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 2jcz_1_A DATA FIRST_RESID 11 DATA SEQUENCE GRLRVVVLGS TGSIGTQALQ VIADNPDRFE VVGLAAGGAH LDTLLRQRAQ DATA SEQUENCE TGVTNIAVAD EHAAQRVGDI PYHGSDAATR LVEQTEADVV LNALVGALGL DATA SEQUENCE RPTLAALKTG ARLALANKES LVAGGSLVLR AARPGQIVPV DSEHSALAQC DATA SEQUENCE LRGGTPDEVA KLVLTASGGP FRGWSAADLE HVTPEQAGAH PTWSMGPMNT DATA SEQUENCE LNSASLVNKG LEVIETHLLF GIPYDRIDVV VHPQSIIHSM VTFIDGSTIA DATA SEQUENCE QASPPDMKLP ISLALGWPRR VSGAAAACDF HTASSWEFEP LDTDVFPAVE DATA SEQUENCE LARQAGVAGG CMTAVYNAAN EEAAAAFLAG RIGFPAIVGI IADVLHAADQ DATA SEQUENCE WAVEPATVDD VLDAQRWARE RAQRAVSGM 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 11 G HA2 0.000 nan 3.960 nan 0.000 0.244 11 G HA3 0.000 3.954 3.960 -0.010 0.000 0.244 11 G C 0.000 174.878 174.900 -0.036 0.000 0.946 11 G CA 0.000 45.086 45.100 -0.023 0.000 0.502 12 R N 0.325 120.808 120.500 -0.029 0.000 2.543 12 R HA 0.455 4.789 4.340 -0.010 0.000 0.277 12 R C 0.485 176.793 176.300 0.012 0.000 1.074 12 R CA -0.195 55.886 56.100 -0.032 0.000 1.076 12 R CB 1.050 31.348 30.300 -0.003 0.000 0.993 12 R HN 0.327 nan 8.270 nan 0.000 0.459 13 L N 3.443 124.690 121.223 0.041 0.000 2.367 13 L HA 0.248 4.582 4.340 -0.010 0.000 0.275 13 L C 0.495 177.457 176.870 0.153 0.000 1.129 13 L CA -0.086 54.829 54.840 0.126 0.000 0.839 13 L CB 0.565 42.764 42.059 0.233 0.000 1.133 13 L HN 0.395 nan 8.230 nan 0.000 0.453 14 R N 2.691 123.252 120.500 0.102 0.000 2.234 14 R HA 0.445 4.779 4.340 -0.010 0.000 0.324 14 R C -1.032 175.312 176.300 0.072 0.000 1.054 14 R CA -0.440 55.708 56.100 0.080 0.000 0.912 14 R CB 1.187 31.517 30.300 0.051 0.000 1.030 14 R HN 0.333 nan 8.270 nan 0.000 0.455 15 V N 4.370 124.322 119.914 0.063 0.000 2.409 15 V HA 0.257 4.371 4.120 -0.010 0.000 0.291 15 V C -0.022 176.074 176.094 0.003 0.000 1.020 15 V CA -0.924 61.390 62.300 0.025 0.000 0.848 15 V CB 1.877 33.697 31.823 -0.005 0.000 0.990 15 V HN 0.441 nan 8.190 nan 0.000 0.430 16 V N 5.644 125.551 119.914 -0.011 0.000 2.432 16 V HA 0.357 4.471 4.120 -0.010 0.000 0.275 16 V C 0.002 176.075 176.094 -0.035 0.000 1.043 16 V CA -0.350 61.937 62.300 -0.022 0.000 0.925 16 V CB 1.774 33.577 31.823 -0.032 0.000 0.985 16 V HN 0.635 nan 8.190 nan 0.000 0.466 17 V N 7.046 126.941 119.914 -0.032 0.000 2.313 17 V HA 0.390 4.504 4.120 -0.010 0.000 0.278 17 V C -0.072 176.001 176.094 -0.035 0.000 1.017 17 V CA -0.427 61.848 62.300 -0.040 0.000 0.823 17 V CB 1.240 33.039 31.823 -0.040 0.000 1.010 17 V HN 0.613 nan 8.190 nan 0.000 0.443 18 L N 4.192 125.389 121.223 -0.043 0.000 2.305 18 L HA 0.636 4.971 4.340 -0.010 0.000 0.281 18 L C 1.189 178.038 176.870 -0.034 0.000 1.085 18 L CA -0.090 54.727 54.840 -0.039 0.000 0.813 18 L CB 0.997 43.028 42.059 -0.048 0.000 1.157 18 L HN 0.883 nan 8.230 nan 0.000 0.436 19 G N 1.830 110.617 108.800 -0.021 0.000 2.289 19 G HA2 -0.279 3.675 3.960 -0.010 0.000 0.280 19 G HA3 -0.279 3.675 3.960 -0.010 0.000 0.280 19 G C 0.843 175.732 174.900 -0.019 0.000 1.089 19 G CA 0.412 45.502 45.100 -0.016 0.000 0.939 19 G HN 0.841 nan 8.290 nan 0.000 0.499 20 S N -1.225 114.467 115.700 -0.012 0.000 2.447 20 S HA -0.095 4.369 4.470 -0.010 0.000 0.233 20 S C 2.285 176.875 174.600 -0.016 0.000 1.006 20 S CA 2.030 60.221 58.200 -0.016 0.000 0.957 20 S CB -0.348 62.848 63.200 -0.007 0.000 0.773 20 S HN 1.460 nan 8.310 nan 0.000 0.507 21 T N -1.532 113.017 114.554 -0.008 0.000 3.081 21 T HA 0.380 4.724 4.350 -0.010 0.000 0.255 21 T C 1.127 175.790 174.700 -0.062 0.000 1.113 21 T CA 0.225 62.314 62.100 -0.019 0.000 1.082 21 T CB -0.406 68.477 68.868 0.026 0.000 0.939 21 T HN 0.449 nan 8.240 nan 0.000 0.506 22 G N 0.675 109.447 108.800 -0.047 0.000 2.553 22 G HA2 0.355 4.309 3.960 -0.010 0.000 0.278 22 G HA3 0.355 4.309 3.960 -0.010 0.000 0.278 22 G C 1.048 175.911 174.900 -0.063 0.000 1.349 22 G CA 0.030 45.093 45.100 -0.062 0.000 1.037 22 G HN 0.172 nan 8.290 nan 0.000 0.508 23 S N -1.231 114.434 115.700 -0.058 0.000 2.353 23 S HA -0.155 4.309 4.470 -0.010 0.000 0.222 23 S C 2.332 176.906 174.600 -0.044 0.000 1.035 23 S CA 1.309 59.480 58.200 -0.048 0.000 1.025 23 S CB -0.345 62.829 63.200 -0.043 0.000 0.902 23 S HN 0.364 nan 8.310 nan 0.000 0.440 24 I N 1.594 122.132 120.570 -0.053 0.000 2.252 24 I HA -0.046 4.118 4.170 -0.010 0.000 0.245 24 I C 2.781 178.866 176.117 -0.054 0.000 1.102 24 I CA 1.425 62.690 61.300 -0.058 0.000 1.385 24 I CB -2.111 35.845 38.000 -0.073 0.000 1.064 24 I HN 0.477 nan 8.210 nan 0.000 0.414 25 G N 1.193 109.963 108.800 -0.051 0.000 2.446 25 G HA2 -0.302 3.652 3.960 -0.010 0.000 0.217 25 G HA3 -0.302 3.652 3.960 -0.010 0.000 0.217 25 G C 1.737 176.612 174.900 -0.041 0.000 1.168 25 G CA 1.812 46.885 45.100 -0.046 0.000 0.771 25 G HN 0.482 nan 8.290 nan 0.000 0.551 26 T N -1.134 113.397 114.554 -0.038 0.000 2.777 26 T HA -0.092 4.253 4.350 -0.010 0.000 0.266 26 T C 2.257 176.941 174.700 -0.027 0.000 1.040 26 T CA 1.569 63.651 62.100 -0.031 0.000 1.141 26 T CB -0.372 68.475 68.868 -0.035 0.000 0.868 26 T HN 0.416 nan 8.240 nan 0.000 0.444 27 Q N 1.027 120.810 119.800 -0.028 0.000 2.167 27 Q HA 0.116 4.451 4.340 -0.010 0.000 0.202 27 Q C 2.760 178.741 176.000 -0.033 0.000 0.970 27 Q CA 1.277 57.068 55.803 -0.021 0.000 0.855 27 Q CB -0.421 28.309 28.738 -0.013 0.000 0.911 27 Q HN 0.744 nan 8.270 nan 0.000 0.438 28 A N 1.006 123.795 122.820 -0.051 0.000 1.898 28 A HA -0.117 4.197 4.320 -0.010 0.000 0.216 28 A C 2.049 179.589 177.584 -0.074 0.000 1.181 28 A CA 0.887 52.876 52.037 -0.080 0.000 0.620 28 A CB -0.578 18.365 19.000 -0.095 0.000 0.819 28 A HN 0.270 nan 8.150 nan 0.000 0.442 29 L N -0.872 120.323 121.223 -0.047 0.000 2.131 29 L HA -0.250 4.084 4.340 -0.010 0.000 0.210 29 L C 2.822 179.687 176.870 -0.008 0.000 1.092 29 L CA 1.485 56.310 54.840 -0.026 0.000 0.759 29 L CB -0.629 41.421 42.059 -0.015 0.000 0.903 29 L HN 0.516 nan 8.230 nan 0.000 0.435 30 Q N -0.632 119.163 119.800 -0.008 0.000 2.119 30 Q HA -0.156 4.178 4.340 -0.010 0.000 0.201 30 Q C 2.362 178.374 176.000 0.020 0.000 0.972 30 Q CA 1.289 57.096 55.803 0.007 0.000 0.847 30 Q CB -0.045 28.695 28.738 0.004 0.000 0.903 30 Q HN 0.338 nan 8.270 nan 0.000 0.433 31 V N 0.828 120.746 119.914 0.006 0.000 2.343 31 V HA -0.261 3.853 4.120 -0.010 0.000 0.247 31 V C 2.057 178.204 176.094 0.089 0.000 1.051 31 V CA 1.585 63.903 62.300 0.029 0.000 1.036 31 V CB -0.424 31.382 31.823 -0.028 0.000 0.654 31 V HN 0.355 nan 8.190 nan 0.000 0.451 32 I N 0.471 121.065 120.570 0.039 0.000 2.252 32 I HA -0.197 3.968 4.170 -0.010 0.000 0.245 32 I C 2.692 178.893 176.117 0.139 0.000 1.102 32 I CA 1.379 62.759 61.300 0.132 0.000 1.385 32 I CB -0.642 37.383 38.000 0.040 0.000 1.064 32 I HN 0.268 nan 8.210 nan 0.000 0.414 33 A N 0.666 123.532 122.820 0.077 0.000 1.908 33 A HA -0.252 4.062 4.320 -0.010 0.000 0.218 33 A C 1.855 179.478 177.584 0.065 0.000 1.181 33 A CA 2.225 54.299 52.037 0.061 0.000 0.627 33 A CB -0.605 18.417 19.000 0.038 0.000 0.818 33 A HN 0.364 nan 8.150 nan 0.000 0.445 34 D N -0.051 120.393 120.400 0.073 0.000 2.312 34 D HA -0.018 4.616 4.640 -0.010 0.000 0.211 34 D C 0.137 176.485 176.300 0.081 0.000 0.964 34 D CA 0.613 54.654 54.000 0.068 0.000 0.877 34 D CB -0.131 40.706 40.800 0.063 0.000 0.924 34 D HN 0.425 nan 8.370 nan 0.000 0.515 35 N N 0.758 119.533 118.700 0.126 0.000 2.696 35 N HA 0.095 4.829 4.740 -0.010 0.000 0.308 35 N C -2.037 173.520 175.510 0.079 0.000 1.915 35 N CA -0.813 52.303 53.050 0.111 0.000 0.906 35 N CB 1.906 40.511 38.487 0.197 0.000 1.284 35 N HN 0.093 nan 8.380 nan 0.000 0.488 36 P HA -0.059 nan 4.420 nan 0.000 0.222 36 P C 0.532 177.826 177.300 -0.010 0.000 1.147 36 P CA 1.013 64.138 63.100 0.041 0.000 0.790 36 P CB 0.557 32.277 31.700 0.033 0.000 0.780 37 D N -0.517 119.855 120.400 -0.046 0.000 2.178 37 D HA -0.076 4.558 4.640 -0.010 0.000 0.202 37 D C 2.155 178.358 176.300 -0.162 0.000 0.974 37 D CA 0.889 54.841 54.000 -0.081 0.000 0.841 37 D CB -0.112 40.644 40.800 -0.074 0.000 0.953 37 D HN 0.129 nan 8.370 nan 0.000 0.478 38 R N -0.910 119.411 120.500 -0.298 0.000 2.146 38 R HA 0.176 4.510 4.340 -0.010 0.000 0.206 38 R C 0.213 176.107 176.300 -0.677 0.000 1.049 38 R CA 0.345 56.056 56.100 -0.648 0.000 1.029 38 R CB 0.290 29.894 30.300 -1.161 0.000 0.949 38 R HN 0.197 nan 8.270 nan 0.000 0.471 39 F N 0.978 120.936 119.950 0.013 0.000 2.565 39 F HA 0.301 4.823 4.527 -0.008 0.000 0.313 39 F C -0.305 175.502 175.800 0.012 0.000 1.091 39 F CA -1.223 56.786 58.000 0.014 0.000 0.915 39 F CB 2.053 41.062 39.000 0.016 0.000 1.208 39 F HN -0.107 nan 8.300 nan 0.000 0.453 40 E N 0.666 120.996 120.200 0.216 0.000 2.275 40 E HA 0.585 4.929 4.350 -0.010 0.000 0.270 40 E C -1.735 174.922 176.600 0.095 0.000 0.882 40 E CA -1.085 55.389 56.400 0.124 0.000 0.758 40 E CB 2.189 31.935 29.700 0.078 0.000 1.195 40 E HN 0.319 nan 8.360 nan 0.000 0.419 41 V N 3.157 123.111 119.914 0.066 0.000 2.521 41 V HA 0.049 4.164 4.120 -0.010 0.000 0.286 41 V C 0.970 177.087 176.094 0.037 0.000 1.034 41 V CA 0.168 62.492 62.300 0.039 0.000 1.045 41 V CB 0.813 32.652 31.823 0.027 0.000 0.974 41 V HN 0.762 nan 8.190 nan 0.000 0.480 42 V N 1.233 121.166 119.914 0.031 0.000 3.398 42 V HA 0.757 4.871 4.120 -0.010 0.000 0.298 42 V C 0.513 176.625 176.094 0.030 0.000 1.496 42 V CA 0.502 62.822 62.300 0.032 0.000 1.044 42 V CB 0.303 32.146 31.823 0.033 0.000 0.880 42 V HN 0.996 nan 8.190 nan 0.000 0.443 43 G N 0.524 109.337 108.800 0.022 0.000 2.733 43 G HA2 0.650 4.604 3.960 -0.010 0.000 0.297 43 G HA3 0.650 4.604 3.960 -0.010 0.000 0.297 43 G C -1.857 173.050 174.900 0.012 0.000 1.452 43 G CA -0.686 44.426 45.100 0.021 0.000 0.940 43 G HN 0.230 nan 8.290 nan 0.000 0.547 44 L N 0.920 122.156 121.223 0.022 0.000 2.410 44 L HA 0.829 5.164 4.340 -0.010 0.000 0.270 44 L C 0.176 177.058 176.870 0.020 0.000 0.983 44 L CA -0.981 53.869 54.840 0.016 0.000 0.822 44 L CB 2.301 44.374 42.059 0.023 0.000 1.285 44 L HN 0.791 nan 8.230 nan 0.000 0.409 45 A N 2.426 125.250 122.820 0.006 0.000 2.365 45 A HA 1.004 5.318 4.320 -0.010 0.000 0.318 45 A C -0.792 176.801 177.584 0.015 0.000 1.091 45 A CA -0.228 51.815 52.037 0.010 0.000 0.763 45 A CB 1.884 20.875 19.000 -0.015 0.000 1.248 45 A HN 0.837 nan 8.150 nan 0.000 0.442 46 A N 0.518 123.354 122.820 0.028 0.000 2.583 46 A HA 0.747 5.061 4.320 -0.010 0.000 0.289 46 A C 0.801 178.408 177.584 0.038 0.000 1.151 46 A CA 0.029 52.086 52.037 0.034 0.000 0.695 46 A CB 0.481 19.509 19.000 0.046 0.000 1.290 46 A HN 1.728 nan 8.150 nan 0.000 0.419 47 G N -1.029 107.796 108.800 0.042 0.000 2.408 47 G HA2 0.405 4.359 3.960 -0.010 0.000 0.215 47 G HA3 0.405 4.359 3.960 -0.010 0.000 0.215 47 G C 1.214 176.131 174.900 0.028 0.000 1.156 47 G CA 1.314 46.434 45.100 0.034 0.000 0.793 47 G HN 2.440 nan 8.290 nan 0.000 0.535 48 G N -1.029 107.786 108.800 0.026 0.000 2.211 48 G HA2 0.061 4.015 3.960 -0.010 0.000 0.201 48 G HA3 0.061 4.015 3.960 -0.010 0.000 0.201 48 G C 1.289 176.167 174.900 -0.037 0.000 0.997 48 G CA 0.935 46.039 45.100 0.006 0.000 0.652 48 G HN 1.102 nan 8.290 nan 0.000 0.500 49 A N -0.206 122.567 122.820 -0.078 0.000 2.015 49 A HA 0.302 4.617 4.320 -0.010 0.000 0.219 49 A C 1.046 178.355 177.584 -0.458 0.000 1.163 49 A CA 1.775 53.658 52.037 -0.257 0.000 0.646 49 A CB -0.260 18.552 19.000 -0.314 0.000 0.806 49 A HN 0.748 nan 8.150 nan 0.000 0.448 50 H N -0.877 118.196 119.070 0.005 0.000 2.340 50 H HA 0.441 4.995 4.556 -0.002 0.000 0.233 50 H C 0.690 176.018 175.328 0.001 0.000 1.435 50 H CA -0.397 55.653 56.048 0.003 0.000 1.389 50 H CB 0.519 30.283 29.762 0.003 0.000 1.491 50 H HN 0.183 nan 8.280 nan 0.000 0.518 51 L N 0.260 121.513 121.223 0.049 0.000 2.141 51 L HA -0.130 4.204 4.340 -0.010 0.000 0.209 51 L C 1.541 178.433 176.870 0.037 0.000 1.094 51 L CA 1.414 56.272 54.840 0.030 0.000 0.763 51 L CB -0.192 41.864 42.059 -0.005 0.000 0.908 51 L HN 0.628 nan 8.230 nan 0.000 0.437 52 D N -0.766 119.662 120.400 0.046 0.000 2.103 52 D HA -0.231 4.403 4.640 -0.010 0.000 0.190 52 D C 1.803 178.127 176.300 0.040 0.000 0.997 52 D CA 2.011 56.035 54.000 0.041 0.000 0.833 52 D CB -0.673 40.157 40.800 0.050 0.000 0.961 52 D HN 0.116 nan 8.370 nan 0.000 0.447 53 T N 0.243 114.832 114.554 0.058 0.000 2.684 53 T HA -0.149 4.195 4.350 -0.010 0.000 0.267 53 T C 1.821 176.539 174.700 0.031 0.000 1.036 53 T CA 1.062 63.184 62.100 0.036 0.000 1.148 53 T CB -0.488 68.396 68.868 0.026 0.000 0.863 53 T HN 0.070 nan 8.240 nan 0.000 0.436 54 L N 0.890 122.139 121.223 0.043 0.000 2.046 54 L HA 0.054 4.388 4.340 -0.010 0.000 0.208 54 L C 2.174 179.058 176.870 0.024 0.000 1.077 54 L CA 1.523 56.383 54.840 0.034 0.000 0.747 54 L CB -0.687 41.396 42.059 0.039 0.000 0.896 54 L HN 0.255 nan 8.230 nan 0.000 0.432 55 L N -0.961 120.275 121.223 0.022 0.000 2.141 55 L HA -0.185 4.149 4.340 -0.010 0.000 0.209 55 L C 2.747 179.626 176.870 0.014 0.000 1.094 55 L CA 1.305 56.154 54.840 0.015 0.000 0.763 55 L CB -0.546 41.519 42.059 0.010 0.000 0.908 55 L HN 0.319 nan 8.230 nan 0.000 0.437 56 R N 0.198 120.707 120.500 0.015 0.000 2.075 56 R HA -0.172 4.162 4.340 -0.010 0.000 0.232 56 R C 2.331 178.638 176.300 0.012 0.000 1.126 56 R CA 1.406 57.514 56.100 0.012 0.000 0.963 56 R CB -0.043 30.264 30.300 0.011 0.000 0.858 56 R HN 0.408 nan 8.270 nan 0.000 0.435 57 Q N -0.276 119.532 119.800 0.013 0.000 2.084 57 Q HA -0.211 4.123 4.340 -0.010 0.000 0.202 57 Q C 2.198 178.207 176.000 0.015 0.000 0.978 57 Q CA 1.709 57.519 55.803 0.013 0.000 0.844 57 Q CB -0.178 28.567 28.738 0.012 0.000 0.898 57 Q HN 0.293 nan 8.270 nan 0.000 0.426 58 R N 0.571 121.081 120.500 0.017 0.000 2.083 58 R HA -0.181 4.154 4.340 -0.010 0.000 0.237 58 R C 2.169 178.479 176.300 0.016 0.000 1.137 58 R CA 1.457 57.568 56.100 0.018 0.000 0.951 58 R CB -0.295 30.016 30.300 0.018 0.000 0.851 58 R HN 0.246 nan 8.270 nan 0.000 0.434 59 A N 0.515 123.343 122.820 0.013 0.000 1.902 59 A HA -0.191 4.123 4.320 -0.010 0.000 0.217 59 A C 2.074 179.666 177.584 0.013 0.000 1.181 59 A CA 1.502 53.547 52.037 0.012 0.000 0.623 59 A CB -0.447 18.559 19.000 0.010 0.000 0.818 59 A HN 0.528 nan 8.150 nan 0.000 0.443 60 Q N -0.860 118.948 119.800 0.013 0.000 2.123 60 Q HA -0.099 4.236 4.340 -0.010 0.000 0.199 60 Q C 2.246 178.256 176.000 0.017 0.000 0.966 60 Q CA 1.834 57.646 55.803 0.014 0.000 0.845 60 Q CB -0.256 28.490 28.738 0.013 0.000 0.907 60 Q HN 0.875 nan 8.270 nan 0.000 0.439 61 T N -3.754 110.811 114.554 0.018 0.000 3.035 61 T HA 0.169 4.514 4.350 -0.010 0.000 0.259 61 T C 1.491 176.204 174.700 0.022 0.000 1.078 61 T CA 0.608 62.721 62.100 0.022 0.000 1.132 61 T CB 0.227 69.108 68.868 0.022 0.000 0.900 61 T HN 0.424 nan 8.240 nan 0.000 0.480 62 G N 0.819 109.631 108.800 0.020 0.000 2.143 62 G HA2 -0.211 3.744 3.960 -0.010 0.000 0.248 62 G HA3 -0.211 3.744 3.960 -0.010 0.000 0.248 62 G C 0.030 174.943 174.900 0.022 0.000 0.991 62 G CA 0.054 45.165 45.100 0.019 0.000 0.689 62 G HN 0.724 nan 8.290 nan 0.000 0.522 63 V N 1.489 121.418 119.914 0.024 0.000 2.406 63 V HA 0.519 4.633 4.120 -0.010 0.000 0.272 63 V C 1.531 177.644 176.094 0.031 0.000 1.043 63 V CA 0.680 62.998 62.300 0.030 0.000 0.915 63 V CB 1.279 33.121 31.823 0.031 0.000 0.988 63 V HN 0.639 nan 8.190 nan 0.000 0.466 64 T N 0.502 115.076 114.554 0.033 0.000 3.022 64 T HA 0.053 4.398 4.350 -0.010 0.000 0.250 64 T C 0.878 175.608 174.700 0.049 0.000 1.060 64 T CA -0.072 62.047 62.100 0.032 0.000 1.013 64 T CB -0.259 68.621 68.868 0.020 0.000 0.982 64 T HN 0.428 nan 8.240 nan 0.000 0.508 65 N N 1.876 120.616 118.700 0.067 0.000 2.498 65 N HA 0.258 4.993 4.740 -0.010 0.000 0.277 65 N C -1.046 174.545 175.510 0.136 0.000 1.208 65 N CA -0.225 52.895 53.050 0.117 0.000 1.029 65 N CB -0.730 37.825 38.487 0.114 0.000 1.403 65 N HN 0.517 nan 8.380 nan 0.000 0.500 66 I N 1.006 121.672 120.570 0.159 0.000 2.608 66 I HA 0.536 4.700 4.170 -0.010 0.000 0.295 66 I C -0.395 175.849 176.117 0.211 0.000 1.049 66 I CA -1.299 60.085 61.300 0.139 0.000 1.063 66 I CB 2.098 40.149 38.000 0.085 0.000 1.248 66 I HN 0.318 nan 8.210 nan 0.000 0.424 67 A N 5.713 128.624 122.820 0.153 0.000 2.303 67 A HA 0.792 5.106 4.320 -0.010 0.000 0.320 67 A C -0.946 176.700 177.584 0.102 0.000 1.192 67 A CA -0.491 51.638 52.037 0.153 0.000 0.821 67 A CB 1.256 20.297 19.000 0.068 0.000 1.188 67 A HN 0.422 nan 8.150 nan 0.000 0.492 68 V N 2.840 122.826 119.914 0.120 0.000 2.407 68 V HA 0.447 4.561 4.120 -0.010 0.000 0.291 68 V C 1.174 177.326 176.094 0.096 0.000 1.018 68 V CA 0.178 62.532 62.300 0.090 0.000 0.842 68 V CB 1.016 32.885 31.823 0.076 0.000 0.996 68 V HN 1.167 nan 8.190 nan 0.000 0.426 69 A N 3.086 125.945 122.820 0.066 0.000 1.877 69 A HA -0.099 4.215 4.320 -0.010 0.000 0.216 69 A C 1.204 178.829 177.584 0.068 0.000 1.186 69 A CA 1.245 53.317 52.037 0.059 0.000 0.620 69 A CB -0.186 18.836 19.000 0.036 0.000 0.822 69 A HN 0.802 nan 8.150 nan 0.000 0.443 70 D N -0.075 120.359 120.400 0.056 0.000 2.343 70 D HA 0.054 4.688 4.640 -0.010 0.000 0.255 70 D C 0.428 176.768 176.300 0.067 0.000 1.187 70 D CA -0.101 53.933 54.000 0.056 0.000 0.875 70 D CB 0.655 41.480 40.800 0.042 0.000 1.136 70 D HN 0.275 nan 8.370 nan 0.000 0.469 71 E N 2.775 123.023 120.200 0.080 0.000 2.077 71 E HA -0.231 4.114 4.350 -0.010 0.000 0.193 71 E C 1.496 178.121 176.600 0.042 0.000 0.989 71 E CA 1.059 57.500 56.400 0.067 0.000 0.800 71 E CB -0.227 29.521 29.700 0.080 0.000 0.746 71 E HN 0.660 nan 8.360 nan 0.000 0.452 72 H N 0.805 119.861 119.070 -0.024 0.000 2.357 72 H HA 0.018 4.568 4.556 -0.010 0.000 0.301 72 H C 1.881 177.188 175.328 -0.035 0.000 1.082 72 H CA 1.927 57.955 56.048 -0.033 0.000 1.342 72 H CB -0.150 29.598 29.762 -0.025 0.000 1.389 72 H HN 0.132 nan 8.280 nan 0.000 0.511 73 A N 0.661 123.436 122.820 -0.074 0.000 1.902 73 A HA -0.048 4.266 4.320 -0.010 0.000 0.217 73 A C 2.600 180.119 177.584 -0.109 0.000 1.181 73 A CA 1.712 53.680 52.037 -0.116 0.000 0.623 73 A CB -1.259 17.720 19.000 -0.036 0.000 0.818 73 A HN 0.590 nan 8.150 nan 0.000 0.443 74 A N -1.015 121.764 122.820 -0.068 0.000 1.902 74 A HA -0.172 4.142 4.320 -0.010 0.000 0.217 74 A C 2.144 179.648 177.584 -0.134 0.000 1.181 74 A CA 2.073 54.070 52.037 -0.066 0.000 0.623 74 A CB -0.500 18.490 19.000 -0.018 0.000 0.818 74 A HN 0.517 nan 8.150 nan 0.000 0.443 75 Q N 0.131 119.826 119.800 -0.175 0.000 2.096 75 Q HA -0.138 4.197 4.340 -0.010 0.000 0.204 75 Q C 2.149 178.049 176.000 -0.167 0.000 0.982 75 Q CA 1.948 57.645 55.803 -0.177 0.000 0.850 75 Q CB -0.351 28.300 28.738 -0.145 0.000 0.901 75 Q HN 0.651 nan 8.270 nan 0.000 0.422 76 R N -0.921 119.445 120.500 -0.223 0.000 2.105 76 R HA -0.106 4.228 4.340 -0.010 0.000 0.239 76 R C 2.179 178.411 176.300 -0.112 0.000 1.135 76 R CA 1.451 57.437 56.100 -0.190 0.000 0.967 76 R CB -0.276 29.879 30.300 -0.241 0.000 0.861 76 R HN 0.191 nan 8.270 nan 0.000 0.442 77 V N -0.203 119.655 119.914 -0.094 0.000 2.346 77 V HA 0.037 4.151 4.120 -0.010 0.000 0.244 77 V C 1.066 177.128 176.094 -0.052 0.000 1.037 77 V CA 1.226 63.491 62.300 -0.058 0.000 1.029 77 V CB -0.728 31.073 31.823 -0.037 0.000 0.663 77 V HN 0.683 nan 8.190 nan 0.000 0.454 78 G N 0.260 109.021 108.800 -0.065 0.000 2.767 78 G HA2 -0.120 3.834 3.960 -0.010 0.000 0.686 78 G HA3 -0.120 3.834 3.960 -0.010 0.000 0.686 78 G C -0.168 174.710 174.900 -0.038 0.000 1.213 78 G CA -0.144 44.922 45.100 -0.057 0.000 0.803 78 G HN 0.379 nan 8.290 nan 0.000 0.603 79 D N -1.105 119.274 120.400 -0.036 0.000 2.945 79 D HA -0.173 4.462 4.640 -0.010 0.000 0.225 79 D C 1.024 177.319 176.300 -0.008 0.000 1.158 79 D CA 1.388 55.376 54.000 -0.021 0.000 0.805 79 D CB -0.489 40.299 40.800 -0.019 0.000 1.098 79 D HN 0.612 nan 8.370 nan 0.000 0.426 80 I N 1.574 122.149 120.570 0.008 0.000 2.505 80 I HA 0.005 4.169 4.170 -0.010 0.000 0.287 80 I C -0.509 175.640 176.117 0.054 0.000 1.104 80 I CA -1.249 60.079 61.300 0.047 0.000 1.387 80 I CB 0.404 38.449 38.000 0.075 0.000 1.404 80 I HN -0.113 nan 8.210 nan 0.000 0.528 81 P HA -0.118 nan 4.420 nan 0.000 0.218 81 P C -0.389 176.568 177.300 -0.572 0.000 1.149 81 P CA 1.384 64.289 63.100 -0.325 0.000 0.817 81 P CB 0.178 31.616 31.700 -0.437 0.000 0.785 82 Y N -0.206 120.104 120.300 0.018 0.000 2.338 82 Y HA 0.449 4.993 4.550 -0.010 0.000 0.333 82 Y C 0.470 176.365 175.900 -0.008 0.000 0.968 82 Y CA -1.028 57.028 58.100 -0.073 0.000 1.123 82 Y CB 1.346 39.778 38.460 -0.048 0.000 1.165 82 Y HN 0.055 nan 8.280 nan 0.000 0.452 83 H N 0.225 119.369 119.070 0.122 0.000 2.930 83 H HA 0.880 5.430 4.556 -0.010 0.000 0.371 83 H C -0.061 175.304 175.328 0.062 0.000 1.169 83 H CA -1.297 54.795 56.048 0.072 0.000 1.157 83 H CB 1.875 31.658 29.762 0.035 0.000 1.789 83 H HN 0.928 nan 8.280 nan 0.000 0.547 84 G N 0.059 108.961 108.800 0.170 0.000 2.541 84 G HA2 -0.078 3.877 3.960 -0.010 0.000 0.686 84 G HA3 -0.078 3.877 3.960 -0.010 0.000 0.686 84 G C 0.699 175.633 174.900 0.056 0.000 1.286 84 G CA -0.072 45.090 45.100 0.103 0.000 0.894 84 G HN 1.375 nan 8.290 nan 0.000 0.575 85 S N -0.918 114.805 115.700 0.038 0.000 2.474 85 S HA -0.020 4.444 4.470 -0.010 0.000 0.235 85 S C 1.431 176.035 174.600 0.006 0.000 0.997 85 S CA 1.925 60.137 58.200 0.020 0.000 0.949 85 S CB -0.065 63.143 63.200 0.014 0.000 0.766 85 S HN 1.207 nan 8.310 nan 0.000 0.517 86 D N 0.987 121.389 120.400 0.003 0.000 2.340 86 D HA 0.395 5.029 4.640 -0.010 0.000 0.217 86 D C 1.568 177.854 176.300 -0.023 0.000 1.081 86 D CA 0.472 54.464 54.000 -0.013 0.000 0.842 86 D CB -0.185 40.607 40.800 -0.012 0.000 0.934 86 D HN 0.398 nan 8.370 nan 0.000 0.511 87 A N 1.257 124.076 122.820 -0.001 0.000 1.883 87 A HA 0.004 4.319 4.320 -0.010 0.000 0.217 87 A C 2.411 179.948 177.584 -0.077 0.000 1.186 87 A CA 2.247 54.294 52.037 0.015 0.000 0.624 87 A CB -0.974 18.073 19.000 0.079 0.000 0.822 87 A HN 0.363 nan 8.150 nan 0.000 0.444 88 A N -1.261 121.521 122.820 -0.062 0.000 1.930 88 A HA -0.045 4.269 4.320 -0.010 0.000 0.217 88 A C 2.302 179.806 177.584 -0.132 0.000 1.175 88 A CA 2.229 54.211 52.037 -0.092 0.000 0.627 88 A CB -1.212 17.756 19.000 -0.053 0.000 0.815 88 A HN 0.446 nan 8.150 nan 0.000 0.443 89 T N -0.209 114.281 114.554 -0.106 0.000 2.708 89 T HA -0.142 4.203 4.350 -0.010 0.000 0.266 89 T C 2.070 176.678 174.700 -0.154 0.000 1.037 89 T CA 1.596 63.632 62.100 -0.106 0.000 1.146 89 T CB -0.236 68.591 68.868 -0.069 0.000 0.865 89 T HN 0.507 nan 8.240 nan 0.000 0.435 90 R N 0.277 120.666 120.500 -0.186 0.000 2.092 90 R HA 0.038 4.373 4.340 -0.010 0.000 0.231 90 R C 2.426 178.382 176.300 -0.575 0.000 1.119 90 R CA 0.787 56.735 56.100 -0.253 0.000 0.970 90 R CB -0.591 29.639 30.300 -0.116 0.000 0.864 90 R HN 0.239 nan 8.270 nan 0.000 0.440 91 L N 0.807 121.548 121.223 -0.802 0.000 2.013 91 L HA -0.198 4.136 4.340 -0.010 0.000 0.212 91 L C 2.069 178.713 176.870 -0.376 0.000 1.073 91 L CA 1.671 56.010 54.840 -0.834 0.000 0.753 91 L CB -0.325 41.434 42.059 -0.501 0.000 0.890 91 L HN -0.091 nan 8.230 nan 0.000 0.432 92 V N -0.216 119.551 119.914 -0.245 0.000 2.295 92 V HA -0.288 3.826 4.120 -0.010 0.000 0.246 92 V C 2.473 178.497 176.094 -0.117 0.000 1.049 92 V CA 2.113 64.327 62.300 -0.143 0.000 1.024 92 V CB -0.753 31.005 31.823 -0.108 0.000 0.648 92 V HN 0.518 nan 8.190 nan 0.000 0.447 93 E N -0.141 119.984 120.200 -0.125 0.000 2.160 93 E HA -0.261 4.084 4.350 -0.010 0.000 0.195 93 E C 1.970 178.534 176.600 -0.059 0.000 0.991 93 E CA 1.336 57.688 56.400 -0.080 0.000 0.810 93 E CB -0.100 29.557 29.700 -0.071 0.000 0.742 93 E HN 0.679 nan 8.360 nan 0.000 0.466 94 Q N -0.299 119.452 119.800 -0.082 0.000 2.217 94 Q HA 0.110 4.445 4.340 -0.010 0.000 0.217 94 Q C -0.453 175.551 176.000 0.008 0.000 0.844 94 Q CA 0.103 55.899 55.803 -0.012 0.000 0.957 94 Q CB 1.441 30.216 28.738 0.062 0.000 1.127 94 Q HN -0.027 nan 8.270 nan 0.000 0.503 95 T N 1.240 115.776 114.554 -0.029 0.000 2.770 95 T HA 0.225 4.570 4.350 -0.010 0.000 0.283 95 T C -0.438 174.260 174.700 -0.004 0.000 0.988 95 T CA -0.536 61.562 62.100 -0.004 0.000 0.957 95 T CB 1.558 70.416 68.868 -0.017 0.000 0.930 95 T HN 0.043 nan 8.240 nan 0.000 0.443 96 E N 1.873 122.078 120.200 0.010 0.000 2.299 96 E HA 0.490 4.835 4.350 -0.010 0.000 0.272 96 E C -0.313 176.294 176.600 0.012 0.000 1.043 96 E CA -0.285 56.120 56.400 0.009 0.000 0.895 96 E CB 0.721 30.430 29.700 0.014 0.000 1.011 96 E HN 0.737 nan 8.360 nan 0.000 0.432 97 A N 3.372 126.198 122.820 0.009 0.000 2.594 97 A HA 0.304 4.618 4.320 -0.010 0.000 0.291 97 A C -0.292 177.304 177.584 0.020 0.000 1.105 97 A CA -0.713 51.333 52.037 0.016 0.000 0.694 97 A CB 1.408 20.412 19.000 0.006 0.000 1.291 97 A HN 0.576 nan 8.150 nan 0.000 0.410 98 D N -0.623 119.798 120.400 0.035 0.000 2.324 98 D HA 0.205 4.839 4.640 -0.010 0.000 0.212 98 D C -0.009 176.317 176.300 0.042 0.000 0.984 98 D CA 1.316 55.342 54.000 0.043 0.000 0.885 98 D CB 0.779 41.617 40.800 0.064 0.000 0.996 98 D HN 0.221 nan 8.370 nan 0.000 0.505 99 V N 1.478 121.414 119.914 0.038 0.000 2.686 99 V HA 0.274 4.389 4.120 -0.010 0.000 0.306 99 V C -0.284 175.806 176.094 -0.007 0.000 1.065 99 V CA -0.855 61.458 62.300 0.021 0.000 0.894 99 V CB 2.909 34.754 31.823 0.037 0.000 1.004 99 V HN -0.268 nan 8.190 nan 0.000 0.424 100 V N 5.500 125.399 119.914 -0.025 0.000 2.328 100 V HA 0.372 4.486 4.120 -0.010 0.000 0.278 100 V C -0.224 175.837 176.094 -0.054 0.000 1.021 100 V CA -0.469 61.806 62.300 -0.041 0.000 0.838 100 V CB 1.436 33.230 31.823 -0.047 0.000 0.999 100 V HN 0.685 nan 8.190 nan 0.000 0.447 101 L N 5.562 126.749 121.223 -0.061 0.000 2.295 101 L HA 0.453 4.787 4.340 -0.010 0.000 0.288 101 L C 0.238 177.067 176.870 -0.069 0.000 1.079 101 L CA 0.388 55.184 54.840 -0.073 0.000 0.830 101 L CB 0.475 42.482 42.059 -0.086 0.000 1.200 101 L HN 0.598 nan 8.230 nan 0.000 0.438 102 N N 4.471 123.127 118.700 -0.073 0.000 2.521 102 N HA 0.369 5.103 4.740 -0.010 0.000 0.236 102 N C -0.087 175.380 175.510 -0.072 0.000 1.067 102 N CA 0.269 53.277 53.050 -0.070 0.000 0.939 102 N CB 1.210 39.653 38.487 -0.073 0.000 1.201 102 N HN 0.699 nan 8.380 nan 0.000 0.511 103 A N 4.677 127.458 122.820 -0.064 0.000 2.630 103 A HA 0.294 4.608 4.320 -0.010 0.000 0.290 103 A C 0.573 178.127 177.584 -0.050 0.000 1.267 103 A CA -0.424 51.576 52.037 -0.063 0.000 0.950 103 A CB -0.227 18.735 19.000 -0.063 0.000 1.144 103 A HN 0.586 nan 8.150 nan 0.000 0.527 104 L N -0.601 120.594 121.223 -0.046 0.000 2.476 104 L HA 0.287 4.621 4.340 -0.010 0.000 0.264 104 L C 0.404 177.250 176.870 -0.039 0.000 1.224 104 L CA -0.151 54.667 54.840 -0.036 0.000 0.821 104 L CB 0.789 42.827 42.059 -0.035 0.000 1.101 104 L HN 0.109 nan 8.230 nan 0.000 0.488 105 V N 0.715 120.612 119.914 -0.028 0.000 2.581 105 V HA 0.884 4.999 4.120 -0.010 0.000 0.303 105 V C 0.204 176.283 176.094 -0.025 0.000 1.041 105 V CA 0.527 62.810 62.300 -0.028 0.000 0.907 105 V CB 1.191 33.002 31.823 -0.020 0.000 0.994 105 V HN 1.006 nan 8.190 nan 0.000 0.442 106 G N 4.273 113.057 108.800 -0.027 0.000 2.756 106 G HA2 0.185 4.139 3.960 -0.010 0.000 0.678 106 G HA3 0.185 4.139 3.960 -0.010 0.000 0.678 106 G C 0.621 175.503 174.900 -0.029 0.000 1.349 106 G CA -0.200 44.885 45.100 -0.025 0.000 0.847 106 G HN 2.049 nan 8.290 nan 0.000 0.548 107 A N -0.330 122.472 122.820 -0.029 0.000 2.216 107 A HA 0.231 4.545 4.320 -0.010 0.000 0.214 107 A C 2.503 180.068 177.584 -0.032 0.000 1.160 107 A CA 2.377 54.395 52.037 -0.031 0.000 0.725 107 A CB -0.537 18.443 19.000 -0.033 0.000 0.784 107 A HN 2.026 nan 8.150 nan 0.000 0.472 108 L N -2.538 118.668 121.223 -0.029 0.000 2.450 108 L HA 0.147 4.482 4.340 -0.010 0.000 0.224 108 L C 1.763 178.615 176.870 -0.030 0.000 1.149 108 L CA 1.627 56.451 54.840 -0.027 0.000 0.816 108 L CB -1.227 40.820 42.059 -0.020 0.000 0.932 108 L HN 0.084 nan 8.230 nan 0.000 0.449 109 G N -0.344 108.434 108.800 -0.035 0.000 2.920 109 G HA2 -0.048 3.906 3.960 -0.010 0.000 0.208 109 G HA3 -0.048 3.906 3.960 -0.010 0.000 0.208 109 G C 1.314 176.187 174.900 -0.046 0.000 1.159 109 G CA 0.422 45.497 45.100 -0.042 0.000 0.784 109 G HN 0.369 nan 8.290 nan 0.000 0.535 110 L N 0.821 122.020 121.223 -0.041 0.000 1.970 110 L HA -0.014 4.321 4.340 -0.010 0.000 0.212 110 L C 2.797 179.642 176.870 -0.041 0.000 1.071 110 L CA 1.840 56.656 54.840 -0.041 0.000 0.751 110 L CB -0.507 41.530 42.059 -0.036 0.000 0.889 110 L HN 0.142 nan 8.230 nan 0.000 0.432 111 R N -0.488 119.989 120.500 -0.038 0.000 2.081 111 R HA -0.108 4.226 4.340 -0.010 0.000 0.235 111 R C -0.075 176.197 176.300 -0.047 0.000 1.131 111 R CA 1.704 57.781 56.100 -0.038 0.000 0.960 111 R CB -1.739 28.541 30.300 -0.034 0.000 0.856 111 R HN 0.413 nan 8.270 nan 0.000 0.436 112 P HA -0.120 nan 4.420 nan 0.000 0.216 112 P C 1.100 178.365 177.300 -0.060 0.000 1.150 112 P CA 1.481 64.545 63.100 -0.060 0.000 0.843 112 P CB -0.039 31.625 31.700 -0.059 0.000 0.787 113 T N -0.450 114.070 114.554 -0.058 0.000 2.708 113 T HA -0.087 4.257 4.350 -0.010 0.000 0.266 113 T C 1.736 176.402 174.700 -0.057 0.000 1.037 113 T CA 1.118 63.181 62.100 -0.062 0.000 1.146 113 T CB -0.893 67.936 68.868 -0.065 0.000 0.865 113 T HN 0.041 nan 8.240 nan 0.000 0.435 114 L N 0.665 121.858 121.223 -0.050 0.000 2.046 114 L HA -0.071 4.264 4.340 -0.010 0.000 0.208 114 L C 3.008 179.852 176.870 -0.044 0.000 1.077 114 L CA 1.215 56.028 54.840 -0.045 0.000 0.747 114 L CB -0.626 41.411 42.059 -0.037 0.000 0.896 114 L HN 0.229 nan 8.230 nan 0.000 0.432 115 A N 0.002 122.794 122.820 -0.047 0.000 1.902 115 A HA -0.168 4.147 4.320 -0.010 0.000 0.217 115 A C 2.541 180.095 177.584 -0.050 0.000 1.181 115 A CA 1.704 53.712 52.037 -0.049 0.000 0.623 115 A CB -0.700 18.265 19.000 -0.058 0.000 0.818 115 A HN 0.400 nan 8.150 nan 0.000 0.443 116 A N -0.109 122.679 122.820 -0.054 0.000 1.877 116 A HA -0.078 4.236 4.320 -0.010 0.000 0.216 116 A C 2.163 179.720 177.584 -0.045 0.000 1.186 116 A CA 1.576 53.581 52.037 -0.052 0.000 0.620 116 A CB -0.681 18.284 19.000 -0.057 0.000 0.822 116 A HN 0.477 nan 8.150 nan 0.000 0.443 117 L N -0.782 120.412 121.223 -0.048 0.000 2.083 117 L HA -0.195 4.140 4.340 -0.010 0.000 0.209 117 L C 2.469 179.318 176.870 -0.035 0.000 1.083 117 L CA 1.636 56.449 54.840 -0.045 0.000 0.752 117 L CB -0.407 41.621 42.059 -0.050 0.000 0.899 117 L HN 0.340 nan 8.230 nan 0.000 0.433 118 K N -0.442 119.938 120.400 -0.034 0.000 2.283 118 K HA -0.125 4.189 4.320 -0.010 0.000 0.202 118 K C 2.038 178.624 176.600 -0.023 0.000 1.048 118 K CA 1.668 57.939 56.287 -0.027 0.000 0.948 118 K CB -0.185 32.299 32.500 -0.027 0.000 0.742 118 K HN 0.487 nan 8.250 nan 0.000 0.458 119 T N -3.204 111.335 114.554 -0.026 0.000 3.055 119 T HA 0.077 4.421 4.350 -0.010 0.000 0.265 119 T C 1.535 176.227 174.700 -0.014 0.000 1.111 119 T CA 0.822 62.910 62.100 -0.020 0.000 1.118 119 T CB 0.174 69.028 68.868 -0.024 0.000 0.909 119 T HN 0.337 nan 8.240 nan 0.000 0.501 120 G N 1.203 109.993 108.800 -0.016 0.000 2.199 120 G HA2 -0.069 3.885 3.960 -0.010 0.000 0.254 120 G HA3 -0.069 3.885 3.960 -0.010 0.000 0.254 120 G C 0.378 175.273 174.900 -0.007 0.000 0.982 120 G CA -0.006 45.088 45.100 -0.011 0.000 0.632 120 G HN 1.198 nan 8.290 nan 0.000 0.529 121 A N 0.065 122.879 122.820 -0.010 0.000 2.406 121 A HA 0.657 4.971 4.320 -0.010 0.000 0.243 121 A C 0.874 178.452 177.584 -0.010 0.000 1.082 121 A CA 0.768 52.802 52.037 -0.004 0.000 0.786 121 A CB 0.163 19.159 19.000 -0.007 0.000 1.029 121 A HN 1.151 nan 8.150 nan 0.000 0.495 122 R N 0.414 120.915 120.500 0.002 0.000 2.522 122 R HA 0.231 4.566 4.340 -0.010 0.000 0.284 122 R C -0.820 175.461 176.300 -0.031 0.000 1.032 122 R CA -0.205 55.890 56.100 -0.009 0.000 1.049 122 R CB 0.049 30.363 30.300 0.024 0.000 0.956 122 R HN 0.539 nan 8.270 nan 0.000 0.422 123 L N 5.098 126.286 121.223 -0.059 0.000 2.272 123 L HA 0.394 4.728 4.340 -0.010 0.000 0.284 123 L C -0.698 176.117 176.870 -0.091 0.000 1.045 123 L CA -0.010 54.786 54.840 -0.074 0.000 0.842 123 L CB 0.965 42.972 42.059 -0.086 0.000 1.224 123 L HN 0.780 nan 8.230 nan 0.000 0.430 124 A N 5.615 128.389 122.820 -0.077 0.000 2.376 124 A HA 0.450 4.764 4.320 -0.010 0.000 0.298 124 A C -0.604 176.921 177.584 -0.098 0.000 1.271 124 A CA -0.327 51.659 52.037 -0.085 0.000 0.926 124 A CB -0.216 18.743 19.000 -0.069 0.000 1.141 124 A HN 0.700 nan 8.150 nan 0.000 0.539 125 L N 3.602 124.753 121.223 -0.120 0.000 2.277 125 L HA 0.610 4.944 4.340 -0.010 0.000 0.284 125 L C 0.897 177.689 176.870 -0.131 0.000 1.028 125 L CA 0.318 55.082 54.840 -0.128 0.000 0.835 125 L CB 1.191 43.158 42.059 -0.153 0.000 1.215 125 L HN 0.666 nan 8.230 nan 0.000 0.425 126 A N 3.781 126.532 122.820 -0.114 0.000 1.956 126 A HA 0.016 4.330 4.320 -0.010 0.000 0.212 126 A C 1.270 178.785 177.584 -0.116 0.000 1.188 126 A CA 0.326 52.293 52.037 -0.116 0.000 0.675 126 A CB -0.341 18.597 19.000 -0.103 0.000 0.845 126 A HN 0.790 nan 8.150 nan 0.000 0.455 127 N N 1.239 119.878 118.700 -0.102 0.000 2.950 127 N HA -0.043 4.692 4.740 -0.010 0.000 0.313 127 N C 0.875 176.324 175.510 -0.101 0.000 1.213 127 N CA 0.395 53.392 53.050 -0.090 0.000 1.184 127 N CB 0.139 38.582 38.487 -0.074 0.000 1.454 127 N HN 0.603 nan 8.380 nan 0.000 0.532 128 K N 0.662 120.993 120.400 -0.115 0.000 2.211 128 K HA -0.182 4.132 4.320 -0.010 0.000 0.204 128 K C 0.986 177.534 176.600 -0.086 0.000 1.047 128 K CA 1.247 57.454 56.287 -0.132 0.000 0.935 128 K CB 0.055 32.462 32.500 -0.155 0.000 0.728 128 K HN 0.278 nan 8.250 nan 0.000 0.452 129 E N 1.554 121.719 120.200 -0.057 0.000 2.118 129 E HA -0.185 4.160 4.350 -0.010 0.000 0.195 129 E C 2.180 178.759 176.600 -0.036 0.000 0.992 129 E CA 1.854 58.235 56.400 -0.031 0.000 0.804 129 E CB -0.114 29.571 29.700 -0.025 0.000 0.741 129 E HN 0.598 nan 8.360 nan 0.000 0.458 130 S N 0.333 116.002 115.700 -0.052 0.000 2.402 130 S HA -0.118 4.346 4.470 -0.010 0.000 0.229 130 S C 1.952 176.519 174.600 -0.056 0.000 1.021 130 S CA 0.824 58.993 58.200 -0.052 0.000 0.974 130 S CB -0.236 62.929 63.200 -0.059 0.000 0.800 130 S HN 0.228 nan 8.310 nan 0.000 0.484 131 L N 1.700 122.879 121.223 -0.073 0.000 2.131 131 L HA 0.206 4.540 4.340 -0.010 0.000 0.206 131 L C 2.389 179.229 176.870 -0.050 0.000 1.087 131 L CA 1.161 55.953 54.840 -0.079 0.000 0.767 131 L CB -0.683 41.302 42.059 -0.124 0.000 0.917 131 L HN 0.190 nan 8.230 nan 0.000 0.441 132 V N 0.370 120.262 119.914 -0.036 0.000 2.287 132 V HA -0.299 3.816 4.120 -0.010 0.000 0.248 132 V C 2.805 178.907 176.094 0.014 0.000 1.053 132 V CA 1.771 64.073 62.300 0.002 0.000 1.027 132 V CB -1.366 30.474 31.823 0.028 0.000 0.646 132 V HN 0.602 nan 8.190 nan 0.000 0.447 133 A N 0.302 123.122 122.820 0.001 0.000 1.873 133 A HA -0.024 4.291 4.320 -0.010 0.000 0.215 133 A C 2.410 179.989 177.584 -0.010 0.000 1.186 133 A CA 1.786 53.821 52.037 -0.004 0.000 0.616 133 A CB -1.194 17.795 19.000 -0.019 0.000 0.823 133 A HN 0.521 nan 8.150 nan 0.000 0.442 134 G N -1.278 107.511 108.800 -0.019 0.000 2.408 134 G HA2 0.283 4.237 3.960 -0.010 0.000 0.217 134 G HA3 0.283 4.237 3.960 -0.010 0.000 0.217 134 G C 1.396 176.291 174.900 -0.009 0.000 1.150 134 G CA 1.055 46.143 45.100 -0.019 0.000 0.776 134 G HN 1.547 nan 8.290 nan 0.000 0.542 135 G N 0.123 108.920 108.800 -0.005 0.000 2.611 135 G HA2 -0.336 3.618 3.960 -0.010 0.000 0.301 135 G HA3 -0.336 3.618 3.960 -0.010 0.000 0.301 135 G C 1.721 176.619 174.900 -0.003 0.000 1.233 135 G CA 2.136 47.243 45.100 0.011 0.000 0.993 135 G HN 1.435 nan 8.290 nan 0.000 0.553 136 S N -0.142 115.565 115.700 0.011 0.000 2.442 136 S HA 0.025 4.490 4.470 -0.010 0.000 0.236 136 S C 2.421 177.015 174.600 -0.010 0.000 1.007 136 S CA 2.038 60.237 58.200 -0.001 0.000 0.965 136 S CB -0.110 63.099 63.200 0.014 0.000 0.773 136 S HN 1.463 nan 8.310 nan 0.000 0.504 137 L N 1.724 122.944 121.223 -0.006 0.000 2.046 137 L HA 0.027 4.361 4.340 -0.010 0.000 0.208 137 L C 2.446 179.301 176.870 -0.024 0.000 1.077 137 L CA 1.472 56.305 54.840 -0.011 0.000 0.747 137 L CB -0.634 41.421 42.059 -0.006 0.000 0.896 137 L HN 0.218 nan 8.230 nan 0.000 0.432 138 V N -0.415 119.479 119.914 -0.033 0.000 2.358 138 V HA -0.277 3.838 4.120 -0.010 0.000 0.246 138 V C 2.539 178.599 176.094 -0.057 0.000 1.047 138 V CA 1.846 64.118 62.300 -0.048 0.000 1.035 138 V CB -0.488 31.300 31.823 -0.059 0.000 0.658 138 V HN 0.424 nan 8.190 nan 0.000 0.452 139 L N -0.473 120.715 121.223 -0.058 0.000 2.042 139 L HA -0.202 4.132 4.340 -0.010 0.000 0.210 139 L C 2.768 179.606 176.870 -0.053 0.000 1.076 139 L CA 1.742 56.542 54.840 -0.067 0.000 0.749 139 L CB -0.643 41.374 42.059 -0.070 0.000 0.893 139 L HN 0.257 nan 8.230 nan 0.000 0.432 140 R N -0.187 120.290 120.500 -0.038 0.000 2.193 140 R HA -0.096 4.238 4.340 -0.010 0.000 0.229 140 R C 2.175 178.457 176.300 -0.030 0.000 1.110 140 R CA 1.098 57.180 56.100 -0.029 0.000 0.988 140 R CB -0.287 30.001 30.300 -0.019 0.000 0.871 140 R HN 0.339 nan 8.270 nan 0.000 0.458 141 A N 0.778 123.577 122.820 -0.035 0.000 2.169 141 A HA 0.245 4.559 4.320 -0.010 0.000 0.212 141 A C 0.903 178.463 177.584 -0.041 0.000 1.153 141 A CA 0.525 52.541 52.037 -0.035 0.000 0.756 141 A CB 0.186 19.164 19.000 -0.037 0.000 0.813 141 A HN 0.263 nan 8.150 nan 0.000 0.471 142 A N 0.593 123.383 122.820 -0.049 0.000 2.305 142 A HA 0.608 4.922 4.320 -0.010 0.000 0.322 142 A C 0.373 177.928 177.584 -0.049 0.000 1.187 142 A CA -0.842 51.161 52.037 -0.057 0.000 0.825 142 A CB 0.384 19.337 19.000 -0.079 0.000 1.164 142 A HN 0.624 nan 8.150 nan 0.000 0.498 143 R N 1.854 122.329 120.500 -0.041 0.000 2.577 143 R HA 0.528 4.862 4.340 -0.010 0.000 0.269 143 R C -2.694 173.581 176.300 -0.042 0.000 1.084 143 R CA -1.393 54.687 56.100 -0.033 0.000 1.163 143 R CB -0.564 29.724 30.300 -0.020 0.000 1.100 143 R HN 0.324 nan 8.270 nan 0.000 0.547 144 P HA 0.020 nan 4.420 nan 0.000 0.261 144 P C 0.306 177.584 177.300 -0.037 0.000 1.183 144 P CA 1.396 64.476 63.100 -0.034 0.000 0.761 144 P CB 0.601 32.295 31.700 -0.010 0.000 0.785 145 G N 2.690 111.447 108.800 -0.072 0.000 2.168 145 G HA2 -0.364 3.590 3.960 -0.010 0.000 0.257 145 G HA3 -0.364 3.590 3.960 -0.010 0.000 0.257 145 G C 1.004 175.837 174.900 -0.111 0.000 0.997 145 G CA 0.503 45.541 45.100 -0.103 0.000 0.708 145 G HN 0.591 nan 8.290 nan 0.000 0.520 146 Q N -0.757 118.986 119.800 -0.094 0.000 2.172 146 Q HA 0.175 4.509 4.340 -0.010 0.000 0.200 146 Q C 1.259 177.188 176.000 -0.118 0.000 0.964 146 Q CA 0.486 56.240 55.803 -0.082 0.000 0.855 146 Q CB 0.016 28.717 28.738 -0.062 0.000 0.918 146 Q HN 0.701 nan 8.270 nan 0.000 0.444 147 I N 1.865 122.339 120.570 -0.160 0.000 2.312 147 I HA 0.155 4.319 4.170 -0.010 0.000 0.291 147 I C -0.892 175.067 176.117 -0.263 0.000 1.031 147 I CA -0.560 60.624 61.300 -0.193 0.000 1.293 147 I CB 1.427 39.305 38.000 -0.203 0.000 1.403 147 I HN -0.178 nan 8.210 nan 0.000 0.484 148 V N 8.884 128.649 119.914 -0.249 0.000 2.378 148 V HA 0.343 4.458 4.120 -0.010 0.000 0.288 148 V C -2.106 173.846 176.094 -0.235 0.000 1.016 148 V CA -1.746 60.358 62.300 -0.326 0.000 0.840 148 V CB 1.656 33.287 31.823 -0.320 0.000 0.994 148 V HN 0.573 nan 8.190 nan 0.000 0.431 149 P HA 0.213 nan 4.420 nan 0.000 0.280 149 P C 0.450 177.703 177.300 -0.079 0.000 1.244 149 P CA 0.063 63.072 63.100 -0.152 0.000 0.784 149 P CB 2.152 33.796 31.700 -0.094 0.000 0.913 150 V N 1.655 121.518 119.914 -0.085 0.000 2.825 150 V HA -0.009 4.105 4.120 -0.010 0.000 0.246 150 V C 1.065 177.120 176.094 -0.065 0.000 1.068 150 V CA 0.768 63.030 62.300 -0.064 0.000 1.088 150 V CB -0.796 30.976 31.823 -0.085 0.000 0.733 150 V HN 0.577 nan 8.190 nan 0.000 0.468 151 D N 1.133 121.493 120.400 -0.066 0.000 2.571 151 D HA -0.061 4.574 4.640 -0.010 0.000 0.231 151 D C 1.479 177.777 176.300 -0.003 0.000 1.133 151 D CA 0.894 54.869 54.000 -0.040 0.000 0.862 151 D CB 1.381 42.230 40.800 0.082 0.000 1.179 151 D HN 0.411 nan 8.370 nan 0.000 0.474 152 S N 2.992 118.611 115.700 -0.134 0.000 2.382 152 S HA -0.227 4.238 4.470 -0.010 0.000 0.228 152 S C 1.445 176.040 174.600 -0.008 0.000 1.027 152 S CA 1.031 59.151 58.200 -0.132 0.000 0.991 152 S CB -0.023 62.999 63.200 -0.296 0.000 0.823 152 S HN 0.439 nan 8.310 nan 0.000 0.469 153 E N 1.283 121.479 120.200 -0.006 0.000 2.051 153 E HA -0.088 4.256 4.350 -0.010 0.000 0.192 153 E C 1.999 178.520 176.600 -0.133 0.000 0.991 153 E CA 1.803 58.151 56.400 -0.086 0.000 0.799 153 E CB -0.525 29.027 29.700 -0.248 0.000 0.748 153 E HN 0.814 nan 8.360 nan 0.000 0.449 154 H N -0.874 118.249 119.070 0.088 0.000 2.436 154 H HA 0.096 4.645 4.556 -0.012 0.000 0.294 154 H C 2.057 177.497 175.328 0.186 0.000 1.048 154 H CA 1.190 57.356 56.048 0.197 0.000 1.353 154 H CB -0.156 29.687 29.762 0.136 0.000 1.414 154 H HN 0.042 nan 8.280 nan 0.000 0.536 155 S N 0.335 116.153 115.700 0.197 0.000 2.356 155 S HA -0.187 4.277 4.470 -0.010 0.000 0.223 155 S C 2.438 177.146 174.600 0.181 0.000 1.032 155 S CA 1.001 59.304 58.200 0.172 0.000 1.005 155 S CB -0.461 62.814 63.200 0.125 0.000 0.867 155 S HN 0.514 nan 8.310 nan 0.000 0.449 156 A N 1.587 124.486 122.820 0.131 0.000 1.883 156 A HA -0.008 4.306 4.320 -0.010 0.000 0.217 156 A C 2.259 179.877 177.584 0.056 0.000 1.186 156 A CA 1.643 53.750 52.037 0.116 0.000 0.624 156 A CB -0.937 18.138 19.000 0.125 0.000 0.822 156 A HN 0.587 nan 8.150 nan 0.000 0.444 157 L N -0.899 120.311 121.223 -0.021 0.000 2.046 157 L HA -0.220 4.114 4.340 -0.010 0.000 0.208 157 L C 3.118 179.867 176.870 -0.202 0.000 1.077 157 L CA 1.123 55.835 54.840 -0.213 0.000 0.747 157 L CB -0.598 41.188 42.059 -0.456 0.000 0.896 157 L HN 0.461 nan 8.230 nan 0.000 0.432 158 A N -0.463 122.369 122.820 0.021 0.000 1.933 158 A HA -0.246 4.069 4.320 -0.010 0.000 0.218 158 A C 2.214 179.975 177.584 0.296 0.000 1.175 158 A CA 1.555 53.702 52.037 0.185 0.000 0.628 158 A CB -0.422 18.706 19.000 0.213 0.000 0.814 158 A HN 0.492 nan 8.150 nan 0.000 0.444 159 Q N -1.139 118.831 119.800 0.283 0.000 2.079 159 Q HA -0.157 4.177 4.340 -0.010 0.000 0.200 159 Q C 2.256 178.348 176.000 0.153 0.000 0.974 159 Q CA 1.639 57.582 55.803 0.233 0.000 0.840 159 Q CB -0.382 28.471 28.738 0.191 0.000 0.898 159 Q HN 0.744 nan 8.270 nan 0.000 0.430 160 C N 0.447 119.813 119.300 0.109 0.000 2.450 160 C HA -0.018 4.436 4.460 -0.010 0.000 0.279 160 C C 2.411 177.512 174.990 0.186 0.000 1.335 160 C CA 0.256 59.344 59.018 0.116 0.000 1.749 160 C CB -0.809 26.961 27.740 0.050 0.000 1.963 160 C HN 0.471 nan 8.230 nan 0.000 0.501 161 L N 0.447 121.731 121.223 0.102 0.000 2.353 161 L HA -0.117 4.217 4.340 -0.010 0.000 0.220 161 L C 2.600 179.598 176.870 0.214 0.000 1.133 161 L CA 1.121 56.048 54.840 0.145 0.000 0.798 161 L CB -0.506 41.553 42.059 -0.002 0.000 0.922 161 L HN 0.361 nan 8.230 nan 0.000 0.445 162 R N -0.186 120.417 120.500 0.172 0.000 2.241 162 R HA -0.080 4.254 4.340 -0.010 0.000 0.224 162 R C 2.191 178.525 176.300 0.058 0.000 1.101 162 R CA 0.833 57.003 56.100 0.116 0.000 0.995 162 R CB -0.450 29.905 30.300 0.093 0.000 0.870 162 R HN 0.377 nan 8.270 nan 0.000 0.463 163 G N -0.010 108.842 108.800 0.087 0.000 2.598 163 G HA2 0.069 4.023 3.960 -0.010 0.000 0.215 163 G HA3 0.069 4.023 3.960 -0.010 0.000 0.215 163 G C 0.439 175.010 174.900 -0.548 0.000 1.131 163 G CA 0.675 45.680 45.100 -0.158 0.000 0.785 163 G HN 0.453 nan 8.290 nan 0.000 0.539 164 G N -1.365 107.269 108.800 -0.276 0.000 2.548 164 G HA2 0.501 4.455 3.960 -0.010 0.000 0.301 164 G HA3 0.501 4.455 3.960 -0.010 0.000 0.301 164 G C -0.464 174.469 174.900 0.055 0.000 1.349 164 G CA 0.117 45.077 45.100 -0.234 0.000 0.792 164 G HN 0.483 nan 8.290 nan 0.000 0.481 165 T N -1.058 113.530 114.554 0.057 0.000 2.849 165 T HA 0.508 4.852 4.350 -0.010 0.000 0.284 165 T C -1.558 173.219 174.700 0.128 0.000 1.004 165 T CA -1.078 61.071 62.100 0.081 0.000 1.021 165 T CB 1.835 70.731 68.868 0.046 0.000 1.013 165 T HN 0.130 nan 8.240 nan 0.000 0.527 166 P HA -0.132 nan 4.420 nan 0.000 0.216 166 P C 1.368 178.710 177.300 0.070 0.000 1.150 166 P CA 1.223 64.371 63.100 0.079 0.000 0.843 166 P CB -0.073 31.662 31.700 0.058 0.000 0.787 167 D N -0.248 120.191 120.400 0.064 0.000 2.348 167 D HA -0.154 4.480 4.640 -0.010 0.000 0.216 167 D C 1.120 177.463 176.300 0.073 0.000 0.970 167 D CA 0.829 54.862 54.000 0.054 0.000 0.889 167 D CB -0.406 40.419 40.800 0.041 0.000 0.912 167 D HN 0.282 nan 8.370 nan 0.000 0.524 168 E N 0.139 120.412 120.200 0.123 0.000 2.474 168 E HA 0.092 4.436 4.350 -0.010 0.000 0.194 168 E C 0.111 176.861 176.600 0.250 0.000 1.041 168 E CA -0.181 56.337 56.400 0.196 0.000 0.874 168 E CB 1.110 30.945 29.700 0.224 0.000 0.914 168 E HN 0.099 nan 8.360 nan 0.000 0.498 169 V N 1.518 121.496 119.914 0.106 0.000 2.470 169 V HA 0.085 4.199 4.120 -0.010 0.000 0.276 169 V C 0.888 176.924 176.094 -0.097 0.000 1.040 169 V CA 0.338 62.572 62.300 -0.109 0.000 1.008 169 V CB 1.081 32.818 31.823 -0.144 0.000 0.990 169 V HN 0.200 nan 8.190 nan 0.000 0.477 170 A N 5.350 128.078 122.820 -0.153 0.000 1.920 170 A HA 0.331 4.645 4.320 -0.010 0.000 0.209 170 A C 0.851 178.368 177.584 -0.111 0.000 1.229 170 A CA 0.567 52.549 52.037 -0.093 0.000 0.671 170 A CB 0.312 19.275 19.000 -0.062 0.000 0.886 170 A HN 0.683 nan 8.150 nan 0.000 0.461 171 K N -0.572 119.726 120.400 -0.171 0.000 2.527 171 K HA 0.620 4.934 4.320 -0.010 0.000 0.260 171 K C -1.803 174.678 176.600 -0.199 0.000 0.937 171 K CA -0.410 55.790 56.287 -0.144 0.000 0.826 171 K CB 2.188 34.624 32.500 -0.107 0.000 1.359 171 K HN 0.183 nan 8.250 nan 0.000 0.434 172 L N 2.416 123.545 121.223 -0.158 0.000 2.296 172 L HA 0.511 4.846 4.340 -0.010 0.000 0.286 172 L C -0.637 176.163 176.870 -0.117 0.000 1.023 172 L CA -1.215 53.520 54.840 -0.175 0.000 0.812 172 L CB 1.627 43.581 42.059 -0.176 0.000 1.223 172 L HN 0.246 nan 8.230 nan 0.000 0.421 173 V N 4.779 124.622 119.914 -0.118 0.000 2.313 173 V HA 0.307 4.421 4.120 -0.010 0.000 0.278 173 V C 0.011 176.073 176.094 -0.054 0.000 1.017 173 V CA -0.499 61.758 62.300 -0.071 0.000 0.823 173 V CB 1.389 33.167 31.823 -0.075 0.000 1.010 173 V HN 0.455 nan 8.190 nan 0.000 0.443 174 L N 5.207 126.410 121.223 -0.033 0.000 2.331 174 L HA 0.460 4.795 4.340 -0.010 0.000 0.278 174 L C 1.052 177.945 176.870 0.038 0.000 1.106 174 L CA 0.520 55.347 54.840 -0.021 0.000 0.824 174 L CB 1.479 43.517 42.059 -0.034 0.000 1.142 174 L HN 0.832 nan 8.230 nan 0.000 0.443 175 T N 0.557 115.153 114.554 0.070 0.000 2.913 175 T HA 0.808 5.152 4.350 -0.010 0.000 0.287 175 T C -0.143 174.631 174.700 0.123 0.000 1.008 175 T CA -0.701 61.480 62.100 0.134 0.000 1.067 175 T CB 1.589 70.568 68.868 0.185 0.000 0.996 175 T HN 0.723 nan 8.240 nan 0.000 0.513 176 A N 1.206 124.101 122.820 0.124 0.000 2.422 176 A HA 0.634 4.948 4.320 -0.010 0.000 0.302 176 A C 1.119 178.745 177.584 0.070 0.000 1.041 176 A CA -0.318 51.773 52.037 0.090 0.000 0.708 176 A CB 1.453 20.478 19.000 0.041 0.000 1.257 176 A HN 1.144 nan 8.150 nan 0.000 0.414 177 S N 1.651 117.403 115.700 0.086 0.000 2.399 177 S HA 0.224 4.688 4.470 -0.010 0.000 0.231 177 S C 1.580 176.122 174.600 -0.098 0.000 1.022 177 S CA 1.754 59.960 58.200 0.010 0.000 0.983 177 S CB -0.252 63.011 63.200 0.105 0.000 0.803 177 S HN 2.755 nan 8.310 nan 0.000 0.480 178 G N 0.452 109.180 108.800 -0.121 0.000 2.217 178 G HA2 0.207 4.162 3.960 -0.010 0.000 0.246 178 G HA3 0.207 4.162 3.960 -0.010 0.000 0.246 178 G C 1.252 175.955 174.900 -0.329 0.000 0.990 178 G CA 0.315 45.276 45.100 -0.232 0.000 0.627 178 G HN 1.930 nan 8.290 nan 0.000 0.522 179 G N -0.079 108.525 108.800 -0.327 0.000 2.855 179 G HA2 0.131 4.085 3.960 -0.010 0.000 0.352 179 G HA3 0.131 4.085 3.960 -0.010 0.000 0.352 179 G C -0.650 173.899 174.900 -0.585 0.000 1.415 179 G CA 0.349 45.163 45.100 -0.477 0.000 0.871 179 G HN 0.858 nan 8.290 nan 0.000 0.543 180 P HA -0.021 nan 4.420 nan 0.000 0.221 180 P C 1.078 177.765 177.300 -1.021 0.000 1.145 180 P CA 1.615 64.155 63.100 -0.932 0.000 0.795 180 P CB -0.107 30.845 31.700 -1.245 0.000 0.775 181 F N -0.806 118.762 119.950 -0.638 0.000 2.684 181 F HA 0.290 4.816 4.527 -0.001 0.000 0.298 181 F C 1.323 176.932 175.800 -0.318 0.000 1.120 181 F CA -1.064 56.305 58.000 -1.052 0.000 1.332 181 F CB -0.161 38.255 39.000 -0.973 0.000 0.986 181 F HN -0.279 nan 8.300 nan 0.000 0.524 182 R N 1.356 121.782 120.500 -0.124 0.000 2.504 182 R HA 0.237 4.571 4.340 -0.010 0.000 0.291 182 R C 1.261 177.735 176.300 0.291 0.000 0.974 182 R CA 1.357 57.469 56.100 0.020 0.000 1.077 182 R CB 0.031 30.284 30.300 -0.078 0.000 0.926 182 R HN 0.576 nan 8.270 nan 0.000 0.407 183 G N 3.378 112.397 108.800 0.365 0.000 2.195 183 G HA2 -0.241 3.714 3.960 -0.010 0.000 0.246 183 G HA3 -0.241 3.714 3.960 -0.010 0.000 0.246 183 G C -0.595 174.579 174.900 0.458 0.000 0.984 183 G CA 0.020 45.337 45.100 0.363 0.000 0.633 183 G HN 0.587 nan 8.290 nan 0.000 0.525 184 W N 2.587 124.031 121.300 0.241 0.000 2.202 184 W HA 0.627 5.283 4.660 -0.007 0.000 0.332 184 W C 1.236 177.817 176.519 0.103 0.000 1.263 184 W CA -0.215 57.234 57.345 0.173 0.000 1.223 184 W CB 0.789 30.374 29.460 0.208 0.000 1.128 184 W HN 0.511 nan 8.180 nan 0.000 0.573 185 S N 1.095 116.917 115.700 0.204 0.000 2.624 185 S HA 0.526 4.991 4.470 -0.010 0.000 0.263 185 S C 1.084 175.703 174.600 0.032 0.000 1.287 185 S CA -0.198 58.052 58.200 0.084 0.000 0.990 185 S CB 1.246 64.463 63.200 0.028 0.000 0.950 185 S HN 0.629 nan 8.310 nan 0.000 0.561 186 A N 1.206 124.003 122.820 -0.038 0.000 1.933 186 A HA 0.133 4.448 4.320 -0.010 0.000 0.218 186 A C 2.355 179.888 177.584 -0.086 0.000 1.175 186 A CA 1.762 53.747 52.037 -0.087 0.000 0.628 186 A CB -1.660 17.287 19.000 -0.088 0.000 0.814 186 A HN 1.314 nan 8.150 nan 0.000 0.444 187 A N -0.040 122.738 122.820 -0.070 0.000 1.930 187 A HA -0.167 4.147 4.320 -0.010 0.000 0.217 187 A C 1.768 179.244 177.584 -0.180 0.000 1.175 187 A CA 1.758 53.731 52.037 -0.107 0.000 0.627 187 A CB -0.512 18.467 19.000 -0.035 0.000 0.815 187 A HN 0.463 nan 8.150 nan 0.000 0.443 188 D N 0.192 120.556 120.400 -0.060 0.000 2.117 188 D HA -0.118 4.516 4.640 -0.010 0.000 0.197 188 D C 1.892 178.237 176.300 0.076 0.000 0.987 188 D CA 1.045 55.044 54.000 -0.001 0.000 0.829 188 D CB -0.296 40.496 40.800 -0.013 0.000 0.961 188 D HN 0.458 nan 8.370 nan 0.000 0.460 189 L N 0.841 122.093 121.223 0.047 0.000 2.201 189 L HA -0.096 4.238 4.340 -0.010 0.000 0.212 189 L C 2.218 179.033 176.870 -0.093 0.000 1.105 189 L CA 0.726 55.551 54.840 -0.026 0.000 0.775 189 L CB -0.357 41.707 42.059 0.009 0.000 0.913 189 L HN 0.010 nan 8.230 nan 0.000 0.440 190 E N -0.327 119.724 120.200 -0.249 0.000 2.171 190 E HA -0.238 4.107 4.350 -0.010 0.000 0.197 190 E C 1.679 178.174 176.600 -0.175 0.000 0.997 190 E CA 1.208 57.438 56.400 -0.283 0.000 0.810 190 E CB -0.067 29.351 29.700 -0.470 0.000 0.738 190 E HN 0.639 nan 8.360 nan 0.000 0.467 191 H N -0.774 118.332 119.070 0.060 0.000 2.575 191 H HA 0.145 4.695 4.556 -0.010 0.000 0.267 191 H C 0.481 175.847 175.328 0.063 0.000 0.966 191 H CA -0.059 56.026 56.048 0.061 0.000 1.165 191 H CB -0.141 29.648 29.762 0.045 0.000 1.433 191 H HN -0.076 nan 8.280 nan 0.000 0.544 192 V N 3.773 123.718 119.914 0.052 0.000 2.644 192 V HA -0.069 4.046 4.120 -0.010 0.000 0.305 192 V C 1.105 177.292 176.094 0.154 0.000 1.053 192 V CA 0.672 62.901 62.300 -0.118 0.000 1.186 192 V CB 0.480 31.787 31.823 -0.860 0.000 0.895 192 V HN 0.489 nan 8.190 nan 0.000 0.490 193 T N 3.486 118.134 114.554 0.157 0.000 2.934 193 T HA 0.406 4.750 4.350 -0.010 0.000 0.283 193 T C -1.765 173.076 174.700 0.235 0.000 1.005 193 T CA -2.095 60.103 62.100 0.164 0.000 1.041 193 T CB 1.751 70.675 68.868 0.094 0.000 1.042 193 T HN 0.388 nan 8.240 nan 0.000 0.505 194 P HA -0.130 nan 4.420 nan 0.000 0.217 194 P C 1.384 178.757 177.300 0.121 0.000 1.151 194 P CA 1.213 64.312 63.100 -0.002 0.000 0.849 194 P CB 0.109 31.659 31.700 -0.250 0.000 0.787 195 E N -0.628 119.620 120.200 0.080 0.000 2.077 195 E HA -0.212 4.132 4.350 -0.010 0.000 0.193 195 E C 2.158 178.829 176.600 0.118 0.000 0.989 195 E CA 0.987 57.438 56.400 0.085 0.000 0.800 195 E CB -0.302 29.435 29.700 0.061 0.000 0.746 195 E HN 0.428 nan 8.360 nan 0.000 0.452 196 Q N -0.134 119.765 119.800 0.165 0.000 2.119 196 Q HA -0.079 4.255 4.340 -0.010 0.000 0.201 196 Q C 1.990 178.133 176.000 0.239 0.000 0.972 196 Q CA 1.191 57.126 55.803 0.220 0.000 0.847 196 Q CB -0.009 28.910 28.738 0.300 0.000 0.903 196 Q HN 0.179 nan 8.270 nan 0.000 0.433 197 A N 0.266 123.274 122.820 0.313 0.000 2.167 197 A HA 0.069 4.383 4.320 -0.010 0.000 0.214 197 A C 1.947 179.620 177.584 0.148 0.000 1.151 197 A CA 0.944 53.136 52.037 0.258 0.000 0.735 197 A CB -0.268 18.978 19.000 0.411 0.000 0.802 197 A HN 0.421 nan 8.150 nan 0.000 0.467 198 G N -0.749 108.131 108.800 0.134 0.000 2.813 198 G HA2 0.382 4.336 3.960 -0.010 0.000 0.209 198 G HA3 0.382 4.336 3.960 -0.010 0.000 0.209 198 G C 0.652 175.585 174.900 0.055 0.000 1.150 198 G CA 0.606 45.765 45.100 0.098 0.000 0.785 198 G HN 0.712 nan 8.290 nan 0.000 0.535 199 A N 0.169 122.992 122.820 0.004 0.000 2.316 199 A HA 0.627 4.941 4.320 -0.010 0.000 0.284 199 A C -0.643 176.915 177.584 -0.044 0.000 1.115 199 A CA -0.410 51.608 52.037 -0.031 0.000 0.812 199 A CB 0.568 19.520 19.000 -0.080 0.000 1.064 199 A HN 0.332 nan 8.150 nan 0.000 0.489 200 H N 2.697 121.712 119.070 -0.091 0.000 2.856 200 H HA 0.310 4.858 4.556 -0.013 0.000 0.355 200 H C -1.991 173.290 175.328 -0.080 0.000 1.079 200 H CA -1.192 54.803 56.048 -0.087 0.000 1.240 200 H CB 2.378 32.137 29.762 -0.005 0.000 1.701 200 H HN 0.533 nan 8.280 nan 0.000 0.527 201 P HA -0.073 nan 4.420 nan 0.000 0.219 201 P C 0.890 178.171 177.300 -0.032 0.000 1.150 201 P CA 1.351 64.366 63.100 -0.142 0.000 0.814 201 P CB 0.517 32.071 31.700 -0.243 0.000 0.787 202 T N -7.779 106.868 114.554 0.155 0.000 2.992 202 T HA 0.158 4.502 4.350 -0.010 0.000 0.255 202 T C -0.025 174.492 174.700 -0.306 0.000 0.938 202 T CA -0.437 61.589 62.100 -0.124 0.000 0.895 202 T CB -0.294 68.395 68.868 -0.297 0.000 1.221 202 T HN -0.017 nan 8.240 nan 0.000 0.512 203 W N 1.947 123.273 121.300 0.044 0.000 2.702 203 W HA 0.717 5.367 4.660 -0.017 0.000 0.331 203 W C -0.782 175.625 176.519 -0.188 0.000 1.049 203 W CA -0.859 56.370 57.345 -0.192 0.000 1.230 203 W CB 1.927 31.149 29.460 -0.397 0.000 1.408 203 W HN -0.142 nan 8.180 nan 0.000 0.492 204 S N 4.040 119.816 115.700 0.126 0.000 2.422 204 S HA 0.702 5.166 4.470 -0.010 0.000 0.298 204 S C -0.214 174.405 174.600 0.032 0.000 1.118 204 S CA -0.599 57.634 58.200 0.056 0.000 1.083 204 S CB 0.240 63.462 63.200 0.038 0.000 0.971 204 S HN 0.382 nan 8.310 nan 0.000 0.478 205 M N 1.358 120.956 119.600 -0.004 0.000 2.716 205 M HA 0.506 4.981 4.480 -0.010 0.000 0.278 205 M C 0.632 176.921 176.300 -0.019 0.000 1.281 205 M CA -0.946 54.335 55.300 -0.032 0.000 0.814 205 M CB 1.340 33.891 32.600 -0.082 0.000 1.719 205 M HN 0.681 nan 8.290 nan 0.000 0.457 206 G N 0.826 109.611 108.800 -0.025 0.000 2.720 206 G HA2 0.217 4.171 3.960 -0.010 0.000 0.237 206 G HA3 0.217 4.171 3.960 -0.010 0.000 0.237 206 G C -2.036 172.872 174.900 0.014 0.000 1.239 206 G CA -0.788 44.308 45.100 -0.007 0.000 0.847 206 G HN 0.494 nan 8.290 nan 0.000 0.593 207 P HA -0.016 nan 4.420 nan 0.000 0.236 207 P C 1.556 178.901 177.300 0.074 0.000 1.177 207 P CA 0.462 63.598 63.100 0.059 0.000 0.773 207 P CB 0.246 31.985 31.700 0.064 0.000 0.878 208 M N 0.431 120.063 119.600 0.053 0.000 2.191 208 M HA 0.036 4.510 4.480 -0.010 0.000 0.262 208 M C 1.851 178.174 176.300 0.039 0.000 1.083 208 M CA 1.534 56.865 55.300 0.052 0.000 1.154 208 M CB -1.348 31.270 32.600 0.030 0.000 1.344 208 M HN -0.259 nan 8.290 nan 0.000 0.431 209 N N -0.693 118.013 118.700 0.009 0.000 2.244 209 N HA -0.120 4.614 4.740 -0.010 0.000 0.183 209 N C 1.281 176.794 175.510 0.006 0.000 1.016 209 N CA 1.872 54.913 53.050 -0.015 0.000 0.866 209 N CB -0.212 38.235 38.487 -0.067 0.000 0.980 209 N HN 0.446 nan 8.380 nan 0.000 0.430 210 T N 1.426 115.997 114.554 0.028 0.000 2.708 210 T HA -0.135 4.209 4.350 -0.010 0.000 0.266 210 T C 1.901 176.680 174.700 0.132 0.000 1.037 210 T CA 0.926 63.075 62.100 0.081 0.000 1.146 210 T CB -0.340 68.577 68.868 0.082 0.000 0.865 210 T HN 0.142 nan 8.240 nan 0.000 0.435 211 L N 2.057 123.364 121.223 0.140 0.000 2.017 211 L HA -0.069 4.265 4.340 -0.010 0.000 0.208 211 L C 1.936 178.903 176.870 0.161 0.000 1.073 211 L CA 1.777 56.734 54.840 0.196 0.000 0.745 211 L CB -0.970 41.220 42.059 0.217 0.000 0.894 211 L HN 0.086 nan 8.230 nan 0.000 0.432 212 N N -0.669 118.088 118.700 0.095 0.000 2.205 212 N HA -0.154 4.580 4.740 -0.010 0.000 0.186 212 N C 1.931 177.491 175.510 0.083 0.000 1.015 212 N CA 1.464 54.553 53.050 0.064 0.000 0.862 212 N CB -0.415 38.092 38.487 0.033 0.000 0.986 212 N HN 0.371 nan 8.380 nan 0.000 0.429 213 S N 0.386 116.145 115.700 0.098 0.000 2.355 213 S HA -0.037 4.428 4.470 -0.010 0.000 0.222 213 S C 2.055 176.712 174.600 0.095 0.000 1.031 213 S CA 1.066 59.340 58.200 0.123 0.000 0.993 213 S CB -0.363 62.984 63.200 0.245 0.000 0.859 213 S HN 0.513 nan 8.310 nan 0.000 0.453 214 A N 1.552 124.444 122.820 0.121 0.000 1.933 214 A HA -0.105 4.209 4.320 -0.010 0.000 0.218 214 A C 2.271 180.128 177.584 0.456 0.000 1.175 214 A CA 2.001 54.122 52.037 0.139 0.000 0.628 214 A CB -0.705 18.381 19.000 0.144 0.000 0.814 214 A HN 0.620 nan 8.150 nan 0.000 0.444 215 S N -1.968 113.959 115.700 0.379 0.000 2.528 215 S HA 0.249 4.713 4.470 -0.010 0.000 0.219 215 S C 0.895 175.617 174.600 0.203 0.000 0.985 215 S CA 0.553 58.898 58.200 0.241 0.000 0.914 215 S CB 0.094 63.218 63.200 -0.127 0.000 0.776 215 S HN 0.644 nan 8.310 nan 0.000 0.526 216 L N -0.195 121.109 121.223 0.135 0.000 4.937 216 L HA -0.178 4.156 4.340 -0.010 0.000 0.422 216 L C 1.379 178.316 176.870 0.112 0.000 1.059 216 L CA 0.689 55.583 54.840 0.089 0.000 1.111 216 L CB -2.403 39.709 42.059 0.089 0.000 2.033 216 L HN 0.385 nan 8.230 nan 0.000 0.708 217 V N -0.313 119.657 119.914 0.093 0.000 2.427 217 V HA -0.221 3.893 4.120 -0.010 0.000 0.248 217 V C 2.212 178.389 176.094 0.138 0.000 1.051 217 V CA 2.316 64.684 62.300 0.113 0.000 1.048 217 V CB -0.412 31.404 31.823 -0.013 0.000 0.666 217 V HN 0.580 nan 8.190 nan 0.000 0.456 218 N N 0.801 119.553 118.700 0.086 0.000 2.061 218 N HA -0.257 4.477 4.740 -0.010 0.000 0.193 218 N C 1.758 177.321 175.510 0.088 0.000 1.030 218 N CA 1.871 54.963 53.050 0.069 0.000 0.856 218 N CB -0.213 38.294 38.487 0.034 0.000 1.023 218 N HN 0.231 nan 8.380 nan 0.000 0.424 219 K N -0.153 120.299 120.400 0.087 0.000 2.057 219 K HA 0.066 4.381 4.320 -0.010 0.000 0.207 219 K C 1.909 178.572 176.600 0.105 0.000 1.049 219 K CA 1.476 57.815 56.287 0.087 0.000 0.931 219 K CB -1.086 31.454 32.500 0.067 0.000 0.714 219 K HN 0.317 nan 8.250 nan 0.000 0.440 220 G N 0.737 109.615 108.800 0.130 0.000 2.446 220 G HA2 -0.241 3.713 3.960 -0.010 0.000 0.217 220 G HA3 -0.241 3.713 3.960 -0.010 0.000 0.217 220 G C 1.518 176.450 174.900 0.052 0.000 1.168 220 G CA 1.083 46.241 45.100 0.097 0.000 0.771 220 G HN 0.298 nan 8.290 nan 0.000 0.551 221 L N 0.121 121.439 121.223 0.159 0.000 2.042 221 L HA -0.121 4.213 4.340 -0.010 0.000 0.210 221 L C 2.882 179.808 176.870 0.094 0.000 1.076 221 L CA 1.503 56.417 54.840 0.123 0.000 0.749 221 L CB -0.422 41.719 42.059 0.136 0.000 0.893 221 L HN 0.309 nan 8.230 nan 0.000 0.432 222 E N -0.606 119.674 120.200 0.135 0.000 2.152 222 E HA -0.148 4.196 4.350 -0.010 0.000 0.192 222 E C 2.287 179.060 176.600 0.289 0.000 0.983 222 E CA 0.877 57.430 56.400 0.254 0.000 0.818 222 E CB 0.034 29.904 29.700 0.284 0.000 0.758 222 E HN 0.269 nan 8.360 nan 0.000 0.467 223 V N 1.315 121.335 119.914 0.178 0.000 2.343 223 V HA -0.257 3.857 4.120 -0.010 0.000 0.247 223 V C 2.177 178.413 176.094 0.236 0.000 1.051 223 V CA 1.515 63.925 62.300 0.183 0.000 1.036 223 V CB -0.319 31.597 31.823 0.155 0.000 0.654 223 V HN 0.254 nan 8.190 nan 0.000 0.451 224 I N -0.089 120.608 120.570 0.211 0.000 2.179 224 I HA -0.259 3.905 4.170 -0.010 0.000 0.242 224 I C 2.598 178.801 176.117 0.144 0.000 1.088 224 I CA 1.904 63.349 61.300 0.242 0.000 1.357 224 I CB -0.386 37.673 38.000 0.098 0.000 1.051 224 I HN 0.390 nan 8.210 nan 0.000 0.409 225 E N 0.564 120.807 120.200 0.072 0.000 2.085 225 E HA -0.243 4.101 4.350 -0.010 0.000 0.194 225 E C 2.036 178.635 176.600 -0.002 0.000 0.994 225 E CA 2.040 58.403 56.400 -0.063 0.000 0.801 225 E CB 0.041 29.566 29.700 -0.291 0.000 0.743 225 E HN 0.445 nan 8.360 nan 0.000 0.453 226 T N -0.546 114.151 114.554 0.239 0.000 2.652 226 T HA -0.223 4.122 4.350 -0.010 0.000 0.267 226 T C 1.626 176.412 174.700 0.143 0.000 1.039 226 T CA 1.739 64.038 62.100 0.332 0.000 1.153 226 T CB -0.606 68.435 68.868 0.287 0.000 0.863 226 T HN 0.427 nan 8.240 nan 0.000 0.428 227 H N 1.029 120.034 119.070 -0.108 0.000 2.352 227 H HA 0.034 4.584 4.556 -0.010 0.000 0.299 227 H C 1.981 177.210 175.328 -0.166 0.000 1.097 227 H CA 1.380 57.259 56.048 -0.282 0.000 1.311 227 H CB -0.500 28.780 29.762 -0.802 0.000 1.377 227 H HN 0.265 nan 8.280 nan 0.000 0.504 228 L N -0.470 120.642 121.223 -0.185 0.000 2.044 228 L HA -0.118 4.216 4.340 -0.010 0.000 0.205 228 L C 2.568 179.259 176.870 -0.299 0.000 1.075 228 L CA 0.929 55.632 54.840 -0.228 0.000 0.747 228 L CB -0.381 41.616 42.059 -0.103 0.000 0.903 228 L HN 0.295 nan 8.230 nan 0.000 0.435 229 L N -1.339 119.657 121.223 -0.378 0.000 2.056 229 L HA -0.168 4.167 4.340 -0.010 0.000 0.207 229 L C 1.972 178.446 176.870 -0.659 0.000 1.078 229 L CA 1.560 56.012 54.840 -0.647 0.000 0.749 229 L CB -0.225 41.192 42.059 -1.071 0.000 0.901 229 L HN 0.206 nan 8.230 nan 0.000 0.433 230 F N -1.466 118.406 119.950 -0.131 0.000 2.706 230 F HA 0.298 4.818 4.527 -0.012 0.000 0.308 230 F C 1.640 177.350 175.800 -0.150 0.000 1.095 230 F CA 0.299 58.230 58.000 -0.115 0.000 1.244 230 F CB 0.398 39.351 39.000 -0.079 0.000 1.063 230 F HN 0.096 nan 8.300 nan 0.000 0.582 231 G N 1.657 110.379 108.800 -0.130 0.000 2.179 231 G HA2 -0.275 3.679 3.960 -0.010 0.000 0.257 231 G HA3 -0.275 3.679 3.960 -0.010 0.000 0.257 231 G C 0.064 174.887 174.900 -0.129 0.000 1.010 231 G CA -0.161 44.805 45.100 -0.222 0.000 0.736 231 G HN 0.157 nan 8.290 nan 0.000 0.513 232 I N 1.020 121.553 120.570 -0.063 0.000 2.396 232 I HA 0.326 4.490 4.170 -0.010 0.000 0.292 232 I C -1.684 174.476 176.117 0.072 0.000 0.999 232 I CA -3.118 58.182 61.300 0.000 0.000 1.310 232 I CB 0.955 38.951 38.000 -0.007 0.000 1.404 232 I HN -0.144 nan 8.210 nan 0.000 0.496 233 P HA 0.053 nan 4.420 nan 0.000 0.269 233 P C 0.407 177.687 177.300 -0.032 0.000 1.215 233 P CA 0.122 63.263 63.100 0.067 0.000 0.780 233 P CB 0.358 32.095 31.700 0.063 0.000 0.898 234 Y N 1.031 121.311 120.300 -0.034 0.000 2.256 234 Y HA -0.236 4.308 4.550 -0.010 0.000 0.288 234 Y C 2.074 177.960 175.900 -0.023 0.000 1.155 234 Y CA 1.820 59.884 58.100 -0.060 0.000 1.203 234 Y CB -0.631 37.743 38.460 -0.143 0.000 0.980 234 Y HN 0.423 nan 8.280 nan 0.000 0.530 235 D N -0.280 120.190 120.400 0.116 0.000 2.363 235 D HA -0.087 4.547 4.640 -0.010 0.000 0.226 235 D C 1.106 177.427 176.300 0.036 0.000 1.020 235 D CA 0.587 54.628 54.000 0.068 0.000 0.892 235 D CB -0.310 40.520 40.800 0.050 0.000 0.900 235 D HN 0.285 nan 8.370 nan 0.000 0.531 236 R N -0.073 120.441 120.500 0.023 0.000 2.546 236 R HA 0.371 4.705 4.340 -0.010 0.000 0.320 236 R C -0.041 176.247 176.300 -0.020 0.000 1.021 236 R CA -0.241 55.855 56.100 -0.006 0.000 1.088 236 R CB 0.777 31.066 30.300 -0.018 0.000 1.278 236 R HN 0.182 nan 8.270 nan 0.000 0.557 237 I N 1.682 122.255 120.570 0.005 0.000 2.359 237 I HA 0.186 4.350 4.170 -0.010 0.000 0.284 237 I C -0.674 175.458 176.117 0.025 0.000 1.018 237 I CA -0.635 60.668 61.300 0.005 0.000 1.173 237 I CB 1.312 39.322 38.000 0.017 0.000 1.326 237 I HN -0.175 nan 8.210 nan 0.000 0.462 238 D N 5.338 125.739 120.400 0.003 0.000 2.229 238 D HA 0.499 5.133 4.640 -0.010 0.000 0.249 238 D C -0.426 175.887 176.300 0.022 0.000 1.027 238 D CA -0.228 53.780 54.000 0.013 0.000 0.923 238 D CB 2.642 43.439 40.800 -0.004 0.000 1.174 238 D HN 0.029 nan 8.370 nan 0.000 0.443 239 V N 1.542 121.479 119.914 0.039 0.000 2.540 239 V HA 0.453 4.567 4.120 -0.010 0.000 0.302 239 V C -0.293 175.840 176.094 0.065 0.000 1.035 239 V CA -0.684 61.646 62.300 0.051 0.000 0.873 239 V CB 2.068 33.925 31.823 0.058 0.000 0.992 239 V HN 0.264 nan 8.190 nan 0.000 0.428 240 V N 5.006 124.973 119.914 0.089 0.000 2.588 240 V HA 0.434 4.548 4.120 -0.010 0.000 0.304 240 V C -0.223 175.967 176.094 0.160 0.000 1.042 240 V CA -0.798 61.583 62.300 0.134 0.000 0.877 240 V CB 2.296 34.221 31.823 0.170 0.000 0.996 240 V HN 0.583 nan 8.190 nan 0.000 0.425 241 V N 3.948 123.946 119.914 0.141 0.000 2.508 241 V HA 0.234 4.348 4.120 -0.010 0.000 0.281 241 V C -0.196 175.981 176.094 0.137 0.000 1.041 241 V CA -0.041 62.320 62.300 0.101 0.000 1.016 241 V CB 0.618 32.466 31.823 0.042 0.000 0.984 241 V HN 0.947 nan 8.190 nan 0.000 0.478 242 H N 7.491 126.531 119.070 -0.050 0.000 2.854 242 H HA 0.424 4.977 4.556 -0.006 0.000 0.275 242 H C -2.353 172.874 175.328 -0.169 0.000 1.198 242 H CA -2.101 53.820 56.048 -0.211 0.000 1.489 242 H CB 1.970 31.574 29.762 -0.264 0.000 1.519 242 H HN 0.309 nan 8.280 nan 0.000 0.503 243 P HA -0.147 nan 4.420 nan 0.000 0.219 243 P C 0.997 178.052 177.300 -0.408 0.000 1.146 243 P CA 1.071 63.996 63.100 -0.291 0.000 0.808 243 P CB 0.477 32.068 31.700 -0.182 0.000 0.779 244 Q N -1.091 118.294 119.800 -0.693 0.000 2.297 244 Q HA 0.043 4.377 4.340 -0.010 0.000 0.204 244 Q C 0.896 176.564 176.000 -0.553 0.000 0.962 244 Q CA 0.674 56.130 55.803 -0.579 0.000 0.879 244 Q CB -0.813 27.634 28.738 -0.485 0.000 0.947 244 Q HN 0.025 nan 8.270 nan 0.000 0.462 245 S N -0.747 114.566 115.700 -0.645 0.000 3.581 245 S HA -0.219 4.245 4.470 -0.010 0.000 0.354 245 S C 0.713 175.155 174.600 -0.264 0.000 1.059 245 S CA 0.731 58.802 58.200 -0.216 0.000 1.060 245 S CB -1.832 61.322 63.200 -0.078 0.000 0.908 245 S HN 0.404 nan 8.310 nan 0.000 0.475 246 I N -0.110 120.236 120.570 -0.375 0.000 2.685 246 I HA 0.109 4.273 4.170 -0.010 0.000 0.251 246 I C 1.026 176.596 176.117 -0.912 0.000 1.102 246 I CA 0.324 61.282 61.300 -0.571 0.000 1.442 246 I CB 0.047 37.667 38.000 -0.634 0.000 1.194 246 I HN 0.332 nan 8.210 nan 0.000 0.448 247 I N 2.595 122.744 120.570 -0.702 0.000 2.587 247 I HA -0.087 4.077 4.170 -0.010 0.000 0.284 247 I C 1.032 176.930 176.117 -0.364 0.000 1.134 247 I CA 0.735 61.673 61.300 -0.604 0.000 1.410 247 I CB 0.218 37.894 38.000 -0.539 0.000 1.392 247 I HN 0.361 nan 8.210 nan 0.000 0.545 248 H N 3.524 122.598 119.070 0.007 0.000 2.648 248 H HA 0.340 4.888 4.556 -0.013 0.000 0.265 248 H C 0.269 175.615 175.328 0.032 0.000 0.961 248 H CA 0.086 56.180 56.048 0.076 0.000 1.185 248 H CB 1.067 30.891 29.762 0.104 0.000 1.449 248 H HN 0.601 nan 8.280 nan 0.000 0.523 249 S N -0.503 115.242 115.700 0.076 0.000 2.718 249 S HA 0.351 4.815 4.470 -0.010 0.000 0.271 249 S C -1.338 173.251 174.600 -0.017 0.000 0.999 249 S CA -0.789 57.417 58.200 0.011 0.000 0.899 249 S CB 1.241 64.419 63.200 -0.036 0.000 1.148 249 S HN 0.110 nan 8.310 nan 0.000 0.463 250 M N 1.242 120.808 119.600 -0.056 0.000 2.569 250 M HA 0.652 5.126 4.480 -0.010 0.000 0.279 250 M C -1.605 174.613 176.300 -0.137 0.000 1.253 250 M CA -0.846 54.412 55.300 -0.070 0.000 0.867 250 M CB 2.180 34.738 32.600 -0.069 0.000 1.727 250 M HN 0.345 nan 8.290 nan 0.000 0.467 251 V N 0.726 120.541 119.914 -0.165 0.000 2.487 251 V HA 0.480 4.594 4.120 -0.010 0.000 0.298 251 V C -0.443 175.415 176.094 -0.394 0.000 1.028 251 V CA -0.561 61.529 62.300 -0.350 0.000 0.860 251 V CB 1.982 33.512 31.823 -0.489 0.000 0.991 251 V HN 0.893 nan 8.190 nan 0.000 0.427 252 T N 5.745 120.067 114.554 -0.387 0.000 2.767 252 T HA 0.632 4.977 4.350 -0.010 0.000 0.288 252 T C -0.424 174.036 174.700 -0.401 0.000 0.963 252 T CA 0.077 62.020 62.100 -0.261 0.000 1.019 252 T CB 0.358 69.142 68.868 -0.140 0.000 0.923 252 T HN 0.288 nan 8.240 nan 0.000 0.468 253 F N 1.749 121.680 119.950 -0.033 0.000 2.411 253 F HA 0.413 4.934 4.527 -0.010 0.000 0.324 253 F C 1.891 177.679 175.800 -0.021 0.000 1.086 253 F CA -1.327 56.658 58.000 -0.026 0.000 1.028 253 F CB 0.596 39.583 39.000 -0.022 0.000 1.284 253 F HN 0.540 nan 8.300 nan 0.000 0.501 254 I N -1.467 119.214 120.570 0.186 0.000 2.850 254 I HA -0.142 4.023 4.170 -0.010 0.000 0.266 254 I C 1.095 177.256 176.117 0.072 0.000 1.257 254 I CA 1.141 62.495 61.300 0.090 0.000 1.465 254 I CB -0.593 37.451 38.000 0.072 0.000 1.091 254 I HN 0.544 nan 8.210 nan 0.000 0.467 255 D N 0.919 121.374 120.400 0.091 0.000 2.350 255 D HA 0.150 4.785 4.640 -0.010 0.000 0.213 255 D C 1.683 178.011 176.300 0.046 0.000 1.031 255 D CA 0.743 54.775 54.000 0.052 0.000 0.861 255 D CB 0.276 41.096 40.800 0.033 0.000 0.926 255 D HN 0.480 nan 8.370 nan 0.000 0.520 256 G N -0.362 108.475 108.800 0.062 0.000 2.201 256 G HA2 -0.231 3.723 3.960 -0.010 0.000 0.212 256 G HA3 -0.231 3.723 3.960 -0.010 0.000 0.212 256 G C 0.252 175.185 174.900 0.056 0.000 0.994 256 G CA 0.147 45.272 45.100 0.042 0.000 0.644 256 G HN 0.540 nan 8.290 nan 0.000 0.508 257 S N 0.735 116.494 115.700 0.100 0.000 2.548 257 S HA 0.622 5.086 4.470 -0.010 0.000 0.277 257 S C 0.335 175.052 174.600 0.194 0.000 1.315 257 S CA 0.860 59.131 58.200 0.117 0.000 1.050 257 S CB 0.849 64.103 63.200 0.091 0.000 0.918 257 S HN 0.440 nan 8.310 nan 0.000 0.497 258 T N 5.876 120.503 114.554 0.122 0.000 2.797 258 T HA 0.515 4.859 4.350 -0.010 0.000 0.279 258 T C -0.660 174.120 174.700 0.134 0.000 0.991 258 T CA -0.537 61.623 62.100 0.100 0.000 0.979 258 T CB 0.629 69.495 68.868 -0.003 0.000 0.943 258 T HN 0.465 nan 8.240 nan 0.000 0.444 259 I N 2.923 123.605 120.570 0.187 0.000 2.378 259 I HA 0.669 4.833 4.170 -0.010 0.000 0.291 259 I C 0.193 176.366 176.117 0.093 0.000 0.992 259 I CA -0.877 60.524 61.300 0.169 0.000 1.154 259 I CB 1.092 39.259 38.000 0.279 0.000 1.315 259 I HN 0.693 nan 8.210 nan 0.000 0.448 260 A N 6.613 129.481 122.820 0.080 0.000 2.380 260 A HA 0.676 4.991 4.320 -0.010 0.000 0.315 260 A C -0.725 176.900 177.584 0.068 0.000 1.101 260 A CA -0.578 51.490 52.037 0.053 0.000 0.771 260 A CB 2.312 21.341 19.000 0.048 0.000 1.287 260 A HN 0.656 nan 8.150 nan 0.000 0.436 261 Q N 0.673 120.504 119.800 0.052 0.000 2.312 261 Q HA 0.691 5.025 4.340 -0.010 0.000 0.263 261 Q C -1.175 174.835 176.000 0.017 0.000 0.995 261 Q CA -0.488 55.364 55.803 0.082 0.000 0.853 261 Q CB 1.907 30.722 28.738 0.129 0.000 1.300 261 Q HN 1.114 nan 8.270 nan 0.000 0.448 262 A N 2.404 125.237 122.820 0.022 0.000 2.486 262 A HA 0.809 5.123 4.320 -0.010 0.000 0.300 262 A C -1.240 176.356 177.584 0.021 0.000 1.048 262 A CA -0.134 51.812 52.037 -0.150 0.000 0.696 262 A CB 1.599 20.418 19.000 -0.301 0.000 1.278 262 A HN 0.874 nan 8.150 nan 0.000 0.405 263 S N 0.768 116.469 115.700 0.001 0.000 2.586 263 S HA 0.730 5.194 4.470 -0.010 0.000 0.277 263 S C -3.483 171.171 174.600 0.091 0.000 1.131 263 S CA -1.179 57.088 58.200 0.112 0.000 0.848 263 S CB 1.122 64.440 63.200 0.198 0.000 1.091 263 S HN 0.371 nan 8.310 nan 0.000 0.453 264 P HA 0.258 nan 4.420 nan 0.000 0.265 264 P C -2.606 174.655 177.300 -0.065 0.000 1.187 264 P CA -0.607 62.454 63.100 -0.066 0.000 0.766 264 P CB -0.687 30.968 31.700 -0.075 0.000 0.820 265 P HA 0.022 nan 4.420 nan 0.000 0.256 265 P C -0.649 176.443 177.300 -0.347 0.000 1.189 265 P CA 1.108 63.826 63.100 -0.637 0.000 0.808 265 P CB -0.016 30.889 31.700 -1.326 0.000 0.793 266 D N 4.033 124.422 120.400 -0.018 0.000 2.452 266 D HA 0.116 4.750 4.640 -0.010 0.000 0.226 266 D C 0.774 177.190 176.300 0.194 0.000 1.366 266 D CA -0.350 53.709 54.000 0.099 0.000 0.986 266 D CB 0.946 41.763 40.800 0.029 0.000 1.420 266 D HN -0.041 nan 8.370 nan 0.000 0.583 267 M N 2.318 122.068 119.600 0.249 0.000 2.539 267 M HA -0.026 4.448 4.480 -0.010 0.000 0.261 267 M C 1.472 177.798 176.300 0.043 0.000 1.069 267 M CA 0.917 56.286 55.300 0.115 0.000 1.081 267 M CB -0.410 32.218 32.600 0.046 0.000 1.412 267 M HN 0.377 nan 8.290 nan 0.000 0.482 268 K N -0.232 120.197 120.400 0.049 0.000 2.283 268 K HA -0.142 4.172 4.320 -0.010 0.000 0.202 268 K C 1.827 178.449 176.600 0.035 0.000 1.048 268 K CA 0.637 56.941 56.287 0.028 0.000 0.948 268 K CB -0.124 32.393 32.500 0.029 0.000 0.742 268 K HN 0.139 nan 8.250 nan 0.000 0.458 269 L N 1.980 123.231 121.223 0.047 0.000 1.961 269 L HA -0.087 4.247 4.340 -0.010 0.000 0.209 269 L C -1.270 175.636 176.870 0.059 0.000 1.075 269 L CA 1.772 56.645 54.840 0.056 0.000 0.749 269 L CB -1.034 41.061 42.059 0.059 0.000 0.890 269 L HN 0.026 nan 8.230 nan 0.000 0.433 270 P HA -0.175 nan 4.420 nan 0.000 0.216 270 P C 2.168 179.489 177.300 0.035 0.000 1.150 270 P CA 1.789 64.916 63.100 0.045 0.000 0.837 270 P CB -0.075 31.623 31.700 -0.003 0.000 0.786 271 I N 0.962 121.532 120.570 -0.000 0.000 2.118 271 I HA -0.294 3.870 4.170 -0.010 0.000 0.241 271 I C 2.781 178.879 176.117 -0.033 0.000 1.070 271 I CA 2.348 63.628 61.300 -0.034 0.000 1.327 271 I CB -0.964 37.002 38.000 -0.056 0.000 1.034 271 I HN 0.079 nan 8.210 nan 0.000 0.405 272 S N 0.892 116.594 115.700 0.003 0.000 2.368 272 S HA -0.193 4.271 4.470 -0.010 0.000 0.225 272 S C 1.993 176.670 174.600 0.128 0.000 1.030 272 S CA 1.015 59.239 58.200 0.040 0.000 0.999 272 S CB -0.798 62.461 63.200 0.099 0.000 0.844 272 S HN 0.334 nan 8.310 nan 0.000 0.459 273 L N 2.034 123.345 121.223 0.147 0.000 2.093 273 L HA 0.267 4.601 4.340 -0.010 0.000 0.208 273 L C 2.708 179.775 176.870 0.328 0.000 1.085 273 L CA 1.481 56.459 54.840 0.230 0.000 0.755 273 L CB -1.321 40.887 42.059 0.247 0.000 0.904 273 L HN 0.381 nan 8.230 nan 0.000 0.435 274 A N -0.683 122.264 122.820 0.212 0.000 1.902 274 A HA -0.147 4.167 4.320 -0.010 0.000 0.217 274 A C 2.238 179.898 177.584 0.128 0.000 1.181 274 A CA 1.831 53.960 52.037 0.152 0.000 0.623 274 A CB -0.768 18.247 19.000 0.025 0.000 0.818 274 A HN 0.469 nan 8.150 nan 0.000 0.443 275 L N -1.099 120.146 121.223 0.037 0.000 2.056 275 L HA -0.074 4.260 4.340 -0.010 0.000 0.207 275 L C 2.466 179.504 176.870 0.281 0.000 1.078 275 L CA 1.162 55.978 54.840 -0.041 0.000 0.749 275 L CB -0.481 41.236 42.059 -0.571 0.000 0.901 275 L HN 0.500 nan 8.230 nan 0.000 0.433 276 G N -2.138 106.903 108.800 0.402 0.000 3.088 276 G HA2 -0.104 3.850 3.960 -0.010 0.000 0.217 276 G HA3 -0.104 3.850 3.960 -0.010 0.000 0.217 276 G C 0.348 175.408 174.900 0.268 0.000 1.159 276 G CA -0.536 44.822 45.100 0.430 0.000 0.760 276 G HN 0.185 nan 8.290 nan 0.000 0.550 277 W N 2.583 123.952 121.300 0.114 0.000 2.484 277 W HA 0.026 4.678 4.660 -0.013 0.000 0.337 277 W C -1.427 175.130 176.519 0.064 0.000 1.214 277 W CA -0.762 56.629 57.345 0.077 0.000 1.296 277 W CB 0.979 30.475 29.460 0.059 0.000 1.174 277 W HN 0.127 nan 8.180 nan 0.000 0.564 278 P HA 0.048 nan 4.420 nan 0.000 0.255 278 P C -0.023 176.940 177.300 -0.563 0.000 1.248 278 P CA 0.583 63.053 63.100 -1.049 0.000 0.807 278 P CB 0.206 31.467 31.700 -0.731 0.000 1.150 279 R N 1.043 121.400 120.500 -0.238 0.000 2.340 279 R HA 0.289 4.623 4.340 -0.010 0.000 0.300 279 R C 0.644 176.900 176.300 -0.074 0.000 1.069 279 R CA -0.346 55.672 56.100 -0.137 0.000 0.984 279 R CB 0.818 31.074 30.300 -0.074 0.000 1.003 279 R HN 0.113 nan 8.270 nan 0.000 0.459 280 R N 1.265 121.723 120.500 -0.069 0.000 2.582 280 R HA 0.183 4.517 4.340 -0.010 0.000 0.271 280 R C -0.405 175.911 176.300 0.028 0.000 1.078 280 R CA -0.406 55.688 56.100 -0.009 0.000 1.127 280 R CB 0.786 31.077 30.300 -0.016 0.000 1.038 280 R HN 0.254 nan 8.270 nan 0.000 0.500 281 V N 2.060 122.017 119.914 0.072 0.000 2.318 281 V HA 0.048 4.163 4.120 -0.010 0.000 0.271 281 V C 0.439 176.571 176.094 0.064 0.000 1.030 281 V CA -0.372 61.981 62.300 0.089 0.000 0.844 281 V CB 1.280 33.212 31.823 0.182 0.000 1.015 281 V HN 0.786 nan 8.190 nan 0.000 0.460 282 S N 4.385 120.108 115.700 0.038 0.000 2.563 282 S HA 0.323 4.788 4.470 -0.010 0.000 0.294 282 S C 1.405 176.030 174.600 0.041 0.000 1.279 282 S CA 0.882 59.101 58.200 0.032 0.000 1.069 282 S CB 0.030 63.241 63.200 0.017 0.000 0.828 282 S HN 1.910 nan 8.310 nan 0.000 0.497 283 G N 3.309 112.133 108.800 0.039 0.000 2.168 283 G HA2 -0.269 3.685 3.960 -0.010 0.000 0.257 283 G HA3 -0.269 3.685 3.960 -0.010 0.000 0.257 283 G C 0.937 175.864 174.900 0.045 0.000 0.997 283 G CA 0.475 45.598 45.100 0.039 0.000 0.708 283 G HN 1.371 nan 8.290 nan 0.000 0.520 284 A N -1.016 121.837 122.820 0.055 0.000 1.940 284 A HA 0.556 4.870 4.320 -0.010 0.000 0.219 284 A C 1.577 179.190 177.584 0.048 0.000 1.176 284 A CA 2.429 54.502 52.037 0.060 0.000 0.631 284 A CB -0.086 18.958 19.000 0.073 0.000 0.814 284 A HN 2.395 nan 8.150 nan 0.000 0.446 285 A N -2.776 120.070 122.820 0.044 0.000 2.610 285 A HA 0.678 4.992 4.320 -0.010 0.000 0.291 285 A C -0.179 177.423 177.584 0.029 0.000 1.086 285 A CA -0.146 51.913 52.037 0.036 0.000 0.677 285 A CB 0.044 19.069 19.000 0.043 0.000 1.278 285 A HN 1.487 nan 8.150 nan 0.000 0.414 286 A N 0.240 123.070 122.820 0.017 0.000 2.425 286 A HA 0.647 4.961 4.320 -0.010 0.000 0.249 286 A C 0.689 178.277 177.584 0.007 0.000 1.084 286 A CA 0.482 52.523 52.037 0.006 0.000 0.781 286 A CB -0.095 18.900 19.000 -0.010 0.000 1.019 286 A HN 2.384 nan 8.150 nan 0.000 0.490 287 A N 0.929 123.749 122.820 0.000 0.000 2.264 287 A HA 0.510 4.824 4.320 -0.010 0.000 0.304 287 A C 0.413 177.954 177.584 -0.071 0.000 1.100 287 A CA -0.390 51.646 52.037 -0.002 0.000 0.839 287 A CB -0.025 18.989 19.000 0.023 0.000 1.121 287 A HN 1.028 nan 8.150 nan 0.000 0.496 288 C N 1.269 120.507 119.300 -0.104 0.000 2.563 288 C HA 0.147 4.602 4.460 -0.010 0.000 0.411 288 C C 0.569 175.234 174.990 -0.542 0.000 1.386 288 C CA 0.570 59.392 59.018 -0.328 0.000 1.703 288 C CB -1.098 26.416 27.740 -0.376 0.000 2.596 288 C HN 0.807 nan 8.230 nan 0.000 0.605 289 D N 1.220 121.299 120.400 -0.537 0.000 2.427 289 D HA 0.346 4.980 4.640 -0.010 0.000 0.226 289 D C -0.120 175.862 176.300 -0.530 0.000 1.076 289 D CA -0.445 53.293 54.000 -0.436 0.000 0.849 289 D CB 0.184 40.866 40.800 -0.197 0.000 1.052 289 D HN 0.475 nan 8.370 nan 0.000 0.515 290 F N 1.506 121.323 119.950 -0.222 0.000 2.645 290 F HA 0.191 4.717 4.527 -0.003 0.000 0.300 290 F C 1.331 177.055 175.800 -0.126 0.000 1.115 290 F CA -0.163 57.738 58.000 -0.165 0.000 1.355 290 F CB 0.168 39.084 39.000 -0.140 0.000 1.026 290 F HN 0.537 nan 8.300 nan 0.000 0.536 291 H N -1.957 117.174 119.070 0.101 0.000 2.539 291 H HA 0.135 4.685 4.556 -0.010 0.000 0.269 291 H C 0.795 176.145 175.328 0.037 0.000 0.980 291 H CA 0.153 56.240 56.048 0.064 0.000 1.152 291 H CB 0.567 30.355 29.762 0.043 0.000 1.407 291 H HN 0.015 nan 8.280 nan 0.000 0.564 292 T N 0.178 114.796 114.554 0.107 0.000 2.906 292 T HA 0.613 4.957 4.350 -0.010 0.000 0.295 292 T C -0.614 174.112 174.700 0.043 0.000 1.061 292 T CA -0.693 61.444 62.100 0.063 0.000 1.000 292 T CB 1.110 70.001 68.868 0.038 0.000 1.103 292 T HN 0.268 nan 8.240 nan 0.000 0.486 293 A N 2.583 125.423 122.820 0.033 0.000 2.483 293 A HA 0.631 4.945 4.320 -0.010 0.000 0.238 293 A C 0.465 178.056 177.584 0.012 0.000 1.070 293 A CA 0.273 52.322 52.037 0.021 0.000 0.770 293 A CB -0.336 18.672 19.000 0.013 0.000 1.008 293 A HN 1.437 nan 8.150 nan 0.000 0.497 294 S N -0.015 115.684 115.700 -0.001 0.000 2.611 294 S HA 0.789 5.254 4.470 -0.010 0.000 0.268 294 S C -0.710 173.872 174.600 -0.030 0.000 1.156 294 S CA -0.049 58.156 58.200 0.008 0.000 0.817 294 S CB 1.129 64.358 63.200 0.049 0.000 1.122 294 S HN 2.155 nan 8.310 nan 0.000 0.466 295 S N 0.076 115.797 115.700 0.034 0.000 2.540 295 S HA 0.763 5.228 4.470 -0.010 0.000 0.275 295 S C -1.980 172.783 174.600 0.272 0.000 1.123 295 S CA -0.717 57.505 58.200 0.036 0.000 0.907 295 S CB 0.839 64.065 63.200 0.043 0.000 1.081 295 S HN 0.774 nan 8.310 nan 0.000 0.476 296 W N 1.828 123.165 121.300 0.062 0.000 2.318 296 W HA 0.523 5.178 4.660 -0.008 0.000 0.315 296 W C -0.054 176.407 176.519 -0.096 0.000 1.033 296 W CA -1.076 56.297 57.345 0.046 0.000 1.275 296 W CB 0.227 29.729 29.460 0.070 0.000 1.250 296 W HN 0.761 nan 8.180 nan 0.000 0.421 297 E N 2.024 122.234 120.200 0.017 0.000 2.202 297 E HA 0.665 5.009 4.350 -0.010 0.000 0.272 297 E C -1.202 175.189 176.600 -0.348 0.000 0.951 297 E CA -0.818 55.552 56.400 -0.051 0.000 0.813 297 E CB 1.837 31.546 29.700 0.015 0.000 1.151 297 E HN 0.073 nan 8.360 nan 0.000 0.398 298 F N 1.065 121.118 119.950 0.173 0.000 2.565 298 F HA 0.346 4.870 4.527 -0.006 0.000 0.313 298 F C -0.016 175.840 175.800 0.093 0.000 1.091 298 F CA -0.828 57.249 58.000 0.129 0.000 0.915 298 F CB 1.914 40.960 39.000 0.076 0.000 1.208 298 F HN 0.384 nan 8.300 nan 0.000 0.453 299 E N 1.791 122.134 120.200 0.237 0.000 2.390 299 E HA 0.520 4.865 4.350 -0.010 0.000 0.277 299 E C -3.273 173.412 176.600 0.141 0.000 0.939 299 E CA -2.560 53.936 56.400 0.160 0.000 0.769 299 E CB 2.575 32.343 29.700 0.114 0.000 1.251 299 E HN 0.113 nan 8.360 nan 0.000 0.450 300 P HA 0.032 nan 4.420 nan 0.000 0.271 300 P C -0.398 176.961 177.300 0.099 0.000 1.218 300 P CA -0.574 62.586 63.100 0.100 0.000 0.780 300 P CB 0.562 32.314 31.700 0.087 0.000 0.901 301 L N 2.507 123.785 121.223 0.093 0.000 2.416 301 L HA 0.181 4.515 4.340 -0.010 0.000 0.272 301 L C 0.303 177.257 176.870 0.140 0.000 1.161 301 L CA 0.278 55.177 54.840 0.098 0.000 0.845 301 L CB -0.423 41.686 42.059 0.083 0.000 1.119 301 L HN 0.241 nan 8.230 nan 0.000 0.464 302 D N 2.528 123.052 120.400 0.205 0.000 2.435 302 D HA 0.046 4.680 4.640 -0.010 0.000 0.230 302 D C 1.090 177.546 176.300 0.261 0.000 1.215 302 D CA 0.428 54.567 54.000 0.232 0.000 0.947 302 D CB 0.811 41.778 40.800 0.278 0.000 1.048 302 D HN 0.760 nan 8.370 nan 0.000 0.512 303 T N -0.061 114.596 114.554 0.172 0.000 3.055 303 T HA -0.088 4.256 4.350 -0.010 0.000 0.265 303 T C 1.102 175.868 174.700 0.110 0.000 1.111 303 T CA 0.439 62.630 62.100 0.153 0.000 1.118 303 T CB 0.240 69.173 68.868 0.109 0.000 0.909 303 T HN 0.165 nan 8.240 nan 0.000 0.501 304 D N 1.302 121.752 120.400 0.083 0.000 2.123 304 D HA 0.001 4.635 4.640 -0.010 0.000 0.200 304 D C 2.227 178.517 176.300 -0.017 0.000 0.976 304 D CA 0.791 54.812 54.000 0.035 0.000 0.831 304 D CB -0.079 40.739 40.800 0.031 0.000 0.974 304 D HN 0.340 nan 8.370 nan 0.000 0.469 305 V N -0.060 119.831 119.914 -0.039 0.000 2.591 305 V HA -0.073 4.041 4.120 -0.010 0.000 0.249 305 V C 0.588 176.379 176.094 -0.506 0.000 1.053 305 V CA 0.932 63.067 62.300 -0.275 0.000 1.068 305 V CB -0.211 31.433 31.823 -0.298 0.000 0.689 305 V HN 0.026 nan 8.190 nan 0.000 0.462 306 F N 1.231 121.219 119.950 0.064 0.000 2.449 306 F HA 0.403 4.926 4.527 -0.007 0.000 0.344 306 F C -1.753 174.078 175.800 0.050 0.000 1.180 306 F CA -1.766 56.269 58.000 0.058 0.000 1.209 306 F CB 1.133 40.179 39.000 0.078 0.000 1.440 306 F HN 0.047 nan 8.300 nan 0.000 0.526 307 P HA 0.019 nan 4.420 nan 0.000 0.249 307 P C 1.349 178.727 177.300 0.129 0.000 1.229 307 P CA 0.526 63.695 63.100 0.115 0.000 0.788 307 P CB 0.392 32.133 31.700 0.070 0.000 1.072 308 A N 0.478 123.389 122.820 0.153 0.000 1.986 308 A HA -0.144 4.170 4.320 -0.010 0.000 0.220 308 A C 2.274 179.979 177.584 0.203 0.000 1.171 308 A CA 1.833 53.980 52.037 0.183 0.000 0.640 308 A CB -1.544 17.555 19.000 0.165 0.000 0.811 308 A HN 0.115 nan 8.150 nan 0.000 0.451 309 V N -0.145 119.856 119.914 0.145 0.000 2.453 309 V HA -0.149 3.965 4.120 -0.010 0.000 0.247 309 V C 2.515 178.636 176.094 0.045 0.000 1.048 309 V CA 1.840 64.195 62.300 0.092 0.000 1.049 309 V CB -0.632 31.245 31.823 0.089 0.000 0.672 309 V HN 0.479 nan 8.190 nan 0.000 0.457 310 E N 0.390 120.628 120.200 0.063 0.000 2.077 310 E HA -0.173 4.171 4.350 -0.010 0.000 0.193 310 E C 2.223 178.831 176.600 0.013 0.000 0.989 310 E CA 1.210 57.631 56.400 0.035 0.000 0.800 310 E CB -0.400 29.333 29.700 0.055 0.000 0.746 310 E HN 0.504 nan 8.360 nan 0.000 0.452 311 L N 0.391 121.656 121.223 0.070 0.000 2.083 311 L HA -0.179 4.156 4.340 -0.010 0.000 0.209 311 L C 2.513 179.347 176.870 -0.060 0.000 1.083 311 L CA 1.142 56.042 54.840 0.100 0.000 0.752 311 L CB -0.528 41.666 42.059 0.225 0.000 0.899 311 L HN 0.066 nan 8.230 nan 0.000 0.433 312 A N 0.273 122.953 122.820 -0.233 0.000 1.877 312 A HA -0.213 4.102 4.320 -0.010 0.000 0.216 312 A C 2.370 179.668 177.584 -0.477 0.000 1.186 312 A CA 1.527 53.150 52.037 -0.691 0.000 0.620 312 A CB -0.468 18.180 19.000 -0.586 0.000 0.822 312 A HN 0.314 nan 8.150 nan 0.000 0.443 313 R N -0.570 119.735 120.500 -0.325 0.000 2.083 313 R HA -0.198 4.136 4.340 -0.010 0.000 0.237 313 R C 2.525 178.533 176.300 -0.487 0.000 1.137 313 R CA 1.887 57.712 56.100 -0.458 0.000 0.951 313 R CB -0.428 29.758 30.300 -0.190 0.000 0.851 313 R HN 0.696 nan 8.270 nan 0.000 0.434 314 Q N 0.020 119.669 119.800 -0.251 0.000 2.030 314 Q HA -0.177 4.157 4.340 -0.010 0.000 0.204 314 Q C 2.292 178.178 176.000 -0.188 0.000 0.986 314 Q CA 1.808 57.516 55.803 -0.157 0.000 0.843 314 Q CB -0.241 28.490 28.738 -0.012 0.000 0.904 314 Q HN 0.411 nan 8.270 nan 0.000 0.420 315 A N 0.751 123.450 122.820 -0.201 0.000 1.902 315 A HA -0.134 4.180 4.320 -0.010 0.000 0.217 315 A C 2.279 179.721 177.584 -0.237 0.000 1.181 315 A CA 1.732 53.671 52.037 -0.163 0.000 0.623 315 A CB -1.214 17.695 19.000 -0.152 0.000 0.818 315 A HN 0.505 nan 8.150 nan 0.000 0.443 316 G N -0.742 107.778 108.800 -0.468 0.000 2.402 316 G HA2 -0.068 3.886 3.960 -0.010 0.000 0.216 316 G HA3 -0.068 3.886 3.960 -0.010 0.000 0.216 316 G C 1.501 176.126 174.900 -0.459 0.000 1.162 316 G CA 1.145 45.917 45.100 -0.546 0.000 0.777 316 G HN 0.309 nan 8.290 nan 0.000 0.539 317 V N 1.613 121.177 119.914 -0.583 0.000 2.343 317 V HA -0.147 3.967 4.120 -0.010 0.000 0.247 317 V C 3.339 179.368 176.094 -0.108 0.000 1.051 317 V CA 2.010 64.157 62.300 -0.256 0.000 1.036 317 V CB -0.851 30.840 31.823 -0.219 0.000 0.654 317 V HN 0.469 nan 8.190 nan 0.000 0.451 318 A N -0.858 121.900 122.820 -0.104 0.000 1.908 318 A HA 0.207 4.522 4.320 -0.010 0.000 0.218 318 A C 1.723 179.303 177.584 -0.007 0.000 1.181 318 A CA 1.837 53.852 52.037 -0.036 0.000 0.627 318 A CB -1.012 17.979 19.000 -0.016 0.000 0.818 318 A HN 1.269 nan 8.150 nan 0.000 0.445 319 G N -2.898 105.898 108.800 -0.007 0.000 2.642 319 G HA2 0.266 4.220 3.960 -0.010 0.000 0.231 319 G HA3 0.266 4.220 3.960 -0.010 0.000 0.231 319 G C 1.252 176.184 174.900 0.054 0.000 1.338 319 G CA 0.669 45.794 45.100 0.041 0.000 0.883 319 G HN 2.338 nan 8.290 nan 0.000 0.570 320 G N -1.910 106.928 108.800 0.064 0.000 2.596 320 G HA2 -0.193 3.761 3.960 -0.010 0.000 0.304 320 G HA3 -0.193 3.761 3.960 -0.010 0.000 0.304 320 G C 1.401 176.349 174.900 0.080 0.000 1.189 320 G CA 1.858 47.001 45.100 0.070 0.000 0.986 320 G HN 2.184 nan 8.290 nan 0.000 0.548 321 C N 0.280 119.649 119.300 0.116 0.000 2.673 321 C HA 0.428 4.882 4.460 -0.010 0.000 0.274 321 C C 2.516 177.558 174.990 0.086 0.000 1.276 321 C CA 1.076 60.154 59.018 0.101 0.000 1.701 321 C CB -0.900 26.929 27.740 0.148 0.000 1.836 321 C HN 0.565 nan 8.230 nan 0.000 0.596 322 M N 2.137 121.797 119.600 0.101 0.000 2.229 322 M HA -0.096 4.378 4.480 -0.010 0.000 0.264 322 M C 2.411 178.758 176.300 0.078 0.000 1.063 322 M CA 1.920 57.277 55.300 0.095 0.000 1.114 322 M CB -0.629 32.013 32.600 0.070 0.000 1.387 322 M HN 0.530 nan 8.290 nan 0.000 0.420 323 T N -2.607 111.980 114.554 0.054 0.000 2.857 323 T HA 0.077 4.421 4.350 -0.010 0.000 0.266 323 T C 1.932 176.690 174.700 0.096 0.000 1.048 323 T CA 0.999 63.135 62.100 0.060 0.000 1.139 323 T CB -0.919 67.967 68.868 0.030 0.000 0.874 323 T HN 0.323 nan 8.240 nan 0.000 0.455 324 A N 1.295 124.142 122.820 0.045 0.000 1.940 324 A HA 0.041 4.355 4.320 -0.010 0.000 0.219 324 A C 2.609 180.194 177.584 0.000 0.000 1.176 324 A CA 1.606 53.648 52.037 0.007 0.000 0.631 324 A CB -1.168 17.807 19.000 -0.042 0.000 0.814 324 A HN 0.406 nan 8.150 nan 0.000 0.446 325 V N -1.442 118.479 119.914 0.012 0.000 2.295 325 V HA -0.293 3.822 4.120 -0.010 0.000 0.246 325 V C 2.308 178.445 176.094 0.073 0.000 1.049 325 V CA 2.135 64.458 62.300 0.038 0.000 1.024 325 V CB -1.068 30.818 31.823 0.106 0.000 0.648 325 V HN 0.715 nan 8.190 nan 0.000 0.447 326 Y N 1.834 122.124 120.300 -0.017 0.000 2.081 326 Y HA -0.364 4.180 4.550 -0.011 0.000 0.280 326 Y C 2.566 178.445 175.900 -0.036 0.000 1.163 326 Y CA 2.564 60.646 58.100 -0.030 0.000 1.135 326 Y CB -0.461 37.983 38.460 -0.028 0.000 0.970 326 Y HN 0.394 nan 8.280 nan 0.000 0.498 327 N N 0.071 118.832 118.700 0.101 0.000 2.084 327 N HA -0.175 4.559 4.740 -0.010 0.000 0.190 327 N C 1.882 177.342 175.510 -0.084 0.000 1.030 327 N CA 1.816 54.863 53.050 -0.005 0.000 0.849 327 N CB -0.647 37.876 38.487 0.061 0.000 1.012 327 N HN 0.470 nan 8.380 nan 0.000 0.423 328 A N 0.305 123.088 122.820 -0.062 0.000 1.902 328 A HA 0.022 4.336 4.320 -0.010 0.000 0.217 328 A C 2.354 179.873 177.584 -0.109 0.000 1.181 328 A CA 1.961 53.950 52.037 -0.080 0.000 0.623 328 A CB -1.322 17.631 19.000 -0.078 0.000 0.818 328 A HN 0.471 nan 8.150 nan 0.000 0.443 329 A N 0.329 123.072 122.820 -0.129 0.000 1.902 329 A HA -0.241 4.073 4.320 -0.010 0.000 0.217 329 A C 1.963 179.437 177.584 -0.183 0.000 1.181 329 A CA 2.195 54.138 52.037 -0.158 0.000 0.623 329 A CB -0.831 18.073 19.000 -0.161 0.000 0.818 329 A HN 0.655 nan 8.150 nan 0.000 0.443 330 N N -0.028 118.525 118.700 -0.245 0.000 2.069 330 N HA -0.202 4.533 4.740 -0.010 0.000 0.191 330 N C 1.646 177.076 175.510 -0.133 0.000 1.031 330 N CA 2.111 55.022 53.050 -0.231 0.000 0.852 330 N CB -0.317 37.991 38.487 -0.298 0.000 1.018 330 N HN 0.637 nan 8.380 nan 0.000 0.423 331 E N -0.442 119.695 120.200 -0.105 0.000 2.085 331 E HA -0.187 4.157 4.350 -0.010 0.000 0.194 331 E C 1.657 178.226 176.600 -0.052 0.000 0.994 331 E CA 1.041 57.403 56.400 -0.063 0.000 0.801 331 E CB -0.072 29.595 29.700 -0.054 0.000 0.743 331 E HN 0.478 nan 8.360 nan 0.000 0.453 332 E N 0.522 120.680 120.200 -0.070 0.000 2.046 332 E HA -0.114 4.230 4.350 -0.010 0.000 0.190 332 E C 2.086 178.657 176.600 -0.048 0.000 0.982 332 E CA 0.984 57.347 56.400 -0.062 0.000 0.800 332 E CB -0.348 29.301 29.700 -0.085 0.000 0.756 332 E HN 0.227 nan 8.360 nan 0.000 0.449 333 A N 1.661 124.440 122.820 -0.068 0.000 1.902 333 A HA -0.080 4.234 4.320 -0.010 0.000 0.217 333 A C 2.424 180.011 177.584 0.004 0.000 1.181 333 A CA 2.111 54.117 52.037 -0.052 0.000 0.623 333 A CB -0.600 18.339 19.000 -0.103 0.000 0.818 333 A HN 0.259 nan 8.150 nan 0.000 0.443 334 A N -0.061 122.758 122.820 -0.002 0.000 1.902 334 A HA 0.149 4.464 4.320 -0.010 0.000 0.217 334 A C 2.521 180.181 177.584 0.127 0.000 1.181 334 A CA 2.118 54.200 52.037 0.074 0.000 0.623 334 A CB -1.080 17.943 19.000 0.037 0.000 0.818 334 A HN 1.092 nan 8.150 nan 0.000 0.443 335 A N -0.107 122.748 122.820 0.058 0.000 1.908 335 A HA 0.085 4.399 4.320 -0.010 0.000 0.218 335 A C 2.497 180.107 177.584 0.044 0.000 1.181 335 A CA 2.328 54.391 52.037 0.042 0.000 0.627 335 A CB -1.009 17.996 19.000 0.009 0.000 0.818 335 A HN 1.101 nan 8.150 nan 0.000 0.445 336 A N -1.436 121.413 122.820 0.048 0.000 1.930 336 A HA 0.034 4.349 4.320 -0.010 0.000 0.217 336 A C 2.029 179.660 177.584 0.078 0.000 1.175 336 A CA 1.499 53.561 52.037 0.042 0.000 0.627 336 A CB -0.653 18.364 19.000 0.028 0.000 0.815 336 A HN 0.712 nan 8.150 nan 0.000 0.443 337 F N 0.796 120.750 119.950 0.007 0.000 2.102 337 F HA -0.114 4.405 4.527 -0.013 0.000 0.298 337 F C 1.834 177.669 175.800 0.058 0.000 1.105 337 F CA 1.688 59.713 58.000 0.042 0.000 1.239 337 F CB -0.320 38.720 39.000 0.066 0.000 0.991 337 F HN 0.126 nan 8.300 nan 0.000 0.474 338 L N 0.076 121.266 121.223 -0.056 0.000 2.131 338 L HA -0.164 4.170 4.340 -0.010 0.000 0.210 338 L C 2.610 179.388 176.870 -0.154 0.000 1.092 338 L CA 1.077 55.832 54.840 -0.141 0.000 0.759 338 L CB -1.149 40.932 42.059 0.037 0.000 0.903 338 L HN 0.284 nan 8.230 nan 0.000 0.435 339 A N -0.478 122.285 122.820 -0.096 0.000 2.167 339 A HA 0.227 4.541 4.320 -0.010 0.000 0.214 339 A C 1.782 179.308 177.584 -0.097 0.000 1.151 339 A CA 0.855 52.847 52.037 -0.074 0.000 0.735 339 A CB -0.379 18.598 19.000 -0.037 0.000 0.802 339 A HN 0.531 nan 8.150 nan 0.000 0.467 340 G N -0.949 107.758 108.800 -0.155 0.000 2.132 340 G HA2 -0.287 3.667 3.960 -0.010 0.000 0.234 340 G HA3 -0.287 3.667 3.960 -0.010 0.000 0.234 340 G C 0.932 175.795 174.900 -0.061 0.000 0.989 340 G CA 0.830 45.846 45.100 -0.139 0.000 0.676 340 G HN 0.628 nan 8.290 nan 0.000 0.522 341 R N 0.616 121.095 120.500 -0.035 0.000 2.140 341 R HA 0.412 4.746 4.340 -0.010 0.000 0.213 341 R C 1.381 177.696 176.300 0.025 0.000 1.059 341 R CA 1.655 57.752 56.100 -0.004 0.000 1.000 341 R CB -0.146 30.151 30.300 -0.004 0.000 0.910 341 R HN 1.037 nan 8.270 nan 0.000 0.455 342 I N -2.984 117.625 120.570 0.064 0.000 2.934 342 I HA 0.705 4.869 4.170 -0.010 0.000 0.306 342 I C 0.215 176.463 176.117 0.218 0.000 1.110 342 I CA -1.548 59.815 61.300 0.106 0.000 1.019 342 I CB 2.038 40.091 38.000 0.089 0.000 1.227 342 I HN 0.002 nan 8.210 nan 0.000 0.434 343 G N 1.198 110.113 108.800 0.191 0.000 2.572 343 G HA2 0.200 4.154 3.960 -0.010 0.000 0.261 343 G HA3 0.200 4.154 3.960 -0.010 0.000 0.261 343 G C -0.023 175.047 174.900 0.284 0.000 1.197 343 G CA -0.380 44.881 45.100 0.268 0.000 0.870 343 G HN 0.762 nan 8.290 nan 0.000 0.548 344 F N 1.995 121.993 119.950 0.078 0.000 2.095 344 F HA -0.032 4.489 4.527 -0.010 0.000 0.298 344 F C 0.110 175.748 175.800 -0.270 0.000 1.104 344 F CA 1.616 59.388 58.000 -0.380 0.000 1.232 344 F CB -0.570 38.169 39.000 -0.434 0.000 0.987 344 F HN 0.308 nan 8.300 nan 0.000 0.475 345 P HA -0.125 nan 4.420 nan 0.000 0.220 345 P C 1.380 178.549 177.300 -0.218 0.000 1.148 345 P CA 1.896 64.863 63.100 -0.221 0.000 0.803 345 P CB -0.403 31.232 31.700 -0.107 0.000 0.782 346 A N -0.836 121.895 122.820 -0.148 0.000 2.121 346 A HA -0.138 4.176 4.320 -0.010 0.000 0.218 346 A C 2.083 179.573 177.584 -0.155 0.000 1.154 346 A CA 0.932 52.904 52.037 -0.108 0.000 0.679 346 A CB -1.452 17.527 19.000 -0.034 0.000 0.795 346 A HN 0.138 nan 8.150 nan 0.000 0.458 347 I N -0.757 119.656 120.570 -0.261 0.000 2.099 347 I HA -0.226 3.938 4.170 -0.010 0.000 0.239 347 I C 2.254 178.226 176.117 -0.242 0.000 1.066 347 I CA 1.433 62.569 61.300 -0.273 0.000 1.324 347 I CB -0.453 37.292 38.000 -0.424 0.000 1.037 347 I HN 0.146 nan 8.210 nan 0.000 0.401 348 V N 0.982 120.738 119.914 -0.263 0.000 2.667 348 V HA -0.109 4.005 4.120 -0.010 0.000 0.252 348 V C 2.507 178.524 176.094 -0.129 0.000 1.065 348 V CA 1.776 63.965 62.300 -0.185 0.000 1.083 348 V CB -1.075 30.657 31.823 -0.153 0.000 0.692 348 V HN 0.581 nan 8.190 nan 0.000 0.468 349 G N 0.348 109.074 108.800 -0.124 0.000 2.446 349 G HA2 -0.250 3.704 3.960 -0.010 0.000 0.217 349 G HA3 -0.250 3.704 3.960 -0.010 0.000 0.217 349 G C 1.570 176.424 174.900 -0.077 0.000 1.168 349 G CA 1.150 46.203 45.100 -0.079 0.000 0.771 349 G HN 0.482 nan 8.290 nan 0.000 0.551 350 I N 0.678 121.188 120.570 -0.100 0.000 2.226 350 I HA -0.156 4.009 4.170 -0.010 0.000 0.245 350 I C 2.684 178.725 176.117 -0.127 0.000 1.100 350 I CA 0.791 62.029 61.300 -0.103 0.000 1.374 350 I CB -0.194 37.743 38.000 -0.105 0.000 1.057 350 I HN 0.163 nan 8.210 nan 0.000 0.413 351 I N 0.691 121.164 120.570 -0.161 0.000 2.163 351 I HA -0.344 3.820 4.170 -0.010 0.000 0.243 351 I C 2.804 178.812 176.117 -0.182 0.000 1.085 351 I CA 1.508 62.691 61.300 -0.195 0.000 1.347 351 I CB -0.606 37.223 38.000 -0.285 0.000 1.044 351 I HN 0.220 nan 8.210 nan 0.000 0.408 352 A N 0.617 123.340 122.820 -0.161 0.000 1.877 352 A HA -0.249 4.066 4.320 -0.010 0.000 0.216 352 A C 1.975 179.385 177.584 -0.290 0.000 1.186 352 A CA 2.167 54.053 52.037 -0.252 0.000 0.620 352 A CB -0.653 18.358 19.000 0.018 0.000 0.822 352 A HN 0.355 nan 8.150 nan 0.000 0.443 353 D N -0.278 120.076 120.400 -0.077 0.000 2.104 353 D HA -0.116 4.518 4.640 -0.010 0.000 0.194 353 D C 2.108 178.400 176.300 -0.013 0.000 0.994 353 D CA 1.558 55.556 54.000 -0.003 0.000 0.830 353 D CB -0.522 40.273 40.800 -0.009 0.000 0.959 353 D HN 0.220 nan 8.370 nan 0.000 0.452 354 V N 1.037 120.914 119.914 -0.061 0.000 2.270 354 V HA -0.194 3.920 4.120 -0.010 0.000 0.245 354 V C 2.723 178.892 176.094 0.126 0.000 1.043 354 V CA 1.048 63.344 62.300 -0.006 0.000 1.014 354 V CB -0.498 31.277 31.823 -0.081 0.000 0.645 354 V HN 0.202 nan 8.190 nan 0.000 0.447 355 L N -0.446 120.757 121.223 -0.033 0.000 2.043 355 L HA -0.269 4.066 4.340 -0.010 0.000 0.212 355 L C 2.452 179.350 176.870 0.047 0.000 1.075 355 L CA 2.075 56.899 54.840 -0.027 0.000 0.752 355 L CB -0.598 41.336 42.059 -0.208 0.000 0.891 355 L HN 0.516 nan 8.230 nan 0.000 0.432 356 H N -1.756 117.397 119.070 0.138 0.000 2.547 356 H HA 0.076 4.627 4.556 -0.009 0.000 0.272 356 H C 1.884 177.291 175.328 0.132 0.000 0.989 356 H CA 0.393 56.504 56.048 0.106 0.000 1.214 356 H CB 0.177 29.981 29.762 0.070 0.000 1.389 356 H HN 0.358 nan 8.280 nan 0.000 0.577 357 A N 0.794 123.790 122.820 0.292 0.000 2.275 357 A HA 0.373 4.687 4.320 -0.010 0.000 0.212 357 A C 1.861 179.654 177.584 0.349 0.000 1.201 357 A CA 0.491 52.732 52.037 0.340 0.000 0.843 357 A CB -0.034 19.210 19.000 0.407 0.000 0.873 357 A HN 0.365 nan 8.150 nan 0.000 0.492 358 A N 0.243 123.230 122.820 0.278 0.000 2.476 358 A HA 0.257 4.571 4.320 -0.010 0.000 0.263 358 A C 0.815 178.360 177.584 -0.065 0.000 1.342 358 A CA 0.320 52.391 52.037 0.056 0.000 0.926 358 A CB -0.432 18.739 19.000 0.285 0.000 1.019 358 A HN 0.363 nan 8.150 nan 0.000 0.515 359 D N 1.165 121.511 120.400 -0.090 0.000 2.157 359 D HA -0.325 4.309 4.640 -0.010 0.000 0.191 359 D C 1.975 178.131 176.300 -0.240 0.000 1.004 359 D CA 2.160 56.089 54.000 -0.119 0.000 0.854 359 D CB -0.488 40.248 40.800 -0.105 0.000 0.936 359 D HN 0.910 nan 8.370 nan 0.000 0.446 360 Q N -0.578 118.929 119.800 -0.490 0.000 2.500 360 Q HA -0.103 4.232 4.340 -0.010 0.000 0.213 360 Q C 1.070 176.625 176.000 -0.741 0.000 0.974 360 Q CA 0.637 56.025 55.803 -0.692 0.000 0.918 360 Q CB -0.549 27.608 28.738 -0.968 0.000 0.980 360 Q HN 0.433 nan 8.270 nan 0.000 0.505 361 W N -0.311 120.854 121.300 -0.224 0.000 3.330 361 W HA 0.509 5.164 4.660 -0.008 0.000 0.348 361 W C 1.553 178.018 176.519 -0.090 0.000 1.205 361 W CA -0.174 57.072 57.345 -0.166 0.000 1.841 361 W CB 0.540 29.884 29.460 -0.193 0.000 1.084 361 W HN 0.225 nan 8.180 nan 0.000 0.665 362 A N -0.027 122.820 122.820 0.045 0.000 2.167 362 A HA 0.079 4.393 4.320 -0.010 0.000 0.214 362 A C 0.908 178.508 177.584 0.027 0.000 1.151 362 A CA 0.382 52.439 52.037 0.034 0.000 0.735 362 A CB -0.470 18.526 19.000 -0.005 0.000 0.802 362 A HN -0.033 nan 8.150 nan 0.000 0.467 363 V N 2.247 122.167 119.914 0.010 0.000 2.673 363 V HA 0.005 4.119 4.120 -0.010 0.000 0.303 363 V C 0.307 176.433 176.094 0.053 0.000 1.046 363 V CA -0.278 62.028 62.300 0.010 0.000 1.126 363 V CB 0.412 32.218 31.823 -0.028 0.000 0.934 363 V HN 0.432 nan 8.190 nan 0.000 0.487 364 E N 6.308 126.530 120.200 0.038 0.000 2.344 364 E HA 0.182 4.526 4.350 -0.010 0.000 0.270 364 E C -2.136 174.493 176.600 0.048 0.000 1.021 364 E CA -1.571 54.855 56.400 0.044 0.000 0.887 364 E CB 0.532 30.250 29.700 0.031 0.000 0.997 364 E HN 0.491 nan 8.360 nan 0.000 0.429 365 P HA 0.072 nan 4.420 nan 0.000 0.271 365 P C -0.298 177.021 177.300 0.032 0.000 1.220 365 P CA 0.035 63.166 63.100 0.051 0.000 0.768 365 P CB 1.188 32.914 31.700 0.043 0.000 0.848 366 A N 3.469 126.308 122.820 0.031 0.000 2.014 366 A HA 0.190 4.505 4.320 -0.010 0.000 0.210 366 A C 1.012 178.605 177.584 0.015 0.000 1.188 366 A CA 1.242 53.291 52.037 0.019 0.000 0.731 366 A CB -0.371 18.640 19.000 0.017 0.000 0.858 366 A HN 0.640 nan 8.150 nan 0.000 0.464 367 T N -4.955 109.612 114.554 0.020 0.000 2.883 367 T HA 0.447 4.792 4.350 -0.010 0.000 0.296 367 T C 0.835 175.543 174.700 0.013 0.000 1.117 367 T CA 0.080 62.188 62.100 0.014 0.000 1.006 367 T CB 1.274 70.151 68.868 0.016 0.000 1.191 367 T HN 0.132 nan 8.240 nan 0.000 0.508 368 V N 0.859 120.776 119.914 0.004 0.000 2.380 368 V HA -0.181 3.933 4.120 -0.010 0.000 0.251 368 V C 2.342 178.438 176.094 0.004 0.000 1.063 368 V CA 2.094 64.393 62.300 -0.001 0.000 1.055 368 V CB -0.854 30.964 31.823 -0.008 0.000 0.657 368 V HN 0.887 nan 8.190 nan 0.000 0.455 369 D N 0.077 120.485 120.400 0.014 0.000 2.178 369 D HA -0.153 4.482 4.640 -0.010 0.000 0.201 369 D C 1.894 178.218 176.300 0.039 0.000 0.980 369 D CA 1.391 55.405 54.000 0.023 0.000 0.842 369 D CB -0.213 40.604 40.800 0.028 0.000 0.948 369 D HN 0.465 nan 8.370 nan 0.000 0.472 370 D N 0.311 120.744 120.400 0.054 0.000 2.123 370 D HA -0.111 4.523 4.640 -0.010 0.000 0.196 370 D C 2.333 178.664 176.300 0.053 0.000 0.992 370 D CA 0.474 54.532 54.000 0.097 0.000 0.833 370 D CB -0.285 40.574 40.800 0.099 0.000 0.954 370 D HN 0.093 nan 8.370 nan 0.000 0.455 371 V N 1.158 121.077 119.914 0.008 0.000 2.295 371 V HA -0.201 3.913 4.120 -0.010 0.000 0.246 371 V C 2.667 178.708 176.094 -0.089 0.000 1.049 371 V CA 1.083 63.359 62.300 -0.041 0.000 1.024 371 V CB -0.488 31.320 31.823 -0.026 0.000 0.648 371 V HN 0.195 nan 8.190 nan 0.000 0.447 372 L N -0.230 120.961 121.223 -0.054 0.000 2.083 372 L HA -0.192 4.142 4.340 -0.010 0.000 0.209 372 L C 2.388 179.209 176.870 -0.081 0.000 1.083 372 L CA 1.536 56.342 54.840 -0.057 0.000 0.752 372 L CB -0.806 41.239 42.059 -0.024 0.000 0.899 372 L HN 0.339 nan 8.230 nan 0.000 0.433 373 D N 0.321 120.684 120.400 -0.062 0.000 2.117 373 D HA -0.161 4.474 4.640 -0.010 0.000 0.197 373 D C 2.247 178.304 176.300 -0.404 0.000 0.987 373 D CA 1.567 55.537 54.000 -0.051 0.000 0.829 373 D CB -0.054 40.843 40.800 0.163 0.000 0.961 373 D HN 0.307 nan 8.370 nan 0.000 0.460 374 A N 0.788 123.137 122.820 -0.786 0.000 1.877 374 A HA -0.238 4.076 4.320 -0.010 0.000 0.216 374 A C 2.132 179.323 177.584 -0.656 0.000 1.186 374 A CA 1.562 52.731 52.037 -1.447 0.000 0.620 374 A CB -0.655 17.766 19.000 -0.965 0.000 0.822 374 A HN 0.237 nan 8.150 nan 0.000 0.443 375 Q N -1.071 118.530 119.800 -0.332 0.000 2.084 375 Q HA -0.177 4.157 4.340 -0.010 0.000 0.202 375 Q C 2.384 178.312 176.000 -0.119 0.000 0.978 375 Q CA 1.527 57.227 55.803 -0.173 0.000 0.844 375 Q CB -0.207 28.461 28.738 -0.117 0.000 0.898 375 Q HN 0.675 nan 8.270 nan 0.000 0.426 376 R N 0.005 120.447 120.500 -0.097 0.000 2.083 376 R HA -0.208 4.126 4.340 -0.010 0.000 0.237 376 R C 1.957 178.255 176.300 -0.003 0.000 1.137 376 R CA 1.759 57.837 56.100 -0.036 0.000 0.951 376 R CB -0.351 29.951 30.300 0.002 0.000 0.851 376 R HN 0.390 nan 8.270 nan 0.000 0.434 377 W N 0.765 121.974 121.300 -0.152 0.000 2.335 377 W HA -0.197 4.458 4.660 -0.010 0.000 0.311 377 W C 2.042 178.513 176.519 -0.081 0.000 1.213 377 W CA 2.203 59.514 57.345 -0.057 0.000 1.274 377 W CB -0.411 29.080 29.460 0.052 0.000 1.148 377 W HN 0.214 nan 8.180 nan 0.000 0.498 378 A N 0.772 123.586 122.820 -0.010 0.000 1.902 378 A HA -0.186 4.128 4.320 -0.010 0.000 0.217 378 A C 2.030 179.453 177.584 -0.269 0.000 1.181 378 A CA 1.843 53.778 52.037 -0.170 0.000 0.623 378 A CB -0.775 18.219 19.000 -0.010 0.000 0.818 378 A HN 0.422 nan 8.150 nan 0.000 0.443 379 R N -0.714 119.674 120.500 -0.187 0.000 2.073 379 R HA -0.140 4.194 4.340 -0.010 0.000 0.234 379 R C 2.291 178.475 176.300 -0.194 0.000 1.134 379 R CA 1.475 57.478 56.100 -0.160 0.000 0.952 379 R CB -0.370 29.866 30.300 -0.107 0.000 0.850 379 R HN 0.743 nan 8.270 nan 0.000 0.433 380 E N 0.615 120.678 120.200 -0.228 0.000 2.038 380 E HA -0.246 4.099 4.350 -0.010 0.000 0.195 380 E C 2.108 178.513 176.600 -0.325 0.000 1.000 380 E CA 1.153 57.410 56.400 -0.239 0.000 0.803 380 E CB 0.070 29.642 29.700 -0.214 0.000 0.750 380 E HN -0.015 nan 8.360 nan 0.000 0.448 381 R N 0.546 120.710 120.500 -0.560 0.000 2.105 381 R HA -0.113 4.221 4.340 -0.010 0.000 0.239 381 R C 1.944 178.043 176.300 -0.334 0.000 1.135 381 R CA 1.674 57.428 56.100 -0.576 0.000 0.967 381 R CB -0.720 28.931 30.300 -1.082 0.000 0.861 381 R HN 0.222 nan 8.270 nan 0.000 0.442 382 A N 0.092 122.738 122.820 -0.290 0.000 1.902 382 A HA -0.166 4.148 4.320 -0.010 0.000 0.217 382 A C 1.922 179.422 177.584 -0.141 0.000 1.181 382 A CA 1.408 53.333 52.037 -0.187 0.000 0.623 382 A CB -0.434 18.467 19.000 -0.164 0.000 0.818 382 A HN 0.350 nan 8.150 nan 0.000 0.443 383 Q N -0.348 119.368 119.800 -0.140 0.000 2.119 383 Q HA -0.103 4.231 4.340 -0.010 0.000 0.201 383 Q C 2.129 178.074 176.000 -0.092 0.000 0.972 383 Q CA 1.335 57.078 55.803 -0.100 0.000 0.847 383 Q CB -0.457 28.227 28.738 -0.090 0.000 0.903 383 Q HN 0.695 nan 8.270 nan 0.000 0.433 384 R N 0.311 120.742 120.500 -0.115 0.000 2.083 384 R HA -0.096 4.238 4.340 -0.010 0.000 0.237 384 R C 2.237 178.493 176.300 -0.073 0.000 1.137 384 R CA 1.337 57.382 56.100 -0.092 0.000 0.951 384 R CB -0.322 29.913 30.300 -0.108 0.000 0.851 384 R HN 0.274 nan 8.270 nan 0.000 0.434 385 A N 0.253 123.021 122.820 -0.087 0.000 1.902 385 A HA -0.129 4.185 4.320 -0.010 0.000 0.217 385 A C 2.289 179.843 177.584 -0.050 0.000 1.181 385 A CA 1.510 53.508 52.037 -0.065 0.000 0.623 385 A CB -0.529 18.425 19.000 -0.077 0.000 0.818 385 A HN 0.157 nan 8.150 nan 0.000 0.443 386 V N -0.185 119.697 119.914 -0.054 0.000 2.295 386 V HA -0.228 3.887 4.120 -0.010 0.000 0.246 386 V C 2.737 178.815 176.094 -0.028 0.000 1.049 386 V CA 2.325 64.603 62.300 -0.036 0.000 1.024 386 V CB -0.918 30.884 31.823 -0.036 0.000 0.648 386 V HN 0.550 nan 8.190 nan 0.000 0.447 387 S N 0.635 116.315 115.700 -0.034 0.000 2.419 387 S HA -0.140 4.324 4.470 -0.010 0.000 0.235 387 S C 1.866 176.453 174.600 -0.020 0.000 1.019 387 S CA 1.287 59.472 58.200 -0.026 0.000 0.982 387 S CB -0.515 62.667 63.200 -0.030 0.000 0.789 387 S HN 0.726 nan 8.310 nan 0.000 0.490 388 G N 0.085 108.872 108.800 -0.022 0.000 2.920 388 G HA2 0.237 4.191 3.960 -0.010 0.000 0.208 388 G HA3 0.237 4.191 3.960 -0.010 0.000 0.208 388 G C 0.335 175.229 174.900 -0.010 0.000 1.159 388 G CA 0.030 45.121 45.100 -0.015 0.000 0.784 388 G HN 0.331 nan 8.290 nan 0.000 0.535 389 M N 0.000 119.594 119.600 -0.010 0.000 2.572 389 M HA 0.000 4.474 4.480 -0.010 0.000 0.227 389 M CA 0.000 55.298 55.300 -0.004 0.000 0.988 389 M CB 0.000 32.599 32.600 -0.003 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411