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 1h5a_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILRLH FHDcFVNGcD DATA SEQUENCE ASILLDNTTS FRTEKDAFGN ANSARGFPVI DRMKAAVESA cPRTVScADL DATA SEQUENCE LTIAAQQSVT LAGGPSWRVP LGRRDSLQAF LDLANANLPA PFFTLPQLKD DATA SEQUENCE SFRNVGLNRS SDLVALSGGH TFGKNQcRFI MDRLYNFSNT GLPDPTLNTT DATA SEQUENCE YLQTLRGLcP LNGNLSALVD FDLRTPTIFD NKYYVNLEEQ KGLIQSDQEL DATA SEQUENCE FSSPNATDTI PLVRSFANST QTFFNAFVEA MDRMGNITPL TGTQGQIRLN DATA SEQUENCE cRVVNS 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 1 Q HA 0.000 nan 4.340 nan 0.000 0.214 1 Q C 0.000 175.985 176.000 -0.024 0.000 1.003 1 Q CA 0.000 55.794 55.803 -0.015 0.000 1.022 1 Q CB 0.000 28.735 28.738 -0.005 0.000 1.108 2 L N 0.940 122.136 121.223 -0.044 0.000 2.439 2 L HA 0.544 5.395 4.340 0.851 0.000 0.269 2 L C 0.359 177.216 176.870 -0.021 0.000 1.179 2 L CA 0.198 54.996 54.840 -0.070 0.000 0.828 2 L CB 0.771 42.786 42.059 -0.074 0.000 1.106 2 L HN 0.616 nan 8.230 nan 0.000 0.467 3 T N 1.324 115.872 114.554 -0.010 0.000 2.933 3 T HA 0.382 5.242 4.350 0.851 0.000 0.305 3 T C -2.282 172.440 174.700 0.037 0.000 1.092 3 T CA -1.480 60.639 62.100 0.031 0.000 1.008 3 T CB 2.051 70.954 68.868 0.059 0.000 1.102 3 T HN 0.233 nan 8.240 nan 0.000 0.469 4 P HA -0.003 nan 4.420 nan 0.000 0.222 4 P C 1.201 178.528 177.300 0.046 0.000 1.147 4 P CA 1.018 64.141 63.100 0.038 0.000 0.790 4 P CB 0.042 31.766 31.700 0.041 0.000 0.780 5 T N -5.715 108.865 114.554 0.043 0.000 3.144 5 T HA 0.070 4.931 4.350 0.851 0.000 0.249 5 T C 1.385 176.089 174.700 0.006 0.000 1.089 5 T CA -0.340 61.777 62.100 0.028 0.000 0.989 5 T CB -1.281 67.592 68.868 0.008 0.000 0.992 5 T HN -0.112 nan 8.240 nan 0.000 0.540 6 F N 2.112 121.958 119.950 -0.173 0.000 2.141 6 F HA -0.177 4.862 4.527 0.853 0.000 0.300 6 F C 1.006 176.586 175.800 -0.367 0.000 1.079 6 F CA 1.411 59.210 58.000 -0.336 0.000 1.264 6 F CB -0.210 38.453 39.000 -0.562 0.000 1.011 6 F HN 0.268 nan 8.300 nan 0.000 0.487 7 Y N -0.696 119.647 120.300 0.072 0.000 2.555 7 Y HA 0.148 5.208 4.550 0.851 0.000 0.259 7 Y C 1.526 177.404 175.900 -0.037 0.000 1.179 7 Y CA -0.579 57.516 58.100 -0.008 0.000 1.230 7 Y CB -0.742 37.763 38.460 0.075 0.000 1.146 7 Y HN -0.035 nan 8.280 nan 0.000 0.526 8 D N -0.034 120.403 120.400 0.063 0.000 2.309 8 D HA -0.143 5.007 4.640 0.851 0.000 0.212 8 D C 1.334 177.639 176.300 0.009 0.000 0.968 8 D CA 1.117 55.137 54.000 0.033 0.000 0.882 8 D CB 0.174 40.979 40.800 0.008 0.000 0.918 8 D HN 0.357 nan 8.370 nan 0.000 0.503 9 N N -0.853 117.839 118.700 -0.014 0.000 2.545 9 N HA -0.034 5.217 4.740 0.851 0.000 0.190 9 N C 1.750 177.255 175.510 -0.008 0.000 1.043 9 N CA 0.702 53.738 53.050 -0.023 0.000 0.879 9 N CB 0.114 38.569 38.487 -0.054 0.000 1.210 9 N HN 0.100 nan 8.380 nan 0.000 0.437 10 S N -1.024 114.679 115.700 0.006 0.000 2.436 10 S HA 0.060 5.041 4.470 0.851 0.000 0.228 10 S C 1.188 175.813 174.600 0.042 0.000 1.014 10 S CA 0.074 58.292 58.200 0.032 0.000 0.950 10 S CB -0.014 63.222 63.200 0.061 0.000 0.784 10 S HN 0.281 nan 8.310 nan 0.000 0.504 11 c N 2.857 121.496 118.600 0.066 0.000 3.253 11 c HA 0.434 5.515 4.570 0.851 0.000 0.230 11 c C -1.942 172.163 174.090 0.026 0.000 1.124 11 c CA -1.233 55.098 56.329 0.004 0.000 1.143 11 c CB 0.912 43.358 42.510 -0.106 0.000 1.794 11 c HN 0.341 nan 8.230 nan 0.000 0.617 12 P HA -0.092 nan 4.420 nan 0.000 0.219 12 P C 0.491 177.794 177.300 0.005 0.000 1.146 12 P CA 1.595 64.709 63.100 0.023 0.000 0.808 12 P CB 0.165 31.872 31.700 0.010 0.000 0.779 13 N N -0.875 117.817 118.700 -0.013 0.000 2.276 13 N HA 0.019 5.270 4.740 0.851 0.000 0.212 13 N C 1.402 176.887 175.510 -0.042 0.000 1.127 13 N CA -0.113 52.922 53.050 -0.025 0.000 0.834 13 N CB -0.340 38.132 38.487 -0.025 0.000 1.014 13 N HN -0.067 nan 8.380 nan 0.000 0.491 14 V N -0.337 119.545 119.914 -0.053 0.000 2.295 14 V HA -0.238 4.393 4.120 0.851 0.000 0.246 14 V C 2.200 178.250 176.094 -0.073 0.000 1.049 14 V CA 2.069 64.316 62.300 -0.088 0.000 1.024 14 V CB -0.399 31.331 31.823 -0.155 0.000 0.648 14 V HN 0.411 nan 8.190 nan 0.000 0.447 15 S N 0.033 115.700 115.700 -0.055 0.000 2.382 15 S HA -0.197 4.784 4.470 0.851 0.000 0.228 15 S C 1.821 176.382 174.600 -0.066 0.000 1.027 15 S CA 1.843 60.002 58.200 -0.069 0.000 0.991 15 S CB -0.597 62.562 63.200 -0.069 0.000 0.823 15 S HN 0.790 nan 8.310 nan 0.000 0.469 16 N N 1.190 119.859 118.700 -0.051 0.000 2.188 16 N HA 0.016 5.267 4.740 0.851 0.000 0.184 16 N C 1.788 177.272 175.510 -0.044 0.000 1.018 16 N CA 1.390 54.413 53.050 -0.044 0.000 0.858 16 N CB -0.367 38.099 38.487 -0.034 0.000 0.989 16 N HN 0.472 nan 8.380 nan 0.000 0.426 17 I N 0.713 121.255 120.570 -0.047 0.000 2.315 17 I HA -0.176 4.505 4.170 0.851 0.000 0.248 17 I C 2.151 178.238 176.117 -0.049 0.000 1.117 17 I CA 0.638 61.910 61.300 -0.045 0.000 1.404 17 I CB -0.157 37.813 38.000 -0.050 0.000 1.071 17 I HN -0.115 nan 8.210 nan 0.000 0.419 18 V N 0.916 120.794 119.914 -0.060 0.000 2.307 18 V HA -0.272 4.359 4.120 0.851 0.000 0.245 18 V C 2.652 178.710 176.094 -0.059 0.000 1.045 18 V CA 1.936 64.198 62.300 -0.063 0.000 1.024 18 V CB -0.744 31.031 31.823 -0.081 0.000 0.651 18 V HN 0.416 nan 8.190 nan 0.000 0.449 19 R N 0.165 120.628 120.500 -0.062 0.000 2.083 19 R HA -0.209 4.642 4.340 0.851 0.000 0.237 19 R C 2.055 178.332 176.300 -0.039 0.000 1.137 19 R CA 2.245 58.312 56.100 -0.055 0.000 0.951 19 R CB -0.435 29.831 30.300 -0.057 0.000 0.851 19 R HN 0.489 nan 8.270 nan 0.000 0.434 20 D N -0.371 120.008 120.400 -0.034 0.000 2.123 20 D HA -0.136 5.014 4.640 0.851 0.000 0.196 20 D C 1.786 178.073 176.300 -0.023 0.000 0.992 20 D CA 1.866 55.850 54.000 -0.025 0.000 0.833 20 D CB -0.468 40.317 40.800 -0.024 0.000 0.954 20 D HN 0.302 nan 8.370 nan 0.000 0.455 21 T N 0.917 115.455 114.554 -0.027 0.000 2.746 21 T HA -0.075 4.785 4.350 0.851 0.000 0.267 21 T C 2.211 176.897 174.700 -0.023 0.000 1.039 21 T CA 0.657 62.742 62.100 -0.024 0.000 1.142 21 T CB -0.172 68.679 68.868 -0.027 0.000 0.866 21 T HN 0.182 nan 8.240 nan 0.000 0.444 22 I N 0.756 121.310 120.570 -0.028 0.000 2.315 22 I HA -0.119 4.562 4.170 0.851 0.000 0.248 22 I C 2.458 178.566 176.117 -0.015 0.000 1.117 22 I CA 0.734 62.019 61.300 -0.025 0.000 1.404 22 I CB -0.496 37.486 38.000 -0.031 0.000 1.071 22 I HN 0.082 nan 8.210 nan 0.000 0.419 23 V N 1.450 121.355 119.914 -0.014 0.000 2.287 23 V HA -0.288 4.343 4.120 0.851 0.000 0.248 23 V C 2.224 178.316 176.094 -0.004 0.000 1.053 23 V CA 1.963 64.259 62.300 -0.007 0.000 1.027 23 V CB -0.842 30.976 31.823 -0.008 0.000 0.646 23 V HN 0.472 nan 8.190 nan 0.000 0.447 24 N N 0.048 118.744 118.700 -0.007 0.000 2.084 24 N HA -0.191 5.060 4.740 0.851 0.000 0.190 24 N C 1.964 177.471 175.510 -0.004 0.000 1.030 24 N CA 1.588 54.635 53.050 -0.005 0.000 0.849 24 N CB -0.301 38.182 38.487 -0.007 0.000 1.012 24 N HN 0.515 nan 8.380 nan 0.000 0.423 25 E N 1.414 121.609 120.200 -0.008 0.000 2.110 25 E HA -0.025 4.835 4.350 0.851 0.000 0.193 25 E C 2.052 178.648 176.600 -0.007 0.000 0.988 25 E CA 0.615 57.010 56.400 -0.009 0.000 0.804 25 E CB -0.390 29.301 29.700 -0.015 0.000 0.745 25 E HN 0.302 nan 8.360 nan 0.000 0.458 26 L N 0.014 121.235 121.223 -0.004 0.000 2.187 26 L HA -0.156 4.695 4.340 0.851 0.000 0.213 26 L C 2.524 179.398 176.870 0.007 0.000 1.100 26 L CA 1.096 55.937 54.840 0.002 0.000 0.765 26 L CB -0.251 41.815 42.059 0.011 0.000 0.904 26 L HN 0.116 nan 8.230 nan 0.000 0.437 27 R N -0.555 119.948 120.500 0.006 0.000 2.092 27 R HA -0.121 4.730 4.340 0.851 0.000 0.231 27 R C 2.429 178.733 176.300 0.007 0.000 1.119 27 R CA 1.734 57.839 56.100 0.008 0.000 0.970 27 R CB -0.224 30.080 30.300 0.006 0.000 0.864 27 R HN 0.477 nan 8.270 nan 0.000 0.440 28 S N -0.781 114.921 115.700 0.004 0.000 2.483 28 S HA -0.013 4.968 4.470 0.851 0.000 0.221 28 S C 0.304 174.905 174.600 0.002 0.000 1.030 28 S CA -0.053 58.149 58.200 0.004 0.000 0.925 28 S CB 0.475 63.677 63.200 0.003 0.000 0.795 28 S HN 0.083 nan 8.310 nan 0.000 0.511 29 D N 2.024 122.423 120.400 -0.001 0.000 2.346 29 D HA 0.361 5.511 4.640 0.851 0.000 0.255 29 D C -2.228 174.067 176.300 -0.009 0.000 1.276 29 D CA -2.169 51.827 54.000 -0.006 0.000 0.941 29 D CB 1.861 42.653 40.800 -0.013 0.000 1.199 29 D HN -0.027 nan 8.370 nan 0.000 0.537 30 P HA -0.089 nan 4.420 nan 0.000 0.234 30 P C 1.071 178.362 177.300 -0.014 0.000 1.167 30 P CA 0.339 63.443 63.100 0.006 0.000 0.763 30 P CB 0.386 32.098 31.700 0.020 0.000 0.835 31 R N -0.482 119.996 120.500 -0.037 0.000 2.280 31 R HA 0.076 4.927 4.340 0.851 0.000 0.195 31 R C 2.032 178.258 176.300 -0.124 0.000 0.935 31 R CA -0.111 55.940 56.100 -0.082 0.000 1.033 31 R CB -0.494 29.773 30.300 -0.055 0.000 0.964 31 R HN -0.036 nan 8.270 nan 0.000 0.489 32 I N 1.388 121.907 120.570 -0.085 0.000 2.335 32 I HA -0.223 4.458 4.170 0.851 0.000 0.251 32 I C 1.974 178.026 176.117 -0.108 0.000 1.129 32 I CA 1.491 62.737 61.300 -0.090 0.000 1.402 32 I CB -0.253 37.713 38.000 -0.057 0.000 1.069 32 I HN 0.238 nan 8.210 nan 0.000 0.424 33 A N 0.280 123.041 122.820 -0.099 0.000 1.877 33 A HA -0.100 4.731 4.320 0.851 0.000 0.216 33 A C 2.520 179.992 177.584 -0.187 0.000 1.186 33 A CA 1.902 53.905 52.037 -0.058 0.000 0.620 33 A CB -1.326 17.720 19.000 0.078 0.000 0.822 33 A HN 0.512 nan 8.150 nan 0.000 0.443 34 A N -0.478 121.997 122.820 -0.575 0.000 1.902 34 A HA -0.078 4.753 4.320 0.851 0.000 0.217 34 A C 2.441 179.835 177.584 -0.318 0.000 1.181 34 A CA 2.119 53.618 52.037 -0.898 0.000 0.623 34 A CB -0.933 17.407 19.000 -1.101 0.000 0.818 34 A HN 0.466 nan 8.150 nan 0.000 0.443 35 S N -0.119 115.441 115.700 -0.233 0.000 2.370 35 S HA -0.119 4.861 4.470 0.851 0.000 0.226 35 S C 1.786 176.299 174.600 -0.146 0.000 1.033 35 S CA 1.528 59.629 58.200 -0.166 0.000 1.011 35 S CB -0.482 62.623 63.200 -0.157 0.000 0.852 35 S HN 0.544 nan 8.310 nan 0.000 0.457 36 I N 0.908 121.411 120.570 -0.112 0.000 2.252 36 I HA -0.140 4.541 4.170 0.851 0.000 0.245 36 I C 2.293 178.416 176.117 0.010 0.000 1.102 36 I CA 0.682 61.939 61.300 -0.071 0.000 1.385 36 I CB -0.294 37.672 38.000 -0.056 0.000 1.064 36 I HN 0.241 nan 8.210 nan 0.000 0.414 37 L N 1.106 122.367 121.223 0.064 0.000 2.046 37 L HA -0.205 4.646 4.340 0.851 0.000 0.208 37 L C 2.588 179.572 176.870 0.190 0.000 1.077 37 L CA 1.818 56.770 54.840 0.186 0.000 0.747 37 L CB -0.692 41.559 42.059 0.319 0.000 0.896 37 L HN 0.089 nan 8.230 nan 0.000 0.432 38 R N -0.766 119.783 120.500 0.082 0.000 2.092 38 R HA -0.107 4.743 4.340 0.851 0.000 0.231 38 R C 2.278 178.519 176.300 -0.098 0.000 1.119 38 R CA 1.475 57.592 56.100 0.028 0.000 0.970 38 R CB -0.269 29.969 30.300 -0.103 0.000 0.864 38 R HN 0.461 nan 8.270 nan 0.000 0.440 39 L N -0.553 120.616 121.223 -0.090 0.000 2.046 39 L HA -0.218 4.633 4.340 0.851 0.000 0.208 39 L C 2.533 179.454 176.870 0.085 0.000 1.077 39 L CA 1.625 56.425 54.840 -0.067 0.000 0.747 39 L CB -0.625 41.369 42.059 -0.108 0.000 0.896 39 L HN 0.353 nan 8.230 nan 0.000 0.432 40 H N -0.170 118.930 119.070 0.050 0.000 2.353 40 H HA -0.252 4.815 4.556 0.853 0.000 0.300 40 H C 1.930 177.364 175.328 0.176 0.000 1.090 40 H CA 1.771 57.880 56.048 0.100 0.000 1.327 40 H CB -0.205 29.614 29.762 0.096 0.000 1.383 40 H HN 0.278 nan 8.280 nan 0.000 0.508 41 F N 0.798 120.725 119.950 -0.038 0.000 2.102 41 F HA -0.188 4.844 4.527 0.842 0.000 0.298 41 F C 2.106 177.924 175.800 0.029 0.000 1.105 41 F CA 2.195 60.144 58.000 -0.086 0.000 1.239 41 F CB -1.104 37.849 39.000 -0.077 0.000 0.991 41 F HN 0.358 nan 8.300 nan 0.000 0.474 42 H N -1.376 117.403 119.070 -0.485 0.000 2.491 42 H HA -0.124 4.941 4.556 0.849 0.000 0.290 42 H C 1.619 176.834 175.328 -0.190 0.000 1.050 42 H CA 0.779 56.525 56.048 -0.504 0.000 1.309 42 H CB -0.017 29.556 29.762 -0.315 0.000 1.392 42 H HN 0.356 nan 8.280 nan 0.000 0.554 43 D N 0.383 120.803 120.400 0.033 0.000 2.110 43 D HA -0.105 5.046 4.640 0.851 0.000 0.202 43 D C 2.167 178.469 176.300 0.003 0.000 0.975 43 D CA 0.781 54.809 54.000 0.046 0.000 0.839 43 D CB -0.444 40.409 40.800 0.088 0.000 0.996 43 D HN 0.223 nan 8.370 nan 0.000 0.464 44 c N -0.111 118.467 118.600 -0.036 0.000 2.422 44 c HA -0.036 5.045 4.570 0.851 0.000 0.279 44 c C 2.274 176.382 174.090 0.029 0.000 1.305 44 c CA 0.075 56.389 56.329 -0.025 0.000 1.757 44 c CB -1.547 40.917 42.510 -0.078 0.000 1.962 44 c HN 0.264 nan 8.230 nan 0.000 0.499 45 F N 0.491 120.326 119.950 -0.192 0.000 2.811 45 F HA 0.159 5.198 4.527 0.853 0.000 0.301 45 F C 0.710 176.393 175.800 -0.195 0.000 1.151 45 F CA 0.630 58.505 58.000 -0.208 0.000 1.412 45 F CB 0.016 38.841 39.000 -0.291 0.000 1.113 45 F HN -0.046 nan 8.300 nan 0.000 0.579 46 V N 0.281 120.164 119.914 -0.050 0.000 2.385 46 V HA 0.229 4.860 4.120 0.851 0.000 0.277 46 V C 0.188 176.160 176.094 -0.205 0.000 1.012 46 V CA -1.009 61.225 62.300 -0.110 0.000 0.832 46 V CB 0.934 32.736 31.823 -0.036 0.000 1.028 46 V HN 0.279 nan 8.190 nan 0.000 0.436 47 N N 3.369 121.867 118.700 -0.337 0.000 2.753 47 N HA -0.153 5.098 4.740 0.851 0.000 0.251 47 N C 0.376 175.742 175.510 -0.240 0.000 1.097 47 N CA 2.011 54.797 53.050 -0.441 0.000 0.786 47 N CB -0.754 37.187 38.487 -0.909 0.000 1.137 47 N HN 1.871 nan 8.380 nan 0.000 0.566 48 G N -1.947 106.749 108.800 -0.173 0.000 2.757 48 G HA2 -0.226 4.244 3.960 0.851 0.000 0.638 48 G HA3 -0.226 4.244 3.960 0.851 0.000 0.638 48 G C -0.015 174.850 174.900 -0.058 0.000 1.344 48 G CA -0.403 44.629 45.100 -0.114 0.000 0.855 48 G HN 0.867 nan 8.290 nan 0.000 0.537 49 c N 1.348 119.930 118.600 -0.031 0.000 2.305 49 c HA 0.493 5.573 4.570 0.851 0.000 0.378 49 c C 0.895 175.007 174.090 0.037 0.000 1.047 49 c CA 0.145 56.485 56.329 0.019 0.000 1.385 49 c CB -1.221 41.325 42.510 0.061 0.000 1.825 49 c HN 0.791 nan 8.230 nan 0.000 0.508 50 D N 0.587 121.014 120.400 0.044 0.000 2.563 50 D HA 0.253 5.404 4.640 0.851 0.000 0.237 50 D C 1.084 177.428 176.300 0.072 0.000 1.282 50 D CA 0.250 54.281 54.000 0.052 0.000 0.816 50 D CB -0.234 40.597 40.800 0.052 0.000 1.066 50 D HN 0.594 nan 8.370 nan 0.000 0.501 51 A N 0.724 123.596 122.820 0.087 0.000 2.816 51 A HA -0.294 4.536 4.320 0.851 0.000 0.270 51 A C 1.895 179.532 177.584 0.089 0.000 1.413 51 A CA 1.455 53.550 52.037 0.095 0.000 0.866 51 A CB -2.597 16.452 19.000 0.082 0.000 1.032 51 A HN 0.779 nan 8.150 nan 0.000 0.642 52 S N -0.577 115.182 115.700 0.098 0.000 2.399 52 S HA -0.101 4.879 4.470 0.851 0.000 0.231 52 S C 1.732 176.374 174.600 0.070 0.000 1.022 52 S CA 1.259 59.511 58.200 0.087 0.000 0.983 52 S CB -0.532 62.806 63.200 0.230 0.000 0.803 52 S HN 1.286 nan 8.310 nan 0.000 0.480 53 I N 0.901 121.537 120.570 0.110 0.000 2.614 53 I HA -0.028 4.653 4.170 0.851 0.000 0.258 53 I C 1.698 177.888 176.117 0.122 0.000 1.189 53 I CA 1.017 62.396 61.300 0.131 0.000 1.462 53 I CB -0.064 38.051 38.000 0.193 0.000 1.092 53 I HN 0.312 nan 8.210 nan 0.000 0.442 54 L N 0.548 121.845 121.223 0.123 0.000 2.478 54 L HA 0.043 4.893 4.340 0.851 0.000 0.223 54 L C 0.797 177.662 176.870 -0.008 0.000 1.140 54 L CA 0.012 54.909 54.840 0.095 0.000 0.842 54 L CB -0.373 41.770 42.059 0.141 0.000 0.953 54 L HN 0.136 nan 8.230 nan 0.000 0.452 55 L N 0.519 121.749 121.223 0.012 0.000 2.416 55 L HA 0.079 4.930 4.340 0.851 0.000 0.272 55 L C 0.098 176.978 176.870 0.016 0.000 1.161 55 L CA -0.029 54.837 54.840 0.043 0.000 0.845 55 L CB 0.368 42.489 42.059 0.103 0.000 1.119 55 L HN 0.041 nan 8.230 nan 0.000 0.464 56 D N 1.267 121.670 120.400 0.004 0.000 2.432 56 D HA 0.160 5.311 4.640 0.851 0.000 0.258 56 D C 0.051 176.335 176.300 -0.027 0.000 1.146 56 D CA -0.487 53.484 54.000 -0.048 0.000 1.015 56 D CB 0.608 41.360 40.800 -0.079 0.000 1.107 56 D HN 0.357 nan 8.370 nan 0.000 0.529 57 N N -0.104 118.548 118.700 -0.081 0.000 2.395 57 N HA 0.062 5.313 4.740 0.851 0.000 0.246 57 N C -0.076 175.266 175.510 -0.280 0.000 1.246 57 N CA 0.558 53.521 53.050 -0.145 0.000 0.879 57 N CB 0.445 38.864 38.487 -0.113 0.000 1.098 57 N HN 0.414 nan 8.380 nan 0.000 0.444 58 T N -3.482 110.790 114.554 -0.470 0.000 2.841 58 T HA 0.304 5.165 4.350 0.851 0.000 0.296 58 T C 1.103 175.575 174.700 -0.380 0.000 1.166 58 T CA -0.516 61.278 62.100 -0.510 0.000 1.007 58 T CB 0.904 69.246 68.868 -0.876 0.000 1.253 58 T HN 0.420 nan 8.240 nan 0.000 0.511 59 T N -1.244 113.148 114.554 -0.269 0.000 3.072 59 T HA 0.008 4.868 4.350 0.851 0.000 0.266 59 T C 1.805 176.410 174.700 -0.158 0.000 1.127 59 T CA 1.160 63.156 62.100 -0.173 0.000 1.107 59 T CB -0.632 68.166 68.868 -0.117 0.000 0.910 59 T HN 0.791 nan 8.240 nan 0.000 0.513 60 S N 0.582 116.147 115.700 -0.224 0.000 2.492 60 S HA 0.370 5.351 4.470 0.851 0.000 0.218 60 S C 0.194 174.785 174.600 -0.015 0.000 1.016 60 S CA -0.859 57.275 58.200 -0.109 0.000 0.916 60 S CB -0.449 62.714 63.200 -0.060 0.000 0.791 60 S HN 0.706 nan 8.310 nan 0.000 0.513 61 F N 0.156 120.061 119.950 -0.075 0.000 2.619 61 F HA 0.809 5.845 4.527 0.849 0.000 0.308 61 F C -0.728 175.017 175.800 -0.091 0.000 1.097 61 F CA -1.618 56.325 58.000 -0.095 0.000 0.953 61 F CB 0.902 39.815 39.000 -0.146 0.000 1.287 61 F HN -0.315 nan 8.300 nan 0.000 0.446 62 R N 1.159 121.783 120.500 0.207 0.000 2.531 62 R HA 0.381 5.232 4.340 0.851 0.000 0.273 62 R C -0.059 176.347 176.300 0.177 0.000 1.070 62 R CA -0.595 55.570 56.100 0.109 0.000 1.112 62 R CB 1.341 31.664 30.300 0.038 0.000 1.049 62 R HN 0.938 nan 8.270 nan 0.000 0.508 63 T N 0.138 114.743 114.554 0.086 0.000 2.913 63 T HA 0.061 4.922 4.350 0.851 0.000 0.297 63 T C 0.992 175.699 174.700 0.011 0.000 1.029 63 T CA -0.230 61.906 62.100 0.060 0.000 1.104 63 T CB 0.492 69.354 68.868 -0.011 0.000 0.964 63 T HN 0.475 nan 8.240 nan 0.000 0.532 64 E N 2.022 122.228 120.200 0.009 0.000 2.418 64 E HA -0.048 4.812 4.350 0.851 0.000 0.197 64 E C 1.811 178.416 176.600 0.009 0.000 1.026 64 E CA 0.580 56.989 56.400 0.015 0.000 0.862 64 E CB 0.160 29.888 29.700 0.046 0.000 0.799 64 E HN 0.639 nan 8.360 nan 0.000 0.518 65 K N 0.661 121.048 120.400 -0.022 0.000 2.360 65 K HA -0.101 4.730 4.320 0.851 0.000 0.201 65 K C 0.713 177.309 176.600 -0.007 0.000 1.046 65 K CA 0.733 57.008 56.287 -0.019 0.000 0.945 65 K CB 0.188 32.595 32.500 -0.154 0.000 0.750 65 K HN 0.039 nan 8.250 nan 0.000 0.464 66 D N 0.436 120.810 120.400 -0.043 0.000 2.342 66 D HA 0.097 5.248 4.640 0.851 0.000 0.221 66 D C -0.026 176.172 176.300 -0.170 0.000 1.101 66 D CA 0.080 54.032 54.000 -0.081 0.000 0.837 66 D CB 0.328 41.077 40.800 -0.085 0.000 0.938 66 D HN 0.126 nan 8.370 nan 0.000 0.508 67 A N -0.234 122.509 122.820 -0.127 0.000 2.366 67 A HA 0.224 5.054 4.320 0.851 0.000 0.249 67 A C 0.803 178.288 177.584 -0.165 0.000 1.084 67 A CA -0.332 51.588 52.037 -0.196 0.000 0.794 67 A CB 0.151 19.113 19.000 -0.063 0.000 1.034 67 A HN -0.009 nan 8.150 nan 0.000 0.491 68 F N 1.245 121.238 119.950 0.072 0.000 2.202 68 F HA -0.059 5.006 4.527 0.896 0.000 0.301 68 F C 2.394 178.255 175.800 0.101 0.000 1.082 68 F CA 1.942 60.003 58.000 0.101 0.000 1.313 68 F CB -0.579 38.490 39.000 0.115 0.000 1.024 68 F HN 0.616 nan 8.300 nan 0.000 0.495 69 G N -1.277 107.633 108.800 0.183 0.000 2.880 69 G HA2 -0.087 4.384 3.960 0.851 0.000 0.209 69 G HA3 -0.087 4.384 3.960 0.851 0.000 0.209 69 G C 1.460 176.465 174.900 0.175 0.000 1.157 69 G CA 0.301 45.458 45.100 0.095 0.000 0.779 69 G HN 0.235 nan 8.290 nan 0.000 0.539 70 N N 0.454 119.249 118.700 0.159 0.000 2.564 70 N HA 0.138 5.389 4.740 0.851 0.000 0.202 70 N C 1.242 176.864 175.510 0.186 0.000 1.052 70 N CA 0.307 53.484 53.050 0.212 0.000 0.872 70 N CB 0.091 38.696 38.487 0.196 0.000 1.303 70 N HN 0.179 nan 8.380 nan 0.000 0.440 71 A N 1.843 124.741 122.820 0.130 0.000 2.567 71 A HA 0.048 4.879 4.320 0.851 0.000 0.240 71 A C 0.778 178.451 177.584 0.148 0.000 1.053 71 A CA 0.194 52.298 52.037 0.112 0.000 0.755 71 A CB -0.484 18.552 19.000 0.059 0.000 0.978 71 A HN 0.494 nan 8.150 nan 0.000 0.507 72 N N 0.377 119.155 118.700 0.130 0.000 2.710 72 N HA -0.195 5.056 4.740 0.851 0.000 0.249 72 N C 0.327 175.931 175.510 0.157 0.000 1.059 72 N CA 1.693 54.818 53.050 0.125 0.000 0.720 72 N CB -0.976 37.574 38.487 0.105 0.000 0.983 72 N HN 0.811 nan 8.380 nan 0.000 0.544 73 S N -2.322 113.481 115.700 0.171 0.000 4.074 73 S HA 0.509 5.490 4.470 0.851 0.000 0.220 73 S C 0.039 174.715 174.600 0.127 0.000 1.164 73 S CA 0.459 58.768 58.200 0.181 0.000 1.020 73 S CB -0.492 62.855 63.200 0.244 0.000 1.299 73 S HN 0.692 nan 8.310 nan 0.000 0.509 74 A N 3.150 126.057 122.820 0.144 0.000 2.462 74 A HA 0.622 5.453 4.320 0.851 0.000 0.243 74 A C 0.297 177.883 177.584 0.004 0.000 1.076 74 A CA -0.004 52.067 52.037 0.057 0.000 0.773 74 A CB -0.067 19.049 19.000 0.193 0.000 1.010 74 A HN 0.738 nan 8.150 nan 0.000 0.493 75 R N 0.249 120.607 120.500 -0.237 0.000 2.752 75 R HA 0.706 5.557 4.340 0.851 0.000 0.271 75 R C 0.371 176.398 176.300 -0.455 0.000 1.026 75 R CA -0.387 55.561 56.100 -0.254 0.000 0.901 75 R CB 0.603 30.855 30.300 -0.079 0.000 1.243 75 R HN 2.034 nan 8.270 nan 0.000 0.463 76 G N -0.225 108.397 108.800 -0.296 0.000 2.179 76 G HA2 -0.254 4.216 3.960 0.851 0.000 0.220 76 G HA3 -0.254 4.216 3.960 0.851 0.000 0.220 76 G C 0.198 174.973 174.900 -0.208 0.000 0.990 76 G CA 0.203 45.159 45.100 -0.239 0.000 0.646 76 G HN 0.445 nan 8.290 nan 0.000 0.517 77 F N 1.431 121.386 119.950 0.009 0.000 2.120 77 F HA 0.040 5.074 4.527 0.845 0.000 0.300 77 F C 0.633 176.437 175.800 0.007 0.000 1.095 77 F CA 2.007 60.014 58.000 0.012 0.000 1.249 77 F CB -1.494 37.516 39.000 0.016 0.000 0.995 77 F HN 0.251 nan 8.300 nan 0.000 0.480 78 P HA -0.093 nan 4.420 nan 0.000 0.219 78 P C 1.875 179.206 177.300 0.053 0.000 1.150 78 P CA 1.098 64.256 63.100 0.096 0.000 0.814 78 P CB 0.025 31.769 31.700 0.073 0.000 0.787 79 V N -0.198 119.732 119.914 0.027 0.000 2.427 79 V HA -0.192 4.439 4.120 0.851 0.000 0.248 79 V C 2.249 178.347 176.094 0.006 0.000 1.051 79 V CA 1.407 63.708 62.300 0.002 0.000 1.048 79 V CB -1.012 30.797 31.823 -0.024 0.000 0.666 79 V HN 0.059 nan 8.190 nan 0.000 0.456 80 I N 0.218 120.800 120.570 0.020 0.000 2.315 80 I HA -0.161 4.520 4.170 0.851 0.000 0.248 80 I C 2.269 178.409 176.117 0.038 0.000 1.117 80 I CA 1.442 62.760 61.300 0.029 0.000 1.404 80 I CB -1.229 36.809 38.000 0.063 0.000 1.071 80 I HN 0.341 nan 8.210 nan 0.000 0.419 81 D N 0.510 120.943 120.400 0.055 0.000 2.117 81 D HA -0.195 4.956 4.640 0.851 0.000 0.197 81 D C 2.270 178.583 176.300 0.021 0.000 0.987 81 D CA 0.973 54.999 54.000 0.043 0.000 0.829 81 D CB -0.169 40.661 40.800 0.050 0.000 0.961 81 D HN 0.293 nan 8.370 nan 0.000 0.460 82 R N 0.595 121.105 120.500 0.016 0.000 2.070 82 R HA -0.126 4.724 4.340 0.851 0.000 0.233 82 R C 2.575 178.872 176.300 -0.005 0.000 1.137 82 R CA 1.651 57.754 56.100 0.005 0.000 0.945 82 R CB -0.169 30.132 30.300 0.003 0.000 0.845 82 R HN 0.229 nan 8.270 nan 0.000 0.430 83 M N -0.245 119.350 119.600 -0.009 0.000 2.229 83 M HA -0.046 4.944 4.480 0.851 0.000 0.264 83 M C 2.021 178.307 176.300 -0.024 0.000 1.063 83 M CA 1.727 57.014 55.300 -0.022 0.000 1.114 83 M CB -0.299 32.283 32.600 -0.029 0.000 1.387 83 M HN -0.134 nan 8.290 nan 0.000 0.420 84 K N 1.574 121.966 120.400 -0.014 0.000 2.026 84 K HA 0.007 4.838 4.320 0.851 0.000 0.208 84 K C 2.047 178.637 176.600 -0.017 0.000 1.048 84 K CA 2.108 58.386 56.287 -0.015 0.000 0.929 84 K CB -0.772 31.730 32.500 0.003 0.000 0.713 84 K HN 0.430 nan 8.250 nan 0.000 0.439 85 A N 0.548 123.363 122.820 -0.009 0.000 1.902 85 A HA -0.045 4.786 4.320 0.851 0.000 0.217 85 A C 2.396 179.970 177.584 -0.016 0.000 1.181 85 A CA 2.113 54.145 52.037 -0.009 0.000 0.623 85 A CB -1.101 17.897 19.000 -0.004 0.000 0.818 85 A HN 0.455 nan 8.150 nan 0.000 0.443 86 A N -0.725 122.083 122.820 -0.020 0.000 1.930 86 A HA 0.037 4.868 4.320 0.851 0.000 0.217 86 A C 2.194 179.758 177.584 -0.034 0.000 1.175 86 A CA 1.724 53.746 52.037 -0.024 0.000 0.627 86 A CB -0.770 18.215 19.000 -0.025 0.000 0.815 86 A HN 0.385 nan 8.150 nan 0.000 0.443 87 V N 0.055 119.943 119.914 -0.044 0.000 2.453 87 V HA -0.146 4.484 4.120 0.851 0.000 0.247 87 V C 2.468 178.528 176.094 -0.057 0.000 1.048 87 V CA 1.816 64.078 62.300 -0.064 0.000 1.049 87 V CB -0.605 31.165 31.823 -0.089 0.000 0.672 87 V HN 0.472 nan 8.190 nan 0.000 0.457 88 E N -0.059 120.116 120.200 -0.041 0.000 2.153 88 E HA -0.165 4.695 4.350 0.851 0.000 0.194 88 E C 2.487 179.072 176.600 -0.024 0.000 0.988 88 E CA 1.478 57.860 56.400 -0.030 0.000 0.811 88 E CB -0.312 29.377 29.700 -0.018 0.000 0.746 88 E HN 0.545 nan 8.360 nan 0.000 0.466 89 S N 0.181 115.868 115.700 -0.023 0.000 2.355 89 S HA -0.072 4.909 4.470 0.851 0.000 0.222 89 S C 2.028 176.615 174.600 -0.022 0.000 1.031 89 S CA 1.204 59.393 58.200 -0.019 0.000 0.993 89 S CB 0.004 63.194 63.200 -0.017 0.000 0.859 89 S HN 0.284 nan 8.310 nan 0.000 0.453 90 A N 0.379 123.182 122.820 -0.029 0.000 1.898 90 A HA 0.049 4.880 4.320 0.851 0.000 0.216 90 A C 1.478 179.043 177.584 -0.031 0.000 1.181 90 A CA 1.148 53.167 52.037 -0.030 0.000 0.620 90 A CB -0.800 18.177 19.000 -0.038 0.000 0.819 90 A HN 1.069 nan 8.150 nan 0.000 0.442 91 c N -3.190 115.386 118.600 -0.040 0.000 3.123 91 c HA 0.609 5.690 4.570 0.851 0.000 0.284 91 c C -3.220 170.851 174.090 -0.031 0.000 1.076 91 c CA -2.888 53.419 56.329 -0.037 0.000 1.416 91 c CB 0.132 42.611 42.510 -0.052 0.000 1.841 91 c HN 0.168 nan 8.230 nan 0.000 0.501 92 P HA 0.102 nan 4.420 nan 0.000 0.261 92 P C 0.364 177.665 177.300 0.001 0.000 1.173 92 P CA 0.983 64.078 63.100 -0.008 0.000 0.760 92 P CB 0.258 31.956 31.700 -0.004 0.000 0.783 93 R N 0.637 121.140 120.500 0.005 0.000 3.405 93 R HA -0.189 4.661 4.340 0.851 0.000 0.258 93 R C 0.424 176.748 176.300 0.041 0.000 1.030 93 R CA 0.960 57.073 56.100 0.022 0.000 0.691 93 R CB -2.663 27.652 30.300 0.026 0.000 1.093 93 R HN 0.531 nan 8.270 nan 0.000 0.448 94 T N -1.605 112.965 114.554 0.027 0.000 3.098 94 T HA 0.129 4.990 4.350 0.851 0.000 0.246 94 T C 0.654 175.410 174.700 0.093 0.000 0.983 94 T CA 0.380 62.521 62.100 0.069 0.000 1.094 94 T CB 0.650 69.531 68.868 0.023 0.000 1.035 94 T HN 0.048 nan 8.240 nan 0.000 0.456 95 V N 4.323 124.174 119.914 -0.105 0.000 2.406 95 V HA 0.441 5.071 4.120 0.851 0.000 0.272 95 V C 0.495 176.583 176.094 -0.011 0.000 1.043 95 V CA -1.086 61.081 62.300 -0.222 0.000 0.915 95 V CB 0.902 32.438 31.823 -0.478 0.000 0.988 95 V HN 0.576 nan 8.190 nan 0.000 0.466 96 S N 3.380 119.148 115.700 0.114 0.000 2.584 96 S HA 0.052 5.032 4.470 0.851 0.000 0.270 96 S C 1.210 175.840 174.600 0.050 0.000 1.346 96 S CA -0.413 57.839 58.200 0.086 0.000 1.018 96 S CB 0.825 64.084 63.200 0.098 0.000 0.899 96 S HN 0.726 nan 8.310 nan 0.000 0.542 97 c N 1.428 120.056 118.600 0.046 0.000 2.435 97 c HA 0.061 5.142 4.570 0.851 0.000 0.279 97 c C 3.116 177.241 174.090 0.058 0.000 1.321 97 c CA 0.807 57.163 56.329 0.046 0.000 1.752 97 c CB -2.090 40.452 42.510 0.054 0.000 1.959 97 c HN 1.010 nan 8.230 nan 0.000 0.500 98 A N 0.850 123.710 122.820 0.065 0.000 1.877 98 A HA -0.216 4.614 4.320 0.851 0.000 0.216 98 A C 1.815 179.443 177.584 0.074 0.000 1.186 98 A CA 2.233 54.317 52.037 0.077 0.000 0.620 98 A CB -0.572 18.464 19.000 0.060 0.000 0.822 98 A HN 0.504 nan 8.150 nan 0.000 0.443 99 D N -0.704 119.736 120.400 0.066 0.000 2.123 99 D HA -0.081 5.070 4.640 0.851 0.000 0.200 99 D C 1.861 178.180 176.300 0.030 0.000 0.976 99 D CA 0.985 55.030 54.000 0.076 0.000 0.831 99 D CB -0.360 40.562 40.800 0.204 0.000 0.974 99 D HN 0.304 nan 8.370 nan 0.000 0.469 100 L N 0.527 121.758 121.223 0.013 0.000 2.012 100 L HA -0.155 4.696 4.340 0.851 0.000 0.210 100 L C 2.086 178.932 176.870 -0.041 0.000 1.073 100 L CA 1.335 56.157 54.840 -0.029 0.000 0.748 100 L CB -0.546 41.497 42.059 -0.025 0.000 0.891 100 L HN 0.038 nan 8.230 nan 0.000 0.431 101 L N -1.251 119.967 121.223 -0.008 0.000 2.141 101 L HA -0.145 4.706 4.340 0.851 0.000 0.209 101 L C 2.283 179.066 176.870 -0.145 0.000 1.094 101 L CA 2.251 57.085 54.840 -0.010 0.000 0.763 101 L CB -0.992 41.123 42.059 0.093 0.000 0.908 101 L HN 0.330 nan 8.230 nan 0.000 0.437 102 T N -0.204 114.231 114.554 -0.197 0.000 2.737 102 T HA -0.112 4.748 4.350 0.851 0.000 0.265 102 T C 1.980 176.450 174.700 -0.383 0.000 1.038 102 T CA 1.915 63.709 62.100 -0.510 0.000 1.144 102 T CB -0.255 68.492 68.868 -0.202 0.000 0.866 102 T HN 0.312 nan 8.240 nan 0.000 0.434 103 I N 1.426 121.863 120.570 -0.221 0.000 2.226 103 I HA -0.153 4.527 4.170 0.851 0.000 0.245 103 I C 2.946 178.930 176.117 -0.221 0.000 1.100 103 I CA 1.010 62.180 61.300 -0.216 0.000 1.374 103 I CB -0.510 37.411 38.000 -0.131 0.000 1.057 103 I HN 0.186 nan 8.210 nan 0.000 0.413 104 A N 0.884 123.602 122.820 -0.170 0.000 1.940 104 A HA -0.178 4.653 4.320 0.851 0.000 0.219 104 A C 2.550 180.052 177.584 -0.137 0.000 1.176 104 A CA 1.931 53.889 52.037 -0.130 0.000 0.631 104 A CB -0.756 18.192 19.000 -0.086 0.000 0.814 104 A HN 0.440 nan 8.150 nan 0.000 0.446 105 A N -1.045 121.668 122.820 -0.179 0.000 1.873 105 A HA -0.196 4.635 4.320 0.851 0.000 0.215 105 A C 2.225 179.729 177.584 -0.132 0.000 1.186 105 A CA 1.761 53.731 52.037 -0.111 0.000 0.616 105 A CB -0.521 18.386 19.000 -0.155 0.000 0.823 105 A HN 0.561 nan 8.150 nan 0.000 0.442 106 Q N -0.677 118.942 119.800 -0.302 0.000 2.050 106 Q HA -0.212 4.639 4.340 0.851 0.000 0.202 106 Q C 2.023 177.770 176.000 -0.422 0.000 0.980 106 Q CA 1.758 57.230 55.803 -0.552 0.000 0.840 106 Q CB -0.326 27.814 28.738 -0.997 0.000 0.898 106 Q HN 0.642 nan 8.270 nan 0.000 0.424 107 Q N 0.034 119.650 119.800 -0.307 0.000 2.124 107 Q HA -0.061 4.790 4.340 0.851 0.000 0.202 107 Q C 2.221 178.144 176.000 -0.129 0.000 0.977 107 Q CA 1.346 57.025 55.803 -0.208 0.000 0.850 107 Q CB -0.223 28.419 28.738 -0.159 0.000 0.901 107 Q HN 0.299 nan 8.270 nan 0.000 0.429 108 S N 0.319 115.965 115.700 -0.090 0.000 2.356 108 S HA -0.095 4.886 4.470 0.851 0.000 0.223 108 S C 2.185 176.796 174.600 0.018 0.000 1.032 108 S CA 1.072 59.271 58.200 -0.002 0.000 1.005 108 S CB -0.192 63.033 63.200 0.042 0.000 0.867 108 S HN 0.142 nan 8.310 nan 0.000 0.449 109 V N 1.731 121.595 119.914 -0.083 0.000 2.343 109 V HA -0.191 4.440 4.120 0.851 0.000 0.247 109 V C 2.510 178.401 176.094 -0.338 0.000 1.051 109 V CA 2.144 64.235 62.300 -0.348 0.000 1.036 109 V CB -1.285 30.266 31.823 -0.453 0.000 0.654 109 V HN 0.519 nan 8.190 nan 0.000 0.451 110 T N 0.265 114.688 114.554 -0.217 0.000 2.746 110 T HA -0.110 4.751 4.350 0.851 0.000 0.267 110 T C 1.891 176.548 174.700 -0.071 0.000 1.039 110 T CA 1.397 63.408 62.100 -0.149 0.000 1.142 110 T CB -0.298 68.489 68.868 -0.135 0.000 0.866 110 T HN 0.289 nan 8.240 nan 0.000 0.444 111 L N 0.725 121.922 121.223 -0.044 0.000 2.131 111 L HA -0.034 4.817 4.340 0.851 0.000 0.210 111 L C 2.672 179.573 176.870 0.053 0.000 1.092 111 L CA 0.920 55.763 54.840 0.005 0.000 0.759 111 L CB -0.471 41.593 42.059 0.009 0.000 0.903 111 L HN 0.238 nan 8.230 nan 0.000 0.435 112 A N -0.765 122.104 122.820 0.082 0.000 2.238 112 A HA 0.311 5.142 4.320 0.851 0.000 0.208 112 A C 1.651 179.316 177.584 0.136 0.000 1.177 112 A CA 0.760 52.898 52.037 0.168 0.000 0.804 112 A CB -0.339 18.863 19.000 0.336 0.000 0.823 112 A HN 0.526 nan 8.150 nan 0.000 0.482 113 G N -2.293 106.555 108.800 0.079 0.000 2.179 113 G HA2 -0.017 4.454 3.960 0.851 0.000 0.220 113 G HA3 -0.017 4.454 3.960 0.851 0.000 0.220 113 G C 0.735 175.715 174.900 0.133 0.000 0.990 113 G CA 0.169 45.340 45.100 0.119 0.000 0.646 113 G HN 1.261 nan 8.290 nan 0.000 0.517 114 G N 0.267 109.015 108.800 -0.087 0.000 2.535 114 G HA2 0.696 5.166 3.960 0.851 0.000 0.282 114 G HA3 0.696 5.166 3.960 0.851 0.000 0.282 114 G C -1.583 173.012 174.900 -0.509 0.000 1.350 114 G CA -0.385 44.422 45.100 -0.489 0.000 1.039 114 G HN 0.290 nan 8.290 nan 0.000 0.509 115 P HA 0.180 nan 4.420 nan 0.000 0.272 115 P C -0.581 176.756 177.300 0.062 0.000 1.230 115 P CA -0.013 62.912 63.100 -0.292 0.000 0.788 115 P CB 1.419 32.881 31.700 -0.396 0.000 0.949 116 S N 1.520 117.314 115.700 0.157 0.000 2.478 116 S HA 0.736 5.717 4.470 0.851 0.000 0.312 116 S C -1.417 173.365 174.600 0.304 0.000 1.094 116 S CA -0.600 57.693 58.200 0.155 0.000 1.081 116 S CB 0.007 63.234 63.200 0.045 0.000 1.007 116 S HN 0.614 nan 8.310 nan 0.000 0.475 117 W N 3.533 124.784 121.300 -0.082 0.000 3.066 117 W HA 0.620 5.790 4.660 0.849 0.000 0.330 117 W C -1.748 174.739 176.519 -0.053 0.000 1.253 117 W CA -1.101 56.207 57.345 -0.061 0.000 1.187 117 W CB 0.622 30.041 29.460 -0.069 0.000 1.434 117 W HN 0.482 nan 8.180 nan 0.000 0.572 118 R N 2.710 123.200 120.500 -0.016 0.000 2.207 118 R HA 0.448 5.299 4.340 0.851 0.000 0.334 118 R C 0.100 176.359 176.300 -0.069 0.000 1.013 118 R CA -0.808 55.217 56.100 -0.126 0.000 0.858 118 R CB 1.391 31.682 30.300 -0.014 0.000 1.094 118 R HN 0.537 nan 8.270 nan 0.000 0.457 119 V N 1.441 121.215 119.914 -0.233 0.000 2.775 119 V HA 0.335 4.966 4.120 0.851 0.000 0.299 119 V C -2.225 173.879 176.094 0.016 0.000 1.062 119 V CA -2.185 60.087 62.300 -0.046 0.000 1.063 119 V CB 0.574 32.316 31.823 -0.136 0.000 0.994 119 V HN 0.536 nan 8.190 nan 0.000 0.483 120 P HA 0.432 nan 4.420 nan 0.000 0.269 120 P C -0.686 176.601 177.300 -0.022 0.000 1.209 120 P CA 0.114 63.227 63.100 0.022 0.000 0.776 120 P CB 0.514 32.231 31.700 0.028 0.000 0.876 121 L N 0.962 122.142 121.223 -0.071 0.000 2.303 121 L HA 0.759 5.610 4.340 0.851 0.000 0.256 121 L C 1.034 177.607 176.870 -0.496 0.000 1.034 121 L CA -0.582 54.149 54.840 -0.181 0.000 0.832 121 L CB 1.988 43.989 42.059 -0.097 0.000 1.403 121 L HN 0.624 nan 8.230 nan 0.000 0.419 122 G N 0.218 108.491 108.800 -0.879 0.000 2.198 122 G HA2 -0.132 4.339 3.960 0.851 0.000 0.156 122 G HA3 -0.132 4.339 3.960 0.851 0.000 0.156 122 G C 0.033 174.530 174.900 -0.672 0.000 1.012 122 G CA -0.678 43.529 45.100 -1.488 0.000 0.692 122 G HN 0.450 nan 8.290 nan 0.000 0.492 123 R N 0.238 120.527 120.500 -0.353 0.000 2.641 123 R HA 0.689 5.539 4.340 0.851 0.000 0.269 123 R C 0.548 176.788 176.300 -0.101 0.000 1.074 123 R CA 0.093 56.096 56.100 -0.160 0.000 1.133 123 R CB 0.625 30.887 30.300 -0.063 0.000 1.029 123 R HN 0.258 nan 8.270 nan 0.000 0.488 124 R N 0.288 120.760 120.500 -0.047 0.000 2.892 124 R HA 0.266 5.117 4.340 0.851 0.000 0.265 124 R C -1.005 175.307 176.300 0.020 0.000 1.025 124 R CA -0.997 55.102 56.100 -0.001 0.000 0.982 124 R CB 1.326 31.628 30.300 0.003 0.000 1.185 124 R HN 0.515 nan 8.270 nan 0.000 0.484 125 D N 0.921 121.342 120.400 0.035 0.000 2.255 125 D HA 0.083 5.234 4.640 0.851 0.000 0.249 125 D C 0.072 176.394 176.300 0.036 0.000 1.078 125 D CA -0.024 54.000 54.000 0.040 0.000 0.896 125 D CB 1.502 42.328 40.800 0.043 0.000 1.194 125 D HN 0.482 nan 8.370 nan 0.000 0.429 126 S N 1.087 116.813 115.700 0.042 0.000 2.584 126 S HA 0.122 5.103 4.470 0.851 0.000 0.270 126 S C 0.972 175.567 174.600 -0.008 0.000 1.346 126 S CA -0.443 57.782 58.200 0.041 0.000 1.018 126 S CB 0.617 63.871 63.200 0.090 0.000 0.899 126 S HN 0.447 nan 8.310 nan 0.000 0.542 127 L N 1.052 122.255 121.223 -0.034 0.000 2.667 127 L HA 0.300 5.151 4.340 0.851 0.000 0.232 127 L C 0.773 177.538 176.870 -0.174 0.000 1.138 127 L CA -0.200 54.610 54.840 -0.049 0.000 0.921 127 L CB -0.745 41.307 42.059 -0.011 0.000 1.180 127 L HN 0.850 nan 8.230 nan 0.000 0.487 128 Q N -1.040 118.512 119.800 -0.414 0.000 2.687 128 Q HA 0.732 5.582 4.340 0.851 0.000 0.295 128 Q C -1.702 173.540 176.000 -1.262 0.000 0.920 128 Q CA -0.916 54.259 55.803 -1.047 0.000 0.766 128 Q CB 2.039 30.230 28.738 -0.913 0.000 1.467 128 Q HN -0.080 nan 8.270 nan 0.000 0.415 129 A N 0.653 122.439 122.820 -1.723 0.000 2.330 129 A HA 0.845 5.675 4.320 0.851 0.000 0.329 129 A C -1.381 175.569 177.584 -1.056 0.000 1.135 129 A CA -0.704 50.737 52.037 -0.994 0.000 0.817 129 A CB 0.732 19.445 19.000 -0.478 0.000 1.269 129 A HN 0.531 nan 8.150 nan 0.000 0.469 130 F N 1.954 121.805 119.950 -0.164 0.000 2.550 130 F HA 0.267 5.303 4.527 0.848 0.000 0.348 130 F C 0.814 176.584 175.800 -0.050 0.000 1.219 130 F CA -0.484 57.458 58.000 -0.097 0.000 1.203 130 F CB 1.099 40.047 39.000 -0.086 0.000 1.436 130 F HN 0.494 nan 8.300 nan 0.000 0.541 131 L N 1.065 122.332 121.223 0.072 0.000 2.017 131 L HA -0.131 4.720 4.340 0.851 0.000 0.208 131 L C 1.843 178.750 176.870 0.061 0.000 1.073 131 L CA 2.142 57.010 54.840 0.047 0.000 0.745 131 L CB -0.366 41.701 42.059 0.014 0.000 0.894 131 L HN 0.347 nan 8.230 nan 0.000 0.432 132 D N -0.552 119.898 120.400 0.083 0.000 2.117 132 D HA -0.194 4.957 4.640 0.851 0.000 0.197 132 D C 2.215 178.574 176.300 0.098 0.000 0.987 132 D CA 1.427 55.482 54.000 0.092 0.000 0.829 132 D CB -0.164 40.691 40.800 0.092 0.000 0.961 132 D HN 0.310 nan 8.370 nan 0.000 0.460 133 L N 0.886 122.174 121.223 0.107 0.000 2.141 133 L HA -0.051 4.800 4.340 0.851 0.000 0.209 133 L C 2.150 179.048 176.870 0.047 0.000 1.094 133 L CA 1.351 56.228 54.840 0.063 0.000 0.763 133 L CB -0.602 41.470 42.059 0.022 0.000 0.908 133 L HN -0.061 nan 8.230 nan 0.000 0.437 134 A N -0.717 122.137 122.820 0.057 0.000 1.898 134 A HA -0.180 4.651 4.320 0.851 0.000 0.216 134 A C 2.059 179.664 177.584 0.036 0.000 1.181 134 A CA 1.650 53.695 52.037 0.014 0.000 0.620 134 A CB -0.644 18.358 19.000 0.005 0.000 0.819 134 A HN 0.546 nan 8.150 nan 0.000 0.442 135 N N 0.319 119.074 118.700 0.093 0.000 2.244 135 N HA -0.054 5.197 4.740 0.851 0.000 0.183 135 N C 1.723 177.352 175.510 0.197 0.000 1.016 135 N CA 1.417 54.592 53.050 0.207 0.000 0.866 135 N CB -0.375 38.284 38.487 0.288 0.000 0.980 135 N HN 0.492 nan 8.380 nan 0.000 0.430 136 A N 0.560 123.465 122.820 0.141 0.000 1.935 136 A HA 0.054 4.885 4.320 0.851 0.000 0.214 136 A C 1.877 179.542 177.584 0.134 0.000 1.178 136 A CA 0.858 52.977 52.037 0.136 0.000 0.640 136 A CB -0.068 18.991 19.000 0.099 0.000 0.825 136 A HN 0.156 nan 8.150 nan 0.000 0.447 137 N N -0.268 118.488 118.700 0.093 0.000 2.395 137 N HA 0.145 5.396 4.740 0.851 0.000 0.175 137 N C 0.169 175.766 175.510 0.146 0.000 1.029 137 N CA 0.225 53.339 53.050 0.107 0.000 0.897 137 N CB -0.203 38.308 38.487 0.040 0.000 0.991 137 N HN 0.378 nan 8.380 nan 0.000 0.441 138 L N 3.319 124.551 121.223 0.015 0.000 2.360 138 L HA 0.229 5.080 4.340 0.851 0.000 0.276 138 L C -1.787 175.017 176.870 -0.109 0.000 1.121 138 L CA -1.454 53.302 54.840 -0.139 0.000 0.845 138 L CB 0.404 42.241 42.059 -0.369 0.000 1.143 138 L HN -0.008 nan 8.230 nan 0.000 0.452 139 P HA 0.242 nan 4.420 nan 0.000 0.272 139 P C -1.049 175.756 177.300 -0.825 0.000 1.240 139 P CA -0.456 62.373 63.100 -0.451 0.000 0.791 139 P CB 1.286 32.972 31.700 -0.024 0.000 0.978 140 A N 1.739 123.526 122.820 -1.722 0.000 2.380 140 A HA 0.580 5.411 4.320 0.851 0.000 0.315 140 A C -1.748 175.273 177.584 -0.940 0.000 1.101 140 A CA -1.676 49.596 52.037 -1.275 0.000 0.771 140 A CB 0.870 18.839 19.000 -1.719 0.000 1.287 140 A HN 0.352 nan 8.150 nan 0.000 0.436 141 P HA -0.134 nan 4.420 nan 0.000 0.221 141 P C 0.738 178.061 177.300 0.037 0.000 1.145 141 P CA 1.304 64.318 63.100 -0.145 0.000 0.795 141 P CB -0.152 31.522 31.700 -0.044 0.000 0.775 142 F N -3.569 116.483 119.950 0.169 0.000 2.732 142 F HA 0.367 4.981 4.527 0.145 0.000 0.303 142 F C 0.620 176.644 175.800 0.373 0.000 1.110 142 F CA -1.562 56.595 58.000 0.261 0.000 1.355 142 F CB -1.274 37.857 39.000 0.219 0.000 1.081 142 F HN -0.364 nan 8.300 nan 0.000 0.565 143 F N 2.719 122.651 119.950 -0.030 0.000 2.506 143 F HA 0.248 5.300 4.527 0.874 0.000 0.351 143 F C 1.395 177.273 175.800 0.130 0.000 1.136 143 F CA -1.274 56.762 58.000 0.059 0.000 1.298 143 F CB 0.505 39.499 39.000 -0.010 0.000 1.145 143 F HN 0.086 nan 8.300 nan 0.000 0.593 144 T N 0.922 115.620 114.554 0.240 0.000 2.788 144 T HA 0.242 5.102 4.350 0.851 0.000 0.280 144 T C 1.140 175.928 174.700 0.146 0.000 0.984 144 T CA -0.790 61.411 62.100 0.170 0.000 0.972 144 T CB 0.828 69.753 68.868 0.095 0.000 1.039 144 T HN 0.465 nan 8.240 nan 0.000 0.530 145 L N 1.402 122.693 121.223 0.112 0.000 2.046 145 L HA 0.159 5.010 4.340 0.851 0.000 0.208 145 L C -0.892 176.016 176.870 0.062 0.000 1.077 145 L CA 1.583 56.474 54.840 0.085 0.000 0.747 145 L CB -1.708 40.387 42.059 0.060 0.000 0.896 145 L HN 0.525 nan 8.230 nan 0.000 0.432 146 P HA -0.178 nan 4.420 nan 0.000 0.216 146 P C 1.479 178.787 177.300 0.014 0.000 1.150 146 P CA 1.464 64.577 63.100 0.022 0.000 0.837 146 P CB -0.019 31.686 31.700 0.007 0.000 0.786 147 Q N -0.995 118.794 119.800 -0.019 0.000 2.119 147 Q HA -0.075 4.776 4.340 0.851 0.000 0.201 147 Q C 2.147 178.205 176.000 0.097 0.000 0.972 147 Q CA 1.035 56.760 55.803 -0.130 0.000 0.847 147 Q CB -0.589 27.864 28.738 -0.476 0.000 0.903 147 Q HN 0.290 nan 8.270 nan 0.000 0.433 148 L N 0.579 121.938 121.223 0.227 0.000 2.046 148 L HA -0.210 4.641 4.340 0.851 0.000 0.208 148 L C 2.274 179.284 176.870 0.232 0.000 1.077 148 L CA 1.305 56.334 54.840 0.315 0.000 0.747 148 L CB -0.312 41.850 42.059 0.171 0.000 0.896 148 L HN 0.133 nan 8.230 nan 0.000 0.432 149 K N -0.187 120.282 120.400 0.116 0.000 2.057 149 K HA -0.180 4.651 4.320 0.851 0.000 0.207 149 K C 1.740 178.443 176.600 0.172 0.000 1.049 149 K CA 1.533 57.880 56.287 0.100 0.000 0.931 149 K CB -0.193 32.337 32.500 0.050 0.000 0.714 149 K HN 0.233 nan 8.250 nan 0.000 0.440 150 D N 0.385 120.868 120.400 0.138 0.000 2.123 150 D HA -0.147 5.004 4.640 0.851 0.000 0.196 150 D C 2.114 178.529 176.300 0.191 0.000 0.992 150 D CA 1.743 55.814 54.000 0.119 0.000 0.833 150 D CB -0.318 40.513 40.800 0.050 0.000 0.954 150 D HN 0.200 nan 8.370 nan 0.000 0.455 151 S N -0.187 115.701 115.700 0.313 0.000 2.368 151 S HA -0.164 4.817 4.470 0.851 0.000 0.225 151 S C 2.065 176.906 174.600 0.401 0.000 1.030 151 S CA 0.673 59.119 58.200 0.410 0.000 0.999 151 S CB -0.734 62.841 63.200 0.625 0.000 0.844 151 S HN 0.087 nan 8.310 nan 0.000 0.459 152 F N 2.323 122.412 119.950 0.231 0.000 2.163 152 F HA 0.219 5.251 4.527 0.841 0.000 0.297 152 F C 2.762 178.556 175.800 -0.010 0.000 1.094 152 F CA 0.753 58.846 58.000 0.155 0.000 1.290 152 F CB -0.510 38.617 39.000 0.212 0.000 1.017 152 F HN 0.106 nan 8.300 nan 0.000 0.483 153 R N -0.143 120.481 120.500 0.207 0.000 2.096 153 R HA -0.207 4.643 4.340 0.851 0.000 0.235 153 R C 1.905 178.206 176.300 0.002 0.000 1.127 153 R CA 1.490 57.639 56.100 0.083 0.000 0.968 153 R CB -0.757 29.592 30.300 0.080 0.000 0.861 153 R HN 0.243 nan 8.270 nan 0.000 0.440 154 N N 0.717 119.420 118.700 0.005 0.000 2.205 154 N HA -0.142 5.109 4.740 0.851 0.000 0.186 154 N C 1.479 176.909 175.510 -0.133 0.000 1.015 154 N CA 1.532 54.557 53.050 -0.041 0.000 0.862 154 N CB 0.151 38.637 38.487 -0.001 0.000 0.986 154 N HN 0.180 nan 8.380 nan 0.000 0.429 155 V N -4.634 115.126 119.914 -0.256 0.000 3.647 155 V HA 0.552 5.183 4.120 0.851 0.000 0.279 155 V C 1.205 177.121 176.094 -0.296 0.000 1.314 155 V CA 0.509 62.581 62.300 -0.380 0.000 1.125 155 V CB -0.108 31.240 31.823 -0.792 0.000 0.907 155 V HN 0.309 nan 8.190 nan 0.000 0.434 156 G N 0.633 109.320 108.800 -0.189 0.000 2.192 156 G HA2 -0.149 4.322 3.960 0.851 0.000 0.193 156 G HA3 -0.149 4.322 3.960 0.851 0.000 0.193 156 G C -0.180 174.677 174.900 -0.072 0.000 0.999 156 G CA -0.054 44.975 45.100 -0.120 0.000 0.659 156 G HN 0.486 nan 8.290 nan 0.000 0.503 157 L N 1.608 122.801 121.223 -0.050 0.000 2.321 157 L HA 0.413 5.264 4.340 0.851 0.000 0.272 157 L C 0.974 177.920 176.870 0.127 0.000 1.050 157 L CA -0.935 53.943 54.840 0.064 0.000 0.893 157 L CB 0.901 43.050 42.059 0.150 0.000 1.272 157 L HN -0.040 nan 8.230 nan 0.000 0.435 158 N N 1.617 120.363 118.700 0.077 0.000 2.409 158 N HA 0.003 5.254 4.740 0.851 0.000 0.179 158 N C 0.462 176.019 175.510 0.077 0.000 1.032 158 N CA 0.597 53.690 53.050 0.072 0.000 0.898 158 N CB 0.209 38.720 38.487 0.039 0.000 0.971 158 N HN 0.473 nan 8.380 nan 0.000 0.441 159 R N 0.336 120.886 120.500 0.084 0.000 2.438 159 R HA 0.235 5.086 4.340 0.851 0.000 0.287 159 R C 1.077 177.420 176.300 0.072 0.000 1.077 159 R CA -0.132 56.010 56.100 0.071 0.000 1.034 159 R CB 0.701 31.042 30.300 0.068 0.000 0.993 159 R HN -0.046 nan 8.270 nan 0.000 0.459 160 S N 0.825 116.550 115.700 0.042 0.000 2.419 160 S HA -0.160 4.820 4.470 0.851 0.000 0.233 160 S C 1.839 176.466 174.600 0.045 0.000 1.016 160 S CA 1.381 59.592 58.200 0.018 0.000 0.974 160 S CB -0.037 63.163 63.200 -0.001 0.000 0.786 160 S HN 0.692 nan 8.310 nan 0.000 0.492 161 S N 1.297 117.045 115.700 0.080 0.000 2.402 161 S HA -0.138 4.843 4.470 0.851 0.000 0.229 161 S C 1.467 176.186 174.600 0.199 0.000 1.021 161 S CA 1.105 59.400 58.200 0.158 0.000 0.974 161 S CB -0.379 62.918 63.200 0.162 0.000 0.800 161 S HN 0.425 nan 8.310 nan 0.000 0.484 162 D N 1.174 121.668 120.400 0.157 0.000 2.084 162 D HA -0.097 5.054 4.640 0.851 0.000 0.194 162 D C 1.940 178.370 176.300 0.217 0.000 0.990 162 D CA 1.108 55.232 54.000 0.207 0.000 0.826 162 D CB -0.563 40.401 40.800 0.273 0.000 0.971 162 D HN 0.379 nan 8.370 nan 0.000 0.453 163 L N 0.884 122.116 121.223 0.014 0.000 2.017 163 L HA -0.142 4.709 4.340 0.851 0.000 0.208 163 L C 2.285 179.106 176.870 -0.081 0.000 1.073 163 L CA 1.402 56.010 54.840 -0.387 0.000 0.745 163 L CB -0.516 41.212 42.059 -0.552 0.000 0.894 163 L HN -0.135 nan 8.230 nan 0.000 0.432 164 V N 0.092 120.064 119.914 0.098 0.000 2.358 164 V HA -0.231 4.400 4.120 0.851 0.000 0.246 164 V C 2.781 179.209 176.094 0.556 0.000 1.047 164 V CA 1.566 64.041 62.300 0.292 0.000 1.035 164 V CB -1.420 30.534 31.823 0.218 0.000 0.658 164 V HN 0.602 nan 8.190 nan 0.000 0.452 165 A N -0.200 122.970 122.820 0.583 0.000 1.873 165 A HA -0.096 4.735 4.320 0.851 0.000 0.215 165 A C 2.193 180.117 177.584 0.566 0.000 1.186 165 A CA 1.575 53.985 52.037 0.622 0.000 0.616 165 A CB -0.523 18.696 19.000 0.364 0.000 0.823 165 A HN 0.487 nan 8.150 nan 0.000 0.442 166 L N -0.288 121.127 121.223 0.321 0.000 2.201 166 L HA -0.106 4.745 4.340 0.851 0.000 0.212 166 L C 2.541 179.436 176.870 0.041 0.000 1.105 166 L CA 1.102 56.072 54.840 0.216 0.000 0.775 166 L CB -0.292 41.864 42.059 0.161 0.000 0.913 166 L HN 0.279 nan 8.230 nan 0.000 0.440 167 S N 0.129 115.802 115.700 -0.046 0.000 2.469 167 S HA -0.091 4.890 4.470 0.851 0.000 0.238 167 S C 1.941 176.072 174.600 -0.782 0.000 0.998 167 S CA 0.931 58.904 58.200 -0.379 0.000 0.957 167 S CB -0.325 62.797 63.200 -0.130 0.000 0.764 167 S HN 0.617 nan 8.310 nan 0.000 0.514 168 G N 1.064 109.636 108.800 -0.381 0.000 2.625 168 G HA2 0.009 4.480 3.960 0.851 0.000 0.214 168 G HA3 0.009 4.480 3.960 0.851 0.000 0.214 168 G C 1.242 175.778 174.900 -0.606 0.000 1.132 168 G CA 0.568 45.275 45.100 -0.654 0.000 0.782 168 G HN 0.549 nan 8.290 nan 0.000 0.538 169 G N -0.451 108.144 108.800 -0.341 0.000 2.535 169 G HA2 -0.123 4.348 3.960 0.851 0.000 0.218 169 G HA3 -0.123 4.348 3.960 0.851 0.000 0.218 169 G C 1.084 175.892 174.900 -0.152 0.000 1.122 169 G CA 0.253 45.298 45.100 -0.092 0.000 0.769 169 G HN 0.681 nan 8.290 nan 0.000 0.549 170 H N -0.589 118.117 119.070 -0.606 0.000 2.592 170 H HA 0.140 5.204 4.556 0.848 0.000 0.291 170 H C 1.997 177.170 175.328 -0.258 0.000 1.052 170 H CA 0.215 55.897 56.048 -0.610 0.000 1.175 170 H CB 0.513 29.821 29.762 -0.757 0.000 1.378 170 H HN 0.245 nan 8.280 nan 0.000 0.576 171 T N 0.693 115.089 114.554 -0.263 0.000 3.113 171 T HA -0.012 4.849 4.350 0.851 0.000 0.256 171 T C -0.169 174.567 174.700 0.060 0.000 1.131 171 T CA 0.153 62.125 62.100 -0.212 0.000 1.074 171 T CB -0.067 68.431 68.868 -0.617 0.000 0.944 171 T HN 0.340 nan 8.240 nan 0.000 0.516 172 F N -1.592 118.352 119.950 -0.010 0.000 2.789 172 F HA 0.711 5.748 4.527 0.850 0.000 0.319 172 F C -0.009 175.877 175.800 0.142 0.000 1.168 172 F CA -1.776 56.276 58.000 0.086 0.000 0.934 172 F CB 0.790 39.847 39.000 0.096 0.000 1.375 172 F HN 0.136 nan 8.300 nan 0.000 0.480 173 G N 1.390 110.269 108.800 0.132 0.000 2.661 173 G HA2 0.214 4.684 3.960 0.851 0.000 0.685 173 G HA3 0.214 4.684 3.960 0.851 0.000 0.685 173 G C -1.704 173.354 174.900 0.263 0.000 1.298 173 G CA -0.782 44.351 45.100 0.055 0.000 0.855 173 G HN 0.780 nan 8.290 nan 0.000 0.560 174 K N -0.003 120.526 120.400 0.215 0.000 2.221 174 K HA 0.701 5.532 4.320 0.851 0.000 0.243 174 K C -0.197 176.471 176.600 0.114 0.000 0.968 174 K CA -0.991 55.375 56.287 0.133 0.000 0.846 174 K CB 2.086 34.623 32.500 0.061 0.000 1.141 174 K HN 0.812 nan 8.250 nan 0.000 0.434 175 N N 0.510 119.134 118.700 -0.126 0.000 2.287 175 N HA 0.099 5.349 4.740 0.851 0.000 0.289 175 N C -1.431 174.066 175.510 -0.022 0.000 1.066 175 N CA -0.374 52.579 53.050 -0.160 0.000 0.841 175 N CB 1.489 39.512 38.487 -0.773 0.000 1.599 175 N HN 0.301 nan 8.380 nan 0.000 0.476 176 Q N 1.767 121.654 119.800 0.145 0.000 2.327 176 Q HA 0.188 5.039 4.340 0.851 0.000 0.254 176 Q C 0.659 176.623 176.000 -0.060 0.000 0.952 176 Q CA -0.516 55.293 55.803 0.009 0.000 0.884 176 Q CB 1.031 29.716 28.738 -0.088 0.000 1.224 176 Q HN 0.749 nan 8.270 nan 0.000 0.422 177 c N 1.399 119.949 118.600 -0.083 0.000 2.403 177 c HA -0.197 4.884 4.570 0.851 0.000 0.277 177 c C 2.549 176.582 174.090 -0.096 0.000 1.248 177 c CA 0.847 57.135 56.329 -0.069 0.000 1.762 177 c CB -0.908 41.575 42.510 -0.046 0.000 2.014 177 c HN 0.942 nan 8.230 nan 0.000 0.486 178 R N 0.108 120.471 120.500 -0.228 0.000 2.140 178 R HA -0.209 4.642 4.340 0.851 0.000 0.250 178 R C 1.596 177.747 176.300 -0.248 0.000 1.150 178 R CA 2.050 57.955 56.100 -0.325 0.000 0.966 178 R CB -0.433 29.506 30.300 -0.601 0.000 0.869 178 R HN 0.510 nan 8.270 nan 0.000 0.445 179 F N 0.226 120.213 119.950 0.061 0.000 2.748 179 F HA 0.056 5.011 4.527 0.713 0.000 0.299 179 F C 1.768 177.618 175.800 0.084 0.000 1.154 179 F CA 0.408 58.463 58.000 0.091 0.000 1.446 179 F CB 0.051 39.096 39.000 0.075 0.000 1.112 179 F HN 0.150 nan 8.300 nan 0.000 0.584 180 I N -5.070 115.596 120.570 0.160 0.000 4.338 180 I HA 0.109 4.790 4.170 0.851 0.000 0.329 180 I C 1.556 177.713 176.117 0.066 0.000 1.378 180 I CA 0.020 61.378 61.300 0.097 0.000 1.170 180 I CB -0.067 37.930 38.000 -0.006 0.000 1.206 180 I HN -0.194 nan 8.210 nan 0.000 0.432 181 M N 2.657 122.316 119.600 0.097 0.000 2.144 181 M HA -0.174 4.816 4.480 0.851 0.000 0.260 181 M C 1.965 178.372 176.300 0.179 0.000 1.067 181 M CA 2.041 57.434 55.300 0.155 0.000 1.095 181 M CB -1.146 31.544 32.600 0.150 0.000 1.365 181 M HN 0.581 nan 8.290 nan 0.000 0.406 182 D N -0.009 120.500 120.400 0.181 0.000 2.117 182 D HA -0.190 4.961 4.640 0.851 0.000 0.198 182 D C 1.916 178.380 176.300 0.275 0.000 0.982 182 D CA 1.213 55.349 54.000 0.228 0.000 0.828 182 D CB -0.700 40.242 40.800 0.236 0.000 0.967 182 D HN 0.376 nan 8.370 nan 0.000 0.464 183 R N 0.105 120.734 120.500 0.215 0.000 2.120 183 R HA 0.036 4.887 4.340 0.851 0.000 0.234 183 R C 2.639 178.853 176.300 -0.142 0.000 1.123 183 R CA 0.828 56.926 56.100 -0.002 0.000 0.975 183 R CB -0.253 29.979 30.300 -0.114 0.000 0.866 183 R HN 0.309 nan 8.270 nan 0.000 0.446 184 L N -1.435 119.649 121.223 -0.232 0.000 2.209 184 L HA -0.047 4.803 4.340 0.851 0.000 0.207 184 L C 1.253 177.666 176.870 -0.762 0.000 1.094 184 L CA 1.118 55.603 54.840 -0.592 0.000 0.790 184 L CB -0.054 41.464 42.059 -0.903 0.000 0.932 184 L HN 0.170 nan 8.230 nan 0.000 0.447 185 Y N -2.401 117.921 120.300 0.037 0.000 2.494 185 Y HA 0.245 5.302 4.550 0.846 0.000 0.271 185 Y C 0.524 176.458 175.900 0.057 0.000 1.113 185 Y CA -0.766 57.355 58.100 0.035 0.000 1.240 185 Y CB 0.505 38.976 38.460 0.018 0.000 1.268 185 Y HN 0.046 nan 8.280 nan 0.000 0.510 186 N N 0.211 119.039 118.700 0.213 0.000 2.827 186 N HA 0.098 5.349 4.740 0.851 0.000 0.240 186 N C -2.018 173.604 175.510 0.186 0.000 1.352 186 N CA -0.294 52.856 53.050 0.167 0.000 0.760 186 N CB -0.058 38.503 38.487 0.123 0.000 1.426 186 N HN 0.005 nan 8.380 nan 0.000 0.561 187 F N 3.097 123.067 119.950 0.034 0.000 2.420 187 F HA 0.391 5.424 4.527 0.843 0.000 0.352 187 F C 1.296 177.115 175.800 0.032 0.000 1.108 187 F CA 0.050 58.070 58.000 0.034 0.000 1.162 187 F CB 1.036 40.052 39.000 0.027 0.000 1.118 187 F HN 0.523 nan 8.300 nan 0.000 0.510 188 S N 5.671 121.033 115.700 -0.563 0.000 3.549 188 S HA -0.299 4.682 4.470 0.851 0.000 0.366 188 S C 0.327 174.833 174.600 -0.157 0.000 1.012 188 S CA 0.955 58.907 58.200 -0.413 0.000 1.141 188 S CB -1.764 61.148 63.200 -0.479 0.000 0.910 188 S HN 0.993 nan 8.310 nan 0.000 0.471 189 N N -1.026 117.619 118.700 -0.092 0.000 2.735 189 N HA -0.190 5.060 4.740 0.851 0.000 0.248 189 N C 0.636 176.144 175.510 -0.004 0.000 1.083 189 N CA 1.499 54.527 53.050 -0.036 0.000 0.703 189 N CB -2.026 36.432 38.487 -0.047 0.000 1.005 189 N HN 0.968 nan 8.380 nan 0.000 0.550 190 T N -5.005 109.565 114.554 0.027 0.000 3.001 190 T HA 0.375 5.235 4.350 0.851 0.000 0.251 190 T C 1.461 176.195 174.700 0.057 0.000 1.040 190 T CA 1.069 63.197 62.100 0.047 0.000 0.985 190 T CB 0.777 69.693 68.868 0.079 0.000 1.011 190 T HN 0.623 nan 8.240 nan 0.000 0.509 191 G N 1.368 110.208 108.800 0.067 0.000 2.162 191 G HA2 -0.207 4.264 3.960 0.851 0.000 0.260 191 G HA3 -0.207 4.264 3.960 0.851 0.000 0.260 191 G C -0.116 174.837 174.900 0.088 0.000 0.976 191 G CA 0.547 45.690 45.100 0.072 0.000 0.655 191 G HN 0.643 nan 8.290 nan 0.000 0.533 192 L N 0.983 122.265 121.223 0.098 0.000 2.323 192 L HA 0.592 5.442 4.340 0.851 0.000 0.265 192 L C -1.895 175.037 176.870 0.103 0.000 1.012 192 L CA -2.676 52.217 54.840 0.089 0.000 0.820 192 L CB 2.354 44.456 42.059 0.073 0.000 1.334 192 L HN -0.127 nan 8.230 nan 0.000 0.427 193 P HA -0.010 nan 4.420 nan 0.000 0.274 193 P C -1.093 176.178 177.300 -0.049 0.000 1.246 193 P CA -0.316 62.768 63.100 -0.026 0.000 0.795 193 P CB 0.646 32.286 31.700 -0.100 0.000 1.006 194 D N 2.167 122.422 120.400 -0.242 0.000 2.412 194 D HA -0.003 5.148 4.640 0.851 0.000 0.257 194 D C -1.029 175.115 176.300 -0.260 0.000 1.217 194 D CA -1.827 51.841 54.000 -0.554 0.000 0.897 194 D CB 0.290 40.437 40.800 -1.089 0.000 1.132 194 D HN 0.198 nan 8.370 nan 0.000 0.493 195 P HA -0.124 nan 4.420 nan 0.000 0.225 195 P C 0.834 178.096 177.300 -0.063 0.000 1.148 195 P CA 0.948 64.012 63.100 -0.061 0.000 0.779 195 P CB -0.082 31.615 31.700 -0.005 0.000 0.780 196 T N -3.532 110.961 114.554 -0.102 0.000 3.169 196 T HA 0.178 5.039 4.350 0.851 0.000 0.250 196 T C 0.519 175.187 174.700 -0.054 0.000 1.111 196 T CA -0.401 61.667 62.100 -0.054 0.000 1.010 196 T CB -0.559 68.288 68.868 -0.035 0.000 0.984 196 T HN -0.089 nan 8.240 nan 0.000 0.537 197 L N 3.059 124.229 121.223 -0.089 0.000 2.272 197 L HA 0.440 5.290 4.340 0.851 0.000 0.289 197 L C -0.047 176.814 176.870 -0.015 0.000 1.032 197 L CA -0.965 53.842 54.840 -0.055 0.000 0.810 197 L CB 0.823 42.809 42.059 -0.122 0.000 1.205 197 L HN 0.162 nan 8.230 nan 0.000 0.422 198 N N 2.511 121.233 118.700 0.037 0.000 2.294 198 N HA -0.139 5.112 4.740 0.851 0.000 0.263 198 N C 0.935 176.469 175.510 0.040 0.000 1.281 198 N CA 0.952 54.026 53.050 0.039 0.000 0.846 198 N CB 1.047 39.563 38.487 0.047 0.000 1.061 198 N HN 0.890 nan 8.380 nan 0.000 0.478 199 T N 0.663 115.225 114.554 0.013 0.000 2.881 199 T HA -0.124 4.737 4.350 0.851 0.000 0.270 199 T C 1.668 176.377 174.700 0.016 0.000 1.068 199 T CA 1.677 63.778 62.100 0.001 0.000 1.131 199 T CB -0.309 68.557 68.868 -0.004 0.000 0.871 199 T HN 0.514 nan 8.240 nan 0.000 0.479 200 T N 0.592 115.168 114.554 0.037 0.000 2.812 200 T HA 0.010 4.870 4.350 0.851 0.000 0.264 200 T C 1.463 176.224 174.700 0.102 0.000 1.042 200 T CA 0.939 63.068 62.100 0.047 0.000 1.140 200 T CB -0.516 68.372 68.868 0.034 0.000 0.870 200 T HN 0.426 nan 8.240 nan 0.000 0.445 201 Y N 1.880 122.150 120.300 -0.050 0.000 2.293 201 Y HA 0.029 5.090 4.550 0.852 0.000 0.291 201 Y C 2.044 177.905 175.900 -0.065 0.000 1.137 201 Y CA 0.026 58.093 58.100 -0.056 0.000 1.202 201 Y CB -0.746 37.675 38.460 -0.064 0.000 0.990 201 Y HN 0.106 nan 8.280 nan 0.000 0.537 202 L N 0.384 121.581 121.223 -0.043 0.000 2.042 202 L HA -0.246 4.604 4.340 0.851 0.000 0.210 202 L C 2.068 178.851 176.870 -0.146 0.000 1.076 202 L CA 1.974 56.718 54.840 -0.160 0.000 0.749 202 L CB -0.916 41.074 42.059 -0.114 0.000 0.893 202 L HN 0.110 nan 8.230 nan 0.000 0.432 203 Q N -0.592 119.169 119.800 -0.065 0.000 2.084 203 Q HA -0.143 4.708 4.340 0.851 0.000 0.202 203 Q C 2.245 178.220 176.000 -0.041 0.000 0.978 203 Q CA 2.354 58.134 55.803 -0.038 0.000 0.844 203 Q CB -0.981 27.754 28.738 -0.005 0.000 0.898 203 Q HN 0.560 nan 8.270 nan 0.000 0.426 204 T N 0.879 115.415 114.554 -0.030 0.000 2.708 204 T HA -0.094 4.767 4.350 0.851 0.000 0.266 204 T C 1.806 176.448 174.700 -0.096 0.000 1.037 204 T CA 1.077 63.165 62.100 -0.020 0.000 1.146 204 T CB -0.297 68.618 68.868 0.077 0.000 0.865 204 T HN 0.170 nan 8.240 nan 0.000 0.435 205 L N 0.251 121.334 121.223 -0.234 0.000 2.083 205 L HA -0.044 4.807 4.340 0.851 0.000 0.209 205 L C 2.860 179.638 176.870 -0.153 0.000 1.083 205 L CA 1.243 55.920 54.840 -0.271 0.000 0.752 205 L CB -0.464 41.321 42.059 -0.457 0.000 0.899 205 L HN 0.154 nan 8.230 nan 0.000 0.433 206 R N -0.161 120.260 120.500 -0.130 0.000 2.115 206 R HA -0.088 4.762 4.340 0.851 0.000 0.230 206 R C 2.330 178.661 176.300 0.052 0.000 1.111 206 R CA 1.113 57.202 56.100 -0.018 0.000 0.976 206 R CB -0.485 29.808 30.300 -0.012 0.000 0.870 206 R HN 0.416 nan 8.270 nan 0.000 0.445 207 G N 0.459 109.263 108.800 0.006 0.000 2.421 207 G HA2 -0.155 4.316 3.960 0.851 0.000 0.217 207 G HA3 -0.155 4.316 3.960 0.851 0.000 0.217 207 G C 1.351 176.256 174.900 0.008 0.000 1.143 207 G CA 0.202 45.311 45.100 0.015 0.000 0.784 207 G HN 0.133 nan 8.290 nan 0.000 0.541 208 L N -0.374 120.843 121.223 -0.010 0.000 2.209 208 L HA 0.163 5.014 4.340 0.851 0.000 0.207 208 L C 0.544 177.412 176.870 -0.005 0.000 1.094 208 L CA 0.191 55.022 54.840 -0.014 0.000 0.790 208 L CB 0.263 42.300 42.059 -0.036 0.000 0.932 208 L HN 0.116 nan 8.230 nan 0.000 0.447 209 c N 1.093 119.701 118.600 0.013 0.000 3.169 209 c HA 0.342 5.423 4.570 0.851 0.000 0.232 209 c C -2.094 172.083 174.090 0.145 0.000 1.316 209 c CA -1.583 54.776 56.329 0.049 0.000 1.545 209 c CB -0.266 42.261 42.510 0.029 0.000 1.785 209 c HN 0.108 nan 8.230 nan 0.000 0.454 210 P HA 0.088 nan 4.420 nan 0.000 0.272 210 P C -0.169 177.088 177.300 -0.073 0.000 1.223 210 P CA -0.121 63.016 63.100 0.062 0.000 0.784 210 P CB 0.965 32.668 31.700 0.005 0.000 0.923 211 L N 3.177 124.173 121.223 -0.378 0.000 2.490 211 L HA 0.015 4.866 4.340 0.851 0.000 0.274 211 L C 0.942 177.674 176.870 -0.230 0.000 1.201 211 L CA 0.876 55.407 54.840 -0.516 0.000 0.869 211 L CB -1.327 40.249 42.059 -0.804 0.000 1.123 211 L HN 0.582 nan 8.230 nan 0.000 0.484 212 N N 1.137 119.742 118.700 -0.158 0.000 2.800 212 N HA -0.183 5.068 4.740 0.851 0.000 0.250 212 N C 0.487 175.957 175.510 -0.068 0.000 1.078 212 N CA 0.471 53.463 53.050 -0.096 0.000 0.804 212 N CB -1.232 37.198 38.487 -0.095 0.000 1.135 212 N HN 0.859 nan 8.380 nan 0.000 0.565 213 G N 0.496 109.260 108.800 -0.060 0.000 2.531 213 G HA2 0.225 4.696 3.960 0.851 0.000 0.281 213 G HA3 0.225 4.696 3.960 0.851 0.000 0.281 213 G C -0.234 174.647 174.900 -0.031 0.000 1.382 213 G CA -0.433 44.645 45.100 -0.037 0.000 1.045 213 G HN 0.290 nan 8.290 nan 0.000 0.533 214 N N 0.143 118.828 118.700 -0.024 0.000 2.406 214 N HA 0.043 5.293 4.740 0.851 0.000 0.265 214 N C 1.410 176.900 175.510 -0.034 0.000 1.203 214 N CA -0.420 52.614 53.050 -0.026 0.000 0.945 214 N CB 0.202 38.677 38.487 -0.019 0.000 1.165 214 N HN 0.320 nan 8.380 nan 0.000 0.485 215 L N 2.278 123.473 121.223 -0.046 0.000 2.362 215 L HA -0.080 4.771 4.340 0.851 0.000 0.219 215 L C 1.728 178.541 176.870 -0.095 0.000 1.134 215 L CA 0.622 55.418 54.840 -0.074 0.000 0.807 215 L CB -0.091 41.916 42.059 -0.087 0.000 0.927 215 L HN 0.534 nan 8.230 nan 0.000 0.447 216 S N -0.213 115.449 115.700 -0.063 0.000 2.593 216 S HA 0.229 5.210 4.470 0.851 0.000 0.217 216 S C 1.055 175.637 174.600 -0.031 0.000 0.966 216 S CA -0.070 58.100 58.200 -0.050 0.000 0.914 216 S CB -0.021 63.164 63.200 -0.025 0.000 0.776 216 S HN 0.359 nan 8.310 nan 0.000 0.523 217 A N 1.700 124.501 122.820 -0.031 0.000 2.531 217 A HA 0.405 5.235 4.320 0.851 0.000 0.236 217 A C -0.006 177.564 177.584 -0.023 0.000 1.062 217 A CA 0.125 52.150 52.037 -0.021 0.000 0.760 217 A CB -0.016 18.972 19.000 -0.020 0.000 0.995 217 A HN 0.464 nan 8.150 nan 0.000 0.501 218 L N 2.418 123.633 121.223 -0.013 0.000 2.322 218 L HA 0.607 5.457 4.340 0.851 0.000 0.279 218 L C -0.461 176.393 176.870 -0.027 0.000 1.036 218 L CA -0.740 54.092 54.840 -0.014 0.000 0.807 218 L CB 1.543 43.605 42.059 0.005 0.000 1.226 218 L HN 0.435 nan 8.230 nan 0.000 0.433 219 V N 0.569 120.449 119.914 -0.056 0.000 2.914 219 V HA 0.316 4.947 4.120 0.851 0.000 0.314 219 V C -0.679 175.367 176.094 -0.079 0.000 1.084 219 V CA -0.965 61.296 62.300 -0.066 0.000 0.963 219 V CB 2.438 34.200 31.823 -0.102 0.000 1.025 219 V HN 0.618 nan 8.190 nan 0.000 0.432 220 D N 1.630 122.023 120.400 -0.012 0.000 2.390 220 D HA 0.186 5.336 4.640 0.851 0.000 0.249 220 D C 0.554 176.881 176.300 0.046 0.000 1.144 220 D CA 0.102 54.131 54.000 0.048 0.000 0.880 220 D CB 1.261 42.117 40.800 0.092 0.000 1.182 220 D HN 0.409 nan 8.370 nan 0.000 0.451 221 F N 0.554 120.550 119.950 0.076 0.000 2.186 221 F HA -0.142 4.887 4.527 0.838 0.000 0.299 221 F C 1.352 177.226 175.800 0.124 0.000 1.090 221 F CA 0.941 58.991 58.000 0.083 0.000 1.307 221 F CB 0.249 39.290 39.000 0.068 0.000 1.019 221 F HN 0.200 nan 8.300 nan 0.000 0.489 222 D N 0.156 120.736 120.400 0.300 0.000 2.453 222 D HA 0.138 5.289 4.640 0.851 0.000 0.238 222 D C 0.934 177.291 176.300 0.095 0.000 1.088 222 D CA -0.240 53.864 54.000 0.173 0.000 0.854 222 D CB 0.832 41.724 40.800 0.153 0.000 1.076 222 D HN 0.240 nan 8.370 nan 0.000 0.533 223 L N 1.923 123.164 121.223 0.030 0.000 2.362 223 L HA 0.119 4.970 4.340 0.851 0.000 0.219 223 L C 1.678 178.531 176.870 -0.028 0.000 1.134 223 L CA 0.412 55.251 54.840 -0.002 0.000 0.807 223 L CB 0.096 42.090 42.059 -0.108 0.000 0.927 223 L HN 0.136 nan 8.230 nan 0.000 0.447 224 R N 0.903 121.378 120.500 -0.042 0.000 2.052 224 R HA 0.052 4.903 4.340 0.851 0.000 0.224 224 R C 0.457 176.757 176.300 0.000 0.000 1.149 224 R CA 1.517 57.594 56.100 -0.038 0.000 0.962 224 R CB -0.140 30.123 30.300 -0.061 0.000 0.856 224 R HN 0.542 nan 8.270 nan 0.000 0.433 225 T N -1.741 112.825 114.554 0.020 0.000 3.226 225 T HA 0.308 5.169 4.350 0.851 0.000 0.378 225 T C -2.488 172.265 174.700 0.089 0.000 1.380 225 T CA -1.869 60.260 62.100 0.047 0.000 1.396 225 T CB 1.684 70.576 68.868 0.040 0.000 1.044 225 T HN -0.160 nan 8.240 nan 0.000 0.586 226 P HA -0.153 nan 4.420 nan 0.000 0.217 226 P C 1.476 178.897 177.300 0.203 0.000 1.148 226 P CA 1.547 64.733 63.100 0.144 0.000 0.834 226 P CB 0.086 31.850 31.700 0.107 0.000 0.783 227 T N -6.109 108.560 114.554 0.192 0.000 3.043 227 T HA 0.287 5.148 4.350 0.851 0.000 0.272 227 T C 0.433 175.319 174.700 0.311 0.000 0.990 227 T CA -0.220 62.037 62.100 0.260 0.000 0.897 227 T CB -0.376 68.592 68.868 0.167 0.000 1.111 227 T HN -0.095 nan 8.240 nan 0.000 0.529 228 I N 1.936 122.632 120.570 0.209 0.000 2.359 228 I HA 0.421 5.102 4.170 0.851 0.000 0.294 228 I C -0.680 175.476 176.117 0.065 0.000 0.987 228 I CA -1.259 60.135 61.300 0.158 0.000 1.225 228 I CB 1.362 39.429 38.000 0.111 0.000 1.366 228 I HN 0.111 nan 8.210 nan 0.000 0.466 229 F N 7.665 127.539 119.950 -0.127 0.000 2.439 229 F HA 0.209 5.246 4.527 0.850 0.000 0.356 229 F C -0.061 175.748 175.800 0.014 0.000 1.161 229 F CA -0.108 57.701 58.000 -0.319 0.000 1.151 229 F CB -0.206 38.468 39.000 -0.542 0.000 1.222 229 F HN 0.558 nan 8.300 nan 0.000 0.558 230 D N 2.499 122.825 120.400 -0.124 0.000 2.812 230 D HA 0.141 5.292 4.640 0.851 0.000 0.318 230 D C -0.192 176.144 176.300 0.060 0.000 1.234 230 D CA -0.740 53.361 54.000 0.169 0.000 0.989 230 D CB 0.146 41.004 40.800 0.096 0.000 1.442 230 D HN 0.240 nan 8.370 nan 0.000 0.537 231 N N -0.360 118.390 118.700 0.083 0.000 2.370 231 N HA -0.055 5.196 4.740 0.851 0.000 0.198 231 N C 0.515 176.005 175.510 -0.033 0.000 1.156 231 N CA -0.080 52.945 53.050 -0.042 0.000 0.839 231 N CB 0.041 38.542 38.487 0.024 0.000 0.989 231 N HN 0.188 nan 8.380 nan 0.000 0.468 232 K N 0.484 120.847 120.400 -0.063 0.000 2.209 232 K HA -0.172 4.659 4.320 0.851 0.000 0.204 232 K C 1.362 177.891 176.600 -0.120 0.000 1.048 232 K CA 0.613 56.855 56.287 -0.074 0.000 0.940 232 K CB -0.762 31.703 32.500 -0.059 0.000 0.729 232 K HN 0.411 nan 8.250 nan 0.000 0.451 233 Y N 0.812 120.915 120.300 -0.330 0.000 2.151 233 Y HA -0.327 4.731 4.550 0.847 0.000 0.284 233 Y C 1.792 177.392 175.900 -0.501 0.000 1.166 233 Y CA 1.700 59.529 58.100 -0.451 0.000 1.163 233 Y CB -0.420 37.630 38.460 -0.684 0.000 0.974 233 Y HN 0.024 nan 8.280 nan 0.000 0.511 234 Y N -1.376 118.781 120.300 -0.239 0.000 2.337 234 Y HA -0.114 4.949 4.550 0.853 0.000 0.293 234 Y C 2.481 178.186 175.900 -0.327 0.000 1.123 234 Y CA 1.169 59.090 58.100 -0.298 0.000 1.201 234 Y CB -0.745 37.630 38.460 -0.142 0.000 1.011 234 Y HN -0.027 nan 8.280 nan 0.000 0.545 235 V N 0.537 120.369 119.914 -0.137 0.000 2.427 235 V HA -0.283 4.348 4.120 0.851 0.000 0.248 235 V C 1.841 177.776 176.094 -0.266 0.000 1.051 235 V CA 1.842 64.036 62.300 -0.176 0.000 1.048 235 V CB -0.539 31.208 31.823 -0.126 0.000 0.666 235 V HN 0.471 nan 8.190 nan 0.000 0.456 236 N N 0.609 119.127 118.700 -0.303 0.000 2.084 236 N HA -0.122 5.129 4.740 0.851 0.000 0.190 236 N C 1.831 177.114 175.510 -0.379 0.000 1.030 236 N CA 1.423 54.273 53.050 -0.333 0.000 0.849 236 N CB -0.528 37.758 38.487 -0.335 0.000 1.012 236 N HN 0.392 nan 8.380 nan 0.000 0.423 237 L N 1.352 122.289 121.223 -0.476 0.000 2.042 237 L HA -0.147 4.703 4.340 0.851 0.000 0.210 237 L C 2.010 178.451 176.870 -0.716 0.000 1.076 237 L CA 1.279 55.829 54.840 -0.484 0.000 0.749 237 L CB -0.557 41.223 42.059 -0.465 0.000 0.893 237 L HN 0.219 nan 8.230 nan 0.000 0.432 238 E N 0.256 119.947 120.200 -0.848 0.000 2.265 238 E HA -0.195 4.666 4.350 0.851 0.000 0.196 238 E C 1.192 177.481 176.600 -0.518 0.000 0.996 238 E CA 0.922 56.678 56.400 -1.074 0.000 0.832 238 E CB 0.004 29.340 29.700 -0.606 0.000 0.756 238 E HN 0.601 nan 8.360 nan 0.000 0.491 239 E N 0.374 120.367 120.200 -0.346 0.000 2.465 239 E HA 0.017 4.877 4.350 0.851 0.000 0.195 239 E C -0.368 176.149 176.600 -0.138 0.000 1.028 239 E CA -0.109 56.175 56.400 -0.193 0.000 0.899 239 E CB 0.586 30.176 29.700 -0.184 0.000 1.032 239 E HN 0.062 nan 8.360 nan 0.000 0.468 240 Q N -0.129 119.587 119.800 -0.139 0.000 2.494 240 Q HA -0.211 4.640 4.340 0.851 0.000 0.272 240 Q C -0.045 175.932 176.000 -0.038 0.000 1.145 240 Q CA 0.950 56.725 55.803 -0.047 0.000 0.943 240 Q CB -2.121 26.621 28.738 0.006 0.000 1.338 240 Q HN 0.374 nan 8.270 nan 0.000 0.492 241 K N -0.196 120.133 120.400 -0.119 0.000 2.514 241 K HA 0.282 5.113 4.320 0.851 0.000 0.207 241 K C 0.856 177.432 176.600 -0.040 0.000 1.035 241 K CA 0.356 56.573 56.287 -0.117 0.000 1.113 241 K CB 0.917 33.154 32.500 -0.438 0.000 0.846 241 K HN 0.263 nan 8.250 nan 0.000 0.491 242 G N 0.967 109.741 108.800 -0.044 0.000 2.441 242 G HA2 0.056 4.527 3.960 0.851 0.000 0.243 242 G HA3 0.056 4.527 3.960 0.851 0.000 0.243 242 G C 0.685 175.661 174.900 0.128 0.000 1.281 242 G CA -0.440 44.643 45.100 -0.028 0.000 0.854 242 G HN 0.131 nan 8.290 nan 0.000 0.560 243 L N 3.010 124.341 121.223 0.181 0.000 2.023 243 L HA 0.229 5.080 4.340 0.851 0.000 0.205 243 L C 1.549 178.449 176.870 0.050 0.000 1.073 243 L CA 1.254 56.160 54.840 0.110 0.000 0.745 243 L CB -0.449 41.611 42.059 0.002 0.000 0.900 243 L HN 0.652 nan 8.230 nan 0.000 0.435 244 I N -3.386 117.263 120.570 0.131 0.000 2.793 244 I HA 0.217 4.898 4.170 0.851 0.000 0.313 244 I C 1.273 177.484 176.117 0.157 0.000 0.998 244 I CA -0.594 60.790 61.300 0.139 0.000 1.140 244 I CB 0.957 39.067 38.000 0.184 0.000 1.327 244 I HN 0.273 nan 8.210 nan 0.000 0.491 245 Q N 2.281 122.184 119.800 0.173 0.000 2.077 245 Q HA -0.227 4.623 4.340 0.851 0.000 0.206 245 Q C 1.987 178.105 176.000 0.196 0.000 0.989 245 Q CA 3.236 59.154 55.803 0.192 0.000 0.853 245 Q CB -0.066 28.868 28.738 0.327 0.000 0.907 245 Q HN 0.961 nan 8.270 nan 0.000 0.418 246 S N -0.026 115.798 115.700 0.207 0.000 2.442 246 S HA -0.160 4.820 4.470 0.851 0.000 0.236 246 S C 1.214 175.937 174.600 0.206 0.000 1.007 246 S CA 1.244 59.562 58.200 0.197 0.000 0.965 246 S CB -0.180 63.122 63.200 0.171 0.000 0.773 246 S HN 0.400 nan 8.310 nan 0.000 0.504 247 D N 1.428 121.973 120.400 0.242 0.000 2.106 247 D HA -0.033 5.118 4.640 0.851 0.000 0.203 247 D C 2.139 178.514 176.300 0.126 0.000 0.977 247 D CA 1.218 55.372 54.000 0.256 0.000 0.844 247 D CB -0.610 40.370 40.800 0.299 0.000 1.002 247 D HN 0.361 nan 8.370 nan 0.000 0.461 248 Q N 0.903 120.763 119.800 0.099 0.000 2.226 248 Q HA -0.120 4.730 4.340 0.851 0.000 0.204 248 Q C 1.681 177.753 176.000 0.120 0.000 0.975 248 Q CA 1.071 56.920 55.803 0.078 0.000 0.866 248 Q CB -0.068 28.700 28.738 0.050 0.000 0.915 248 Q HN 0.207 nan 8.270 nan 0.000 0.440 249 E N -0.158 120.117 120.200 0.126 0.000 2.204 249 E HA -0.151 4.710 4.350 0.851 0.000 0.195 249 E C 1.835 178.499 176.600 0.108 0.000 0.990 249 E CA 0.801 57.273 56.400 0.120 0.000 0.821 249 E CB -0.122 29.660 29.700 0.137 0.000 0.750 249 E HN 0.461 nan 8.360 nan 0.000 0.477 250 L N -0.642 120.658 121.223 0.128 0.000 2.191 250 L HA -0.137 4.714 4.340 0.851 0.000 0.212 250 L C 2.178 179.145 176.870 0.162 0.000 1.103 250 L CA 0.914 55.831 54.840 0.129 0.000 0.769 250 L CB -0.241 41.915 42.059 0.163 0.000 0.908 250 L HN 0.061 nan 8.230 nan 0.000 0.438 251 F N -1.226 118.724 119.950 -0.000 0.000 2.680 251 F HA 0.092 5.128 4.527 0.848 0.000 0.290 251 F C 2.123 177.915 175.800 -0.014 0.000 1.114 251 F CA 0.369 58.359 58.000 -0.017 0.000 1.333 251 F CB 0.412 39.390 39.000 -0.036 0.000 1.091 251 F HN -0.183 nan 8.300 nan 0.000 0.606 252 S N -0.984 114.745 115.700 0.048 0.000 2.523 252 S HA 0.111 5.092 4.470 0.851 0.000 0.217 252 S C 0.696 175.282 174.600 -0.025 0.000 0.996 252 S CA 0.057 58.241 58.200 -0.027 0.000 0.921 252 S CB -0.061 63.179 63.200 0.067 0.000 0.829 252 S HN 0.212 nan 8.310 nan 0.000 0.495 253 S N 2.510 118.212 115.700 0.002 0.000 2.572 253 S HA 0.161 5.142 4.470 0.851 0.000 0.279 253 S C -1.902 172.688 174.600 -0.016 0.000 1.341 253 S CA -1.146 57.064 58.200 0.017 0.000 1.043 253 S CB 0.731 63.955 63.200 0.039 0.000 0.887 253 S HN -0.016 nan 8.310 nan 0.000 0.516 254 P HA -0.015 nan 4.420 nan 0.000 0.225 254 P C 0.680 177.969 177.300 -0.019 0.000 1.148 254 P CA 0.739 63.831 63.100 -0.014 0.000 0.779 254 P CB -0.002 31.699 31.700 0.002 0.000 0.780 255 N N -0.506 118.189 118.700 -0.008 0.000 2.268 255 N HA 0.088 5.339 4.740 0.851 0.000 0.204 255 N C 0.673 176.172 175.510 -0.018 0.000 1.124 255 N CA -0.065 52.980 53.050 -0.009 0.000 0.838 255 N CB 0.157 38.647 38.487 0.005 0.000 0.994 255 N HN -0.066 nan 8.380 nan 0.000 0.489 256 A N -0.167 122.632 122.820 -0.035 0.000 2.327 256 A HA 0.119 4.950 4.320 0.851 0.000 0.228 256 A C 1.640 179.182 177.584 -0.071 0.000 1.275 256 A CA 0.032 52.040 52.037 -0.049 0.000 0.875 256 A CB -0.364 18.596 19.000 -0.067 0.000 0.925 256 A HN 0.198 nan 8.150 nan 0.000 0.493 257 T N 1.340 115.857 114.554 -0.061 0.000 2.759 257 T HA -0.168 4.692 4.350 0.851 0.000 0.269 257 T C 1.662 176.327 174.700 -0.058 0.000 1.042 257 T CA 1.859 63.920 62.100 -0.064 0.000 1.140 257 T CB -0.258 68.581 68.868 -0.048 0.000 0.864 257 T HN 0.876 nan 8.240 nan 0.000 0.455 258 D N 0.891 121.264 120.400 -0.045 0.000 2.271 258 D HA -0.049 5.101 4.640 0.851 0.000 0.206 258 D C 2.064 178.333 176.300 -0.052 0.000 0.967 258 D CA 1.308 55.282 54.000 -0.042 0.000 0.867 258 D CB -0.774 40.010 40.800 -0.028 0.000 0.960 258 D HN 0.531 nan 8.370 nan 0.000 0.509 259 T N -1.265 113.262 114.554 -0.045 0.000 3.035 259 T HA 0.150 5.010 4.350 0.851 0.000 0.259 259 T C 2.347 177.024 174.700 -0.038 0.000 1.078 259 T CA -0.018 62.059 62.100 -0.039 0.000 1.132 259 T CB -0.474 68.393 68.868 -0.003 0.000 0.900 259 T HN 0.075 nan 8.240 nan 0.000 0.480 260 I N 2.707 123.248 120.570 -0.049 0.000 2.163 260 I HA -0.090 4.591 4.170 0.851 0.000 0.243 260 I C -0.202 175.904 176.117 -0.019 0.000 1.085 260 I CA 1.389 62.669 61.300 -0.033 0.000 1.347 260 I CB -0.992 36.899 38.000 -0.181 0.000 1.044 260 I HN 0.244 nan 8.210 nan 0.000 0.408 261 P HA -0.150 nan 4.420 nan 0.000 0.220 261 P C 1.911 179.100 177.300 -0.185 0.000 1.148 261 P CA 1.518 64.564 63.100 -0.090 0.000 0.803 261 P CB 0.013 31.665 31.700 -0.081 0.000 0.782 262 L N -0.834 120.230 121.223 -0.265 0.000 2.072 262 L HA -0.095 4.756 4.340 0.851 0.000 0.205 262 L C 2.778 179.177 176.870 -0.785 0.000 1.079 262 L CA 1.025 55.505 54.840 -0.600 0.000 0.752 262 L CB -1.024 40.724 42.059 -0.518 0.000 0.906 262 L HN -0.186 nan 8.230 nan 0.000 0.436 263 V N -0.009 119.713 119.914 -0.320 0.000 2.287 263 V HA -0.307 4.324 4.120 0.851 0.000 0.248 263 V C 2.639 178.657 176.094 -0.127 0.000 1.053 263 V CA 1.827 64.063 62.300 -0.106 0.000 1.027 263 V CB -0.602 31.334 31.823 0.190 0.000 0.646 263 V HN 0.406 nan 8.190 nan 0.000 0.447 264 R N 0.644 121.104 120.500 -0.066 0.000 2.081 264 R HA -0.148 4.703 4.340 0.851 0.000 0.235 264 R C 2.636 178.887 176.300 -0.081 0.000 1.131 264 R CA 1.758 57.836 56.100 -0.036 0.000 0.960 264 R CB -0.593 29.718 30.300 0.018 0.000 0.856 264 R HN 0.711 nan 8.270 nan 0.000 0.436 265 S N 0.366 115.973 115.700 -0.155 0.000 2.382 265 S HA -0.114 4.867 4.470 0.851 0.000 0.228 265 S C 1.751 176.396 174.600 0.075 0.000 1.027 265 S CA 0.976 59.131 58.200 -0.075 0.000 0.991 265 S CB -0.342 62.788 63.200 -0.118 0.000 0.823 265 S HN 0.138 nan 8.310 nan 0.000 0.469 266 F N 2.257 122.066 119.950 -0.235 0.000 2.367 266 F HA 0.433 5.469 4.527 0.849 0.000 0.298 266 F C 2.755 178.376 175.800 -0.298 0.000 1.094 266 F CA -0.463 57.308 58.000 -0.382 0.000 1.409 266 F CB -1.376 36.987 39.000 -1.062 0.000 1.064 266 F HN 0.361 nan 8.300 nan 0.000 0.528 267 A N 0.143 122.951 122.820 -0.020 0.000 1.970 267 A HA -0.120 4.710 4.320 0.851 0.000 0.216 267 A C 1.983 179.564 177.584 -0.006 0.000 1.170 267 A CA 1.310 53.355 52.037 0.013 0.000 0.645 267 A CB -0.902 18.095 19.000 -0.005 0.000 0.816 267 A HN 0.420 nan 8.150 nan 0.000 0.447 268 N N -0.947 117.751 118.700 -0.003 0.000 2.354 268 N HA 0.002 5.253 4.740 0.851 0.000 0.179 268 N C 0.196 175.705 175.510 -0.002 0.000 1.021 268 N CA 0.752 53.799 53.050 -0.005 0.000 0.887 268 N CB 0.141 38.625 38.487 -0.004 0.000 0.974 268 N HN 0.307 nan 8.380 nan 0.000 0.437 269 S N -0.868 114.842 115.700 0.016 0.000 2.677 269 S HA 0.222 5.202 4.470 0.851 0.000 0.283 269 S C 0.563 175.152 174.600 -0.019 0.000 1.159 269 S CA -0.729 57.470 58.200 -0.002 0.000 1.001 269 S CB 1.514 64.724 63.200 0.015 0.000 1.032 269 S HN -0.041 nan 8.310 nan 0.000 0.487 270 T N 3.801 118.290 114.554 -0.109 0.000 2.746 270 T HA -0.142 4.719 4.350 0.851 0.000 0.267 270 T C 1.795 176.294 174.700 -0.334 0.000 1.039 270 T CA 1.746 63.681 62.100 -0.276 0.000 1.142 270 T CB -0.286 68.318 68.868 -0.441 0.000 0.866 270 T HN 0.766 nan 8.240 nan 0.000 0.444 271 Q N 0.273 119.955 119.800 -0.198 0.000 2.096 271 Q HA -0.152 4.698 4.340 0.851 0.000 0.204 271 Q C 2.232 178.213 176.000 -0.031 0.000 0.982 271 Q CA 1.717 57.458 55.803 -0.102 0.000 0.850 271 Q CB -0.229 28.479 28.738 -0.051 0.000 0.901 271 Q HN 0.445 nan 8.270 nan 0.000 0.422 272 T N 0.813 115.370 114.554 0.005 0.000 2.746 272 T HA -0.155 4.706 4.350 0.851 0.000 0.267 272 T C 1.283 175.965 174.700 -0.030 0.000 1.039 272 T CA 1.314 63.451 62.100 0.063 0.000 1.142 272 T CB -0.450 68.518 68.868 0.166 0.000 0.866 272 T HN 0.366 nan 8.240 nan 0.000 0.444 273 F N 1.729 121.520 119.950 -0.264 0.000 2.075 273 F HA -0.014 5.023 4.527 0.850 0.000 0.297 273 F C 1.780 177.487 175.800 -0.154 0.000 1.113 273 F CA 0.701 58.349 58.000 -0.586 0.000 1.218 273 F CB -0.845 37.951 39.000 -0.340 0.000 0.984 273 F HN 0.046 nan 8.300 nan 0.000 0.472 274 F N 1.483 121.119 119.950 -0.523 0.000 2.120 274 F HA -0.240 4.798 4.527 0.851 0.000 0.300 274 F C 2.400 177.968 175.800 -0.386 0.000 1.095 274 F CA 1.454 59.142 58.000 -0.519 0.000 1.249 274 F CB -1.635 37.218 39.000 -0.246 0.000 0.995 274 F HN 0.094 nan 8.300 nan 0.000 0.480 275 N N 0.179 118.833 118.700 -0.076 0.000 2.120 275 N HA -0.125 5.126 4.740 0.851 0.000 0.188 275 N C 2.061 177.462 175.510 -0.182 0.000 1.024 275 N CA 1.468 54.446 53.050 -0.120 0.000 0.852 275 N CB -0.720 37.734 38.487 -0.054 0.000 1.003 275 N HN 0.245 nan 8.380 nan 0.000 0.424 276 A N 0.256 122.959 122.820 -0.196 0.000 1.930 276 A HA -0.083 4.748 4.320 0.851 0.000 0.217 276 A C 2.077 179.544 177.584 -0.194 0.000 1.175 276 A CA 0.718 52.658 52.037 -0.162 0.000 0.627 276 A CB -0.795 18.081 19.000 -0.207 0.000 0.815 276 A HN 0.263 nan 8.150 nan 0.000 0.443 277 F N 0.556 120.227 119.950 -0.465 0.000 2.146 277 F HA -0.123 4.913 4.527 0.848 0.000 0.298 277 F C 2.243 177.741 175.800 -0.503 0.000 1.096 277 F CA 1.806 59.541 58.000 -0.442 0.000 1.275 277 F CB -0.223 38.372 39.000 -0.674 0.000 1.008 277 F HN 0.029 nan 8.300 nan 0.000 0.480 278 V N 0.280 119.803 119.914 -0.651 0.000 2.343 278 V HA -0.301 4.330 4.120 0.851 0.000 0.247 278 V C 2.368 178.055 176.094 -0.678 0.000 1.051 278 V CA 2.247 63.904 62.300 -1.072 0.000 1.036 278 V CB -0.722 30.452 31.823 -1.080 0.000 0.654 278 V HN 0.401 nan 8.190 nan 0.000 0.451 279 E N 0.183 120.137 120.200 -0.409 0.000 2.051 279 E HA -0.230 4.631 4.350 0.851 0.000 0.192 279 E C 2.222 178.705 176.600 -0.195 0.000 0.991 279 E CA 1.462 57.720 56.400 -0.237 0.000 0.799 279 E CB -0.242 29.376 29.700 -0.137 0.000 0.748 279 E HN 0.566 nan 8.360 nan 0.000 0.449 280 A N 0.673 123.365 122.820 -0.214 0.000 1.930 280 A HA -0.139 4.691 4.320 0.851 0.000 0.217 280 A C 2.163 179.630 177.584 -0.195 0.000 1.175 280 A CA 1.209 53.161 52.037 -0.142 0.000 0.627 280 A CB -0.334 18.616 19.000 -0.084 0.000 0.815 280 A HN 0.269 nan 8.150 nan 0.000 0.443 281 M N 0.005 119.368 119.600 -0.396 0.000 2.117 281 M HA -0.137 4.854 4.480 0.851 0.000 0.262 281 M C 1.306 177.584 176.300 -0.038 0.000 1.065 281 M CA 1.513 56.644 55.300 -0.282 0.000 1.114 281 M CB -1.289 31.054 32.600 -0.428 0.000 1.361 281 M HN 0.334 nan 8.290 nan 0.000 0.408 282 D N -0.463 119.898 120.400 -0.064 0.000 2.178 282 D HA -0.081 5.070 4.640 0.851 0.000 0.202 282 D C 2.165 178.475 176.300 0.016 0.000 0.974 282 D CA 0.890 54.912 54.000 0.038 0.000 0.841 282 D CB -0.159 40.651 40.800 0.017 0.000 0.953 282 D HN 0.326 nan 8.370 nan 0.000 0.478 283 R N -0.085 120.402 120.500 -0.021 0.000 2.075 283 R HA 0.015 4.865 4.340 0.851 0.000 0.232 283 R C 2.326 178.625 176.300 -0.003 0.000 1.126 283 R CA 0.802 56.896 56.100 -0.010 0.000 0.963 283 R CB -0.216 30.078 30.300 -0.009 0.000 0.858 283 R HN 0.187 nan 8.270 nan 0.000 0.435 284 M N -0.110 119.495 119.600 0.009 0.000 2.175 284 M HA -0.053 4.937 4.480 0.851 0.000 0.264 284 M C 1.804 178.113 176.300 0.015 0.000 1.063 284 M CA 1.991 57.300 55.300 0.016 0.000 1.119 284 M CB -0.106 32.531 32.600 0.061 0.000 1.377 284 M HN 0.240 nan 8.290 nan 0.000 0.415 285 G N -0.116 108.731 108.800 0.079 0.000 2.679 285 G HA2 -0.196 4.275 3.960 0.851 0.000 0.212 285 G HA3 -0.196 4.275 3.960 0.851 0.000 0.212 285 G C 1.028 175.963 174.900 0.059 0.000 1.137 285 G CA 0.568 45.746 45.100 0.131 0.000 0.787 285 G HN 0.676 nan 8.290 nan 0.000 0.534 286 N N -0.186 118.524 118.700 0.018 0.000 2.230 286 N HA 0.172 5.423 4.740 0.851 0.000 0.202 286 N C 0.034 175.523 175.510 -0.035 0.000 1.119 286 N CA -0.376 52.669 53.050 -0.008 0.000 0.851 286 N CB 0.119 38.601 38.487 -0.008 0.000 0.990 286 N HN 0.144 nan 8.380 nan 0.000 0.497 287 I N 2.237 122.776 120.570 -0.051 0.000 2.505 287 I HA -0.064 4.617 4.170 0.851 0.000 0.287 287 I C 0.617 176.683 176.117 -0.085 0.000 1.104 287 I CA -0.011 61.236 61.300 -0.089 0.000 1.387 287 I CB 0.631 38.548 38.000 -0.137 0.000 1.404 287 I HN 0.225 nan 8.210 nan 0.000 0.528 288 T N 4.568 119.070 114.554 -0.086 0.000 3.213 288 T HA -0.125 4.736 4.350 0.851 0.000 0.427 288 T C -1.996 172.663 174.700 -0.068 0.000 0.772 288 T CA -0.713 61.338 62.100 -0.082 0.000 2.150 288 T CB -1.814 66.989 68.868 -0.108 0.000 1.655 288 T HN 0.469 nan 8.240 nan 0.000 0.584 289 P HA 0.492 nan 4.420 nan 0.000 0.277 289 P C 0.246 177.520 177.300 -0.043 0.000 1.240 289 P CA -0.896 62.176 63.100 -0.046 0.000 0.798 289 P CB 1.016 32.686 31.700 -0.050 0.000 0.979 290 L N 2.297 123.500 121.223 -0.034 0.000 2.292 290 L HA 0.436 5.287 4.340 0.851 0.000 0.284 290 L C 1.188 178.033 176.870 -0.042 0.000 1.065 290 L CA 0.006 54.831 54.840 -0.025 0.000 0.806 290 L CB 1.210 43.265 42.059 -0.006 0.000 1.175 290 L HN 0.564 nan 8.230 nan 0.000 0.431 291 T N -1.038 113.494 114.554 -0.038 0.000 2.804 291 T HA 0.766 5.627 4.350 0.851 0.000 0.290 291 T C 0.496 175.187 174.700 -0.014 0.000 1.099 291 T CA -0.049 62.020 62.100 -0.052 0.000 1.011 291 T CB 1.815 70.645 68.868 -0.063 0.000 1.291 291 T HN 0.860 nan 8.240 nan 0.000 0.523 292 G N 1.300 110.103 108.800 0.005 0.000 2.620 292 G HA2 -0.356 4.115 3.960 0.851 0.000 0.315 292 G HA3 -0.356 4.115 3.960 0.851 0.000 0.315 292 G C 0.988 175.916 174.900 0.048 0.000 1.179 292 G CA 1.893 47.017 45.100 0.041 0.000 0.971 292 G HN 2.091 nan 8.290 nan 0.000 0.544 293 T N -0.916 113.659 114.554 0.035 0.000 3.054 293 T HA 0.481 5.341 4.350 0.851 0.000 0.255 293 T C 0.821 175.537 174.700 0.027 0.000 1.035 293 T CA 0.984 63.105 62.100 0.035 0.000 0.941 293 T CB 0.299 69.186 68.868 0.031 0.000 1.026 293 T HN 0.735 nan 8.240 nan 0.000 0.533 294 Q N 1.438 121.250 119.800 0.020 0.000 2.352 294 Q HA 0.498 5.348 4.340 0.851 0.000 0.260 294 Q C 1.151 177.163 176.000 0.020 0.000 0.976 294 Q CA 0.411 56.224 55.803 0.016 0.000 0.881 294 Q CB 0.701 29.444 28.738 0.007 0.000 1.235 294 Q HN 0.582 nan 8.270 nan 0.000 0.419 295 G N 1.536 110.349 108.800 0.023 0.000 2.601 295 G HA2 -0.287 4.183 3.960 0.851 0.000 0.261 295 G HA3 -0.287 4.183 3.960 0.851 0.000 0.261 295 G C -0.643 174.276 174.900 0.032 0.000 1.289 295 G CA 0.192 45.308 45.100 0.027 0.000 0.920 295 G HN 0.767 nan 8.290 nan 0.000 0.571 296 Q N -2.034 117.787 119.800 0.036 0.000 2.693 296 Q HA 0.727 5.578 4.340 0.851 0.000 0.306 296 Q C -0.981 175.050 176.000 0.051 0.000 0.969 296 Q CA -1.218 54.611 55.803 0.043 0.000 0.757 296 Q CB 1.618 30.379 28.738 0.038 0.000 1.494 296 Q HN 0.578 nan 8.270 nan 0.000 0.459 297 I N 1.955 122.560 120.570 0.058 0.000 2.310 297 I HA 0.309 4.989 4.170 0.851 0.000 0.287 297 I C 0.063 176.209 176.117 0.048 0.000 1.073 297 I CA -0.294 61.045 61.300 0.066 0.000 1.216 297 I CB 0.460 38.510 38.000 0.083 0.000 1.415 297 I HN 0.618 nan 8.210 nan 0.000 0.480 298 R N 4.864 125.391 120.500 0.044 0.000 2.522 298 R HA 0.135 4.986 4.340 0.851 0.000 0.284 298 R C 0.877 177.195 176.300 0.030 0.000 1.032 298 R CA -0.017 56.105 56.100 0.037 0.000 1.049 298 R CB 0.824 31.148 30.300 0.039 0.000 0.956 298 R HN 0.584 nan 8.270 nan 0.000 0.422 299 L N 2.229 123.467 121.223 0.025 0.000 2.162 299 L HA 0.026 4.877 4.340 0.851 0.000 0.205 299 L C 0.830 177.710 176.870 0.016 0.000 1.086 299 L CA 0.510 55.360 54.840 0.017 0.000 0.778 299 L CB -0.213 41.855 42.059 0.015 0.000 0.928 299 L HN 0.561 nan 8.230 nan 0.000 0.446 300 N N -0.737 117.974 118.700 0.019 0.000 2.483 300 N HA 0.119 5.370 4.740 0.851 0.000 0.267 300 N C 0.440 175.967 175.510 0.028 0.000 0.998 300 N CA -0.442 52.620 53.050 0.019 0.000 0.918 300 N CB 1.481 39.977 38.487 0.014 0.000 1.215 300 N HN -0.023 nan 8.380 nan 0.000 0.500 301 c N 2.528 121.149 118.600 0.034 0.000 2.409 301 c HA -0.013 5.068 4.570 0.851 0.000 0.288 301 c C 2.115 176.231 174.090 0.043 0.000 1.395 301 c CA 0.492 56.848 56.329 0.046 0.000 1.792 301 c CB -0.912 41.636 42.510 0.062 0.000 1.847 301 c HN 0.691 nan 8.230 nan 0.000 0.534 302 R N 0.301 120.818 120.500 0.029 0.000 2.240 302 R HA 0.108 4.959 4.340 0.851 0.000 0.203 302 R C 0.509 176.823 176.300 0.024 0.000 1.011 302 R CA 0.647 56.754 56.100 0.011 0.000 1.007 302 R CB 0.069 30.363 30.300 -0.010 0.000 0.911 302 R HN 0.565 nan 8.270 nan 0.000 0.468 303 V N -3.395 116.538 119.914 0.032 0.000 3.007 303 V HA 0.462 5.093 4.120 0.851 0.000 0.311 303 V C 0.008 176.133 176.094 0.051 0.000 1.120 303 V CA -1.298 61.026 62.300 0.042 0.000 0.980 303 V CB 2.137 33.967 31.823 0.013 0.000 1.033 303 V HN -0.297 nan 8.190 nan 0.000 0.429 304 V N 2.923 122.880 119.914 0.072 0.000 2.811 304 V HA 0.239 4.869 4.120 0.851 0.000 0.302 304 V C 0.675 176.793 176.094 0.040 0.000 1.063 304 V CA -0.294 62.043 62.300 0.062 0.000 1.088 304 V CB 0.607 32.481 31.823 0.086 0.000 0.982 304 V HN 1.000 nan 8.190 nan 0.000 0.485 305 N N 2.309 121.029 118.700 0.034 0.000 2.441 305 N HA 0.207 5.458 4.740 0.851 0.000 0.251 305 N C 0.073 175.595 175.510 0.021 0.000 1.242 305 N CA 0.087 53.152 53.050 0.025 0.000 0.898 305 N CB 0.873 39.375 38.487 0.025 0.000 1.100 305 N HN 0.945 nan 8.380 nan 0.000 0.443 306 S N 0.000 115.709 115.700 0.015 0.000 2.498 306 S HA 0.000 4.981 4.470 0.851 0.000 0.327 306 S CA 0.000 58.206 58.200 0.011 0.000 1.107 306 S CB 0.000 63.203 63.200 0.004 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517