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 2frx_1_C DATA FIRST_RESID 8 DATA SEQUENCE FPDAFLTQXR EAXPXXXXFD DFLAACQRPL RRSIRVNTLK ISVADFLQLT DATA SEQUENCE APYGWTLTPI PWCEEGFWXX XXXXXXXPLG STAEHLSGLF YIQEASSXLP DATA SEQUENCE VAALFADGNA PQRVXDVAAA PGSKTTQISA RXNNEGAILA NEFSASRVKV DATA SEQUENCE LHANISRCGI SNVALTHFDG RVFGAAVPEX FDAILLDAPC SGEGVVRKDP DATA SEQUENCE DALKNWSPES NQEIAATQRE LIDSAFHALR PGGTLVYSTC TLNQEENEAV DATA SEQUENCE CLWLKETYPD AVEFLPLGDL FPGANKALTE EGFLHVFPQI YDCEGFFVAR DATA SEQUENCE LRKTQAIPAL PAPKYKVGNF PFSPVKDREA GQIRQAATGV GLNWDENLRL DATA SEQUENCE WQRDKELWLF PVGIEALIGK VRFSRLGIKL AETHNKGYRW QHEAVIALAS DATA SEQUENCE PDNXNAFELT PQEAEEWYRG RDVYPQAAPV ADDVLVTFQH QPIGLAKRIG DATA SEQUENCE SRLKNSYPRE LVRDGKL 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 8 F HA 0.000 nan 4.527 nan 0.000 0.279 8 F C 0.000 175.809 175.800 0.016 0.000 0.967 8 F CA 0.000 57.986 58.000 -0.024 0.000 1.383 8 F CB 0.000 39.028 39.000 0.047 0.000 1.145 9 P HA 0.294 nan 4.420 nan 0.000 0.278 9 P C 0.045 177.401 177.300 0.093 0.000 1.238 9 P CA -0.148 62.977 63.100 0.041 0.000 0.794 9 P CB 1.603 33.325 31.700 0.037 0.000 0.955 10 D N 2.191 122.641 120.400 0.083 0.000 2.137 10 D HA -0.251 4.370 4.640 -0.032 0.000 0.189 10 D C 2.116 178.455 176.300 0.064 0.000 0.998 10 D CA 2.439 56.483 54.000 0.074 0.000 0.839 10 D CB -0.911 39.926 40.800 0.062 0.000 0.962 10 D HN 0.459 nan 8.370 nan 0.000 0.446 11 A N 0.186 123.067 122.820 0.101 0.000 1.940 11 A HA -0.273 4.028 4.320 -0.032 0.000 0.221 11 A C 2.102 179.738 177.584 0.087 0.000 1.190 11 A CA 1.973 54.096 52.037 0.143 0.000 0.647 11 A CB -1.182 17.991 19.000 0.289 0.000 0.821 11 A HN 0.383 nan 8.150 nan 0.000 0.457 12 F N 0.224 120.013 119.950 -0.267 0.000 2.163 12 F HA -0.016 4.491 4.527 -0.033 0.000 0.297 12 F C 1.770 177.457 175.800 -0.188 0.000 1.094 12 F CA 1.627 59.285 58.000 -0.570 0.000 1.290 12 F CB -0.305 37.922 39.000 -1.288 0.000 1.017 12 F HN 0.140 nan 8.300 nan 0.000 0.483 13 L N 0.099 121.132 121.223 -0.316 0.000 2.023 13 L HA -0.115 4.206 4.340 -0.032 0.000 0.205 13 L C 2.322 179.075 176.870 -0.195 0.000 1.073 13 L CA 1.618 56.296 54.840 -0.271 0.000 0.745 13 L CB -1.456 40.624 42.059 0.036 0.000 0.900 13 L HN 0.254 nan 8.230 nan 0.000 0.435 14 T N -1.948 112.538 114.554 -0.113 0.000 3.496 14 T HA 0.081 4.411 4.350 -0.032 0.000 0.253 14 T C 0.289 174.919 174.700 -0.118 0.000 1.134 14 T CA -0.063 61.971 62.100 -0.109 0.000 0.993 14 T CB -0.536 68.302 68.868 -0.050 0.000 1.018 14 T HN 0.445 nan 8.240 nan 0.000 0.571 18 E N 1.163 121.215 120.200 -0.247 0.000 2.437 18 E HA 0.331 4.661 4.350 -0.032 0.000 0.189 18 E C 0.030 176.558 176.600 -0.121 0.000 1.054 18 E CA 0.186 56.488 56.400 -0.164 0.000 0.874 18 E CB 1.200 30.833 29.700 -0.112 0.000 1.011 18 E HN 0.209 nan 8.360 nan 0.000 0.474 27 D N 1.534 121.792 120.400 -0.236 0.000 2.154 27 D HA -0.213 4.408 4.640 -0.032 0.000 0.190 27 D C 1.406 177.518 176.300 -0.312 0.000 1.003 27 D CA 2.489 56.288 54.000 -0.334 0.000 0.849 27 D CB -0.253 40.507 40.800 -0.067 0.000 0.942 27 D HN 0.489 nan 8.370 nan 0.000 0.446 28 D N -0.952 119.349 120.400 -0.166 0.000 2.190 28 D HA -0.174 4.446 4.640 -0.032 0.000 0.200 28 D C 1.780 178.002 176.300 -0.131 0.000 0.992 28 D CA 0.447 54.375 54.000 -0.121 0.000 0.854 28 D CB -0.574 40.189 40.800 -0.061 0.000 0.936 28 D HN 0.350 nan 8.370 nan 0.000 0.462 29 F N 1.227 120.982 119.950 -0.324 0.000 2.075 29 F HA -0.115 4.393 4.527 -0.033 0.000 0.297 29 F C 2.006 177.618 175.800 -0.314 0.000 1.113 29 F CA 1.160 58.978 58.000 -0.302 0.000 1.218 29 F CB -0.421 38.347 39.000 -0.386 0.000 0.984 29 F HN -0.108 nan 8.300 nan 0.000 0.472 30 L N 0.093 120.922 121.223 -0.656 0.000 2.079 30 L HA -0.253 4.067 4.340 -0.032 0.000 0.210 30 L C 2.765 179.346 176.870 -0.481 0.000 1.081 30 L CA 1.293 55.741 54.840 -0.653 0.000 0.752 30 L CB -1.151 40.594 42.059 -0.523 0.000 0.896 30 L HN 0.359 nan 8.230 nan 0.000 0.433 31 A N -0.316 122.293 122.820 -0.352 0.000 1.872 31 A HA -0.071 4.230 4.320 -0.032 0.000 0.214 31 A C 2.510 179.956 177.584 -0.230 0.000 1.187 31 A CA 1.397 53.286 52.037 -0.246 0.000 0.614 31 A CB -0.651 18.245 19.000 -0.173 0.000 0.826 31 A HN 0.377 nan 8.150 nan 0.000 0.442 32 A N -1.031 121.656 122.820 -0.222 0.000 1.933 32 A HA -0.174 4.127 4.320 -0.032 0.000 0.218 32 A C 2.259 179.710 177.584 -0.222 0.000 1.175 32 A CA 1.612 53.546 52.037 -0.172 0.000 0.628 32 A CB -1.325 17.618 19.000 -0.095 0.000 0.814 32 A HN 0.578 nan 8.150 nan 0.000 0.444 33 C N -1.354 117.707 119.300 -0.398 0.000 2.403 33 C HA -0.131 4.309 4.460 -0.032 0.000 0.277 33 C C 2.637 177.434 174.990 -0.322 0.000 1.248 33 C CA 1.580 60.341 59.018 -0.428 0.000 1.762 33 C CB -1.051 26.261 27.740 -0.713 0.000 2.014 33 C HN 0.760 nan 8.230 nan 0.000 0.486 34 Q N -0.010 119.595 119.800 -0.324 0.000 2.280 34 Q HA 0.089 4.410 4.340 -0.032 0.000 0.201 34 Q C 0.572 176.484 176.000 -0.148 0.000 0.890 34 Q CA -0.096 55.549 55.803 -0.263 0.000 0.947 34 Q CB 0.161 28.714 28.738 -0.310 0.000 1.081 34 Q HN 0.715 nan 8.270 nan 0.000 0.502 35 R N 0.059 120.482 120.500 -0.128 0.000 2.664 35 R HA 0.576 4.897 4.340 -0.032 0.000 0.286 35 R C -2.758 173.507 176.300 -0.058 0.000 0.967 35 R CA -2.137 53.913 56.100 -0.083 0.000 0.933 35 R CB 0.801 31.051 30.300 -0.084 0.000 1.146 35 R HN -0.161 nan 8.270 nan 0.000 0.468 36 P HA 0.055 nan 4.420 nan 0.000 0.272 36 P C -0.229 177.067 177.300 -0.008 0.000 1.223 36 P CA -0.339 62.753 63.100 -0.013 0.000 0.784 36 P CB 0.779 32.474 31.700 -0.007 0.000 0.923 37 L N 1.779 123.014 121.223 0.020 0.000 2.473 37 L HA 0.183 4.503 4.340 -0.032 0.000 0.268 37 L C 1.566 178.457 176.870 0.034 0.000 1.215 37 L CA -0.164 54.702 54.840 0.043 0.000 0.823 37 L CB 0.022 42.135 42.059 0.090 0.000 1.099 37 L HN 0.324 nan 8.230 nan 0.000 0.483 38 R N 1.695 122.217 120.500 0.036 0.000 2.340 38 R HA 0.204 4.525 4.340 -0.032 0.000 0.300 38 R C -0.402 175.997 176.300 0.164 0.000 1.069 38 R CA -0.631 55.490 56.100 0.034 0.000 0.984 38 R CB 0.693 30.911 30.300 -0.138 0.000 1.003 38 R HN 0.531 nan 8.270 nan 0.000 0.459 39 R N 1.378 121.937 120.500 0.098 0.000 2.566 39 R HA -0.023 4.298 4.340 -0.032 0.000 0.273 39 R C -0.098 176.303 176.300 0.168 0.000 0.981 39 R CA 0.407 56.556 56.100 0.081 0.000 1.091 39 R CB 0.265 30.556 30.300 -0.015 0.000 0.924 39 R HN 0.320 nan 8.270 nan 0.000 0.411 40 S N 3.040 118.812 115.700 0.119 0.000 2.575 40 S HA 0.538 4.988 4.470 -0.032 0.000 0.278 40 S C -0.825 173.790 174.600 0.024 0.000 1.139 40 S CA -0.793 57.446 58.200 0.066 0.000 0.954 40 S CB 0.986 64.214 63.200 0.045 0.000 1.054 40 S HN 0.517 nan 8.310 nan 0.000 0.483 41 I N 3.846 124.412 120.570 -0.008 0.000 2.608 41 I HA 0.561 4.711 4.170 -0.032 0.000 0.295 41 I C -0.276 175.862 176.117 0.035 0.000 1.049 41 I CA -0.807 60.535 61.300 0.070 0.000 1.063 41 I CB 2.120 40.117 38.000 -0.006 0.000 1.248 41 I HN 0.574 nan 8.210 nan 0.000 0.424 42 R N 5.896 126.457 120.500 0.101 0.000 2.480 42 R HA 0.568 4.888 4.340 -0.032 0.000 0.306 42 R C -1.642 174.664 176.300 0.009 0.000 0.958 42 R CA -0.498 55.604 56.100 0.003 0.000 0.861 42 R CB 1.835 32.107 30.300 -0.048 0.000 1.171 42 R HN 0.408 nan 8.270 nan 0.000 0.445 43 V N 3.896 123.734 119.914 -0.127 0.000 2.715 43 V HA 0.003 4.104 4.120 -0.032 0.000 0.299 43 V C 0.391 176.431 176.094 -0.089 0.000 1.054 43 V CA -0.198 61.951 62.300 -0.253 0.000 1.077 43 V CB 1.016 32.614 31.823 -0.375 0.000 0.972 43 V HN 0.705 nan 8.190 nan 0.000 0.484 44 N N 3.318 121.996 118.700 -0.036 0.000 2.645 44 N HA 0.112 4.833 4.740 -0.032 0.000 0.233 44 N C 1.086 176.603 175.510 0.011 0.000 1.058 44 N CA 0.108 53.164 53.050 0.010 0.000 0.942 44 N CB 1.005 39.517 38.487 0.041 0.000 1.210 44 N HN 0.680 nan 8.380 nan 0.000 0.512 45 T N 3.049 117.596 114.554 -0.011 0.000 2.721 45 T HA -0.161 4.169 4.350 -0.032 0.000 0.268 45 T C 1.666 176.372 174.700 0.009 0.000 1.038 45 T CA 1.208 63.304 62.100 -0.006 0.000 1.145 45 T CB -0.093 68.755 68.868 -0.033 0.000 0.858 45 T HN 0.502 nan 8.240 nan 0.000 0.459 46 L N -0.100 121.129 121.223 0.010 0.000 2.549 46 L HA -0.019 4.302 4.340 -0.032 0.000 0.230 46 L C 2.404 179.292 176.870 0.030 0.000 1.162 46 L CA 1.027 55.878 54.840 0.018 0.000 0.834 46 L CB -0.304 41.767 42.059 0.021 0.000 0.947 46 L HN 0.173 nan 8.230 nan 0.000 0.452 47 K N -0.818 119.608 120.400 0.044 0.000 2.474 47 K HA 0.390 4.691 4.320 -0.032 0.000 0.202 47 K C 0.198 176.843 176.600 0.075 0.000 1.248 47 K CA 0.177 56.499 56.287 0.059 0.000 0.946 47 K CB 2.016 34.561 32.500 0.074 0.000 1.102 47 K HN 0.078 nan 8.250 nan 0.000 0.541 48 I N 1.034 121.655 120.570 0.084 0.000 2.800 48 I HA 0.060 4.211 4.170 -0.032 0.000 0.294 48 I C -1.187 174.985 176.117 0.092 0.000 1.538 48 I CA -0.521 60.841 61.300 0.103 0.000 1.010 48 I CB 2.192 40.297 38.000 0.176 0.000 1.381 48 I HN 0.040 nan 8.210 nan 0.000 0.462 49 S N 4.264 120.015 115.700 0.084 0.000 2.614 49 S HA 0.298 4.749 4.470 -0.032 0.000 0.265 49 S C 1.059 175.726 174.600 0.111 0.000 1.303 49 S CA -0.712 57.531 58.200 0.071 0.000 1.000 49 S CB 1.722 64.954 63.200 0.053 0.000 0.935 49 S HN 0.468 nan 8.310 nan 0.000 0.551 50 V N 1.796 121.769 119.914 0.097 0.000 2.233 50 V HA -0.233 3.868 4.120 -0.032 0.000 0.247 50 V C 2.964 179.157 176.094 0.165 0.000 1.050 50 V CA 2.404 64.794 62.300 0.149 0.000 1.010 50 V CB -1.876 30.036 31.823 0.149 0.000 0.637 50 V HN 1.049 nan 8.190 nan 0.000 0.444 51 A N 0.048 122.932 122.820 0.107 0.000 1.903 51 A HA -0.347 3.954 4.320 -0.032 0.000 0.219 51 A C 2.008 179.629 177.584 0.063 0.000 1.191 51 A CA 2.514 54.595 52.037 0.073 0.000 0.638 51 A CB -0.841 18.185 19.000 0.044 0.000 0.823 51 A HN 0.571 nan 8.150 nan 0.000 0.451 52 D N -1.536 118.908 120.400 0.073 0.000 2.117 52 D HA -0.109 4.512 4.640 -0.032 0.000 0.197 52 D C 1.640 177.974 176.300 0.057 0.000 0.987 52 D CA 1.163 55.188 54.000 0.042 0.000 0.829 52 D CB -0.468 40.358 40.800 0.042 0.000 0.961 52 D HN 0.465 nan 8.370 nan 0.000 0.460 53 F N 0.880 120.821 119.950 -0.016 0.000 2.126 53 F HA -0.225 4.283 4.527 -0.032 0.000 0.299 53 F C 1.997 177.756 175.800 -0.069 0.000 1.096 53 F CA 0.975 58.967 58.000 -0.015 0.000 1.255 53 F CB -0.084 38.933 39.000 0.028 0.000 0.997 53 F HN -0.098 nan 8.300 nan 0.000 0.479 54 L N 0.267 121.544 121.223 0.091 0.000 2.017 54 L HA -0.227 4.094 4.340 -0.032 0.000 0.208 54 L C 2.506 179.287 176.870 -0.148 0.000 1.073 54 L CA 1.582 56.387 54.840 -0.059 0.000 0.745 54 L CB -1.473 40.569 42.059 -0.028 0.000 0.894 54 L HN 0.165 nan 8.230 nan 0.000 0.432 55 Q N -0.925 118.808 119.800 -0.112 0.000 2.061 55 Q HA -0.222 4.099 4.340 -0.032 0.000 0.204 55 Q C 2.310 178.180 176.000 -0.217 0.000 0.984 55 Q CA 1.524 57.241 55.803 -0.143 0.000 0.846 55 Q CB -0.885 27.788 28.738 -0.108 0.000 0.902 55 Q HN 0.395 nan 8.270 nan 0.000 0.421 56 L N 0.770 121.842 121.223 -0.251 0.000 2.083 56 L HA -0.117 4.203 4.340 -0.032 0.000 0.209 56 L C 1.834 178.459 176.870 -0.408 0.000 1.083 56 L CA 2.358 57.009 54.840 -0.316 0.000 0.752 56 L CB -0.676 41.206 42.059 -0.294 0.000 0.899 56 L HN 0.352 nan 8.230 nan 0.000 0.433 57 T N -4.232 110.024 114.554 -0.497 0.000 3.105 57 T HA 0.359 4.689 4.350 -0.032 0.000 0.253 57 T C 1.742 176.139 174.700 -0.505 0.000 1.047 57 T CA 0.262 62.052 62.100 -0.517 0.000 0.944 57 T CB -0.214 68.249 68.868 -0.675 0.000 1.016 57 T HN 0.285 nan 8.240 nan 0.000 0.544 58 A N 3.124 125.713 122.820 -0.385 0.000 1.903 58 A HA 0.000 4.301 4.320 -0.032 0.000 0.219 58 A C 0.317 177.703 177.584 -0.330 0.000 1.191 58 A CA 1.437 53.293 52.037 -0.301 0.000 0.638 58 A CB -1.848 17.021 19.000 -0.217 0.000 0.823 58 A HN 0.471 nan 8.150 nan 0.000 0.451 59 P HA -0.206 nan 4.420 nan 0.000 0.218 59 P C 0.800 177.852 177.300 -0.413 0.000 1.152 59 P CA 1.364 64.223 63.100 -0.401 0.000 0.857 59 P CB -0.229 31.165 31.700 -0.510 0.000 0.787 60 Y N -1.039 118.958 120.300 -0.505 0.000 2.421 60 Y HA 0.119 4.650 4.550 -0.032 0.000 0.292 60 Y C 1.731 177.344 175.900 -0.479 0.000 1.136 60 Y CA 0.969 58.693 58.100 -0.627 0.000 1.255 60 Y CB -1.175 36.474 38.460 -1.352 0.000 0.991 60 Y HN -0.050 nan 8.280 nan 0.000 0.552 61 G N -0.042 108.609 108.800 -0.248 0.000 2.374 61 G HA2 -0.248 3.692 3.960 -0.032 0.000 0.289 61 G HA3 -0.248 3.692 3.960 -0.032 0.000 0.289 61 G C -0.621 174.347 174.900 0.113 0.000 1.004 61 G CA -0.182 44.877 45.100 -0.067 0.000 1.292 61 G HN 0.194 nan 8.290 nan 0.000 0.502 62 W N 0.397 121.704 121.300 0.012 0.000 2.606 62 W HA 0.680 5.320 4.660 -0.033 0.000 0.332 62 W C 0.838 177.349 176.519 -0.014 0.000 1.052 62 W CA -0.997 56.344 57.345 -0.007 0.000 1.223 62 W CB 1.352 30.793 29.460 -0.033 0.000 1.383 62 W HN 0.645 nan 8.180 nan 0.000 0.524 63 T N 1.301 115.992 114.554 0.229 0.000 2.806 63 T HA 0.719 5.049 4.350 -0.032 0.000 0.290 63 T C -0.629 174.162 174.700 0.151 0.000 0.966 63 T CA -0.503 61.684 62.100 0.144 0.000 1.060 63 T CB 0.534 69.461 68.868 0.097 0.000 0.927 63 T HN 0.300 nan 8.240 nan 0.000 0.485 64 L N 4.034 125.341 121.223 0.139 0.000 2.377 64 L HA 0.341 4.661 4.340 -0.032 0.000 0.270 64 L C 0.233 177.272 176.870 0.281 0.000 0.991 64 L CA -0.891 54.057 54.840 0.180 0.000 0.851 64 L CB 1.839 43.904 42.059 0.010 0.000 1.218 64 L HN 0.766 nan 8.230 nan 0.000 0.420 65 T N 4.264 119.013 114.554 0.325 0.000 2.814 65 T HA 0.209 4.539 4.350 -0.032 0.000 0.297 65 T C -2.322 172.587 174.700 0.350 0.000 0.956 65 T CA -0.957 61.343 62.100 0.334 0.000 1.123 65 T CB 0.569 69.647 68.868 0.350 0.000 0.902 65 T HN 0.303 nan 8.240 nan 0.000 0.528 66 P HA 0.225 nan 4.420 nan 0.000 0.276 66 P C -0.309 176.787 177.300 -0.340 0.000 1.230 66 P CA -0.440 62.560 63.100 -0.166 0.000 0.776 66 P CB 0.595 32.244 31.700 -0.085 0.000 0.888 67 I N 5.837 125.945 120.570 -0.771 0.000 2.416 67 I HA 0.073 4.224 4.170 -0.032 0.000 0.288 67 I C -1.267 174.271 176.117 -0.965 0.000 1.051 67 I CA -2.196 58.419 61.300 -1.142 0.000 1.375 67 I CB 0.985 38.047 38.000 -1.564 0.000 1.407 67 I HN 0.186 nan 8.210 nan 0.000 0.516 68 P HA -0.140 nan 4.420 nan 0.000 0.218 68 P C 0.850 177.883 177.300 -0.445 0.000 1.148 68 P CA 1.587 64.387 63.100 -0.500 0.000 0.822 68 P CB 0.029 31.547 31.700 -0.303 0.000 0.784 69 W N -2.741 118.170 121.300 -0.648 0.000 3.330 69 W HA 0.499 5.140 4.660 -0.032 0.000 0.348 69 W C -0.391 175.917 176.519 -0.352 0.000 1.205 69 W CA -0.741 56.258 57.345 -0.577 0.000 1.841 69 W CB -0.757 28.145 29.460 -0.930 0.000 1.084 69 W HN -0.117 nan 8.180 nan 0.000 0.665 70 C N 1.928 120.977 119.300 -0.417 0.000 2.968 70 C HA 0.234 4.674 4.460 -0.032 0.000 0.389 70 C C 1.266 175.999 174.990 -0.429 0.000 1.068 70 C CA -0.565 58.250 59.018 -0.338 0.000 1.272 70 C CB 0.244 27.783 27.740 -0.336 0.000 1.711 70 C HN 0.456 nan 8.230 nan 0.000 0.501 71 E N 1.133 121.159 120.200 -0.291 0.000 2.409 71 E HA -0.139 4.192 4.350 -0.032 0.000 0.198 71 E C 0.910 177.314 176.600 -0.327 0.000 1.024 71 E CA 1.173 57.401 56.400 -0.287 0.000 0.861 71 E CB 0.364 29.978 29.700 -0.144 0.000 0.788 71 E HN 0.736 nan 8.360 nan 0.000 0.521 72 E N -0.371 119.648 120.200 -0.302 0.000 2.465 72 E HA 0.118 4.449 4.350 -0.032 0.000 0.191 72 E C 0.212 176.586 176.600 -0.376 0.000 1.053 72 E CA -0.019 56.235 56.400 -0.244 0.000 0.869 72 E CB 1.088 30.696 29.700 -0.154 0.000 0.977 72 E HN 0.106 nan 8.360 nan 0.000 0.483 73 G N -0.032 108.361 108.800 -0.680 0.000 2.416 73 G HA2 0.608 4.549 3.960 -0.032 0.000 0.329 73 G HA3 0.608 4.549 3.960 -0.032 0.000 0.329 73 G C -0.988 173.234 174.900 -1.131 0.000 1.173 73 G CA -0.459 44.207 45.100 -0.724 0.000 0.929 73 G HN 0.010 nan 8.290 nan 0.000 0.475 74 F N -0.278 119.451 119.950 -0.369 0.000 2.645 74 F HA 0.580 5.088 4.527 -0.032 0.000 0.310 74 F C -0.462 175.200 175.800 -0.230 0.000 1.102 74 F CA -1.109 56.739 58.000 -0.254 0.000 0.952 74 F CB 2.058 41.004 39.000 -0.090 0.000 1.326 74 F HN 0.347 nan 8.300 nan 0.000 0.456 86 L N 0.892 122.075 121.223 -0.065 0.000 2.010 86 L HA -0.199 4.121 4.340 -0.032 0.000 0.219 86 L C 2.251 179.058 176.870 -0.104 0.000 1.077 86 L CA 2.664 57.475 54.840 -0.050 0.000 0.773 86 L CB -0.610 41.421 42.059 -0.046 0.000 0.892 86 L HN 0.596 nan 8.230 nan 0.000 0.436 87 G N -1.446 107.179 108.800 -0.291 0.000 2.509 87 G HA2 -0.182 3.759 3.960 -0.032 0.000 0.218 87 G HA3 -0.182 3.759 3.960 -0.032 0.000 0.218 87 G C 1.127 175.846 174.900 -0.302 0.000 1.124 87 G CA 0.789 45.517 45.100 -0.620 0.000 0.776 87 G HN 0.536 nan 8.290 nan 0.000 0.547 88 S N -0.408 115.215 115.700 -0.129 0.000 2.552 88 S HA 0.334 4.785 4.470 -0.032 0.000 0.246 88 S C 0.320 174.912 174.600 -0.013 0.000 1.019 88 S CA -0.336 57.825 58.200 -0.066 0.000 1.045 88 S CB 0.547 63.721 63.200 -0.043 0.000 0.784 88 S HN 0.091 nan 8.310 nan 0.000 0.453 89 T N 1.226 115.808 114.554 0.045 0.000 2.829 89 T HA 0.612 4.942 4.350 -0.032 0.000 0.282 89 T C 1.403 176.202 174.700 0.165 0.000 0.990 89 T CA -0.065 62.114 62.100 0.133 0.000 1.028 89 T CB 1.017 69.990 68.868 0.176 0.000 0.951 89 T HN 0.278 nan 8.240 nan 0.000 0.460 90 A N 4.263 127.186 122.820 0.171 0.000 1.915 90 A HA -0.179 4.122 4.320 -0.032 0.000 0.220 90 A C 1.968 179.709 177.584 0.262 0.000 1.198 90 A CA 2.516 54.654 52.037 0.168 0.000 0.647 90 A CB -0.862 18.342 19.000 0.340 0.000 0.825 90 A HN 0.935 nan 8.150 nan 0.000 0.456 91 E N -1.597 118.839 120.200 0.393 0.000 2.118 91 E HA -0.221 4.110 4.350 -0.032 0.000 0.195 91 E C 1.880 178.698 176.600 0.363 0.000 0.992 91 E CA 1.616 58.310 56.400 0.490 0.000 0.804 91 E CB -0.367 29.725 29.700 0.652 0.000 0.741 91 E HN 0.902 nan 8.360 nan 0.000 0.458 92 H N -0.288 118.855 119.070 0.121 0.000 2.357 92 H HA 0.012 4.548 4.556 -0.032 0.000 0.301 92 H C 1.738 176.927 175.328 -0.233 0.000 1.082 92 H CA 1.284 57.062 56.048 -0.451 0.000 1.342 92 H CB 0.038 29.533 29.762 -0.445 0.000 1.389 92 H HN 0.067 nan 8.280 nan 0.000 0.511 93 L N -0.009 121.220 121.223 0.010 0.000 2.093 93 L HA -0.125 4.196 4.340 -0.032 0.000 0.208 93 L C 2.301 179.238 176.870 0.113 0.000 1.085 93 L CA 1.384 56.211 54.840 -0.022 0.000 0.755 93 L CB -0.358 41.456 42.059 -0.409 0.000 0.904 93 L HN 0.368 nan 8.230 nan 0.000 0.435 94 S N -0.464 115.327 115.700 0.151 0.000 2.603 94 S HA 0.173 4.623 4.470 -0.032 0.000 0.220 94 S C 1.451 176.105 174.600 0.091 0.000 0.967 94 S CA 0.215 58.530 58.200 0.193 0.000 0.920 94 S CB -0.092 63.251 63.200 0.239 0.000 0.773 94 S HN 0.525 nan 8.310 nan 0.000 0.529 95 G N 1.463 110.239 108.800 -0.039 0.000 2.246 95 G HA2 -0.236 3.705 3.960 -0.032 0.000 0.273 95 G HA3 -0.236 3.705 3.960 -0.032 0.000 0.273 95 G C 0.309 175.194 174.900 -0.026 0.000 1.055 95 G CA 0.505 45.534 45.100 -0.118 0.000 0.851 95 G HN 0.604 nan 8.290 nan 0.000 0.500 96 L N -1.588 119.686 121.223 0.084 0.000 2.567 96 L HA 0.519 4.839 4.340 -0.032 0.000 0.225 96 L C 0.992 178.047 176.870 0.309 0.000 1.119 96 L CA 0.194 55.195 54.840 0.269 0.000 0.871 96 L CB -0.253 42.099 42.059 0.487 0.000 1.036 96 L HN 0.518 nan 8.230 nan 0.000 0.459 97 F N -3.021 116.938 119.950 0.015 0.000 2.713 97 F HA 0.556 5.063 4.527 -0.033 0.000 0.311 97 F C -1.417 174.351 175.800 -0.053 0.000 1.141 97 F CA -1.665 56.304 58.000 -0.053 0.000 0.939 97 F CB 1.073 40.031 39.000 -0.069 0.000 1.325 97 F HN -0.298 nan 8.300 nan 0.000 0.453 98 Y N 2.389 122.729 120.300 0.067 0.000 2.352 98 Y HA 0.644 5.175 4.550 -0.032 0.000 0.339 98 Y C -0.229 175.790 175.900 0.198 0.000 0.992 98 Y CA -1.088 57.012 58.100 0.001 0.000 1.100 98 Y CB 1.517 39.972 38.460 -0.009 0.000 1.192 98 Y HN 0.621 nan 8.280 nan 0.000 0.458 99 I N 6.759 127.554 120.570 0.376 0.000 2.389 99 I HA 0.066 4.217 4.170 -0.032 0.000 0.295 99 I C -0.582 175.797 176.117 0.436 0.000 1.117 99 I CA 0.393 61.917 61.300 0.374 0.000 1.317 99 I CB -0.152 37.983 38.000 0.227 0.000 1.431 99 I HN 0.556 nan 8.210 nan 0.000 0.521 100 Q N 5.308 125.276 119.800 0.280 0.000 2.379 100 Q HA 0.500 4.821 4.340 -0.032 0.000 0.278 100 Q C -1.315 174.707 176.000 0.038 0.000 1.068 100 Q CA -1.070 54.810 55.803 0.130 0.000 0.816 100 Q CB 1.826 30.546 28.738 -0.031 0.000 1.387 100 Q HN 0.446 nan 8.270 nan 0.000 0.413 101 E N 1.207 121.424 120.200 0.027 0.000 2.373 101 E HA 0.234 4.565 4.350 -0.032 0.000 0.267 101 E C 0.564 177.132 176.600 -0.053 0.000 1.032 101 E CA 0.236 56.649 56.400 0.022 0.000 0.889 101 E CB 0.998 30.726 29.700 0.046 0.000 0.984 101 E HN 0.771 nan 8.360 nan 0.000 0.425 102 A N 3.395 126.187 122.820 -0.048 0.000 1.896 102 A HA -0.305 3.996 4.320 -0.032 0.000 0.220 102 A C 2.299 179.926 177.584 0.071 0.000 1.206 102 A CA 2.407 54.414 52.037 -0.050 0.000 0.647 102 A CB -0.842 18.203 19.000 0.075 0.000 0.828 102 A HN 0.611 nan 8.150 nan 0.000 0.455 103 S N -0.348 115.281 115.700 -0.118 0.000 2.380 103 S HA -0.092 4.359 4.470 -0.032 0.000 0.229 103 S C 1.451 175.422 174.600 -1.048 0.000 1.043 103 S CA 1.052 58.814 58.200 -0.730 0.000 1.038 103 S CB -0.358 62.286 63.200 -0.927 0.000 0.872 103 S HN 0.650 nan 8.310 nan 0.000 0.456 107 P HA -0.093 nan 4.420 nan 0.000 0.215 107 P C 1.889 179.220 177.300 0.052 0.000 1.157 107 P CA 2.139 65.266 63.100 0.045 0.000 0.874 107 P CB 0.130 31.890 31.700 0.100 0.000 0.790 108 V N -0.325 119.630 119.914 0.068 0.000 2.515 108 V HA -0.201 3.900 4.120 -0.032 0.000 0.250 108 V C 2.444 178.672 176.094 0.224 0.000 1.058 108 V CA 1.902 64.295 62.300 0.154 0.000 1.064 108 V CB -1.757 30.144 31.823 0.130 0.000 0.675 108 V HN 0.098 nan 8.190 nan 0.000 0.461 109 A N 0.484 123.383 122.820 0.131 0.000 1.858 109 A HA -0.150 4.151 4.320 -0.032 0.000 0.216 109 A C 2.454 180.129 177.584 0.152 0.000 1.190 109 A CA 2.188 54.310 52.037 0.142 0.000 0.617 109 A CB -0.873 18.193 19.000 0.110 0.000 0.827 109 A HN 0.565 nan 8.150 nan 0.000 0.443 110 A N -0.785 122.092 122.820 0.096 0.000 1.933 110 A HA -0.038 4.263 4.320 -0.032 0.000 0.218 110 A C 2.147 179.763 177.584 0.053 0.000 1.175 110 A CA 1.632 53.715 52.037 0.076 0.000 0.628 110 A CB -0.587 18.439 19.000 0.042 0.000 0.814 110 A HN 0.652 nan 8.150 nan 0.000 0.444 111 L N -1.849 119.392 121.223 0.029 0.000 2.131 111 L HA -0.020 4.300 4.340 -0.032 0.000 0.210 111 L C 1.296 177.981 176.870 -0.307 0.000 1.092 111 L CA 1.680 56.435 54.840 -0.142 0.000 0.759 111 L CB -0.226 41.711 42.059 -0.204 0.000 0.903 111 L HN 0.385 nan 8.230 nan 0.000 0.435 112 F N -0.374 119.594 119.950 0.030 0.000 2.639 112 F HA 0.442 4.951 4.527 -0.030 0.000 0.302 112 F C 1.230 177.052 175.800 0.036 0.000 1.097 112 F CA -0.233 57.786 58.000 0.031 0.000 1.294 112 F CB -0.649 38.365 39.000 0.024 0.000 1.027 112 F HN -0.027 nan 8.300 nan 0.000 0.550 113 A N 0.175 123.094 122.820 0.165 0.000 2.466 113 A HA 0.167 4.467 4.320 -0.032 0.000 0.238 113 A C 0.756 178.399 177.584 0.098 0.000 1.074 113 A CA 0.088 52.200 52.037 0.126 0.000 0.774 113 A CB -0.157 18.907 19.000 0.105 0.000 1.015 113 A HN 0.539 nan 8.150 nan 0.000 0.498 114 D N 0.317 120.769 120.400 0.086 0.000 2.716 114 D HA -0.173 4.447 4.640 -0.032 0.000 0.239 114 D C 0.871 177.212 176.300 0.069 0.000 1.125 114 D CA 1.658 55.697 54.000 0.066 0.000 0.681 114 D CB -1.777 39.055 40.800 0.053 0.000 1.070 114 D HN 1.944 nan 8.370 nan 0.000 0.432 115 G N 0.658 109.509 108.800 0.084 0.000 2.361 115 G HA2 -0.395 3.546 3.960 -0.032 0.000 0.294 115 G HA3 -0.395 3.546 3.960 -0.032 0.000 0.294 115 G C 0.283 175.242 174.900 0.098 0.000 1.004 115 G CA 0.628 45.782 45.100 0.090 0.000 0.870 115 G HN 0.600 nan 8.290 nan 0.000 0.510 116 N N 0.365 119.127 118.700 0.104 0.000 2.452 116 N HA 0.463 5.183 4.740 -0.032 0.000 0.266 116 N C 0.335 175.934 175.510 0.148 0.000 1.209 116 N CA 0.693 53.787 53.050 0.074 0.000 0.929 116 N CB 0.605 39.092 38.487 -0.000 0.000 1.063 116 N HN 0.719 nan 8.380 nan 0.000 0.472 117 A N 5.051 127.943 122.820 0.120 0.000 3.064 117 A HA 0.354 4.655 4.320 -0.032 0.000 0.339 117 A C -2.282 175.379 177.584 0.129 0.000 1.078 117 A CA -1.139 51.009 52.037 0.186 0.000 0.869 117 A CB -0.042 19.043 19.000 0.142 0.000 1.067 117 A HN 0.615 nan 8.150 nan 0.000 0.480 118 P HA 0.200 nan 4.420 nan 0.000 0.271 118 P C -0.067 177.299 177.300 0.110 0.000 1.218 118 P CA 0.104 63.227 63.100 0.039 0.000 0.780 118 P CB 1.102 32.753 31.700 -0.081 0.000 0.901 119 Q N 0.280 120.131 119.800 0.086 0.000 2.350 119 Q HA 0.127 4.447 4.340 -0.032 0.000 0.225 119 Q C 0.649 176.709 176.000 0.100 0.000 0.878 119 Q CA 0.165 56.025 55.803 0.095 0.000 0.935 119 Q CB 0.708 29.486 28.738 0.067 0.000 1.099 119 Q HN 0.367 nan 8.270 nan 0.000 0.527 120 R N 0.629 121.194 120.500 0.108 0.000 2.539 120 R HA 0.450 4.770 4.340 -0.032 0.000 0.295 120 R C -1.666 174.805 176.300 0.284 0.000 1.138 120 R CA -0.209 55.984 56.100 0.155 0.000 0.936 120 R CB 1.159 31.498 30.300 0.066 0.000 1.182 120 R HN -0.140 nan 8.270 nan 0.000 0.459 124 V N 1.758 121.591 119.914 -0.134 0.000 2.379 124 V HA 0.193 4.294 4.120 -0.032 0.000 0.245 124 V C 1.433 177.548 176.094 0.035 0.000 1.044 124 V CA 1.704 63.951 62.300 -0.088 0.000 1.036 124 V CB -0.363 31.424 31.823 -0.060 0.000 0.664 124 V HN 0.711 nan 8.190 nan 0.000 0.453 125 A N -0.699 122.140 122.820 0.031 0.000 2.802 125 A HA 0.766 5.066 4.320 -0.032 0.000 0.344 125 A C 0.951 178.571 177.584 0.061 0.000 1.215 125 A CA 0.309 52.384 52.037 0.062 0.000 0.821 125 A CB 0.751 19.776 19.000 0.042 0.000 1.099 125 A HN 0.325 nan 8.150 nan 0.000 0.479 126 A N 1.237 124.104 122.820 0.078 0.000 2.030 126 A HA 0.554 4.855 4.320 -0.032 0.000 0.215 126 A C 1.489 179.127 177.584 0.090 0.000 1.164 126 A CA 0.931 53.012 52.037 0.075 0.000 0.697 126 A CB -0.319 18.732 19.000 0.083 0.000 0.827 126 A HN 1.542 nan 8.150 nan 0.000 0.457 127 A N 0.570 123.455 122.820 0.109 0.000 2.483 127 A HA 0.436 4.736 4.320 -0.032 0.000 0.238 127 A C -1.391 176.257 177.584 0.107 0.000 1.070 127 A CA -0.519 51.589 52.037 0.119 0.000 0.770 127 A CB -0.151 18.924 19.000 0.125 0.000 1.008 127 A HN 0.215 nan 8.150 nan 0.000 0.497 128 P HA 0.233 nan 4.420 nan 0.000 0.257 128 P C 0.728 178.141 177.300 0.189 0.000 1.281 128 P CA 0.953 64.145 63.100 0.153 0.000 0.826 128 P CB 0.587 32.391 31.700 0.174 0.000 1.237 129 G N -0.611 108.271 108.800 0.136 0.000 2.211 129 G HA2 -0.289 3.652 3.960 -0.032 0.000 0.201 129 G HA3 -0.289 3.652 3.960 -0.032 0.000 0.201 129 G C 1.324 176.182 174.900 -0.070 0.000 0.997 129 G CA 0.461 45.633 45.100 0.121 0.000 0.652 129 G HN 0.366 nan 8.290 nan 0.000 0.500 130 S N 0.926 116.498 115.700 -0.214 0.000 2.368 130 S HA -0.191 4.259 4.470 -0.032 0.000 0.226 130 S C 2.091 176.429 174.600 -0.437 0.000 1.044 130 S CA 1.971 59.741 58.200 -0.715 0.000 1.062 130 S CB -0.433 62.512 63.200 -0.425 0.000 0.931 130 S HN 0.664 nan 8.310 nan 0.000 0.440 131 K N 0.573 120.864 120.400 -0.182 0.000 2.062 131 K HA 0.012 4.313 4.320 -0.032 0.000 0.205 131 K C 2.530 179.102 176.600 -0.048 0.000 1.051 131 K CA 1.475 57.707 56.287 -0.092 0.000 0.941 131 K CB -0.873 31.616 32.500 -0.019 0.000 0.719 131 K HN 0.382 nan 8.250 nan 0.000 0.440 132 T N 1.453 115.995 114.554 -0.020 0.000 2.665 132 T HA -0.183 4.148 4.350 -0.032 0.000 0.268 132 T C 2.211 176.927 174.700 0.026 0.000 1.035 132 T CA 2.292 64.409 62.100 0.029 0.000 1.151 132 T CB -0.542 68.362 68.868 0.059 0.000 0.862 132 T HN 0.550 nan 8.240 nan 0.000 0.438 133 T N 0.432 114.985 114.554 -0.002 0.000 2.821 133 T HA -0.159 4.171 4.350 -0.032 0.000 0.267 133 T C 1.989 176.677 174.700 -0.020 0.000 1.046 133 T CA 1.525 63.639 62.100 0.023 0.000 1.139 133 T CB -0.420 68.504 68.868 0.094 0.000 0.871 133 T HN 0.486 nan 8.240 nan 0.000 0.454 134 Q N 0.749 120.502 119.800 -0.079 0.000 2.084 134 Q HA -0.033 4.287 4.340 -0.032 0.000 0.202 134 Q C 2.316 178.275 176.000 -0.068 0.000 0.978 134 Q CA 1.499 57.251 55.803 -0.084 0.000 0.844 134 Q CB -0.435 28.240 28.738 -0.106 0.000 0.898 134 Q HN 0.671 nan 8.270 nan 0.000 0.426 135 I N 0.329 120.904 120.570 0.009 0.000 2.179 135 I HA -0.283 3.867 4.170 -0.032 0.000 0.242 135 I C 2.658 178.774 176.117 -0.002 0.000 1.088 135 I CA 1.215 62.566 61.300 0.084 0.000 1.357 135 I CB -0.448 37.683 38.000 0.218 0.000 1.051 135 I HN 0.289 nan 8.210 nan 0.000 0.409 136 S N 0.610 116.324 115.700 0.025 0.000 2.351 136 S HA -0.275 4.176 4.470 -0.032 0.000 0.220 136 S C 2.298 176.879 174.600 -0.032 0.000 1.035 136 S CA 1.693 59.908 58.200 0.025 0.000 1.031 136 S CB -0.417 62.811 63.200 0.048 0.000 0.928 136 S HN 0.472 nan 8.310 nan 0.000 0.433 137 A N 3.094 125.883 122.820 -0.051 0.000 1.896 137 A HA -0.161 4.139 4.320 -0.032 0.000 0.220 137 A C 1.585 179.077 177.584 -0.154 0.000 1.206 137 A CA 1.369 53.358 52.037 -0.079 0.000 0.647 137 A CB -0.861 18.091 19.000 -0.080 0.000 0.828 137 A HN 0.559 nan 8.150 nan 0.000 0.455 141 N N 0.651 119.368 118.700 0.027 0.000 2.878 141 N HA -0.151 4.569 4.740 -0.032 0.000 0.247 141 N C -0.444 175.105 175.510 0.065 0.000 1.021 141 N CA 1.287 54.368 53.050 0.050 0.000 0.873 141 N CB -0.207 38.310 38.487 0.051 0.000 1.128 141 N HN 0.440 nan 8.380 nan 0.000 0.571 142 E N -0.142 120.096 120.200 0.063 0.000 2.302 142 E HA 0.656 4.986 4.350 -0.032 0.000 0.255 142 E C 1.504 178.154 176.600 0.082 0.000 1.099 142 E CA 0.266 56.709 56.400 0.071 0.000 0.929 142 E CB -0.044 29.695 29.700 0.064 0.000 1.203 142 E HN 0.373 nan 8.360 nan 0.000 0.459 143 G N 0.077 108.924 108.800 0.078 0.000 2.575 143 G HA2 0.042 3.982 3.960 -0.032 0.000 0.267 143 G HA3 0.042 3.982 3.960 -0.032 0.000 0.267 143 G C -0.491 174.459 174.900 0.084 0.000 1.264 143 G CA 0.168 45.316 45.100 0.081 0.000 0.935 143 G HN 0.943 nan 8.290 nan 0.000 0.568 144 A N -1.366 121.510 122.820 0.094 0.000 2.572 144 A HA 0.800 5.100 4.320 -0.032 0.000 0.295 144 A C -0.672 176.992 177.584 0.133 0.000 1.072 144 A CA -0.168 51.928 52.037 0.097 0.000 0.691 144 A CB 1.333 20.373 19.000 0.066 0.000 1.291 144 A HN 1.384 nan 8.150 nan 0.000 0.404 145 I N 0.993 121.643 120.570 0.133 0.000 2.569 145 I HA 0.466 4.617 4.170 -0.032 0.000 0.296 145 I C -0.716 175.504 176.117 0.171 0.000 1.028 145 I CA -0.584 60.804 61.300 0.148 0.000 1.082 145 I CB 2.059 40.131 38.000 0.120 0.000 1.264 145 I HN 0.613 nan 8.210 nan 0.000 0.429 146 L N 5.690 127.027 121.223 0.189 0.000 2.276 146 L HA 0.687 5.007 4.340 -0.032 0.000 0.286 146 L C -0.066 176.854 176.870 0.083 0.000 1.024 146 L CA -0.367 54.600 54.840 0.212 0.000 0.826 146 L CB 0.993 43.252 42.059 0.333 0.000 1.211 146 L HN 0.768 nan 8.230 nan 0.000 0.422 147 A N 4.408 127.310 122.820 0.137 0.000 2.478 147 A HA 0.281 4.581 4.320 -0.032 0.000 0.327 147 A C -0.257 177.418 177.584 0.152 0.000 1.431 147 A CA -0.509 51.594 52.037 0.110 0.000 1.014 147 A CB -0.204 18.875 19.000 0.131 0.000 1.143 147 A HN 0.838 nan 8.150 nan 0.000 0.532 148 N N 1.716 120.494 118.700 0.130 0.000 2.518 148 N HA 0.354 5.075 4.740 -0.032 0.000 0.283 148 N C -0.583 175.039 175.510 0.187 0.000 1.119 148 N CA 0.022 53.211 53.050 0.232 0.000 0.983 148 N CB 0.736 39.444 38.487 0.369 0.000 1.139 148 N HN 0.454 nan 8.380 nan 0.000 0.465 149 E N 3.288 123.600 120.200 0.187 0.000 2.278 149 E HA 0.134 4.464 4.350 -0.032 0.000 0.272 149 E C -0.611 176.059 176.600 0.117 0.000 0.890 149 E CA -0.542 55.961 56.400 0.172 0.000 0.770 149 E CB 0.836 30.635 29.700 0.166 0.000 1.212 149 E HN 0.628 nan 8.360 nan 0.000 0.415 150 F N 2.987 122.910 119.950 -0.045 0.000 2.146 150 F HA -0.042 4.465 4.527 -0.034 0.000 0.298 150 F C 1.179 176.889 175.800 -0.151 0.000 1.096 150 F CA 1.055 58.937 58.000 -0.195 0.000 1.275 150 F CB 0.247 39.200 39.000 -0.078 0.000 1.008 150 F HN 0.311 nan 8.300 nan 0.000 0.480 151 S N 0.474 116.213 115.700 0.066 0.000 2.489 151 S HA 0.541 4.991 4.470 -0.032 0.000 0.277 151 S C 1.008 175.711 174.600 0.172 0.000 1.230 151 S CA -0.341 57.899 58.200 0.067 0.000 1.053 151 S CB 1.421 64.692 63.200 0.118 0.000 0.955 151 S HN 0.445 nan 8.310 nan 0.000 0.488 152 A N 4.136 127.044 122.820 0.147 0.000 1.902 152 A HA -0.042 4.259 4.320 -0.032 0.000 0.217 152 A C 2.375 179.967 177.584 0.014 0.000 1.181 152 A CA 1.832 53.863 52.037 -0.010 0.000 0.623 152 A CB -1.560 17.303 19.000 -0.227 0.000 0.818 152 A HN 1.264 nan 8.150 nan 0.000 0.443 153 S N -0.200 115.517 115.700 0.027 0.000 2.383 153 S HA -0.216 4.234 4.470 -0.032 0.000 0.229 153 S C 1.879 176.518 174.600 0.065 0.000 1.030 153 S CA 1.532 59.755 58.200 0.037 0.000 1.002 153 S CB -0.336 62.887 63.200 0.039 0.000 0.829 153 S HN 0.588 nan 8.310 nan 0.000 0.467 154 R N 0.358 120.911 120.500 0.088 0.000 2.297 154 R HA 0.265 4.585 4.340 -0.032 0.000 0.197 154 R C 1.668 178.041 176.300 0.121 0.000 0.943 154 R CA 0.178 56.340 56.100 0.105 0.000 1.038 154 R CB -0.141 30.227 30.300 0.113 0.000 0.957 154 R HN 0.314 nan 8.270 nan 0.000 0.484 155 V N 0.567 120.553 119.914 0.119 0.000 2.453 155 V HA -0.180 3.921 4.120 -0.032 0.000 0.247 155 V C 2.081 178.263 176.094 0.146 0.000 1.048 155 V CA 1.617 63.997 62.300 0.134 0.000 1.049 155 V CB -0.200 31.695 31.823 0.121 0.000 0.672 155 V HN 0.222 nan 8.190 nan 0.000 0.457 156 K N 0.615 121.084 120.400 0.116 0.000 2.148 156 K HA -0.101 4.199 4.320 -0.032 0.000 0.204 156 K C 1.776 178.475 176.600 0.165 0.000 1.050 156 K CA 1.567 57.938 56.287 0.140 0.000 0.942 156 K CB -0.513 32.040 32.500 0.088 0.000 0.724 156 K HN 0.283 nan 8.250 nan 0.000 0.446 157 V N 1.205 121.197 119.914 0.131 0.000 2.295 157 V HA -0.220 3.881 4.120 -0.032 0.000 0.246 157 V C 2.337 178.516 176.094 0.141 0.000 1.049 157 V CA 1.898 64.270 62.300 0.121 0.000 1.024 157 V CB -0.554 31.334 31.823 0.110 0.000 0.648 157 V HN 0.364 nan 8.190 nan 0.000 0.447 158 L N -0.335 120.985 121.223 0.162 0.000 2.012 158 L HA -0.270 4.051 4.340 -0.032 0.000 0.210 158 L C 2.738 179.717 176.870 0.181 0.000 1.073 158 L CA 2.238 57.182 54.840 0.173 0.000 0.748 158 L CB -0.619 41.545 42.059 0.175 0.000 0.891 158 L HN 0.521 nan 8.230 nan 0.000 0.431 159 H N -0.394 118.748 119.070 0.121 0.000 2.387 159 H HA -0.163 4.373 4.556 -0.033 0.000 0.299 159 H C 1.966 177.362 175.328 0.114 0.000 1.090 159 H CA 1.408 57.532 56.048 0.126 0.000 1.332 159 H CB 0.226 30.064 29.762 0.128 0.000 1.386 159 H HN 0.493 nan 8.280 nan 0.000 0.516 160 A N 1.561 124.373 122.820 -0.014 0.000 1.883 160 A HA -0.209 4.091 4.320 -0.032 0.000 0.217 160 A C 2.367 179.915 177.584 -0.060 0.000 1.186 160 A CA 1.594 53.593 52.037 -0.063 0.000 0.624 160 A CB -0.562 18.462 19.000 0.040 0.000 0.822 160 A HN 0.529 nan 8.150 nan 0.000 0.444 161 N N -0.230 118.476 118.700 0.009 0.000 2.166 161 N HA -0.085 4.635 4.740 -0.032 0.000 0.186 161 N C 1.753 177.286 175.510 0.039 0.000 1.019 161 N CA 1.459 54.523 53.050 0.023 0.000 0.856 161 N CB -0.291 38.277 38.487 0.136 0.000 0.993 161 N HN 0.561 nan 8.380 nan 0.000 0.426 162 I N 0.459 121.053 120.570 0.039 0.000 2.163 162 I HA -0.245 3.906 4.170 -0.032 0.000 0.240 162 I C 2.585 178.699 176.117 -0.004 0.000 1.081 162 I CA 0.897 62.226 61.300 0.048 0.000 1.353 162 I CB -0.305 37.739 38.000 0.074 0.000 1.054 162 I HN 0.102 nan 8.210 nan 0.000 0.407 163 S N 0.866 116.508 115.700 -0.097 0.000 2.383 163 S HA -0.264 4.186 4.470 -0.032 0.000 0.229 163 S C 2.267 176.865 174.600 -0.004 0.000 1.030 163 S CA 1.414 59.566 58.200 -0.081 0.000 1.002 163 S CB -0.376 62.705 63.200 -0.198 0.000 0.829 163 S HN 0.332 nan 8.310 nan 0.000 0.467 164 R N -0.387 120.109 120.500 -0.006 0.000 2.115 164 R HA -0.016 4.304 4.340 -0.032 0.000 0.230 164 R C 1.756 178.052 176.300 -0.006 0.000 1.111 164 R CA 1.677 57.786 56.100 0.015 0.000 0.976 164 R CB -0.554 29.721 30.300 -0.042 0.000 0.870 164 R HN 0.569 nan 8.270 nan 0.000 0.445 165 C N -0.185 119.112 119.300 -0.006 0.000 2.626 165 C HA 0.307 4.748 4.460 -0.032 0.000 0.266 165 C C 1.248 176.253 174.990 0.025 0.000 1.317 165 C CA 0.208 59.231 59.018 0.009 0.000 1.716 165 C CB -0.495 27.271 27.740 0.044 0.000 1.819 165 C HN 0.762 nan 8.230 nan 0.000 0.578 166 G N 1.496 110.309 108.800 0.022 0.000 2.221 166 G HA2 -0.267 3.673 3.960 -0.032 0.000 0.265 166 G HA3 -0.267 3.673 3.960 -0.032 0.000 0.265 166 G C -0.170 174.755 174.900 0.041 0.000 1.041 166 G CA -0.150 44.963 45.100 0.023 0.000 0.807 166 G HN 0.598 nan 8.290 nan 0.000 0.502 167 I N 1.141 121.742 120.570 0.053 0.000 2.371 167 I HA 0.390 4.541 4.170 -0.032 0.000 0.290 167 I C 1.402 177.573 176.117 0.090 0.000 1.028 167 I CA 0.536 61.878 61.300 0.070 0.000 1.345 167 I CB 1.621 39.666 38.000 0.076 0.000 1.407 167 I HN 0.283 nan 8.210 nan 0.000 0.501 168 S N 3.195 118.954 115.700 0.099 0.000 2.701 168 S HA 0.047 4.498 4.470 -0.032 0.000 0.242 168 S C 0.683 175.361 174.600 0.131 0.000 1.025 168 S CA -0.410 57.865 58.200 0.124 0.000 1.016 168 S CB -0.137 63.137 63.200 0.124 0.000 0.977 168 S HN 0.755 nan 8.310 nan 0.000 0.546 169 N N 1.508 120.276 118.700 0.113 0.000 2.380 169 N HA 0.166 4.886 4.740 -0.032 0.000 0.255 169 N C -0.633 174.940 175.510 0.104 0.000 1.158 169 N CA -0.206 52.907 53.050 0.106 0.000 0.878 169 N CB 0.504 39.048 38.487 0.096 0.000 1.138 169 N HN 0.254 nan 8.380 nan 0.000 0.509 170 V N 0.324 120.309 119.914 0.118 0.000 2.555 170 V HA 0.824 4.925 4.120 -0.032 0.000 0.302 170 V C -0.043 176.116 176.094 0.109 0.000 1.038 170 V CA -1.029 61.344 62.300 0.122 0.000 0.887 170 V CB 1.327 33.234 31.823 0.140 0.000 0.991 170 V HN 0.438 nan 8.190 nan 0.000 0.434 171 A N 4.769 127.650 122.820 0.102 0.000 2.380 171 A HA 0.958 5.259 4.320 -0.032 0.000 0.315 171 A C -1.163 176.573 177.584 0.254 0.000 1.101 171 A CA -0.641 51.449 52.037 0.089 0.000 0.771 171 A CB 1.267 20.178 19.000 -0.147 0.000 1.287 171 A HN 0.758 nan 8.150 nan 0.000 0.436 172 L N 1.531 122.934 121.223 0.300 0.000 2.322 172 L HA 0.653 4.974 4.340 -0.032 0.000 0.281 172 L C 0.429 177.494 176.870 0.325 0.000 1.014 172 L CA -0.354 54.658 54.840 0.287 0.000 0.815 172 L CB 2.268 44.462 42.059 0.225 0.000 1.247 172 L HN 0.917 nan 8.230 nan 0.000 0.421 173 T N -2.543 112.166 114.554 0.258 0.000 2.930 173 T HA 0.419 4.749 4.350 -0.032 0.000 0.290 173 T C -0.768 173.968 174.700 0.060 0.000 1.052 173 T CA -0.669 61.507 62.100 0.127 0.000 1.017 173 T CB 1.888 70.923 68.868 0.277 0.000 1.137 173 T HN 0.626 nan 8.240 nan 0.000 0.511 174 H N 1.034 119.861 119.070 -0.404 0.000 2.854 174 H HA 0.510 5.046 4.556 -0.033 0.000 0.275 174 H C -2.062 172.875 175.328 -0.652 0.000 1.198 174 H CA -0.800 55.037 56.048 -0.351 0.000 1.489 174 H CB -0.141 29.456 29.762 -0.274 0.000 1.519 174 H HN 0.596 nan 8.280 nan 0.000 0.503 175 F N 1.091 120.975 119.950 -0.111 0.000 2.650 175 F HA 0.104 4.614 4.527 -0.028 0.000 0.320 175 F C 0.751 176.582 175.800 0.052 0.000 1.091 175 F CA -1.113 56.817 58.000 -0.118 0.000 0.962 175 F CB 1.379 40.238 39.000 -0.235 0.000 1.363 175 F HN 0.361 nan 8.300 nan 0.000 0.482 176 D N 0.436 121.051 120.400 0.359 0.000 3.008 176 D HA 0.235 4.856 4.640 -0.032 0.000 0.242 176 D C 1.487 177.872 176.300 0.141 0.000 1.222 176 D CA 0.870 55.077 54.000 0.345 0.000 0.883 176 D CB -0.398 40.567 40.800 0.275 0.000 1.110 176 D HN 0.743 nan 8.370 nan 0.000 0.455 177 G N 1.575 110.518 108.800 0.239 0.000 3.306 177 G HA2 -0.522 3.419 3.960 -0.032 0.000 0.227 177 G HA3 -0.522 3.419 3.960 -0.032 0.000 0.227 177 G C 1.619 176.666 174.900 0.245 0.000 1.373 177 G CA 0.865 46.167 45.100 0.338 0.000 1.260 177 G HN 0.525 nan 8.290 nan 0.000 0.633 178 R N 0.218 120.762 120.500 0.073 0.000 2.235 178 R HA 0.232 4.552 4.340 -0.032 0.000 0.213 178 R C 2.577 178.860 176.300 -0.027 0.000 1.059 178 R CA 0.906 57.029 56.100 0.038 0.000 0.997 178 R CB -0.164 30.132 30.300 -0.007 0.000 0.884 178 R HN 0.441 nan 8.270 nan 0.000 0.462 179 V N 0.473 120.289 119.914 -0.163 0.000 2.427 179 V HA -0.229 3.871 4.120 -0.032 0.000 0.248 179 V C 1.745 177.675 176.094 -0.274 0.000 1.051 179 V CA 1.680 63.793 62.300 -0.312 0.000 1.048 179 V CB -0.535 30.956 31.823 -0.553 0.000 0.666 179 V HN 0.179 nan 8.190 nan 0.000 0.456 180 F N 1.485 121.404 119.950 -0.052 0.000 2.065 180 F HA -0.177 4.327 4.527 -0.038 0.000 0.298 180 F C 2.561 178.377 175.800 0.028 0.000 1.112 180 F CA 1.802 59.798 58.000 -0.007 0.000 1.212 180 F CB -1.295 37.737 39.000 0.053 0.000 0.975 180 F HN 0.241 nan 8.300 nan 0.000 0.476 181 G N -0.665 108.277 108.800 0.237 0.000 2.507 181 G HA2 -0.246 3.694 3.960 -0.032 0.000 0.221 181 G HA3 -0.246 3.694 3.960 -0.032 0.000 0.221 181 G C 1.687 176.626 174.900 0.064 0.000 1.119 181 G CA 1.095 46.304 45.100 0.182 0.000 0.751 181 G HN 0.511 nan 8.290 nan 0.000 0.574 182 A N 0.157 122.970 122.820 -0.013 0.000 2.014 182 A HA 0.659 4.960 4.320 -0.032 0.000 0.210 182 A C 2.652 180.214 177.584 -0.037 0.000 1.188 182 A CA 1.355 53.361 52.037 -0.051 0.000 0.731 182 A CB -0.381 18.568 19.000 -0.086 0.000 0.858 182 A HN 0.653 nan 8.150 nan 0.000 0.464 183 A N -0.932 121.853 122.820 -0.058 0.000 1.933 183 A HA 0.169 4.470 4.320 -0.032 0.000 0.218 183 A C 1.238 178.806 177.584 -0.027 0.000 1.175 183 A CA 1.910 53.894 52.037 -0.089 0.000 0.628 183 A CB -0.334 18.539 19.000 -0.212 0.000 0.814 183 A HN 1.011 nan 8.150 nan 0.000 0.444 184 V N 0.626 120.567 119.914 0.045 0.000 2.703 184 V HA 0.204 4.304 4.120 -0.032 0.000 0.290 184 V C -2.231 173.895 176.094 0.055 0.000 1.035 184 V CA -1.555 60.775 62.300 0.050 0.000 1.185 184 V CB 0.850 32.735 31.823 0.104 0.000 1.178 184 V HN 0.215 nan 8.190 nan 0.000 0.562 185 P HA -0.234 nan 4.420 nan 0.000 0.238 185 P C 0.416 177.716 177.300 0.000 0.000 0.911 185 P CA 1.404 64.522 63.100 0.031 0.000 1.085 185 P CB 0.174 31.874 31.700 0.000 0.000 0.698 189 D N 0.496 120.977 120.400 0.136 0.000 2.360 189 D HA 0.498 5.118 4.640 -0.032 0.000 0.210 189 D C 0.135 176.451 176.300 0.026 0.000 1.047 189 D CA 0.457 54.486 54.000 0.049 0.000 0.854 189 D CB 0.644 41.455 40.800 0.019 0.000 0.936 189 D HN 0.633 nan 8.370 nan 0.000 0.514 190 A N -0.103 122.744 122.820 0.046 0.000 2.574 190 A HA 0.688 4.988 4.320 -0.032 0.000 0.297 190 A C -1.452 176.086 177.584 -0.077 0.000 1.062 190 A CA -0.799 51.211 52.037 -0.045 0.000 0.686 190 A CB 1.292 20.197 19.000 -0.160 0.000 1.285 190 A HN 0.124 nan 8.150 nan 0.000 0.403 191 I N 1.252 121.760 120.570 -0.103 0.000 2.619 191 I HA 0.401 4.552 4.170 -0.032 0.000 0.292 191 I C -1.036 175.018 176.117 -0.105 0.000 1.100 191 I CA -0.458 60.740 61.300 -0.170 0.000 1.043 191 I CB 2.238 40.136 38.000 -0.171 0.000 1.239 191 I HN 0.593 nan 8.210 nan 0.000 0.420 192 L N 6.733 127.886 121.223 -0.116 0.000 2.301 192 L HA 0.470 4.791 4.340 -0.032 0.000 0.278 192 L C -1.079 175.767 176.870 -0.040 0.000 1.022 192 L CA -0.670 54.137 54.840 -0.055 0.000 0.854 192 L CB 1.045 43.080 42.059 -0.039 0.000 1.226 192 L HN 0.491 nan 8.230 nan 0.000 0.429 193 L N 4.527 125.757 121.223 0.012 0.000 2.288 193 L HA 0.372 4.693 4.340 -0.032 0.000 0.283 193 L C -0.540 176.321 176.870 -0.014 0.000 1.072 193 L CA -0.058 54.807 54.840 0.042 0.000 0.862 193 L CB 0.774 42.930 42.059 0.161 0.000 1.245 193 L HN 0.445 nan 8.230 nan 0.000 0.432 194 D N 4.608 124.978 120.400 -0.051 0.000 2.479 194 D HA 0.412 5.032 4.640 -0.032 0.000 0.218 194 D C -0.151 176.076 176.300 -0.121 0.000 1.131 194 D CA -0.155 53.771 54.000 -0.123 0.000 0.916 194 D CB 1.067 41.842 40.800 -0.042 0.000 1.022 194 D HN 0.614 nan 8.370 nan 0.000 0.515 195 A N 4.537 127.237 122.820 -0.200 0.000 2.409 195 A HA 0.451 4.751 4.320 -0.032 0.000 0.262 195 A C -2.102 175.414 177.584 -0.113 0.000 1.113 195 A CA -1.189 50.787 52.037 -0.102 0.000 0.790 195 A CB 0.062 19.064 19.000 0.003 0.000 1.046 195 A HN 0.464 nan 8.150 nan 0.000 0.496 196 P HA 0.109 nan 4.420 nan 0.000 0.260 196 P C 0.104 177.352 177.300 -0.087 0.000 1.172 196 P CA 0.341 63.397 63.100 -0.074 0.000 0.760 196 P CB -0.019 31.630 31.700 -0.085 0.000 0.773 197 C N 0.739 119.989 119.300 -0.083 0.000 3.295 197 C HA 0.577 5.018 4.460 -0.032 0.000 0.370 197 C C 1.577 176.528 174.990 -0.064 0.000 1.974 197 C CA 0.141 59.104 59.018 -0.091 0.000 1.282 197 C CB 1.152 28.818 27.740 -0.123 0.000 2.380 197 C HN 0.461 nan 8.230 nan 0.000 0.443 198 S N -0.246 115.424 115.700 -0.049 0.000 2.593 198 S HA 0.394 4.844 4.470 -0.032 0.000 0.217 198 S C 1.444 176.089 174.600 0.076 0.000 0.966 198 S CA 0.924 59.116 58.200 -0.014 0.000 0.914 198 S CB -0.777 62.384 63.200 -0.064 0.000 0.776 198 S HN 2.769 nan 8.310 nan 0.000 0.523 199 G N 2.027 110.859 108.800 0.052 0.000 2.321 199 G HA2 -0.324 3.616 3.960 -0.032 0.000 0.287 199 G HA3 -0.324 3.616 3.960 -0.032 0.000 0.287 199 G C 0.494 175.456 174.900 0.103 0.000 1.018 199 G CA 0.676 45.820 45.100 0.073 0.000 0.855 199 G HN 0.665 nan 8.290 nan 0.000 0.507 200 E N -0.638 119.643 120.200 0.135 0.000 2.204 200 E HA 0.011 4.342 4.350 -0.032 0.000 0.194 200 E C 2.616 179.325 176.600 0.182 0.000 0.989 200 E CA 0.660 57.132 56.400 0.120 0.000 0.824 200 E CB -0.166 29.676 29.700 0.237 0.000 0.756 200 E HN 0.518 nan 8.360 nan 0.000 0.477 201 G N 0.897 109.816 108.800 0.198 0.000 2.598 201 G HA2 -0.123 3.818 3.960 -0.032 0.000 0.215 201 G HA3 -0.123 3.818 3.960 -0.032 0.000 0.215 201 G C 1.501 176.515 174.900 0.190 0.000 1.131 201 G CA 0.074 45.312 45.100 0.231 0.000 0.785 201 G HN 0.114 nan 8.290 nan 0.000 0.539 202 V N 1.375 121.379 119.914 0.148 0.000 3.623 202 V HA -0.063 4.038 4.120 -0.032 0.000 0.271 202 V C 2.720 178.872 176.094 0.098 0.000 1.248 202 V CA 1.019 63.394 62.300 0.126 0.000 1.156 202 V CB 0.433 32.322 31.823 0.110 0.000 0.870 202 V HN 0.372 nan 8.190 nan 0.000 0.453 203 V N -1.134 118.832 119.914 0.086 0.000 2.867 203 V HA -0.180 3.921 4.120 -0.032 0.000 0.260 203 V C 2.299 178.424 176.094 0.052 0.000 1.099 203 V CA 1.482 63.826 62.300 0.074 0.000 1.122 203 V CB -1.051 30.816 31.823 0.074 0.000 0.708 203 V HN 0.510 nan 8.190 nan 0.000 0.490 204 R N 0.816 121.342 120.500 0.044 0.000 2.115 204 R HA -0.038 4.282 4.340 -0.032 0.000 0.226 204 R C 2.421 178.749 176.300 0.047 0.000 1.100 204 R CA 1.541 57.659 56.100 0.029 0.000 0.980 204 R CB -0.333 29.987 30.300 0.034 0.000 0.875 204 R HN 0.561 nan 8.270 nan 0.000 0.445 205 K N 0.588 121.029 120.400 0.067 0.000 2.116 205 K HA -0.090 4.211 4.320 -0.032 0.000 0.203 205 K C -0.087 176.549 176.600 0.060 0.000 1.052 205 K CA 1.004 57.331 56.287 0.067 0.000 0.952 205 K CB 0.322 32.870 32.500 0.080 0.000 0.729 205 K HN -0.089 nan 8.250 nan 0.000 0.446 206 D N -0.244 120.195 120.400 0.066 0.000 2.542 206 D HA 0.159 4.779 4.640 -0.032 0.000 0.252 206 D C -2.209 174.140 176.300 0.082 0.000 1.222 206 D CA -2.428 51.611 54.000 0.065 0.000 0.895 206 D CB 1.945 42.782 40.800 0.061 0.000 1.207 206 D HN -0.092 nan 8.370 nan 0.000 0.558 207 P HA 0.050 nan 4.420 nan 0.000 0.234 207 P C -0.018 177.374 177.300 0.152 0.000 1.167 207 P CA 0.618 63.808 63.100 0.150 0.000 0.763 207 P CB 0.579 32.355 31.700 0.126 0.000 0.835 208 D N -1.725 118.715 120.400 0.067 0.000 2.620 208 D HA 0.283 4.903 4.640 -0.032 0.000 0.260 208 D C 1.589 177.899 176.300 0.016 0.000 1.367 208 D CA -0.222 53.780 54.000 0.004 0.000 0.805 208 D CB 0.283 41.053 40.800 -0.049 0.000 1.096 208 D HN -0.122 nan 8.370 nan 0.000 0.488 209 A N 0.638 123.487 122.820 0.049 0.000 1.881 209 A HA -0.266 4.034 4.320 -0.032 0.000 0.219 209 A C 1.973 179.585 177.584 0.047 0.000 1.215 209 A CA 2.017 54.084 52.037 0.051 0.000 0.648 209 A CB -0.604 18.435 19.000 0.065 0.000 0.832 209 A HN 0.346 nan 8.150 nan 0.000 0.455 210 L N -2.384 118.863 121.223 0.040 0.000 2.109 210 L HA 0.055 4.375 4.340 -0.032 0.000 0.207 210 L C 1.801 178.723 176.870 0.086 0.000 1.086 210 L CA 1.987 56.875 54.840 0.079 0.000 0.760 210 L CB -1.321 40.740 42.059 0.003 0.000 0.910 210 L HN 0.245 nan 8.230 nan 0.000 0.437 211 K N 0.516 120.924 120.400 0.013 0.000 2.347 211 K HA -0.310 3.991 4.320 -0.032 0.000 0.205 211 K C 1.188 177.824 176.600 0.060 0.000 1.033 211 K CA 1.946 58.234 56.287 0.002 0.000 0.934 211 K CB -0.701 31.763 32.500 -0.059 0.000 0.756 211 K HN 0.566 nan 8.250 nan 0.000 0.495 212 N N -0.167 118.575 118.700 0.071 0.000 2.484 212 N HA -0.038 4.682 4.740 -0.032 0.000 0.245 212 N C -0.923 174.645 175.510 0.096 0.000 1.184 212 N CA -0.226 52.864 53.050 0.067 0.000 0.884 212 N CB 0.066 38.569 38.487 0.027 0.000 1.182 212 N HN 0.181 nan 8.380 nan 0.000 0.493 213 W N 1.254 122.526 121.300 -0.046 0.000 2.287 213 W HA 0.208 4.848 4.660 -0.032 0.000 0.313 213 W C -0.051 176.463 176.519 -0.009 0.000 1.267 213 W CA 0.207 57.526 57.345 -0.044 0.000 1.201 213 W CB 0.747 30.155 29.460 -0.086 0.000 1.196 213 W HN -0.144 nan 8.180 nan 0.000 0.536 214 S N 6.463 121.938 115.700 -0.374 0.000 2.592 214 S HA 0.285 4.735 4.470 -0.032 0.000 0.275 214 S C -1.971 172.307 174.600 -0.536 0.000 1.169 214 S CA -1.193 56.849 58.200 -0.263 0.000 0.958 214 S CB 1.554 64.689 63.200 -0.109 0.000 1.095 214 S HN 0.283 nan 8.310 nan 0.000 0.471 215 P HA -0.112 nan 4.420 nan 0.000 0.218 215 P C 1.070 178.238 177.300 -0.220 0.000 1.146 215 P CA 1.100 64.011 63.100 -0.316 0.000 0.813 215 P CB 0.214 31.871 31.700 -0.072 0.000 0.778 216 E N -0.684 119.419 120.200 -0.162 0.000 2.028 216 E HA -0.109 4.221 4.350 -0.032 0.000 0.190 216 E C 2.102 178.607 176.600 -0.158 0.000 0.984 216 E CA 1.264 57.588 56.400 -0.126 0.000 0.800 216 E CB -1.340 28.312 29.700 -0.081 0.000 0.758 216 E HN 0.197 nan 8.360 nan 0.000 0.448 217 S N 0.746 116.335 115.700 -0.186 0.000 2.500 217 S HA -0.130 4.321 4.470 -0.032 0.000 0.239 217 S C 1.533 175.988 174.600 -0.241 0.000 0.989 217 S CA 1.201 59.286 58.200 -0.191 0.000 0.951 217 S CB -0.126 62.965 63.200 -0.181 0.000 0.759 217 S HN 0.126 nan 8.310 nan 0.000 0.523 218 N N 0.847 119.362 118.700 -0.308 0.000 2.251 218 N HA 0.103 4.823 4.740 -0.032 0.000 0.181 218 N C 1.959 177.346 175.510 -0.205 0.000 1.019 218 N CA 0.946 53.815 53.050 -0.301 0.000 0.862 218 N CB -0.207 38.041 38.487 -0.399 0.000 0.992 218 N HN 0.458 nan 8.380 nan 0.000 0.429 219 Q N 0.234 119.929 119.800 -0.175 0.000 2.135 219 Q HA -0.204 4.116 4.340 -0.032 0.000 0.204 219 Q C 1.500 177.413 176.000 -0.145 0.000 0.981 219 Q CA 1.282 56.999 55.803 -0.142 0.000 0.856 219 Q CB -0.045 28.625 28.738 -0.114 0.000 0.902 219 Q HN 0.373 nan 8.270 nan 0.000 0.425 220 E N 0.748 120.863 120.200 -0.141 0.000 2.031 220 E HA -0.142 4.189 4.350 -0.032 0.000 0.193 220 E C 1.783 178.299 176.600 -0.141 0.000 0.994 220 E CA 0.935 57.257 56.400 -0.131 0.000 0.800 220 E CB -0.113 29.515 29.700 -0.119 0.000 0.752 220 E HN 0.269 nan 8.360 nan 0.000 0.447 221 I N 0.360 120.841 120.570 -0.148 0.000 2.194 221 I HA -0.346 3.805 4.170 -0.032 0.000 0.246 221 I C 2.266 178.295 176.117 -0.146 0.000 1.093 221 I CA 1.231 62.444 61.300 -0.143 0.000 1.355 221 I CB -0.305 37.604 38.000 -0.150 0.000 1.046 221 I HN 0.184 nan 8.210 nan 0.000 0.413 222 A N 0.451 123.175 122.820 -0.160 0.000 1.930 222 A HA -0.116 4.185 4.320 -0.032 0.000 0.217 222 A C 2.543 179.989 177.584 -0.231 0.000 1.175 222 A CA 1.595 53.525 52.037 -0.179 0.000 0.627 222 A CB -0.747 18.146 19.000 -0.178 0.000 0.815 222 A HN 0.436 nan 8.150 nan 0.000 0.443 223 A N -0.458 122.232 122.820 -0.217 0.000 1.883 223 A HA -0.153 4.148 4.320 -0.032 0.000 0.217 223 A C 2.326 179.773 177.584 -0.228 0.000 1.186 223 A CA 2.508 54.402 52.037 -0.239 0.000 0.624 223 A CB -1.446 17.447 19.000 -0.179 0.000 0.822 223 A HN 0.457 nan 8.150 nan 0.000 0.444 224 T N 0.231 114.681 114.554 -0.175 0.000 2.746 224 T HA -0.203 4.127 4.350 -0.032 0.000 0.267 224 T C 2.008 176.624 174.700 -0.140 0.000 1.039 224 T CA 1.732 63.743 62.100 -0.148 0.000 1.142 224 T CB -0.362 68.423 68.868 -0.137 0.000 0.866 224 T HN 0.650 nan 8.240 nan 0.000 0.444 225 Q N 0.507 120.223 119.800 -0.140 0.000 2.124 225 Q HA -0.049 4.272 4.340 -0.032 0.000 0.202 225 Q C 2.627 178.515 176.000 -0.187 0.000 0.977 225 Q CA 1.038 56.786 55.803 -0.092 0.000 0.850 225 Q CB -0.175 28.542 28.738 -0.035 0.000 0.901 225 Q HN 0.465 nan 8.270 nan 0.000 0.429 226 R N 0.832 121.120 120.500 -0.353 0.000 2.082 226 R HA -0.149 4.172 4.340 -0.032 0.000 0.234 226 R C 2.183 178.304 176.300 -0.298 0.000 1.136 226 R CA 1.600 57.345 56.100 -0.591 0.000 0.935 226 R CB -0.121 29.472 30.300 -1.179 0.000 0.842 226 R HN 0.349 nan 8.270 nan 0.000 0.430 227 E N 0.623 120.696 120.200 -0.211 0.000 2.118 227 E HA -0.234 4.096 4.350 -0.032 0.000 0.195 227 E C 2.163 178.782 176.600 0.031 0.000 0.992 227 E CA 1.104 57.475 56.400 -0.048 0.000 0.804 227 E CB -0.214 29.447 29.700 -0.065 0.000 0.741 227 E HN 0.353 nan 8.360 nan 0.000 0.458 228 L N 0.599 121.823 121.223 0.002 0.000 2.017 228 L HA -0.163 4.157 4.340 -0.032 0.000 0.208 228 L C 2.656 179.592 176.870 0.110 0.000 1.073 228 L CA 0.875 55.749 54.840 0.057 0.000 0.745 228 L CB -0.245 41.840 42.059 0.043 0.000 0.894 228 L HN 0.125 nan 8.230 nan 0.000 0.432 229 I N -0.532 120.087 120.570 0.081 0.000 2.315 229 I HA -0.290 3.860 4.170 -0.032 0.000 0.248 229 I C 2.217 178.483 176.117 0.247 0.000 1.117 229 I CA 1.313 62.675 61.300 0.104 0.000 1.404 229 I CB -0.081 37.868 38.000 -0.086 0.000 1.071 229 I HN 0.292 nan 8.210 nan 0.000 0.419 230 D N -0.049 120.556 120.400 0.342 0.000 2.087 230 D HA -0.230 4.391 4.640 -0.032 0.000 0.192 230 D C 2.300 178.867 176.300 0.445 0.000 0.993 230 D CA 1.711 56.007 54.000 0.494 0.000 0.828 230 D CB -0.171 40.962 40.800 0.554 0.000 0.968 230 D HN 0.340 nan 8.370 nan 0.000 0.448 231 S N -0.225 115.652 115.700 0.296 0.000 2.369 231 S HA -0.280 4.170 4.470 -0.032 0.000 0.225 231 S C 2.144 176.909 174.600 0.275 0.000 1.043 231 S CA 2.637 60.988 58.200 0.251 0.000 1.074 231 S CB -0.691 62.626 63.200 0.196 0.000 0.962 231 S HN 0.357 nan 8.310 nan 0.000 0.433 232 A N 0.356 123.314 122.820 0.229 0.000 1.927 232 A HA -0.115 4.185 4.320 -0.032 0.000 0.220 232 A C 2.064 179.770 177.584 0.203 0.000 1.185 232 A CA 2.047 54.185 52.037 0.169 0.000 0.639 232 A CB -1.187 17.893 19.000 0.133 0.000 0.820 232 A HN 0.696 nan 8.150 nan 0.000 0.451 233 F N -0.163 119.829 119.950 0.071 0.000 2.259 233 F HA -0.096 4.423 4.527 -0.014 0.000 0.298 233 F C 2.363 178.101 175.800 -0.103 0.000 1.088 233 F CA 1.631 59.608 58.000 -0.039 0.000 1.358 233 F CB -0.349 38.590 39.000 -0.101 0.000 1.040 233 F HN 0.392 nan 8.300 nan 0.000 0.505 234 H N -1.001 118.068 119.070 -0.002 0.000 2.428 234 H HA 0.080 4.612 4.556 -0.039 0.000 0.296 234 H C 2.104 177.392 175.328 -0.066 0.000 1.062 234 H CA 1.173 57.166 56.048 -0.092 0.000 1.350 234 H CB -0.120 29.655 29.762 0.022 0.000 1.403 234 H HN 0.309 nan 8.280 nan 0.000 0.533 235 A N 0.957 123.865 122.820 0.147 0.000 2.238 235 A HA 0.066 4.367 4.320 -0.032 0.000 0.208 235 A C 0.897 178.592 177.584 0.185 0.000 1.177 235 A CA -0.122 52.037 52.037 0.203 0.000 0.804 235 A CB -0.237 18.962 19.000 0.331 0.000 0.823 235 A HN 0.179 nan 8.150 nan 0.000 0.482 236 L N 0.899 122.125 121.223 0.004 0.000 2.275 236 L HA 0.446 4.766 4.340 -0.032 0.000 0.288 236 L C 0.568 177.347 176.870 -0.151 0.000 1.046 236 L CA -0.760 54.059 54.840 -0.035 0.000 0.805 236 L CB 0.717 42.733 42.059 -0.071 0.000 1.193 236 L HN 0.421 nan 8.230 nan 0.000 0.426 237 R N 5.365 125.817 120.500 -0.081 0.000 2.694 237 R HA 0.376 4.697 4.340 -0.032 0.000 0.268 237 R C -2.358 173.857 176.300 -0.141 0.000 1.061 237 R CA -1.175 54.857 56.100 -0.113 0.000 1.133 237 R CB -0.278 29.977 30.300 -0.075 0.000 1.020 237 R HN 0.462 nan 8.270 nan 0.000 0.475 238 P HA -0.006 nan 4.420 nan 0.000 0.266 238 P C 0.480 177.732 177.300 -0.080 0.000 1.193 238 P CA 1.290 64.311 63.100 -0.131 0.000 0.770 238 P CB 0.747 32.382 31.700 -0.109 0.000 0.836 239 G N 1.124 109.889 108.800 -0.058 0.000 2.336 239 G HA2 -0.171 3.770 3.960 -0.032 0.000 0.233 239 G HA3 -0.171 3.770 3.960 -0.032 0.000 0.233 239 G C 0.640 175.528 174.900 -0.020 0.000 1.053 239 G CA -0.057 45.025 45.100 -0.031 0.000 0.625 239 G HN 0.899 nan 8.290 nan 0.000 0.511 240 G N -0.260 108.522 108.800 -0.031 0.000 2.572 240 G HA2 0.540 4.480 3.960 -0.032 0.000 0.261 240 G HA3 0.540 4.480 3.960 -0.032 0.000 0.261 240 G C -0.152 174.752 174.900 0.006 0.000 1.197 240 G CA 0.850 45.940 45.100 -0.016 0.000 0.870 240 G HN 0.530 nan 8.290 nan 0.000 0.548 241 T N 0.186 114.740 114.554 -0.001 0.000 2.895 241 T HA 0.465 4.796 4.350 -0.032 0.000 0.283 241 T C -0.847 173.869 174.700 0.026 0.000 1.014 241 T CA -0.205 61.906 62.100 0.018 0.000 1.037 241 T CB 1.398 70.254 68.868 -0.022 0.000 1.006 241 T HN 0.375 nan 8.240 nan 0.000 0.468 242 L N 4.263 125.533 121.223 0.078 0.000 2.381 242 L HA 0.706 5.026 4.340 -0.032 0.000 0.274 242 L C -1.209 175.714 176.870 0.088 0.000 0.988 242 L CA -0.701 54.192 54.840 0.088 0.000 0.824 242 L CB 1.544 43.706 42.059 0.172 0.000 1.263 242 L HN 0.398 nan 8.230 nan 0.000 0.410 243 V N 5.905 125.850 119.914 0.052 0.000 2.370 243 V HA 0.336 4.437 4.120 -0.032 0.000 0.279 243 V C -0.892 175.262 176.094 0.100 0.000 1.029 243 V CA -0.472 61.862 62.300 0.057 0.000 0.870 243 V CB 1.107 32.936 31.823 0.009 0.000 0.984 243 V HN 0.735 nan 8.190 nan 0.000 0.451 244 Y N 4.886 125.159 120.300 -0.045 0.000 2.331 244 Y HA 0.657 5.187 4.550 -0.033 0.000 0.338 244 Y C 0.323 176.174 175.900 -0.081 0.000 0.992 244 Y CA -0.156 57.911 58.100 -0.054 0.000 1.121 244 Y CB 1.488 39.917 38.460 -0.051 0.000 1.184 244 Y HN 0.741 nan 8.280 nan 0.000 0.469 245 S N 3.239 118.550 115.700 -0.649 0.000 2.564 245 S HA 0.847 5.297 4.470 -0.032 0.000 0.274 245 S C -0.798 173.340 174.600 -0.771 0.000 1.124 245 S CA -0.523 57.325 58.200 -0.588 0.000 0.869 245 S CB 1.861 64.876 63.200 -0.309 0.000 1.105 245 S HN 0.804 nan 8.310 nan 0.000 0.472 246 T N -2.362 111.747 114.554 -0.741 0.000 2.865 246 T HA 0.521 4.851 4.350 -0.032 0.000 0.294 246 T C -0.102 174.095 174.700 -0.839 0.000 1.119 246 T CA -0.753 60.950 62.100 -0.661 0.000 1.007 246 T CB 1.036 69.626 68.868 -0.462 0.000 1.225 246 T HN 0.694 nan 8.240 nan 0.000 0.515 247 C N 1.496 120.503 119.300 -0.488 0.000 2.525 247 C HA 0.538 4.978 4.460 -0.032 0.000 0.313 247 C C 1.199 176.157 174.990 -0.054 0.000 1.311 247 C CA -0.084 58.795 59.018 -0.231 0.000 1.725 247 C CB -1.875 25.866 27.740 0.001 0.000 1.926 247 C HN 0.987 nan 8.230 nan 0.000 0.595 248 T N -0.992 113.504 114.554 -0.097 0.000 2.949 248 T HA 0.620 4.951 4.350 -0.032 0.000 0.287 248 T C 0.410 175.139 174.700 0.049 0.000 1.034 248 T CA -0.352 61.766 62.100 0.029 0.000 1.018 248 T CB 0.996 69.873 68.868 0.016 0.000 1.135 248 T HN 0.227 nan 8.240 nan 0.000 0.532 249 L N 1.887 123.214 121.223 0.173 0.000 2.781 249 L HA 0.356 4.676 4.340 -0.032 0.000 0.245 249 L C 1.418 178.433 176.870 0.242 0.000 1.118 249 L CA -0.435 54.508 54.840 0.172 0.000 0.918 249 L CB -0.009 42.177 42.059 0.212 0.000 1.246 249 L HN 0.672 nan 8.230 nan 0.000 0.526 250 N N -0.319 118.515 118.700 0.224 0.000 2.347 250 N HA 0.023 4.744 4.740 -0.032 0.000 0.253 250 N C 0.055 175.602 175.510 0.062 0.000 1.274 250 N CA -0.399 52.767 53.050 0.193 0.000 0.941 250 N CB 0.780 39.418 38.487 0.251 0.000 1.200 250 N HN 0.065 nan 8.380 nan 0.000 0.514 251 Q N 0.075 119.910 119.800 0.059 0.000 2.204 251 Q HA -0.019 4.302 4.340 -0.032 0.000 0.198 251 Q C 1.486 177.433 176.000 -0.087 0.000 0.946 251 Q CA 0.835 56.631 55.803 -0.012 0.000 0.859 251 Q CB -0.109 28.661 28.738 0.053 0.000 0.946 251 Q HN 0.691 nan 8.270 nan 0.000 0.474 252 E N 1.340 121.511 120.200 -0.050 0.000 2.097 252 E HA -0.195 4.136 4.350 -0.032 0.000 0.196 252 E C 1.250 177.776 176.600 -0.123 0.000 1.000 252 E CA 1.106 57.462 56.400 -0.073 0.000 0.804 252 E CB 0.156 29.819 29.700 -0.062 0.000 0.740 252 E HN 0.428 nan 8.360 nan 0.000 0.454 253 E N -0.728 119.383 120.200 -0.149 0.000 2.474 253 E HA 0.047 4.377 4.350 -0.032 0.000 0.195 253 E C 0.724 177.201 176.600 -0.204 0.000 1.039 253 E CA -0.043 56.264 56.400 -0.154 0.000 0.881 253 E CB 0.355 29.972 29.700 -0.138 0.000 0.970 253 E HN 0.221 nan 8.360 nan 0.000 0.486 254 N N -0.042 118.407 118.700 -0.418 0.000 3.189 254 N HA -0.003 4.718 4.740 -0.032 0.000 0.204 254 N C 1.156 176.282 175.510 -0.640 0.000 1.231 254 N CA -0.274 52.203 53.050 -0.954 0.000 1.130 254 N CB 0.178 37.461 38.487 -2.007 0.000 1.393 254 N HN -0.181 nan 8.380 nan 0.000 0.540 255 E N 1.362 121.221 120.200 -0.569 0.000 2.049 255 E HA -0.130 4.200 4.350 -0.032 0.000 0.198 255 E C 1.782 178.364 176.600 -0.029 0.000 1.007 255 E CA 1.599 57.935 56.400 -0.107 0.000 0.809 255 E CB -0.314 29.409 29.700 0.039 0.000 0.749 255 E HN 0.432 nan 8.360 nan 0.000 0.450 256 A N 0.076 122.866 122.820 -0.051 0.000 2.076 256 A HA -0.157 4.144 4.320 -0.032 0.000 0.220 256 A C 2.368 179.963 177.584 0.019 0.000 1.160 256 A CA 1.362 53.403 52.037 0.006 0.000 0.653 256 A CB -0.394 18.592 19.000 -0.023 0.000 0.801 256 A HN 0.169 nan 8.150 nan 0.000 0.455 257 V N -1.585 118.285 119.914 -0.073 0.000 2.446 257 V HA -0.201 3.900 4.120 -0.032 0.000 0.244 257 V C 2.549 178.620 176.094 -0.037 0.000 1.039 257 V CA 1.715 63.945 62.300 -0.117 0.000 1.045 257 V CB -0.613 31.047 31.823 -0.273 0.000 0.681 257 V HN 0.701 nan 8.190 nan 0.000 0.459 258 C N -0.112 119.125 119.300 -0.106 0.000 2.429 258 C HA -0.110 4.330 4.460 -0.032 0.000 0.277 258 C C 2.636 177.798 174.990 0.287 0.000 1.262 258 C CA 0.732 59.759 59.018 0.014 0.000 1.733 258 C CB -1.073 26.533 27.740 -0.224 0.000 2.010 258 C HN 0.497 nan 8.230 nan 0.000 0.483 259 L N -0.696 120.687 121.223 0.267 0.000 2.042 259 L HA -0.211 4.109 4.340 -0.032 0.000 0.210 259 L C 2.514 179.519 176.870 0.224 0.000 1.076 259 L CA 1.991 57.016 54.840 0.308 0.000 0.749 259 L CB -0.614 41.582 42.059 0.228 0.000 0.893 259 L HN 0.592 nan 8.230 nan 0.000 0.432 260 W N 0.775 122.082 121.300 0.012 0.000 2.333 260 W HA -0.300 4.340 4.660 -0.033 0.000 0.316 260 W C 2.356 178.841 176.519 -0.057 0.000 1.215 260 W CA 1.657 58.980 57.345 -0.037 0.000 1.278 260 W CB -0.428 28.990 29.460 -0.070 0.000 1.154 260 W HN 0.032 nan 8.180 nan 0.000 0.486 261 L N 1.942 123.213 121.223 0.080 0.000 2.013 261 L HA -0.244 4.076 4.340 -0.032 0.000 0.212 261 L C 2.574 179.246 176.870 -0.330 0.000 1.073 261 L CA 2.756 57.467 54.840 -0.216 0.000 0.753 261 L CB -1.242 40.799 42.059 -0.031 0.000 0.890 261 L HN 0.157 nan 8.230 nan 0.000 0.432 262 K N -1.086 119.215 120.400 -0.165 0.000 2.148 262 K HA -0.217 4.084 4.320 -0.032 0.000 0.204 262 K C 2.028 178.487 176.600 -0.236 0.000 1.050 262 K CA 1.207 57.367 56.287 -0.211 0.000 0.942 262 K CB -0.020 32.362 32.500 -0.198 0.000 0.724 262 K HN 0.238 nan 8.250 nan 0.000 0.446 263 E N 0.031 120.075 120.200 -0.260 0.000 2.153 263 E HA -0.112 4.218 4.350 -0.032 0.000 0.194 263 E C 1.366 177.702 176.600 -0.440 0.000 0.988 263 E CA 1.665 57.892 56.400 -0.287 0.000 0.811 263 E CB -0.041 29.510 29.700 -0.248 0.000 0.746 263 E HN 0.315 nan 8.360 nan 0.000 0.466 264 T N -1.168 112.959 114.554 -0.712 0.000 3.014 264 T HA -0.020 4.310 4.350 -0.032 0.000 0.263 264 T C -0.191 173.923 174.700 -0.978 0.000 1.078 264 T CA 0.692 62.209 62.100 -0.971 0.000 1.135 264 T CB -0.064 67.899 68.868 -1.508 0.000 0.895 264 T HN 0.123 nan 8.240 nan 0.000 0.480 265 Y N 0.640 120.758 120.300 -0.304 0.000 2.535 265 Y HA 0.320 4.855 4.550 -0.025 0.000 0.351 265 Y C -2.088 173.709 175.900 -0.173 0.000 1.050 265 Y CA -2.812 55.182 58.100 -0.177 0.000 1.168 265 Y CB 0.810 39.219 38.460 -0.084 0.000 1.116 265 Y HN -0.023 nan 8.280 nan 0.000 0.654 266 P HA -0.201 nan 4.420 nan 0.000 0.216 266 P C 0.629 177.891 177.300 -0.064 0.000 1.153 266 P CA 1.712 64.757 63.100 -0.091 0.000 0.858 266 P CB 0.615 32.263 31.700 -0.086 0.000 0.789 267 D N -1.464 118.922 120.400 -0.022 0.000 2.339 267 D HA 0.177 4.797 4.640 -0.032 0.000 0.217 267 D C 1.548 177.847 176.300 -0.001 0.000 1.050 267 D CA 0.295 54.284 54.000 -0.019 0.000 0.856 267 D CB 0.263 41.057 40.800 -0.011 0.000 0.922 267 D HN 0.129 nan 8.370 nan 0.000 0.518 268 A N -0.118 122.723 122.820 0.035 0.000 2.288 268 A HA 0.222 4.523 4.320 -0.032 0.000 0.216 268 A C 0.681 178.329 177.584 0.107 0.000 1.199 268 A CA 0.054 52.139 52.037 0.080 0.000 0.891 268 A CB 0.868 19.950 19.000 0.137 0.000 0.923 268 A HN 0.001 nan 8.150 nan 0.000 0.500 269 V N 1.188 121.083 119.914 -0.032 0.000 2.409 269 V HA 0.335 4.436 4.120 -0.032 0.000 0.291 269 V C -0.574 175.361 176.094 -0.265 0.000 1.020 269 V CA -0.569 61.640 62.300 -0.152 0.000 0.848 269 V CB 1.532 33.145 31.823 -0.350 0.000 0.990 269 V HN 0.436 nan 8.190 nan 0.000 0.430 270 E N 4.567 124.662 120.200 -0.174 0.000 2.155 270 E HA 0.431 4.761 4.350 -0.032 0.000 0.264 270 E C -1.093 175.457 176.600 -0.084 0.000 0.886 270 E CA -0.509 55.790 56.400 -0.168 0.000 0.752 270 E CB 1.159 30.831 29.700 -0.046 0.000 1.133 270 E HN 0.555 nan 8.360 nan 0.000 0.414 271 F N 3.184 123.155 119.950 0.034 0.000 2.471 271 F HA 0.138 4.647 4.527 -0.031 0.000 0.353 271 F C 0.556 176.365 175.800 0.015 0.000 1.113 271 F CA -0.626 57.404 58.000 0.050 0.000 1.262 271 F CB 0.619 39.599 39.000 -0.033 0.000 1.146 271 F HN 0.310 nan 8.300 nan 0.000 0.578 272 L N 5.291 126.670 121.223 0.259 0.000 2.445 272 L HA 0.386 4.706 4.340 -0.032 0.000 0.252 272 L C -2.278 174.646 176.870 0.089 0.000 1.105 272 L CA -1.704 53.216 54.840 0.133 0.000 0.943 272 L CB 0.448 42.579 42.059 0.120 0.000 1.277 272 L HN 0.275 nan 8.230 nan 0.000 0.465 273 P HA -0.118 nan 4.420 nan 0.000 0.263 273 P C 0.602 177.906 177.300 0.007 0.000 1.145 273 P CA 0.864 63.958 63.100 -0.010 0.000 0.755 273 P CB 0.491 32.179 31.700 -0.020 0.000 0.746 274 L N 2.437 123.657 121.223 -0.005 0.000 2.640 274 L HA 0.167 4.488 4.340 -0.032 0.000 0.230 274 L C 2.272 179.118 176.870 -0.040 0.000 1.123 274 L CA 0.460 55.304 54.840 0.006 0.000 0.900 274 L CB -0.280 41.795 42.059 0.028 0.000 1.146 274 L HN 0.521 nan 8.230 nan 0.000 0.484 275 G N -0.446 108.318 108.800 -0.059 0.000 2.479 275 G HA2 -0.229 3.712 3.960 -0.032 0.000 0.220 275 G HA3 -0.229 3.712 3.960 -0.032 0.000 0.220 275 G C 1.035 175.858 174.900 -0.128 0.000 1.115 275 G CA 0.731 45.772 45.100 -0.099 0.000 0.757 275 G HN 0.293 nan 8.290 nan 0.000 0.560 276 D N -0.365 119.991 120.400 -0.074 0.000 2.349 276 D HA 0.071 4.692 4.640 -0.032 0.000 0.214 276 D C 2.170 178.451 176.300 -0.032 0.000 1.063 276 D CA -0.339 53.630 54.000 -0.053 0.000 0.847 276 D CB 0.488 41.281 40.800 -0.011 0.000 0.933 276 D HN 0.161 nan 8.370 nan 0.000 0.513 277 L N 0.886 122.086 121.223 -0.039 0.000 2.013 277 L HA -0.109 4.211 4.340 -0.032 0.000 0.212 277 L C 0.311 177.343 176.870 0.270 0.000 1.073 277 L CA 1.762 56.682 54.840 0.134 0.000 0.753 277 L CB -0.262 41.957 42.059 0.267 0.000 0.890 277 L HN -0.030 nan 8.230 nan 0.000 0.432 278 F N -3.901 116.087 119.950 0.064 0.000 2.711 278 F HA 0.641 5.148 4.527 -0.033 0.000 0.313 278 F C -2.694 173.141 175.800 0.057 0.000 1.141 278 F CA -2.784 55.254 58.000 0.063 0.000 0.941 278 F CB -0.406 38.655 39.000 0.101 0.000 1.349 278 F HN -0.306 nan 8.300 nan 0.000 0.464 279 P HA 0.311 nan 4.420 nan 0.000 0.270 279 P C 0.536 177.911 177.300 0.125 0.000 1.242 279 P CA 0.992 64.145 63.100 0.088 0.000 0.768 279 P CB 0.840 32.610 31.700 0.116 0.000 0.820 280 G N 3.428 112.233 108.800 0.008 0.000 2.218 280 G HA2 -0.274 3.666 3.960 -0.032 0.000 0.216 280 G HA3 -0.274 3.666 3.960 -0.032 0.000 0.216 280 G C 1.112 176.017 174.900 0.010 0.000 0.994 280 G CA 0.409 45.584 45.100 0.125 0.000 0.637 280 G HN 0.623 nan 8.290 nan 0.000 0.505 281 A N 1.055 123.461 122.820 -0.690 0.000 1.927 281 A HA -0.196 4.104 4.320 -0.032 0.000 0.220 281 A C 2.144 179.613 177.584 -0.192 0.000 1.185 281 A CA 2.545 54.029 52.037 -0.922 0.000 0.639 281 A CB -0.659 17.570 19.000 -1.285 0.000 0.820 281 A HN 0.551 nan 8.150 nan 0.000 0.451 282 N N 0.103 118.730 118.700 -0.122 0.000 2.096 282 N HA -0.203 4.518 4.740 -0.032 0.000 0.195 282 N C 1.472 177.016 175.510 0.057 0.000 1.017 282 N CA 1.808 54.847 53.050 -0.018 0.000 0.870 282 N CB -0.402 38.081 38.487 -0.007 0.000 1.024 282 N HN 0.650 nan 8.380 nan 0.000 0.434 283 K N -0.102 120.373 120.400 0.125 0.000 2.286 283 K HA -0.035 4.265 4.320 -0.032 0.000 0.203 283 K C 1.173 177.836 176.600 0.104 0.000 1.045 283 K CA 1.261 57.621 56.287 0.122 0.000 0.935 283 K CB 0.029 32.618 32.500 0.148 0.000 0.737 283 K HN 0.193 nan 8.250 nan 0.000 0.460 284 A N 0.521 123.433 122.820 0.154 0.000 2.508 284 A HA 0.152 4.452 4.320 -0.032 0.000 0.257 284 A C 0.028 177.695 177.584 0.138 0.000 1.226 284 A CA -0.479 51.652 52.037 0.156 0.000 0.947 284 A CB 0.308 19.436 19.000 0.213 0.000 1.079 284 A HN 0.094 nan 8.150 nan 0.000 0.531 285 L N 2.281 123.557 121.223 0.088 0.000 2.410 285 L HA 0.396 4.716 4.340 -0.032 0.000 0.273 285 L C 0.795 177.703 176.870 0.064 0.000 1.152 285 L CA 0.851 55.720 54.840 0.047 0.000 0.855 285 L CB 0.686 42.748 42.059 0.005 0.000 1.129 285 L HN 0.391 nan 8.230 nan 0.000 0.463 286 T N 0.356 114.941 114.554 0.052 0.000 2.944 286 T HA 0.348 4.678 4.350 -0.032 0.000 0.284 286 T C 0.884 175.551 174.700 -0.054 0.000 1.010 286 T CA -0.101 62.033 62.100 0.056 0.000 1.025 286 T CB 0.895 69.853 68.868 0.150 0.000 1.079 286 T HN 0.734 nan 8.240 nan 0.000 0.516 287 E N 0.266 120.442 120.200 -0.040 0.000 2.396 287 E HA -0.182 4.149 4.350 -0.032 0.000 0.200 287 E C 0.914 177.413 176.600 -0.170 0.000 1.023 287 E CA 1.188 57.545 56.400 -0.072 0.000 0.857 287 E CB -0.274 29.410 29.700 -0.027 0.000 0.775 287 E HN 0.787 nan 8.360 nan 0.000 0.525 288 E N -0.007 119.973 120.200 -0.367 0.000 2.415 288 E HA 0.184 4.515 4.350 -0.032 0.000 0.197 288 E C 1.198 177.352 176.600 -0.743 0.000 1.007 288 E CA 0.550 56.560 56.400 -0.649 0.000 0.890 288 E CB 0.938 29.906 29.700 -1.221 0.000 0.891 288 E HN 0.367 nan 8.360 nan 0.000 0.496 289 G N 0.020 108.481 108.800 -0.565 0.000 2.175 289 G HA2 -0.194 3.747 3.960 -0.032 0.000 0.182 289 G HA3 -0.194 3.747 3.960 -0.032 0.000 0.182 289 G C -0.285 174.492 174.900 -0.206 0.000 1.003 289 G CA -0.633 44.282 45.100 -0.308 0.000 0.666 289 G HN 0.069 nan 8.290 nan 0.000 0.506 290 F N 0.632 120.474 119.950 -0.180 0.000 2.382 290 F HA 0.678 5.185 4.527 -0.034 0.000 0.331 290 F C 1.075 176.730 175.800 -0.241 0.000 1.121 290 F CA -1.354 56.462 58.000 -0.306 0.000 1.183 290 F CB 0.779 39.540 39.000 -0.397 0.000 1.207 290 F HN -0.070 nan 8.300 nan 0.000 0.555 291 L N 2.475 123.630 121.223 -0.114 0.000 2.262 291 L HA 0.307 4.628 4.340 -0.032 0.000 0.288 291 L C -0.338 176.481 176.870 -0.086 0.000 1.035 291 L CA -0.311 54.503 54.840 -0.043 0.000 0.820 291 L CB 0.593 42.659 42.059 0.012 0.000 1.204 291 L HN 0.621 nan 8.230 nan 0.000 0.424 292 H N 3.172 122.244 119.070 0.003 0.000 2.638 292 H HA 0.300 4.837 4.556 -0.031 0.000 0.242 292 H C -0.651 174.631 175.328 -0.075 0.000 1.610 292 H CA -0.712 55.353 56.048 0.029 0.000 1.275 292 H CB 0.596 30.408 29.762 0.083 0.000 1.583 292 H HN 0.334 nan 8.280 nan 0.000 0.556 293 V N 5.870 125.867 119.914 0.139 0.000 2.370 293 V HA 0.010 4.110 4.120 -0.032 0.000 0.257 293 V C 0.238 176.373 176.094 0.069 0.000 1.064 293 V CA 0.044 62.422 62.300 0.129 0.000 0.975 293 V CB -0.934 31.008 31.823 0.198 0.000 1.067 293 V HN 0.547 nan 8.190 nan 0.000 0.485 294 F N 7.507 127.537 119.950 0.133 0.000 2.450 294 F HA 0.242 4.750 4.527 -0.031 0.000 0.339 294 F C -0.455 175.449 175.800 0.175 0.000 1.146 294 F CA -1.485 56.606 58.000 0.152 0.000 1.267 294 F CB 0.870 39.895 39.000 0.041 0.000 1.178 294 F HN 0.340 nan 8.300 nan 0.000 0.585 295 P HA -0.196 nan 4.420 nan 0.000 0.217 295 P C 0.451 177.881 177.300 0.216 0.000 1.151 295 P CA 1.540 64.824 63.100 0.306 0.000 0.828 295 P CB 0.031 31.883 31.700 0.254 0.000 0.788 296 Q N -0.963 118.959 119.800 0.202 0.000 2.444 296 Q HA 0.107 4.428 4.340 -0.032 0.000 0.206 296 Q C 2.101 178.133 176.000 0.054 0.000 0.948 296 Q CA 0.525 56.386 55.803 0.097 0.000 0.946 296 Q CB -0.999 27.780 28.738 0.068 0.000 1.027 296 Q HN 0.253 nan 8.270 nan 0.000 0.513 297 I N -0.540 120.039 120.570 0.016 0.000 2.163 297 I HA -0.224 3.927 4.170 -0.032 0.000 0.240 297 I C 1.069 177.097 176.117 -0.148 0.000 1.081 297 I CA 1.480 62.655 61.300 -0.208 0.000 1.353 297 I CB -0.077 37.622 38.000 -0.502 0.000 1.054 297 I HN 0.240 nan 8.210 nan 0.000 0.407 298 Y N -0.152 120.310 120.300 0.270 0.000 2.636 298 Y HA 0.204 4.734 4.550 -0.033 0.000 0.260 298 Y C -0.193 175.797 175.900 0.150 0.000 1.177 298 Y CA -0.898 57.389 58.100 0.312 0.000 1.209 298 Y CB 0.231 39.050 38.460 0.598 0.000 1.166 298 Y HN 0.108 nan 8.280 nan 0.000 0.531 299 D N 1.596 122.095 120.400 0.164 0.000 3.514 299 D HA -0.205 4.415 4.640 -0.032 0.000 0.213 299 D C -0.353 175.973 176.300 0.042 0.000 1.118 299 D CA 1.103 55.113 54.000 0.017 0.000 1.071 299 D CB -0.626 40.092 40.800 -0.138 0.000 0.781 299 D HN 0.538 nan 8.370 nan 0.000 0.384 300 C N 1.041 120.450 119.300 0.180 0.000 3.280 300 C HA 0.641 5.082 4.460 -0.032 0.000 0.348 300 C C -0.457 174.673 174.990 0.234 0.000 2.120 300 C CA -0.725 58.450 59.018 0.262 0.000 1.109 300 C CB 0.036 28.084 27.740 0.513 0.000 2.410 300 C HN 0.491 nan 8.230 nan 0.000 0.399 301 E N 1.265 121.615 120.200 0.250 0.000 2.391 301 E HA 0.484 4.815 4.350 -0.032 0.000 0.255 301 E C 0.399 177.173 176.600 0.290 0.000 1.187 301 E CA 0.561 57.101 56.400 0.233 0.000 0.941 301 E CB 0.200 30.028 29.700 0.214 0.000 1.010 301 E HN 1.035 nan 8.360 nan 0.000 0.458 302 G N 0.304 109.293 108.800 0.315 0.000 2.338 302 G HA2 0.524 4.465 3.960 -0.032 0.000 0.298 302 G HA3 0.524 4.465 3.960 -0.032 0.000 0.298 302 G C -1.331 173.800 174.900 0.384 0.000 1.140 302 G CA -0.177 45.121 45.100 0.330 0.000 0.860 302 G HN 0.229 nan 8.290 nan 0.000 0.470 303 F N 0.931 120.929 119.950 0.080 0.000 2.693 303 F HA 0.646 5.153 4.527 -0.033 0.000 0.309 303 F C -1.675 174.167 175.800 0.070 0.000 1.129 303 F CA -1.278 56.752 58.000 0.049 0.000 0.948 303 F CB 2.386 41.389 39.000 0.005 0.000 1.315 303 F HN 0.465 nan 8.300 nan 0.000 0.447 304 F N 4.014 123.757 119.950 -0.346 0.000 2.557 304 F HA 0.786 5.293 4.527 -0.033 0.000 0.316 304 F C -1.911 173.707 175.800 -0.304 0.000 1.141 304 F CA -0.783 57.026 58.000 -0.318 0.000 0.922 304 F CB 1.461 40.189 39.000 -0.453 0.000 1.194 304 F HN 0.204 nan 8.300 nan 0.000 0.443 305 V N 4.942 124.411 119.914 -0.743 0.000 2.638 305 V HA 0.899 5.000 4.120 -0.032 0.000 0.306 305 V C -0.802 174.922 176.094 -0.615 0.000 1.052 305 V CA -0.606 61.397 62.300 -0.497 0.000 0.885 305 V CB 1.555 33.282 31.823 -0.161 0.000 0.999 305 V HN 1.008 nan 8.190 nan 0.000 0.424 306 A N 4.857 127.440 122.820 -0.396 0.000 2.398 306 A HA 0.902 5.203 4.320 -0.032 0.000 0.301 306 A C -0.704 176.886 177.584 0.010 0.000 1.041 306 A CA -0.764 51.107 52.037 -0.276 0.000 0.711 306 A CB 1.632 20.266 19.000 -0.610 0.000 1.240 306 A HN 0.829 nan 8.150 nan 0.000 0.420 307 R N 2.164 122.757 120.500 0.155 0.000 2.480 307 R HA 0.701 5.021 4.340 -0.032 0.000 0.306 307 R C -1.674 174.789 176.300 0.271 0.000 0.958 307 R CA -0.522 55.674 56.100 0.160 0.000 0.861 307 R CB 0.901 31.265 30.300 0.106 0.000 1.171 307 R HN 0.798 nan 8.270 nan 0.000 0.445 308 L N 0.653 122.025 121.223 0.247 0.000 2.359 308 L HA 0.701 5.021 4.340 -0.032 0.000 0.256 308 L C -0.914 176.063 176.870 0.179 0.000 1.026 308 L CA -1.028 53.976 54.840 0.274 0.000 0.828 308 L CB 1.586 43.853 42.059 0.347 0.000 1.406 308 L HN 0.590 nan 8.230 nan 0.000 0.413 309 R N 1.339 121.923 120.500 0.141 0.000 2.599 309 R HA 0.443 4.764 4.340 -0.032 0.000 0.295 309 R C -1.015 175.370 176.300 0.142 0.000 0.963 309 R CA -0.698 55.469 56.100 0.112 0.000 0.883 309 R CB 1.672 32.010 30.300 0.063 0.000 1.171 309 R HN 0.879 nan 8.270 nan 0.000 0.450 310 K N 2.908 123.397 120.400 0.148 0.000 2.349 310 K HA 0.056 4.357 4.320 -0.032 0.000 0.289 310 K C 0.341 176.946 176.600 0.009 0.000 1.064 310 K CA 0.182 56.532 56.287 0.104 0.000 0.947 310 K CB 0.768 33.133 32.500 -0.224 0.000 1.007 310 K HN 0.752 nan 8.250 nan 0.000 0.478 311 T N 0.846 115.415 114.554 0.024 0.000 3.086 311 T HA 0.119 4.450 4.350 -0.032 0.000 0.250 311 T C 0.362 175.044 174.700 -0.029 0.000 1.074 311 T CA 0.042 62.137 62.100 -0.008 0.000 0.988 311 T CB 0.237 69.101 68.868 -0.006 0.000 0.988 311 T HN 0.603 nan 8.240 nan 0.000 0.530 312 Q N -0.419 119.352 119.800 -0.048 0.000 2.575 312 Q HA 0.652 4.972 4.340 -0.032 0.000 0.290 312 Q C -1.463 174.471 176.000 -0.109 0.000 0.963 312 Q CA -1.177 54.590 55.803 -0.060 0.000 0.783 312 Q CB 2.142 30.859 28.738 -0.035 0.000 1.467 312 Q HN 0.305 nan 8.270 nan 0.000 0.402 313 A N 1.375 124.135 122.820 -0.099 0.000 2.462 313 A HA 0.506 4.806 4.320 -0.032 0.000 0.243 313 A C -0.027 177.485 177.584 -0.120 0.000 1.076 313 A CA -0.034 51.928 52.037 -0.124 0.000 0.773 313 A CB -0.359 18.593 19.000 -0.081 0.000 1.010 313 A HN 0.564 nan 8.150 nan 0.000 0.493 314 I N -0.256 120.205 120.570 -0.182 0.000 2.750 314 I HA 0.698 4.849 4.170 -0.032 0.000 0.308 314 I C -2.490 173.604 176.117 -0.038 0.000 1.016 314 I CA -2.671 58.547 61.300 -0.137 0.000 1.098 314 I CB 0.969 38.747 38.000 -0.371 0.000 1.279 314 I HN 0.346 nan 8.210 nan 0.000 0.454 315 P HA 0.181 nan 4.420 nan 0.000 0.269 315 P C -0.637 176.756 177.300 0.155 0.000 1.211 315 P CA -0.204 62.956 63.100 0.099 0.000 0.781 315 P CB 0.376 32.151 31.700 0.125 0.000 0.877 316 A N 1.598 124.483 122.820 0.108 0.000 2.286 316 A HA 0.531 4.832 4.320 -0.032 0.000 0.286 316 A C -0.200 177.432 177.584 0.080 0.000 1.097 316 A CA -0.524 51.574 52.037 0.101 0.000 0.821 316 A CB -0.071 18.958 19.000 0.048 0.000 1.076 316 A HN 0.488 nan 8.150 nan 0.000 0.490 317 L N 1.383 122.619 121.223 0.022 0.000 2.387 317 L HA 0.400 4.721 4.340 -0.032 0.000 0.266 317 L C -0.840 176.018 176.870 -0.020 0.000 1.059 317 L CA -1.592 53.224 54.840 -0.039 0.000 0.801 317 L CB 0.595 42.569 42.059 -0.142 0.000 1.223 317 L HN 0.655 nan 8.230 nan 0.000 0.456 318 P HA -0.065 nan 4.420 nan 0.000 0.217 318 P C 0.342 177.628 177.300 -0.023 0.000 1.151 318 P CA 0.591 63.681 63.100 -0.017 0.000 0.828 318 P CB 0.186 31.877 31.700 -0.015 0.000 0.788 319 A N 1.983 124.781 122.820 -0.037 0.000 3.037 319 A HA 0.341 4.642 4.320 -0.032 0.000 0.272 319 A C -1.999 175.561 177.584 -0.040 0.000 1.723 319 A CA -0.839 51.174 52.037 -0.041 0.000 1.413 319 A CB -0.935 18.032 19.000 -0.055 0.000 1.112 319 A HN 0.185 nan 8.150 nan 0.000 0.606 320 P HA 0.370 nan 4.420 nan 0.000 0.212 320 P C 0.174 177.475 177.300 0.002 0.000 1.860 320 P CA -0.376 62.713 63.100 -0.018 0.000 1.135 320 P CB 1.353 33.043 31.700 -0.017 0.000 1.801 321 K N 0.763 121.170 120.400 0.012 0.000 2.242 321 K HA 0.032 4.332 4.320 -0.032 0.000 0.200 321 K C 0.527 177.203 176.600 0.128 0.000 1.050 321 K CA 0.776 57.087 56.287 0.041 0.000 0.981 321 K CB -0.449 32.055 32.500 0.006 0.000 0.795 321 K HN 0.097 nan 8.250 nan 0.000 0.477 322 Y N 2.575 122.839 120.300 -0.059 0.000 2.676 322 Y HA 0.243 4.772 4.550 -0.035 0.000 0.331 322 Y C -0.633 175.247 175.900 -0.033 0.000 1.128 322 Y CA -1.214 56.858 58.100 -0.048 0.000 1.360 322 Y CB -0.590 37.828 38.460 -0.069 0.000 1.176 322 Y HN -0.216 nan 8.280 nan 0.000 0.518 323 K N 0.775 121.180 120.400 0.007 0.000 2.419 323 K HA -0.097 4.204 4.320 -0.032 0.000 0.258 323 K C 0.918 177.436 176.600 -0.137 0.000 1.089 323 K CA 0.497 56.752 56.287 -0.053 0.000 1.180 323 K CB 0.106 32.592 32.500 -0.024 0.000 0.778 323 K HN 0.171 nan 8.250 nan 0.000 0.492 324 V N 2.061 121.908 119.914 -0.112 0.000 3.623 324 V HA 0.005 4.105 4.120 -0.032 0.000 0.271 324 V C 1.396 177.446 176.094 -0.072 0.000 1.248 324 V CA 0.568 62.790 62.300 -0.130 0.000 1.156 324 V CB -1.192 30.583 31.823 -0.079 0.000 0.870 324 V HN 1.031 nan 8.190 nan 0.000 0.453 325 G N 1.900 110.670 108.800 -0.050 0.000 2.791 325 G HA2 -0.275 3.666 3.960 -0.032 0.000 0.256 325 G HA3 -0.275 3.666 3.960 -0.032 0.000 0.256 325 G C -0.229 174.697 174.900 0.043 0.000 1.380 325 G CA -0.162 44.930 45.100 -0.014 0.000 0.904 325 G HN 0.536 nan 8.290 nan 0.000 0.563 326 N N -0.289 118.442 118.700 0.051 0.000 2.412 326 N HA 0.183 4.903 4.740 -0.032 0.000 0.258 326 N C -0.042 175.573 175.510 0.174 0.000 1.236 326 N CA 0.267 53.376 53.050 0.097 0.000 0.882 326 N CB 0.316 38.834 38.487 0.052 0.000 1.066 326 N HN 0.475 nan 8.380 nan 0.000 0.465 327 F N 3.645 123.624 119.950 0.048 0.000 2.438 327 F HA 0.202 4.714 4.527 -0.025 0.000 0.356 327 F C -0.991 174.831 175.800 0.036 0.000 1.099 327 F CA -1.845 56.198 58.000 0.072 0.000 1.185 327 F CB 1.165 40.258 39.000 0.154 0.000 1.115 327 F HN 0.451 nan 8.300 nan 0.000 0.526 328 P HA 0.042 nan 4.420 nan 0.000 0.249 328 P C -0.829 176.094 177.300 -0.627 0.000 1.241 328 P CA 0.665 63.431 63.100 -0.556 0.000 0.781 328 P CB -0.229 31.034 31.700 -0.727 0.000 1.088 329 F N 0.293 120.043 119.950 -0.333 0.000 2.546 329 F HA 0.416 4.923 4.527 -0.034 0.000 0.320 329 F C 0.566 176.581 175.800 0.358 0.000 1.076 329 F CA -0.786 57.193 58.000 -0.036 0.000 0.928 329 F CB 1.919 40.835 39.000 -0.140 0.000 1.189 329 F HN -0.287 nan 8.300 nan 0.000 0.465 330 S N 1.656 117.694 115.700 0.563 0.000 2.526 330 S HA 0.626 5.077 4.470 -0.032 0.000 0.293 330 S C -3.142 171.537 174.600 0.131 0.000 1.092 330 S CA -2.016 56.394 58.200 0.351 0.000 0.980 330 S CB 1.931 65.231 63.200 0.167 0.000 1.048 330 S HN 0.149 nan 8.310 nan 0.000 0.483 331 P HA 0.219 nan 4.420 nan 0.000 0.271 331 P C -0.663 176.468 177.300 -0.283 0.000 1.216 331 P CA -0.429 62.226 63.100 -0.742 0.000 0.776 331 P CB 0.397 31.500 31.700 -0.995 0.000 0.881 332 V N 4.220 124.016 119.914 -0.196 0.000 2.614 332 V HA 0.096 4.196 4.120 -0.032 0.000 0.291 332 V C 1.039 177.087 176.094 -0.075 0.000 1.049 332 V CA -0.211 62.048 62.300 -0.067 0.000 1.038 332 V CB 0.209 32.037 31.823 0.009 0.000 0.980 332 V HN 0.452 nan 8.190 nan 0.000 0.481 333 K N 2.551 122.930 120.400 -0.035 0.000 2.276 333 K HA 0.079 4.379 4.320 -0.032 0.000 0.259 333 K C 0.848 177.442 176.600 -0.010 0.000 1.001 333 K CA -0.021 56.248 56.287 -0.029 0.000 0.927 333 K CB 0.651 33.144 32.500 -0.012 0.000 0.969 333 K HN 0.653 nan 8.250 nan 0.000 0.490 334 D N 1.663 122.057 120.400 -0.010 0.000 2.103 334 D HA -0.204 4.417 4.640 -0.032 0.000 0.190 334 D C 1.774 178.092 176.300 0.030 0.000 0.997 334 D CA 1.417 55.421 54.000 0.007 0.000 0.833 334 D CB -0.059 40.743 40.800 0.003 0.000 0.961 334 D HN 0.538 nan 8.370 nan 0.000 0.447 335 R N 0.930 121.447 120.500 0.028 0.000 2.168 335 R HA -0.277 4.044 4.340 -0.032 0.000 0.242 335 R C 2.062 178.396 176.300 0.056 0.000 1.123 335 R CA 2.231 58.354 56.100 0.038 0.000 0.928 335 R CB -0.447 29.871 30.300 0.030 0.000 0.873 335 R HN 0.272 nan 8.270 nan 0.000 0.434 336 E N -0.559 119.676 120.200 0.059 0.000 2.046 336 E HA -0.136 4.195 4.350 -0.032 0.000 0.190 336 E C 1.999 178.664 176.600 0.108 0.000 0.982 336 E CA 0.981 57.432 56.400 0.085 0.000 0.800 336 E CB -0.181 29.567 29.700 0.080 0.000 0.756 336 E HN 0.532 nan 8.360 nan 0.000 0.449 337 A N 0.967 123.841 122.820 0.090 0.000 1.929 337 A HA -0.271 4.029 4.320 -0.032 0.000 0.221 337 A C 2.365 180.047 177.584 0.163 0.000 1.211 337 A CA 2.335 54.441 52.037 0.115 0.000 0.657 337 A CB -1.612 17.423 19.000 0.058 0.000 0.827 337 A HN 0.489 nan 8.150 nan 0.000 0.462 338 G N -0.288 108.588 108.800 0.128 0.000 2.433 338 G HA2 -0.269 3.671 3.960 -0.032 0.000 0.216 338 G HA3 -0.269 3.671 3.960 -0.032 0.000 0.216 338 G C 1.575 176.546 174.900 0.118 0.000 1.186 338 G CA 1.118 46.294 45.100 0.128 0.000 0.779 338 G HN 0.815 nan 8.290 nan 0.000 0.543 339 Q N -0.047 119.820 119.800 0.112 0.000 2.291 339 Q HA 0.007 4.327 4.340 -0.032 0.000 0.206 339 Q C 2.426 178.509 176.000 0.137 0.000 0.976 339 Q CA 1.035 56.909 55.803 0.118 0.000 0.875 339 Q CB -0.346 28.468 28.738 0.126 0.000 0.927 339 Q HN 0.542 nan 8.270 nan 0.000 0.450 340 I N 1.649 122.310 120.570 0.152 0.000 2.235 340 I HA -0.225 3.926 4.170 -0.032 0.000 0.241 340 I C 2.880 179.040 176.117 0.071 0.000 1.085 340 I CA 1.318 62.688 61.300 0.115 0.000 1.378 340 I CB -0.367 37.734 38.000 0.168 0.000 1.076 340 I HN 0.200 nan 8.210 nan 0.000 0.415 341 R N 1.183 121.760 120.500 0.128 0.000 2.105 341 R HA -0.256 4.064 4.340 -0.032 0.000 0.239 341 R C 2.146 178.344 176.300 -0.169 0.000 1.135 341 R CA 1.824 57.903 56.100 -0.036 0.000 0.967 341 R CB -0.609 29.762 30.300 0.117 0.000 0.861 341 R HN 0.443 nan 8.270 nan 0.000 0.442 342 Q N 0.190 119.953 119.800 -0.061 0.000 2.079 342 Q HA -0.096 4.225 4.340 -0.032 0.000 0.200 342 Q C 2.049 178.006 176.000 -0.071 0.000 0.974 342 Q CA 1.643 57.405 55.803 -0.068 0.000 0.840 342 Q CB -0.076 28.658 28.738 -0.007 0.000 0.898 342 Q HN 0.552 nan 8.270 nan 0.000 0.430 343 A N 0.394 123.199 122.820 -0.025 0.000 1.969 343 A HA -0.038 4.262 4.320 -0.032 0.000 0.218 343 A C 2.142 179.645 177.584 -0.135 0.000 1.169 343 A CA 1.485 53.526 52.037 0.006 0.000 0.635 343 A CB -0.509 18.535 19.000 0.073 0.000 0.810 343 A HN 0.485 nan 8.150 nan 0.000 0.445 344 A N -1.436 121.215 122.820 -0.281 0.000 1.898 344 A HA 0.009 4.310 4.320 -0.032 0.000 0.214 344 A C 2.254 179.522 177.584 -0.527 0.000 1.183 344 A CA 1.969 53.606 52.037 -0.667 0.000 0.622 344 A CB -1.111 17.552 19.000 -0.563 0.000 0.824 344 A HN 0.361 nan 8.150 nan 0.000 0.444 345 T N 0.007 114.335 114.554 -0.377 0.000 2.720 345 T HA -0.102 4.228 4.350 -0.032 0.000 0.268 345 T C 1.786 176.331 174.700 -0.258 0.000 1.037 345 T CA 1.602 63.509 62.100 -0.321 0.000 1.144 345 T CB -0.491 68.215 68.868 -0.270 0.000 0.864 345 T HN 0.574 nan 8.240 nan 0.000 0.444 346 G N -0.246 108.427 108.800 -0.212 0.000 2.625 346 G HA2 0.008 3.948 3.960 -0.032 0.000 0.214 346 G HA3 0.008 3.948 3.960 -0.032 0.000 0.214 346 G C 1.226 176.022 174.900 -0.173 0.000 1.132 346 G CA 0.263 45.275 45.100 -0.146 0.000 0.782 346 G HN 0.467 nan 8.290 nan 0.000 0.538 347 V N -0.694 119.045 119.914 -0.292 0.000 3.477 347 V HA 0.454 4.555 4.120 -0.032 0.000 0.297 347 V C 1.690 177.591 176.094 -0.321 0.000 1.433 347 V CA 0.880 62.984 62.300 -0.326 0.000 1.052 347 V CB 0.430 31.946 31.823 -0.512 0.000 0.895 347 V HN 0.623 nan 8.190 nan 0.000 0.438 348 G N 0.734 109.354 108.800 -0.301 0.000 2.179 348 G HA2 -0.174 3.767 3.960 -0.032 0.000 0.220 348 G HA3 -0.174 3.767 3.960 -0.032 0.000 0.220 348 G C -0.085 174.650 174.900 -0.275 0.000 0.990 348 G CA -0.031 44.921 45.100 -0.246 0.000 0.646 348 G HN 0.399 nan 8.290 nan 0.000 0.517 349 L N 1.687 122.685 121.223 -0.375 0.000 2.295 349 L HA 0.621 4.941 4.340 -0.032 0.000 0.285 349 L C -0.148 176.489 176.870 -0.388 0.000 1.035 349 L CA -0.896 53.727 54.840 -0.361 0.000 0.806 349 L CB 1.356 43.141 42.059 -0.457 0.000 1.214 349 L HN 0.200 nan 8.230 nan 0.000 0.426 350 N N 2.908 121.416 118.700 -0.319 0.000 2.277 350 N HA 0.468 5.188 4.740 -0.032 0.000 0.286 350 N C -1.703 173.669 175.510 -0.229 0.000 1.140 350 N CA -0.755 52.043 53.050 -0.420 0.000 0.799 350 N CB 2.453 40.737 38.487 -0.338 0.000 1.596 350 N HN 0.589 nan 8.380 nan 0.000 0.473 351 W N -0.037 121.245 121.300 -0.031 0.000 2.719 351 W HA 0.483 5.126 4.660 -0.029 0.000 0.352 351 W C -0.568 175.953 176.519 0.003 0.000 1.085 351 W CA -0.642 56.700 57.345 -0.005 0.000 1.187 351 W CB 0.479 29.947 29.460 0.014 0.000 1.417 351 W HN 0.234 nan 8.180 nan 0.000 0.557 352 D N 1.459 122.117 120.400 0.431 0.000 2.352 352 D HA -0.090 4.531 4.640 -0.032 0.000 0.238 352 D C 1.346 177.828 176.300 0.303 0.000 1.286 352 D CA 0.508 54.690 54.000 0.305 0.000 0.923 352 D CB 0.720 41.623 40.800 0.172 0.000 1.146 352 D HN 0.468 nan 8.370 nan 0.000 0.471 353 E N -0.150 120.150 120.200 0.166 0.000 2.516 353 E HA -0.112 4.219 4.350 -0.032 0.000 0.199 353 E C 0.995 177.592 176.600 -0.004 0.000 1.069 353 E CA 0.488 56.913 56.400 0.042 0.000 0.876 353 E CB -0.343 29.390 29.700 0.055 0.000 0.843 353 E HN 0.232 nan 8.360 nan 0.000 0.530 354 N N 0.019 118.741 118.700 0.038 0.000 2.457 354 N HA 0.045 4.766 4.740 -0.032 0.000 0.180 354 N C -0.440 175.081 175.510 0.017 0.000 1.050 354 N CA 0.453 53.526 53.050 0.037 0.000 0.906 354 N CB 0.207 38.735 38.487 0.068 0.000 0.968 354 N HN 0.180 nan 8.380 nan 0.000 0.445 355 L N 0.312 121.508 121.223 -0.046 0.000 2.342 355 L HA 0.542 4.863 4.340 -0.032 0.000 0.271 355 L C -0.197 176.501 176.870 -0.287 0.000 1.008 355 L CA -0.840 53.952 54.840 -0.081 0.000 0.818 355 L CB 2.192 44.241 42.059 -0.017 0.000 1.296 355 L HN -0.077 nan 8.230 nan 0.000 0.427 356 R N 2.373 122.800 120.500 -0.122 0.000 2.621 356 R HA 0.521 4.841 4.340 -0.032 0.000 0.284 356 R C -1.367 174.929 176.300 -0.007 0.000 0.998 356 R CA -0.972 55.030 56.100 -0.163 0.000 0.895 356 R CB 2.381 32.642 30.300 -0.065 0.000 1.195 356 R HN 0.456 nan 8.270 nan 0.000 0.450 357 L N 3.140 124.297 121.223 -0.110 0.000 2.418 357 L HA 0.153 4.473 4.340 -0.032 0.000 0.274 357 L C -0.615 176.264 176.870 0.014 0.000 1.135 357 L CA 0.345 55.192 54.840 0.012 0.000 0.870 357 L CB 0.149 42.229 42.059 0.034 0.000 1.154 357 L HN 0.377 nan 8.230 nan 0.000 0.462 358 W N 2.291 123.460 121.300 -0.219 0.000 2.703 358 W HA 0.655 5.293 4.660 -0.037 0.000 0.359 358 W C -0.419 176.081 176.519 -0.032 0.000 1.168 358 W CA -0.676 56.573 57.345 -0.160 0.000 1.177 358 W CB 0.949 30.205 29.460 -0.339 0.000 1.434 358 W HN 0.394 nan 8.180 nan 0.000 0.618 359 Q N 0.043 120.065 119.800 0.369 0.000 2.416 359 Q HA 0.643 4.964 4.340 -0.032 0.000 0.281 359 Q C -0.319 175.935 176.000 0.423 0.000 1.067 359 Q CA -0.959 55.058 55.803 0.356 0.000 0.809 359 Q CB 3.291 32.162 28.738 0.222 0.000 1.418 359 Q HN 0.614 nan 8.270 nan 0.000 0.411 360 R N 0.734 121.453 120.500 0.365 0.000 3.007 360 R HA 0.183 4.503 4.340 -0.032 0.000 0.162 360 R C -0.189 176.170 176.300 0.098 0.000 1.083 360 R CA 0.866 57.062 56.100 0.159 0.000 1.093 360 R CB 0.431 30.725 30.300 -0.009 0.000 1.305 360 R HN 0.826 nan 8.270 nan 0.000 0.511 361 D N -0.239 120.236 120.400 0.124 0.000 3.180 361 D HA 0.111 4.731 4.640 -0.032 0.000 0.226 361 D C 0.894 177.245 176.300 0.084 0.000 1.252 361 D CA -0.097 53.950 54.000 0.078 0.000 1.287 361 D CB 0.547 41.380 40.800 0.056 0.000 0.919 361 D HN -0.068 nan 8.370 nan 0.000 0.186 362 K N 0.940 121.387 120.400 0.078 0.000 2.486 362 K HA 0.081 4.381 4.320 -0.032 0.000 0.194 362 K C -0.078 176.576 176.600 0.091 0.000 1.033 362 K CA 0.482 56.810 56.287 0.068 0.000 1.004 362 K CB -0.087 32.453 32.500 0.066 0.000 0.798 362 K HN 0.380 nan 8.250 nan 0.000 0.495 363 E N 1.233 121.521 120.200 0.146 0.000 2.383 363 E HA 0.257 4.588 4.350 -0.032 0.000 0.264 363 E C -0.471 176.267 176.600 0.230 0.000 1.050 363 E CA -0.104 56.413 56.400 0.196 0.000 0.896 363 E CB 0.895 30.823 29.700 0.380 0.000 0.982 363 E HN 0.041 nan 8.360 nan 0.000 0.424 364 L N 3.158 124.452 121.223 0.119 0.000 2.446 364 L HA 0.366 4.686 4.340 -0.032 0.000 0.268 364 L C -1.321 175.533 176.870 -0.028 0.000 0.975 364 L CA -0.598 54.311 54.840 0.115 0.000 0.848 364 L CB 0.813 42.924 42.059 0.087 0.000 1.225 364 L HN 0.508 nan 8.230 nan 0.000 0.410 365 W N 3.882 125.132 121.300 -0.083 0.000 2.647 365 W HA 0.678 5.319 4.660 -0.031 0.000 0.353 365 W C -0.683 175.661 176.519 -0.291 0.000 1.080 365 W CA -0.389 56.794 57.345 -0.270 0.000 1.208 365 W CB 1.607 30.637 29.460 -0.716 0.000 1.396 365 W HN 0.148 nan 8.180 nan 0.000 0.573 366 L N 3.252 124.484 121.223 0.016 0.000 2.325 366 L HA 0.469 4.789 4.340 -0.032 0.000 0.281 366 L C -1.062 175.864 176.870 0.093 0.000 1.004 366 L CA -0.769 54.092 54.840 0.035 0.000 0.823 366 L CB 0.527 42.659 42.059 0.122 0.000 1.236 366 L HN 0.139 nan 8.230 nan 0.000 0.415 367 F N 3.842 123.852 119.950 0.100 0.000 2.480 367 F HA 0.536 5.045 4.527 -0.030 0.000 0.329 367 F C -2.031 173.782 175.800 0.021 0.000 1.091 367 F CA -3.351 54.612 58.000 -0.061 0.000 0.972 367 F CB 1.192 39.956 39.000 -0.392 0.000 1.150 367 F HN 0.228 nan 8.300 nan 0.000 0.467 368 P HA 0.128 nan 4.420 nan 0.000 0.281 368 P C 0.817 178.179 177.300 0.105 0.000 1.252 368 P CA -0.054 63.117 63.100 0.118 0.000 0.778 368 P CB 1.368 33.118 31.700 0.084 0.000 0.895 369 V N 4.092 124.068 119.914 0.104 0.000 2.370 369 V HA -0.274 3.826 4.120 -0.032 0.000 0.252 369 V C 2.764 178.893 176.094 0.058 0.000 1.068 369 V CA 2.770 65.129 62.300 0.098 0.000 1.061 369 V CB -1.848 30.015 31.823 0.066 0.000 0.656 369 V HN 0.790 nan 8.190 nan 0.000 0.455 370 G N -0.430 108.397 108.800 0.045 0.000 2.550 370 G HA2 -0.332 3.609 3.960 -0.032 0.000 0.222 370 G HA3 -0.332 3.609 3.960 -0.032 0.000 0.222 370 G C 1.522 176.422 174.900 0.001 0.000 1.113 370 G CA 1.463 46.581 45.100 0.029 0.000 0.748 370 G HN 0.544 nan 8.290 nan 0.000 0.585 371 I N -0.144 120.409 120.570 -0.029 0.000 3.427 371 I HA 0.182 4.333 4.170 -0.032 0.000 0.288 371 I C 2.356 178.394 176.117 -0.132 0.000 1.249 371 I CA 0.398 61.636 61.300 -0.103 0.000 1.421 371 I CB 0.077 37.936 38.000 -0.236 0.000 1.086 371 I HN 0.190 nan 8.210 nan 0.000 0.448 372 E N 0.724 120.892 120.200 -0.053 0.000 2.130 372 E HA -0.293 4.038 4.350 -0.032 0.000 0.196 372 E C 2.254 178.841 176.600 -0.022 0.000 0.998 372 E CA 1.354 57.755 56.400 0.002 0.000 0.806 372 E CB -0.266 29.533 29.700 0.165 0.000 0.738 372 E HN 0.603 nan 8.360 nan 0.000 0.459 373 A N 0.062 122.867 122.820 -0.026 0.000 2.093 373 A HA -0.196 4.105 4.320 -0.032 0.000 0.222 373 A C 1.845 179.400 177.584 -0.048 0.000 1.162 373 A CA 1.287 53.300 52.037 -0.040 0.000 0.655 373 A CB -0.191 18.769 19.000 -0.067 0.000 0.805 373 A HN 0.141 nan 8.150 nan 0.000 0.461 374 L N -1.086 120.119 121.223 -0.030 0.000 2.515 374 L HA 0.309 4.629 4.340 -0.032 0.000 0.223 374 L C 0.611 177.507 176.870 0.044 0.000 1.079 374 L CA 0.144 55.008 54.840 0.040 0.000 0.857 374 L CB -0.233 41.960 42.059 0.222 0.000 1.050 374 L HN 0.248 nan 8.230 nan 0.000 0.476 375 I N 1.129 121.648 120.570 -0.085 0.000 2.943 375 I HA 0.031 4.181 4.170 -0.032 0.000 0.296 375 I C 1.478 177.482 176.117 -0.188 0.000 1.220 375 I CA 1.219 62.326 61.300 -0.323 0.000 1.409 375 I CB -0.553 37.120 38.000 -0.545 0.000 1.374 375 I HN 0.491 nan 8.210 nan 0.000 0.545 376 G N 4.855 113.555 108.800 -0.166 0.000 2.213 376 G HA2 -0.262 3.679 3.960 -0.032 0.000 0.236 376 G HA3 -0.262 3.679 3.960 -0.032 0.000 0.236 376 G C 0.906 175.769 174.900 -0.061 0.000 0.991 376 G CA 0.172 45.224 45.100 -0.079 0.000 0.629 376 G HN 0.638 nan 8.290 nan 0.000 0.517 377 K N -0.229 120.130 120.400 -0.067 0.000 2.308 377 K HA 0.469 4.770 4.320 -0.032 0.000 0.197 377 K C 0.745 177.275 176.600 -0.115 0.000 1.049 377 K CA 1.179 57.423 56.287 -0.071 0.000 0.991 377 K CB 1.149 33.617 32.500 -0.052 0.000 0.836 377 K HN 0.852 nan 8.250 nan 0.000 0.500 378 V N -0.982 118.838 119.914 -0.157 0.000 2.925 378 V HA 0.465 4.566 4.120 -0.032 0.000 0.311 378 V C -0.958 175.001 176.094 -0.225 0.000 1.104 378 V CA -1.384 60.773 62.300 -0.239 0.000 0.954 378 V CB 2.141 33.763 31.823 -0.336 0.000 1.022 378 V HN 0.009 nan 8.190 nan 0.000 0.427 379 R N 2.009 122.533 120.500 0.040 0.000 2.298 379 R HA 0.549 4.870 4.340 -0.032 0.000 0.310 379 R C -1.300 174.970 176.300 -0.050 0.000 1.068 379 R CA -0.235 55.915 56.100 0.083 0.000 0.957 379 R CB 0.559 30.954 30.300 0.159 0.000 1.003 379 R HN 0.730 nan 8.270 nan 0.000 0.454 380 F N 1.042 121.089 119.950 0.162 0.000 2.399 380 F HA 0.120 4.625 4.527 -0.037 0.000 0.334 380 F C 1.559 177.398 175.800 0.066 0.000 1.097 380 F CA 0.101 58.171 58.000 0.116 0.000 1.076 380 F CB 2.022 41.078 39.000 0.093 0.000 1.162 380 F HN 0.527 nan 8.300 nan 0.000 0.495 381 S N 2.767 118.602 115.700 0.224 0.000 2.470 381 S HA 0.165 4.616 4.470 -0.032 0.000 0.225 381 S C 0.471 175.146 174.600 0.124 0.000 1.006 381 S CA 0.365 58.631 58.200 0.109 0.000 0.934 381 S CB 0.064 63.293 63.200 0.049 0.000 0.778 381 S HN 0.714 nan 8.310 nan 0.000 0.517 382 R N -0.876 119.727 120.500 0.172 0.000 2.824 382 R HA 0.455 4.775 4.340 -0.032 0.000 0.267 382 R C -2.574 173.737 176.300 0.018 0.000 1.035 382 R CA -0.604 55.551 56.100 0.092 0.000 0.887 382 R CB 0.404 30.796 30.300 0.153 0.000 1.262 382 R HN 0.245 nan 8.270 nan 0.000 0.487 383 L N 2.070 123.231 121.223 -0.104 0.000 2.472 383 L HA 0.755 5.075 4.340 -0.032 0.000 0.260 383 L C 0.760 177.820 176.870 0.317 0.000 0.963 383 L CA 0.183 54.897 54.840 -0.209 0.000 0.829 383 L CB 1.600 42.974 42.059 -1.142 0.000 1.348 383 L HN 0.951 nan 8.230 nan 0.000 0.408 384 G N 1.809 110.793 108.800 0.307 0.000 2.582 384 G HA2 -0.217 3.723 3.960 -0.032 0.000 0.288 384 G HA3 -0.217 3.723 3.960 -0.032 0.000 0.288 384 G C -0.247 174.940 174.900 0.478 0.000 1.247 384 G CA 0.472 45.828 45.100 0.427 0.000 0.972 384 G HN 1.199 nan 8.290 nan 0.000 0.557 385 I N -2.482 118.315 120.570 0.378 0.000 2.740 385 I HA 0.744 4.895 4.170 -0.032 0.000 0.303 385 I C 0.010 175.939 176.117 -0.314 0.000 1.044 385 I CA -1.227 60.155 61.300 0.137 0.000 1.064 385 I CB 2.207 40.252 38.000 0.074 0.000 1.249 385 I HN 0.603 nan 8.210 nan 0.000 0.433 386 K N 2.891 122.762 120.400 -0.882 0.000 2.349 386 K HA 0.158 4.458 4.320 -0.032 0.000 0.289 386 K C 0.313 176.647 176.600 -0.443 0.000 1.064 386 K CA -0.482 55.060 56.287 -1.242 0.000 0.947 386 K CB 1.044 32.884 32.500 -1.100 0.000 1.007 386 K HN 0.687 nan 8.250 nan 0.000 0.478 387 L N 4.653 125.709 121.223 -0.279 0.000 2.084 387 L HA 0.249 4.569 4.340 -0.032 0.000 0.202 387 L C 0.121 177.042 176.870 0.086 0.000 1.074 387 L CA 1.684 56.535 54.840 0.019 0.000 0.757 387 L CB -0.257 41.886 42.059 0.141 0.000 0.918 387 L HN 0.753 nan 8.230 nan 0.000 0.444 388 A N -1.295 121.493 122.820 -0.054 0.000 2.581 388 A HA 0.625 4.926 4.320 -0.032 0.000 0.290 388 A C -1.390 176.126 177.584 -0.112 0.000 1.119 388 A CA -0.517 51.444 52.037 -0.126 0.000 0.670 388 A CB 0.742 19.495 19.000 -0.413 0.000 1.280 388 A HN 0.046 nan 8.150 nan 0.000 0.425 389 E N 0.654 120.783 120.200 -0.118 0.000 2.158 389 E HA 0.557 4.888 4.350 -0.032 0.000 0.271 389 E C -0.202 176.359 176.600 -0.064 0.000 0.911 389 E CA -0.085 56.281 56.400 -0.057 0.000 0.767 389 E CB 1.193 30.856 29.700 -0.061 0.000 1.120 389 E HN 0.765 nan 8.360 nan 0.000 0.405 390 T N 1.910 116.448 114.554 -0.027 0.000 2.870 390 T HA 0.322 4.653 4.350 -0.032 0.000 0.300 390 T C -0.353 174.341 174.700 -0.010 0.000 0.989 390 T CA -0.355 61.684 62.100 -0.101 0.000 1.139 390 T CB 0.544 69.337 68.868 -0.124 0.000 0.920 390 T HN 0.482 nan 8.240 nan 0.000 0.537 391 H N 2.699 121.643 119.070 -0.210 0.000 2.934 391 H HA 0.348 4.884 4.556 -0.033 0.000 0.340 391 H C 0.588 175.818 175.328 -0.165 0.000 1.008 391 H CA -0.127 55.833 56.048 -0.148 0.000 1.317 391 H CB 0.767 30.464 29.762 -0.108 0.000 1.670 391 H HN 0.944 nan 8.280 nan 0.000 0.516 392 N N 2.056 120.547 118.700 -0.349 0.000 1.189 392 N HA -0.326 4.394 4.740 -0.032 0.000 0.105 392 N C 0.443 175.821 175.510 -0.221 0.000 0.794 392 N CA 1.084 53.986 53.050 -0.246 0.000 0.837 392 N CB -0.396 37.985 38.487 -0.177 0.000 0.971 392 N HN 0.480 nan 8.380 nan 0.000 0.657 393 K N 1.585 121.876 120.400 -0.182 0.000 2.515 393 K HA 0.095 4.396 4.320 -0.032 0.000 0.196 393 K C 1.206 177.594 176.600 -0.353 0.000 1.038 393 K CA 0.962 57.126 56.287 -0.205 0.000 0.967 393 K CB -0.439 31.993 32.500 -0.113 0.000 0.780 393 K HN 0.486 nan 8.250 nan 0.000 0.483 394 G N -1.161 107.433 108.800 -0.343 0.000 2.606 394 G HA2 0.450 4.390 3.960 -0.032 0.000 0.262 394 G HA3 0.450 4.390 3.960 -0.032 0.000 0.262 394 G C -1.157 173.322 174.900 -0.702 0.000 1.394 394 G CA -0.502 44.363 45.100 -0.392 0.000 1.044 394 G HN 0.115 nan 8.290 nan 0.000 0.553 395 Y N -1.392 118.756 120.300 -0.253 0.000 2.442 395 Y HA 0.463 4.993 4.550 -0.033 0.000 0.330 395 Y C -0.014 175.516 175.900 -0.616 0.000 1.100 395 Y CA -0.909 56.850 58.100 -0.569 0.000 1.034 395 Y CB 2.035 39.818 38.460 -1.128 0.000 1.285 395 Y HN 0.285 nan 8.280 nan 0.000 0.440 396 R N 2.432 122.735 120.500 -0.329 0.000 2.233 396 R HA 0.241 4.561 4.340 -0.032 0.000 0.334 396 R C -1.495 174.663 176.300 -0.237 0.000 1.037 396 R CA -0.593 55.375 56.100 -0.221 0.000 0.920 396 R CB 0.627 30.861 30.300 -0.109 0.000 1.137 396 R HN 0.605 nan 8.270 nan 0.000 0.492 397 W N 2.634 123.977 121.300 0.072 0.000 2.210 397 W HA 0.029 4.669 4.660 -0.033 0.000 0.330 397 W C 0.710 177.247 176.519 0.030 0.000 1.334 397 W CA -0.349 57.014 57.345 0.031 0.000 1.227 397 W CB 0.432 29.900 29.460 0.013 0.000 1.178 397 W HN 0.181 nan 8.180 nan 0.000 0.560 398 Q N 3.170 123.106 119.800 0.226 0.000 2.259 398 Q HA -0.024 4.297 4.340 -0.032 0.000 0.249 398 Q C 1.502 177.607 176.000 0.175 0.000 0.914 398 Q CA -0.248 55.641 55.803 0.142 0.000 0.904 398 Q CB 0.932 29.692 28.738 0.037 0.000 1.213 398 Q HN 0.639 nan 8.270 nan 0.000 0.428 399 H N 3.475 122.606 119.070 0.101 0.000 2.289 399 H HA -0.222 4.315 4.556 -0.032 0.000 0.294 399 H C 1.542 176.924 175.328 0.091 0.000 1.095 399 H CA 2.615 58.732 56.048 0.115 0.000 1.256 399 H CB 0.464 30.285 29.762 0.099 0.000 1.359 399 H HN 0.848 nan 8.280 nan 0.000 0.487 400 E N 0.393 120.654 120.200 0.101 0.000 2.160 400 E HA -0.122 4.208 4.350 -0.032 0.000 0.195 400 E C 2.249 178.830 176.600 -0.033 0.000 0.991 400 E CA 1.041 57.452 56.400 0.018 0.000 0.810 400 E CB -0.272 29.474 29.700 0.076 0.000 0.742 400 E HN 0.473 nan 8.360 nan 0.000 0.466 401 A N 1.377 124.194 122.820 -0.005 0.000 1.968 401 A HA -0.045 4.255 4.320 -0.032 0.000 0.217 401 A C 2.457 180.017 177.584 -0.041 0.000 1.169 401 A CA 1.250 53.289 52.037 0.003 0.000 0.638 401 A CB -0.508 18.525 19.000 0.055 0.000 0.812 401 A HN 0.202 nan 8.150 nan 0.000 0.446 402 V N 0.540 120.413 119.914 -0.068 0.000 2.343 402 V HA -0.223 3.878 4.120 -0.032 0.000 0.247 402 V C 2.326 178.342 176.094 -0.131 0.000 1.051 402 V CA 1.530 63.767 62.300 -0.105 0.000 1.036 402 V CB -0.786 30.988 31.823 -0.082 0.000 0.654 402 V HN 0.487 nan 8.190 nan 0.000 0.451 403 I N 0.732 121.186 120.570 -0.194 0.000 2.394 403 I HA -0.157 3.993 4.170 -0.032 0.000 0.251 403 I C 2.519 178.601 176.117 -0.058 0.000 1.136 403 I CA 1.866 63.087 61.300 -0.132 0.000 1.425 403 I CB -1.513 36.395 38.000 -0.153 0.000 1.079 403 I HN 0.337 nan 8.210 nan 0.000 0.425 404 A N 0.461 123.254 122.820 -0.045 0.000 1.887 404 A HA 0.069 4.369 4.320 -0.032 0.000 0.212 404 A C 2.134 179.712 177.584 -0.010 0.000 1.198 404 A CA 0.680 52.713 52.037 -0.007 0.000 0.628 404 A CB -0.389 18.622 19.000 0.020 0.000 0.847 404 A HN 0.394 nan 8.150 nan 0.000 0.449 405 L N -0.730 120.473 121.223 -0.033 0.000 2.616 405 L HA 0.341 4.662 4.340 -0.032 0.000 0.229 405 L C 1.106 177.917 176.870 -0.099 0.000 1.110 405 L CA 0.053 54.862 54.840 -0.051 0.000 0.884 405 L CB -0.125 41.898 42.059 -0.060 0.000 1.115 405 L HN 0.248 nan 8.230 nan 0.000 0.481 406 A N 0.674 123.433 122.820 -0.102 0.000 2.484 406 A HA 0.270 4.570 4.320 -0.032 0.000 0.268 406 A C 0.408 177.937 177.584 -0.092 0.000 1.114 406 A CA 0.291 52.258 52.037 -0.116 0.000 0.780 406 A CB 0.202 19.138 19.000 -0.107 0.000 1.061 406 A HN 0.129 nan 8.150 nan 0.000 0.505 407 S N 3.988 119.626 115.700 -0.104 0.000 2.452 407 S HA 0.468 4.919 4.470 -0.032 0.000 0.284 407 S C -1.084 173.462 174.600 -0.090 0.000 1.171 407 S CA -1.490 56.659 58.200 -0.084 0.000 1.064 407 S CB 0.744 63.895 63.200 -0.083 0.000 0.967 407 S HN 0.646 nan 8.310 nan 0.000 0.484 408 P HA -0.033 nan 4.420 nan 0.000 0.213 408 P C -0.206 177.018 177.300 -0.127 0.000 1.169 408 P CA 0.679 63.720 63.100 -0.099 0.000 0.885 408 P CB -0.549 31.109 31.700 -0.069 0.000 0.779 409 D N 1.494 121.834 120.400 -0.100 0.000 2.422 409 D HA -0.003 4.618 4.640 -0.032 0.000 0.283 409 D C 0.236 176.483 176.300 -0.089 0.000 1.428 409 D CA 0.320 54.263 54.000 -0.095 0.000 1.117 409 D CB -0.980 39.788 40.800 -0.052 0.000 1.120 409 D HN 0.151 nan 8.370 nan 0.000 0.543 413 A N 1.105 123.898 122.820 -0.045 0.000 2.521 413 A HA 0.404 4.704 4.320 -0.032 0.000 0.237 413 A C -0.482 177.135 177.584 0.054 0.000 1.087 413 A CA 0.696 52.706 52.037 -0.046 0.000 0.777 413 A CB 0.021 18.950 19.000 -0.119 0.000 1.035 413 A HN 0.300 nan 8.150 nan 0.000 0.510 414 F N -0.041 119.830 119.950 -0.132 0.000 2.730 414 F HA 0.455 4.962 4.527 -0.033 0.000 0.335 414 F C -0.363 175.376 175.800 -0.102 0.000 1.212 414 F CA -0.542 57.393 58.000 -0.108 0.000 1.016 414 F CB 1.461 40.407 39.000 -0.089 0.000 1.290 414 F HN 0.675 nan 8.300 nan 0.000 0.495 415 E N 5.819 125.583 120.200 -0.727 0.000 2.259 415 E HA 0.385 4.716 4.350 -0.032 0.000 0.281 415 E C -1.136 175.063 176.600 -0.668 0.000 1.037 415 E CA -0.089 56.001 56.400 -0.516 0.000 0.854 415 E CB 0.805 30.313 29.700 -0.320 0.000 1.051 415 E HN 0.695 nan 8.360 nan 0.000 0.409 416 L N 3.263 124.336 121.223 -0.249 0.000 2.439 416 L HA 0.358 4.678 4.340 -0.032 0.000 0.261 416 L C 0.829 177.761 176.870 0.104 0.000 1.153 416 L CA -0.712 54.081 54.840 -0.077 0.000 0.808 416 L CB 1.064 43.137 42.059 0.023 0.000 1.126 416 L HN 0.672 nan 8.230 nan 0.000 0.460 417 T N -2.176 112.427 114.554 0.081 0.000 2.882 417 T HA 0.230 4.560 4.350 -0.032 0.000 0.287 417 T C -1.764 173.028 174.700 0.153 0.000 1.014 417 T CA -1.701 60.484 62.100 0.143 0.000 1.049 417 T CB 1.222 70.136 68.868 0.076 0.000 1.001 417 T HN 0.395 nan 8.240 nan 0.000 0.525 418 P HA -0.206 nan 4.420 nan 0.000 0.216 418 P C 1.599 178.843 177.300 -0.093 0.000 1.153 418 P CA 1.311 64.400 63.100 -0.017 0.000 0.858 418 P CB 0.085 31.864 31.700 0.132 0.000 0.789 419 Q N 1.109 120.908 119.800 -0.002 0.000 2.045 419 Q HA -0.228 4.093 4.340 -0.032 0.000 0.206 419 Q C 2.161 178.166 176.000 0.008 0.000 0.991 419 Q CA 2.163 57.971 55.803 0.009 0.000 0.851 419 Q CB -1.050 27.707 28.738 0.032 0.000 0.911 419 Q HN 0.293 nan 8.270 nan 0.000 0.418 420 E N -0.518 119.696 120.200 0.024 0.000 2.110 420 E HA -0.146 4.184 4.350 -0.032 0.000 0.193 420 E C 1.900 178.503 176.600 0.005 0.000 0.988 420 E CA 0.924 57.359 56.400 0.058 0.000 0.804 420 E CB -0.287 29.473 29.700 0.101 0.000 0.745 420 E HN 0.511 nan 8.360 nan 0.000 0.458 421 A N 1.389 124.121 122.820 -0.147 0.000 1.883 421 A HA -0.301 3.999 4.320 -0.032 0.000 0.217 421 A C 2.091 179.628 177.584 -0.079 0.000 1.186 421 A CA 1.882 53.756 52.037 -0.271 0.000 0.624 421 A CB -0.599 17.892 19.000 -0.849 0.000 0.822 421 A HN 0.306 nan 8.150 nan 0.000 0.444 422 E N -0.240 119.933 120.200 -0.046 0.000 2.070 422 E HA -0.306 4.024 4.350 -0.032 0.000 0.197 422 E C 1.905 178.553 176.600 0.080 0.000 1.004 422 E CA 1.864 58.300 56.400 0.060 0.000 0.805 422 E CB -0.229 29.483 29.700 0.022 0.000 0.744 422 E HN 0.604 nan 8.360 nan 0.000 0.451 423 E N 0.486 120.720 120.200 0.058 0.000 2.049 423 E HA -0.224 4.107 4.350 -0.032 0.000 0.198 423 E C 1.613 178.241 176.600 0.046 0.000 1.007 423 E CA 1.810 58.250 56.400 0.067 0.000 0.809 423 E CB -0.598 29.164 29.700 0.103 0.000 0.749 423 E HN 0.554 nan 8.360 nan 0.000 0.450 424 W N -0.238 120.947 121.300 -0.191 0.000 2.321 424 W HA -0.276 4.364 4.660 -0.033 0.000 0.306 424 W C 1.432 177.666 176.519 -0.476 0.000 1.217 424 W CA 1.613 58.748 57.345 -0.350 0.000 1.257 424 W CB -0.409 28.735 29.460 -0.527 0.000 1.145 424 W HN 0.241 nan 8.180 nan 0.000 0.509 425 Y N 0.360 120.595 120.300 -0.109 0.000 2.337 425 Y HA -0.039 4.491 4.550 -0.033 0.000 0.293 425 Y C 2.549 178.390 175.900 -0.098 0.000 1.123 425 Y CA 1.363 59.295 58.100 -0.280 0.000 1.201 425 Y CB -0.831 37.533 38.460 -0.160 0.000 1.011 425 Y HN -0.135 nan 8.280 nan 0.000 0.545 426 R N 0.126 120.681 120.500 0.092 0.000 2.357 426 R HA 0.023 4.344 4.340 -0.032 0.000 0.202 426 R C 1.227 177.541 176.300 0.022 0.000 1.047 426 R CA 0.828 56.967 56.100 0.064 0.000 1.034 426 R CB -0.723 29.605 30.300 0.046 0.000 0.875 426 R HN 0.423 nan 8.270 nan 0.000 0.473 427 G N 1.932 110.701 108.800 -0.051 0.000 2.272 427 G HA2 -0.307 3.633 3.960 -0.032 0.000 0.280 427 G HA3 -0.307 3.633 3.960 -0.032 0.000 0.280 427 G C -0.205 174.612 174.900 -0.138 0.000 1.067 427 G CA 0.106 45.136 45.100 -0.117 0.000 0.902 427 G HN 0.301 nan 8.290 nan 0.000 0.500 428 R N -0.376 120.046 120.500 -0.130 0.000 2.778 428 R HA 0.413 4.734 4.340 -0.032 0.000 0.277 428 R C -0.531 175.741 176.300 -0.047 0.000 0.977 428 R CA -1.053 55.015 56.100 -0.052 0.000 0.950 428 R CB 1.046 31.360 30.300 0.023 0.000 1.165 428 R HN 0.193 nan 8.270 nan 0.000 0.474 429 D N 1.008 121.423 120.400 0.025 0.000 2.382 429 D HA 0.132 4.752 4.640 -0.032 0.000 0.240 429 D C -0.401 176.010 176.300 0.186 0.000 1.146 429 D CA 0.169 54.189 54.000 0.033 0.000 0.897 429 D CB 1.207 41.995 40.800 -0.020 0.000 1.197 429 D HN -0.009 nan 8.370 nan 0.000 0.432 430 V N 2.184 122.163 119.914 0.109 0.000 2.495 430 V HA 0.198 4.299 4.120 -0.032 0.000 0.298 430 V C -0.965 175.189 176.094 0.100 0.000 1.031 430 V CA -0.770 61.678 62.300 0.246 0.000 0.871 430 V CB 1.160 33.156 31.823 0.288 0.000 0.988 430 V HN 0.345 nan 8.190 nan 0.000 0.432 431 Y N 5.584 125.936 120.300 0.087 0.000 2.587 431 Y HA 0.505 5.036 4.550 -0.032 0.000 0.328 431 Y C -1.931 174.013 175.900 0.073 0.000 0.980 431 Y CA -3.333 54.801 58.100 0.058 0.000 1.272 431 Y CB 0.585 39.069 38.460 0.040 0.000 1.094 431 Y HN 0.473 nan 8.280 nan 0.000 0.503 432 P HA 0.195 nan 4.420 nan 0.000 0.277 432 P C 0.193 177.573 177.300 0.133 0.000 1.240 432 P CA -0.368 62.844 63.100 0.187 0.000 0.798 432 P CB 1.682 33.444 31.700 0.104 0.000 0.979 433 Q N 1.047 120.940 119.800 0.155 0.000 2.049 433 Q HA -0.099 4.222 4.340 -0.032 0.000 0.198 433 Q C 2.035 178.090 176.000 0.091 0.000 0.971 433 Q CA 1.716 57.584 55.803 0.108 0.000 0.833 433 Q CB -0.426 28.373 28.738 0.102 0.000 0.896 433 Q HN 0.636 nan 8.270 nan 0.000 0.434 434 A N 1.459 124.367 122.820 0.146 0.000 1.849 434 A HA -0.033 4.267 4.320 -0.032 0.000 0.216 434 A C 1.150 178.731 177.584 -0.005 0.000 1.225 434 A CA 1.961 54.073 52.037 0.125 0.000 0.653 434 A CB -1.020 18.178 19.000 0.330 0.000 0.844 434 A HN 0.707 nan 8.150 nan 0.000 0.453 435 A N -1.852 120.876 122.820 -0.154 0.000 2.611 435 A HA 0.090 4.390 4.320 -0.032 0.000 0.281 435 A C -1.183 176.254 177.584 -0.244 0.000 1.396 435 A CA 0.166 52.061 52.037 -0.237 0.000 0.724 435 A CB -2.733 16.205 19.000 -0.103 0.000 1.126 435 A HN 0.641 nan 8.150 nan 0.000 0.384 436 P HA 0.214 nan 4.420 nan 0.000 0.273 436 P C 1.256 178.463 177.300 -0.155 0.000 1.252 436 P CA 0.357 63.309 63.100 -0.247 0.000 0.809 436 P CB 0.689 32.196 31.700 -0.321 0.000 1.017 437 V N -0.673 119.182 119.914 -0.098 0.000 2.685 437 V HA 0.129 4.230 4.120 -0.032 0.000 0.244 437 V C 1.059 177.118 176.094 -0.058 0.000 1.054 437 V CA 1.139 63.400 62.300 -0.065 0.000 1.076 437 V CB -0.785 31.013 31.823 -0.042 0.000 0.725 437 V HN 0.746 nan 8.190 nan 0.000 0.467 438 A N 0.405 123.189 122.820 -0.060 0.000 2.555 438 A HA -0.015 4.285 4.320 -0.032 0.000 0.233 438 A C 1.152 178.711 177.584 -0.041 0.000 1.060 438 A CA 0.825 52.835 52.037 -0.045 0.000 0.759 438 A CB -0.178 18.794 19.000 -0.046 0.000 0.995 438 A HN 0.594 nan 8.150 nan 0.000 0.506 439 D N 0.220 120.609 120.400 -0.017 0.000 2.213 439 D HA -0.024 4.597 4.640 -0.032 0.000 0.205 439 D C -0.532 175.774 176.300 0.011 0.000 0.961 439 D CA 1.145 55.142 54.000 -0.004 0.000 0.853 439 D CB 0.209 41.017 40.800 0.013 0.000 0.967 439 D HN 0.610 nan 8.370 nan 0.000 0.496 440 D N 0.219 120.629 120.400 0.016 0.000 2.425 440 D HA 0.251 4.872 4.640 -0.032 0.000 0.240 440 D C -1.069 175.229 176.300 -0.005 0.000 1.080 440 D CA -0.271 53.748 54.000 0.031 0.000 0.836 440 D CB 2.758 43.594 40.800 0.060 0.000 1.125 440 D HN -0.277 nan 8.370 nan 0.000 0.525 441 V N 4.181 124.092 119.914 -0.003 0.000 2.409 441 V HA 0.411 4.512 4.120 -0.032 0.000 0.291 441 V C -0.913 175.166 176.094 -0.025 0.000 1.020 441 V CA -0.873 61.411 62.300 -0.027 0.000 0.848 441 V CB 1.518 33.305 31.823 -0.061 0.000 0.990 441 V HN 0.450 nan 8.190 nan 0.000 0.430 442 L N 7.778 128.975 121.223 -0.043 0.000 2.315 442 L HA 0.452 4.773 4.340 -0.032 0.000 0.283 442 L C -0.348 176.478 176.870 -0.074 0.000 1.089 442 L CA 0.535 55.333 54.840 -0.071 0.000 0.833 442 L CB 1.204 43.208 42.059 -0.092 0.000 1.170 442 L HN 0.512 nan 8.230 nan 0.000 0.442 443 V N 4.561 124.381 119.914 -0.156 0.000 2.333 443 V HA 0.420 4.520 4.120 -0.032 0.000 0.274 443 V C 0.383 176.328 176.094 -0.248 0.000 1.028 443 V CA -0.308 61.848 62.300 -0.240 0.000 0.851 443 V CB 1.071 32.547 31.823 -0.579 0.000 1.000 443 V HN 0.886 nan 8.190 nan 0.000 0.456 444 T N 2.297 116.754 114.554 -0.162 0.000 2.888 444 T HA 0.771 5.102 4.350 -0.032 0.000 0.284 444 T C -1.007 173.694 174.700 0.001 0.000 1.017 444 T CA -0.612 61.429 62.100 -0.098 0.000 1.022 444 T CB 1.918 70.719 68.868 -0.111 0.000 1.013 444 T HN 0.327 nan 8.240 nan 0.000 0.465 445 F N 3.647 123.547 119.950 -0.082 0.000 2.547 445 F HA 0.347 4.855 4.527 -0.033 0.000 0.316 445 F C 0.737 176.561 175.800 0.040 0.000 1.121 445 F CA -0.734 57.251 58.000 -0.025 0.000 0.911 445 F CB 1.802 40.795 39.000 -0.012 0.000 1.179 445 F HN 0.933 nan 8.300 nan 0.000 0.443 446 Q N 4.898 124.202 119.800 -0.826 0.000 2.437 446 Q HA -0.338 3.983 4.340 -0.032 0.000 0.274 446 Q C -0.508 175.420 176.000 -0.120 0.000 1.165 446 Q CA 1.580 57.068 55.803 -0.525 0.000 0.925 446 Q CB -2.561 25.859 28.738 -0.531 0.000 1.327 446 Q HN 1.042 nan 8.270 nan 0.000 0.505 447 H N -2.169 116.775 119.070 -0.210 0.000 2.976 447 H HA -0.093 4.443 4.556 -0.033 0.000 0.273 447 H C -0.542 174.741 175.328 -0.076 0.000 1.259 447 H CA 1.446 57.416 56.048 -0.130 0.000 1.122 447 H CB -1.227 28.462 29.762 -0.121 0.000 1.298 447 H HN 0.580 nan 8.280 nan 0.000 0.379 448 Q N 0.558 120.391 119.800 0.056 0.000 2.353 448 Q HA 0.344 4.665 4.340 -0.032 0.000 0.268 448 Q C -2.507 173.505 176.000 0.020 0.000 1.045 448 Q CA -1.937 53.895 55.803 0.050 0.000 0.811 448 Q CB 2.657 31.449 28.738 0.090 0.000 1.305 448 Q HN 0.098 nan 8.270 nan 0.000 0.447 449 P HA 0.017 nan 4.420 nan 0.000 0.263 449 P C 0.023 177.312 177.300 -0.019 0.000 1.195 449 P CA 0.211 63.285 63.100 -0.043 0.000 0.762 449 P CB 0.806 32.475 31.700 -0.051 0.000 0.799 450 I N 2.060 122.583 120.570 -0.078 0.000 4.403 450 I HA 0.400 4.550 4.170 -0.032 0.000 0.331 450 I C 0.833 176.962 176.117 0.020 0.000 1.327 450 I CA 0.574 61.844 61.300 -0.051 0.000 1.175 450 I CB 0.611 38.509 38.000 -0.169 0.000 1.165 450 I HN 0.637 nan 8.210 nan 0.000 0.413 451 G N 0.154 108.930 108.800 -0.040 0.000 2.325 451 G HA2 0.414 4.355 3.960 -0.032 0.000 0.297 451 G HA3 0.414 4.355 3.960 -0.032 0.000 0.297 451 G C -2.373 172.597 174.900 0.117 0.000 1.448 451 G CA -0.711 44.549 45.100 0.266 0.000 0.838 451 G HN -0.095 nan 8.290 nan 0.000 0.579 452 L N 0.999 122.396 121.223 0.289 0.000 2.343 452 L HA 0.871 5.192 4.340 -0.032 0.000 0.278 452 L C 0.324 177.374 176.870 0.299 0.000 0.996 452 L CA -0.392 54.561 54.840 0.190 0.000 0.831 452 L CB 1.269 43.411 42.059 0.138 0.000 1.232 452 L HN 1.280 nan 8.230 nan 0.000 0.413 453 A N 4.624 127.590 122.820 0.244 0.000 2.337 453 A HA 0.685 4.985 4.320 -0.032 0.000 0.329 453 A C -0.512 177.163 177.584 0.152 0.000 1.146 453 A CA -0.715 51.500 52.037 0.296 0.000 0.800 453 A CB 0.804 20.019 19.000 0.358 0.000 1.220 453 A HN 0.676 nan 8.150 nan 0.000 0.472 454 K N 0.343 120.817 120.400 0.123 0.000 2.185 454 K HA 0.301 4.601 4.320 -0.032 0.000 0.271 454 K C 1.077 177.692 176.600 0.024 0.000 1.013 454 K CA -0.380 55.947 56.287 0.067 0.000 0.943 454 K CB 0.835 33.370 32.500 0.058 0.000 0.998 454 K HN 0.724 nan 8.250 nan 0.000 0.468 455 R N 2.876 123.373 120.500 -0.006 0.000 2.223 455 R HA 0.125 4.446 4.340 -0.032 0.000 0.198 455 R C -0.164 176.098 176.300 -0.065 0.000 0.984 455 R CA 0.297 56.368 56.100 -0.047 0.000 1.018 455 R CB -0.175 30.087 30.300 -0.063 0.000 0.945 455 R HN 0.766 nan 8.270 nan 0.000 0.479 456 I N 1.849 122.394 120.570 -0.042 0.000 2.831 456 I HA -0.374 3.777 4.170 -0.032 0.000 0.126 456 I C 1.073 177.156 176.117 -0.057 0.000 0.894 456 I CA 0.927 62.200 61.300 -0.044 0.000 2.782 456 I CB -1.519 36.453 38.000 -0.046 0.000 0.649 456 I HN 0.637 nan 8.210 nan 0.000 0.351 457 G N 3.867 112.641 108.800 -0.044 0.000 3.274 457 G HA2 -0.382 3.559 3.960 -0.032 0.000 0.313 457 G HA3 -0.382 3.559 3.960 -0.032 0.000 0.313 457 G C 0.501 175.367 174.900 -0.057 0.000 1.295 457 G CA 0.539 45.616 45.100 -0.038 0.000 1.004 457 G HN 0.804 nan 8.290 nan 0.000 0.614 458 S N 0.147 115.807 115.700 -0.067 0.000 2.843 458 S HA 0.429 4.879 4.470 -0.032 0.000 0.249 458 S C 1.198 175.687 174.600 -0.185 0.000 1.047 458 S CA 0.596 58.746 58.200 -0.083 0.000 1.042 458 S CB 1.345 64.538 63.200 -0.012 0.000 0.936 458 S HN 0.620 nan 8.310 nan 0.000 0.531 459 R N 0.851 121.193 120.500 -0.263 0.000 2.164 459 R HA 0.345 4.665 4.340 -0.032 0.000 0.198 459 R C -0.746 175.313 176.300 -0.402 0.000 1.028 459 R CA 0.149 55.933 56.100 -0.526 0.000 1.083 459 R CB 0.093 30.158 30.300 -0.393 0.000 1.026 459 R HN 0.229 nan 8.270 nan 0.000 0.514 460 L N 2.287 123.397 121.223 -0.187 0.000 3.177 460 L HA -0.196 4.125 4.340 -0.032 0.000 0.640 460 L C -0.595 176.274 176.870 -0.002 0.000 1.018 460 L CA 1.043 55.857 54.840 -0.044 0.000 1.288 460 L CB -0.803 41.265 42.059 0.015 0.000 1.594 460 L HN 0.222 nan 8.230 nan 0.000 0.796 461 K N 2.664 123.069 120.400 0.008 0.000 2.298 461 K HA 0.216 4.517 4.320 -0.032 0.000 0.280 461 K C 0.510 177.060 176.600 -0.083 0.000 1.032 461 K CA -0.452 55.814 56.287 -0.036 0.000 0.958 461 K CB 0.514 32.996 32.500 -0.031 0.000 0.978 461 K HN 0.530 nan 8.250 nan 0.000 0.472 462 N N 1.221 119.754 118.700 -0.279 0.000 2.475 462 N HA -0.051 4.670 4.740 -0.032 0.000 0.267 462 N C -0.135 175.109 175.510 -0.444 0.000 1.169 462 N CA -0.020 52.613 53.050 -0.694 0.000 0.947 462 N CB 0.572 38.708 38.487 -0.584 0.000 1.061 462 N HN 0.584 nan 8.380 nan 0.000 0.466 463 S N 2.515 117.935 115.700 -0.466 0.000 2.730 463 S HA 0.051 4.501 4.470 -0.032 0.000 0.244 463 S C -0.149 174.467 174.600 0.027 0.000 1.022 463 S CA -0.606 57.562 58.200 -0.054 0.000 1.014 463 S CB -0.382 62.942 63.200 0.205 0.000 0.963 463 S HN 0.615 nan 8.310 nan 0.000 0.540 464 Y N 4.075 124.172 120.300 -0.340 0.000 2.605 464 Y HA 0.305 4.836 4.550 -0.032 0.000 0.336 464 Y C -2.461 173.303 175.900 -0.226 0.000 1.111 464 Y CA -2.082 55.865 58.100 -0.255 0.000 1.422 464 Y CB 0.274 38.478 38.460 -0.427 0.000 1.193 464 Y HN 0.155 nan 8.280 nan 0.000 0.526 465 P HA -0.059 nan 4.420 nan 0.000 0.260 465 P C -0.339 176.726 177.300 -0.391 0.000 1.172 465 P CA 0.433 63.282 63.100 -0.419 0.000 0.760 465 P CB 0.738 32.159 31.700 -0.465 0.000 0.773 466 R N 3.216 123.594 120.500 -0.203 0.000 2.115 466 R HA -0.164 4.157 4.340 -0.032 0.000 0.230 466 R C 1.908 178.140 176.300 -0.114 0.000 1.111 466 R CA 1.480 57.502 56.100 -0.130 0.000 0.976 466 R CB -0.929 29.326 30.300 -0.075 0.000 0.870 466 R HN 0.596 nan 8.270 nan 0.000 0.445 467 E N 0.925 121.057 120.200 -0.115 0.000 2.394 467 E HA -0.230 4.101 4.350 -0.032 0.000 0.202 467 E C 1.114 177.658 176.600 -0.093 0.000 1.029 467 E CA 1.288 57.640 56.400 -0.080 0.000 0.855 467 E CB -0.175 29.490 29.700 -0.058 0.000 0.770 467 E HN 0.401 nan 8.360 nan 0.000 0.527 468 L N 0.541 121.656 121.223 -0.180 0.000 2.781 468 L HA 0.155 4.476 4.340 -0.032 0.000 0.245 468 L C 0.134 177.032 176.870 0.047 0.000 1.118 468 L CA -0.259 54.480 54.840 -0.169 0.000 0.918 468 L CB 1.358 43.114 42.059 -0.506 0.000 1.246 468 L HN 0.107 nan 8.230 nan 0.000 0.526 469 V N 0.278 120.230 119.914 0.064 0.000 2.452 469 V HA 0.094 4.195 4.120 -0.032 0.000 0.286 469 V C 0.652 176.869 176.094 0.204 0.000 0.995 469 V CA -0.681 61.781 62.300 0.270 0.000 1.116 469 V CB -0.243 31.671 31.823 0.151 0.000 0.954 469 V HN 0.289 nan 8.190 nan 0.000 0.473 470 R N 3.853 124.513 120.500 0.266 0.000 2.585 470 R HA 0.049 4.370 4.340 -0.032 0.000 0.275 470 R C 0.696 177.052 176.300 0.094 0.000 1.018 470 R CA 0.691 56.879 56.100 0.146 0.000 1.072 470 R CB 0.285 30.655 30.300 0.117 0.000 0.953 470 R HN 0.874 nan 8.270 nan 0.000 0.419 471 D N 1.773 122.209 120.400 0.060 0.000 2.277 471 D HA 0.110 4.731 4.640 -0.032 0.000 0.209 471 D C 0.825 177.146 176.300 0.035 0.000 0.970 471 D CA 1.420 55.446 54.000 0.042 0.000 0.874 471 D CB 0.337 41.155 40.800 0.031 0.000 0.982 471 D HN 0.617 nan 8.370 nan 0.000 0.504 472 G N -0.033 108.786 108.800 0.031 0.000 2.968 472 G HA2 0.256 4.197 3.960 -0.032 0.000 0.206 472 G HA3 0.256 4.197 3.960 -0.032 0.000 0.206 472 G C 0.041 174.956 174.900 0.026 0.000 2.051 472 G CA -0.075 45.040 45.100 0.024 0.000 0.773 472 G HN 0.192 nan 8.290 nan 0.000 0.741 473 K N -0.275 120.138 120.400 0.022 0.000 2.400 473 K HA 0.762 5.063 4.320 -0.032 0.000 0.246 473 K C -1.551 175.063 176.600 0.025 0.000 0.995 473 K CA -0.602 55.700 56.287 0.026 0.000 0.840 473 K CB 1.854 34.370 32.500 0.026 0.000 1.293 473 K HN 0.384 nan 8.250 nan 0.000 0.445 474 L N 0.000 121.243 121.223 0.033 0.000 2.949 474 L HA 0.000 4.321 4.340 -0.032 0.000 0.249 474 L CA 0.000 54.861 54.840 0.035 0.000 0.813 474 L CB 0.000 42.074 42.059 0.025 0.000 0.961 474 L HN 0.000 nan 8.230 nan 0.000 0.502