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 1kzm_1_A DATA FIRST_RESID 1 DATA SEQUENCE QLTPTFYDNS cPNVSNIVRD TIVNELRSDP RIAASILSLH FEDcFVNGcD 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 0.000 175.981 176.000 -0.032 0.000 1.003 1 Q CA 0.000 55.791 55.803 -0.020 0.000 1.022 1 Q CB 0.000 28.730 28.738 -0.013 0.000 1.108 2 L N 2.021 123.211 121.223 -0.055 0.000 2.485 2 L HA 0.415 5.278 4.340 0.871 0.000 0.275 2 L C 0.213 177.064 176.870 -0.032 0.000 1.207 2 L CA 0.661 55.449 54.840 -0.087 0.000 0.855 2 L CB 1.014 43.023 42.059 -0.084 0.000 1.114 2 L HN 0.225 nan 8.230 nan 0.000 0.485 3 T N 2.426 116.970 114.554 -0.017 0.000 2.893 3 T HA 0.418 5.291 4.350 0.871 0.000 0.293 3 T C -2.182 172.546 174.700 0.047 0.000 1.027 3 T CA -1.764 60.357 62.100 0.035 0.000 0.988 3 T CB 2.053 70.964 68.868 0.073 0.000 1.043 3 T HN 0.240 nan 8.240 nan 0.000 0.461 4 P HA 0.018 nan 4.420 nan 0.000 0.223 4 P C 1.221 178.557 177.300 0.061 0.000 1.151 4 P CA 0.919 64.049 63.100 0.050 0.000 0.787 4 P CB 0.038 31.767 31.700 0.048 0.000 0.788 5 T N -5.481 109.106 114.554 0.055 0.000 3.107 5 T HA 0.055 4.928 4.350 0.871 0.000 0.249 5 T C 1.410 176.120 174.700 0.017 0.000 1.096 5 T CA -0.299 61.823 62.100 0.037 0.000 1.012 5 T CB -1.299 67.578 68.868 0.014 0.000 0.977 5 T HN -0.124 nan 8.240 nan 0.000 0.527 6 F N 2.114 121.973 119.950 -0.152 0.000 2.141 6 F HA -0.177 4.873 4.527 0.873 0.000 0.300 6 F C 1.059 176.639 175.800 -0.367 0.000 1.079 6 F CA 1.390 59.200 58.000 -0.316 0.000 1.264 6 F CB -0.245 38.443 39.000 -0.521 0.000 1.011 6 F HN 0.266 nan 8.300 nan 0.000 0.487 7 Y N -0.742 119.583 120.300 0.041 0.000 2.507 7 Y HA 0.145 5.217 4.550 0.871 0.000 0.254 7 Y C 1.505 177.374 175.900 -0.052 0.000 1.171 7 Y CA -0.435 57.643 58.100 -0.037 0.000 1.238 7 Y CB -0.682 37.812 38.460 0.057 0.000 1.148 7 Y HN -0.047 nan 8.280 nan 0.000 0.525 8 D N -0.114 120.318 120.400 0.054 0.000 2.309 8 D HA -0.141 5.021 4.640 0.871 0.000 0.212 8 D C 1.365 177.666 176.300 0.002 0.000 0.968 8 D CA 1.122 55.139 54.000 0.028 0.000 0.882 8 D CB 0.138 40.942 40.800 0.007 0.000 0.918 8 D HN 0.341 nan 8.370 nan 0.000 0.503 9 N N -1.020 117.666 118.700 -0.024 0.000 2.545 9 N HA -0.030 5.233 4.740 0.871 0.000 0.190 9 N C 1.732 177.232 175.510 -0.016 0.000 1.043 9 N CA 0.772 53.803 53.050 -0.032 0.000 0.879 9 N CB 0.022 38.470 38.487 -0.065 0.000 1.210 9 N HN 0.116 nan 8.380 nan 0.000 0.437 10 S N -0.969 114.728 115.700 -0.005 0.000 2.414 10 S HA 0.051 5.044 4.470 0.871 0.000 0.227 10 S C 1.229 175.856 174.600 0.045 0.000 1.022 10 S CA 0.146 58.362 58.200 0.027 0.000 0.958 10 S CB -0.042 63.189 63.200 0.052 0.000 0.797 10 S HN 0.288 nan 8.310 nan 0.000 0.493 11 c N 2.871 121.513 118.600 0.070 0.000 3.253 11 c HA 0.441 5.534 4.570 0.871 0.000 0.230 11 c C -1.941 172.163 174.090 0.023 0.000 1.124 11 c CA -1.267 55.067 56.329 0.008 0.000 1.143 11 c CB 0.838 43.293 42.510 -0.092 0.000 1.794 11 c HN 0.354 nan 8.230 nan 0.000 0.617 12 P HA -0.110 nan 4.420 nan 0.000 0.220 12 P C 0.705 178.006 177.300 0.003 0.000 1.144 12 P CA 1.547 64.660 63.100 0.021 0.000 0.800 12 P CB 0.128 31.833 31.700 0.009 0.000 0.772 13 N N -0.600 118.091 118.700 -0.015 0.000 2.230 13 N HA 0.001 5.264 4.740 0.871 0.000 0.202 13 N C 1.603 177.086 175.510 -0.045 0.000 1.119 13 N CA -0.053 52.980 53.050 -0.027 0.000 0.851 13 N CB 0.074 38.545 38.487 -0.027 0.000 0.990 13 N HN 0.012 nan 8.380 nan 0.000 0.497 14 V N 1.659 121.536 119.914 -0.060 0.000 2.282 14 V HA -0.296 4.347 4.120 0.871 0.000 0.249 14 V C 2.430 178.475 176.094 -0.081 0.000 1.057 14 V CA 2.781 65.022 62.300 -0.098 0.000 1.032 14 V CB -0.641 31.076 31.823 -0.177 0.000 0.645 14 V HN 0.442 nan 8.190 nan 0.000 0.447 15 S N 0.189 115.851 115.700 -0.063 0.000 2.382 15 S HA -0.227 4.766 4.470 0.871 0.000 0.228 15 S C 1.791 176.349 174.600 -0.070 0.000 1.027 15 S CA 1.693 59.848 58.200 -0.075 0.000 0.991 15 S CB -0.874 62.281 63.200 -0.075 0.000 0.823 15 S HN 0.742 nan 8.310 nan 0.000 0.469 16 N N 1.864 120.531 118.700 -0.054 0.000 2.216 16 N HA 0.113 5.376 4.740 0.871 0.000 0.183 16 N C 1.822 177.305 175.510 -0.045 0.000 1.017 16 N CA 1.402 54.425 53.050 -0.046 0.000 0.861 16 N CB -0.436 38.030 38.487 -0.035 0.000 0.986 16 N HN 0.475 nan 8.380 nan 0.000 0.428 17 I N 0.742 121.283 120.570 -0.048 0.000 2.226 17 I HA -0.205 4.487 4.170 0.871 0.000 0.245 17 I C 2.173 178.261 176.117 -0.048 0.000 1.100 17 I CA 0.752 62.025 61.300 -0.046 0.000 1.374 17 I CB -0.246 37.723 38.000 -0.051 0.000 1.057 17 I HN -0.112 nan 8.210 nan 0.000 0.413 18 V N 0.934 120.812 119.914 -0.060 0.000 2.261 18 V HA -0.310 4.333 4.120 0.871 0.000 0.246 18 V C 2.661 178.722 176.094 -0.056 0.000 1.047 18 V CA 2.157 64.420 62.300 -0.062 0.000 1.015 18 V CB -0.780 30.995 31.823 -0.080 0.000 0.642 18 V HN 0.430 nan 8.190 nan 0.000 0.446 19 R N 0.009 120.473 120.500 -0.061 0.000 2.091 19 R HA -0.230 4.633 4.340 0.871 0.000 0.238 19 R C 2.011 178.289 176.300 -0.036 0.000 1.136 19 R CA 2.350 58.418 56.100 -0.053 0.000 0.959 19 R CB -0.438 29.828 30.300 -0.057 0.000 0.856 19 R HN 0.505 nan 8.270 nan 0.000 0.437 20 D N -0.623 119.757 120.400 -0.033 0.000 2.123 20 D HA -0.116 5.047 4.640 0.871 0.000 0.196 20 D C 1.700 177.988 176.300 -0.020 0.000 0.992 20 D CA 1.825 55.811 54.000 -0.024 0.000 0.833 20 D CB -0.219 40.568 40.800 -0.023 0.000 0.954 20 D HN 0.266 nan 8.370 nan 0.000 0.455 21 T N 0.204 114.744 114.554 -0.024 0.000 2.777 21 T HA -0.055 4.818 4.350 0.871 0.000 0.266 21 T C 2.117 176.806 174.700 -0.017 0.000 1.040 21 T CA 0.598 62.686 62.100 -0.020 0.000 1.141 21 T CB -0.128 68.726 68.868 -0.023 0.000 0.868 21 T HN 0.168 nan 8.240 nan 0.000 0.444 22 I N 0.714 121.271 120.570 -0.021 0.000 2.252 22 I HA -0.116 4.577 4.170 0.871 0.000 0.245 22 I C 2.452 178.564 176.117 -0.008 0.000 1.102 22 I CA 0.762 62.052 61.300 -0.016 0.000 1.385 22 I CB -0.448 37.539 38.000 -0.021 0.000 1.064 22 I HN 0.070 nan 8.210 nan 0.000 0.414 23 V N 1.317 121.226 119.914 -0.008 0.000 2.332 23 V HA -0.314 4.329 4.120 0.871 0.000 0.248 23 V C 2.241 178.335 176.094 0.000 0.000 1.055 23 V CA 2.421 64.720 62.300 -0.002 0.000 1.038 23 V CB -0.959 30.861 31.823 -0.004 0.000 0.651 23 V HN 0.491 nan 8.190 nan 0.000 0.450 24 N N 0.241 118.939 118.700 -0.003 0.000 2.142 24 N HA -0.202 5.061 4.740 0.871 0.000 0.186 24 N C 1.802 177.312 175.510 0.000 0.000 1.023 24 N CA 1.567 54.616 53.050 -0.001 0.000 0.852 24 N CB -0.181 38.304 38.487 -0.004 0.000 0.998 24 N HN 0.446 nan 8.380 nan 0.000 0.424 25 E N 0.297 120.496 120.200 -0.002 0.000 2.150 25 E HA -0.035 4.838 4.350 0.871 0.000 0.193 25 E C 1.843 178.444 176.600 0.001 0.000 0.985 25 E CA 0.854 57.253 56.400 -0.002 0.000 0.814 25 E CB -0.371 29.325 29.700 -0.007 0.000 0.752 25 E HN 0.464 nan 8.360 nan 0.000 0.466 26 L N -0.064 121.162 121.223 0.004 0.000 2.265 26 L HA -0.105 4.758 4.340 0.871 0.000 0.215 26 L C 2.417 179.295 176.870 0.013 0.000 1.117 26 L CA 0.946 55.792 54.840 0.011 0.000 0.782 26 L CB -0.247 41.824 42.059 0.019 0.000 0.914 26 L HN 0.089 nan 8.230 nan 0.000 0.441 27 R N -0.343 120.163 120.500 0.010 0.000 2.127 27 R HA -0.144 4.719 4.340 0.871 0.000 0.238 27 R C 2.288 178.594 176.300 0.010 0.000 1.134 27 R CA 1.742 57.848 56.100 0.010 0.000 0.975 27 R CB -0.219 30.086 30.300 0.008 0.000 0.865 27 R HN 0.476 nan 8.270 nan 0.000 0.447 28 S N -1.521 114.184 115.700 0.008 0.000 2.524 28 S HA 0.045 5.037 4.470 0.871 0.000 0.222 28 S C 0.152 174.756 174.600 0.007 0.000 1.040 28 S CA -0.403 57.802 58.200 0.008 0.000 0.915 28 S CB 0.682 63.886 63.200 0.006 0.000 0.831 28 S HN 0.039 nan 8.310 nan 0.000 0.492 29 D N 2.374 122.777 120.400 0.005 0.000 2.375 29 D HA 0.365 5.528 4.640 0.871 0.000 0.259 29 D C -2.197 174.105 176.300 0.002 0.000 1.235 29 D CA -2.124 51.877 54.000 0.002 0.000 0.924 29 D CB 1.993 42.790 40.800 -0.005 0.000 1.143 29 D HN 0.008 nan 8.370 nan 0.000 0.529 30 P HA -0.087 nan 4.420 nan 0.000 0.234 30 P C 1.077 178.380 177.300 0.005 0.000 1.167 30 P CA 0.319 63.431 63.100 0.019 0.000 0.763 30 P CB 0.437 32.154 31.700 0.029 0.000 0.835 31 R N -0.518 119.972 120.500 -0.017 0.000 2.280 31 R HA 0.085 4.948 4.340 0.871 0.000 0.195 31 R C 2.032 178.278 176.300 -0.091 0.000 0.935 31 R CA -0.131 55.935 56.100 -0.056 0.000 1.033 31 R CB -0.478 29.797 30.300 -0.040 0.000 0.964 31 R HN -0.022 nan 8.270 nan 0.000 0.489 32 I N 1.318 121.853 120.570 -0.057 0.000 2.264 32 I HA -0.213 4.479 4.170 0.871 0.000 0.248 32 I C 2.012 178.085 176.117 -0.073 0.000 1.111 32 I CA 1.545 62.808 61.300 -0.061 0.000 1.382 32 I CB -0.233 37.746 38.000 -0.035 0.000 1.060 32 I HN 0.230 nan 8.210 nan 0.000 0.418 33 A N 0.321 123.110 122.820 -0.052 0.000 1.908 33 A HA -0.144 4.699 4.320 0.871 0.000 0.218 33 A C 2.504 180.011 177.584 -0.128 0.000 1.181 33 A CA 1.989 54.025 52.037 -0.002 0.000 0.627 33 A CB -1.312 17.771 19.000 0.139 0.000 0.818 33 A HN 0.529 nan 8.150 nan 0.000 0.445 34 A N -0.668 121.857 122.820 -0.491 0.000 1.898 34 A HA -0.033 4.809 4.320 0.871 0.000 0.216 34 A C 2.428 179.833 177.584 -0.297 0.000 1.181 34 A CA 1.967 53.478 52.037 -0.876 0.000 0.620 34 A CB -0.819 17.551 19.000 -1.050 0.000 0.819 34 A HN 0.457 nan 8.150 nan 0.000 0.442 35 S N -0.030 115.557 115.700 -0.188 0.000 2.368 35 S HA -0.113 4.880 4.470 0.871 0.000 0.225 35 S C 1.783 176.337 174.600 -0.077 0.000 1.030 35 S CA 1.488 59.623 58.200 -0.109 0.000 0.999 35 S CB -0.481 62.650 63.200 -0.115 0.000 0.844 35 S HN 0.552 nan 8.310 nan 0.000 0.459 36 I N 0.940 121.474 120.570 -0.059 0.000 2.252 36 I HA -0.159 4.534 4.170 0.871 0.000 0.245 36 I C 2.311 178.470 176.117 0.070 0.000 1.102 36 I CA 0.744 62.034 61.300 -0.017 0.000 1.385 36 I CB -0.320 37.671 38.000 -0.014 0.000 1.064 36 I HN 0.238 nan 8.210 nan 0.000 0.414 37 L N 0.267 121.562 121.223 0.120 0.000 2.046 37 L HA -0.220 4.643 4.340 0.871 0.000 0.208 37 L C 2.631 179.651 176.870 0.250 0.000 1.077 37 L CA 1.952 56.937 54.840 0.242 0.000 0.747 37 L CB -0.721 41.562 42.059 0.372 0.000 0.896 37 L HN 0.128 nan 8.230 nan 0.000 0.432 38 S N -1.006 114.797 115.700 0.172 0.000 2.383 38 S HA -0.161 4.831 4.470 0.871 0.000 0.229 38 S C 2.029 176.748 174.600 0.199 0.000 1.030 38 S CA 1.533 59.858 58.200 0.209 0.000 1.002 38 S CB -0.388 62.892 63.200 0.132 0.000 0.829 38 S HN 0.506 nan 8.310 nan 0.000 0.467 39 L N 0.299 121.585 121.223 0.105 0.000 2.083 39 L HA -0.102 4.761 4.340 0.871 0.000 0.209 39 L C 2.565 179.519 176.870 0.141 0.000 1.083 39 L CA 1.798 56.681 54.840 0.071 0.000 0.752 39 L CB -0.685 41.362 42.059 -0.019 0.000 0.899 39 L HN 0.456 nan 8.230 nan 0.000 0.433 40 H N -0.117 119.010 119.070 0.094 0.000 2.357 40 H HA -0.249 4.831 4.556 0.873 0.000 0.301 40 H C 1.928 177.343 175.328 0.146 0.000 1.082 40 H CA 1.765 57.877 56.048 0.107 0.000 1.342 40 H CB -0.214 29.617 29.762 0.114 0.000 1.389 40 H HN 0.281 nan 8.280 nan 0.000 0.511 41 F N 1.705 121.630 119.950 -0.042 0.000 2.102 41 F HA -0.107 4.934 4.527 0.857 0.000 0.298 41 F C 2.017 177.761 175.800 -0.094 0.000 1.105 41 F CA 1.958 59.884 58.000 -0.125 0.000 1.239 41 F CB -0.505 38.423 39.000 -0.119 0.000 0.991 41 F HN 0.274 nan 8.300 nan 0.000 0.474 42 E N -0.350 119.582 120.200 -0.446 0.000 2.204 42 E HA -0.225 4.648 4.350 0.871 0.000 0.195 42 E C 1.696 178.164 176.600 -0.221 0.000 0.990 42 E CA 1.180 57.290 56.400 -0.483 0.000 0.821 42 E CB -0.305 29.281 29.700 -0.190 0.000 0.750 42 E HN 0.493 nan 8.360 nan 0.000 0.477 43 D N 0.273 120.607 120.400 -0.110 0.000 2.091 43 D HA -0.095 5.067 4.640 0.871 0.000 0.199 43 D C 1.802 178.054 176.300 -0.080 0.000 0.980 43 D CA 0.843 54.819 54.000 -0.040 0.000 0.831 43 D CB -0.293 40.528 40.800 0.033 0.000 0.987 43 D HN 0.124 nan 8.370 nan 0.000 0.460 44 c N -0.096 118.422 118.600 -0.136 0.000 2.419 44 c HA -0.049 5.043 4.570 0.871 0.000 0.281 44 c C 2.335 176.364 174.090 -0.103 0.000 1.336 44 c CA 0.100 56.354 56.329 -0.125 0.000 1.770 44 c CB -1.566 40.840 42.510 -0.174 0.000 1.929 44 c HN 0.273 nan 8.230 nan 0.000 0.509 45 F N 0.362 120.113 119.950 -0.331 0.000 2.811 45 F HA 0.150 5.203 4.527 0.876 0.000 0.301 45 F C 0.779 176.432 175.800 -0.244 0.000 1.151 45 F CA 0.690 58.495 58.000 -0.324 0.000 1.412 45 F CB 0.093 38.796 39.000 -0.496 0.000 1.113 45 F HN -0.056 nan 8.300 nan 0.000 0.579 46 V N 0.404 120.262 119.914 -0.093 0.000 2.357 46 V HA 0.228 4.871 4.120 0.871 0.000 0.281 46 V C 0.141 176.129 176.094 -0.177 0.000 1.015 46 V CA -0.956 61.281 62.300 -0.106 0.000 0.827 46 V CB 0.902 32.714 31.823 -0.017 0.000 1.018 46 V HN 0.297 nan 8.190 nan 0.000 0.432 47 N N 3.579 122.094 118.700 -0.307 0.000 2.741 47 N HA -0.155 5.108 4.740 0.871 0.000 0.251 47 N C 0.404 175.775 175.510 -0.233 0.000 1.112 47 N CA 1.921 54.727 53.050 -0.406 0.000 0.750 47 N CB -0.774 37.247 38.487 -0.777 0.000 1.119 47 N HN 1.799 nan 8.380 nan 0.000 0.561 48 G N -1.814 106.872 108.800 -0.191 0.000 2.796 48 G HA2 -0.252 4.231 3.960 0.871 0.000 0.571 48 G HA3 -0.252 4.231 3.960 0.871 0.000 0.571 48 G C 0.052 174.899 174.900 -0.087 0.000 1.370 48 G CA -0.377 44.637 45.100 -0.143 0.000 0.856 48 G HN 0.907 nan 8.290 nan 0.000 0.538 49 c N 1.221 119.784 118.600 -0.061 0.000 2.305 49 c HA 0.491 5.584 4.570 0.871 0.000 0.378 49 c C 0.880 174.981 174.090 0.017 0.000 1.047 49 c CA 0.155 56.478 56.329 -0.010 0.000 1.385 49 c CB -1.198 41.334 42.510 0.037 0.000 1.825 49 c HN 0.796 nan 8.230 nan 0.000 0.508 50 D N 0.623 121.038 120.400 0.026 0.000 2.563 50 D HA 0.262 5.425 4.640 0.871 0.000 0.237 50 D C 1.044 177.378 176.300 0.058 0.000 1.282 50 D CA 0.211 54.234 54.000 0.039 0.000 0.816 50 D CB -0.270 40.555 40.800 0.042 0.000 1.066 50 D HN 0.622 nan 8.370 nan 0.000 0.501 51 A N 0.751 123.613 122.820 0.070 0.000 2.826 51 A HA -0.279 4.564 4.320 0.871 0.000 0.274 51 A C 1.846 179.470 177.584 0.067 0.000 1.443 51 A CA 1.359 53.444 52.037 0.079 0.000 0.833 51 A CB -2.572 16.471 19.000 0.071 0.000 1.023 51 A HN 0.765 nan 8.150 nan 0.000 0.600 52 S N -0.731 115.012 115.700 0.072 0.000 2.423 52 S HA -0.043 4.949 4.470 0.871 0.000 0.231 52 S C 1.701 176.321 174.600 0.034 0.000 1.014 52 S CA 1.115 59.345 58.200 0.049 0.000 0.965 52 S CB -0.470 62.831 63.200 0.168 0.000 0.785 52 S HN 1.197 nan 8.310 nan 0.000 0.495 53 I N 0.923 121.537 120.570 0.073 0.000 2.614 53 I HA -0.010 4.683 4.170 0.871 0.000 0.258 53 I C 1.612 177.785 176.117 0.093 0.000 1.189 53 I CA 0.947 62.302 61.300 0.092 0.000 1.462 53 I CB -0.052 38.029 38.000 0.136 0.000 1.092 53 I HN 0.314 nan 8.210 nan 0.000 0.442 54 L N 0.511 121.790 121.223 0.093 0.000 2.418 54 L HA 0.051 4.914 4.340 0.871 0.000 0.218 54 L C 0.783 177.629 176.870 -0.040 0.000 1.125 54 L CA 0.028 54.905 54.840 0.062 0.000 0.835 54 L CB -0.325 41.806 42.059 0.119 0.000 0.953 54 L HN 0.124 nan 8.230 nan 0.000 0.454 55 L N 0.648 121.863 121.223 -0.013 0.000 2.416 55 L HA 0.081 4.944 4.340 0.871 0.000 0.272 55 L C 0.071 176.937 176.870 -0.008 0.000 1.161 55 L CA -0.081 54.771 54.840 0.020 0.000 0.845 55 L CB 0.349 42.462 42.059 0.090 0.000 1.119 55 L HN 0.038 nan 8.230 nan 0.000 0.464 56 D N 1.563 121.947 120.400 -0.027 0.000 2.423 56 D HA 0.157 5.320 4.640 0.871 0.000 0.255 56 D C 0.122 176.390 176.300 -0.053 0.000 1.174 56 D CA -0.457 53.499 54.000 -0.073 0.000 1.008 56 D CB 0.583 41.323 40.800 -0.099 0.000 1.101 56 D HN 0.374 nan 8.370 nan 0.000 0.516 57 N N -0.096 118.545 118.700 -0.098 0.000 2.374 57 N HA 0.058 5.321 4.740 0.871 0.000 0.241 57 N C 0.055 175.389 175.510 -0.294 0.000 1.262 57 N CA 0.643 53.596 53.050 -0.161 0.000 0.880 57 N CB 0.497 38.909 38.487 -0.125 0.000 1.105 57 N HN 0.433 nan 8.380 nan 0.000 0.438 58 T N -3.843 110.420 114.554 -0.486 0.000 2.864 58 T HA 0.267 5.140 4.350 0.871 0.000 0.299 58 T C 1.078 175.537 174.700 -0.402 0.000 1.166 58 T CA -0.600 61.190 62.100 -0.517 0.000 1.007 58 T CB 0.991 69.348 68.868 -0.852 0.000 1.219 58 T HN 0.440 nan 8.240 nan 0.000 0.506 59 T N -1.026 113.365 114.554 -0.273 0.000 3.051 59 T HA -0.035 4.838 4.350 0.871 0.000 0.269 59 T C 1.853 176.454 174.700 -0.166 0.000 1.127 59 T CA 1.294 63.287 62.100 -0.178 0.000 1.107 59 T CB -0.669 68.127 68.868 -0.120 0.000 0.898 59 T HN 0.835 nan 8.240 nan 0.000 0.517 60 S N 0.594 116.149 115.700 -0.242 0.000 2.492 60 S HA 0.357 5.350 4.470 0.871 0.000 0.218 60 S C 0.239 174.827 174.600 -0.020 0.000 1.016 60 S CA -0.789 57.340 58.200 -0.120 0.000 0.916 60 S CB -0.491 62.670 63.200 -0.065 0.000 0.791 60 S HN 0.732 nan 8.310 nan 0.000 0.513 61 F N -0.179 119.725 119.950 -0.077 0.000 2.641 61 F HA 0.798 5.847 4.527 0.869 0.000 0.308 61 F C -0.821 174.923 175.800 -0.094 0.000 1.105 61 F CA -1.597 56.346 58.000 -0.095 0.000 0.964 61 F CB 0.817 39.729 39.000 -0.146 0.000 1.294 61 F HN -0.314 nan 8.300 nan 0.000 0.442 62 R N 1.098 121.719 120.500 0.201 0.000 2.500 62 R HA 0.405 5.268 4.340 0.871 0.000 0.275 62 R C -0.054 176.347 176.300 0.168 0.000 1.051 62 R CA -0.650 55.510 56.100 0.100 0.000 1.088 62 R CB 1.385 31.704 30.300 0.032 0.000 1.063 62 R HN 0.942 nan 8.270 nan 0.000 0.511 63 T N 0.146 114.746 114.554 0.077 0.000 2.913 63 T HA 0.048 4.921 4.350 0.871 0.000 0.297 63 T C 1.012 175.713 174.700 0.003 0.000 1.029 63 T CA -0.166 61.963 62.100 0.049 0.000 1.104 63 T CB 0.487 69.340 68.868 -0.024 0.000 0.964 63 T HN 0.484 nan 8.240 nan 0.000 0.532 64 E N 1.805 122.002 120.200 -0.004 0.000 2.418 64 E HA -0.035 4.838 4.350 0.871 0.000 0.197 64 E C 1.831 178.431 176.600 0.001 0.000 1.026 64 E CA 0.557 56.958 56.400 0.003 0.000 0.862 64 E CB 0.159 29.875 29.700 0.026 0.000 0.799 64 E HN 0.636 nan 8.360 nan 0.000 0.518 65 K N 0.683 121.071 120.400 -0.020 0.000 2.442 65 K HA -0.106 4.737 4.320 0.871 0.000 0.198 65 K C 0.582 177.182 176.600 -0.002 0.000 1.044 65 K CA 0.752 57.037 56.287 -0.003 0.000 0.948 65 K CB 0.154 32.586 32.500 -0.114 0.000 0.762 65 K HN 0.017 nan 8.250 nan 0.000 0.472 66 D N 0.432 120.809 120.400 -0.039 0.000 2.340 66 D HA 0.090 5.253 4.640 0.871 0.000 0.217 66 D C -0.104 176.102 176.300 -0.156 0.000 1.081 66 D CA 0.058 54.013 54.000 -0.074 0.000 0.842 66 D CB 0.225 40.976 40.800 -0.082 0.000 0.934 66 D HN 0.135 nan 8.370 nan 0.000 0.511 67 A N -0.179 122.574 122.820 -0.111 0.000 2.407 67 A HA 0.193 5.036 4.320 0.871 0.000 0.248 67 A C 0.751 178.272 177.584 -0.104 0.000 1.082 67 A CA -0.337 51.606 52.037 -0.158 0.000 0.785 67 A CB 0.096 19.077 19.000 -0.031 0.000 1.020 67 A HN 0.014 nan 8.150 nan 0.000 0.489 68 F N 1.843 121.850 119.950 0.095 0.000 2.192 68 F HA -0.113 4.966 4.527 0.920 0.000 0.301 68 F C 2.379 178.248 175.800 0.115 0.000 1.079 68 F CA 2.033 60.106 58.000 0.123 0.000 1.303 68 F CB -0.651 38.435 39.000 0.143 0.000 1.024 68 F HN 0.632 nan 8.300 nan 0.000 0.494 69 G N -1.167 107.763 108.800 0.216 0.000 2.623 69 G HA2 -0.107 4.376 3.960 0.871 0.000 0.214 69 G HA3 -0.107 4.376 3.960 0.871 0.000 0.214 69 G C 1.482 176.441 174.900 0.098 0.000 1.138 69 G CA 0.384 45.548 45.100 0.107 0.000 0.794 69 G HN 0.266 nan 8.290 nan 0.000 0.535 70 N N 0.573 119.335 118.700 0.104 0.000 2.463 70 N HA 0.137 5.400 4.740 0.871 0.000 0.183 70 N C 1.183 176.779 175.510 0.143 0.000 1.064 70 N CA 0.318 53.439 53.050 0.119 0.000 0.879 70 N CB 0.095 38.649 38.487 0.112 0.000 1.148 70 N HN 0.192 nan 8.380 nan 0.000 0.451 71 A N 1.855 124.745 122.820 0.118 0.000 2.566 71 A HA 0.053 4.896 4.320 0.871 0.000 0.245 71 A C 0.767 178.441 177.584 0.150 0.000 1.056 71 A CA 0.228 52.333 52.037 0.112 0.000 0.757 71 A CB -0.630 18.416 19.000 0.077 0.000 0.979 71 A HN 0.490 nan 8.150 nan 0.000 0.508 72 N N 1.058 119.837 118.700 0.133 0.000 2.721 72 N HA -0.194 5.069 4.740 0.871 0.000 0.249 72 N C 0.476 176.078 175.510 0.154 0.000 1.072 72 N CA 1.600 54.727 53.050 0.128 0.000 0.710 72 N CB -1.003 37.550 38.487 0.110 0.000 0.993 72 N HN 0.574 nan 8.380 nan 0.000 0.547 73 S N -1.806 113.992 115.700 0.163 0.000 3.952 73 S HA 0.511 5.503 4.470 0.871 0.000 0.211 73 S C 0.287 174.959 174.600 0.120 0.000 1.098 73 S CA 0.135 58.434 58.200 0.165 0.000 0.954 73 S CB -0.142 63.172 63.200 0.189 0.000 1.222 73 S HN 0.615 nan 8.310 nan 0.000 0.585 74 A N 3.124 126.021 122.820 0.129 0.000 2.520 74 A HA 0.528 5.370 4.320 0.871 0.000 0.235 74 A C 0.449 178.027 177.584 -0.009 0.000 1.065 74 A CA 0.208 52.279 52.037 0.057 0.000 0.764 74 A CB -0.061 19.042 19.000 0.172 0.000 1.002 74 A HN 0.609 nan 8.150 nan 0.000 0.502 75 R N 0.013 120.359 120.500 -0.256 0.000 2.762 75 R HA 0.680 5.543 4.340 0.871 0.000 0.271 75 R C 0.444 176.476 176.300 -0.447 0.000 1.038 75 R CA -0.411 55.539 56.100 -0.250 0.000 0.906 75 R CB 0.398 30.655 30.300 -0.071 0.000 1.259 75 R HN 2.111 nan 8.270 nan 0.000 0.457 76 G N -0.356 108.291 108.800 -0.256 0.000 2.157 76 G HA2 -0.271 4.212 3.960 0.871 0.000 0.239 76 G HA3 -0.271 4.212 3.960 0.871 0.000 0.239 76 G C 0.170 174.962 174.900 -0.181 0.000 0.982 76 G CA 0.333 45.312 45.100 -0.203 0.000 0.650 76 G HN 0.437 nan 8.290 nan 0.000 0.527 77 F N 1.226 121.189 119.950 0.021 0.000 2.161 77 F HA 0.072 5.118 4.527 0.866 0.000 0.300 77 F C 0.605 176.413 175.800 0.013 0.000 1.089 77 F CA 1.745 59.756 58.000 0.019 0.000 1.282 77 F CB -1.376 37.636 39.000 0.020 0.000 1.010 77 F HN 0.246 nan 8.300 nan 0.000 0.485 78 P HA -0.095 nan 4.420 nan 0.000 0.219 78 P C 1.891 179.227 177.300 0.059 0.000 1.150 78 P CA 1.099 64.260 63.100 0.100 0.000 0.814 78 P CB 0.050 31.795 31.700 0.076 0.000 0.787 79 V N -0.268 119.668 119.914 0.036 0.000 2.453 79 V HA -0.179 4.464 4.120 0.871 0.000 0.247 79 V C 2.244 178.348 176.094 0.016 0.000 1.048 79 V CA 1.374 63.681 62.300 0.012 0.000 1.049 79 V CB -0.981 30.834 31.823 -0.013 0.000 0.672 79 V HN 0.050 nan 8.190 nan 0.000 0.457 80 I N 0.240 120.829 120.570 0.032 0.000 2.315 80 I HA -0.164 4.529 4.170 0.871 0.000 0.248 80 I C 2.277 178.422 176.117 0.046 0.000 1.117 80 I CA 1.467 62.792 61.300 0.042 0.000 1.404 80 I CB -1.241 36.809 38.000 0.083 0.000 1.071 80 I HN 0.340 nan 8.210 nan 0.000 0.419 81 D N 0.731 121.169 120.400 0.063 0.000 2.117 81 D HA -0.157 5.005 4.640 0.871 0.000 0.197 81 D C 2.359 178.674 176.300 0.025 0.000 0.987 81 D CA 1.037 55.065 54.000 0.047 0.000 0.829 81 D CB -0.133 40.699 40.800 0.053 0.000 0.961 81 D HN 0.318 nan 8.370 nan 0.000 0.460 82 R N 0.259 120.772 120.500 0.021 0.000 2.073 82 R HA -0.083 4.780 4.340 0.871 0.000 0.234 82 R C 2.588 178.888 176.300 -0.001 0.000 1.134 82 R CA 1.488 57.594 56.100 0.009 0.000 0.952 82 R CB -0.300 30.005 30.300 0.007 0.000 0.850 82 R HN 0.312 nan 8.270 nan 0.000 0.433 83 M N -0.110 119.487 119.600 -0.004 0.000 2.229 83 M HA -0.028 4.975 4.480 0.871 0.000 0.264 83 M C 1.979 178.266 176.300 -0.021 0.000 1.063 83 M CA 1.611 56.901 55.300 -0.017 0.000 1.114 83 M CB -0.186 32.400 32.600 -0.024 0.000 1.387 83 M HN -0.220 nan 8.290 nan 0.000 0.420 84 K N 1.500 121.895 120.400 -0.010 0.000 2.097 84 K HA 0.089 4.932 4.320 0.871 0.000 0.205 84 K C 1.999 178.590 176.600 -0.014 0.000 1.050 84 K CA 1.814 58.094 56.287 -0.012 0.000 0.938 84 K CB -0.632 31.872 32.500 0.005 0.000 0.718 84 K HN 0.426 nan 8.250 nan 0.000 0.442 85 A N 0.512 123.328 122.820 -0.007 0.000 1.930 85 A HA 0.021 4.864 4.320 0.871 0.000 0.217 85 A C 2.360 179.936 177.584 -0.014 0.000 1.175 85 A CA 1.825 53.858 52.037 -0.007 0.000 0.627 85 A CB -0.956 18.043 19.000 -0.001 0.000 0.815 85 A HN 0.421 nan 8.150 nan 0.000 0.443 86 A N -0.558 122.251 122.820 -0.018 0.000 1.898 86 A HA 0.027 4.869 4.320 0.871 0.000 0.216 86 A C 2.202 179.767 177.584 -0.032 0.000 1.181 86 A CA 1.721 53.745 52.037 -0.023 0.000 0.620 86 A CB -0.870 18.116 19.000 -0.024 0.000 0.819 86 A HN 0.375 nan 8.150 nan 0.000 0.442 87 V N 0.267 120.156 119.914 -0.043 0.000 2.427 87 V HA -0.179 4.464 4.120 0.871 0.000 0.248 87 V C 2.479 178.542 176.094 -0.052 0.000 1.051 87 V CA 1.948 64.212 62.300 -0.061 0.000 1.048 87 V CB -0.696 31.074 31.823 -0.088 0.000 0.666 87 V HN 0.481 nan 8.190 nan 0.000 0.456 88 E N 0.246 120.424 120.200 -0.037 0.000 2.153 88 E HA -0.137 4.736 4.350 0.871 0.000 0.194 88 E C 2.468 179.055 176.600 -0.021 0.000 0.988 88 E CA 1.386 57.770 56.400 -0.026 0.000 0.811 88 E CB -0.224 29.468 29.700 -0.015 0.000 0.746 88 E HN 0.575 nan 8.360 nan 0.000 0.466 89 S N 0.594 116.282 115.700 -0.021 0.000 2.371 89 S HA -0.054 4.939 4.470 0.871 0.000 0.224 89 S C 2.039 176.627 174.600 -0.020 0.000 1.029 89 S CA 0.930 59.120 58.200 -0.017 0.000 0.978 89 S CB -0.028 63.163 63.200 -0.015 0.000 0.833 89 S HN 0.389 nan 8.310 nan 0.000 0.466 90 A N 0.224 123.028 122.820 -0.027 0.000 1.872 90 A HA 0.005 4.848 4.320 0.871 0.000 0.214 90 A C 1.058 178.625 177.584 -0.028 0.000 1.187 90 A CA 0.892 52.912 52.037 -0.028 0.000 0.614 90 A CB -0.349 18.629 19.000 -0.037 0.000 0.826 90 A HN 0.570 nan 8.150 nan 0.000 0.442 91 c N -0.175 118.404 118.600 -0.036 0.000 2.978 91 c HA 0.466 5.559 4.570 0.871 0.000 0.274 91 c C -2.907 171.169 174.090 -0.025 0.000 1.087 91 c CA -1.697 54.614 56.329 -0.030 0.000 1.453 91 c CB 0.361 42.845 42.510 -0.044 0.000 1.838 91 c HN 0.252 nan 8.230 nan 0.000 0.470 92 P HA 0.090 nan 4.420 nan 0.000 0.264 92 P C 0.319 177.622 177.300 0.005 0.000 1.183 92 P CA 0.637 63.734 63.100 -0.005 0.000 0.763 92 P CB 0.282 31.981 31.700 -0.002 0.000 0.807 93 R N 0.487 120.993 120.500 0.009 0.000 3.387 93 R HA -0.190 4.673 4.340 0.871 0.000 0.254 93 R C 0.423 176.751 176.300 0.047 0.000 1.006 93 R CA 0.963 57.079 56.100 0.026 0.000 0.677 93 R CB -2.664 27.652 30.300 0.027 0.000 1.063 93 R HN 0.538 nan 8.270 nan 0.000 0.453 94 T N -1.589 112.988 114.554 0.038 0.000 3.138 94 T HA 0.127 5.000 4.350 0.871 0.000 0.245 94 T C 0.690 175.469 174.700 0.132 0.000 0.982 94 T CA 0.350 62.502 62.100 0.088 0.000 1.134 94 T CB 0.578 69.473 68.868 0.045 0.000 1.032 94 T HN 0.045 nan 8.240 nan 0.000 0.442 95 V N 4.381 124.251 119.914 -0.072 0.000 2.432 95 V HA 0.420 5.063 4.120 0.871 0.000 0.271 95 V C 0.519 176.611 176.094 -0.003 0.000 1.046 95 V CA -0.994 61.185 62.300 -0.201 0.000 0.945 95 V CB 0.849 32.391 31.823 -0.467 0.000 0.992 95 V HN 0.592 nan 8.190 nan 0.000 0.471 96 S N 3.492 119.266 115.700 0.123 0.000 2.593 96 S HA 0.070 5.062 4.470 0.871 0.000 0.269 96 S C 1.188 175.819 174.600 0.051 0.000 1.334 96 S CA -0.486 57.770 58.200 0.092 0.000 1.015 96 S CB 0.896 64.162 63.200 0.109 0.000 0.912 96 S HN 0.730 nan 8.310 nan 0.000 0.541 97 C N 1.475 120.802 119.300 0.045 0.000 2.435 97 C HA 0.054 5.036 4.460 0.871 0.000 0.279 97 C C 3.102 178.125 174.990 0.055 0.000 1.321 97 C CA 0.788 59.831 59.018 0.043 0.000 1.752 97 C CB -2.110 25.660 27.740 0.050 0.000 1.959 97 C HN 1.009 nan 8.230 nan 0.000 0.500 98 A N 1.009 123.867 122.820 0.062 0.000 1.877 98 A HA -0.216 4.626 4.320 0.871 0.000 0.216 98 A C 1.836 179.463 177.584 0.072 0.000 1.186 98 A CA 2.230 54.311 52.037 0.073 0.000 0.620 98 A CB -0.615 18.418 19.000 0.055 0.000 0.822 98 A HN 0.496 nan 8.150 nan 0.000 0.443 99 D N -0.642 119.799 120.400 0.069 0.000 2.117 99 D HA -0.099 5.064 4.640 0.871 0.000 0.198 99 D C 1.859 178.173 176.300 0.025 0.000 0.982 99 D CA 1.087 55.135 54.000 0.079 0.000 0.828 99 D CB -0.389 40.542 40.800 0.217 0.000 0.967 99 D HN 0.300 nan 8.370 nan 0.000 0.464 100 L N 0.560 121.786 121.223 0.005 0.000 2.042 100 L HA -0.150 4.713 4.340 0.871 0.000 0.210 100 L C 2.067 178.912 176.870 -0.042 0.000 1.076 100 L CA 1.333 56.151 54.840 -0.036 0.000 0.749 100 L CB -0.556 41.485 42.059 -0.030 0.000 0.893 100 L HN 0.039 nan 8.230 nan 0.000 0.432 101 L N -1.384 119.834 121.223 -0.008 0.000 2.141 101 L HA -0.118 4.745 4.340 0.871 0.000 0.209 101 L C 2.247 179.030 176.870 -0.145 0.000 1.094 101 L CA 2.158 56.994 54.840 -0.007 0.000 0.763 101 L CB -0.966 41.150 42.059 0.095 0.000 0.908 101 L HN 0.307 nan 8.230 nan 0.000 0.437 102 T N -0.096 114.341 114.554 -0.194 0.000 2.737 102 T HA -0.115 4.758 4.350 0.871 0.000 0.265 102 T C 1.974 176.452 174.700 -0.369 0.000 1.038 102 T CA 1.982 63.792 62.100 -0.482 0.000 1.144 102 T CB -0.262 68.496 68.868 -0.183 0.000 0.866 102 T HN 0.314 nan 8.240 nan 0.000 0.434 103 I N 1.466 121.907 120.570 -0.216 0.000 2.226 103 I HA -0.171 4.522 4.170 0.871 0.000 0.245 103 I C 2.966 178.954 176.117 -0.216 0.000 1.100 103 I CA 1.079 62.252 61.300 -0.213 0.000 1.374 103 I CB -0.550 37.369 38.000 -0.135 0.000 1.057 103 I HN 0.187 nan 8.210 nan 0.000 0.413 104 A N 0.918 123.641 122.820 -0.162 0.000 1.908 104 A HA -0.208 4.635 4.320 0.871 0.000 0.218 104 A C 2.557 180.068 177.584 -0.121 0.000 1.181 104 A CA 2.050 54.016 52.037 -0.120 0.000 0.627 104 A CB -0.832 18.123 19.000 -0.075 0.000 0.818 104 A HN 0.449 nan 8.150 nan 0.000 0.445 105 A N -1.054 121.670 122.820 -0.160 0.000 1.877 105 A HA -0.216 4.626 4.320 0.871 0.000 0.216 105 A C 2.231 179.752 177.584 -0.104 0.000 1.186 105 A CA 1.827 53.812 52.037 -0.085 0.000 0.620 105 A CB -0.574 18.343 19.000 -0.138 0.000 0.822 105 A HN 0.566 nan 8.150 nan 0.000 0.443 106 Q N -0.727 118.905 119.800 -0.279 0.000 2.050 106 Q HA -0.227 4.636 4.340 0.871 0.000 0.202 106 Q C 2.051 177.802 176.000 -0.415 0.000 0.980 106 Q CA 1.870 57.351 55.803 -0.537 0.000 0.840 106 Q CB -0.324 27.829 28.738 -0.975 0.000 0.898 106 Q HN 0.654 nan 8.270 nan 0.000 0.424 107 Q N -0.025 119.596 119.800 -0.298 0.000 2.124 107 Q HA -0.058 4.805 4.340 0.871 0.000 0.202 107 Q C 2.230 178.159 176.000 -0.118 0.000 0.977 107 Q CA 1.370 57.052 55.803 -0.202 0.000 0.850 107 Q CB -0.245 28.401 28.738 -0.153 0.000 0.901 107 Q HN 0.301 nan 8.270 nan 0.000 0.429 108 S N 0.353 116.012 115.700 -0.069 0.000 2.368 108 S HA -0.094 4.899 4.470 0.871 0.000 0.225 108 S C 2.191 176.819 174.600 0.046 0.000 1.030 108 S CA 1.056 59.273 58.200 0.029 0.000 0.999 108 S CB -0.190 63.062 63.200 0.086 0.000 0.844 108 S HN 0.137 nan 8.310 nan 0.000 0.459 109 V N 1.717 121.596 119.914 -0.059 0.000 2.295 109 V HA -0.188 4.454 4.120 0.871 0.000 0.246 109 V C 2.526 178.405 176.094 -0.358 0.000 1.049 109 V CA 2.156 64.252 62.300 -0.340 0.000 1.024 109 V CB -1.298 30.269 31.823 -0.426 0.000 0.648 109 V HN 0.514 nan 8.190 nan 0.000 0.447 110 T N 0.290 114.705 114.554 -0.231 0.000 2.746 110 T HA -0.124 4.749 4.350 0.871 0.000 0.267 110 T C 1.880 176.525 174.700 -0.091 0.000 1.039 110 T CA 1.396 63.395 62.100 -0.168 0.000 1.142 110 T CB -0.310 68.472 68.868 -0.144 0.000 0.866 110 T HN 0.284 nan 8.240 nan 0.000 0.444 111 L N 0.631 121.821 121.223 -0.055 0.000 2.191 111 L HA -0.011 4.852 4.340 0.871 0.000 0.212 111 L C 2.519 179.414 176.870 0.042 0.000 1.103 111 L CA 0.782 55.621 54.840 -0.002 0.000 0.769 111 L CB -0.421 41.645 42.059 0.010 0.000 0.908 111 L HN 0.234 nan 8.230 nan 0.000 0.438 112 A N -0.760 122.095 122.820 0.058 0.000 2.337 112 A HA 0.380 5.223 4.320 0.871 0.000 0.227 112 A C 1.555 179.196 177.584 0.094 0.000 1.259 112 A CA 0.609 52.724 52.037 0.130 0.000 0.870 112 A CB -0.287 18.869 19.000 0.260 0.000 0.927 112 A HN 0.489 nan 8.150 nan 0.000 0.497 113 G N -1.949 106.876 108.800 0.041 0.000 2.141 113 G HA2 -0.029 4.454 3.960 0.871 0.000 0.231 113 G HA3 -0.029 4.454 3.960 0.871 0.000 0.231 113 G C 0.708 175.646 174.900 0.063 0.000 0.984 113 G CA 0.217 45.364 45.100 0.078 0.000 0.660 113 G HN 1.276 nan 8.290 nan 0.000 0.525 114 G N 0.067 108.756 108.800 -0.185 0.000 2.525 114 G HA2 0.738 5.221 3.960 0.871 0.000 0.287 114 G HA3 0.738 5.221 3.960 0.871 0.000 0.287 114 G C -1.625 172.911 174.900 -0.607 0.000 1.350 114 G CA -0.476 44.238 45.100 -0.643 0.000 1.039 114 G HN 0.282 nan 8.290 nan 0.000 0.513 115 P HA 0.185 nan 4.420 nan 0.000 0.272 115 P C -0.580 176.746 177.300 0.043 0.000 1.230 115 P CA 0.004 62.895 63.100 -0.347 0.000 0.788 115 P CB 1.440 32.867 31.700 -0.455 0.000 0.949 116 S N 1.463 117.256 115.700 0.155 0.000 2.473 116 S HA 0.760 5.753 4.470 0.871 0.000 0.307 116 S C -1.439 173.366 174.600 0.341 0.000 1.094 116 S CA -0.589 57.719 58.200 0.181 0.000 1.070 116 S CB 0.110 63.337 63.200 0.046 0.000 1.019 116 S HN 0.631 nan 8.310 nan 0.000 0.480 117 W N 3.349 124.597 121.300 -0.086 0.000 2.989 117 W HA 0.614 5.796 4.660 0.869 0.000 0.344 117 W C -1.803 174.685 176.519 -0.050 0.000 1.233 117 W CA -1.108 56.201 57.345 -0.061 0.000 1.187 117 W CB 0.582 30.002 29.460 -0.066 0.000 1.443 117 W HN 0.483 nan 8.180 nan 0.000 0.573 118 R N 2.566 123.063 120.500 -0.005 0.000 2.207 118 R HA 0.469 5.332 4.340 0.871 0.000 0.334 118 R C 0.026 176.287 176.300 -0.066 0.000 1.013 118 R CA -0.833 55.194 56.100 -0.121 0.000 0.858 118 R CB 1.525 31.820 30.300 -0.010 0.000 1.094 118 R HN 0.530 nan 8.270 nan 0.000 0.457 119 V N 1.357 121.137 119.914 -0.223 0.000 2.775 119 V HA 0.364 5.007 4.120 0.871 0.000 0.299 119 V C -2.250 173.856 176.094 0.020 0.000 1.062 119 V CA -2.302 59.973 62.300 -0.042 0.000 1.063 119 V CB 0.683 32.429 31.823 -0.128 0.000 0.994 119 V HN 0.541 nan 8.190 nan 0.000 0.483 120 P HA 0.433 nan 4.420 nan 0.000 0.268 120 P C -0.685 176.607 177.300 -0.014 0.000 1.205 120 P CA 0.114 63.230 63.100 0.026 0.000 0.771 120 P CB 0.539 32.256 31.700 0.028 0.000 0.858 121 L N 1.046 122.234 121.223 -0.059 0.000 2.303 121 L HA 0.771 5.633 4.340 0.871 0.000 0.256 121 L C 1.094 177.653 176.870 -0.518 0.000 1.034 121 L CA -0.566 54.179 54.840 -0.159 0.000 0.832 121 L CB 1.923 43.968 42.059 -0.024 0.000 1.403 121 L HN 0.621 nan 8.230 nan 0.000 0.419 122 G N 0.094 108.360 108.800 -0.890 0.000 2.273 122 G HA2 -0.128 4.355 3.960 0.871 0.000 0.162 122 G HA3 -0.128 4.355 3.960 0.871 0.000 0.162 122 G C 0.054 174.540 174.900 -0.691 0.000 1.006 122 G CA -0.683 43.477 45.100 -1.565 0.000 0.704 122 G HN 0.438 nan 8.290 nan 0.000 0.487 123 R N 0.305 120.596 120.500 -0.348 0.000 2.641 123 R HA 0.683 5.545 4.340 0.871 0.000 0.269 123 R C 0.561 176.809 176.300 -0.087 0.000 1.074 123 R CA 0.138 56.144 56.100 -0.156 0.000 1.133 123 R CB 0.610 30.872 30.300 -0.063 0.000 1.029 123 R HN 0.263 nan 8.270 nan 0.000 0.488 124 R N 0.231 120.706 120.500 -0.042 0.000 2.919 124 R HA 0.281 5.144 4.340 0.871 0.000 0.260 124 R C -0.978 175.334 176.300 0.020 0.000 1.067 124 R CA -0.963 55.140 56.100 0.005 0.000 1.003 124 R CB 1.321 31.625 30.300 0.007 0.000 1.192 124 R HN 0.533 nan 8.270 nan 0.000 0.488 125 D N 0.872 121.292 120.400 0.033 0.000 2.210 125 D HA 0.106 5.269 4.640 0.871 0.000 0.249 125 D C 0.047 176.366 176.300 0.031 0.000 1.062 125 D CA -0.089 53.932 54.000 0.036 0.000 0.891 125 D CB 1.623 42.446 40.800 0.039 0.000 1.186 125 D HN 0.498 nan 8.370 nan 0.000 0.432 126 S N 0.981 116.702 115.700 0.035 0.000 2.589 126 S HA 0.127 5.119 4.470 0.871 0.000 0.265 126 S C 0.982 175.577 174.600 -0.009 0.000 1.342 126 S CA -0.435 57.786 58.200 0.035 0.000 1.005 126 S CB 0.636 63.883 63.200 0.079 0.000 0.909 126 S HN 0.453 nan 8.310 nan 0.000 0.555 127 L N 0.718 121.921 121.223 -0.033 0.000 2.667 127 L HA 0.305 5.168 4.340 0.871 0.000 0.232 127 L C 0.628 177.397 176.870 -0.169 0.000 1.138 127 L CA -0.220 54.592 54.840 -0.046 0.000 0.921 127 L CB -0.762 41.292 42.059 -0.007 0.000 1.180 127 L HN 0.834 nan 8.230 nan 0.000 0.487 128 Q N -1.175 118.375 119.800 -0.417 0.000 2.756 128 Q HA 0.735 5.598 4.340 0.871 0.000 0.295 128 Q C -1.588 173.622 176.000 -1.317 0.000 0.903 128 Q CA -0.940 54.206 55.803 -1.095 0.000 0.768 128 Q CB 1.902 30.017 28.738 -1.039 0.000 1.472 128 Q HN -0.070 nan 8.270 nan 0.000 0.416 129 A N 0.718 122.486 122.820 -1.754 0.000 2.311 129 A HA 0.838 5.681 4.320 0.871 0.000 0.334 129 A C -1.332 175.583 177.584 -1.116 0.000 1.139 129 A CA -0.677 50.748 52.037 -1.019 0.000 0.830 129 A CB 0.586 19.327 19.000 -0.432 0.000 1.234 129 A HN 0.531 nan 8.150 nan 0.000 0.483 130 F N 2.273 122.116 119.950 -0.178 0.000 2.453 130 F HA 0.267 5.315 4.527 0.868 0.000 0.358 130 F C 0.863 176.630 175.800 -0.055 0.000 1.129 130 F CA -0.487 57.447 58.000 -0.109 0.000 1.200 130 F CB 1.074 40.015 39.000 -0.098 0.000 1.431 130 F HN 0.508 nan 8.300 nan 0.000 0.503 131 L N 1.106 122.364 121.223 0.059 0.000 2.017 131 L HA -0.140 4.723 4.340 0.871 0.000 0.208 131 L C 1.855 178.760 176.870 0.058 0.000 1.073 131 L CA 2.118 56.982 54.840 0.041 0.000 0.745 131 L CB -0.381 41.683 42.059 0.009 0.000 0.894 131 L HN 0.352 nan 8.230 nan 0.000 0.432 132 D N -0.596 119.851 120.400 0.079 0.000 2.123 132 D HA -0.200 4.963 4.640 0.871 0.000 0.196 132 D C 2.214 178.574 176.300 0.100 0.000 0.992 132 D CA 1.478 55.531 54.000 0.089 0.000 0.833 132 D CB -0.204 40.650 40.800 0.090 0.000 0.954 132 D HN 0.305 nan 8.370 nan 0.000 0.455 133 L N 0.946 122.235 121.223 0.109 0.000 2.083 133 L HA -0.085 4.778 4.340 0.871 0.000 0.209 133 L C 2.160 179.071 176.870 0.068 0.000 1.083 133 L CA 1.557 56.440 54.840 0.071 0.000 0.752 133 L CB -0.708 41.369 42.059 0.030 0.000 0.899 133 L HN -0.047 nan 8.230 nan 0.000 0.433 134 A N -0.577 122.291 122.820 0.079 0.000 1.877 134 A HA -0.215 4.628 4.320 0.871 0.000 0.216 134 A C 2.091 179.726 177.584 0.085 0.000 1.186 134 A CA 1.829 53.901 52.037 0.058 0.000 0.620 134 A CB -0.742 18.285 19.000 0.044 0.000 0.822 134 A HN 0.572 nan 8.150 nan 0.000 0.443 135 N N 0.207 118.975 118.700 0.113 0.000 2.223 135 N HA -0.072 5.191 4.740 0.871 0.000 0.185 135 N C 1.715 177.357 175.510 0.221 0.000 1.016 135 N CA 1.444 54.621 53.050 0.211 0.000 0.863 135 N CB -0.384 38.256 38.487 0.255 0.000 0.983 135 N HN 0.505 nan 8.380 nan 0.000 0.429 136 A N 0.473 123.393 122.820 0.165 0.000 1.943 136 A HA 0.063 4.906 4.320 0.871 0.000 0.213 136 A C 1.901 179.583 177.584 0.164 0.000 1.181 136 A CA 0.787 52.922 52.037 0.163 0.000 0.653 136 A CB -0.039 19.032 19.000 0.119 0.000 0.833 136 A HN 0.153 nan 8.150 nan 0.000 0.451 137 N N -0.237 118.539 118.700 0.127 0.000 2.368 137 N HA 0.141 5.404 4.740 0.871 0.000 0.176 137 N C 0.255 175.883 175.510 0.197 0.000 1.021 137 N CA 0.217 53.350 53.050 0.139 0.000 0.888 137 N CB -0.250 38.273 38.487 0.061 0.000 0.995 137 N HN 0.376 nan 8.380 nan 0.000 0.437 138 L N 3.265 124.553 121.223 0.108 0.000 2.410 138 L HA 0.191 5.054 4.340 0.871 0.000 0.273 138 L C -1.815 175.019 176.870 -0.061 0.000 1.152 138 L CA -1.378 53.464 54.840 0.004 0.000 0.855 138 L CB 0.353 42.367 42.059 -0.075 0.000 1.129 138 L HN 0.012 nan 8.230 nan 0.000 0.463 139 P HA 0.244 nan 4.420 nan 0.000 0.274 139 P C -1.117 175.689 177.300 -0.824 0.000 1.237 139 P CA -0.464 62.330 63.100 -0.509 0.000 0.793 139 P CB 1.427 33.084 31.700 -0.071 0.000 0.977 140 A N 3.001 124.806 122.820 -1.691 0.000 2.356 140 A HA 0.576 5.419 4.320 0.871 0.000 0.323 140 A C -1.648 175.417 177.584 -0.865 0.000 1.119 140 A CA -1.749 49.554 52.037 -1.224 0.000 0.790 140 A CB 0.776 18.802 19.000 -1.623 0.000 1.273 140 A HN 0.358 nan 8.150 nan 0.000 0.452 141 P HA -0.143 nan 4.420 nan 0.000 0.221 141 P C 0.677 178.003 177.300 0.043 0.000 1.145 141 P CA 1.330 64.338 63.100 -0.153 0.000 0.795 141 P CB -0.148 31.501 31.700 -0.085 0.000 0.775 142 F N -3.800 116.264 119.950 0.190 0.000 2.732 142 F HA 0.401 5.042 4.527 0.191 0.000 0.303 142 F C 0.558 176.584 175.800 0.377 0.000 1.110 142 F CA -1.675 56.489 58.000 0.273 0.000 1.355 142 F CB -1.215 37.921 39.000 0.226 0.000 1.081 142 F HN -0.368 nan 8.300 nan 0.000 0.565 143 F N 2.675 122.597 119.950 -0.048 0.000 2.518 143 F HA 0.279 5.330 4.527 0.873 0.000 0.359 143 F C 1.360 177.234 175.800 0.123 0.000 1.118 143 F CA -1.278 56.749 58.000 0.045 0.000 1.287 143 F CB 0.626 39.609 39.000 -0.028 0.000 1.132 143 F HN 0.098 nan 8.300 nan 0.000 0.587 144 T N 1.181 115.867 114.554 0.220 0.000 2.816 144 T HA 0.239 5.112 4.350 0.871 0.000 0.282 144 T C 1.127 175.912 174.700 0.142 0.000 0.993 144 T CA -0.813 61.385 62.100 0.162 0.000 0.994 144 T CB 0.878 69.800 68.868 0.089 0.000 1.025 144 T HN 0.490 nan 8.240 nan 0.000 0.529 145 L N 1.533 122.823 121.223 0.112 0.000 2.042 145 L HA 0.134 4.996 4.340 0.871 0.000 0.210 145 L C -0.921 175.989 176.870 0.067 0.000 1.076 145 L CA 1.682 56.573 54.840 0.085 0.000 0.749 145 L CB -1.697 40.397 42.059 0.057 0.000 0.893 145 L HN 0.538 nan 8.230 nan 0.000 0.432 146 P HA -0.170 nan 4.420 nan 0.000 0.217 146 P C 1.486 178.804 177.300 0.031 0.000 1.150 146 P CA 1.447 64.565 63.100 0.030 0.000 0.832 146 P CB -0.025 31.682 31.700 0.011 0.000 0.787 147 Q N -0.911 118.886 119.800 -0.004 0.000 2.119 147 Q HA -0.080 4.782 4.340 0.871 0.000 0.201 147 Q C 2.156 178.267 176.000 0.184 0.000 0.972 147 Q CA 1.057 56.805 55.803 -0.092 0.000 0.847 147 Q CB -0.622 27.810 28.738 -0.511 0.000 0.903 147 Q HN 0.290 nan 8.270 nan 0.000 0.433 148 L N 0.610 122.004 121.223 0.285 0.000 2.017 148 L HA -0.210 4.652 4.340 0.871 0.000 0.208 148 L C 2.303 179.337 176.870 0.273 0.000 1.073 148 L CA 1.317 56.370 54.840 0.356 0.000 0.745 148 L CB -0.333 41.834 42.059 0.180 0.000 0.894 148 L HN 0.130 nan 8.230 nan 0.000 0.432 149 K N -0.142 120.343 120.400 0.141 0.000 2.063 149 K HA -0.187 4.656 4.320 0.871 0.000 0.208 149 K C 1.756 178.476 176.600 0.200 0.000 1.048 149 K CA 1.598 57.958 56.287 0.121 0.000 0.928 149 K CB -0.202 32.336 32.500 0.064 0.000 0.713 149 K HN 0.276 nan 8.250 nan 0.000 0.442 150 D N 0.164 120.667 120.400 0.171 0.000 2.117 150 D HA -0.136 5.027 4.640 0.871 0.000 0.197 150 D C 1.973 178.411 176.300 0.230 0.000 0.987 150 D CA 0.996 55.089 54.000 0.154 0.000 0.829 150 D CB -0.283 40.572 40.800 0.092 0.000 0.961 150 D HN 0.029 nan 8.370 nan 0.000 0.460 151 S N -0.486 115.430 115.700 0.359 0.000 2.353 151 S HA -0.165 4.828 4.470 0.871 0.000 0.222 151 S C 1.897 176.767 174.600 0.449 0.000 1.035 151 S CA 0.879 59.353 58.200 0.457 0.000 1.025 151 S CB -0.337 63.251 63.200 0.647 0.000 0.902 151 S HN 0.065 nan 8.310 nan 0.000 0.440 152 F N 1.729 121.854 119.950 0.292 0.000 2.146 152 F HA 0.107 5.151 4.527 0.862 0.000 0.298 152 F C 2.577 178.403 175.800 0.044 0.000 1.096 152 F CA 1.186 59.325 58.000 0.231 0.000 1.275 152 F CB -0.590 38.567 39.000 0.261 0.000 1.008 152 F HN 0.141 nan 8.300 nan 0.000 0.480 153 R N -0.172 120.476 120.500 0.246 0.000 2.096 153 R HA -0.210 4.653 4.340 0.871 0.000 0.235 153 R C 1.914 178.232 176.300 0.029 0.000 1.127 153 R CA 1.495 57.662 56.100 0.111 0.000 0.968 153 R CB -0.727 29.634 30.300 0.102 0.000 0.861 153 R HN 0.252 nan 8.270 nan 0.000 0.440 154 N N 0.611 119.331 118.700 0.034 0.000 2.205 154 N HA -0.135 5.128 4.740 0.871 0.000 0.186 154 N C 1.464 176.905 175.510 -0.114 0.000 1.015 154 N CA 1.450 54.489 53.050 -0.018 0.000 0.862 154 N CB 0.179 38.681 38.487 0.025 0.000 0.986 154 N HN 0.166 nan 8.380 nan 0.000 0.429 155 V N -4.615 115.161 119.914 -0.230 0.000 3.647 155 V HA 0.542 5.184 4.120 0.871 0.000 0.279 155 V C 1.229 177.148 176.094 -0.292 0.000 1.314 155 V CA 0.481 62.556 62.300 -0.376 0.000 1.125 155 V CB -0.147 31.182 31.823 -0.824 0.000 0.907 155 V HN 0.300 nan 8.190 nan 0.000 0.434 156 G N 0.634 109.329 108.800 -0.176 0.000 2.175 156 G HA2 -0.150 4.333 3.960 0.871 0.000 0.182 156 G HA3 -0.150 4.333 3.960 0.871 0.000 0.182 156 G C -0.183 174.682 174.900 -0.059 0.000 1.003 156 G CA -0.047 44.987 45.100 -0.110 0.000 0.666 156 G HN 0.476 nan 8.290 nan 0.000 0.506 157 L N 1.510 122.719 121.223 -0.025 0.000 2.360 157 L HA 0.400 5.263 4.340 0.871 0.000 0.265 157 L C 0.978 177.937 176.870 0.148 0.000 1.066 157 L CA -0.925 53.971 54.840 0.092 0.000 0.929 157 L CB 0.849 43.031 42.059 0.204 0.000 1.306 157 L HN -0.037 nan 8.230 nan 0.000 0.434 158 N N 1.459 120.213 118.700 0.090 0.000 2.354 158 N HA 0.001 5.264 4.740 0.871 0.000 0.179 158 N C 0.462 176.023 175.510 0.084 0.000 1.021 158 N CA 0.629 53.728 53.050 0.081 0.000 0.887 158 N CB 0.196 38.710 38.487 0.046 0.000 0.974 158 N HN 0.458 nan 8.380 nan 0.000 0.437 159 R N 0.331 120.885 120.500 0.090 0.000 2.390 159 R HA 0.244 5.106 4.340 0.871 0.000 0.291 159 R C 1.044 177.390 176.300 0.077 0.000 1.070 159 R CA -0.139 56.007 56.100 0.076 0.000 1.014 159 R CB 0.703 31.047 30.300 0.073 0.000 1.007 159 R HN -0.026 nan 8.270 nan 0.000 0.466 160 S N 0.903 116.630 115.700 0.045 0.000 2.419 160 S HA -0.176 4.817 4.470 0.871 0.000 0.233 160 S C 1.849 176.477 174.600 0.046 0.000 1.016 160 S CA 1.517 59.729 58.200 0.020 0.000 0.974 160 S CB -0.060 63.141 63.200 0.001 0.000 0.786 160 S HN 0.707 nan 8.310 nan 0.000 0.492 161 S N 1.280 117.029 115.700 0.082 0.000 2.402 161 S HA -0.140 4.853 4.470 0.871 0.000 0.229 161 S C 1.451 176.170 174.600 0.198 0.000 1.021 161 S CA 1.081 59.375 58.200 0.157 0.000 0.974 161 S CB -0.392 62.905 63.200 0.161 0.000 0.800 161 S HN 0.409 nan 8.310 nan 0.000 0.484 162 D N 1.183 121.681 120.400 0.162 0.000 2.097 162 D HA -0.091 5.072 4.640 0.871 0.000 0.195 162 D C 1.927 178.367 176.300 0.232 0.000 0.989 162 D CA 1.067 55.198 54.000 0.218 0.000 0.827 162 D CB -0.551 40.417 40.800 0.281 0.000 0.966 162 D HN 0.379 nan 8.370 nan 0.000 0.456 163 L N 0.905 122.143 121.223 0.026 0.000 1.994 163 L HA -0.141 4.722 4.340 0.871 0.000 0.208 163 L C 2.310 179.151 176.870 -0.048 0.000 1.071 163 L CA 1.415 56.041 54.840 -0.357 0.000 0.745 163 L CB -0.606 41.126 42.059 -0.547 0.000 0.892 163 L HN -0.134 nan 8.230 nan 0.000 0.431 164 V N 0.222 120.200 119.914 0.106 0.000 2.343 164 V HA -0.267 4.375 4.120 0.871 0.000 0.247 164 V C 2.788 179.230 176.094 0.579 0.000 1.051 164 V CA 1.630 64.108 62.300 0.297 0.000 1.036 164 V CB -1.518 30.422 31.823 0.196 0.000 0.654 164 V HN 0.615 nan 8.190 nan 0.000 0.451 165 A N -0.150 123.027 122.820 0.594 0.000 1.873 165 A HA -0.095 4.748 4.320 0.871 0.000 0.215 165 A C 2.191 180.150 177.584 0.625 0.000 1.186 165 A CA 1.607 54.036 52.037 0.653 0.000 0.616 165 A CB -0.536 18.696 19.000 0.388 0.000 0.823 165 A HN 0.487 nan 8.150 nan 0.000 0.442 166 L N -0.238 121.205 121.223 0.367 0.000 2.201 166 L HA -0.110 4.753 4.340 0.871 0.000 0.212 166 L C 2.540 179.462 176.870 0.087 0.000 1.105 166 L CA 1.117 56.118 54.840 0.268 0.000 0.775 166 L CB -0.319 41.870 42.059 0.217 0.000 0.913 166 L HN 0.278 nan 8.230 nan 0.000 0.440 167 S N 0.128 115.831 115.700 0.006 0.000 2.469 167 S HA -0.086 4.907 4.470 0.871 0.000 0.238 167 S C 1.932 176.099 174.600 -0.721 0.000 0.998 167 S CA 0.941 58.943 58.200 -0.331 0.000 0.957 167 S CB -0.295 62.864 63.200 -0.067 0.000 0.764 167 S HN 0.618 nan 8.310 nan 0.000 0.514 168 G N 0.995 109.612 108.800 -0.304 0.000 2.625 168 G HA2 0.040 4.523 3.960 0.871 0.000 0.214 168 G HA3 0.040 4.523 3.960 0.871 0.000 0.214 168 G C 1.257 175.785 174.900 -0.620 0.000 1.132 168 G CA 0.537 45.262 45.100 -0.625 0.000 0.782 168 G HN 0.543 nan 8.290 nan 0.000 0.538 169 G N -0.320 108.283 108.800 -0.330 0.000 2.498 169 G HA2 -0.142 4.341 3.960 0.871 0.000 0.219 169 G HA3 -0.142 4.341 3.960 0.871 0.000 0.219 169 G C 1.122 175.906 174.900 -0.193 0.000 1.119 169 G CA 0.304 45.346 45.100 -0.097 0.000 0.766 169 G HN 0.677 nan 8.290 nan 0.000 0.552 170 H N -0.546 118.110 119.070 -0.691 0.000 2.566 170 H HA 0.119 5.196 4.556 0.868 0.000 0.280 170 H C 2.104 177.173 175.328 -0.432 0.000 1.042 170 H CA 0.263 55.847 56.048 -0.774 0.000 1.168 170 H CB 0.449 29.558 29.762 -1.090 0.000 1.340 170 H HN 0.259 nan 8.280 nan 0.000 0.597 171 T N 0.622 114.961 114.554 -0.358 0.000 3.118 171 T HA -0.028 4.845 4.350 0.871 0.000 0.260 171 T C -0.106 174.615 174.700 0.035 0.000 1.139 171 T CA 0.206 62.142 62.100 -0.274 0.000 1.085 171 T CB -0.075 68.397 68.868 -0.660 0.000 0.934 171 T HN 0.333 nan 8.240 nan 0.000 0.518 172 F N -1.500 118.411 119.950 -0.066 0.000 2.789 172 F HA 0.727 5.776 4.527 0.871 0.000 0.319 172 F C 0.018 175.899 175.800 0.136 0.000 1.168 172 F CA -1.799 56.236 58.000 0.059 0.000 0.934 172 F CB 0.826 39.875 39.000 0.081 0.000 1.375 172 F HN 0.140 nan 8.300 nan 0.000 0.480 173 G N 1.407 110.266 108.800 0.100 0.000 2.655 173 G HA2 0.216 4.699 3.960 0.871 0.000 0.680 173 G HA3 0.216 4.699 3.960 0.871 0.000 0.680 173 G C -1.728 173.303 174.900 0.220 0.000 1.302 173 G CA -0.778 44.343 45.100 0.036 0.000 0.872 173 G HN 0.791 nan 8.290 nan 0.000 0.540 174 K N 0.013 120.509 120.400 0.160 0.000 2.281 174 K HA 0.707 5.550 4.320 0.871 0.000 0.242 174 K C -0.158 176.394 176.600 -0.080 0.000 0.971 174 K CA -1.001 55.304 56.287 0.031 0.000 0.834 174 K CB 2.189 34.693 32.500 0.006 0.000 1.181 174 K HN 0.782 nan 8.250 nan 0.000 0.435 175 N N 0.286 118.791 118.700 -0.324 0.000 2.284 175 N HA 0.149 5.412 4.740 0.871 0.000 0.289 175 N C -1.463 173.976 175.510 -0.119 0.000 1.179 175 N CA -0.416 52.426 53.050 -0.347 0.000 0.774 175 N CB 1.670 39.591 38.487 -0.944 0.000 1.548 175 N HN 0.314 nan 8.380 nan 0.000 0.473 176 Q N 1.049 120.879 119.800 0.050 0.000 2.230 176 Q HA 0.296 5.159 4.340 0.871 0.000 0.248 176 Q C 0.550 176.494 176.000 -0.092 0.000 0.915 176 Q CA -0.775 55.003 55.803 -0.041 0.000 0.900 176 Q CB 1.351 30.024 28.738 -0.109 0.000 1.229 176 Q HN 0.729 nan 8.270 nan 0.000 0.439 177 c N 1.042 119.580 118.600 -0.103 0.000 2.403 177 c HA -0.196 4.897 4.570 0.871 0.000 0.277 177 c C 2.557 176.581 174.090 -0.109 0.000 1.248 177 c CA 0.916 57.195 56.329 -0.083 0.000 1.762 177 c CB -0.884 41.592 42.510 -0.056 0.000 2.014 177 c HN 0.943 nan 8.230 nan 0.000 0.486 178 R N 0.157 120.513 120.500 -0.240 0.000 2.134 178 R HA -0.217 4.646 4.340 0.871 0.000 0.248 178 R C 1.495 177.625 176.300 -0.284 0.000 1.143 178 R CA 2.127 58.012 56.100 -0.358 0.000 0.957 178 R CB -0.460 29.434 30.300 -0.676 0.000 0.867 178 R HN 0.511 nan 8.270 nan 0.000 0.441 179 F N 0.210 120.191 119.950 0.050 0.000 2.811 179 F HA 0.094 5.043 4.527 0.703 0.000 0.301 179 F C 1.663 177.510 175.800 0.079 0.000 1.151 179 F CA 0.265 58.316 58.000 0.085 0.000 1.412 179 F CB 0.073 39.114 39.000 0.068 0.000 1.113 179 F HN 0.169 nan 8.300 nan 0.000 0.579 180 I N -5.394 115.267 120.570 0.150 0.000 4.442 180 I HA 0.100 4.793 4.170 0.871 0.000 0.331 180 I C 1.614 177.762 176.117 0.053 0.000 1.364 180 I CA 0.019 61.374 61.300 0.091 0.000 1.207 180 I CB -0.052 37.946 38.000 -0.004 0.000 1.298 180 I HN -0.198 nan 8.210 nan 0.000 0.463 181 M N 2.737 122.385 119.600 0.081 0.000 2.144 181 M HA -0.178 4.824 4.480 0.871 0.000 0.260 181 M C 1.984 178.378 176.300 0.156 0.000 1.067 181 M CA 2.149 57.530 55.300 0.134 0.000 1.095 181 M CB -1.123 31.563 32.600 0.144 0.000 1.365 181 M HN 0.585 nan 8.290 nan 0.000 0.406 182 D N 0.028 120.528 120.400 0.166 0.000 2.117 182 D HA -0.200 4.963 4.640 0.871 0.000 0.197 182 D C 1.888 178.344 176.300 0.260 0.000 0.987 182 D CA 1.274 55.402 54.000 0.213 0.000 0.829 182 D CB -0.707 40.227 40.800 0.223 0.000 0.961 182 D HN 0.386 nan 8.370 nan 0.000 0.460 183 R N 0.040 120.663 120.500 0.204 0.000 2.152 183 R HA 0.071 4.934 4.340 0.871 0.000 0.232 183 R C 2.600 178.821 176.300 -0.131 0.000 1.117 183 R CA 0.680 56.790 56.100 0.016 0.000 0.981 183 R CB -0.181 30.065 30.300 -0.089 0.000 0.870 183 R HN 0.310 nan 8.270 nan 0.000 0.451 184 L N -1.425 119.659 121.223 -0.232 0.000 2.209 184 L HA -0.022 4.841 4.340 0.871 0.000 0.207 184 L C 1.155 177.574 176.870 -0.752 0.000 1.094 184 L CA 1.064 55.547 54.840 -0.594 0.000 0.790 184 L CB 0.009 41.514 42.059 -0.922 0.000 0.932 184 L HN 0.170 nan 8.230 nan 0.000 0.447 185 Y N -2.463 117.859 120.300 0.037 0.000 2.476 185 Y HA 0.241 5.311 4.550 0.866 0.000 0.274 185 Y C 0.521 176.455 175.900 0.056 0.000 1.120 185 Y CA -0.810 57.311 58.100 0.034 0.000 1.214 185 Y CB 0.495 38.965 38.460 0.017 0.000 1.285 185 Y HN 0.029 nan 8.280 nan 0.000 0.520 186 N N 0.263 119.092 118.700 0.214 0.000 2.751 186 N HA 0.102 5.365 4.740 0.871 0.000 0.238 186 N C -1.962 173.657 175.510 0.181 0.000 1.351 186 N CA -0.296 52.853 53.050 0.165 0.000 0.751 186 N CB -0.058 38.501 38.487 0.119 0.000 1.342 186 N HN 0.005 nan 8.380 nan 0.000 0.540 187 F N 2.763 122.734 119.950 0.035 0.000 2.445 187 F HA 0.327 5.373 4.527 0.864 0.000 0.359 187 F C 0.901 176.721 175.800 0.033 0.000 1.101 187 F CA 0.126 58.147 58.000 0.035 0.000 1.177 187 F CB 0.559 39.577 39.000 0.029 0.000 1.110 187 F HN 0.487 nan 8.300 nan 0.000 0.522 188 S N 5.396 120.730 115.700 -0.610 0.000 3.559 188 S HA -0.294 4.699 4.470 0.871 0.000 0.369 188 S C 0.412 174.898 174.600 -0.189 0.000 0.987 188 S CA 0.868 58.787 58.200 -0.469 0.000 1.187 188 S CB -1.647 61.189 63.200 -0.606 0.000 0.914 188 S HN 0.910 nan 8.310 nan 0.000 0.480 189 N N -2.005 116.630 118.700 -0.108 0.000 2.708 189 N HA -0.239 5.024 4.740 0.871 0.000 0.251 189 N C 0.929 176.432 175.510 -0.013 0.000 1.123 189 N CA 1.643 54.666 53.050 -0.046 0.000 0.739 189 N CB -1.943 36.510 38.487 -0.056 0.000 1.113 189 N HN 0.985 nan 8.380 nan 0.000 0.561 190 T N -4.118 110.444 114.554 0.012 0.000 3.067 190 T HA 0.294 5.166 4.350 0.871 0.000 0.261 190 T C 1.561 176.293 174.700 0.054 0.000 1.110 190 T CA 1.238 63.364 62.100 0.043 0.000 1.113 190 T CB 0.316 69.236 68.868 0.087 0.000 0.917 190 T HN 0.661 nan 8.240 nan 0.000 0.499 191 G N 1.063 109.900 108.800 0.062 0.000 2.148 191 G HA2 -0.189 4.294 3.960 0.871 0.000 0.254 191 G HA3 -0.189 4.294 3.960 0.871 0.000 0.254 191 G C -0.133 174.817 174.900 0.083 0.000 0.981 191 G CA 0.452 45.591 45.100 0.065 0.000 0.670 191 G HN 0.650 nan 8.290 nan 0.000 0.528 192 L N 0.212 121.496 121.223 0.102 0.000 2.327 192 L HA 0.616 5.479 4.340 0.871 0.000 0.258 192 L C -2.074 174.863 176.870 0.112 0.000 1.024 192 L CA -2.678 52.218 54.840 0.095 0.000 0.825 192 L CB 2.424 44.529 42.059 0.077 0.000 1.386 192 L HN -0.133 nan 8.230 nan 0.000 0.417 193 P HA 0.008 nan 4.420 nan 0.000 0.274 193 P C -1.135 176.142 177.300 -0.037 0.000 1.256 193 P CA -0.285 62.809 63.100 -0.010 0.000 0.795 193 P CB 0.617 32.264 31.700 -0.088 0.000 1.038 194 D N 1.684 121.953 120.400 -0.218 0.000 2.412 194 D HA 0.007 5.170 4.640 0.871 0.000 0.257 194 D C -1.046 175.092 176.300 -0.270 0.000 1.217 194 D CA -1.848 51.823 54.000 -0.548 0.000 0.897 194 D CB 0.263 40.461 40.800 -1.004 0.000 1.132 194 D HN 0.181 nan 8.370 nan 0.000 0.493 195 P HA -0.129 nan 4.420 nan 0.000 0.225 195 P C 0.868 178.124 177.300 -0.073 0.000 1.148 195 P CA 0.965 64.022 63.100 -0.072 0.000 0.779 195 P CB -0.081 31.611 31.700 -0.014 0.000 0.780 196 T N -3.607 110.877 114.554 -0.117 0.000 3.129 196 T HA 0.148 5.021 4.350 0.871 0.000 0.251 196 T C 0.581 175.249 174.700 -0.054 0.000 1.117 196 T CA -0.345 61.717 62.100 -0.064 0.000 1.034 196 T CB -0.544 68.293 68.868 -0.052 0.000 0.968 196 T HN -0.089 nan 8.240 nan 0.000 0.526 197 L N 3.194 124.365 121.223 -0.087 0.000 2.264 197 L HA 0.423 5.286 4.340 0.871 0.000 0.289 197 L C 0.011 176.876 176.870 -0.008 0.000 1.044 197 L CA -0.917 53.894 54.840 -0.047 0.000 0.807 197 L CB 0.783 42.777 42.059 -0.108 0.000 1.192 197 L HN 0.165 nan 8.230 nan 0.000 0.425 198 N N 2.488 121.215 118.700 0.045 0.000 2.294 198 N HA -0.137 5.126 4.740 0.871 0.000 0.263 198 N C 0.944 176.482 175.510 0.045 0.000 1.281 198 N CA 0.929 54.008 53.050 0.047 0.000 0.846 198 N CB 1.049 39.572 38.487 0.059 0.000 1.061 198 N HN 0.890 nan 8.380 nan 0.000 0.478 199 T N 0.720 115.285 114.554 0.018 0.000 2.833 199 T HA -0.132 4.741 4.350 0.871 0.000 0.269 199 T C 1.686 176.397 174.700 0.019 0.000 1.054 199 T CA 1.713 63.816 62.100 0.005 0.000 1.135 199 T CB -0.357 68.511 68.868 0.000 0.000 0.869 199 T HN 0.517 nan 8.240 nan 0.000 0.466 200 T N 0.558 115.137 114.554 0.041 0.000 2.857 200 T HA 0.012 4.885 4.350 0.871 0.000 0.266 200 T C 1.449 176.211 174.700 0.104 0.000 1.048 200 T CA 0.918 63.048 62.100 0.051 0.000 1.139 200 T CB -0.497 68.395 68.868 0.041 0.000 0.874 200 T HN 0.451 nan 8.240 nan 0.000 0.455 201 Y N 1.760 122.034 120.300 -0.043 0.000 2.373 201 Y HA 0.074 5.147 4.550 0.872 0.000 0.293 201 Y C 1.984 177.849 175.900 -0.058 0.000 1.129 201 Y CA -0.044 58.027 58.100 -0.049 0.000 1.226 201 Y CB -0.657 37.770 38.460 -0.055 0.000 1.000 201 Y HN 0.116 nan 8.280 nan 0.000 0.549 202 L N 0.354 121.540 121.223 -0.062 0.000 2.046 202 L HA -0.230 4.633 4.340 0.871 0.000 0.208 202 L C 2.094 178.872 176.870 -0.153 0.000 1.077 202 L CA 1.902 56.639 54.840 -0.172 0.000 0.747 202 L CB -0.792 41.197 42.059 -0.117 0.000 0.896 202 L HN 0.130 nan 8.230 nan 0.000 0.432 203 Q N -0.646 119.113 119.800 -0.070 0.000 2.084 203 Q HA -0.149 4.714 4.340 0.871 0.000 0.202 203 Q C 2.219 178.191 176.000 -0.046 0.000 0.978 203 Q CA 2.202 57.980 55.803 -0.041 0.000 0.844 203 Q CB -1.124 27.610 28.738 -0.006 0.000 0.898 203 Q HN 0.548 nan 8.270 nan 0.000 0.426 204 T N 2.086 116.617 114.554 -0.039 0.000 2.708 204 T HA -0.073 4.800 4.350 0.871 0.000 0.266 204 T C 2.081 176.718 174.700 -0.105 0.000 1.037 204 T CA 0.934 63.017 62.100 -0.028 0.000 1.146 204 T CB -0.280 68.629 68.868 0.068 0.000 0.865 204 T HN 0.157 nan 8.240 nan 0.000 0.435 205 L N 0.293 121.366 121.223 -0.250 0.000 2.083 205 L HA -0.066 4.797 4.340 0.871 0.000 0.209 205 L C 2.863 179.636 176.870 -0.161 0.000 1.083 205 L CA 1.290 55.960 54.840 -0.283 0.000 0.752 205 L CB -0.472 41.306 42.059 -0.469 0.000 0.899 205 L HN 0.167 nan 8.230 nan 0.000 0.433 206 R N -0.197 120.221 120.500 -0.137 0.000 2.115 206 R HA -0.091 4.772 4.340 0.871 0.000 0.230 206 R C 2.343 178.667 176.300 0.041 0.000 1.111 206 R CA 1.117 57.202 56.100 -0.025 0.000 0.976 206 R CB -0.514 29.782 30.300 -0.007 0.000 0.870 206 R HN 0.418 nan 8.270 nan 0.000 0.445 207 G N 0.584 109.384 108.800 -0.000 0.000 2.421 207 G HA2 -0.164 4.319 3.960 0.871 0.000 0.217 207 G HA3 -0.164 4.319 3.960 0.871 0.000 0.217 207 G C 1.361 176.264 174.900 0.004 0.000 1.143 207 G CA 0.248 45.354 45.100 0.010 0.000 0.784 207 G HN 0.134 nan 8.290 nan 0.000 0.541 208 L N -0.406 120.808 121.223 -0.015 0.000 2.270 208 L HA 0.163 5.025 4.340 0.871 0.000 0.210 208 L C 0.555 177.419 176.870 -0.010 0.000 1.104 208 L CA 0.172 55.001 54.840 -0.019 0.000 0.804 208 L CB 0.232 42.267 42.059 -0.040 0.000 0.937 208 L HN 0.119 nan 8.230 nan 0.000 0.450 209 c N 1.105 119.709 118.600 0.006 0.000 3.169 209 c HA 0.340 5.433 4.570 0.871 0.000 0.232 209 c C -2.080 172.096 174.090 0.144 0.000 1.316 209 c CA -1.555 54.800 56.329 0.043 0.000 1.545 209 c CB -0.234 42.288 42.510 0.020 0.000 1.785 209 c HN 0.110 nan 8.230 nan 0.000 0.454 210 P HA 0.080 nan 4.420 nan 0.000 0.272 210 P C -0.210 177.070 177.300 -0.034 0.000 1.223 210 P CA -0.124 63.024 63.100 0.080 0.000 0.784 210 P CB 0.957 32.666 31.700 0.014 0.000 0.923 211 L N 3.551 124.588 121.223 -0.310 0.000 2.499 211 L HA 0.065 4.928 4.340 0.871 0.000 0.273 211 L C 0.942 177.683 176.870 -0.215 0.000 1.195 211 L CA 0.942 55.492 54.840 -0.484 0.000 0.882 211 L CB -1.116 40.472 42.059 -0.784 0.000 1.133 211 L HN 0.476 nan 8.230 nan 0.000 0.483 212 N N 1.962 120.574 118.700 -0.146 0.000 2.901 212 N HA -0.148 5.115 4.740 0.871 0.000 0.248 212 N C 0.286 175.760 175.510 -0.061 0.000 1.044 212 N CA 0.964 53.960 53.050 -0.090 0.000 0.847 212 N CB -1.595 36.837 38.487 -0.090 0.000 1.127 212 N HN 0.844 nan 8.380 nan 0.000 0.562 213 G N 0.354 109.124 108.800 -0.050 0.000 2.531 213 G HA2 0.354 4.837 3.960 0.871 0.000 0.281 213 G HA3 0.354 4.837 3.960 0.871 0.000 0.281 213 G C 0.165 175.048 174.900 -0.028 0.000 1.382 213 G CA -0.179 44.903 45.100 -0.031 0.000 1.045 213 G HN 0.220 nan 8.290 nan 0.000 0.533 214 N N -0.003 118.683 118.700 -0.024 0.000 2.416 214 N HA 0.080 5.343 4.740 0.871 0.000 0.265 214 N C 1.389 176.877 175.510 -0.037 0.000 1.195 214 N CA -0.089 52.944 53.050 -0.028 0.000 0.943 214 N CB 0.502 38.975 38.487 -0.022 0.000 1.115 214 N HN 0.317 nan 8.380 nan 0.000 0.481 215 L N 1.784 122.977 121.223 -0.049 0.000 2.376 215 L HA -0.019 4.844 4.340 0.871 0.000 0.219 215 L C 1.372 178.181 176.870 -0.102 0.000 1.133 215 L CA 0.542 55.335 54.840 -0.078 0.000 0.816 215 L CB -0.118 41.886 42.059 -0.091 0.000 0.933 215 L HN 0.480 nan 8.230 nan 0.000 0.449 216 S N -0.084 115.574 115.700 -0.070 0.000 2.575 216 S HA 0.233 5.226 4.470 0.871 0.000 0.215 216 S C 1.032 175.606 174.600 -0.043 0.000 0.966 216 S CA -0.130 58.034 58.200 -0.060 0.000 0.911 216 S CB -0.021 63.159 63.200 -0.032 0.000 0.780 216 S HN 0.347 nan 8.310 nan 0.000 0.514 217 A N 1.756 124.550 122.820 -0.043 0.000 2.511 217 A HA 0.373 5.216 4.320 0.871 0.000 0.242 217 A C 0.057 177.618 177.584 -0.040 0.000 1.069 217 A CA 0.029 52.047 52.037 -0.033 0.000 0.763 217 A CB -0.092 18.890 19.000 -0.030 0.000 1.001 217 A HN 0.472 nan 8.150 nan 0.000 0.498 218 L N 2.919 124.124 121.223 -0.030 0.000 2.326 218 L HA 0.491 5.354 4.340 0.871 0.000 0.278 218 L C -0.339 176.502 176.870 -0.049 0.000 1.092 218 L CA -0.491 54.327 54.840 -0.037 0.000 0.810 218 L CB 1.222 43.270 42.059 -0.018 0.000 1.153 218 L HN 0.431 nan 8.230 nan 0.000 0.439 219 V N 1.404 121.268 119.914 -0.085 0.000 2.735 219 V HA 0.282 4.925 4.120 0.871 0.000 0.310 219 V C -0.575 175.452 176.094 -0.113 0.000 1.061 219 V CA -0.984 61.263 62.300 -0.089 0.000 0.913 219 V CB 2.297 34.050 31.823 -0.116 0.000 1.005 219 V HN 0.612 nan 8.190 nan 0.000 0.428 220 D N 2.183 122.563 120.400 -0.033 0.000 2.389 220 D HA 0.164 5.327 4.640 0.871 0.000 0.247 220 D C 0.587 176.907 176.300 0.034 0.000 1.128 220 D CA 0.114 54.129 54.000 0.024 0.000 0.884 220 D CB 1.215 42.061 40.800 0.078 0.000 1.194 220 D HN 0.399 nan 8.370 nan 0.000 0.441 221 F N 0.547 120.525 119.950 0.047 0.000 2.186 221 F HA -0.138 4.905 4.527 0.859 0.000 0.299 221 F C 1.370 177.229 175.800 0.098 0.000 1.090 221 F CA 0.925 58.953 58.000 0.046 0.000 1.307 221 F CB 0.203 39.203 39.000 0.000 0.000 1.019 221 F HN 0.198 nan 8.300 nan 0.000 0.489 222 D N 0.162 120.731 120.400 0.281 0.000 2.441 222 D HA 0.149 5.312 4.640 0.871 0.000 0.231 222 D C 0.951 177.305 176.300 0.090 0.000 1.073 222 D CA -0.233 53.864 54.000 0.160 0.000 0.850 222 D CB 0.886 41.765 40.800 0.131 0.000 1.062 222 D HN 0.231 nan 8.370 nan 0.000 0.524 223 L N 1.928 123.168 121.223 0.028 0.000 2.376 223 L HA 0.136 4.999 4.340 0.871 0.000 0.219 223 L C 1.714 178.568 176.870 -0.027 0.000 1.133 223 L CA 0.396 55.235 54.840 -0.001 0.000 0.816 223 L CB 0.094 42.087 42.059 -0.110 0.000 0.933 223 L HN 0.128 nan 8.230 nan 0.000 0.449 224 R N 0.919 121.395 120.500 -0.040 0.000 2.048 224 R HA 0.071 4.934 4.340 0.871 0.000 0.224 224 R C 0.439 176.740 176.300 0.001 0.000 1.163 224 R CA 1.475 57.554 56.100 -0.036 0.000 0.956 224 R CB -0.164 30.100 30.300 -0.060 0.000 0.849 224 R HN 0.530 nan 8.270 nan 0.000 0.435 225 T N -1.607 112.958 114.554 0.018 0.000 3.226 225 T HA 0.307 5.180 4.350 0.871 0.000 0.378 225 T C -2.506 172.243 174.700 0.083 0.000 1.380 225 T CA -1.848 60.279 62.100 0.045 0.000 1.396 225 T CB 1.668 70.559 68.868 0.038 0.000 1.044 225 T HN -0.159 nan 8.240 nan 0.000 0.586 226 P HA -0.155 nan 4.420 nan 0.000 0.217 226 P C 1.548 178.964 177.300 0.193 0.000 1.151 226 P CA 1.561 64.742 63.100 0.136 0.000 0.849 226 P CB 0.060 31.820 31.700 0.100 0.000 0.787 227 T N -5.619 109.043 114.554 0.181 0.000 3.044 227 T HA 0.288 5.161 4.350 0.871 0.000 0.260 227 T C 0.463 175.334 174.700 0.286 0.000 1.019 227 T CA -0.200 62.046 62.100 0.244 0.000 0.921 227 T CB -0.450 68.515 68.868 0.161 0.000 1.053 227 T HN -0.087 nan 8.240 nan 0.000 0.533 228 I N 1.796 122.483 120.570 0.196 0.000 2.359 228 I HA 0.426 5.118 4.170 0.871 0.000 0.294 228 I C -0.712 175.440 176.117 0.059 0.000 0.987 228 I CA -1.307 60.081 61.300 0.146 0.000 1.225 228 I CB 1.432 39.496 38.000 0.107 0.000 1.366 228 I HN 0.081 nan 8.210 nan 0.000 0.466 229 F N 7.593 127.450 119.950 -0.154 0.000 2.439 229 F HA 0.213 5.263 4.527 0.870 0.000 0.356 229 F C -0.090 175.718 175.800 0.012 0.000 1.161 229 F CA -0.134 57.667 58.000 -0.333 0.000 1.151 229 F CB -0.250 38.389 39.000 -0.602 0.000 1.222 229 F HN 0.557 nan 8.300 nan 0.000 0.558 230 D N 2.436 122.808 120.400 -0.047 0.000 2.812 230 D HA 0.156 5.319 4.640 0.871 0.000 0.318 230 D C -0.170 176.183 176.300 0.088 0.000 1.234 230 D CA -0.744 53.381 54.000 0.209 0.000 0.989 230 D CB 0.167 41.032 40.800 0.108 0.000 1.442 230 D HN 0.228 nan 8.370 nan 0.000 0.537 231 N N -0.359 118.397 118.700 0.093 0.000 2.370 231 N HA -0.053 5.210 4.740 0.871 0.000 0.198 231 N C 0.468 175.950 175.510 -0.046 0.000 1.156 231 N CA -0.101 52.937 53.050 -0.020 0.000 0.839 231 N CB 0.056 38.581 38.487 0.064 0.000 0.989 231 N HN 0.181 nan 8.380 nan 0.000 0.468 232 K N 0.401 120.757 120.400 -0.075 0.000 2.209 232 K HA -0.169 4.674 4.320 0.871 0.000 0.204 232 K C 1.327 177.842 176.600 -0.141 0.000 1.048 232 K CA 0.616 56.850 56.287 -0.087 0.000 0.940 232 K CB -0.749 31.713 32.500 -0.064 0.000 0.729 232 K HN 0.392 nan 8.250 nan 0.000 0.451 233 Y N 0.864 120.943 120.300 -0.369 0.000 2.151 233 Y HA -0.316 4.755 4.550 0.867 0.000 0.284 233 Y C 1.823 177.407 175.900 -0.527 0.000 1.166 233 Y CA 1.640 59.444 58.100 -0.493 0.000 1.163 233 Y CB -0.463 37.542 38.460 -0.758 0.000 0.974 233 Y HN 0.012 nan 8.280 nan 0.000 0.511 234 Y N -1.266 118.844 120.300 -0.317 0.000 2.314 234 Y HA -0.122 4.952 4.550 0.873 0.000 0.293 234 Y C 2.555 178.234 175.900 -0.368 0.000 1.129 234 Y CA 1.283 59.158 58.100 -0.376 0.000 1.201 234 Y CB -0.889 37.449 38.460 -0.203 0.000 0.999 234 Y HN -0.035 nan 8.280 nan 0.000 0.541 235 V N 0.563 120.382 119.914 -0.158 0.000 2.407 235 V HA -0.288 4.355 4.120 0.871 0.000 0.248 235 V C 1.856 177.790 176.094 -0.267 0.000 1.055 235 V CA 1.878 64.067 62.300 -0.185 0.000 1.049 235 V CB -0.542 31.202 31.823 -0.131 0.000 0.662 235 V HN 0.467 nan 8.190 nan 0.000 0.455 236 N N 0.453 118.971 118.700 -0.303 0.000 2.120 236 N HA -0.097 5.166 4.740 0.871 0.000 0.188 236 N C 1.826 177.113 175.510 -0.371 0.000 1.024 236 N CA 1.336 54.190 53.050 -0.326 0.000 0.852 236 N CB -0.481 37.816 38.487 -0.317 0.000 1.003 236 N HN 0.383 nan 8.380 nan 0.000 0.424 237 L N 1.364 122.301 121.223 -0.477 0.000 2.042 237 L HA -0.143 4.720 4.340 0.871 0.000 0.210 237 L C 1.992 178.444 176.870 -0.697 0.000 1.076 237 L CA 1.261 55.804 54.840 -0.494 0.000 0.749 237 L CB -0.508 41.243 42.059 -0.512 0.000 0.893 237 L HN 0.228 nan 8.230 nan 0.000 0.432 238 E N 0.143 119.854 120.200 -0.816 0.000 2.265 238 E HA -0.195 4.678 4.350 0.871 0.000 0.196 238 E C 1.320 177.649 176.600 -0.452 0.000 0.996 238 E CA 0.880 56.689 56.400 -0.985 0.000 0.832 238 E CB 0.030 29.385 29.700 -0.575 0.000 0.756 238 E HN 0.591 nan 8.360 nan 0.000 0.491 239 E N 0.218 120.229 120.200 -0.314 0.000 2.476 239 E HA 0.007 4.880 4.350 0.871 0.000 0.196 239 E C -0.295 176.234 176.600 -0.118 0.000 1.029 239 E CA -0.084 56.211 56.400 -0.174 0.000 0.896 239 E CB 0.599 30.194 29.700 -0.175 0.000 1.012 239 E HN 0.064 nan 8.360 nan 0.000 0.475 240 Q N -0.236 119.494 119.800 -0.116 0.000 2.502 240 Q HA -0.197 4.666 4.340 0.871 0.000 0.273 240 Q C -0.096 175.890 176.000 -0.023 0.000 1.127 240 Q CA 0.897 56.682 55.803 -0.031 0.000 0.952 240 Q CB -2.118 26.629 28.738 0.014 0.000 1.333 240 Q HN 0.339 nan 8.270 nan 0.000 0.494 241 K N -0.150 120.187 120.400 -0.106 0.000 2.618 241 K HA 0.296 5.139 4.320 0.871 0.000 0.207 241 K C 0.823 177.406 176.600 -0.029 0.000 1.058 241 K CA 0.349 56.571 56.287 -0.109 0.000 1.086 241 K CB 0.930 33.154 32.500 -0.460 0.000 0.827 241 K HN 0.261 nan 8.250 nan 0.000 0.481 242 G N 0.887 109.676 108.800 -0.018 0.000 2.442 242 G HA2 0.064 4.547 3.960 0.871 0.000 0.249 242 G HA3 0.064 4.547 3.960 0.871 0.000 0.249 242 G C 0.675 175.673 174.900 0.163 0.000 1.263 242 G CA -0.449 44.657 45.100 0.009 0.000 0.846 242 G HN 0.142 nan 8.290 nan 0.000 0.555 243 L N 2.984 124.342 121.223 0.225 0.000 2.007 243 L HA 0.236 5.099 4.340 0.871 0.000 0.205 243 L C 1.548 178.480 176.870 0.102 0.000 1.073 243 L CA 1.243 56.185 54.840 0.171 0.000 0.744 243 L CB -0.466 41.661 42.059 0.113 0.000 0.898 243 L HN 0.648 nan 8.230 nan 0.000 0.435 244 I N -3.097 117.576 120.570 0.171 0.000 2.664 244 I HA 0.210 4.903 4.170 0.871 0.000 0.308 244 I C 1.279 177.496 176.117 0.166 0.000 0.984 244 I CA -0.562 60.835 61.300 0.162 0.000 1.213 244 I CB 0.979 39.099 38.000 0.199 0.000 1.379 244 I HN 0.329 nan 8.210 nan 0.000 0.501 245 Q N 2.529 122.436 119.800 0.179 0.000 2.096 245 Q HA -0.238 4.625 4.340 0.871 0.000 0.208 245 Q C 1.981 178.096 176.000 0.192 0.000 0.993 245 Q CA 3.305 59.224 55.803 0.193 0.000 0.862 245 Q CB -0.083 28.856 28.738 0.335 0.000 0.915 245 Q HN 0.966 nan 8.270 nan 0.000 0.416 246 S N 0.050 115.869 115.700 0.198 0.000 2.419 246 S HA -0.173 4.819 4.470 0.871 0.000 0.235 246 S C 1.247 175.957 174.600 0.184 0.000 1.019 246 S CA 1.284 59.592 58.200 0.180 0.000 0.982 246 S CB -0.238 63.048 63.200 0.143 0.000 0.789 246 S HN 0.413 nan 8.310 nan 0.000 0.490 247 D N 1.447 121.980 120.400 0.221 0.000 2.085 247 D HA -0.046 5.117 4.640 0.871 0.000 0.199 247 D C 2.143 178.515 176.300 0.120 0.000 0.981 247 D CA 1.286 55.432 54.000 0.242 0.000 0.834 247 D CB -0.663 40.321 40.800 0.305 0.000 0.992 247 D HN 0.362 nan 8.370 nan 0.000 0.457 248 Q N 1.017 120.874 119.800 0.095 0.000 2.226 248 Q HA -0.131 4.732 4.340 0.871 0.000 0.204 248 Q C 1.671 177.738 176.000 0.111 0.000 0.975 248 Q CA 1.127 56.974 55.803 0.074 0.000 0.866 248 Q CB -0.103 28.665 28.738 0.051 0.000 0.915 248 Q HN 0.298 nan 8.270 nan 0.000 0.440 249 E N -0.254 120.015 120.200 0.115 0.000 2.204 249 E HA -0.152 4.720 4.350 0.871 0.000 0.195 249 E C 1.827 178.485 176.600 0.097 0.000 0.990 249 E CA 0.849 57.313 56.400 0.108 0.000 0.821 249 E CB -0.114 29.661 29.700 0.125 0.000 0.750 249 E HN 0.458 nan 8.360 nan 0.000 0.477 250 L N -0.487 120.805 121.223 0.115 0.000 2.191 250 L HA -0.144 4.719 4.340 0.871 0.000 0.212 250 L C 2.186 179.145 176.870 0.148 0.000 1.103 250 L CA 0.955 55.863 54.840 0.114 0.000 0.769 250 L CB -0.241 41.903 42.059 0.142 0.000 0.908 250 L HN 0.076 nan 8.230 nan 0.000 0.438 251 F N -1.180 118.760 119.950 -0.016 0.000 2.637 251 F HA 0.094 5.143 4.527 0.869 0.000 0.284 251 F C 2.135 177.920 175.800 -0.025 0.000 1.105 251 F CA 0.386 58.367 58.000 -0.032 0.000 1.356 251 F CB 0.397 39.366 39.000 -0.051 0.000 1.096 251 F HN -0.185 nan 8.300 nan 0.000 0.616 252 S N -0.974 114.745 115.700 0.031 0.000 2.523 252 S HA 0.113 5.106 4.470 0.871 0.000 0.217 252 S C 0.684 175.262 174.600 -0.037 0.000 0.996 252 S CA 0.048 58.221 58.200 -0.044 0.000 0.921 252 S CB -0.064 63.166 63.200 0.050 0.000 0.829 252 S HN 0.208 nan 8.310 nan 0.000 0.495 253 S N 2.506 118.200 115.700 -0.009 0.000 2.572 253 S HA 0.177 5.170 4.470 0.871 0.000 0.279 253 S C -1.909 172.677 174.600 -0.023 0.000 1.341 253 S CA -1.208 56.997 58.200 0.008 0.000 1.043 253 S CB 0.759 63.978 63.200 0.032 0.000 0.887 253 S HN -0.016 nan 8.310 nan 0.000 0.516 254 P HA -0.019 nan 4.420 nan 0.000 0.225 254 P C 0.676 177.962 177.300 -0.023 0.000 1.148 254 P CA 0.733 63.821 63.100 -0.020 0.000 0.779 254 P CB -0.006 31.692 31.700 -0.003 0.000 0.780 255 N N -0.480 118.213 118.700 -0.012 0.000 2.268 255 N HA 0.085 5.348 4.740 0.871 0.000 0.204 255 N C 0.729 176.226 175.510 -0.021 0.000 1.124 255 N CA -0.061 52.983 53.050 -0.011 0.000 0.838 255 N CB 0.149 38.639 38.487 0.004 0.000 0.994 255 N HN -0.063 nan 8.380 nan 0.000 0.489 256 A N -0.177 122.619 122.820 -0.039 0.000 2.327 256 A HA 0.110 4.953 4.320 0.871 0.000 0.228 256 A C 1.677 179.217 177.584 -0.074 0.000 1.275 256 A CA 0.077 52.082 52.037 -0.053 0.000 0.875 256 A CB -0.375 18.580 19.000 -0.075 0.000 0.925 256 A HN 0.210 nan 8.150 nan 0.000 0.493 257 T N 1.391 115.907 114.554 -0.063 0.000 2.737 257 T HA -0.171 4.701 4.350 0.871 0.000 0.269 257 T C 1.628 176.293 174.700 -0.059 0.000 1.040 257 T CA 1.868 63.929 62.100 -0.065 0.000 1.142 257 T CB -0.268 68.571 68.868 -0.048 0.000 0.861 257 T HN 0.875 nan 8.240 nan 0.000 0.456 258 D N 0.803 121.176 120.400 -0.046 0.000 2.333 258 D HA -0.038 5.125 4.640 0.871 0.000 0.208 258 D C 2.013 178.281 176.300 -0.053 0.000 0.984 258 D CA 1.202 55.177 54.000 -0.043 0.000 0.873 258 D CB -0.670 40.113 40.800 -0.027 0.000 0.935 258 D HN 0.538 nan 8.370 nan 0.000 0.521 259 T N -1.277 113.247 114.554 -0.049 0.000 3.031 259 T HA 0.153 5.026 4.350 0.871 0.000 0.254 259 T C 2.353 177.023 174.700 -0.049 0.000 1.060 259 T CA -0.042 62.030 62.100 -0.047 0.000 1.135 259 T CB -0.487 68.374 68.868 -0.012 0.000 0.896 259 T HN 0.062 nan 8.240 nan 0.000 0.472 260 I N 2.855 123.393 120.570 -0.054 0.000 2.151 260 I HA -0.116 4.577 4.170 0.871 0.000 0.243 260 I C -0.172 175.931 176.117 -0.024 0.000 1.080 260 I CA 1.595 62.875 61.300 -0.033 0.000 1.339 260 I CB -1.135 36.758 38.000 -0.178 0.000 1.039 260 I HN 0.255 nan 8.210 nan 0.000 0.409 261 P HA -0.176 nan 4.420 nan 0.000 0.216 261 P C 1.941 179.123 177.300 -0.198 0.000 1.150 261 P CA 1.682 64.724 63.100 -0.098 0.000 0.837 261 P CB -0.047 31.601 31.700 -0.087 0.000 0.786 262 L N -0.817 120.232 121.223 -0.290 0.000 2.027 262 L HA -0.112 4.751 4.340 0.871 0.000 0.206 262 L C 2.829 179.180 176.870 -0.864 0.000 1.074 262 L CA 1.132 55.583 54.840 -0.650 0.000 0.745 262 L CB -1.163 40.553 42.059 -0.572 0.000 0.898 262 L HN -0.177 nan 8.230 nan 0.000 0.433 263 V N 0.039 119.715 119.914 -0.397 0.000 2.287 263 V HA -0.321 4.321 4.120 0.871 0.000 0.248 263 V C 2.658 178.636 176.094 -0.193 0.000 1.053 263 V CA 1.885 64.064 62.300 -0.201 0.000 1.027 263 V CB -0.638 31.262 31.823 0.127 0.000 0.646 263 V HN 0.415 nan 8.190 nan 0.000 0.447 264 R N -0.283 120.158 120.500 -0.099 0.000 2.081 264 R HA -0.154 4.709 4.340 0.871 0.000 0.235 264 R C 2.677 178.919 176.300 -0.097 0.000 1.131 264 R CA 1.630 57.695 56.100 -0.058 0.000 0.960 264 R CB -0.604 29.704 30.300 0.013 0.000 0.856 264 R HN 0.501 nan 8.270 nan 0.000 0.436 265 S N 0.156 115.755 115.700 -0.169 0.000 2.368 265 S HA -0.119 4.874 4.470 0.871 0.000 0.225 265 S C 1.657 176.298 174.600 0.068 0.000 1.030 265 S CA 1.112 59.261 58.200 -0.084 0.000 0.999 265 S CB -0.136 62.982 63.200 -0.136 0.000 0.844 265 S HN 0.203 nan 8.310 nan 0.000 0.459 266 F N 1.722 121.530 119.950 -0.237 0.000 2.259 266 F HA 0.297 5.346 4.527 0.869 0.000 0.298 266 F C 2.634 178.279 175.800 -0.258 0.000 1.088 266 F CA 0.050 57.836 58.000 -0.356 0.000 1.358 266 F CB -1.502 36.879 39.000 -1.032 0.000 1.040 266 F HN 0.301 nan 8.300 nan 0.000 0.505 267 A N -0.100 122.713 122.820 -0.011 0.000 1.970 267 A HA -0.166 4.677 4.320 0.871 0.000 0.216 267 A C 2.044 179.623 177.584 -0.007 0.000 1.170 267 A CA 1.603 53.648 52.037 0.013 0.000 0.645 267 A CB -0.906 18.076 19.000 -0.030 0.000 0.816 267 A HN 0.377 nan 8.150 nan 0.000 0.447 268 N N -0.721 117.976 118.700 -0.005 0.000 2.250 268 N HA -0.027 5.236 4.740 0.871 0.000 0.181 268 N C 0.325 175.835 175.510 -0.001 0.000 1.017 268 N CA 1.264 54.310 53.050 -0.007 0.000 0.866 268 N CB 0.073 38.556 38.487 -0.006 0.000 0.985 268 N HN 0.259 nan 8.380 nan 0.000 0.429 269 S N -1.697 114.015 115.700 0.021 0.000 2.672 269 S HA 0.301 5.294 4.470 0.871 0.000 0.291 269 S C 0.475 175.062 174.600 -0.021 0.000 1.145 269 S CA -0.725 57.475 58.200 -0.000 0.000 1.013 269 S CB 1.123 64.332 63.200 0.015 0.000 1.017 269 S HN 0.194 nan 8.310 nan 0.000 0.487 270 T N 3.604 118.093 114.554 -0.108 0.000 2.746 270 T HA -0.125 4.747 4.350 0.871 0.000 0.267 270 T C 1.800 176.274 174.700 -0.377 0.000 1.039 270 T CA 1.785 63.719 62.100 -0.276 0.000 1.142 270 T CB -0.272 68.357 68.868 -0.398 0.000 0.866 270 T HN 0.651 nan 8.240 nan 0.000 0.444 271 Q N 0.943 120.611 119.800 -0.219 0.000 2.084 271 Q HA -0.085 4.778 4.340 0.871 0.000 0.202 271 Q C 2.279 178.245 176.000 -0.056 0.000 0.978 271 Q CA 1.861 57.587 55.803 -0.129 0.000 0.844 271 Q CB -0.857 27.844 28.738 -0.061 0.000 0.898 271 Q HN 0.443 nan 8.270 nan 0.000 0.426 272 T N 0.504 115.050 114.554 -0.013 0.000 2.746 272 T HA -0.120 4.753 4.350 0.871 0.000 0.267 272 T C 1.263 175.929 174.700 -0.057 0.000 1.039 272 T CA 1.261 63.389 62.100 0.046 0.000 1.142 272 T CB -0.499 68.464 68.868 0.157 0.000 0.866 272 T HN 0.384 nan 8.240 nan 0.000 0.444 273 F N 1.705 121.479 119.950 -0.294 0.000 2.084 273 F HA 0.011 5.060 4.527 0.871 0.000 0.296 273 F C 1.736 177.444 175.800 -0.153 0.000 1.111 273 F CA 0.646 58.275 58.000 -0.619 0.000 1.224 273 F CB -0.792 38.001 39.000 -0.345 0.000 0.991 273 F HN 0.048 nan 8.300 nan 0.000 0.471 274 F N 1.383 121.003 119.950 -0.549 0.000 2.161 274 F HA -0.219 4.831 4.527 0.871 0.000 0.300 274 F C 2.367 177.927 175.800 -0.401 0.000 1.089 274 F CA 1.321 58.995 58.000 -0.544 0.000 1.282 274 F CB -1.675 37.162 39.000 -0.272 0.000 1.010 274 F HN 0.090 nan 8.300 nan 0.000 0.485 275 N N 0.197 118.843 118.700 -0.090 0.000 2.142 275 N HA -0.111 5.152 4.740 0.871 0.000 0.186 275 N C 2.056 177.460 175.510 -0.177 0.000 1.023 275 N CA 1.482 54.456 53.050 -0.126 0.000 0.852 275 N CB -0.703 37.748 38.487 -0.060 0.000 0.998 275 N HN 0.224 nan 8.380 nan 0.000 0.424 276 A N -0.033 122.676 122.820 -0.186 0.000 1.969 276 A HA -0.068 4.775 4.320 0.871 0.000 0.218 276 A C 2.060 179.550 177.584 -0.157 0.000 1.169 276 A CA 0.660 52.615 52.037 -0.136 0.000 0.635 276 A CB -0.745 18.177 19.000 -0.130 0.000 0.810 276 A HN 0.275 nan 8.150 nan 0.000 0.445 277 F N 0.490 120.186 119.950 -0.423 0.000 2.113 277 F HA -0.110 4.938 4.527 0.868 0.000 0.297 277 F C 2.239 177.769 175.800 -0.449 0.000 1.103 277 F CA 1.773 59.541 58.000 -0.386 0.000 1.248 277 F CB -0.235 38.398 39.000 -0.612 0.000 0.999 277 F HN 0.026 nan 8.300 nan 0.000 0.475 278 V N 0.493 120.054 119.914 -0.588 0.000 2.295 278 V HA -0.307 4.335 4.120 0.871 0.000 0.246 278 V C 2.354 178.083 176.094 -0.608 0.000 1.049 278 V CA 2.187 63.896 62.300 -0.985 0.000 1.024 278 V CB -0.795 30.432 31.823 -0.993 0.000 0.648 278 V HN 0.383 nan 8.190 nan 0.000 0.447 279 E N 1.148 121.127 120.200 -0.369 0.000 2.038 279 E HA -0.234 4.639 4.350 0.871 0.000 0.195 279 E C 2.070 178.568 176.600 -0.169 0.000 1.000 279 E CA 2.119 58.394 56.400 -0.207 0.000 0.803 279 E CB -0.562 29.068 29.700 -0.117 0.000 0.750 279 E HN 0.496 nan 8.360 nan 0.000 0.448 280 A N 0.276 122.986 122.820 -0.184 0.000 1.930 280 A HA -0.104 4.739 4.320 0.871 0.000 0.217 280 A C 2.250 179.732 177.584 -0.170 0.000 1.175 280 A CA 1.672 53.637 52.037 -0.119 0.000 0.627 280 A CB -0.452 18.514 19.000 -0.057 0.000 0.815 280 A HN 0.320 nan 8.150 nan 0.000 0.443 281 M N 0.066 119.448 119.600 -0.364 0.000 2.117 281 M HA -0.137 4.866 4.480 0.871 0.000 0.262 281 M C 1.339 177.633 176.300 -0.010 0.000 1.065 281 M CA 1.528 56.681 55.300 -0.245 0.000 1.114 281 M CB -1.318 31.073 32.600 -0.348 0.000 1.361 281 M HN 0.345 nan 8.290 nan 0.000 0.408 282 D N -0.514 119.869 120.400 -0.029 0.000 2.178 282 D HA -0.091 5.072 4.640 0.871 0.000 0.202 282 D C 2.173 178.489 176.300 0.027 0.000 0.974 282 D CA 0.904 54.938 54.000 0.057 0.000 0.841 282 D CB -0.185 40.639 40.800 0.041 0.000 0.953 282 D HN 0.334 nan 8.370 nan 0.000 0.478 283 R N -0.011 120.485 120.500 -0.007 0.000 2.075 283 R HA -0.000 4.863 4.340 0.871 0.000 0.232 283 R C 2.348 178.648 176.300 0.001 0.000 1.126 283 R CA 0.864 56.963 56.100 -0.002 0.000 0.963 283 R CB -0.244 30.058 30.300 0.002 0.000 0.858 283 R HN 0.180 nan 8.270 nan 0.000 0.435 284 M N -0.137 119.471 119.600 0.014 0.000 2.159 284 M HA -0.061 4.942 4.480 0.871 0.000 0.263 284 M C 1.722 178.022 176.300 -0.000 0.000 1.063 284 M CA 1.984 57.291 55.300 0.011 0.000 1.110 284 M CB -0.055 32.584 32.600 0.065 0.000 1.374 284 M HN 0.236 nan 8.290 nan 0.000 0.411 285 G N -0.310 108.529 108.800 0.066 0.000 2.848 285 G HA2 -0.176 4.307 3.960 0.871 0.000 0.208 285 G HA3 -0.176 4.307 3.960 0.871 0.000 0.208 285 G C 0.855 175.781 174.900 0.044 0.000 1.152 285 G CA 0.439 45.606 45.100 0.111 0.000 0.789 285 G HN 0.503 nan 8.290 nan 0.000 0.531 286 N N -0.047 118.657 118.700 0.007 0.000 2.235 286 N HA 0.177 5.440 4.740 0.871 0.000 0.209 286 N C 0.251 175.734 175.510 -0.045 0.000 1.122 286 N CA -0.356 52.685 53.050 -0.016 0.000 0.845 286 N CB -0.016 38.464 38.487 -0.012 0.000 1.004 286 N HN 0.137 nan 8.380 nan 0.000 0.499 287 I N 1.770 122.301 120.570 -0.065 0.000 2.436 287 I HA -0.007 4.686 4.170 0.871 0.000 0.289 287 I C 0.405 176.461 176.117 -0.102 0.000 1.083 287 I CA -0.236 61.001 61.300 -0.105 0.000 1.372 287 I CB 0.247 38.149 38.000 -0.163 0.000 1.408 287 I HN 0.261 nan 8.210 nan 0.000 0.516 288 T N 4.488 118.983 114.554 -0.099 0.000 3.213 288 T HA -0.124 4.749 4.350 0.871 0.000 0.427 288 T C -1.981 172.671 174.700 -0.081 0.000 0.772 288 T CA -0.677 61.367 62.100 -0.094 0.000 2.150 288 T CB -1.827 66.969 68.868 -0.121 0.000 1.655 288 T HN 0.480 nan 8.240 nan 0.000 0.584 289 P HA 0.517 nan 4.420 nan 0.000 0.281 289 P C 0.229 177.496 177.300 -0.054 0.000 1.249 289 P CA -0.928 62.138 63.100 -0.057 0.000 0.810 289 P CB 1.034 32.697 31.700 -0.061 0.000 1.008 290 L N 2.238 123.435 121.223 -0.044 0.000 2.292 290 L HA 0.451 5.314 4.340 0.871 0.000 0.284 290 L C 1.198 178.038 176.870 -0.050 0.000 1.065 290 L CA 0.004 54.824 54.840 -0.034 0.000 0.806 290 L CB 1.149 43.200 42.059 -0.014 0.000 1.175 290 L HN 0.566 nan 8.230 nan 0.000 0.431 291 T N -1.064 113.462 114.554 -0.046 0.000 2.804 291 T HA 0.775 5.648 4.350 0.871 0.000 0.290 291 T C 0.475 175.163 174.700 -0.020 0.000 1.099 291 T CA -0.074 61.990 62.100 -0.061 0.000 1.011 291 T CB 1.722 70.543 68.868 -0.079 0.000 1.291 291 T HN 0.867 nan 8.240 nan 0.000 0.523 292 G N 1.258 110.057 108.800 -0.001 0.000 2.620 292 G HA2 -0.344 4.139 3.960 0.871 0.000 0.315 292 G HA3 -0.344 4.139 3.960 0.871 0.000 0.315 292 G C 0.944 175.870 174.900 0.042 0.000 1.179 292 G CA 1.853 46.973 45.100 0.034 0.000 0.971 292 G HN 2.081 nan 8.290 nan 0.000 0.544 293 T N -0.879 113.693 114.554 0.030 0.000 3.092 293 T HA 0.476 5.348 4.350 0.871 0.000 0.258 293 T C 0.800 175.515 174.700 0.024 0.000 1.031 293 T CA 0.936 63.055 62.100 0.031 0.000 0.925 293 T CB 0.294 69.178 68.868 0.027 0.000 1.036 293 T HN 0.743 nan 8.240 nan 0.000 0.544 294 Q N 1.539 121.348 119.800 0.015 0.000 2.352 294 Q HA 0.489 5.352 4.340 0.871 0.000 0.260 294 Q C 1.131 177.140 176.000 0.015 0.000 0.976 294 Q CA 0.371 56.180 55.803 0.011 0.000 0.881 294 Q CB 0.672 29.411 28.738 0.001 0.000 1.235 294 Q HN 0.583 nan 8.270 nan 0.000 0.419 295 G N 1.528 110.339 108.800 0.019 0.000 2.645 295 G HA2 -0.291 4.192 3.960 0.871 0.000 0.246 295 G HA3 -0.291 4.192 3.960 0.871 0.000 0.246 295 G C -0.581 174.336 174.900 0.029 0.000 1.322 295 G CA 0.204 45.318 45.100 0.023 0.000 0.898 295 G HN 0.815 nan 8.290 nan 0.000 0.573 296 Q N -2.147 117.673 119.800 0.033 0.000 2.687 296 Q HA 0.732 5.595 4.340 0.871 0.000 0.305 296 Q C -0.921 175.109 176.000 0.050 0.000 1.006 296 Q CA -1.210 54.618 55.803 0.041 0.000 0.763 296 Q CB 1.623 30.383 28.738 0.036 0.000 1.506 296 Q HN 0.641 nan 8.270 nan 0.000 0.459 297 I N 2.166 122.771 120.570 0.057 0.000 2.310 297 I HA 0.325 5.018 4.170 0.871 0.000 0.287 297 I C 0.097 176.243 176.117 0.047 0.000 1.073 297 I CA -0.321 61.019 61.300 0.066 0.000 1.216 297 I CB 0.415 38.464 38.000 0.082 0.000 1.415 297 I HN 0.656 nan 8.210 nan 0.000 0.480 298 R N 5.057 125.582 120.500 0.042 0.000 2.522 298 R HA 0.146 5.009 4.340 0.871 0.000 0.284 298 R C 0.797 177.114 176.300 0.028 0.000 1.032 298 R CA -0.048 56.072 56.100 0.034 0.000 1.049 298 R CB 0.786 31.107 30.300 0.035 0.000 0.956 298 R HN 0.592 nan 8.270 nan 0.000 0.422 299 L N 2.409 123.646 121.223 0.023 0.000 2.270 299 L HA 0.054 4.917 4.340 0.871 0.000 0.210 299 L C 0.816 177.694 176.870 0.014 0.000 1.104 299 L CA 0.410 55.260 54.840 0.017 0.000 0.804 299 L CB -0.182 41.886 42.059 0.014 0.000 0.937 299 L HN 0.564 nan 8.230 nan 0.000 0.450 300 N N -0.185 118.525 118.700 0.017 0.000 2.491 300 N HA 0.091 5.354 4.740 0.871 0.000 0.274 300 N C 0.720 176.244 175.510 0.023 0.000 1.023 300 N CA -0.429 52.631 53.050 0.017 0.000 0.902 300 N CB 1.540 40.034 38.487 0.011 0.000 1.267 300 N HN 0.121 nan 8.380 nan 0.000 0.503 301 C N 2.579 121.897 119.300 0.030 0.000 2.409 301 C HA 0.002 4.985 4.460 0.871 0.000 0.284 301 C C 2.025 177.033 174.990 0.031 0.000 1.354 301 C CA 0.207 59.248 59.018 0.040 0.000 1.787 301 C CB -0.932 26.843 27.740 0.059 0.000 1.900 301 C HN 0.669 nan 8.230 nan 0.000 0.520 302 R N 1.053 121.562 120.500 0.016 0.000 2.193 302 R HA 0.171 5.034 4.340 0.871 0.000 0.213 302 R C 0.645 176.948 176.300 0.005 0.000 1.055 302 R CA 1.082 57.178 56.100 -0.007 0.000 0.995 302 R CB -0.006 30.279 30.300 -0.025 0.000 0.893 302 R HN 0.683 nan 8.270 nan 0.000 0.459 303 V N -2.950 116.974 119.914 0.017 0.000 3.049 303 V HA 0.464 5.107 4.120 0.871 0.000 0.309 303 V C 0.070 176.187 176.094 0.038 0.000 1.148 303 V CA -1.547 60.770 62.300 0.028 0.000 0.990 303 V CB 1.729 33.553 31.823 0.002 0.000 1.039 303 V HN -0.108 nan 8.190 nan 0.000 0.430 304 V N 0.822 120.770 119.914 0.057 0.000 2.963 304 V HA 0.448 5.090 4.120 0.871 0.000 0.306 304 V C 0.462 176.575 176.094 0.032 0.000 1.077 304 V CA -0.329 62.001 62.300 0.050 0.000 1.124 304 V CB 0.185 32.049 31.823 0.070 0.000 0.987 304 V HN 0.964 nan 8.190 nan 0.000 0.487 305 N N 2.603 121.320 118.700 0.028 0.000 2.458 305 N HA 0.278 5.541 4.740 0.871 0.000 0.258 305 N C 0.135 175.656 175.510 0.017 0.000 1.219 305 N CA 0.543 53.606 53.050 0.021 0.000 0.902 305 N CB 0.974 39.475 38.487 0.022 0.000 1.076 305 N HN 1.148 nan 8.380 nan 0.000 0.455 306 S N 0.000 115.707 115.700 0.011 0.000 2.498 306 S HA 0.000 4.993 4.470 0.871 0.000 0.327 306 S CA 0.000 58.204 58.200 0.007 0.000 1.107 306 S CB 0.000 63.201 63.200 0.001 0.000 0.593 306 S HN 0.000 nan 8.310 nan 0.000 0.517