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 2a9a_1_A DATA FIRST_RESID 96 DATA SEQUENCE PFAGDPPRHP GLRVNSQKPF NAEPPAELLA ERFLTPNELF FTRNHLPVPA DATA SEQUENCE VEPSSYRLRV DGPGGGTLSL SLAELRSRFP KHEVTATLQC AGNRRSEMSR DATA SEQUENCE VRPVKGLPWD IGAISTARWG GARLRDVLLH AGFPEELQGE WHVCFEGLDA DATA SEQUENCE DPGGAPYGAS IPYGRALSPA ADVLLAYEMN GTELPRDHGF PVRVVVPGVV DATA SEQUENCE GARSVKWLRR VAVSPDESPS HWQQNDYKGF SPCVDWDTVD YRTAPAIQEL DATA SEQUENCE PVQSAVTQPR PGAAVPPGEL TVKGYAWSGG GREVVRVDVS LDGGRTWKVA DATA SEQUENCE RLMGDKAPPG RAWAWALWEL TVPVEAGTEL EIVCKAVDSS YNVQPDSVAP DATA SEQUENCE IWNLRGVLST AWHRVRVSVQ D 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 96 P HA 0.000 nan 4.420 nan 0.000 0.216 96 P C 0.000 177.031 177.300 -0.449 0.000 1.155 96 P CA 0.000 62.940 63.100 -0.267 0.000 0.800 96 P CB 0.000 31.471 31.700 -0.381 0.000 0.726 97 F N 0.701 120.645 119.950 -0.009 0.000 2.641 97 F HA 0.579 5.265 4.527 0.265 0.000 0.302 97 F C 2.009 177.796 175.800 -0.023 0.000 1.098 97 F CA 0.378 58.370 58.000 -0.013 0.000 1.318 97 F CB -0.001 39.005 39.000 0.009 0.000 1.035 97 F HN 0.023 nan 8.300 nan 0.000 0.551 98 A N 0.386 123.247 122.820 0.069 0.000 1.933 98 A HA -0.052 4.450 4.320 0.303 0.000 0.218 98 A C 2.453 180.039 177.584 0.003 0.000 1.175 98 A CA 1.731 53.788 52.037 0.034 0.000 0.628 98 A CB -1.164 17.842 19.000 0.010 0.000 0.814 98 A HN 0.397 nan 8.150 nan 0.000 0.444 99 G N -0.659 108.125 108.800 -0.026 0.000 3.088 99 G HA2 0.220 4.362 3.960 0.303 0.000 0.212 99 G HA3 0.220 4.362 3.960 0.303 0.000 0.212 99 G C -0.296 174.576 174.900 -0.045 0.000 1.173 99 G CA 0.028 45.101 45.100 -0.044 0.000 0.779 99 G HN 0.363 nan 8.290 nan 0.000 0.540 100 D N 1.459 121.851 120.400 -0.013 0.000 2.400 100 D HA 0.244 5.066 4.640 0.303 0.000 0.238 100 D C -1.648 174.621 176.300 -0.053 0.000 1.157 100 D CA -0.975 53.019 54.000 -0.011 0.000 0.889 100 D CB 1.162 42.004 40.800 0.069 0.000 1.199 100 D HN 0.102 nan 8.370 nan 0.000 0.436 101 P HA 0.213 nan 4.420 nan 0.000 0.274 101 P C -2.603 174.606 177.300 -0.153 0.000 1.237 101 P CA -1.186 61.858 63.100 -0.094 0.000 0.793 101 P CB -0.205 31.451 31.700 -0.073 0.000 0.977 102 P HA 0.295 nan 4.420 nan 0.000 0.271 102 P C -0.568 176.622 177.300 -0.184 0.000 1.218 102 P CA -0.021 62.988 63.100 -0.151 0.000 0.780 102 P CB 0.672 32.315 31.700 -0.095 0.000 0.901 103 R N 0.090 120.450 120.500 -0.233 0.000 2.744 103 R HA 0.391 4.912 4.340 0.303 0.000 0.279 103 R C -0.239 176.042 176.300 -0.032 0.000 0.977 103 R CA -0.868 55.126 56.100 -0.176 0.000 0.906 103 R CB 0.466 30.487 30.300 -0.465 0.000 1.197 103 R HN 0.521 nan 8.270 nan 0.000 0.463 104 H N 3.510 122.594 119.070 0.025 0.000 3.001 104 H HA 0.006 4.743 4.556 0.302 0.000 0.334 104 H C -1.323 174.060 175.328 0.092 0.000 1.034 104 H CA -0.492 55.592 56.048 0.059 0.000 1.420 104 H CB 1.056 30.867 29.762 0.082 0.000 1.405 104 H HN 0.366 nan 8.280 nan 0.000 0.593 105 P HA -0.016 nan 4.420 nan 0.000 0.220 105 P C 1.513 178.873 177.300 0.101 0.000 1.154 105 P CA 1.294 64.377 63.100 -0.028 0.000 0.830 105 P CB 0.043 31.677 31.700 -0.111 0.000 0.803 106 G N 1.361 110.276 108.800 0.191 0.000 2.503 106 G HA2 -0.210 3.932 3.960 0.303 0.000 0.221 106 G HA3 -0.210 3.932 3.960 0.303 0.000 0.221 106 G C 0.834 175.875 174.900 0.235 0.000 1.131 106 G CA 0.326 45.591 45.100 0.275 0.000 0.756 106 G HN 0.250 nan 8.290 nan 0.000 0.572 107 L N 0.856 122.251 121.223 0.286 0.000 2.578 107 L HA 0.076 4.598 4.340 0.303 0.000 0.279 107 L C 0.719 177.696 176.870 0.177 0.000 1.227 107 L CA -0.190 54.794 54.840 0.240 0.000 0.900 107 L CB 0.454 42.702 42.059 0.315 0.000 1.144 107 L HN 0.162 nan 8.230 nan 0.000 0.496 108 R N 3.056 123.638 120.500 0.136 0.000 2.291 108 R HA 0.214 4.736 4.340 0.303 0.000 0.333 108 R C -0.817 175.497 176.300 0.023 0.000 1.082 108 R CA -0.408 55.740 56.100 0.081 0.000 0.948 108 R CB 0.310 30.657 30.300 0.077 0.000 1.009 108 R HN 0.332 nan 8.270 nan 0.000 0.460 109 V N 4.367 124.275 119.914 -0.012 0.000 2.385 109 V HA 0.012 4.314 4.120 0.303 0.000 0.269 109 V C 0.812 176.800 176.094 -0.176 0.000 1.043 109 V CA -0.408 61.814 62.300 -0.130 0.000 0.906 109 V CB 1.077 32.875 31.823 -0.041 0.000 0.995 109 V HN 0.828 nan 8.190 nan 0.000 0.467 110 N N 2.224 120.744 118.700 -0.301 0.000 2.254 110 N HA 0.104 5.026 4.740 0.303 0.000 0.190 110 N C 0.192 175.520 175.510 -0.303 0.000 1.107 110 N CA 0.022 52.883 53.050 -0.314 0.000 0.869 110 N CB 0.797 39.012 38.487 -0.454 0.000 0.983 110 N HN 0.483 nan 8.380 nan 0.000 0.487 111 S N -0.856 114.648 115.700 -0.327 0.000 2.584 111 S HA 0.220 4.872 4.470 0.303 0.000 0.280 111 S C -0.541 173.908 174.600 -0.251 0.000 1.162 111 S CA -0.542 57.500 58.200 -0.263 0.000 0.951 111 S CB 1.491 64.534 63.200 -0.260 0.000 1.108 111 S HN 0.086 nan 8.310 nan 0.000 0.464 112 Q N 3.137 122.856 119.800 -0.134 0.000 2.226 112 Q HA 0.375 4.897 4.340 0.303 0.000 0.199 112 Q C -0.475 175.475 176.000 -0.083 0.000 0.945 112 Q CA 1.277 57.090 55.803 0.017 0.000 0.861 112 Q CB 0.346 29.101 28.738 0.027 0.000 0.953 112 Q HN 0.618 nan 8.270 nan 0.000 0.490 113 K N 1.799 121.999 120.400 -0.332 0.000 2.621 113 K HA 0.358 4.860 4.320 0.303 0.000 0.233 113 K C -2.567 173.533 176.600 -0.833 0.000 0.972 113 K CA -1.742 53.996 56.287 -0.915 0.000 0.988 113 K CB 1.924 33.893 32.500 -0.885 0.000 1.187 113 K HN 0.147 nan 8.250 nan 0.000 0.471 114 P HA 0.100 nan 4.420 nan 0.000 0.276 114 P C -0.699 176.543 177.300 -0.096 0.000 1.252 114 P CA -0.536 62.368 63.100 -0.327 0.000 0.802 114 P CB 0.606 32.401 31.700 0.158 0.000 1.035 115 F N 2.353 122.270 119.950 -0.056 0.000 2.471 115 F HA 0.228 4.938 4.527 0.304 0.000 0.365 115 F C 0.159 175.972 175.800 0.022 0.000 1.095 115 F CA 0.109 58.094 58.000 -0.024 0.000 1.174 115 F CB -0.089 38.923 39.000 0.021 0.000 1.105 115 F HN 0.159 nan 8.300 nan 0.000 0.535 116 N N 5.155 123.453 118.700 -0.671 0.000 2.295 116 N HA 0.736 5.658 4.740 0.303 0.000 0.293 116 N C -1.524 173.609 175.510 -0.628 0.000 1.040 116 N CA -0.629 52.160 53.050 -0.435 0.000 0.840 116 N CB 2.004 40.322 38.487 -0.281 0.000 1.468 116 N HN 0.623 nan 8.380 nan 0.000 0.478 117 A N 1.379 124.076 122.820 -0.204 0.000 2.604 117 A HA 0.541 5.043 4.320 0.303 0.000 0.295 117 A C -1.375 176.442 177.584 0.389 0.000 1.067 117 A CA -0.807 51.200 52.037 -0.050 0.000 0.683 117 A CB 1.736 20.624 19.000 -0.187 0.000 1.281 117 A HN 0.702 nan 8.150 nan 0.000 0.407 118 E N 1.668 122.082 120.200 0.356 0.000 2.288 118 E HA 0.709 5.241 4.350 0.303 0.000 0.268 118 E C -2.936 173.798 176.600 0.223 0.000 0.885 118 E CA -2.243 54.372 56.400 0.358 0.000 0.767 118 E CB 2.742 32.678 29.700 0.393 0.000 1.220 118 E HN 0.347 nan 8.360 nan 0.000 0.427 119 P HA 0.164 nan 4.420 nan 0.000 0.271 119 P C -2.453 174.911 177.300 0.107 0.000 1.218 119 P CA -1.322 61.854 63.100 0.127 0.000 0.780 119 P CB -0.164 31.586 31.700 0.085 0.000 0.901 120 P HA 0.014 nan 4.420 nan 0.000 0.269 120 P C 0.846 178.189 177.300 0.070 0.000 1.209 120 P CA 0.164 63.314 63.100 0.083 0.000 0.776 120 P CB 0.193 31.939 31.700 0.076 0.000 0.876 121 A N 3.668 126.531 122.820 0.072 0.000 1.940 121 A HA -0.215 4.286 4.320 0.303 0.000 0.219 121 A C 1.713 179.321 177.584 0.039 0.000 1.176 121 A CA 1.515 53.592 52.037 0.067 0.000 0.631 121 A CB -0.986 18.060 19.000 0.077 0.000 0.814 121 A HN 0.660 nan 8.150 nan 0.000 0.446 122 E N 0.328 120.548 120.200 0.034 0.000 2.409 122 E HA -0.097 4.435 4.350 0.303 0.000 0.198 122 E C 1.518 178.124 176.600 0.009 0.000 1.024 122 E CA 0.939 57.348 56.400 0.015 0.000 0.861 122 E CB -0.414 29.297 29.700 0.019 0.000 0.788 122 E HN 0.694 nan 8.360 nan 0.000 0.521 123 L N -0.063 121.173 121.223 0.021 0.000 2.575 123 L HA 0.187 4.709 4.340 0.303 0.000 0.228 123 L C 2.494 179.375 176.870 0.019 0.000 1.075 123 L CA -0.140 54.709 54.840 0.015 0.000 0.867 123 L CB -0.133 41.938 42.059 0.020 0.000 1.097 123 L HN 0.029 nan 8.230 nan 0.000 0.485 124 L N 0.958 122.200 121.223 0.032 0.000 1.997 124 L HA -0.218 4.304 4.340 0.303 0.000 0.216 124 L C 1.830 178.732 176.870 0.053 0.000 1.074 124 L CA 2.044 56.918 54.840 0.058 0.000 0.763 124 L CB -0.090 42.015 42.059 0.076 0.000 0.890 124 L HN 0.333 nan 8.230 nan 0.000 0.434 125 A N -1.833 120.953 122.820 -0.058 0.000 2.630 125 A HA 0.125 4.627 4.320 0.303 0.000 0.290 125 A C 1.461 178.969 177.584 -0.126 0.000 1.267 125 A CA -0.387 51.530 52.037 -0.200 0.000 0.950 125 A CB -0.028 18.754 19.000 -0.365 0.000 1.144 125 A HN 0.315 nan 8.150 nan 0.000 0.527 126 E N 0.580 120.752 120.200 -0.046 0.000 2.072 126 E HA -0.052 4.480 4.350 0.303 0.000 0.191 126 E C 0.343 176.946 176.600 0.004 0.000 0.985 126 E CA 0.862 57.245 56.400 -0.028 0.000 0.801 126 E CB 0.107 29.801 29.700 -0.011 0.000 0.750 126 E HN 0.373 nan 8.360 nan 0.000 0.452 127 R N -0.446 120.082 120.500 0.045 0.000 2.778 127 R HA 0.174 4.696 4.340 0.303 0.000 0.277 127 R C 0.893 177.313 176.300 0.199 0.000 0.977 127 R CA -0.563 55.599 56.100 0.104 0.000 0.950 127 R CB 0.434 30.783 30.300 0.082 0.000 1.165 127 R HN 0.025 nan 8.270 nan 0.000 0.474 128 F N 1.321 121.347 119.950 0.126 0.000 2.102 128 F HA 0.021 4.731 4.527 0.305 0.000 0.298 128 F C 0.384 176.397 175.800 0.355 0.000 1.105 128 F CA 1.331 59.492 58.000 0.269 0.000 1.239 128 F CB 0.211 39.314 39.000 0.172 0.000 0.991 128 F HN 0.243 nan 8.300 nan 0.000 0.474 129 L N 1.490 122.743 121.223 0.050 0.000 2.275 129 L HA 0.263 4.785 4.340 0.303 0.000 0.288 129 L C 0.117 176.956 176.870 -0.053 0.000 1.046 129 L CA -0.663 54.102 54.840 -0.125 0.000 0.805 129 L CB 1.205 43.214 42.059 -0.083 0.000 1.193 129 L HN -0.140 nan 8.230 nan 0.000 0.426 130 T N 3.982 118.466 114.554 -0.116 0.000 2.814 130 T HA 0.204 4.736 4.350 0.303 0.000 0.297 130 T C -2.286 172.392 174.700 -0.037 0.000 0.956 130 T CA -1.055 61.010 62.100 -0.058 0.000 1.123 130 T CB 0.658 69.424 68.868 -0.170 0.000 0.902 130 T HN 0.313 nan 8.240 nan 0.000 0.528 131 P HA 0.102 nan 4.420 nan 0.000 0.266 131 P C 0.713 177.990 177.300 -0.038 0.000 1.195 131 P CA -0.252 62.819 63.100 -0.048 0.000 0.768 131 P CB 0.470 32.142 31.700 -0.047 0.000 0.838 132 N N 2.422 121.068 118.700 -0.091 0.000 2.132 132 N HA -0.204 4.718 4.740 0.303 0.000 0.191 132 N C 1.292 176.808 175.510 0.009 0.000 1.015 132 N CA 1.380 54.358 53.050 -0.121 0.000 0.864 132 N CB -0.397 38.006 38.487 -0.140 0.000 1.006 132 N HN 0.585 nan 8.380 nan 0.000 0.430 133 E N 0.015 120.226 120.200 0.019 0.000 2.427 133 E HA -0.036 4.496 4.350 0.303 0.000 0.196 133 E C 1.371 178.020 176.600 0.082 0.000 1.028 133 E CA 0.455 56.896 56.400 0.068 0.000 0.864 133 E CB -0.153 29.570 29.700 0.038 0.000 0.813 133 E HN 0.424 nan 8.360 nan 0.000 0.514 134 L N -0.281 120.973 121.223 0.052 0.000 2.731 134 L HA 0.278 4.800 4.340 0.303 0.000 0.240 134 L C 0.472 177.427 176.870 0.143 0.000 1.120 134 L CA -0.551 54.333 54.840 0.073 0.000 0.913 134 L CB 0.202 42.251 42.059 -0.017 0.000 1.213 134 L HN -0.064 nan 8.230 nan 0.000 0.515 135 F N 2.644 122.575 119.950 -0.032 0.000 2.608 135 F HA 0.018 4.724 4.527 0.299 0.000 0.380 135 F C 0.764 176.595 175.800 0.052 0.000 1.083 135 F CA -1.087 56.853 58.000 -0.101 0.000 1.266 135 F CB 0.262 39.024 39.000 -0.397 0.000 1.076 135 F HN -0.018 nan 8.300 nan 0.000 0.574 136 F N 3.596 123.519 119.950 -0.046 0.000 2.586 136 F HA 0.406 5.110 4.527 0.294 0.000 0.344 136 F C -0.231 175.784 175.800 0.358 0.000 1.188 136 F CA -0.635 57.419 58.000 0.090 0.000 1.359 136 F CB -0.223 38.678 39.000 -0.166 0.000 1.129 136 F HN 0.380 nan 8.300 nan 0.000 0.609 137 T N 4.231 118.931 114.554 0.243 0.000 2.879 137 T HA 0.406 4.938 4.350 0.303 0.000 0.290 137 T C -0.959 173.876 174.700 0.226 0.000 0.993 137 T CA -0.775 61.401 62.100 0.128 0.000 0.975 137 T CB 1.238 70.250 68.868 0.239 0.000 0.981 137 T HN 0.667 nan 8.240 nan 0.000 0.439 138 R N 3.371 123.932 120.500 0.102 0.000 2.468 138 R HA 0.380 4.902 4.340 0.303 0.000 0.302 138 R C -1.521 174.798 176.300 0.032 0.000 1.041 138 R CA -0.581 55.625 56.100 0.177 0.000 0.899 138 R CB 0.692 31.154 30.300 0.269 0.000 1.167 138 R HN 0.572 nan 8.270 nan 0.000 0.483 139 N N 2.460 121.188 118.700 0.047 0.000 2.354 139 N HA 0.219 5.141 4.740 0.303 0.000 0.287 139 N C 0.053 175.570 175.510 0.012 0.000 1.016 139 N CA -0.485 52.626 53.050 0.101 0.000 0.871 139 N CB 1.515 40.149 38.487 0.245 0.000 1.299 139 N HN 0.519 nan 8.380 nan 0.000 0.482 140 H N 0.465 119.546 119.070 0.019 0.000 2.544 140 H HA 0.347 5.040 4.556 0.229 0.000 0.269 140 H C 0.070 175.503 175.328 0.174 0.000 0.970 140 H CA 0.749 56.834 56.048 0.061 0.000 1.219 140 H CB 0.577 30.266 29.762 -0.122 0.000 1.421 140 H HN 0.333 nan 8.280 nan 0.000 0.555 141 L N -1.019 120.373 121.223 0.282 0.000 2.397 141 L HA 0.440 4.962 4.340 0.303 0.000 0.251 141 L C -2.512 174.464 176.870 0.176 0.000 1.064 141 L CA -2.627 52.359 54.840 0.243 0.000 0.859 141 L CB 2.050 44.194 42.059 0.142 0.000 1.468 141 L HN -0.221 nan 8.230 nan 0.000 0.411 142 P HA 0.080 nan 4.420 nan 0.000 0.269 142 P C -0.792 176.326 177.300 -0.303 0.000 1.209 142 P CA -0.240 62.677 63.100 -0.305 0.000 0.776 142 P CB 0.545 31.834 31.700 -0.685 0.000 0.876 143 V N 5.798 125.549 119.914 -0.272 0.000 2.470 143 V HA 0.121 4.423 4.120 0.303 0.000 0.276 143 V C -1.802 173.951 176.094 -0.570 0.000 1.040 143 V CA -1.179 60.794 62.300 -0.545 0.000 1.008 143 V CB 0.071 31.772 31.823 -0.203 0.000 0.990 143 V HN 0.579 nan 8.190 nan 0.000 0.477 144 P HA 0.246 nan 4.420 nan 0.000 0.268 144 P C -0.625 176.510 177.300 -0.276 0.000 1.205 144 P CA -0.083 62.717 63.100 -0.500 0.000 0.771 144 P CB 0.635 32.027 31.700 -0.514 0.000 0.858 145 A N 3.431 126.173 122.820 -0.130 0.000 2.280 145 A HA 0.483 4.985 4.320 0.303 0.000 0.320 145 A C -0.392 177.216 177.584 0.041 0.000 1.366 145 A CA -0.458 51.561 52.037 -0.029 0.000 0.938 145 A CB 0.019 18.995 19.000 -0.040 0.000 1.157 145 A HN 0.351 nan 8.150 nan 0.000 0.536 146 V N 2.650 122.650 119.914 0.143 0.000 2.459 146 V HA 0.365 4.667 4.120 0.303 0.000 0.295 146 V C 0.025 176.260 176.094 0.236 0.000 1.029 146 V CA -0.682 61.732 62.300 0.189 0.000 0.874 146 V CB 1.578 33.526 31.823 0.209 0.000 0.985 146 V HN 0.955 nan 8.190 nan 0.000 0.438 147 E N 8.615 128.919 120.200 0.174 0.000 2.152 147 E HA 0.306 4.838 4.350 0.303 0.000 0.285 147 E C -1.786 174.924 176.600 0.184 0.000 1.043 147 E CA -2.151 54.347 56.400 0.162 0.000 0.839 147 E CB 1.480 31.242 29.700 0.104 0.000 1.069 147 E HN 0.323 nan 8.360 nan 0.000 0.399 148 P HA -0.161 nan 4.420 nan 0.000 0.218 148 P C 1.013 178.391 177.300 0.131 0.000 1.149 148 P CA 1.256 64.440 63.100 0.140 0.000 0.817 148 P CB 0.142 31.961 31.700 0.198 0.000 0.785 149 S N 0.119 115.887 115.700 0.113 0.000 2.406 149 S HA -0.081 4.571 4.470 0.303 0.000 0.228 149 S C 2.066 176.719 174.600 0.089 0.000 1.020 149 S CA 1.362 59.614 58.200 0.087 0.000 0.965 149 S CB -1.358 61.880 63.200 0.062 0.000 0.798 149 S HN 0.293 nan 8.310 nan 0.000 0.488 150 S N -0.350 115.409 115.700 0.099 0.000 2.501 150 S HA 0.151 4.803 4.470 0.303 0.000 0.220 150 S C 0.534 175.187 174.600 0.088 0.000 0.997 150 S CA -0.594 57.652 58.200 0.076 0.000 0.919 150 S CB -1.006 62.231 63.200 0.062 0.000 0.778 150 S HN 0.613 nan 8.310 nan 0.000 0.523 151 Y N 3.818 124.127 120.300 0.015 0.000 2.811 151 Y HA 0.236 4.967 4.550 0.301 0.000 0.334 151 Y C 0.233 176.137 175.900 0.007 0.000 1.247 151 Y CA 0.112 58.216 58.100 0.007 0.000 1.526 151 Y CB 0.380 38.827 38.460 -0.022 0.000 1.284 151 Y HN 0.083 nan 8.280 nan 0.000 0.586 152 R N 6.710 126.746 120.500 -0.773 0.000 2.574 152 R HA 0.336 4.858 4.340 0.303 0.000 0.288 152 R C -1.861 173.962 176.300 -0.796 0.000 1.004 152 R CA -1.253 54.489 56.100 -0.598 0.000 0.895 152 R CB 1.741 31.893 30.300 -0.247 0.000 1.191 152 R HN 0.768 nan 8.270 nan 0.000 0.444 153 L N 2.748 123.673 121.223 -0.496 0.000 2.265 153 L HA 0.450 4.972 4.340 0.303 0.000 0.288 153 L C -0.025 176.804 176.870 -0.068 0.000 1.058 153 L CA -0.092 54.624 54.840 -0.207 0.000 0.809 153 L CB 0.768 42.842 42.059 0.024 0.000 1.179 153 L HN 0.493 nan 8.230 nan 0.000 0.429 154 R N 4.616 125.098 120.500 -0.030 0.000 2.229 154 R HA 0.621 5.143 4.340 0.303 0.000 0.328 154 R C -1.367 174.972 176.300 0.065 0.000 1.009 154 R CA -0.512 55.598 56.100 0.016 0.000 0.864 154 R CB 1.143 31.450 30.300 0.012 0.000 1.085 154 R HN 0.642 nan 8.270 nan 0.000 0.453 155 V N 2.617 122.584 119.914 0.089 0.000 2.407 155 V HA 0.380 4.682 4.120 0.303 0.000 0.291 155 V C -0.988 175.195 176.094 0.150 0.000 1.018 155 V CA -0.938 61.440 62.300 0.131 0.000 0.842 155 V CB 1.684 33.598 31.823 0.151 0.000 0.996 155 V HN 0.698 nan 8.190 nan 0.000 0.426 156 D N 5.559 126.058 120.400 0.166 0.000 2.338 156 D HA 0.350 5.172 4.640 0.303 0.000 0.255 156 D C 0.841 177.300 176.300 0.265 0.000 1.237 156 D CA 0.832 54.933 54.000 0.169 0.000 0.883 156 D CB 1.520 42.410 40.800 0.150 0.000 1.087 156 D HN 0.941 nan 8.370 nan 0.000 0.485 157 G N 2.957 111.830 108.800 0.121 0.000 2.664 157 G HA2 0.129 4.271 3.960 0.303 0.000 0.242 157 G HA3 0.129 4.271 3.960 0.303 0.000 0.242 157 G C -1.182 173.612 174.900 -0.176 0.000 1.225 157 G CA -0.860 44.198 45.100 -0.070 0.000 0.849 157 G HN 0.282 nan 8.290 nan 0.000 0.581 158 P HA 0.023 nan 4.420 nan 0.000 0.223 158 P C 1.162 178.355 177.300 -0.178 0.000 1.151 158 P CA 1.348 64.143 63.100 -0.507 0.000 0.787 158 P CB 0.393 31.589 31.700 -0.842 0.000 0.788 159 G N -1.618 107.092 108.800 -0.150 0.000 3.774 159 G HA2 0.424 4.566 3.960 0.303 0.000 0.287 159 G HA3 0.424 4.566 3.960 0.303 0.000 0.287 159 G C 0.882 175.760 174.900 -0.037 0.000 1.030 159 G CA 0.231 45.286 45.100 -0.075 0.000 0.824 159 G HN 0.383 nan 8.290 nan 0.000 0.518 160 G N -1.021 107.768 108.800 -0.020 0.000 2.218 160 G HA2 -0.017 4.125 3.960 0.303 0.000 0.216 160 G HA3 -0.017 4.125 3.960 0.303 0.000 0.216 160 G C 0.856 175.754 174.900 -0.004 0.000 0.994 160 G CA 0.086 45.188 45.100 0.002 0.000 0.637 160 G HN 1.054 nan 8.290 nan 0.000 0.505 161 G N -0.558 108.224 108.800 -0.029 0.000 2.634 161 G HA2 0.541 4.683 3.960 0.303 0.000 0.255 161 G HA3 0.541 4.683 3.960 0.303 0.000 0.255 161 G C -0.219 174.681 174.900 -0.000 0.000 1.205 161 G CA 0.952 46.037 45.100 -0.025 0.000 0.884 161 G HN 0.662 nan 8.290 nan 0.000 0.549 162 T N 0.258 114.817 114.554 0.008 0.000 2.893 162 T HA 0.461 4.993 4.350 0.303 0.000 0.293 162 T C -0.688 174.031 174.700 0.030 0.000 1.027 162 T CA -0.375 61.743 62.100 0.030 0.000 0.988 162 T CB 1.573 70.460 68.868 0.031 0.000 1.043 162 T HN 0.350 nan 8.240 nan 0.000 0.461 163 L N 2.224 123.480 121.223 0.055 0.000 2.322 163 L HA 0.735 5.257 4.340 0.303 0.000 0.281 163 L C -0.420 176.492 176.870 0.069 0.000 1.014 163 L CA -0.475 54.409 54.840 0.074 0.000 0.815 163 L CB 1.697 43.825 42.059 0.115 0.000 1.247 163 L HN 0.617 nan 8.230 nan 0.000 0.421 164 S N 5.523 121.258 115.700 0.059 0.000 2.707 164 S HA 0.587 5.238 4.470 0.303 0.000 0.312 164 S C -0.880 173.745 174.600 0.041 0.000 1.116 164 S CA -0.584 57.633 58.200 0.028 0.000 1.078 164 S CB 0.534 63.737 63.200 0.006 0.000 0.997 164 S HN 0.502 nan 8.310 nan 0.000 0.477 165 L N 4.464 125.710 121.223 0.039 0.000 2.296 165 L HA 0.528 5.050 4.340 0.303 0.000 0.286 165 L C 0.731 177.625 176.870 0.040 0.000 1.023 165 L CA -0.675 54.212 54.840 0.078 0.000 0.812 165 L CB 2.001 44.154 42.059 0.156 0.000 1.223 165 L HN 0.720 nan 8.230 nan 0.000 0.421 166 S N 1.909 117.644 115.700 0.057 0.000 2.634 166 S HA 0.206 4.858 4.470 0.303 0.000 0.261 166 S C 0.806 175.485 174.600 0.131 0.000 1.271 166 S CA -0.670 57.577 58.200 0.078 0.000 0.985 166 S CB 1.187 64.418 63.200 0.052 0.000 0.968 166 S HN 0.537 nan 8.310 nan 0.000 0.568 167 L N 1.228 122.543 121.223 0.154 0.000 2.056 167 L HA 0.106 4.628 4.340 0.303 0.000 0.207 167 L C 2.694 179.536 176.870 -0.047 0.000 1.078 167 L CA 2.227 57.096 54.840 0.048 0.000 0.749 167 L CB -1.730 40.316 42.059 -0.020 0.000 0.901 167 L HN 0.946 nan 8.230 nan 0.000 0.433 168 A N -0.654 122.152 122.820 -0.023 0.000 1.892 168 A HA -0.264 4.237 4.320 0.303 0.000 0.218 168 A C 2.145 179.705 177.584 -0.040 0.000 1.188 168 A CA 2.087 54.097 52.037 -0.044 0.000 0.631 168 A CB -0.620 18.368 19.000 -0.019 0.000 0.822 168 A HN 0.619 nan 8.150 nan 0.000 0.447 169 E N -0.852 119.347 120.200 -0.002 0.000 2.072 169 E HA -0.125 4.407 4.350 0.303 0.000 0.190 169 E C 1.923 178.561 176.600 0.062 0.000 0.982 169 E CA 0.962 57.360 56.400 -0.003 0.000 0.803 169 E CB -0.269 29.448 29.700 0.029 0.000 0.755 169 E HN 0.464 nan 8.360 nan 0.000 0.453 170 L N 1.486 122.792 121.223 0.138 0.000 2.079 170 L HA -0.191 4.331 4.340 0.303 0.000 0.210 170 L C 2.138 179.125 176.870 0.196 0.000 1.081 170 L CA 1.730 56.731 54.840 0.269 0.000 0.752 170 L CB -0.103 42.067 42.059 0.184 0.000 0.896 170 L HN -0.050 nan 8.230 nan 0.000 0.433 171 R N -1.226 119.223 120.500 -0.085 0.000 2.075 171 R HA -0.055 4.467 4.340 0.303 0.000 0.226 171 R C 2.410 178.701 176.300 -0.015 0.000 1.114 171 R CA 1.418 57.414 56.100 -0.174 0.000 0.972 171 R CB -0.391 29.694 30.300 -0.357 0.000 0.869 171 R HN 0.603 nan 8.270 nan 0.000 0.437 172 S N 0.338 116.006 115.700 -0.053 0.000 2.425 172 S HA -0.070 4.582 4.470 0.303 0.000 0.225 172 S C 2.035 176.547 174.600 -0.147 0.000 1.024 172 S CA 0.414 58.570 58.200 -0.073 0.000 0.951 172 S CB 0.013 63.164 63.200 -0.081 0.000 0.796 172 S HN 0.205 nan 8.310 nan 0.000 0.498 173 R N -0.011 120.316 120.500 -0.288 0.000 2.153 173 R HA 0.192 4.714 4.340 0.303 0.000 0.218 173 R C -0.756 175.085 176.300 -0.764 0.000 1.072 173 R CA 0.584 56.310 56.100 -0.624 0.000 0.990 173 R CB 0.005 29.712 30.300 -0.988 0.000 0.889 173 R HN 0.427 nan 8.270 nan 0.000 0.452 174 F N 1.916 121.848 119.950 -0.029 0.000 2.458 174 F HA 0.431 5.140 4.527 0.304 0.000 0.336 174 F C -1.980 173.846 175.800 0.044 0.000 1.114 174 F CA -3.451 54.550 58.000 0.002 0.000 0.987 174 F CB 1.288 40.303 39.000 0.025 0.000 1.130 174 F HN -0.070 nan 8.300 nan 0.000 0.458 175 P HA 0.020 nan 4.420 nan 0.000 0.267 175 P C -0.526 176.879 177.300 0.175 0.000 1.209 175 P CA -0.371 62.811 63.100 0.136 0.000 0.763 175 P CB 0.710 32.464 31.700 0.090 0.000 0.816 176 K N 3.354 123.862 120.400 0.180 0.000 2.451 176 K HA 0.012 4.514 4.320 0.303 0.000 0.280 176 K C -0.134 176.572 176.600 0.175 0.000 1.020 176 K CA -0.015 56.382 56.287 0.183 0.000 1.008 176 K CB 0.096 32.709 32.500 0.187 0.000 0.917 176 K HN 0.603 nan 8.250 nan 0.000 0.478 177 H N 3.362 122.440 119.070 0.013 0.000 2.495 177 H HA 0.259 4.997 4.556 0.303 0.000 0.348 177 H C -1.085 174.235 175.328 -0.014 0.000 1.113 177 H CA -0.799 55.253 56.048 0.008 0.000 1.195 177 H CB 1.298 31.062 29.762 0.004 0.000 1.521 177 H HN 0.678 nan 8.280 nan 0.000 0.509 178 E N 3.691 123.691 120.200 -0.334 0.000 2.187 178 E HA 0.396 4.928 4.350 0.303 0.000 0.268 178 E C -1.197 175.169 176.600 -0.390 0.000 0.896 178 E CA -1.010 55.226 56.400 -0.274 0.000 0.766 178 E CB 2.922 32.552 29.700 -0.115 0.000 1.142 178 E HN 0.209 nan 8.360 nan 0.000 0.408 179 V N 2.296 122.089 119.914 -0.200 0.000 2.623 179 V HA 0.250 4.552 4.120 0.303 0.000 0.304 179 V C -0.357 175.805 176.094 0.114 0.000 1.054 179 V CA -0.854 61.413 62.300 -0.056 0.000 0.882 179 V CB 2.195 33.975 31.823 -0.071 0.000 1.002 179 V HN 0.687 nan 8.190 nan 0.000 0.424 180 T N 4.460 119.111 114.554 0.161 0.000 2.727 180 T HA 0.716 5.248 4.350 0.303 0.000 0.298 180 T C 0.037 174.894 174.700 0.261 0.000 0.942 180 T CA -0.084 62.109 62.100 0.155 0.000 0.997 180 T CB 0.979 69.956 68.868 0.181 0.000 0.917 180 T HN 1.012 nan 8.240 nan 0.000 0.487 181 A N 3.130 126.106 122.820 0.260 0.000 2.486 181 A HA 0.714 5.216 4.320 0.303 0.000 0.300 181 A C 0.010 177.680 177.584 0.143 0.000 1.048 181 A CA -0.875 51.330 52.037 0.280 0.000 0.696 181 A CB 1.353 20.472 19.000 0.198 0.000 1.278 181 A HN 0.583 nan 8.150 nan 0.000 0.405 182 T N 2.688 117.207 114.554 -0.058 0.000 2.806 182 T HA 0.511 5.043 4.350 0.303 0.000 0.290 182 T C -0.198 174.275 174.700 -0.378 0.000 0.966 182 T CA 0.069 61.895 62.100 -0.456 0.000 1.060 182 T CB 0.178 68.526 68.868 -0.866 0.000 0.927 182 T HN 0.422 nan 8.240 nan 0.000 0.485 183 L N 3.639 124.689 121.223 -0.288 0.000 2.282 183 L HA 0.486 5.008 4.340 0.303 0.000 0.288 183 L C 0.244 176.921 176.870 -0.321 0.000 1.033 183 L CA -0.558 54.173 54.840 -0.182 0.000 0.807 183 L CB 1.410 43.527 42.059 0.097 0.000 1.209 183 L HN 0.531 nan 8.230 nan 0.000 0.423 184 Q N 2.782 122.311 119.800 -0.452 0.000 2.333 184 Q HA 0.291 4.813 4.340 0.303 0.000 0.267 184 Q C -1.052 174.735 176.000 -0.354 0.000 1.012 184 Q CA -0.607 54.867 55.803 -0.549 0.000 0.824 184 Q CB 2.431 30.795 28.738 -0.623 0.000 1.290 184 Q HN 0.767 nan 8.270 nan 0.000 0.449 185 C N 2.776 121.760 119.300 -0.526 0.000 2.605 185 C HA 0.499 5.141 4.460 0.303 0.000 0.404 185 C C 1.860 176.722 174.990 -0.213 0.000 1.284 185 C CA 0.400 59.215 59.018 -0.338 0.000 2.199 185 C CB -0.023 27.366 27.740 -0.585 0.000 2.647 185 C HN 1.028 nan 8.230 nan 0.000 0.604 186 A N 3.539 126.334 122.820 -0.042 0.000 2.024 186 A HA 0.036 4.538 4.320 0.303 0.000 0.220 186 A C 1.962 179.613 177.584 0.112 0.000 1.164 186 A CA 2.014 54.107 52.037 0.093 0.000 0.643 186 A CB -0.875 18.292 19.000 0.279 0.000 0.806 186 A HN 1.388 nan 8.150 nan 0.000 0.451 187 G N -0.674 108.192 108.800 0.111 0.000 3.181 187 G HA2 0.101 4.243 3.960 0.303 0.000 0.219 187 G HA3 0.101 4.243 3.960 0.303 0.000 0.219 187 G C 0.416 175.353 174.900 0.061 0.000 1.182 187 G CA 0.037 45.256 45.100 0.198 0.000 0.791 187 G HN 0.484 nan 8.290 nan 0.000 0.537 188 N N 1.185 119.771 118.700 -0.190 0.000 2.412 188 N HA 0.010 4.931 4.740 0.303 0.000 0.258 188 N C 1.062 176.574 175.510 0.004 0.000 1.236 188 N CA 0.141 53.060 53.050 -0.219 0.000 0.882 188 N CB 0.014 38.323 38.487 -0.297 0.000 1.066 188 N HN 0.320 nan 8.380 nan 0.000 0.465 189 R N 0.345 120.884 120.500 0.065 0.000 3.770 189 R HA -0.269 4.253 4.340 0.303 0.000 0.305 189 R C 1.181 177.559 176.300 0.130 0.000 1.184 189 R CA 0.987 57.144 56.100 0.095 0.000 0.823 189 R CB -1.584 28.753 30.300 0.062 0.000 1.285 189 R HN 0.702 nan 8.270 nan 0.000 0.499 190 R N 1.491 122.098 120.500 0.180 0.000 2.091 190 R HA -0.174 4.348 4.340 0.303 0.000 0.238 190 R C 2.147 178.534 176.300 0.145 0.000 1.136 190 R CA 2.249 58.450 56.100 0.169 0.000 0.959 190 R CB -0.176 30.258 30.300 0.223 0.000 0.856 190 R HN 0.461 nan 8.270 nan 0.000 0.437 191 S N 0.149 115.935 115.700 0.145 0.000 2.387 191 S HA -0.200 4.452 4.470 0.303 0.000 0.230 191 S C 1.655 176.334 174.600 0.132 0.000 1.035 191 S CA 1.558 59.832 58.200 0.124 0.000 1.014 191 S CB -0.301 62.965 63.200 0.110 0.000 0.836 191 S HN 0.541 nan 8.310 nan 0.000 0.466 192 E N 0.566 120.849 120.200 0.139 0.000 2.110 192 E HA -0.080 4.452 4.350 0.303 0.000 0.193 192 E C 2.087 178.784 176.600 0.163 0.000 0.988 192 E CA 1.412 57.900 56.400 0.146 0.000 0.804 192 E CB -0.249 29.543 29.700 0.153 0.000 0.745 192 E HN 0.602 nan 8.360 nan 0.000 0.458 193 M N 0.030 119.731 119.600 0.170 0.000 2.254 193 M HA -0.115 4.547 4.480 0.303 0.000 0.265 193 M C 2.277 178.769 176.300 0.320 0.000 1.066 193 M CA 0.951 56.389 55.300 0.231 0.000 1.123 193 M CB 0.195 32.863 32.600 0.113 0.000 1.388 193 M HN -0.047 nan 8.290 nan 0.000 0.425 194 S N 0.006 115.846 115.700 0.233 0.000 2.402 194 S HA -0.047 4.605 4.470 0.303 0.000 0.229 194 S C 1.752 176.475 174.600 0.204 0.000 1.021 194 S CA 0.949 59.293 58.200 0.241 0.000 0.974 194 S CB -0.146 63.153 63.200 0.165 0.000 0.800 194 S HN 0.483 nan 8.310 nan 0.000 0.484 195 R N 0.160 120.758 120.500 0.163 0.000 2.148 195 R HA 0.008 4.530 4.340 0.303 0.000 0.227 195 R C 2.049 178.408 176.300 0.097 0.000 1.103 195 R CA 1.016 57.185 56.100 0.116 0.000 0.983 195 R CB -0.348 30.012 30.300 0.099 0.000 0.874 195 R HN 0.295 nan 8.270 nan 0.000 0.451 196 V N 0.221 120.211 119.914 0.125 0.000 2.453 196 V HA -0.107 4.195 4.120 0.303 0.000 0.247 196 V C 0.966 177.033 176.094 -0.046 0.000 1.048 196 V CA 1.200 63.530 62.300 0.050 0.000 1.049 196 V CB -0.379 31.505 31.823 0.102 0.000 0.672 196 V HN 0.274 nan 8.190 nan 0.000 0.457 197 R N -0.543 119.991 120.500 0.057 0.000 2.808 197 R HA 0.238 4.759 4.340 0.303 0.000 0.254 197 R C -3.223 173.274 176.300 0.328 0.000 1.145 197 R CA -1.285 54.814 56.100 -0.001 0.000 1.066 197 R CB 1.835 31.827 30.300 -0.514 0.000 1.268 197 R HN -0.004 nan 8.270 nan 0.000 0.447 198 P HA -0.035 nan 4.420 nan 0.000 0.262 198 P C -0.586 176.973 177.300 0.433 0.000 1.182 198 P CA -0.170 63.105 63.100 0.291 0.000 0.761 198 P CB 0.699 32.513 31.700 0.191 0.000 0.795 199 V N 0.558 120.678 119.914 0.343 0.000 3.113 199 V HA 0.577 4.879 4.120 0.303 0.000 0.316 199 V C -0.280 175.973 176.094 0.265 0.000 1.125 199 V CA -1.218 61.261 62.300 0.298 0.000 1.026 199 V CB 2.113 33.994 31.823 0.096 0.000 1.080 199 V HN 0.303 nan 8.190 nan 0.000 0.444 200 K N 0.940 121.540 120.400 0.335 0.000 2.234 200 K HA 0.708 5.210 4.320 0.303 0.000 0.277 200 K C -0.156 176.568 176.600 0.205 0.000 1.038 200 K CA 0.581 57.029 56.287 0.269 0.000 0.888 200 K CB 0.627 33.348 32.500 0.367 0.000 1.091 200 K HN 1.605 nan 8.250 nan 0.000 0.467 201 G N 2.778 111.656 108.800 0.131 0.000 2.339 201 G HA2 0.081 4.223 3.960 0.303 0.000 0.302 201 G HA3 0.081 4.223 3.960 0.303 0.000 0.302 201 G C -1.415 173.498 174.900 0.021 0.000 1.425 201 G CA -1.112 44.058 45.100 0.118 0.000 0.899 201 G HN 0.526 nan 8.290 nan 0.000 0.619 202 L N 1.618 122.813 121.223 -0.047 0.000 2.499 202 L HA 0.256 4.778 4.340 0.303 0.000 0.273 202 L C -1.340 175.302 176.870 -0.379 0.000 1.195 202 L CA -1.174 53.465 54.840 -0.334 0.000 0.882 202 L CB 0.826 42.496 42.059 -0.648 0.000 1.133 202 L HN 0.343 nan 8.230 nan 0.000 0.483 203 P HA -0.013 nan 4.420 nan 0.000 0.226 203 P C -0.816 176.394 177.300 -0.151 0.000 1.783 203 P CA -0.330 62.670 63.100 -0.167 0.000 0.980 203 P CB -0.380 31.255 31.700 -0.108 0.000 1.967 204 W N 1.210 122.513 121.300 0.006 0.000 2.158 204 W HA 0.096 4.934 4.660 0.297 0.000 0.339 204 W C 1.229 177.746 176.519 -0.003 0.000 1.294 204 W CA -0.113 57.223 57.345 -0.015 0.000 1.231 204 W CB 0.272 29.706 29.460 -0.044 0.000 1.143 204 W HN 0.225 nan 8.180 nan 0.000 0.571 205 D N 1.096 121.657 120.400 0.269 0.000 2.384 205 D HA 0.138 4.960 4.640 0.303 0.000 0.257 205 D C 1.253 177.624 176.300 0.119 0.000 1.226 205 D CA -0.356 53.740 54.000 0.160 0.000 1.129 205 D CB 0.240 41.115 40.800 0.125 0.000 1.197 205 D HN 0.338 nan 8.370 nan 0.000 0.571 206 I N -2.109 118.502 120.570 0.069 0.000 3.735 206 I HA 0.415 4.767 4.170 0.303 0.000 0.310 206 I C 1.051 177.212 176.117 0.074 0.000 1.270 206 I CA 0.122 61.450 61.300 0.047 0.000 1.207 206 I CB -0.050 37.923 38.000 -0.045 0.000 1.013 206 I HN 0.194 nan 8.210 nan 0.000 0.452 207 G N 1.003 109.809 108.800 0.011 0.000 3.502 207 G HA2 0.468 4.610 3.960 0.303 0.000 0.267 207 G HA3 0.468 4.610 3.960 0.303 0.000 0.267 207 G C 0.803 175.486 174.900 -0.362 0.000 1.090 207 G CA 0.250 45.298 45.100 -0.087 0.000 0.795 207 G HN 0.454 nan 8.290 nan 0.000 0.535 208 A N 0.952 123.383 122.820 -0.648 0.000 3.074 208 A HA 0.668 5.170 4.320 0.303 0.000 0.251 208 A C -0.186 176.320 177.584 -1.796 0.000 1.695 208 A CA -0.147 50.936 52.037 -1.589 0.000 1.343 208 A CB -0.620 17.223 19.000 -1.929 0.000 1.078 208 A HN 0.491 nan 8.150 nan 0.000 0.644 209 I N -0.595 119.151 120.570 -1.373 0.000 2.731 209 I HA 0.444 4.796 4.170 0.303 0.000 0.289 209 I C -1.249 174.448 176.117 -0.701 0.000 1.399 209 I CA 0.064 60.783 61.300 -0.968 0.000 1.048 209 I CB 1.955 39.472 38.000 -0.804 0.000 1.345 209 I HN 0.182 nan 8.210 nan 0.000 0.425 210 S N 3.169 118.383 115.700 -0.809 0.000 2.596 210 S HA 0.658 5.310 4.470 0.303 0.000 0.270 210 S C -1.195 172.654 174.600 -1.252 0.000 1.155 210 S CA -0.606 56.880 58.200 -1.191 0.000 0.827 210 S CB 2.373 64.571 63.200 -1.670 0.000 1.130 210 S HN 0.625 nan 8.310 nan 0.000 0.467 211 T N 1.577 115.455 114.554 -1.127 0.000 2.863 211 T HA 0.871 5.403 4.350 0.303 0.000 0.285 211 T C -0.784 173.673 174.700 -0.405 0.000 1.009 211 T CA -0.464 61.127 62.100 -0.848 0.000 0.989 211 T CB 1.626 69.614 68.868 -1.467 0.000 1.004 211 T HN 0.917 nan 8.240 nan 0.000 0.455 212 A N 2.303 124.887 122.820 -0.394 0.000 2.606 212 A HA 0.813 5.315 4.320 0.303 0.000 0.293 212 A C -0.941 176.168 177.584 -0.791 0.000 1.082 212 A CA -1.020 50.605 52.037 -0.688 0.000 0.685 212 A CB 1.443 19.722 19.000 -1.202 0.000 1.284 212 A HN 0.778 nan 8.150 nan 0.000 0.408 213 R N 1.053 121.173 120.500 -0.633 0.000 2.205 213 R HA 0.461 4.983 4.340 0.303 0.000 0.342 213 R C -1.578 174.413 176.300 -0.514 0.000 1.058 213 R CA -0.120 55.738 56.100 -0.404 0.000 0.904 213 R CB 0.219 30.401 30.300 -0.196 0.000 1.089 213 R HN 0.629 nan 8.270 nan 0.000 0.471 214 W N 2.795 123.985 121.300 -0.184 0.000 2.449 214 W HA 0.603 5.445 4.660 0.302 0.000 0.331 214 W C 0.512 176.881 176.519 -0.249 0.000 1.119 214 W CA -0.593 56.609 57.345 -0.238 0.000 1.240 214 W CB 1.813 31.114 29.460 -0.266 0.000 1.251 214 W HN 0.702 nan 8.180 nan 0.000 0.576 215 G N 0.279 109.043 108.800 -0.060 0.000 2.662 215 G HA2 0.718 4.860 3.960 0.303 0.000 0.302 215 G HA3 0.718 4.860 3.960 0.303 0.000 0.302 215 G C -0.840 173.745 174.900 -0.525 0.000 1.389 215 G CA -0.219 44.755 45.100 -0.209 0.000 0.998 215 G HN 0.885 nan 8.290 nan 0.000 0.502 216 G N -0.694 107.783 108.800 -0.540 0.000 2.348 216 G HA2 0.676 4.818 3.960 0.303 0.000 0.296 216 G HA3 0.676 4.818 3.960 0.303 0.000 0.296 216 G C -0.895 173.874 174.900 -0.218 0.000 1.258 216 G CA 0.240 44.816 45.100 -0.873 0.000 0.868 216 G HN 1.600 nan 8.290 nan 0.000 0.488 217 A N 0.053 122.844 122.820 -0.049 0.000 2.366 217 A HA 0.694 5.196 4.320 0.303 0.000 0.272 217 A C 0.661 178.207 177.584 -0.063 0.000 1.135 217 A CA -0.267 51.797 52.037 0.045 0.000 0.804 217 A CB 0.178 19.196 19.000 0.030 0.000 1.064 217 A HN 0.606 nan 8.150 nan 0.000 0.499 218 R N 2.038 122.518 120.500 -0.033 0.000 2.489 218 R HA 0.070 4.592 4.340 0.303 0.000 0.287 218 R C 1.100 177.314 176.300 -0.142 0.000 1.053 218 R CA -0.290 55.770 56.100 -0.068 0.000 1.036 218 R CB 0.421 30.685 30.300 -0.059 0.000 0.966 218 R HN 0.853 nan 8.270 nan 0.000 0.432 219 L N 3.559 124.700 121.223 -0.136 0.000 2.079 219 L HA -0.250 4.272 4.340 0.303 0.000 0.210 219 L C 2.669 179.463 176.870 -0.127 0.000 1.081 219 L CA 1.689 56.449 54.840 -0.134 0.000 0.752 219 L CB -0.251 41.753 42.059 -0.091 0.000 0.896 219 L HN 0.686 nan 8.230 nan 0.000 0.433 220 R N -0.027 120.406 120.500 -0.111 0.000 2.094 220 R HA -0.235 4.287 4.340 0.303 0.000 0.239 220 R C 1.821 178.092 176.300 -0.047 0.000 1.137 220 R CA 2.322 58.367 56.100 -0.092 0.000 0.943 220 R CB -0.308 29.946 30.300 -0.076 0.000 0.850 220 R HN 0.386 nan 8.270 nan 0.000 0.433 221 D N -0.152 120.222 120.400 -0.044 0.000 2.144 221 D HA -0.119 4.703 4.640 0.303 0.000 0.199 221 D C 1.974 178.278 176.300 0.008 0.000 0.984 221 D CA 1.235 55.258 54.000 0.040 0.000 0.834 221 D CB -0.099 40.762 40.800 0.102 0.000 0.955 221 D HN 0.143 nan 8.370 nan 0.000 0.465 222 V N 0.916 120.662 119.914 -0.279 0.000 2.358 222 V HA -0.183 4.119 4.120 0.303 0.000 0.246 222 V C 2.617 178.737 176.094 0.043 0.000 1.047 222 V CA 1.052 63.138 62.300 -0.356 0.000 1.035 222 V CB -0.390 31.140 31.823 -0.488 0.000 0.658 222 V HN 0.177 nan 8.190 nan 0.000 0.452 223 L N -0.803 120.446 121.223 0.043 0.000 2.056 223 L HA -0.133 4.389 4.340 0.303 0.000 0.207 223 L C 2.388 179.419 176.870 0.268 0.000 1.078 223 L CA 1.325 56.272 54.840 0.178 0.000 0.749 223 L CB -0.496 41.561 42.059 -0.003 0.000 0.901 223 L HN 0.284 nan 8.230 nan 0.000 0.433 224 L N -0.966 120.361 121.223 0.173 0.000 2.083 224 L HA -0.259 4.263 4.340 0.303 0.000 0.209 224 L C 2.688 179.671 176.870 0.188 0.000 1.083 224 L CA 1.179 56.121 54.840 0.169 0.000 0.752 224 L CB -0.704 41.432 42.059 0.128 0.000 0.899 224 L HN 0.310 nan 8.230 nan 0.000 0.433 225 H N 0.356 119.530 119.070 0.173 0.000 2.353 225 H HA -0.127 4.610 4.556 0.303 0.000 0.300 225 H C 2.074 177.485 175.328 0.139 0.000 1.090 225 H CA 1.459 57.626 56.048 0.198 0.000 1.327 225 H CB 0.055 30.057 29.762 0.400 0.000 1.383 225 H HN 0.271 nan 8.280 nan 0.000 0.508 226 A N -1.045 121.811 122.820 0.061 0.000 2.172 226 A HA 0.203 4.704 4.320 0.303 0.000 0.216 226 A C 2.051 179.521 177.584 -0.190 0.000 1.154 226 A CA 1.228 53.241 52.037 -0.039 0.000 0.701 226 A CB -0.700 18.401 19.000 0.167 0.000 0.789 226 A HN 0.841 nan 8.150 nan 0.000 0.465 227 G N -2.890 105.820 108.800 -0.150 0.000 2.192 227 G HA2 -0.158 3.984 3.960 0.303 0.000 0.193 227 G HA3 -0.158 3.984 3.960 0.303 0.000 0.193 227 G C -0.030 174.721 174.900 -0.248 0.000 0.999 227 G CA -0.194 44.770 45.100 -0.227 0.000 0.659 227 G HN 0.253 nan 8.290 nan 0.000 0.503 228 F N 2.816 122.772 119.950 0.010 0.000 2.418 228 F HA 0.502 5.211 4.527 0.304 0.000 0.341 228 F C -0.718 175.107 175.800 0.042 0.000 1.120 228 F CA -1.610 56.411 58.000 0.035 0.000 1.232 228 F CB 0.633 39.701 39.000 0.113 0.000 1.175 228 F HN -0.068 nan 8.300 nan 0.000 0.569 229 P HA 0.154 nan 4.420 nan 0.000 0.278 229 P C -0.130 177.288 177.300 0.196 0.000 1.266 229 P CA -0.345 62.834 63.100 0.133 0.000 0.807 229 P CB 0.950 32.672 31.700 0.037 0.000 1.094 230 E N -0.174 120.097 120.200 0.119 0.000 2.150 230 E HA -0.102 4.430 4.350 0.303 0.000 0.193 230 E C 0.339 177.041 176.600 0.169 0.000 0.985 230 E CA 1.089 57.553 56.400 0.108 0.000 0.814 230 E CB 0.285 30.019 29.700 0.057 0.000 0.752 230 E HN 0.622 nan 8.360 nan 0.000 0.466 231 E N 0.228 120.510 120.200 0.135 0.000 2.331 231 E HA 0.537 5.069 4.350 0.303 0.000 0.275 231 E C -1.038 175.524 176.600 -0.064 0.000 0.895 231 E CA -0.529 55.935 56.400 0.106 0.000 0.753 231 E CB 1.792 31.530 29.700 0.063 0.000 1.216 231 E HN -0.104 nan 8.360 nan 0.000 0.434 232 L N 1.155 122.249 121.223 -0.214 0.000 2.319 232 L HA 0.373 4.895 4.340 0.303 0.000 0.267 232 L C -0.262 176.512 176.870 -0.159 0.000 1.011 232 L CA -1.359 53.216 54.840 -0.442 0.000 0.818 232 L CB 2.058 43.405 42.059 -1.187 0.000 1.316 232 L HN 0.583 nan 8.230 nan 0.000 0.432 233 Q N 1.230 120.985 119.800 -0.076 0.000 2.307 233 Q HA 0.487 5.008 4.340 0.303 0.000 0.261 233 Q C 0.139 176.284 176.000 0.242 0.000 1.051 233 Q CA 1.063 56.916 55.803 0.083 0.000 0.911 233 Q CB 0.460 29.248 28.738 0.083 0.000 1.227 233 Q HN 0.728 nan 8.270 nan 0.000 0.418 234 G N 3.626 112.525 108.800 0.164 0.000 2.568 234 G HA2 -0.223 3.919 3.960 0.303 0.000 0.222 234 G HA3 -0.223 3.919 3.960 0.303 0.000 0.222 234 G C -1.054 173.955 174.900 0.183 0.000 1.321 234 G CA -0.367 44.823 45.100 0.150 0.000 0.893 234 G HN 0.617 nan 8.290 nan 0.000 0.569 235 E N 0.083 120.315 120.200 0.053 0.000 2.035 235 E HA 0.459 4.991 4.350 0.303 0.000 0.271 235 E C -0.809 175.665 176.600 -0.209 0.000 0.953 235 E CA -0.237 56.136 56.400 -0.045 0.000 0.777 235 E CB 0.750 30.419 29.700 -0.052 0.000 1.104 235 E HN 0.379 nan 8.360 nan 0.000 0.408 236 W N 1.355 122.471 121.300 -0.306 0.000 2.671 236 W HA 0.380 5.222 4.660 0.303 0.000 0.360 236 W C 0.532 176.745 176.519 -0.511 0.000 1.128 236 W CA -0.350 56.820 57.345 -0.291 0.000 1.184 236 W CB 1.096 30.338 29.460 -0.364 0.000 1.415 236 W HN 0.403 nan 8.180 nan 0.000 0.604 237 H N -0.244 118.950 119.070 0.206 0.000 2.928 237 H HA 0.554 5.293 4.556 0.305 0.000 0.371 237 H C -1.309 174.046 175.328 0.046 0.000 1.186 237 H CA -0.895 55.207 56.048 0.090 0.000 1.134 237 H CB 1.879 31.626 29.762 -0.025 0.000 1.824 237 H HN 0.004 nan 8.280 nan 0.000 0.554 238 V N 2.057 121.971 119.914 0.000 0.000 2.384 238 V HA 0.182 4.484 4.120 0.303 0.000 0.287 238 V C 0.135 175.878 176.094 -0.585 0.000 1.020 238 V CA -0.463 61.688 62.300 -0.248 0.000 0.850 238 V CB 0.875 32.520 31.823 -0.297 0.000 0.987 238 V HN 0.758 nan 8.190 nan 0.000 0.436 239 C N 5.648 124.662 119.300 -0.476 0.000 2.358 239 C HA 0.766 5.408 4.460 0.303 0.000 0.342 239 C C -0.352 174.370 174.990 -0.447 0.000 1.234 239 C CA -0.734 58.008 59.018 -0.459 0.000 1.969 239 C CB 0.347 27.988 27.740 -0.165 0.000 2.346 239 C HN 0.672 nan 8.230 nan 0.000 0.525 240 F N 1.146 121.106 119.950 0.017 0.000 2.540 240 F HA 0.552 5.258 4.527 0.299 0.000 0.317 240 F C 0.254 176.080 175.800 0.045 0.000 1.104 240 F CA -0.843 57.173 58.000 0.026 0.000 0.913 240 F CB 1.026 40.036 39.000 0.017 0.000 1.170 240 F HN 0.525 nan 8.300 nan 0.000 0.450 241 E N 0.648 121.004 120.200 0.261 0.000 2.248 241 E HA 0.602 5.133 4.350 0.303 0.000 0.267 241 E C -0.227 176.509 176.600 0.226 0.000 0.877 241 E CA -0.856 55.666 56.400 0.204 0.000 0.759 241 E CB 2.509 32.300 29.700 0.151 0.000 1.182 241 E HN 0.824 nan 8.360 nan 0.000 0.418 242 G N 1.368 110.328 108.800 0.267 0.000 2.502 242 G HA2 0.292 4.434 3.960 0.303 0.000 0.305 242 G HA3 0.292 4.434 3.960 0.303 0.000 0.305 242 G C 0.532 175.586 174.900 0.257 0.000 1.190 242 G CA -0.506 44.778 45.100 0.307 0.000 0.933 242 G HN 0.503 nan 8.290 nan 0.000 0.503 243 L N 0.015 121.400 121.223 0.270 0.000 2.478 243 L HA 0.096 4.618 4.340 0.303 0.000 0.223 243 L C 0.667 177.576 176.870 0.065 0.000 1.140 243 L CA 0.096 55.032 54.840 0.160 0.000 0.842 243 L CB -0.283 41.870 42.059 0.158 0.000 0.953 243 L HN 0.551 nan 8.230 nan 0.000 0.452 244 D N 0.797 121.249 120.400 0.088 0.000 2.304 244 D HA 0.413 5.235 4.640 0.303 0.000 0.250 244 D C -0.240 176.114 176.300 0.089 0.000 1.107 244 D CA -0.099 53.891 54.000 -0.018 0.000 0.885 244 D CB 1.942 42.691 40.800 -0.086 0.000 1.192 244 D HN -0.003 nan 8.370 nan 0.000 0.436 245 A N 2.128 124.976 122.820 0.048 0.000 2.515 245 A HA 0.524 5.026 4.320 0.303 0.000 0.296 245 A C -0.608 177.032 177.584 0.094 0.000 1.094 245 A CA -0.862 51.236 52.037 0.102 0.000 0.718 245 A CB 1.553 20.596 19.000 0.071 0.000 1.307 245 A HN 0.697 nan 8.150 nan 0.000 0.408 246 D N 0.734 121.220 120.400 0.143 0.000 2.433 246 D HA 0.406 5.228 4.640 0.303 0.000 0.255 246 D C -1.786 174.551 176.300 0.061 0.000 1.226 246 D CA -1.421 52.657 54.000 0.129 0.000 1.015 246 D CB -0.255 40.654 40.800 0.182 0.000 1.091 246 D HN 0.093 nan 8.370 nan 0.000 0.527 247 P HA -0.084 nan 4.420 nan 0.000 0.217 247 P C 1.473 178.782 177.300 0.015 0.000 1.162 247 P CA 2.439 65.551 63.100 0.021 0.000 0.901 247 P CB -0.207 31.506 31.700 0.023 0.000 0.793 248 G N -2.215 106.596 108.800 0.018 0.000 2.534 248 G HA2 0.143 4.285 3.960 0.303 0.000 0.217 248 G HA3 0.143 4.285 3.960 0.303 0.000 0.217 248 G C 1.079 175.990 174.900 0.019 0.000 1.128 248 G CA 0.778 45.885 45.100 0.013 0.000 0.784 248 G HN 0.547 nan 8.290 nan 0.000 0.542 249 G N -1.697 107.122 108.800 0.032 0.000 2.154 249 G HA2 0.184 4.325 3.960 0.303 0.000 0.186 249 G HA3 0.184 4.325 3.960 0.303 0.000 0.186 249 G C 0.342 175.279 174.900 0.061 0.000 1.000 249 G CA 0.116 45.239 45.100 0.039 0.000 0.664 249 G HN 1.273 nan 8.290 nan 0.000 0.513 250 A N 1.656 124.521 122.820 0.075 0.000 2.404 250 A HA 0.702 5.204 4.320 0.303 0.000 0.273 250 A C -1.171 176.521 177.584 0.180 0.000 1.144 250 A CA -0.758 51.339 52.037 0.100 0.000 0.806 250 A CB 0.512 19.555 19.000 0.071 0.000 1.080 250 A HN 0.249 nan 8.150 nan 0.000 0.509 251 P HA 0.123 nan 4.420 nan 0.000 0.276 251 P C -0.663 176.846 177.300 0.349 0.000 1.252 251 P CA -0.292 62.949 63.100 0.234 0.000 0.802 251 P CB 0.512 32.321 31.700 0.182 0.000 1.035 252 Y N 0.748 121.183 120.300 0.224 0.000 2.597 252 Y HA 0.399 5.117 4.550 0.280 0.000 0.336 252 Y C 0.645 176.668 175.900 0.206 0.000 1.216 252 Y CA 1.464 59.640 58.100 0.126 0.000 1.463 252 Y CB 0.027 38.415 38.460 -0.121 0.000 1.303 252 Y HN 0.627 nan 8.280 nan 0.000 0.576 253 G N 2.167 110.705 108.800 -0.436 0.000 2.692 253 G HA2 0.790 4.932 3.960 0.303 0.000 0.291 253 G HA3 0.790 4.932 3.960 0.303 0.000 0.291 253 G C -2.121 172.614 174.900 -0.275 0.000 1.423 253 G CA -0.359 44.639 45.100 -0.169 0.000 0.843 253 G HN 1.065 nan 8.290 nan 0.000 0.486 254 A N -0.401 122.407 122.820 -0.020 0.000 2.586 254 A HA 0.976 5.477 4.320 0.303 0.000 0.290 254 A C -0.414 177.177 177.584 0.013 0.000 1.086 254 A CA 0.167 52.227 52.037 0.039 0.000 0.665 254 A CB 1.307 20.396 19.000 0.149 0.000 1.279 254 A HN 2.337 nan 8.150 nan 0.000 0.423 255 S N -0.600 115.084 115.700 -0.027 0.000 2.556 255 S HA 0.841 5.493 4.470 0.303 0.000 0.271 255 S C -0.682 173.898 174.600 -0.034 0.000 1.135 255 S CA -0.212 57.888 58.200 -0.165 0.000 0.858 255 S CB 1.213 64.322 63.200 -0.152 0.000 1.114 255 S HN 1.971 nan 8.310 nan 0.000 0.468 256 I N -2.211 118.320 120.570 -0.065 0.000 2.785 256 I HA 0.719 5.071 4.170 0.303 0.000 0.302 256 I C -3.222 172.947 176.117 0.086 0.000 1.069 256 I CA -3.164 58.171 61.300 0.058 0.000 1.045 256 I CB 2.007 40.059 38.000 0.086 0.000 1.236 256 I HN 0.301 nan 8.210 nan 0.000 0.429 257 P HA 0.000 nan 4.420 nan 0.000 0.266 257 P C -0.068 177.239 177.300 0.010 0.000 1.195 257 P CA 0.218 63.317 63.100 -0.002 0.000 0.768 257 P CB 0.286 31.986 31.700 0.000 0.000 0.838 258 Y N 3.154 123.377 120.300 -0.130 0.000 2.193 258 Y HA -0.238 4.493 4.550 0.302 0.000 0.285 258 Y C 2.317 178.182 175.900 -0.059 0.000 1.166 258 Y CA 2.514 60.562 58.100 -0.087 0.000 1.181 258 Y CB -0.747 37.681 38.460 -0.054 0.000 0.976 258 Y HN 0.492 nan 8.280 nan 0.000 0.520 259 G N -0.294 108.562 108.800 0.095 0.000 2.422 259 G HA2 -0.294 3.848 3.960 0.303 0.000 0.218 259 G HA3 -0.294 3.848 3.960 0.303 0.000 0.218 259 G C 1.754 176.639 174.900 -0.024 0.000 1.146 259 G CA 0.816 45.942 45.100 0.042 0.000 0.769 259 G HN 0.403 nan 8.290 nan 0.000 0.547 260 R N 0.459 120.946 120.500 -0.021 0.000 2.075 260 R HA 0.092 4.614 4.340 0.303 0.000 0.232 260 R C 2.855 179.110 176.300 -0.075 0.000 1.126 260 R CA 1.350 57.436 56.100 -0.024 0.000 0.963 260 R CB -0.380 29.919 30.300 -0.001 0.000 0.858 260 R HN 0.252 nan 8.270 nan 0.000 0.435 261 A N 0.916 123.660 122.820 -0.127 0.000 1.940 261 A HA -0.121 4.381 4.320 0.303 0.000 0.219 261 A C 1.944 179.390 177.584 -0.229 0.000 1.176 261 A CA 1.063 52.994 52.037 -0.178 0.000 0.631 261 A CB -0.280 18.569 19.000 -0.252 0.000 0.814 261 A HN 0.304 nan 8.150 nan 0.000 0.446 262 L N -0.363 120.681 121.223 -0.297 0.000 2.529 262 L HA 0.123 4.645 4.340 0.303 0.000 0.223 262 L C 1.275 178.081 176.870 -0.106 0.000 1.113 262 L CA 0.662 55.359 54.840 -0.238 0.000 0.861 262 L CB -0.879 40.994 42.059 -0.311 0.000 1.012 262 L HN 0.405 nan 8.230 nan 0.000 0.461 263 S N 0.906 116.564 115.700 -0.069 0.000 2.510 263 S HA 0.132 4.784 4.470 0.303 0.000 0.279 263 S C -1.182 173.415 174.600 -0.006 0.000 1.284 263 S CA -1.014 57.177 58.200 -0.015 0.000 1.059 263 S CB 1.172 64.382 63.200 0.018 0.000 0.901 263 S HN -0.010 nan 8.310 nan 0.000 0.491 264 P HA -0.037 nan 4.420 nan 0.000 0.215 264 P C 1.328 178.657 177.300 0.048 0.000 1.153 264 P CA 1.452 64.551 63.100 -0.001 0.000 0.853 264 P CB -0.047 31.651 31.700 -0.004 0.000 0.788 265 A N -0.140 122.732 122.820 0.087 0.000 2.070 265 A HA -0.040 4.462 4.320 0.303 0.000 0.220 265 A C 2.205 179.981 177.584 0.320 0.000 1.159 265 A CA 1.704 53.844 52.037 0.171 0.000 0.656 265 A CB -1.418 17.660 19.000 0.130 0.000 0.800 265 A HN 0.212 nan 8.150 nan 0.000 0.453 266 A N -1.107 121.838 122.820 0.208 0.000 2.119 266 A HA 0.125 4.627 4.320 0.303 0.000 0.216 266 A C 0.705 178.243 177.584 -0.076 0.000 1.152 266 A CA 0.916 53.048 52.037 0.157 0.000 0.708 266 A CB -0.242 18.780 19.000 0.036 0.000 0.805 266 A HN 0.426 nan 8.150 nan 0.000 0.460 267 D N -0.865 119.554 120.400 0.032 0.000 2.751 267 D HA -0.127 4.695 4.640 0.303 0.000 0.233 267 D C -0.298 175.905 176.300 -0.161 0.000 1.149 267 D CA 0.956 54.964 54.000 0.013 0.000 0.682 267 D CB -1.813 39.053 40.800 0.110 0.000 1.068 267 D HN 0.228 nan 8.370 nan 0.000 0.429 268 V N 0.931 120.742 119.914 -0.172 0.000 2.521 268 V HA 0.152 4.454 4.120 0.303 0.000 0.286 268 V C 1.090 177.077 176.094 -0.179 0.000 1.034 268 V CA 0.078 62.251 62.300 -0.211 0.000 1.045 268 V CB 1.040 32.769 31.823 -0.156 0.000 0.974 268 V HN 0.091 nan 8.190 nan 0.000 0.480 269 L N 5.511 126.586 121.223 -0.246 0.000 2.330 269 L HA 0.572 5.094 4.340 0.303 0.000 0.271 269 L C -0.378 176.318 176.870 -0.289 0.000 1.013 269 L CA -0.771 53.931 54.840 -0.230 0.000 0.816 269 L CB 2.014 43.928 42.059 -0.242 0.000 1.287 269 L HN 0.432 nan 8.230 nan 0.000 0.435 270 L N 2.741 123.824 121.223 -0.233 0.000 2.314 270 L HA 0.442 4.964 4.340 0.303 0.000 0.275 270 L C 0.281 177.021 176.870 -0.216 0.000 1.068 270 L CA -0.330 54.382 54.840 -0.214 0.000 0.894 270 L CB 0.848 42.829 42.059 -0.130 0.000 1.275 270 L HN 0.624 nan 8.230 nan 0.000 0.432 271 A N 2.425 125.071 122.820 -0.289 0.000 2.366 271 A HA 0.422 4.924 4.320 0.303 0.000 0.272 271 A C -0.018 177.443 177.584 -0.205 0.000 1.135 271 A CA -0.228 51.619 52.037 -0.317 0.000 0.804 271 A CB 0.162 19.005 19.000 -0.261 0.000 1.064 271 A HN 0.718 nan 8.150 nan 0.000 0.499 272 Y N -0.513 119.751 120.300 -0.060 0.000 2.563 272 Y HA 0.522 5.254 4.550 0.302 0.000 0.250 272 Y C 0.021 175.910 175.900 -0.018 0.000 1.126 272 Y CA -0.622 57.434 58.100 -0.073 0.000 1.231 272 Y CB -0.116 38.292 38.460 -0.087 0.000 1.288 272 Y HN 0.557 nan 8.280 nan 0.000 0.537 273 E N 1.821 122.000 120.200 -0.034 0.000 2.317 273 E HA 0.556 5.088 4.350 0.303 0.000 0.270 273 E C -1.584 174.988 176.600 -0.047 0.000 0.885 273 E CA -1.051 55.354 56.400 0.008 0.000 0.760 273 E CB 2.807 32.511 29.700 0.006 0.000 1.227 273 E HN 0.244 nan 8.360 nan 0.000 0.434 274 M N 3.387 122.905 119.600 -0.138 0.000 2.183 274 M HA 0.317 4.979 4.480 0.303 0.000 0.277 274 M C -1.342 174.733 176.300 -0.376 0.000 0.995 274 M CA -0.307 54.753 55.300 -0.400 0.000 0.969 274 M CB 0.985 33.302 32.600 -0.472 0.000 1.659 274 M HN 0.482 nan 8.290 nan 0.000 0.462 275 N N 3.538 121.985 118.700 -0.421 0.000 2.725 275 N HA -0.179 4.743 4.740 0.303 0.000 0.251 275 N C 0.656 176.067 175.510 -0.165 0.000 1.031 275 N CA 1.749 54.628 53.050 -0.284 0.000 0.720 275 N CB -1.383 36.932 38.487 -0.286 0.000 0.930 275 N HN 1.244 nan 8.380 nan 0.000 0.543 276 G N -2.139 106.583 108.800 -0.130 0.000 2.184 276 G HA2 -0.344 3.798 3.960 0.303 0.000 0.264 276 G HA3 -0.344 3.798 3.960 0.303 0.000 0.264 276 G C 0.305 175.181 174.900 -0.039 0.000 0.975 276 G CA 1.545 46.605 45.100 -0.067 0.000 0.642 276 G HN 1.195 nan 8.290 nan 0.000 0.536 277 T N -2.249 112.275 114.554 -0.050 0.000 2.888 277 T HA 0.685 5.217 4.350 0.303 0.000 0.288 277 T C 0.105 174.816 174.700 0.018 0.000 1.063 277 T CA -0.014 62.077 62.100 -0.015 0.000 1.010 277 T CB 2.104 70.953 68.868 -0.033 0.000 1.214 277 T HN 0.822 nan 8.240 nan 0.000 0.533 278 E N 1.092 121.330 120.200 0.063 0.000 2.404 278 E HA 0.254 4.786 4.350 0.303 0.000 0.261 278 E C -0.346 176.334 176.600 0.134 0.000 1.074 278 E CA -0.823 55.662 56.400 0.142 0.000 0.917 278 E CB 0.385 30.217 29.700 0.221 0.000 0.965 278 E HN 0.556 nan 8.360 nan 0.000 0.433 279 L N 3.216 124.549 121.223 0.184 0.000 2.601 279 L HA 0.051 4.573 4.340 0.303 0.000 0.277 279 L C -1.863 175.136 176.870 0.214 0.000 1.219 279 L CA -1.286 53.647 54.840 0.156 0.000 0.915 279 L CB -0.150 41.988 42.059 0.132 0.000 1.160 279 L HN 0.480 nan 8.230 nan 0.000 0.494 280 P HA 0.086 nan 4.420 nan 0.000 0.270 280 P C 0.343 177.745 177.300 0.169 0.000 1.223 280 P CA -0.246 62.920 63.100 0.111 0.000 0.785 280 P CB 0.542 32.337 31.700 0.159 0.000 0.923 281 R N 0.906 121.483 120.500 0.128 0.000 2.096 281 R HA -0.173 4.349 4.340 0.303 0.000 0.240 281 R C 1.344 177.850 176.300 0.345 0.000 1.139 281 R CA 1.669 57.927 56.100 0.264 0.000 0.952 281 R CB -0.588 29.785 30.300 0.122 0.000 0.854 281 R HN 0.545 nan 8.270 nan 0.000 0.436 282 D N -0.532 119.926 120.400 0.095 0.000 2.263 282 D HA -0.105 4.717 4.640 0.303 0.000 0.208 282 D C 0.969 177.062 176.300 -0.344 0.000 0.971 282 D CA 1.123 55.093 54.000 -0.050 0.000 0.867 282 D CB 0.030 40.646 40.800 -0.306 0.000 0.929 282 D HN 0.391 nan 8.370 nan 0.000 0.492 283 H N -1.429 117.599 119.070 -0.070 0.000 2.528 283 H HA 0.371 5.111 4.556 0.306 0.000 0.282 283 H C 1.233 176.288 175.328 -0.454 0.000 1.097 283 H CA 0.562 56.438 56.048 -0.287 0.000 1.121 283 H CB 1.007 30.610 29.762 -0.264 0.000 1.590 283 H HN 0.133 nan 8.280 nan 0.000 0.553 284 G N 1.127 109.577 108.800 -0.583 0.000 2.154 284 G HA2 -0.250 3.892 3.960 0.303 0.000 0.186 284 G HA3 -0.250 3.892 3.960 0.303 0.000 0.186 284 G C -0.002 174.685 174.900 -0.355 0.000 1.000 284 G CA -0.446 44.038 45.100 -1.027 0.000 0.664 284 G HN 0.323 nan 8.290 nan 0.000 0.513 285 F N 2.669 122.586 119.950 -0.055 0.000 2.604 285 F HA 0.327 5.034 4.527 0.300 0.000 0.393 285 F C -0.220 175.624 175.800 0.074 0.000 1.043 285 F CA -0.124 57.893 58.000 0.028 0.000 1.227 285 F CB 0.986 40.029 39.000 0.072 0.000 1.016 285 F HN 0.024 nan 8.300 nan 0.000 0.556 286 P HA 0.063 nan 4.420 nan 0.000 0.245 286 P C -0.720 176.218 177.300 -0.603 0.000 1.199 286 P CA 0.593 62.883 63.100 -1.350 0.000 0.807 286 P CB 0.711 31.497 31.700 -1.524 0.000 1.002 287 V N 1.423 121.065 119.914 -0.454 0.000 2.668 287 V HA 0.372 4.674 4.120 0.303 0.000 0.304 287 V C -0.087 175.864 176.094 -0.239 0.000 1.071 287 V CA -0.797 61.355 62.300 -0.247 0.000 0.894 287 V CB 2.613 34.353 31.823 -0.138 0.000 1.008 287 V HN 0.115 nan 8.190 nan 0.000 0.425 288 R N 3.198 123.530 120.500 -0.279 0.000 2.854 288 R HA 0.900 5.422 4.340 0.303 0.000 0.271 288 R C -1.477 174.575 176.300 -0.414 0.000 0.994 288 R CA -0.794 55.084 56.100 -0.370 0.000 0.945 288 R CB 2.024 32.040 30.300 -0.472 0.000 1.194 288 R HN 0.315 nan 8.270 nan 0.000 0.476 289 V N 1.791 121.406 119.914 -0.499 0.000 2.583 289 V HA 0.279 4.581 4.120 0.303 0.000 0.287 289 V C -0.234 175.497 176.094 -0.606 0.000 1.051 289 V CA -0.566 61.367 62.300 -0.611 0.000 1.010 289 V CB 1.429 32.687 31.823 -0.942 0.000 0.988 289 V HN 0.516 nan 8.190 nan 0.000 0.478 290 V N 5.169 124.716 119.914 -0.611 0.000 2.407 290 V HA 0.345 4.647 4.120 0.303 0.000 0.291 290 V C -0.277 175.505 176.094 -0.519 0.000 1.018 290 V CA -0.507 61.367 62.300 -0.710 0.000 0.842 290 V CB 1.886 33.078 31.823 -1.051 0.000 0.996 290 V HN 0.619 nan 8.190 nan 0.000 0.426 291 V N 7.353 127.016 119.914 -0.419 0.000 2.277 291 V HA 0.320 4.621 4.120 0.303 0.000 0.269 291 V C -2.272 173.622 176.094 -0.333 0.000 1.036 291 V CA -1.943 60.168 62.300 -0.315 0.000 0.821 291 V CB 1.050 32.773 31.823 -0.167 0.000 1.052 291 V HN 0.690 nan 8.190 nan 0.000 0.462 292 P HA 0.223 nan 4.420 nan 0.000 0.265 292 P C 1.114 178.216 177.300 -0.331 0.000 1.193 292 P CA 1.114 63.850 63.100 -0.606 0.000 0.765 292 P CB 0.783 31.521 31.700 -1.603 0.000 0.823 293 G N 0.720 109.664 108.800 0.241 0.000 2.184 293 G HA2 -0.187 3.955 3.960 0.303 0.000 0.264 293 G HA3 -0.187 3.955 3.960 0.303 0.000 0.264 293 G C -0.040 175.043 174.900 0.304 0.000 0.975 293 G CA 0.022 45.385 45.100 0.438 0.000 0.642 293 G HN 0.555 nan 8.290 nan 0.000 0.536 294 V N 0.289 120.331 119.914 0.213 0.000 2.769 294 V HA 0.681 4.983 4.120 0.303 0.000 0.312 294 V C 1.049 177.216 176.094 0.121 0.000 1.061 294 V CA -0.430 61.952 62.300 0.137 0.000 0.931 294 V CB 1.942 33.790 31.823 0.041 0.000 1.010 294 V HN 0.589 nan 8.190 nan 0.000 0.433 295 V N 4.127 124.101 119.914 0.099 0.000 2.843 295 V HA 0.082 4.384 4.120 0.303 0.000 0.305 295 V C 1.717 177.781 176.094 -0.050 0.000 1.120 295 V CA 1.537 63.855 62.300 0.029 0.000 1.254 295 V CB 1.190 33.021 31.823 0.013 0.000 0.901 295 V HN 1.127 nan 8.190 nan 0.000 0.503 296 G N 4.781 113.532 108.800 -0.082 0.000 2.503 296 G HA2 -0.287 3.854 3.960 0.303 0.000 0.221 296 G HA3 -0.287 3.854 3.960 0.303 0.000 0.221 296 G C 1.576 176.404 174.900 -0.120 0.000 1.131 296 G CA 1.116 46.165 45.100 -0.085 0.000 0.756 296 G HN 1.374 nan 8.290 nan 0.000 0.572 297 A N 0.340 123.048 122.820 -0.187 0.000 2.076 297 A HA -0.044 4.458 4.320 0.303 0.000 0.220 297 A C 2.378 179.977 177.584 0.026 0.000 1.160 297 A CA 1.511 53.431 52.037 -0.195 0.000 0.653 297 A CB -0.193 18.398 19.000 -0.681 0.000 0.801 297 A HN 0.261 nan 8.150 nan 0.000 0.455 298 R N 0.070 120.569 120.500 -0.001 0.000 2.280 298 R HA 0.151 4.673 4.340 0.303 0.000 0.195 298 R C 0.190 176.500 176.300 0.016 0.000 0.935 298 R CA 0.228 56.377 56.100 0.082 0.000 1.033 298 R CB -0.774 29.575 30.300 0.081 0.000 0.964 298 R HN 0.325 nan 8.270 nan 0.000 0.489 299 S N 1.731 117.362 115.700 -0.115 0.000 3.869 299 S HA 0.168 4.820 4.470 0.303 0.000 0.241 299 S C 0.073 174.510 174.600 -0.271 0.000 1.363 299 S CA -0.299 57.736 58.200 -0.276 0.000 0.894 299 S CB 0.264 63.246 63.200 -0.363 0.000 1.519 299 S HN -0.108 nan 8.310 nan 0.000 0.470 300 V N 4.536 124.323 119.914 -0.212 0.000 2.485 300 V HA 0.055 4.357 4.120 0.303 0.000 0.287 300 V C 0.749 176.681 176.094 -0.269 0.000 1.022 300 V CA 0.153 62.390 62.300 -0.106 0.000 1.067 300 V CB 0.073 31.940 31.823 0.075 0.000 0.967 300 V HN 0.572 nan 8.190 nan 0.000 0.479 301 K N 4.556 124.742 120.400 -0.356 0.000 2.098 301 K HA 0.251 4.753 4.320 0.303 0.000 0.257 301 K C -0.156 176.266 176.600 -0.298 0.000 0.999 301 K CA -0.522 55.359 56.287 -0.676 0.000 0.924 301 K CB 0.582 32.200 32.500 -1.470 0.000 1.028 301 K HN 0.720 nan 8.250 nan 0.000 0.466 302 W N 1.387 122.654 121.300 -0.054 0.000 6.562 302 W HA -0.214 4.620 4.660 0.289 0.000 0.418 302 W C -0.336 176.214 176.519 0.053 0.000 1.645 302 W CA -0.439 56.897 57.345 -0.014 0.000 1.086 302 W CB -1.923 27.547 29.460 0.017 0.000 2.865 302 W HN 0.389 nan 8.180 nan 0.000 1.517 303 L N 2.133 123.446 121.223 0.150 0.000 2.513 303 L HA 0.044 4.566 4.340 0.303 0.000 0.272 303 L C 1.836 178.862 176.870 0.259 0.000 1.187 303 L CA 1.008 55.943 54.840 0.157 0.000 0.895 303 L CB 0.487 42.569 42.059 0.038 0.000 1.147 303 L HN 0.267 nan 8.230 nan 0.000 0.483 304 R N 3.863 124.487 120.500 0.206 0.000 2.316 304 R HA 0.289 4.811 4.340 0.303 0.000 0.201 304 R C 0.379 176.734 176.300 0.091 0.000 0.888 304 R CA -0.310 55.875 56.100 0.142 0.000 1.041 304 R CB 0.443 30.821 30.300 0.129 0.000 1.115 304 R HN 0.583 nan 8.270 nan 0.000 0.559 305 R N 0.583 121.161 120.500 0.130 0.000 2.643 305 R HA 0.438 4.960 4.340 0.303 0.000 0.269 305 R C -1.973 174.433 176.300 0.177 0.000 1.037 305 R CA -0.645 55.529 56.100 0.123 0.000 0.894 305 R CB 2.730 33.091 30.300 0.101 0.000 1.238 305 R HN 0.007 nan 8.270 nan 0.000 0.459 306 V N 2.376 122.383 119.914 0.156 0.000 2.531 306 V HA 0.860 5.162 4.120 0.303 0.000 0.301 306 V C -0.794 175.356 176.094 0.092 0.000 1.034 306 V CA -0.577 61.825 62.300 0.169 0.000 0.865 306 V CB 1.542 33.477 31.823 0.188 0.000 0.995 306 V HN 0.926 nan 8.190 nan 0.000 0.424 307 A N 4.014 126.849 122.820 0.024 0.000 2.515 307 A HA 0.896 5.398 4.320 0.303 0.000 0.298 307 A C -1.178 176.386 177.584 -0.032 0.000 1.059 307 A CA -0.595 51.462 52.037 0.033 0.000 0.698 307 A CB 2.067 21.100 19.000 0.054 0.000 1.289 307 A HN 0.621 nan 8.150 nan 0.000 0.404 308 V N 1.479 121.386 119.914 -0.011 0.000 2.439 308 V HA 0.707 5.009 4.120 0.303 0.000 0.282 308 V C 0.441 176.658 176.094 0.206 0.000 1.039 308 V CA -0.056 62.244 62.300 -0.000 0.000 0.913 308 V CB 1.361 33.008 31.823 -0.293 0.000 0.983 308 V HN 0.984 nan 8.190 nan 0.000 0.460 309 S N 5.485 121.334 115.700 0.249 0.000 2.569 309 S HA 0.613 5.265 4.470 0.303 0.000 0.280 309 S C -2.140 172.469 174.600 0.017 0.000 1.111 309 S CA -1.431 56.873 58.200 0.175 0.000 0.887 309 S CB 2.477 65.706 63.200 0.048 0.000 1.095 309 S HN 0.507 nan 8.310 nan 0.000 0.476 310 P HA 0.145 nan 4.420 nan 0.000 0.229 310 P C -0.452 176.661 177.300 -0.311 0.000 1.160 310 P CA 0.797 63.349 63.100 -0.915 0.000 0.777 310 P CB -0.027 31.107 31.700 -0.943 0.000 0.814 311 D N -0.324 119.991 120.400 -0.142 0.000 2.423 311 D HA 0.218 5.040 4.640 0.303 0.000 0.235 311 D C 0.186 176.315 176.300 -0.285 0.000 1.011 311 D CA -0.715 53.194 54.000 -0.152 0.000 0.963 311 D CB 1.613 42.316 40.800 -0.161 0.000 1.349 311 D HN -0.041 nan 8.370 nan 0.000 0.508 312 E N 0.116 119.940 120.200 -0.626 0.000 2.438 312 E HA 0.052 4.584 4.350 0.303 0.000 0.261 312 E C 0.158 176.600 176.600 -0.263 0.000 1.103 312 E CA 0.162 56.200 56.400 -0.604 0.000 0.959 312 E CB 0.591 30.006 29.700 -0.475 0.000 0.958 312 E HN 0.234 nan 8.360 nan 0.000 0.447 313 S N 1.965 117.550 115.700 -0.192 0.000 2.552 313 S HA 0.015 4.667 4.470 0.303 0.000 0.289 313 S C -1.614 172.924 174.600 -0.104 0.000 1.304 313 S CA -1.157 56.973 58.200 -0.118 0.000 1.063 313 S CB 0.574 63.720 63.200 -0.090 0.000 0.848 313 S HN 0.318 nan 8.310 nan 0.000 0.499 314 P HA 0.107 nan 4.420 nan 0.000 0.257 314 P C 0.290 177.548 177.300 -0.070 0.000 1.281 314 P CA -0.130 62.926 63.100 -0.073 0.000 0.826 314 P CB -0.121 31.546 31.700 -0.056 0.000 1.237 315 S N 0.116 115.782 115.700 -0.056 0.000 2.563 315 S HA -0.102 4.549 4.470 0.303 0.000 0.284 315 S C 1.471 175.993 174.600 -0.130 0.000 1.331 315 S CA 0.085 58.257 58.200 -0.047 0.000 1.047 315 S CB 0.044 63.247 63.200 0.005 0.000 0.859 315 S HN 0.284 nan 8.310 nan 0.000 0.514 316 H N 3.790 122.641 119.070 -0.365 0.000 2.422 316 H HA -0.062 4.680 4.556 0.310 0.000 0.298 316 H C 1.330 176.345 175.328 -0.522 0.000 1.098 316 H CA 2.434 58.133 56.048 -0.580 0.000 1.315 316 H CB -0.014 29.163 29.762 -0.974 0.000 1.382 316 H HN 0.747 nan 8.280 nan 0.000 0.523 317 W N -0.062 121.135 121.300 -0.172 0.000 2.770 317 W HA 0.053 4.808 4.660 0.158 0.000 0.256 317 W C 1.884 178.412 176.519 0.014 0.000 1.291 317 W CA 0.581 57.880 57.345 -0.076 0.000 1.396 317 W CB -0.084 29.397 29.460 0.034 0.000 1.114 317 W HN 0.405 nan 8.180 nan 0.000 0.637 318 Q N 0.274 120.118 119.800 0.073 0.000 2.226 318 Q HA -0.080 4.442 4.340 0.303 0.000 0.199 318 Q C 2.208 178.195 176.000 -0.020 0.000 0.945 318 Q CA 1.290 57.119 55.803 0.044 0.000 0.861 318 Q CB -0.102 28.628 28.738 -0.013 0.000 0.953 318 Q HN -0.044 nan 8.270 nan 0.000 0.490 319 Q N -0.315 119.412 119.800 -0.122 0.000 2.165 319 Q HA 0.156 4.678 4.340 0.303 0.000 0.197 319 Q C 0.309 176.189 176.000 -0.200 0.000 0.952 319 Q CA 0.802 56.531 55.803 -0.123 0.000 0.848 319 Q CB 0.455 29.113 28.738 -0.135 0.000 0.931 319 Q HN 0.354 nan 8.270 nan 0.000 0.470 320 N N 0.866 119.250 118.700 -0.526 0.000 2.433 320 N HA 0.142 5.064 4.740 0.303 0.000 0.270 320 N C -1.022 173.694 175.510 -1.324 0.000 1.354 320 N CA 0.096 52.514 53.050 -1.054 0.000 0.889 320 N CB 1.397 39.402 38.487 -0.803 0.000 1.285 320 N HN 0.081 nan 8.380 nan 0.000 0.503 321 D N -0.821 119.171 120.400 -0.679 0.000 2.692 321 D HA 0.198 5.020 4.640 0.303 0.000 0.290 321 D C -0.870 175.490 176.300 0.100 0.000 1.281 321 D CA -0.247 53.566 54.000 -0.311 0.000 0.804 321 D CB 0.683 41.250 40.800 -0.389 0.000 1.331 321 D HN -0.033 nan 8.370 nan 0.000 0.432 322 Y N -0.667 119.823 120.300 0.316 0.000 3.125 322 Y HA -0.231 4.498 4.550 0.298 0.000 0.200 322 Y C 0.100 176.103 175.900 0.171 0.000 1.373 322 Y CA 0.743 58.985 58.100 0.237 0.000 1.180 322 Y CB -1.456 37.132 38.460 0.215 0.000 1.381 322 Y HN 0.131 nan 8.280 nan 0.000 0.501 323 K N -0.403 120.139 120.400 0.237 0.000 2.482 323 K HA 0.803 5.305 4.320 0.303 0.000 0.257 323 K C 0.429 176.835 176.600 -0.322 0.000 0.969 323 K CA -0.641 55.608 56.287 -0.063 0.000 0.842 323 K CB 2.509 34.922 32.500 -0.145 0.000 1.359 323 K HN 0.191 nan 8.250 nan 0.000 0.441 324 G N 1.199 109.703 108.800 -0.495 0.000 2.388 324 G HA2 0.677 4.819 3.960 0.303 0.000 0.330 324 G HA3 0.677 4.819 3.960 0.303 0.000 0.330 324 G C -1.188 173.226 174.900 -0.810 0.000 1.142 324 G CA -0.308 44.529 45.100 -0.439 0.000 0.908 324 G HN 0.283 nan 8.290 nan 0.000 0.473 325 F N -0.061 119.801 119.950 -0.146 0.000 2.611 325 F HA 0.593 5.299 4.527 0.298 0.000 0.324 325 F C 0.798 176.543 175.800 -0.092 0.000 1.061 325 F CA -0.888 57.021 58.000 -0.151 0.000 0.954 325 F CB 2.184 41.044 39.000 -0.233 0.000 1.301 325 F HN 0.441 nan 8.300 nan 0.000 0.482 326 S N 2.566 118.350 115.700 0.140 0.000 2.568 326 S HA 0.118 4.769 4.470 0.303 0.000 0.282 326 S C -1.391 173.286 174.600 0.130 0.000 1.338 326 S CA -1.075 57.182 58.200 0.095 0.000 1.045 326 S CB 0.616 63.860 63.200 0.073 0.000 0.873 326 S HN 0.423 nan 8.310 nan 0.000 0.516 327 P HA -0.016 nan 4.420 nan 0.000 0.228 327 P C 1.502 178.930 177.300 0.213 0.000 1.151 327 P CA 0.796 64.057 63.100 0.269 0.000 0.770 327 P CB -0.711 31.129 31.700 0.234 0.000 0.786 328 C N -2.671 116.693 119.300 0.107 0.000 2.481 328 C HA 0.175 4.817 4.460 0.303 0.000 0.275 328 C C 1.264 176.276 174.990 0.037 0.000 1.419 328 C CA -0.557 58.494 59.018 0.055 0.000 1.773 328 C CB -1.564 26.193 27.740 0.028 0.000 1.862 328 C HN -0.066 nan 8.230 nan 0.000 0.530 329 V N 3.003 122.935 119.914 0.030 0.000 2.637 329 V HA 0.322 4.624 4.120 0.303 0.000 0.296 329 V C -0.030 176.001 176.094 -0.106 0.000 1.046 329 V CA 1.087 63.341 62.300 -0.076 0.000 1.066 329 V CB 0.703 32.427 31.823 -0.164 0.000 0.968 329 V HN 0.530 nan 8.190 nan 0.000 0.483 330 D N 2.157 122.460 120.400 -0.163 0.000 2.614 330 D HA 0.323 5.144 4.640 0.303 0.000 0.264 330 D C 0.384 176.516 176.300 -0.280 0.000 1.092 330 D CA -0.677 53.204 54.000 -0.198 0.000 1.071 330 D CB 1.140 41.931 40.800 -0.015 0.000 1.443 330 D HN 0.369 nan 8.370 nan 0.000 0.528 331 W N 0.203 121.508 121.300 0.009 0.000 2.331 331 W HA -0.133 4.710 4.660 0.306 0.000 0.291 331 W C 1.739 178.245 176.519 -0.022 0.000 1.214 331 W CA 1.260 58.598 57.345 -0.011 0.000 1.228 331 W CB -0.093 29.379 29.460 0.020 0.000 1.135 331 W HN 0.460 nan 8.180 nan 0.000 0.537 332 D N -1.113 119.384 120.400 0.161 0.000 2.355 332 D HA -0.064 4.758 4.640 0.303 0.000 0.218 332 D C 1.481 177.798 176.300 0.029 0.000 1.004 332 D CA 1.606 55.662 54.000 0.093 0.000 0.880 332 D CB -1.069 39.779 40.800 0.079 0.000 0.911 332 D HN 0.268 nan 8.370 nan 0.000 0.528 333 T N -3.303 111.235 114.554 -0.025 0.000 2.958 333 T HA 0.164 4.696 4.350 0.303 0.000 0.256 333 T C 0.766 175.378 174.700 -0.147 0.000 0.983 333 T CA -0.191 61.870 62.100 -0.066 0.000 0.924 333 T CB -0.230 68.602 68.868 -0.061 0.000 1.136 333 T HN -0.001 nan 8.240 nan 0.000 0.506 334 V N 2.979 122.742 119.914 -0.252 0.000 2.617 334 V HA 0.333 4.635 4.120 0.303 0.000 0.304 334 V C -0.728 175.201 176.094 -0.276 0.000 1.040 334 V CA 0.506 62.508 62.300 -0.497 0.000 1.149 334 V CB 0.748 32.118 31.823 -0.754 0.000 0.914 334 V HN 0.575 nan 8.190 nan 0.000 0.487 335 D N 5.175 125.404 120.400 -0.285 0.000 2.336 335 D HA 0.202 5.024 4.640 0.303 0.000 0.248 335 D C 0.159 176.504 176.300 0.075 0.000 1.326 335 D CA -0.386 53.598 54.000 -0.028 0.000 0.973 335 D CB 0.648 41.451 40.800 0.006 0.000 1.255 335 D HN 0.538 nan 8.370 nan 0.000 0.558 336 Y N 1.912 122.272 120.300 0.101 0.000 2.556 336 Y HA -0.106 4.631 4.550 0.311 0.000 0.290 336 Y C 2.015 178.009 175.900 0.156 0.000 1.149 336 Y CA 1.006 59.253 58.100 0.245 0.000 1.329 336 Y CB 0.104 38.651 38.460 0.145 0.000 0.975 336 Y HN 0.290 nan 8.280 nan 0.000 0.561 337 R N -0.876 119.748 120.500 0.207 0.000 2.307 337 R HA -0.046 4.476 4.340 0.303 0.000 0.199 337 R C 1.850 178.203 176.300 0.089 0.000 1.000 337 R CA 1.352 57.523 56.100 0.118 0.000 1.023 337 R CB -0.331 30.015 30.300 0.077 0.000 0.908 337 R HN 0.312 nan 8.270 nan 0.000 0.473 338 T N -3.256 111.366 114.554 0.114 0.000 3.107 338 T HA 0.464 4.996 4.350 0.303 0.000 0.249 338 T C 0.434 175.144 174.700 0.018 0.000 1.096 338 T CA -0.002 62.144 62.100 0.076 0.000 1.012 338 T CB 0.521 69.451 68.868 0.104 0.000 0.977 338 T HN 0.098 nan 8.240 nan 0.000 0.527 339 A N 2.033 124.836 122.820 -0.028 0.000 2.539 339 A HA 0.797 5.299 4.320 0.303 0.000 0.296 339 A C -3.035 174.495 177.584 -0.091 0.000 1.073 339 A CA -1.906 50.035 52.037 -0.161 0.000 0.700 339 A CB 1.419 20.112 19.000 -0.512 0.000 1.296 339 A HN 0.177 nan 8.150 nan 0.000 0.405 340 P HA 0.472 nan 4.420 nan 0.000 0.281 340 P C -0.063 177.230 177.300 -0.011 0.000 1.249 340 P CA -0.049 63.035 63.100 -0.026 0.000 0.810 340 P CB 1.241 32.932 31.700 -0.015 0.000 1.008 341 A N 3.562 126.401 122.820 0.032 0.000 2.540 341 A HA 0.135 4.637 4.320 0.303 0.000 0.239 341 A C 0.717 178.343 177.584 0.069 0.000 1.061 341 A CA -0.251 51.829 52.037 0.072 0.000 0.758 341 A CB -0.854 18.191 19.000 0.074 0.000 0.991 341 A HN 0.515 nan 8.150 nan 0.000 0.502 342 I N 2.786 123.417 120.570 0.100 0.000 2.662 342 I HA -0.059 4.293 4.170 0.303 0.000 0.285 342 I C 1.131 177.299 176.117 0.085 0.000 1.161 342 I CA 0.201 61.555 61.300 0.090 0.000 1.415 342 I CB 0.278 38.352 38.000 0.124 0.000 1.385 342 I HN 0.764 nan 8.210 nan 0.000 0.552 343 Q N 5.002 124.846 119.800 0.073 0.000 2.362 343 Q HA 0.277 4.799 4.340 0.303 0.000 0.190 343 Q C 0.027 176.078 176.000 0.084 0.000 0.763 343 Q CA -0.075 55.772 55.803 0.074 0.000 0.681 343 Q CB -0.116 28.664 28.738 0.071 0.000 2.020 343 Q HN 0.564 nan 8.270 nan 0.000 0.483 344 E N 1.357 121.604 120.200 0.079 0.000 2.415 344 E HA 0.167 4.698 4.350 0.303 0.000 0.262 344 E C -0.379 176.277 176.600 0.093 0.000 1.038 344 E CA 0.094 56.546 56.400 0.087 0.000 0.921 344 E CB 0.544 30.278 29.700 0.058 0.000 0.950 344 E HN 0.154 nan 8.360 nan 0.000 0.438 345 L N 3.580 124.877 121.223 0.124 0.000 2.334 345 L HA 0.450 4.972 4.340 0.303 0.000 0.270 345 L C -1.991 174.922 176.870 0.072 0.000 1.018 345 L CA -2.188 52.746 54.840 0.157 0.000 0.811 345 L CB 1.202 43.478 42.059 0.362 0.000 1.271 345 L HN 0.398 nan 8.230 nan 0.000 0.443 346 P HA 0.053 nan 4.420 nan 0.000 0.276 346 P C -0.516 176.827 177.300 0.072 0.000 1.261 346 P CA -0.329 62.804 63.100 0.055 0.000 0.800 346 P CB 1.133 32.874 31.700 0.069 0.000 1.066 347 V N 1.007 120.943 119.914 0.037 0.000 2.673 347 V HA 0.069 4.371 4.120 0.303 0.000 0.303 347 V C -0.037 176.150 176.094 0.156 0.000 1.046 347 V CA 0.951 63.286 62.300 0.059 0.000 1.126 347 V CB 0.076 31.907 31.823 0.012 0.000 0.934 347 V HN 0.674 nan 8.190 nan 0.000 0.487 348 Q N 4.834 124.777 119.800 0.238 0.000 2.416 348 Q HA 0.754 5.276 4.340 0.303 0.000 0.281 348 Q C -1.129 175.055 176.000 0.307 0.000 1.067 348 Q CA -0.052 55.926 55.803 0.292 0.000 0.809 348 Q CB 2.519 31.494 28.738 0.395 0.000 1.418 348 Q HN 1.170 nan 8.270 nan 0.000 0.411 349 S N 0.760 116.594 115.700 0.222 0.000 2.552 349 S HA 1.010 5.662 4.470 0.303 0.000 0.272 349 S C -1.516 173.050 174.600 -0.057 0.000 1.150 349 S CA -0.249 58.023 58.200 0.119 0.000 0.849 349 S CB 1.213 64.492 63.200 0.132 0.000 1.113 349 S HN 1.237 nan 8.310 nan 0.000 0.458 350 A N 0.957 123.561 122.820 -0.360 0.000 2.609 350 A HA 0.796 5.298 4.320 0.303 0.000 0.291 350 A C -1.277 176.289 177.584 -0.030 0.000 1.096 350 A CA -0.794 51.098 52.037 -0.243 0.000 0.684 350 A CB 1.352 19.980 19.000 -0.622 0.000 1.282 350 A HN 1.427 nan 8.150 nan 0.000 0.412 351 V N 1.761 121.889 119.914 0.356 0.000 2.383 351 V HA 0.390 4.692 4.120 0.303 0.000 0.275 351 V C 1.349 177.490 176.094 0.079 0.000 1.036 351 V CA 0.568 62.993 62.300 0.208 0.000 0.889 351 V CB 0.616 32.579 31.823 0.233 0.000 0.985 351 V HN 1.176 nan 8.190 nan 0.000 0.459 352 T N 0.758 115.248 114.554 -0.106 0.000 3.037 352 T HA 0.139 4.671 4.350 0.303 0.000 0.252 352 T C 0.475 175.145 174.700 -0.050 0.000 1.073 352 T CA 0.182 62.248 62.100 -0.056 0.000 1.091 352 T CB 0.279 69.087 68.868 -0.099 0.000 0.935 352 T HN 0.581 nan 8.240 nan 0.000 0.488 353 Q N 1.519 121.263 119.800 -0.094 0.000 2.268 353 Q HA 0.442 4.964 4.340 0.303 0.000 0.266 353 Q C -3.107 172.865 176.000 -0.047 0.000 1.006 353 Q CA -2.337 53.425 55.803 -0.067 0.000 0.824 353 Q CB 2.846 31.527 28.738 -0.095 0.000 1.306 353 Q HN 0.060 nan 8.270 nan 0.000 0.424 354 P HA 0.248 nan 4.420 nan 0.000 0.289 354 P C -0.893 176.410 177.300 0.006 0.000 1.299 354 P CA -0.381 62.715 63.100 -0.007 0.000 0.766 354 P CB 0.944 32.642 31.700 -0.002 0.000 1.226 355 R N -0.834 119.674 120.500 0.013 0.000 2.720 355 R HA 0.507 5.028 4.340 0.303 0.000 0.272 355 R C -2.258 174.055 176.300 0.022 0.000 0.991 355 R CA -2.224 53.892 56.100 0.028 0.000 1.010 355 R CB -0.362 29.958 30.300 0.033 0.000 1.141 355 R HN 0.344 nan 8.270 nan 0.000 0.494 356 P HA 0.050 nan 4.420 nan 0.000 0.267 356 P C 0.635 177.947 177.300 0.020 0.000 1.205 356 P CA 0.829 63.942 63.100 0.022 0.000 0.765 356 P CB 0.456 32.177 31.700 0.036 0.000 0.828 357 G N 2.093 110.900 108.800 0.013 0.000 2.232 357 G HA2 -0.180 3.962 3.960 0.303 0.000 0.226 357 G HA3 -0.180 3.962 3.960 0.303 0.000 0.226 357 G C 0.485 175.391 174.900 0.009 0.000 0.996 357 G CA -0.059 45.048 45.100 0.012 0.000 0.626 357 G HN 0.835 nan 8.290 nan 0.000 0.509 358 A N 0.316 123.141 122.820 0.009 0.000 2.555 358 A HA 0.592 5.094 4.320 0.303 0.000 0.233 358 A C 0.842 178.428 177.584 0.003 0.000 1.060 358 A CA 1.512 53.552 52.037 0.006 0.000 0.759 358 A CB 0.292 19.295 19.000 0.005 0.000 0.995 358 A HN 2.164 nan 8.150 nan 0.000 0.506 359 A N 2.515 125.336 122.820 0.003 0.000 2.328 359 A HA 0.551 5.052 4.320 0.303 0.000 0.318 359 A C 0.053 177.637 177.584 0.000 0.000 1.347 359 A CA -0.078 51.959 52.037 0.001 0.000 0.842 359 A CB 0.052 19.053 19.000 0.002 0.000 1.148 359 A HN 2.092 nan 8.150 nan 0.000 0.499 360 V N 0.795 120.708 119.914 -0.001 0.000 2.644 360 V HA 0.719 5.021 4.120 0.303 0.000 0.295 360 V C -2.548 173.545 176.094 -0.002 0.000 1.053 360 V CA -2.376 59.923 62.300 -0.001 0.000 0.987 360 V CB 1.112 32.934 31.823 -0.002 0.000 1.006 360 V HN 0.632 nan 8.190 nan 0.000 0.472 361 P HA 0.322 nan 4.420 nan 0.000 0.272 361 P C -2.653 174.646 177.300 -0.002 0.000 1.223 361 P CA -1.281 61.818 63.100 -0.001 0.000 0.784 361 P CB -0.078 31.621 31.700 -0.001 0.000 0.923 362 P HA 0.216 nan 4.420 nan 0.000 0.274 362 P C 0.724 178.022 177.300 -0.002 0.000 1.256 362 P CA 0.537 63.636 63.100 -0.003 0.000 0.795 362 P CB 0.340 32.038 31.700 -0.003 0.000 1.038 363 G N 0.551 109.350 108.800 -0.002 0.000 2.938 363 G HA2 -0.126 4.016 3.960 0.303 0.000 0.234 363 G HA3 -0.126 4.016 3.960 0.303 0.000 0.234 363 G C -0.786 174.113 174.900 -0.001 0.000 1.707 363 G CA -0.328 44.771 45.100 -0.002 0.000 1.299 363 G HN 0.590 nan 8.290 nan 0.000 0.515 364 E N -0.215 119.985 120.200 -0.000 0.000 2.244 364 E HA 0.680 5.212 4.350 0.303 0.000 0.266 364 E C -1.360 175.242 176.600 0.002 0.000 0.914 364 E CA -0.802 55.599 56.400 0.002 0.000 0.794 364 E CB 2.665 32.367 29.700 0.003 0.000 1.210 364 E HN 0.614 nan 8.360 nan 0.000 0.414 365 L N 0.812 122.038 121.223 0.005 0.000 2.438 365 L HA 0.381 4.902 4.340 0.303 0.000 0.270 365 L C -1.160 175.719 176.870 0.014 0.000 0.972 365 L CA -0.112 54.732 54.840 0.007 0.000 0.831 365 L CB 2.208 44.271 42.059 0.006 0.000 1.273 365 L HN 0.376 nan 8.230 nan 0.000 0.405 366 T N 4.650 119.208 114.554 0.008 0.000 2.762 366 T HA 0.481 5.013 4.350 0.303 0.000 0.303 366 T C -0.223 174.479 174.700 0.004 0.000 0.977 366 T CA -0.278 61.828 62.100 0.010 0.000 0.961 366 T CB 0.718 69.583 68.868 -0.005 0.000 0.944 366 T HN 0.376 nan 8.240 nan 0.000 0.481 367 V N 5.318 125.260 119.914 0.047 0.000 2.498 367 V HA 0.429 4.731 4.120 0.303 0.000 0.279 367 V C 0.297 176.361 176.094 -0.051 0.000 1.048 367 V CA -0.405 61.931 62.300 0.061 0.000 0.967 367 V CB 0.883 32.828 31.823 0.203 0.000 0.988 367 V HN 0.742 nan 8.190 nan 0.000 0.473 368 K N 2.577 122.770 120.400 -0.344 0.000 2.482 368 K HA 0.874 5.376 4.320 0.303 0.000 0.257 368 K C -0.044 175.820 176.600 -1.226 0.000 0.969 368 K CA -0.626 55.203 56.287 -0.763 0.000 0.842 368 K CB 2.737 34.982 32.500 -0.425 0.000 1.359 368 K HN 0.887 nan 8.250 nan 0.000 0.441 369 G N 0.380 108.096 108.800 -1.807 0.000 2.494 369 G HA2 0.407 4.549 3.960 0.303 0.000 0.308 369 G HA3 0.407 4.549 3.960 0.303 0.000 0.308 369 G C -2.191 172.076 174.900 -1.055 0.000 1.263 369 G CA -0.660 43.653 45.100 -1.312 0.000 0.840 369 G HN 0.536 nan 8.290 nan 0.000 0.479 370 Y N -1.417 118.640 120.300 -0.406 0.000 2.570 370 Y HA 0.918 5.650 4.550 0.303 0.000 0.345 370 Y C -0.129 175.970 175.900 0.332 0.000 1.014 370 Y CA -1.494 56.492 58.100 -0.190 0.000 1.063 370 Y CB 1.726 39.962 38.460 -0.374 0.000 1.272 370 Y HN 1.285 nan 8.280 nan 0.000 0.477 371 A N 1.481 124.668 122.820 0.613 0.000 2.587 371 A HA 0.795 5.297 4.320 0.303 0.000 0.293 371 A C -2.203 175.774 177.584 0.656 0.000 1.087 371 A CA -0.588 51.782 52.037 0.556 0.000 0.692 371 A CB 1.383 20.596 19.000 0.355 0.000 1.291 371 A HN 1.111 nan 8.150 nan 0.000 0.407 372 W N 0.213 121.703 121.300 0.316 0.000 3.057 372 W HA 0.593 5.436 4.660 0.305 0.000 0.328 372 W C -1.115 175.507 176.519 0.172 0.000 1.232 372 W CA 0.368 57.870 57.345 0.262 0.000 1.187 372 W CB 1.206 30.846 29.460 0.301 0.000 1.417 372 W HN 1.201 nan 8.180 nan 0.000 0.569 373 S N 1.427 116.690 115.700 -0.729 0.000 2.556 373 S HA 0.741 5.393 4.470 0.303 0.000 0.271 373 S C -0.249 173.473 174.600 -1.464 0.000 1.135 373 S CA -0.034 57.700 58.200 -0.777 0.000 0.858 373 S CB 0.981 63.968 63.200 -0.354 0.000 1.114 373 S HN 1.100 nan 8.310 nan 0.000 0.468 374 G N 0.492 108.742 108.800 -0.917 0.000 2.588 374 G HA2 0.478 4.620 3.960 0.303 0.000 0.278 374 G HA3 0.478 4.620 3.960 0.303 0.000 0.278 374 G C 1.067 175.809 174.900 -0.263 0.000 1.307 374 G CA 0.087 44.816 45.100 -0.617 0.000 1.016 374 G HN 1.943 nan 8.290 nan 0.000 0.503 375 G N -2.073 106.727 108.800 0.001 0.000 2.168 375 G HA2 0.194 4.335 3.960 0.303 0.000 0.257 375 G HA3 0.194 4.335 3.960 0.303 0.000 0.257 375 G C 1.468 176.425 174.900 0.095 0.000 0.997 375 G CA 1.188 46.351 45.100 0.105 0.000 0.708 375 G HN 2.560 nan 8.290 nan 0.000 0.520 376 G N -1.544 107.278 108.800 0.037 0.000 2.143 376 G HA2 -0.275 3.867 3.960 0.303 0.000 0.249 376 G HA3 -0.275 3.867 3.960 0.303 0.000 0.249 376 G C 0.321 175.012 174.900 -0.348 0.000 0.981 376 G CA 0.832 45.680 45.100 -0.420 0.000 0.665 376 G HN 1.031 nan 8.290 nan 0.000 0.528 377 R N 1.283 121.626 120.500 -0.262 0.000 2.216 377 R HA 0.415 4.937 4.340 0.303 0.000 0.332 377 R C 0.915 177.073 176.300 -0.238 0.000 1.056 377 R CA -0.093 55.869 56.100 -0.230 0.000 0.901 377 R CB 0.560 30.743 30.300 -0.195 0.000 1.039 377 R HN 0.760 nan 8.270 nan 0.000 0.456 378 E N 1.544 121.629 120.200 -0.192 0.000 2.392 378 E HA 0.125 4.657 4.350 0.303 0.000 0.259 378 E C -0.639 175.883 176.600 -0.129 0.000 1.108 378 E CA -0.723 55.594 56.400 -0.138 0.000 0.916 378 E CB 0.790 30.426 29.700 -0.107 0.000 0.989 378 E HN 0.098 nan 8.360 nan 0.000 0.432 379 V N 3.101 122.976 119.914 -0.064 0.000 2.432 379 V HA 0.009 4.311 4.120 0.303 0.000 0.271 379 V C 1.044 177.091 176.094 -0.078 0.000 1.046 379 V CA -0.052 62.216 62.300 -0.054 0.000 0.945 379 V CB 0.956 32.803 31.823 0.039 0.000 0.992 379 V HN 0.741 nan 8.190 nan 0.000 0.471 380 V N 2.648 122.477 119.914 -0.142 0.000 3.471 380 V HA 0.439 4.741 4.120 0.303 0.000 0.258 380 V C 0.711 176.732 176.094 -0.122 0.000 1.192 380 V CA 0.433 62.642 62.300 -0.152 0.000 1.116 380 V CB -0.176 31.494 31.823 -0.256 0.000 0.792 380 V HN 0.785 nan 8.190 nan 0.000 0.459 381 R N -0.573 119.849 120.500 -0.130 0.000 2.604 381 R HA 0.639 5.161 4.340 0.303 0.000 0.261 381 R C -2.361 173.831 176.300 -0.180 0.000 1.080 381 R CA -0.436 55.584 56.100 -0.132 0.000 0.917 381 R CB 2.647 32.873 30.300 -0.124 0.000 1.252 381 R HN 0.077 nan 8.270 nan 0.000 0.456 382 V N 3.666 123.440 119.914 -0.232 0.000 2.407 382 V HA 0.307 4.609 4.120 0.303 0.000 0.291 382 V C -0.863 174.997 176.094 -0.391 0.000 1.018 382 V CA -0.864 61.202 62.300 -0.389 0.000 0.842 382 V CB 1.673 33.093 31.823 -0.670 0.000 0.996 382 V HN 0.680 nan 8.190 nan 0.000 0.426 383 D N 3.606 123.779 120.400 -0.379 0.000 2.264 383 D HA 0.511 5.333 4.640 0.303 0.000 0.250 383 D C -0.391 175.830 176.300 -0.132 0.000 1.113 383 D CA 0.035 53.875 54.000 -0.267 0.000 0.871 383 D CB 2.326 42.827 40.800 -0.499 0.000 1.167 383 D HN 0.262 nan 8.370 nan 0.000 0.447 384 V N 1.378 121.306 119.914 0.024 0.000 2.588 384 V HA 0.426 4.728 4.120 0.303 0.000 0.304 384 V C 0.059 176.164 176.094 0.018 0.000 1.042 384 V CA -0.679 61.618 62.300 -0.004 0.000 0.877 384 V CB 1.981 33.720 31.823 -0.141 0.000 0.996 384 V HN 0.491 nan 8.190 nan 0.000 0.425 385 S N 3.531 119.110 115.700 -0.202 0.000 2.532 385 S HA 0.704 5.356 4.470 0.303 0.000 0.301 385 S C 0.219 174.655 174.600 -0.273 0.000 1.083 385 S CA -0.646 57.266 58.200 -0.479 0.000 1.025 385 S CB 1.451 63.963 63.200 -1.146 0.000 1.056 385 S HN 0.633 nan 8.310 nan 0.000 0.494 386 L N 2.334 123.421 121.223 -0.228 0.000 2.766 386 L HA 0.349 4.871 4.340 0.303 0.000 0.242 386 L C -0.017 176.766 176.870 -0.145 0.000 1.136 386 L CA 0.017 54.773 54.840 -0.141 0.000 0.933 386 L CB 0.061 42.066 42.059 -0.090 0.000 1.241 386 L HN 0.654 nan 8.230 nan 0.000 0.522 387 D N -0.906 119.368 120.400 -0.210 0.000 2.804 387 D HA 0.227 5.049 4.640 0.303 0.000 0.308 387 D C 1.069 177.258 176.300 -0.185 0.000 1.371 387 D CA -0.119 53.779 54.000 -0.169 0.000 0.823 387 D CB 0.415 41.122 40.800 -0.154 0.000 1.126 387 D HN 0.090 nan 8.370 nan 0.000 0.467 388 G N -0.233 108.454 108.800 -0.187 0.000 2.160 388 G HA2 -0.007 4.135 3.960 0.303 0.000 0.251 388 G HA3 -0.007 4.135 3.960 0.303 0.000 0.251 388 G C 1.135 175.948 174.900 -0.146 0.000 1.008 388 G CA 0.328 45.356 45.100 -0.120 0.000 0.724 388 G HN 1.503 nan 8.290 nan 0.000 0.514 389 G N -1.554 106.972 108.800 -0.457 0.000 2.141 389 G HA2 -0.262 3.879 3.960 0.303 0.000 0.231 389 G HA3 -0.262 3.879 3.960 0.303 0.000 0.231 389 G C 1.109 175.749 174.900 -0.433 0.000 0.984 389 G CA 1.139 45.845 45.100 -0.657 0.000 0.660 389 G HN 0.884 nan 8.290 nan 0.000 0.525 390 R N 0.071 120.348 120.500 -0.370 0.000 2.066 390 R HA 0.151 4.672 4.340 0.303 0.000 0.224 390 R C 1.469 177.613 176.300 -0.260 0.000 1.122 390 R CA 1.635 57.623 56.100 -0.185 0.000 0.974 390 R CB -0.152 30.076 30.300 -0.119 0.000 0.871 390 R HN 0.642 nan 8.270 nan 0.000 0.435 391 T N -2.271 112.012 114.554 -0.452 0.000 2.924 391 T HA 0.521 5.053 4.350 0.303 0.000 0.291 391 T C -1.130 173.190 174.700 -0.634 0.000 1.045 391 T CA -0.892 60.999 62.100 -0.348 0.000 1.015 391 T CB 1.749 70.527 68.868 -0.150 0.000 1.103 391 T HN 0.151 nan 8.240 nan 0.000 0.496 392 W N 0.179 121.424 121.300 -0.090 0.000 2.950 392 W HA 0.727 5.569 4.660 0.302 0.000 0.340 392 W C -0.279 176.180 176.519 -0.100 0.000 1.139 392 W CA -0.921 56.350 57.345 -0.122 0.000 1.188 392 W CB 2.092 31.458 29.460 -0.157 0.000 1.426 392 W HN 0.621 nan 8.180 nan 0.000 0.531 393 K N 0.740 121.223 120.400 0.139 0.000 2.435 393 K HA 0.656 5.158 4.320 0.303 0.000 0.251 393 K C -1.381 175.230 176.600 0.018 0.000 0.954 393 K CA -1.139 55.180 56.287 0.052 0.000 0.820 393 K CB 2.681 35.191 32.500 0.016 0.000 1.292 393 K HN 0.161 nan 8.250 nan 0.000 0.436 394 V N 2.363 122.271 119.914 -0.010 0.000 2.406 394 V HA 0.285 4.587 4.120 0.303 0.000 0.272 394 V C 0.221 176.289 176.094 -0.043 0.000 1.043 394 V CA -0.576 61.695 62.300 -0.049 0.000 0.915 394 V CB 0.901 32.700 31.823 -0.040 0.000 0.988 394 V HN 0.906 nan 8.190 nan 0.000 0.466 395 A N 5.705 128.471 122.820 -0.089 0.000 2.366 395 A HA 0.506 5.008 4.320 0.303 0.000 0.249 395 A C 0.465 178.071 177.584 0.035 0.000 1.084 395 A CA -0.385 51.645 52.037 -0.012 0.000 0.794 395 A CB 0.243 19.201 19.000 -0.070 0.000 1.034 395 A HN 0.844 nan 8.150 nan 0.000 0.491 396 R N 1.173 121.733 120.500 0.100 0.000 2.298 396 R HA 0.422 4.944 4.340 0.303 0.000 0.310 396 R C -1.170 175.205 176.300 0.125 0.000 1.068 396 R CA -0.243 55.908 56.100 0.084 0.000 0.957 396 R CB 0.086 30.428 30.300 0.070 0.000 1.003 396 R HN 0.670 nan 8.270 nan 0.000 0.454 397 L N 5.944 127.218 121.223 0.085 0.000 2.265 397 L HA 0.326 4.848 4.340 0.303 0.000 0.288 397 L C 0.014 176.922 176.870 0.063 0.000 1.058 397 L CA -0.589 54.312 54.840 0.102 0.000 0.809 397 L CB 1.363 43.464 42.059 0.069 0.000 1.179 397 L HN 0.495 nan 8.230 nan 0.000 0.429 398 M N 2.498 122.135 119.600 0.062 0.000 2.409 398 M HA 0.705 5.367 4.480 0.303 0.000 0.329 398 M C 0.504 176.792 176.300 -0.020 0.000 1.180 398 M CA -0.379 54.926 55.300 0.009 0.000 1.053 398 M CB 1.287 33.884 32.600 -0.004 0.000 1.586 398 M HN 0.737 nan 8.290 nan 0.000 0.461 399 G N 1.969 110.714 108.800 -0.093 0.000 2.515 399 G HA2 -0.026 4.116 3.960 0.303 0.000 0.686 399 G HA3 -0.026 4.116 3.960 0.303 0.000 0.686 399 G C -1.758 173.062 174.900 -0.133 0.000 1.274 399 G CA -1.050 43.932 45.100 -0.197 0.000 0.874 399 G HN 0.586 nan 8.290 nan 0.000 0.631 400 D N 0.821 121.118 120.400 -0.171 0.000 2.210 400 D HA 0.467 5.289 4.640 0.303 0.000 0.249 400 D C 0.944 177.217 176.300 -0.046 0.000 1.062 400 D CA -0.200 53.744 54.000 -0.092 0.000 0.891 400 D CB 1.411 42.156 40.800 -0.092 0.000 1.186 400 D HN 0.774 nan 8.370 nan 0.000 0.432 401 K N -0.123 120.259 120.400 -0.030 0.000 2.355 401 K HA 0.523 5.025 4.320 0.303 0.000 0.270 401 K C -0.440 176.149 176.600 -0.018 0.000 1.003 401 K CA -0.595 55.679 56.287 -0.022 0.000 0.957 401 K CB 0.773 33.256 32.500 -0.027 0.000 0.939 401 K HN 0.292 nan 8.250 nan 0.000 0.482 402 A N 3.050 125.854 122.820 -0.026 0.000 2.299 402 A HA 0.588 5.090 4.320 0.303 0.000 0.332 402 A C -2.309 175.235 177.584 -0.066 0.000 1.131 402 A CA -1.836 50.178 52.037 -0.038 0.000 0.844 402 A CB 0.164 19.127 19.000 -0.062 0.000 1.251 402 A HN 0.771 nan 8.150 nan 0.000 0.486 403 P HA 0.271 nan 4.420 nan 0.000 0.271 403 P C -2.681 174.549 177.300 -0.117 0.000 1.244 403 P CA -1.072 61.987 63.100 -0.069 0.000 0.793 403 P CB -0.603 31.072 31.700 -0.041 0.000 0.984 404 P HA 0.061 nan 4.420 nan 0.000 0.271 404 P C 0.809 178.019 177.300 -0.150 0.000 1.220 404 P CA 0.667 63.700 63.100 -0.113 0.000 0.768 404 P CB 0.197 31.854 31.700 -0.072 0.000 0.848 405 G N 3.743 112.423 108.800 -0.199 0.000 2.189 405 G HA2 -0.311 3.831 3.960 0.303 0.000 0.267 405 G HA3 -0.311 3.831 3.960 0.303 0.000 0.267 405 G C 0.660 175.266 174.900 -0.490 0.000 0.975 405 G CA -0.044 44.909 45.100 -0.246 0.000 0.644 405 G HN 0.611 nan 8.290 nan 0.000 0.537 406 R N -0.052 120.099 120.500 -0.580 0.000 2.700 406 R HA 0.530 5.052 4.340 0.303 0.000 0.377 406 R C 0.913 176.550 176.300 -1.106 0.000 1.130 406 R CA 0.352 55.813 56.100 -1.066 0.000 1.055 406 R CB 0.821 30.846 30.300 -0.457 0.000 1.387 406 R HN 0.431 nan 8.270 nan 0.000 0.580 407 A N 0.515 122.870 122.820 -0.774 0.000 3.056 407 A HA 0.096 4.598 4.320 0.303 0.000 0.274 407 A C 0.179 177.676 177.584 -0.145 0.000 1.661 407 A CA -0.620 51.206 52.037 -0.352 0.000 1.363 407 A CB -0.663 18.214 19.000 -0.205 0.000 1.139 407 A HN 0.617 nan 8.150 nan 0.000 0.598 408 W N 1.618 123.018 121.300 0.167 0.000 2.770 408 W HA 0.324 5.166 4.660 0.305 0.000 0.256 408 W C 1.113 177.875 176.519 0.405 0.000 1.291 408 W CA 0.267 57.766 57.345 0.256 0.000 1.396 408 W CB 0.295 29.865 29.460 0.185 0.000 1.114 408 W HN 0.620 nan 8.180 nan 0.000 0.637 409 A N 0.776 123.914 122.820 0.531 0.000 2.325 409 A HA 0.532 5.034 4.320 0.303 0.000 0.333 409 A C -0.537 177.449 177.584 0.669 0.000 1.155 409 A CA -0.887 51.416 52.037 0.442 0.000 0.814 409 A CB 0.180 19.440 19.000 0.434 0.000 1.206 409 A HN 0.199 nan 8.150 nan 0.000 0.482 410 W N 0.912 122.449 121.300 0.396 0.000 2.089 410 W HA 0.521 5.363 4.660 0.304 0.000 0.355 410 W C -0.008 176.766 176.519 0.426 0.000 1.305 410 W CA -1.162 56.443 57.345 0.435 0.000 1.281 410 W CB -0.444 29.121 29.460 0.175 0.000 1.183 410 W HN 0.897 nan 8.180 nan 0.000 0.604 411 A N 3.264 126.426 122.820 0.569 0.000 2.258 411 A HA 0.636 5.138 4.320 0.303 0.000 0.316 411 A C -0.727 176.966 177.584 0.181 0.000 1.279 411 A CA -0.895 51.353 52.037 0.351 0.000 0.876 411 A CB 0.019 19.194 19.000 0.291 0.000 1.170 411 A HN 0.682 nan 8.150 nan 0.000 0.520 412 L N 4.044 125.285 121.223 0.031 0.000 2.326 412 L HA 0.504 5.025 4.340 0.303 0.000 0.278 412 L C -0.045 176.833 176.870 0.013 0.000 1.092 412 L CA -0.447 54.298 54.840 -0.157 0.000 0.810 412 L CB 0.732 42.649 42.059 -0.237 0.000 1.153 412 L HN 0.867 nan 8.230 nan 0.000 0.439 413 W N 3.299 124.560 121.300 -0.064 0.000 2.962 413 W HA 0.727 5.568 4.660 0.302 0.000 0.341 413 W C -1.142 175.352 176.519 -0.041 0.000 1.155 413 W CA -0.827 56.494 57.345 -0.039 0.000 1.165 413 W CB 1.536 30.980 29.460 -0.027 0.000 1.435 413 W HN 0.650 nan 8.180 nan 0.000 0.546 414 E N 1.261 121.664 120.200 0.339 0.000 2.413 414 E HA 0.717 5.249 4.350 0.303 0.000 0.277 414 E C -2.434 174.346 176.600 0.300 0.000 0.958 414 E CA -1.125 55.414 56.400 0.232 0.000 0.779 414 E CB 2.803 32.520 29.700 0.028 0.000 1.278 414 E HN 0.362 nan 8.360 nan 0.000 0.456 415 L N 1.165 122.538 121.223 0.251 0.000 2.482 415 L HA 0.423 4.945 4.340 0.303 0.000 0.269 415 L C -1.463 175.469 176.870 0.103 0.000 0.967 415 L CA 0.088 55.031 54.840 0.172 0.000 0.851 415 L CB 2.318 44.490 42.059 0.187 0.000 1.242 415 L HN 0.726 nan 8.230 nan 0.000 0.404 416 T N 4.125 118.717 114.554 0.063 0.000 2.767 416 T HA 0.673 5.205 4.350 0.303 0.000 0.288 416 T C -0.861 173.857 174.700 0.030 0.000 0.963 416 T CA -0.276 61.847 62.100 0.038 0.000 1.019 416 T CB 1.422 70.305 68.868 0.025 0.000 0.923 416 T HN 0.419 nan 8.240 nan 0.000 0.468 417 V N 5.865 125.793 119.914 0.023 0.000 2.925 417 V HA 0.636 4.938 4.120 0.303 0.000 0.311 417 V C -2.515 173.583 176.094 0.006 0.000 1.104 417 V CA -2.586 59.722 62.300 0.014 0.000 0.954 417 V CB 2.798 34.630 31.823 0.015 0.000 1.022 417 V HN 0.639 nan 8.190 nan 0.000 0.427 418 P HA 0.359 nan 4.420 nan 0.000 0.285 418 P C -1.074 176.223 177.300 -0.005 0.000 1.259 418 P CA -0.039 63.061 63.100 -0.001 0.000 0.794 418 P CB 1.414 33.112 31.700 -0.002 0.000 0.940 419 V N -0.253 119.658 119.914 -0.005 0.000 2.604 419 V HA 0.544 4.846 4.120 0.303 0.000 0.305 419 V C -0.205 175.884 176.094 -0.007 0.000 1.043 419 V CA -1.014 61.281 62.300 -0.007 0.000 0.888 419 V CB 2.024 33.843 31.823 -0.006 0.000 0.995 419 V HN 0.489 nan 8.190 nan 0.000 0.429 420 E N 2.808 123.002 120.200 -0.009 0.000 2.156 420 E HA 0.651 5.183 4.350 0.303 0.000 0.279 420 E C 0.363 176.958 176.600 -0.008 0.000 0.965 420 E CA -0.634 55.761 56.400 -0.009 0.000 0.789 420 E CB 1.697 31.391 29.700 -0.010 0.000 1.098 420 E HN 1.199 nan 8.360 nan 0.000 0.397 421 A N 2.841 125.657 122.820 -0.006 0.000 2.587 421 A HA 0.289 4.791 4.320 0.303 0.000 0.233 421 A C 1.252 178.833 177.584 -0.006 0.000 1.049 421 A CA 1.004 53.038 52.037 -0.005 0.000 0.754 421 A CB -0.372 18.625 19.000 -0.004 0.000 0.977 421 A HN 1.054 nan 8.150 nan 0.000 0.509 422 G N 1.157 109.954 108.800 -0.006 0.000 2.184 422 G HA2 -0.179 3.963 3.960 0.303 0.000 0.264 422 G HA3 -0.179 3.963 3.960 0.303 0.000 0.264 422 G C 0.553 175.448 174.900 -0.008 0.000 0.975 422 G CA 1.351 46.447 45.100 -0.006 0.000 0.642 422 G HN 2.260 nan 8.290 nan 0.000 0.536 423 T N -1.310 113.238 114.554 -0.010 0.000 2.928 423 T HA 0.670 5.202 4.350 0.303 0.000 0.284 423 T C -0.332 174.359 174.700 -0.014 0.000 1.008 423 T CA -0.629 61.463 62.100 -0.013 0.000 1.057 423 T CB 2.430 71.288 68.868 -0.016 0.000 1.018 423 T HN 0.160 nan 8.240 nan 0.000 0.493 424 E N 1.854 122.044 120.200 -0.017 0.000 2.175 424 E HA 0.475 5.007 4.350 0.303 0.000 0.278 424 E C -0.633 175.951 176.600 -0.026 0.000 0.969 424 E CA -0.546 55.843 56.400 -0.018 0.000 0.796 424 E CB 1.983 31.673 29.700 -0.017 0.000 1.104 424 E HN 0.592 nan 8.360 nan 0.000 0.395 425 L N 1.522 122.729 121.223 -0.027 0.000 2.365 425 L HA 0.419 4.941 4.340 0.303 0.000 0.273 425 L C 0.041 176.888 176.870 -0.039 0.000 1.000 425 L CA -0.666 54.152 54.840 -0.037 0.000 0.819 425 L CB 2.043 44.083 42.059 -0.031 0.000 1.284 425 L HN 0.455 nan 8.230 nan 0.000 0.418 426 E N 3.692 123.859 120.200 -0.055 0.000 2.207 426 E HA 0.414 4.946 4.350 0.303 0.000 0.250 426 E C -1.180 175.375 176.600 -0.076 0.000 0.890 426 E CA -0.518 55.849 56.400 -0.055 0.000 0.749 426 E CB 1.172 30.844 29.700 -0.047 0.000 1.193 426 E HN 0.505 nan 8.360 nan 0.000 0.423 427 I N 4.733 125.266 120.570 -0.061 0.000 2.352 427 I HA 0.221 4.573 4.170 0.303 0.000 0.290 427 I C -0.511 175.577 176.117 -0.048 0.000 1.036 427 I CA -0.609 60.660 61.300 -0.053 0.000 1.336 427 I CB 1.147 39.141 38.000 -0.011 0.000 1.407 427 I HN 0.249 nan 8.210 nan 0.000 0.497 428 V N 5.853 125.735 119.914 -0.055 0.000 2.735 428 V HA 0.472 4.774 4.120 0.303 0.000 0.310 428 V C -0.214 175.913 176.094 0.056 0.000 1.061 428 V CA -0.684 61.627 62.300 0.018 0.000 0.913 428 V CB 1.899 33.721 31.823 -0.001 0.000 1.005 428 V HN 0.967 nan 8.190 nan 0.000 0.428 429 C N 3.158 122.520 119.300 0.104 0.000 2.634 429 C HA 1.018 5.660 4.460 0.303 0.000 0.313 429 C C -0.780 174.161 174.990 -0.081 0.000 1.198 429 C CA -0.957 58.046 59.018 -0.024 0.000 1.605 429 C CB 1.313 29.008 27.740 -0.075 0.000 2.196 429 C HN 1.092 nan 8.230 nan 0.000 0.486 430 K N 1.948 122.184 120.400 -0.274 0.000 2.543 430 K HA 0.794 5.296 4.320 0.303 0.000 0.255 430 K C -1.193 175.230 176.600 -0.295 0.000 0.934 430 K CA -0.318 55.789 56.287 -0.301 0.000 0.810 430 K CB 1.794 33.889 32.500 -0.675 0.000 1.315 430 K HN 1.222 nan 8.250 nan 0.000 0.433 431 A N 2.166 124.894 122.820 -0.154 0.000 2.337 431 A HA 0.747 5.249 4.320 0.303 0.000 0.331 431 A C -0.943 176.579 177.584 -0.102 0.000 1.137 431 A CA -0.828 51.130 52.037 -0.133 0.000 0.807 431 A CB 1.629 20.605 19.000 -0.040 0.000 1.250 431 A HN 0.426 nan 8.150 nan 0.000 0.468 432 V N 2.574 122.414 119.914 -0.124 0.000 2.588 432 V HA 0.430 4.732 4.120 0.303 0.000 0.304 432 V C -0.664 175.330 176.094 -0.167 0.000 1.042 432 V CA -0.661 61.564 62.300 -0.124 0.000 0.877 432 V CB 1.616 33.361 31.823 -0.130 0.000 0.996 432 V HN 1.106 nan 8.190 nan 0.000 0.425 433 D N 2.668 122.964 120.400 -0.173 0.000 2.549 433 D HA 0.265 5.087 4.640 0.303 0.000 0.270 433 D C 1.335 177.449 176.300 -0.310 0.000 1.181 433 D CA 0.059 53.937 54.000 -0.204 0.000 1.070 433 D CB 1.107 41.811 40.800 -0.160 0.000 1.154 433 D HN 0.408 nan 8.370 nan 0.000 0.602 434 S N -0.885 114.661 115.700 -0.257 0.000 2.419 434 S HA -0.169 4.483 4.470 0.303 0.000 0.233 434 S C 1.537 176.011 174.600 -0.210 0.000 1.016 434 S CA 1.007 59.046 58.200 -0.267 0.000 0.974 434 S CB -0.959 62.133 63.200 -0.180 0.000 0.786 434 S HN 0.562 nan 8.310 nan 0.000 0.492 435 S N -0.528 115.096 115.700 -0.126 0.000 2.710 435 S HA 0.227 4.879 4.470 0.303 0.000 0.224 435 S C 0.038 174.696 174.600 0.097 0.000 0.948 435 S CA -0.583 57.614 58.200 -0.005 0.000 0.949 435 S CB -1.133 62.062 63.200 -0.007 0.000 0.778 435 S HN 0.458 nan 8.310 nan 0.000 0.498 436 Y N 0.844 121.116 120.300 -0.046 0.000 3.825 436 Y HA -0.233 4.499 4.550 0.303 0.000 0.221 436 Y C 0.390 176.267 175.900 -0.039 0.000 1.195 436 Y CA 0.178 58.250 58.100 -0.046 0.000 1.699 436 Y CB -2.634 35.799 38.460 -0.044 0.000 1.531 436 Y HN 0.433 nan 8.280 nan 0.000 0.640 437 N N 0.448 119.170 118.700 0.036 0.000 2.503 437 N HA 0.545 5.467 4.740 0.303 0.000 0.267 437 N C 0.129 175.650 175.510 0.018 0.000 1.214 437 N CA 0.558 53.624 53.050 0.026 0.000 0.959 437 N CB 1.594 40.081 38.487 0.001 0.000 1.142 437 N HN 0.169 nan 8.380 nan 0.000 0.455 438 V N -1.069 118.868 119.914 0.038 0.000 3.130 438 V HA 0.482 4.784 4.120 0.303 0.000 0.310 438 V C -0.475 175.675 176.094 0.093 0.000 1.158 438 V CA -1.072 61.257 62.300 0.049 0.000 1.029 438 V CB 1.892 33.745 31.823 0.050 0.000 1.057 438 V HN 0.477 nan 8.190 nan 0.000 0.436 439 Q N 2.458 122.351 119.800 0.155 0.000 2.259 439 Q HA 0.489 5.011 4.340 0.303 0.000 0.249 439 Q C -2.455 173.714 176.000 0.282 0.000 0.914 439 Q CA -1.704 54.240 55.803 0.235 0.000 0.904 439 Q CB 1.582 30.524 28.738 0.339 0.000 1.213 439 Q HN 0.675 nan 8.270 nan 0.000 0.428 440 P HA 0.048 nan 4.420 nan 0.000 0.274 440 P C -0.619 176.375 177.300 -0.511 0.000 1.237 440 P CA -0.188 62.867 63.100 -0.075 0.000 0.793 440 P CB 0.889 32.551 31.700 -0.063 0.000 0.977 441 D N -0.304 119.648 120.400 -0.746 0.000 2.097 441 D HA -0.083 4.739 4.640 0.303 0.000 0.195 441 D C 0.940 176.716 176.300 -0.875 0.000 0.989 441 D CA 1.654 54.760 54.000 -1.491 0.000 0.827 441 D CB -0.235 40.047 40.800 -0.863 0.000 0.966 441 D HN 0.497 nan 8.370 nan 0.000 0.456 442 S N -1.383 114.064 115.700 -0.422 0.000 2.634 442 S HA 0.484 5.136 4.470 0.303 0.000 0.296 442 S C 0.724 175.270 174.600 -0.089 0.000 1.104 442 S CA -0.904 57.171 58.200 -0.209 0.000 0.920 442 S CB 2.141 65.256 63.200 -0.142 0.000 1.111 442 S HN -0.130 nan 8.310 nan 0.000 0.493 443 V N 1.265 121.172 119.914 -0.012 0.000 2.446 443 V HA 0.060 4.362 4.120 0.303 0.000 0.244 443 V C 2.945 179.110 176.094 0.120 0.000 1.039 443 V CA 1.821 64.162 62.300 0.068 0.000 1.045 443 V CB -1.456 30.434 31.823 0.112 0.000 0.681 443 V HN 1.024 nan 8.190 nan 0.000 0.459 444 A N 1.041 123.912 122.820 0.086 0.000 1.917 444 A HA -0.168 4.334 4.320 0.303 0.000 0.219 444 A C 0.511 178.163 177.584 0.112 0.000 1.182 444 A CA 2.355 54.446 52.037 0.090 0.000 0.633 444 A CB -1.954 17.050 19.000 0.007 0.000 0.819 444 A HN 0.569 nan 8.150 nan 0.000 0.448 445 P HA -0.041 nan 4.420 nan 0.000 0.223 445 P C 1.106 178.456 177.300 0.083 0.000 1.151 445 P CA 0.954 64.089 63.100 0.057 0.000 0.787 445 P CB -0.150 31.559 31.700 0.015 0.000 0.788 446 I N -7.195 113.432 120.570 0.096 0.000 3.928 446 I HA 0.321 4.673 4.170 0.303 0.000 0.335 446 I C 0.416 176.607 176.117 0.124 0.000 1.325 446 I CA -0.807 60.544 61.300 0.085 0.000 1.107 446 I CB -0.475 37.556 38.000 0.051 0.000 1.014 446 I HN -0.222 nan 8.210 nan 0.000 0.400 447 W N 4.674 125.981 121.300 0.012 0.000 2.193 447 W HA 0.206 5.051 4.660 0.308 0.000 0.338 447 W C 0.047 176.578 176.519 0.019 0.000 1.310 447 W CA 0.486 57.843 57.345 0.021 0.000 1.243 447 W CB 0.425 29.893 29.460 0.014 0.000 1.165 447 W HN 0.457 nan 8.180 nan 0.000 0.566 448 N N 4.011 122.235 118.700 -0.794 0.000 2.416 448 N HA 0.268 5.190 4.740 0.303 0.000 0.276 448 N C 0.475 175.130 175.510 -1.425 0.000 1.261 448 N CA -0.723 51.868 53.050 -0.764 0.000 0.790 448 N CB 1.173 39.495 38.487 -0.274 0.000 1.554 448 N HN 0.521 nan 8.380 nan 0.000 0.481 449 L N -2.451 118.171 121.223 -1.002 0.000 2.265 449 L HA 0.130 4.652 4.340 0.303 0.000 0.215 449 L C 1.105 177.744 176.870 -0.384 0.000 1.117 449 L CA 0.981 55.336 54.840 -0.809 0.000 0.782 449 L CB -0.195 41.316 42.059 -0.913 0.000 0.914 449 L HN 0.500 nan 8.230 nan 0.000 0.441 450 R N 0.955 121.298 120.500 -0.262 0.000 2.334 450 R HA 0.186 4.708 4.340 0.303 0.000 0.216 450 R C 1.170 177.460 176.300 -0.017 0.000 0.905 450 R CA 0.652 56.757 56.100 0.010 0.000 1.064 450 R CB 0.231 30.602 30.300 0.119 0.000 1.046 450 R HN 0.628 nan 8.270 nan 0.000 0.508 451 G N 1.828 110.512 108.800 -0.194 0.000 2.225 451 G HA2 -0.282 3.860 3.960 0.303 0.000 0.267 451 G HA3 -0.282 3.860 3.960 0.303 0.000 0.267 451 G C 0.405 175.309 174.900 0.007 0.000 1.024 451 G CA 0.702 45.733 45.100 -0.116 0.000 0.784 451 G HN 0.272 nan 8.290 nan 0.000 0.507 452 V N -2.981 116.939 119.914 0.010 0.000 3.134 452 V HA 0.790 5.091 4.120 0.303 0.000 0.313 452 V C 1.605 177.725 176.094 0.042 0.000 1.069 452 V CA -0.511 61.837 62.300 0.081 0.000 1.048 452 V CB 1.424 33.334 31.823 0.145 0.000 1.119 452 V HN 1.087 nan 8.190 nan 0.000 0.461 453 L N 0.074 121.338 121.223 0.070 0.000 3.677 453 L HA -0.146 4.376 4.340 0.303 0.000 0.464 453 L C 0.587 177.491 176.870 0.056 0.000 1.278 453 L CA 0.976 55.853 54.840 0.062 0.000 0.806 453 L CB -1.511 40.572 42.059 0.040 0.000 1.610 453 L HN 0.965 nan 8.230 nan 0.000 0.867 454 S N 0.125 115.866 115.700 0.068 0.000 2.473 454 S HA 0.472 5.124 4.470 0.303 0.000 0.312 454 S C 1.016 175.675 174.600 0.099 0.000 1.087 454 S CA 0.179 58.425 58.200 0.078 0.000 1.077 454 S CB 0.311 63.561 63.200 0.084 0.000 1.065 454 S HN 0.464 nan 8.310 nan 0.000 0.510 455 T N 1.298 115.914 114.554 0.103 0.000 3.170 455 T HA 0.532 5.064 4.350 0.303 0.000 0.288 455 T C 0.559 175.345 174.700 0.143 0.000 0.992 455 T CA 0.026 62.205 62.100 0.132 0.000 0.909 455 T CB 0.192 69.140 68.868 0.134 0.000 1.133 455 T HN 0.582 nan 8.240 nan 0.000 0.530 456 A N 1.334 124.217 122.820 0.105 0.000 2.429 456 A HA 0.477 4.979 4.320 0.303 0.000 0.242 456 A C 0.313 178.018 177.584 0.202 0.000 1.088 456 A CA -0.615 51.452 52.037 0.050 0.000 0.784 456 A CB -0.115 18.872 19.000 -0.023 0.000 1.038 456 A HN 0.531 nan 8.150 nan 0.000 0.501 457 W N 0.690 122.067 121.300 0.128 0.000 2.257 457 W HA 0.115 4.957 4.660 0.303 0.000 0.337 457 W C 0.863 177.501 176.519 0.198 0.000 1.321 457 W CA 0.061 57.501 57.345 0.158 0.000 1.267 457 W CB -0.673 28.895 29.460 0.180 0.000 1.187 457 W HN 0.693 nan 8.180 nan 0.000 0.565 458 H N 3.645 122.904 119.070 0.314 0.000 2.610 458 H HA 0.351 5.090 4.556 0.305 0.000 0.336 458 H C -0.336 175.116 175.328 0.206 0.000 1.087 458 H CA -0.223 55.949 56.048 0.206 0.000 1.405 458 H CB 0.637 30.485 29.762 0.144 0.000 1.460 458 H HN 0.312 nan 8.280 nan 0.000 0.538 459 R N 4.070 124.505 120.500 -0.108 0.000 2.513 459 R HA 0.381 4.903 4.340 0.303 0.000 0.301 459 R C -1.487 174.669 176.300 -0.240 0.000 0.968 459 R CA -0.893 55.140 56.100 -0.111 0.000 0.872 459 R CB 2.399 32.724 30.300 0.042 0.000 1.177 459 R HN 0.262 nan 8.270 nan 0.000 0.444 460 V N 3.778 123.574 119.914 -0.197 0.000 2.483 460 V HA 0.420 4.722 4.120 0.303 0.000 0.297 460 V C -0.172 175.885 176.094 -0.062 0.000 1.027 460 V CA -0.955 61.260 62.300 -0.143 0.000 0.855 460 V CB 1.863 33.596 31.823 -0.150 0.000 0.995 460 V HN 0.560 nan 8.190 nan 0.000 0.424 461 R N 3.471 123.951 120.500 -0.034 0.000 2.229 461 R HA 0.680 5.201 4.340 0.303 0.000 0.328 461 R C -0.519 175.774 176.300 -0.013 0.000 1.009 461 R CA -0.092 55.996 56.100 -0.020 0.000 0.864 461 R CB 1.612 31.907 30.300 -0.008 0.000 1.085 461 R HN 0.710 nan 8.270 nan 0.000 0.453 462 V N -0.785 119.121 119.914 -0.014 0.000 3.160 462 V HA 0.812 5.114 4.120 0.303 0.000 0.310 462 V C -0.316 175.772 176.094 -0.009 0.000 1.181 462 V CA -0.854 61.441 62.300 -0.008 0.000 1.047 462 V CB 2.330 34.149 31.823 -0.007 0.000 1.068 462 V HN 0.784 nan 8.190 nan 0.000 0.441 463 S N 0.283 115.979 115.700 -0.006 0.000 2.671 463 S HA 0.875 5.527 4.470 0.303 0.000 0.299 463 S C -0.824 173.772 174.600 -0.006 0.000 1.116 463 S CA -0.737 57.459 58.200 -0.007 0.000 0.912 463 S CB 1.670 64.867 63.200 -0.005 0.000 1.130 463 S HN 1.395 nan 8.310 nan 0.000 0.501 464 V N 2.191 122.101 119.914 -0.007 0.000 2.394 464 V HA 0.364 4.665 4.120 0.303 0.000 0.282 464 V C 0.282 176.374 176.094 -0.004 0.000 1.031 464 V CA -0.707 61.589 62.300 -0.006 0.000 0.881 464 V CB 0.969 32.788 31.823 -0.007 0.000 0.982 464 V HN 0.940 nan 8.190 nan 0.000 0.451 465 Q N 2.784 122.582 119.800 -0.003 0.000 2.326 465 Q HA 0.023 4.544 4.340 0.303 0.000 0.314 465 Q C -0.013 175.985 176.000 -0.002 0.000 1.091 465 Q CA 0.434 56.236 55.803 -0.002 0.000 0.974 465 Q CB 0.507 29.244 28.738 -0.001 0.000 1.220 465 Q HN 0.653 nan 8.270 nan 0.000 0.398 466 D N 0.000 120.399 120.400 -0.002 0.000 6.856 466 D HA 0.000 4.822 4.640 0.303 0.000 0.175 466 D CA 0.000 53.999 54.000 -0.002 0.000 0.868 466 D CB 0.000 40.799 40.800 -0.002 0.000 0.688 466 D HN 0.000 nan 8.370 nan 0.000 0.683