000 0.844 466 Q CB -0.261 28.553 28.738 0.127 0.000 0.898 466 Q HN 0.708 nan 8.270 nan 0.000 0.426 467 E N -0.955 119.308 120.200 0.105 0.000 2.158 467 E HA -0.146 4.204 4.350 0.000 0.000 0.191 467 E C 1.748 178.388 176.600 0.067 0.000 0.982 467 E CA 0.706 57.149 56.400 0.073 0.000 0.823 467 E CB -0.105 29.633 29.700 0.063 0.000 0.766 467 E HN 0.400 nan 8.360 nan 0.000 0.468 468 L N 0.663 121.943 121.223 0.095 0.000 2.201 468 L HA 0.048 4.388 4.340 0.000 0.000 0.212 468 L C 2.096 178.979 176.870 0.021 0.000 1.105 468 L CA 1.855 56.729 54.840 0.056 0.000 0.775 468 L CB -0.418 41.685 42.059 0.072 0.000 0.913 468 L HN 0.178 nan 8.230 nan 0.000 0.440 469 A N -1.521 121.326 122.820 0.044 0.000 2.067 469 A HA -0.083 4.237 4.320 0.000 0.000 0.217 469 A C 2.056 179.653 177.584 0.022 0.000 1.156 469 A CA 0.739 52.794 52.037 0.030 0.000 0.683 469 A CB -0.286 18.746 19.000 0.053 0.000 0.808 469 A HN 0.519 nan 8.150 nan 0.000 0.455 470 Q N 0.295 120.111 119.800 0.027 0.000 1.916 470 Q HA -0.109 4.231 4.340 0.000 0.000 0.203 470 Q C 2.189 178.199 176.000 0.017 0.000 0.983 470 Q CA 1.690 57.507 55.803 0.023 0.000 0.846 470 Q CB -1.125 27.629 28.738 0.027 0.000 0.909 470 Q HN 0.850 nan 8.270 nan 0.000 0.427 471 C N -1.474 117.834 119.300 0.013 0.000 1.426 471 C HA 0.778 5.238 4.460 0.000 0.000 0.156 471 C C 1.039 176.004 174.990 -0.040 0.000 2.993 471 C CA 0.079 59.099 59.018 0.003 0.000 1.872 471 C CB -0.546 27.205 27.740 0.019 0.000 2.433 471 C HN 0.800 nan 8.230 nan 0.000 0.258 472 G N 2.348 111.085 108.800 -0.105 0.000 3.316 472 G HA2 -0.050 3.910 3.960 0.000 0.000 0.445 472 G HA3 -0.050 3.910 3.960 0.000 0.000 0.445 472 G C 0.099 174.885 174.900 -0.190 0.000 1.002 472 G CA 0.471 45.472 45.100 -0.164 0.000 0.818 472 G HN 1.329 nan 8.290 nan 0.000 0.404 473 N N 0.605 119.086 118.700 -0.365 0.000 1.070 473 N HA -0.323 4.417 4.740 0.000 0.000 0.148 473 N C 1.541 177.015 175.510 -0.061 0.000 0.330 473 N CA 2.889 55.764 53.050 -0.290 0.000 1.001 473 N CB -0.486 37.921 38.487 -0.133 0.000 1.588 473 N HN 1.678 nan 8.380 nan 0.000 0.450 474 L N -3.267 117.952 121.223 -0.006 0.000 1.455 474 L HA -0.114 4.226 4.340 0.000 0.000 0.477 474 L C 1.155 178.046 176.870 0.035 0.000 0.852 474 L CA 0.847 55.702 54.840 0.025 0.000 2.245 474 L CB -1.444 40.650 42.059 0.058 0.000 1.468 474 L HN 0.327 nan 8.230 nan 0.000 0.523 475 S N -0.796 114.936 115.700 0.054 0.000 2.561 475 S HA 0.022 4.492 4.470 0.000 0.000 0.225 475 S C 1.086 175.704 174.600 0.030 0.000 0.977 475 S CA 0.847 59.076 58.200 0.049 0.000 0.926 475 S CB -0.430 62.811 63.200 0.070 0.000 0.769 475 S HN 0.622 nan 8.310 nan 0.000 0.533 476 C N 1.289 120.597 119.300 0.014 0.000 2.688 476 C HA 0.376 4.836 4.460 0.000 0.000 0.297 476 C C 1.893 176.879 174.990 -0.007 0.000 1.308 476 C CA -0.712 58.306 59.018 -0.001 0.000 1.726 476 C CB -1.821 25.908 27.740 -0.018 0.000 1.982 476 C HN 0.524 nan 8.230 nan 0.000 0.604 477 L N 2.544 123.768 121.223 0.002 0.000 1.976 477 L HA -0.250 4.090 4.340 0.000 0.000 0.223 477 L C 2.888 179.759 176.870 0.002 0.000 1.081 477 L CA 2.815 57.656 54.840 0.002 0.000 0.784 477 L CB -0.726 41.340 42.059 0.010 0.000 0.896 477 L HN 0.521 nan 8.230 nan 0.000 0.438 478 S N -0.850 114.854 115.700 0.005 0.000 2.401 478 S HA -0.362 4.108 4.470 0.000 0.000 0.236 478 S C 1.830 176.430 174.600 0.000 0.000 1.058 478 S CA 1.970 60.173 58.200 0.006 0.000 1.151 478 S CB -1.249 61.955 63.200 0.007 0.000 1.049 478 S HN 0.600 nan 8.310 nan 0.000 0.432 479 D N 1.245 121.641 120.400 -0.007 0.000 2.158 479 D HA -0.056 4.584 4.640 0.000 0.000 0.197 479 D C 2.070 178.353 176.300 -0.029 0.000 0.995 479 D CA 0.996 54.985 54.000 -0.018 0.000 0.846 479 D CB -0.325 40.460 40.800 -0.024 0.000 0.941 479 D HN 0.289 nan 8.370 nan 0.000 0.456 480 L N 1.133 122.338 121.223 -0.029 0.000 2.072 480 L HA -0.128 4.212 4.340 0.000 0.000 0.205 480 L C 2.467 179.337 176.870 0.001 0.000 1.079 480 L CA 1.362 56.182 54.840 -0.032 0.000 0.752 480 L CB -0.895 41.146 42.059 -0.030 0.000 0.906 480 L HN 0.117 nan 8.230 nan 0.000 0.436 481 Q N -0.847 118.960 119.800 0.012 0.000 2.030 481 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 481 Q C 2.163 178.185 176.000 0.036 0.000 0.986 481 Q CA 1.697 57.517 55.803 0.029 0.000 0.843 481 Q CB -0.550 28.202 28.738 0.022 0.000 0.904 481 Q HN 0.323 nan 8.270 nan 0.000 0.420 482 V N 1.649 121.577 119.914 0.023 0.000 2.282 482 V HA -0.338 3.782 4.120 0.000 0.000 0.249 482 V C 2.456 178.569 176.094 0.032 0.000 1.057 482 V CA 1.967 64.282 62.300 0.026 0.000 1.032 482 V CB -1.267 30.564 31.823 0.014 0.000 0.645 482 V HN 0.451 nan 8.190 nan 0.000 0.447 483 A N 0.097 122.923 122.820 0.011 0.000 1.865 483 A HA -0.194 4.126 4.320 0.000 0.000 0.217 483 A C 2.472 180.087 177.584 0.052 0.000 1.191 483 A CA 2.587 54.622 52.037 -0.005 0.000 0.623 483 A CB -1.031 17.928 19.000 -0.069 0.000 0.826 483 A HN 0.620 nan 8.150 nan 0.000 0.444 484 A N -0.723 122.155 122.820 0.096 0.000 1.865 484 A HA -0.199 4.121 4.320 0.000 0.000 0.217 484 A C 2.135 179.856 177.584 0.229 0.000 1.191 484 A CA 2.062 54.227 52.037 0.214 0.000 0.623 484 A CB -0.461 18.652 19.000 0.188 0.000 0.826 484 A HN 0.332 nan 8.150 nan 0.000 0.444 485 K N -0.278 120.210 120.400 0.146 0.000 2.147 485 K HA -0.050 4.270 4.320 0.000 0.000 0.205 485 K C 2.203 178.889 176.600 0.142 0.000 1.049 485 K CA 1.345 57.715 56.287 0.137 0.000 0.936 485 K CB -0.690 31.861 32.500 0.084 0.000 0.722 485 K HN 0.478 nan 8.250 nan 0.000 0.446 486 A N 0.638 123.522 122.820 0.107 0.000 1.897 486 A HA -0.090 4.230 4.320 0.000 0.000 0.215 486 A C 2.234 179.878 177.584 0.101 0.000 1.181 486 A CA 0.994 53.084 52.037 0.088 0.000 0.620 486 A CB -0.461 18.569 19.000 0.051 0.000 0.821 486 A HN 0.178 nan 8.150 nan 0.000 0.443 487 L N -0.185 121.087 121.223 0.082 0.000 2.131 487 L HA -0.175 4.166 4.340 0.000 0.000 0.210 487 L C 2.454 179.425 176.870 0.169 0.000 1.092 487 L CA 1.910 56.762 54.840 0.020 0.000 0.759 487 L CB -0.429 41.505 42.059 -0.207 0.000 0.903 487 L HN 0.593 nan 8.230 nan 0.000 0.435 488 E N -0.362 120.035 120.200 0.328 0.000 2.028 488 E HA -0.263 4.087 4.350 0.000 0.000 0.191 488 E C 2.201 179.052 176.600 0.418 0.000 0.988 488 E CA 1.811 58.467 56.400 0.426 0.000 0.799 488 E CB -0.035 29.901 29.700 0.393 0.000 0.755 488 E HN 0.498 nan 8.360 nan 0.000 0.447 489 T N -1.750 113.007 114.554 0.339 0.000 2.995 489 T HA 0.015 4.365 4.350 0.000 0.000 0.269 489 T C 1.853 176.734 174.700 0.302 0.000 1.091 489 T CA 1.195 63.508 62.100 0.355 0.000 1.128 489 T CB -0.424 68.553 68.868 0.181 0.000 0.891 489 T HN 0.251 nan 8.240 nan 0.000 0.492 490 G N 1.580 110.503 108.800 0.205 0.000 2.514 490 G HA2 -0.207 3.753 3.960 0.000 0.000 0.217 490 G HA3 -0.207 3.753 3.960 0.000 0.000 0.217 490 G C 1.649 176.630 174.900 0.135 0.000 1.198 490 G CA 1.477 46.662 45.100 0.141 0.000 0.780 490 G HN 0.528 nan 8.290 nan 0.000 0.565 491 V N 0.161 120.147 119.914 0.119 0.000 2.490 491 V HA -0.122 3.998 4.120 0.000 0.000 0.250 491 V C 2.450 178.516 176.094 -0.045 0.000 1.061 491 V CA 1.598 63.920 62.300 0.038 0.000 1.064 491 V CB -0.766 31.077 31.823 0.033 0.000 0.670 491 V HN 0.287 nan 8.190 nan 0.000 0.461 492 F N 1.702 121.625 119.950 -0.044 0.000 2.046 492 F HA -0.084 4.443 4.527 0.000 0.000 0.297 492 F C 2.577 178.192 175.800 -0.308 0.000 1.123 492 F CA 2.082 59.933 58.000 -0.249 0.000 1.199 492 F CB -1.179 37.792 39.000 -0.048 0.000 0.972 492 F HN 0.200 nan 8.300 nan 0.000 0.474 493 G N -0.433 108.555 108.800 0.312 0.000 2.529 493 G HA2 -0.344 3.616 3.960 0.000 0.000 0.219 493 G HA3 -0.344 3.616 3.960 0.000 0.000 0.219 493 G C 1.849 176.882 174.900 0.222 0.000 1.177 493 G CA 1.278 46.613 45.100 0.390 0.000 0.773 493 G HN 0.527 nan 8.290 nan 0.000 0.573 494 A N 0.205 123.096 122.820 0.119 0.000 1.859 494 A HA -0.168 4.152 4.320 0.000 0.000 0.217 494 A C 2.181 179.792 177.584 0.044 0.000 1.198 494 A CA 2.057 54.138 52.037 0.074 0.000 0.629 494 A CB -1.040 17.989 19.000 0.049 0.000 0.830 494 A HN 0.601 nan 8.150 nan 0.000 0.446 495 Y N -0.296 119.896 120.300 -0.180 0.000 2.002 495 Y HA -0.365 4.186 4.550 0.000 0.000 0.268 495 Y C 2.133 177.956 175.900 -0.127 0.000 1.177 495 Y CA 2.575 60.526 58.100 -0.247 0.000 1.111 495 Y CB -0.727 37.438 38.460 -0.492 0.000 0.952 495 Y HN 0.317 nan 8.280 nan 0.000 0.491 496 F N 0.262 120.287 119.950 0.125 0.000 2.065 496 F HA -0.304 4.223 4.527 0.000 0.000 0.298 496 F C 2.226 177.987 175.800 -0.066 0.000 1.112 496 F CA 1.848 59.850 58.000 0.003 0.000 1.212 496 F CB -0.894 38.190 39.000 0.140 0.000 0.975 496 F HN 0.123 nan 8.300 nan 0.000 0.476 497 N N 0.097 118.916 118.700 0.199 0.000 2.223 497 N HA -0.133 4.608 4.740 0.000 0.000 0.185 497 N C 1.684 177.222 175.510 0.045 0.000 1.016 497 N CA 1.146 54.268 53.050 0.121 0.000 0.863 497 N CB -0.191 38.371 38.487 0.126 0.000 0.983 497 N HN 0.021 nan 8.380 nan 0.000 0.429 498 V N 0.606 120.516 119.914 -0.007 0.000 2.223 498 V HA -0.215 3.905 4.120 0.000 0.000 0.244 498 V C 2.099 178.157 176.094 -0.059 0.000 1.045 498 V CA 1.332 63.614 62.300 -0.029 0.000 1.000 498 V CB -0.886 30.908 31.823 -0.049 0.000 0.635 498 V HN 0.166 nan 8.190 nan 0.000 0.445 499 L N -0.191 120.938 121.223 -0.157 0.000 1.980 499 L HA -0.292 4.048 4.340 0.000 0.000 0.232 499 L C 2.405 179.250 176.870 -0.041 0.000 1.092 499 L CA 2.575 57.335 54.840 -0.132 0.000 0.808 499 L CB -0.787 41.138 42.059 -0.223 0.000 0.908 499 L HN 0.288 nan 8.230 nan 0.000 0.442 500 I N -0.764 119.802 120.570 -0.006 0.000 2.290 500 I HA -0.425 3.745 4.170 0.000 0.000 0.253 500 I C 1.978 178.102 176.117 0.012 0.000 1.112 500 I CA 1.966 63.276 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 0.238 118.943 118.700 0.008 0.000 2.173 501 N HA -0.095 4.645 4.740 0.000 0.000 0.184 501 N C 1.624 177.120 175.510 -0.024 0.000 1.025 501 N CA 0.853 53.903 53.050 -0.000 0.000 0.852 501 N CB -0.161 38.330 38.487 0.006 0.000 0.998 501 N HN 0.143 nan 8.380 nan 0.000 0.427 502 L N 1.634 122.840 121.223 -0.027 0.000 2.357 502 L HA -0.189 4.151 4.340 0.000 0.000 0.220 502 L C 1.947 178.801 176.870 -0.028 0.000 1.123 502 L CA 1.324 56.142 54.840 -0.036 0.000 0.782 502 L CB -0.288 41.765 42.059 -0.009 0.000 0.910 502 L HN 0.157 nan 8.230 nan 0.000 0.442 503 K N -0.137 120.253 120.400 -0.017 0.000 2.032 503 K HA -0.119 4.201 4.320 0.000 0.000 0.209 503 K C 0.402 176.992 176.600 -0.017 0.000 1.048 503 K CA 1.369 57.650 56.287 -0.009 0.000 0.927 503 K CB -0.345 32.155 32.500 -0.000 0.000 0.712 503 K HN 0.439 nan 8.250 nan 0.000 0.441 507 D N 1.217 121.607 120.400 -0.016 0.000 2.648 507 D HA -0.024 4.616 4.640 0.000 0.000 0.097 507 D C 0.096 176.431 176.300 0.058 0.000 0.901 507 D CA 0.120 54.131 54.000 0.017 0.000 0.973 507 D CB -0.983 39.813 40.800 -0.006 0.000 0.689 507 D HN 0.525 nan 8.370 nan 0.000 0.461 508 D N 0.012 120.441 120.400 0.048 0.000 2.144 508 D HA -0.099 4.541 4.640 0.000 0.000 0.199 508 D C 2.290 178.641 176.300 0.085 0.000 0.984 508 D CA 1.487 55.521 54.000 0.056 0.000 0.834 508 D CB 0.106 40.928 40.800 0.036 0.000 0.955 508 D HN 0.389 nan 8.370 nan 0.000 0.465 509 V N 1.209 121.176 119.914 0.087 0.000 2.215 509 V HA -0.315 3.805 4.120 0.000 0.000 0.246 509 V C 2.152 178.333 176.094 0.144 0.000 1.047 509 V CA 1.936 64.288 62.300 0.087 0.000 0.999 509 V CB -1.128 30.738 31.823 0.071 0.000 0.635 509 V HN 0.140 nan 8.190 nan 0.000 0.450 510 F N 0.954 120.908 119.950 0.006 0.000 2.063 510 F HA -0.341 4.186 4.527 0.000 0.000 0.297 510 F C 2.518 178.326 175.800 0.012 0.000 1.099 510 F CA 2.396 60.401 58.000 0.009 0.000 1.220 510 F CB -0.154 38.850 39.000 0.007 0.000 0.972 510 F HN 0.070 nan 8.300 nan 0.000 0.487 511 K N 0.188 120.828 120.400 0.399 0.000 1.980 511 K HA -0.328 3.992 4.320 0.000 0.000 0.229 511 K C 1.971 178.674 176.600 0.173 0.000 1.026 511 K CA 1.833 58.259 56.287 0.231 0.000 1.055 511 K CB -0.941 31.619 32.500 0.100 0.000 0.741 511 K HN 0.368 nan 8.250 nan 0.000 0.448 512 E N 1.366 121.633 120.200 0.112 0.000 2.217 512 E HA -0.364 3.987 4.350 0.000 0.000 0.219 512 E C 2.082 178.736 176.600 0.090 0.000 1.070 512 E CA 2.084 58.534 56.400 0.083 0.000 0.889 512 E CB -0.099 29.630 29.700 0.049 0.000 0.768 512 E HN 0.263 nan 8.360 nan 0.000 0.465 513 K N -0.584 119.862 120.400 0.076 0.000 2.002 513 K HA -0.137 4.183 4.320 0.000 0.000 0.209 513 K C 2.206 178.855 176.600 0.082 0.000 1.048 513 K CA 2.072 58.389 56.287 0.049 0.000 0.930 513 K CB -0.237 32.250 32.500 -0.022 0.000 0.714 513 K HN 0.138 nan 8.250 nan 0.000 0.438 514 T N 0.819 115.427 114.554 0.091 0.000 2.746 514 T HA -0.161 4.189 4.350 0.000 0.000 0.267 514 T C 1.822 176.588 174.700 0.109 0.000 1.039 514 T CA 1.639 63.802 62.100 0.106 0.000 1.142 514 T CB -0.278 68.732 68.868 0.237 0.000 0.866 514 T HN 0.360 nan 8.240 nan 0.000 0.444 515 R N 0.339 120.911 120.500 0.120 0.000 2.113 515 R HA -0.221 4.119 4.340 0.000 0.000 0.244 515 R C 2.422 178.798 176.300 0.127 0.000 1.142 515 R CA 1.968 58.126 56.100 0.097 0.000 0.953 515 R CB -0.478 29.882 30.300 0.100 0.000 0.860 515 R HN 0.570 nan 8.270 nan 0.000 0.438 516 H N -0.423 118.676 119.070 0.048 0.000 2.343 516 H HA -0.050 4.506 4.556 0.000 0.000 0.303 516 H C 2.051 177.401 175.328 0.037 0.000 1.068 516 H CA 1.598 57.672 56.048 0.043 0.000 1.359 516 H CB 0.095 29.873 29.762 0.027 0.000 1.402 516 H HN 0.090 nan 8.280 nan 0.000 0.515 517 R N 1.069 121.618 120.500 0.082 0.000 2.096 517 R HA -0.138 4.202 4.340 0.000 0.000 0.240 517 R C 2.385 178.672 176.300 -0.022 0.000 1.139 517 R CA 1.581 57.688 56.100 0.011 0.000 0.952 517 R CB -1.209 29.114 30.300 0.038 0.000 0.854 517 R HN 0.383 nan 8.270 nan 0.000 0.436 518 I N 0.605 121.190 120.570 0.025 0.000 2.163 518 I HA -0.256 3.914 4.170 0.000 0.000 0.243 518 I C 1.892 178.062 176.117 0.089 0.000 1.085 518 I CA 2.060 63.396 61.300 0.060 0.000 1.347 518 I CB -0.583 37.452 38.000 0.059 0.000 1.044 518 I HN 0.400 nan 8.210 nan 0.000 0.408 519 S N 0.005 115.754 115.700 0.082 0.000 2.355 519 S HA -0.190 4.280 4.470 0.000 0.000 0.222 519 S C 2.161 176.662 174.600 -0.165 0.000 1.031 519 S CA 1.273 59.488 58.200 0.026 0.000 0.993 519 S CB -1.413 61.827 63.200 0.068 0.000 0.859 519 S HN 0.626 nan 8.310 nan 0.000 0.453 520 S N 3.595 119.166 115.700 -0.216 0.000 2.368 520 S HA -0.156 4.314 4.470 0.000 0.000 0.226 520 S C 1.893 176.406 174.600 -0.146 0.000 1.044 520 S CA 1.597 59.671 58.200 -0.209 0.000 1.062 520 S CB -1.215 61.841 63.200 -0.241 0.000 0.931 520 S HN 0.466 nan 8.310 nan 0.000 0.440 521 L N 0.653 121.816 121.223 -0.100 0.000 2.042 521 L HA -0.085 4.255 4.340 0.000 0.000 0.210 521 L C 2.692 179.502 176.870 -0.100 0.000 1.076 521 L CA 1.347 56.157 54.840 -0.050 0.000 0.749 521 L CB -0.703 41.351 42.059 -0.009 0.000 0.893 521 L HN 0.292 nan 8.230 nan 0.000 0.432 522 L N -0.240 120.859 121.223 -0.207 0.000 2.017 522 L HA -0.251 4.089 4.340 0.000 0.000 0.208 522 L C 2.644 179.270 176.870 -0.407 0.000 1.073 522 L CA 1.850 56.430 54.840 -0.434 0.000 0.745 522 L CB -0.523 41.076 42.059 -0.765 0.000 0.894 522 L HN 0.263 nan 8.230 nan 0.000 0.432 523 Q N 0.241 119.848 119.800 -0.322 0.000 2.045 523 Q HA -0.313 4.027 4.340 0.000 0.000 0.206 523 Q C 2.226 178.091 176.000 -0.224 0.000 0.991 523 Q CA 2.532 58.185 55.803 -0.250 0.000 0.851 523 Q CB -0.592 28.029 28.738 -0.194 0.000 0.911 523 Q HN 0.678 nan 8.270 nan 0.000 0.418 524 E N -0.814 119.269 120.200 -0.195 0.000 2.085 524 E HA -0.258 4.092 4.350 0.000 0.000 0.194 524 E C 1.791 178.171 176.600 -0.368 0.000 0.994 524 E CA 1.215 57.482 56.400 -0.222 0.000 0.801 524 E CB -0.341 29.286 29.700 -0.122 0.000 0.743 524 E HN 0.480 nan 8.360 nan 0.000 0.453 525 A N 1.445 124.134 122.820 -0.217 0.000 1.865 525 A HA -0.258 4.062 4.320 0.000 0.000 0.217 525 A C 2.080 179.485 177.584 -0.298 0.000 1.191 525 A CA 2.046 53.990 52.037 -0.156 0.000 0.623 525 A CB -0.510 18.549 19.000 0.098 0.000 0.826 525 A HN 0.204 nan 8.150 nan 0.000 0.444 526 K N -0.766 119.496 120.400 -0.230 0.000 2.020 526 K HA -0.174 4.146 4.320 0.000 0.000 0.212 526 K C 2.299 178.796 176.600 -0.173 0.000 1.050 526 K CA 2.186 58.392 56.287 -0.134 0.000 0.929 526 K CB -0.587 31.842 32.500 -0.119 0.000 0.714 526 K HN 0.763 nan 8.250 nan 0.000 0.443 527 T N -0.704 113.714 114.554 -0.227 0.000 2.770 527 T HA -0.164 4.186 4.350 0.000 0.000 0.263 527 T C 2.039 176.556 174.700 -0.304 0.000 1.039 527 T CA 0.957 62.928 62.100 -0.214 0.000 1.142 527 T CB -0.302 68.456 68.868 -0.184 0.000 0.868 527 T HN 0.044 nan 8.240 nan 0.000 0.435 528 Q N 1.932 121.423 119.800 -0.515 0.000 2.002 528 Q HA 0.041 4.381 4.340 0.000 0.000 0.204 528 Q C 2.604 178.231 176.000 -0.621 0.000 0.988 528 Q CA 2.152 57.534 55.803 -0.701 0.000 0.843 528 Q CB -1.182 26.726 28.738 -1.384 0.000 0.908 528 Q HN 0.642 nan 8.270 nan 0.000 0.420 529 A N 0.281 122.650 122.820 -0.752 0.000 1.971 529 A HA -0.252 4.068 4.320 0.000 0.000 0.222 529 A C 2.180 179.696 177.584 -0.113 0.000 1.182 529 A CA 2.308 54.167 52.037 -0.295 0.000 0.649 529 A CB -1.318 17.633 19.000 -0.081 0.000 0.818 529 A HN 0.529 nan 8.150 nan 0.000 0.458 530 A N 0.543 123.281 122.820 -0.138 0.000 1.829 530 A HA -0.098 4.222 4.320 0.000 0.000 0.216 530 A C 2.163 179.713 177.584 -0.056 0.000 1.207 530 A CA 1.795 53.788 52.037 -0.073 0.000 0.622 530 A CB -1.130 17.823 19.000 -0.079 0.000 0.846 530 A HN 0.890 nan 8.150 nan 0.000 0.447 531 L N -0.651 120.527 121.223 -0.076 0.000 2.051 531 L HA -0.203 4.137 4.340 0.000 0.000 0.214 531 L C 2.306 179.166 176.870 -0.016 0.000 1.076 531 L CA 1.760 56.573 54.840 -0.045 0.000 0.758 531 L CB -1.764 40.264 42.059 -0.053 0.000 0.890 531 L HN 0.196 nan 8.230 nan 0.000 0.433 532 V N 1.020 120.930 119.914 -0.008 0.000 2.218 532 V HA -0.368 3.752 4.120 0.000 0.000 0.251 532 V C 2.739 178.854 176.094 0.034 0.000 1.057 532 V CA 2.555 64.882 62.300 0.044 0.000 1.022 532 V CB -0.749 31.139 31.823 0.109 0.000 0.645 532 V HN 0.374 nan 8.190 nan 0.000 0.451 533 L N 0.128 121.369 121.223 0.029 0.000 2.051 533 L HA -0.186 4.154 4.340 0.000 0.000 0.214 533 L C 2.526 179.403 176.870 0.012 0.000 1.076 533 L CA 1.876 56.730 54.840 0.024 0.000 0.758 533 L CB -1.143 40.928 42.059 0.021 0.000 0.890 533 L HN 0.532 nan 8.230 nan 0.000 0.433 534 G N -0.921 107.881 108.800 0.003 0.000 2.701 534 G HA2 -0.313 3.647 3.960 0.000 0.000 0.215 534 G HA3 -0.313 3.647 3.960 0.000 0.000 0.215 534 G C 1.564 176.468 174.900 0.006 0.000 1.297 534 G CA 1.078 46.178 45.100 -0.000 0.000 0.807 534 G HN 0.413 nan 8.290 nan 0.000 0.608 535 S N 0.876 116.581 115.700 0.008 0.000 2.406 535 S HA -0.254 4.216 4.470 0.000 0.000 0.242 535 S C 2.339 176.947 174.600 0.014 0.000 1.079 535 S CA 1.776 59.983 58.200 0.013 0.000 1.133 535 S CB -0.637 62.575 63.200 0.019 0.000 1.005 535 S HN 0.312 nan 8.310 nan 0.000 0.443 536 L N 1.050 122.284 121.223 0.017 0.000 1.989 536 L HA -0.198 4.142 4.340 0.000 0.000 0.211 536 L C 2.786 179.664 176.870 0.014 0.000 1.071 536 L CA 1.828 56.678 54.840 0.016 0.000 0.749 536 L CB -0.646 41.424 42.059 0.018 0.000 0.890 536 L HN 0.253 nan 8.230 nan 0.000 0.431 537 E N 0.600 120.807 120.200 0.012 0.000 2.049 537 E HA -0.257 4.093 4.350 0.000 0.000 0.198 537 E C 2.039 178.645 176.600 0.009 0.000 1.007 537 E CA 1.850 58.256 56.400 0.010 0.000 0.809 537 E CB -0.306 29.399 29.700 0.008 0.000 0.749 537 E HN 0.385 nan 8.360 nan 0.000 0.450 538 A N -0.049 122.776 122.820 0.008 0.000 2.172 538 A HA -0.071 4.249 4.320 0.000 0.000 0.216 538 A C 2.118 179.708 177.584 0.010 0.000 1.154 538 A CA 1.444 53.485 52.037 0.008 0.000 0.701 538 A CB -0.510 18.493 19.000 0.006 0.000 0.789 538 A HN 0.206 nan 8.150 nan 0.000 0.465 539 R N 0.562 121.069 120.500 0.012 0.000 2.052 539 R HA 0.018 4.359 4.340 0.000 0.000 0.226 539 R C 0.486 176.796 176.300 0.016 0.000 1.145 539 R CA 0.856 56.965 56.100 0.015 0.000 0.952 539 R CB -0.382 29.927 30.300 0.016 0.000 0.847 539 R HN 0.277 nan 8.270 nan 0.000 0.431 540 K N 2.471 122.880 120.400 0.015 0.000 2.539 540 K HA -0.208 4.112 4.320 0.000 0.000 0.238 540 K C -0.556 176.053 176.600 0.015 0.000 1.307 540 K CA 1.105 57.401 56.287 0.015 0.000 1.275 540 K CB -0.632 31.876 32.500 0.013 0.000 0.891 540 K HN 0.527 nan 8.250 nan 0.000 0.535 541 E N 0.000 120.211 120.200 0.018 0.000 2.725 541 E HA 0.000 4.350 4.350 0.000 0.000 0.291 541 E CA 0.000 56.410 56.400 0.017 0.000 0.976 541 E CB 0.000 29.712 29.700 0.020 0.000 0.812 541 E HN 0.000 nan 8.360 nan 0.000 0.440