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 2jcv_1_B 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 3.960 3.960 -0.000 0.000 0.244 11 G C 0.000 174.854 174.900 -0.077 0.000 0.946 11 G CA 0.000 45.069 45.100 -0.052 0.000 0.502 12 R N -0.183 120.285 120.500 -0.054 0.000 2.312 12 R HA 0.635 4.975 4.340 -0.000 0.000 0.311 12 R C -0.373 175.922 176.300 -0.008 0.000 1.004 12 R CA -0.545 55.519 56.100 -0.059 0.000 0.902 12 R CB 0.697 30.979 30.300 -0.029 0.000 1.073 12 R HN 0.381 nan 8.270 nan 0.000 0.457 13 L N 5.011 126.245 121.223 0.019 0.000 2.292 13 L HA 0.419 4.759 4.340 -0.000 0.000 0.284 13 L C 0.278 177.242 176.870 0.158 0.000 1.065 13 L CA -0.480 54.434 54.840 0.124 0.000 0.806 13 L CB 1.295 43.499 42.059 0.241 0.000 1.175 13 L HN 0.512 nan 8.230 nan 0.000 0.431 14 R N 2.732 123.296 120.500 0.106 0.000 2.248 14 R HA 0.396 4.736 4.340 -0.000 0.000 0.328 14 R C -1.009 175.341 176.300 0.084 0.000 1.067 14 R CA -0.363 55.789 56.100 0.087 0.000 0.924 14 R CB 0.938 31.272 30.300 0.056 0.000 1.013 14 R HN 0.318 nan 8.270 nan 0.000 0.454 15 V N 4.458 124.419 119.914 0.078 0.000 2.409 15 V HA 0.240 4.360 4.120 -0.000 0.000 0.291 15 V C -0.037 176.066 176.094 0.016 0.000 1.020 15 V CA -0.928 61.397 62.300 0.041 0.000 0.848 15 V CB 1.873 33.704 31.823 0.014 0.000 0.990 15 V HN 0.438 nan 8.190 nan 0.000 0.430 16 V N 5.765 125.679 119.914 0.000 0.000 2.406 16 V HA 0.294 4.414 4.120 -0.000 0.000 0.272 16 V C 0.095 176.174 176.094 -0.025 0.000 1.043 16 V CA -0.403 61.889 62.300 -0.012 0.000 0.915 16 V CB 1.655 33.464 31.823 -0.024 0.000 0.988 16 V HN 0.640 nan 8.190 nan 0.000 0.466 17 V N 7.342 127.242 119.914 -0.023 0.000 2.318 17 V HA 0.362 4.482 4.120 -0.000 0.000 0.271 17 V C 0.018 176.097 176.094 -0.024 0.000 1.030 17 V CA -0.351 61.931 62.300 -0.030 0.000 0.844 17 V CB 0.907 32.712 31.823 -0.029 0.000 1.015 17 V HN 0.614 nan 8.190 nan 0.000 0.460 18 L N 4.316 125.520 121.223 -0.031 0.000 2.276 18 L HA 0.703 5.043 4.340 -0.000 0.000 0.286 18 L C 1.109 177.965 176.870 -0.023 0.000 1.061 18 L CA -0.155 54.669 54.840 -0.026 0.000 0.807 18 L CB 1.113 43.152 42.059 -0.033 0.000 1.177 18 L HN 0.860 nan 8.230 nan 0.000 0.429 19 G N 1.637 110.429 108.800 -0.012 0.000 2.303 19 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.260 19 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.260 19 G C 0.782 175.673 174.900 -0.015 0.000 1.106 19 G CA 0.328 45.422 45.100 -0.011 0.000 0.900 19 G HN 0.811 nan 8.290 nan 0.000 0.495 20 S N -1.189 114.509 115.700 -0.004 0.000 2.447 20 S HA -0.054 4.416 4.470 -0.000 0.000 0.233 20 S C 2.143 176.738 174.600 -0.009 0.000 1.006 20 S CA 2.001 60.197 58.200 -0.006 0.000 0.957 20 S CB -0.256 62.948 63.200 0.007 0.000 0.773 20 S HN 1.550 nan 8.310 nan 0.000 0.507 21 T N -1.948 112.602 114.554 -0.006 0.000 3.086 21 T HA 0.463 4.813 4.350 -0.000 0.000 0.250 21 T C 0.945 175.583 174.700 -0.104 0.000 1.074 21 T CA 0.065 62.149 62.100 -0.027 0.000 0.988 21 T CB 0.015 68.900 68.868 0.027 0.000 0.988 21 T HN 0.415 nan 8.240 nan 0.000 0.530 22 G N 0.604 109.352 108.800 -0.087 0.000 2.525 22 G HA2 0.401 4.361 3.960 -0.000 0.000 0.287 22 G HA3 0.401 4.361 3.960 -0.000 0.000 0.287 22 G C 0.957 175.773 174.900 -0.140 0.000 1.350 22 G CA 0.003 45.027 45.100 -0.127 0.000 1.039 22 G HN 0.164 nan 8.290 nan 0.000 0.513 23 S N -1.253 114.346 115.700 -0.167 0.000 2.338 23 S HA -0.127 4.343 4.470 -0.000 0.000 0.218 23 S C 2.395 176.932 174.600 -0.105 0.000 1.032 23 S CA 1.049 59.146 58.200 -0.171 0.000 0.999 23 S CB -0.369 62.712 63.200 -0.198 0.000 0.905 23 S HN 0.361 nan 8.310 nan 0.000 0.439 24 I N 1.852 122.368 120.570 -0.090 0.000 2.179 24 I HA -0.094 4.076 4.170 -0.000 0.000 0.242 24 I C 2.768 178.847 176.117 -0.063 0.000 1.088 24 I CA 1.606 62.863 61.300 -0.071 0.000 1.357 24 I CB -2.137 35.825 38.000 -0.064 0.000 1.051 24 I HN 0.481 nan 8.210 nan 0.000 0.409 25 G N 0.973 109.737 108.800 -0.061 0.000 2.440 25 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 25 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 25 G C 1.707 176.583 174.900 -0.041 0.000 1.154 25 G CA 1.689 46.759 45.100 -0.050 0.000 0.767 25 G HN 0.498 nan 8.290 nan 0.000 0.552 26 T N -1.622 112.909 114.554 -0.038 0.000 2.904 26 T HA -0.014 4.336 4.350 -0.000 0.000 0.267 26 T C 2.230 176.923 174.700 -0.010 0.000 1.059 26 T CA 1.363 63.454 62.100 -0.014 0.000 1.137 26 T CB -0.231 68.640 68.868 0.005 0.000 0.879 26 T HN 0.376 nan 8.240 nan 0.000 0.467 27 Q N 0.911 120.697 119.800 -0.023 0.000 2.119 27 Q HA 0.113 4.453 4.340 -0.000 0.000 0.201 27 Q C 2.797 178.775 176.000 -0.036 0.000 0.972 27 Q CA 1.321 57.111 55.803 -0.022 0.000 0.847 27 Q CB -0.416 28.304 28.738 -0.031 0.000 0.903 27 Q HN 0.721 nan 8.270 nan 0.000 0.433 28 A N 0.910 123.696 122.820 -0.057 0.000 1.902 28 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 28 A C 2.051 179.585 177.584 -0.083 0.000 1.181 28 A CA 1.074 53.056 52.037 -0.091 0.000 0.623 28 A CB -0.705 18.232 19.000 -0.106 0.000 0.818 28 A HN 0.295 nan 8.150 nan 0.000 0.443 29 L N -0.744 120.450 121.223 -0.048 0.000 2.079 29 L HA -0.276 4.064 4.340 -0.000 0.000 0.210 29 L C 2.908 179.776 176.870 -0.003 0.000 1.081 29 L CA 1.579 56.406 54.840 -0.023 0.000 0.752 29 L CB -0.539 41.517 42.059 -0.006 0.000 0.896 29 L HN 0.513 nan 8.230 nan 0.000 0.433 30 Q N -0.778 119.022 119.800 0.000 0.000 2.079 30 Q HA -0.174 4.166 4.340 -0.000 0.000 0.200 30 Q C 2.371 178.385 176.000 0.023 0.000 0.974 30 Q CA 1.494 57.306 55.803 0.016 0.000 0.840 30 Q CB -0.202 28.547 28.738 0.018 0.000 0.898 30 Q HN 0.356 nan 8.270 nan 0.000 0.430 31 V N 1.272 121.189 119.914 0.004 0.000 2.287 31 V HA -0.293 3.827 4.120 -0.000 0.000 0.248 31 V C 2.167 178.307 176.094 0.077 0.000 1.053 31 V CA 1.768 64.082 62.300 0.022 0.000 1.027 31 V CB -0.519 31.280 31.823 -0.040 0.000 0.646 31 V HN 0.347 nan 8.190 nan 0.000 0.447 32 I N 0.347 120.929 120.570 0.020 0.000 2.226 32 I HA -0.229 3.940 4.170 -0.000 0.000 0.245 32 I C 2.665 178.866 176.117 0.140 0.000 1.100 32 I CA 1.479 62.848 61.300 0.116 0.000 1.374 32 I CB -0.615 37.399 38.000 0.022 0.000 1.057 32 I HN 0.287 nan 8.210 nan 0.000 0.413 33 A N 0.386 123.253 122.820 0.079 0.000 1.933 33 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 33 A C 1.861 179.487 177.584 0.071 0.000 1.175 33 A CA 2.095 54.172 52.037 0.067 0.000 0.628 33 A CB -0.558 18.469 19.000 0.045 0.000 0.814 33 A HN 0.344 nan 8.150 nan 0.000 0.444 34 D N 0.040 120.486 120.400 0.077 0.000 2.312 34 D HA -0.019 4.621 4.640 -0.000 0.000 0.211 34 D C 0.095 176.447 176.300 0.087 0.000 0.964 34 D CA 0.655 54.698 54.000 0.073 0.000 0.877 34 D CB -0.089 40.752 40.800 0.068 0.000 0.924 34 D HN 0.411 nan 8.370 nan 0.000 0.515 35 N N 0.596 119.376 118.700 0.135 0.000 2.679 35 N HA 0.097 4.837 4.740 -0.000 0.000 0.302 35 N C -2.102 173.462 175.510 0.091 0.000 1.941 35 N CA -0.842 52.280 53.050 0.120 0.000 0.875 35 N CB 1.914 40.515 38.487 0.189 0.000 1.278 35 N HN 0.082 nan 8.380 nan 0.000 0.490 36 P HA -0.129 nan 4.420 nan 0.000 0.225 36 P C 0.808 178.105 177.300 -0.005 0.000 1.148 36 P CA 1.165 64.293 63.100 0.047 0.000 0.779 36 P CB 0.298 32.021 31.700 0.038 0.000 0.780 37 D N -0.486 119.890 120.400 -0.040 0.000 2.219 37 D HA -0.144 4.496 4.640 -0.000 0.000 0.205 37 D C 1.784 177.985 176.300 -0.165 0.000 0.970 37 D CA 0.876 54.829 54.000 -0.079 0.000 0.851 37 D CB -0.357 40.401 40.800 -0.070 0.000 0.943 37 D HN 0.113 nan 8.370 nan 0.000 0.488 38 R N -0.600 119.720 120.500 -0.300 0.000 2.195 38 R HA 0.260 4.600 4.340 -0.000 0.000 0.197 38 R C 0.154 175.992 176.300 -0.770 0.000 0.990 38 R CA 0.200 55.899 56.100 -0.668 0.000 1.048 38 R CB 0.275 29.915 30.300 -1.101 0.000 0.997 38 R HN 0.229 nan 8.270 nan 0.000 0.502 39 F N 0.845 120.805 119.950 0.017 0.000 2.565 39 F HA 0.308 4.834 4.527 -0.000 0.000 0.313 39 F C -0.260 175.550 175.800 0.017 0.000 1.091 39 F CA -1.245 56.766 58.000 0.018 0.000 0.915 39 F CB 2.000 41.012 39.000 0.021 0.000 1.208 39 F HN -0.131 nan 8.300 nan 0.000 0.453 40 E N 0.856 121.181 120.200 0.209 0.000 2.248 40 E HA 0.648 4.998 4.350 -0.000 0.000 0.267 40 E C -1.660 175.004 176.600 0.106 0.000 0.877 40 E CA -1.104 55.374 56.400 0.130 0.000 0.759 40 E CB 2.206 31.955 29.700 0.081 0.000 1.182 40 E HN 0.328 nan 8.360 nan 0.000 0.418 41 V N 3.182 123.143 119.914 0.078 0.000 2.572 41 V HA 0.078 4.198 4.120 -0.000 0.000 0.291 41 V C 0.945 177.068 176.094 0.047 0.000 1.039 41 V CA 0.004 62.334 62.300 0.050 0.000 1.055 41 V CB 0.851 32.697 31.823 0.037 0.000 0.969 41 V HN 0.778 nan 8.190 nan 0.000 0.482 42 V N 0.939 120.877 119.914 0.040 0.000 3.398 42 V HA 0.760 4.880 4.120 -0.000 0.000 0.298 42 V C 0.525 176.640 176.094 0.036 0.000 1.496 42 V CA 0.490 62.814 62.300 0.039 0.000 1.044 42 V CB 0.283 32.129 31.823 0.038 0.000 0.880 42 V HN 1.036 nan 8.190 nan 0.000 0.443 43 G N 0.532 109.349 108.800 0.028 0.000 2.733 43 G HA2 0.639 4.599 3.960 -0.000 0.000 0.297 43 G HA3 0.639 4.599 3.960 -0.000 0.000 0.297 43 G C -1.857 173.054 174.900 0.018 0.000 1.452 43 G CA -0.652 44.463 45.100 0.024 0.000 0.940 43 G HN 0.226 nan 8.290 nan 0.000 0.547 44 L N 0.933 122.173 121.223 0.029 0.000 2.408 44 L HA 0.862 5.202 4.340 -0.000 0.000 0.268 44 L C 0.177 177.065 176.870 0.030 0.000 0.986 44 L CA -0.940 53.914 54.840 0.025 0.000 0.820 44 L CB 2.371 44.450 42.059 0.034 0.000 1.303 44 L HN 0.828 nan 8.230 nan 0.000 0.411 45 A N 2.246 125.076 122.820 0.017 0.000 2.414 45 A HA 1.007 5.327 4.320 -0.000 0.000 0.306 45 A C -0.954 176.647 177.584 0.028 0.000 1.054 45 A CA -0.209 51.842 52.037 0.024 0.000 0.724 45 A CB 1.949 20.949 19.000 -0.000 0.000 1.267 45 A HN 0.829 nan 8.150 nan 0.000 0.418 46 A N 0.394 123.240 122.820 0.044 0.000 2.583 46 A HA 0.770 5.090 4.320 -0.000 0.000 0.289 46 A C 0.843 178.459 177.584 0.054 0.000 1.151 46 A CA 0.031 52.098 52.037 0.049 0.000 0.695 46 A CB 0.514 19.553 19.000 0.065 0.000 1.290 46 A HN 1.770 nan 8.150 nan 0.000 0.419 47 G N -1.122 107.713 108.800 0.058 0.000 2.396 47 G HA2 0.391 4.351 3.960 -0.000 0.000 0.214 47 G HA3 0.391 4.351 3.960 -0.000 0.000 0.214 47 G C 1.170 176.100 174.900 0.049 0.000 1.166 47 G CA 1.457 46.586 45.100 0.049 0.000 0.793 47 G HN 2.380 nan 8.290 nan 0.000 0.533 48 G N -0.963 107.870 108.800 0.055 0.000 2.421 48 G HA2 0.081 4.041 3.960 -0.000 0.000 0.188 48 G HA3 0.081 4.041 3.960 -0.000 0.000 0.188 48 G C 1.402 176.305 174.900 0.005 0.000 1.001 48 G CA 0.937 46.062 45.100 0.041 0.000 0.693 48 G HN 1.078 nan 8.290 nan 0.000 0.479 49 A N 0.089 122.890 122.820 -0.031 0.000 1.972 49 A HA 0.209 4.529 4.320 -0.000 0.000 0.219 49 A C 1.295 178.675 177.584 -0.339 0.000 1.169 49 A CA 1.947 53.882 52.037 -0.171 0.000 0.635 49 A CB -0.396 18.480 19.000 -0.206 0.000 0.810 49 A HN 0.693 nan 8.150 nan 0.000 0.446 50 H N -1.201 117.890 119.070 0.035 0.000 2.507 50 H HA 0.336 4.891 4.556 -0.000 0.000 0.271 50 H C 0.940 176.292 175.328 0.039 0.000 1.224 50 H CA -0.407 55.666 56.048 0.041 0.000 1.000 50 H CB 0.430 30.220 29.762 0.047 0.000 1.663 50 H HN 0.297 nan 8.280 nan 0.000 0.548 51 L N 0.355 121.626 121.223 0.081 0.000 2.043 51 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 51 L C 1.238 178.149 176.870 0.068 0.000 1.075 51 L CA 1.950 56.829 54.840 0.065 0.000 0.752 51 L CB -0.042 42.040 42.059 0.037 0.000 0.891 51 L HN 0.341 nan 8.230 nan 0.000 0.432 52 D N -1.158 119.283 120.400 0.069 0.000 2.117 52 D HA -0.156 4.484 4.640 -0.000 0.000 0.197 52 D C 2.117 178.459 176.300 0.071 0.000 0.987 52 D CA 1.802 55.839 54.000 0.062 0.000 0.829 52 D CB -0.420 40.414 40.800 0.057 0.000 0.961 52 D HN 0.384 nan 8.370 nan 0.000 0.460 53 T N 1.241 115.856 114.554 0.101 0.000 2.684 53 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 53 T C 1.930 176.672 174.700 0.070 0.000 1.036 53 T CA 0.682 62.836 62.100 0.089 0.000 1.148 53 T CB -0.424 68.507 68.868 0.106 0.000 0.863 53 T HN 0.044 nan 8.240 nan 0.000 0.436 54 L N 1.004 122.273 121.223 0.077 0.000 2.042 54 L HA -0.032 4.308 4.340 -0.000 0.000 0.210 54 L C 2.176 179.077 176.870 0.052 0.000 1.076 54 L CA 1.628 56.506 54.840 0.062 0.000 0.749 54 L CB -0.712 41.388 42.059 0.067 0.000 0.893 54 L HN 0.265 nan 8.230 nan 0.000 0.432 55 L N -1.053 120.199 121.223 0.049 0.000 2.083 55 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 55 L C 2.768 179.658 176.870 0.035 0.000 1.083 55 L CA 1.299 56.162 54.840 0.039 0.000 0.752 55 L CB -0.533 41.546 42.059 0.033 0.000 0.899 55 L HN 0.257 nan 8.230 nan 0.000 0.433 56 R N -0.230 120.292 120.500 0.037 0.000 2.081 56 R HA -0.179 4.160 4.340 -0.000 0.000 0.235 56 R C 2.321 178.640 176.300 0.032 0.000 1.131 56 R CA 1.351 57.470 56.100 0.032 0.000 0.960 56 R CB -0.312 30.009 30.300 0.034 0.000 0.856 56 R HN 0.483 nan 8.270 nan 0.000 0.436 57 Q N 0.061 119.883 119.800 0.036 0.000 2.096 57 Q HA -0.202 4.138 4.340 -0.000 0.000 0.204 57 Q C 2.201 178.221 176.000 0.034 0.000 0.982 57 Q CA 1.538 57.362 55.803 0.034 0.000 0.850 57 Q CB -0.186 28.573 28.738 0.035 0.000 0.901 57 Q HN 0.271 nan 8.270 nan 0.000 0.422 58 R N 0.540 121.062 120.500 0.036 0.000 2.073 58 R HA -0.164 4.176 4.340 -0.000 0.000 0.234 58 R C 2.167 178.485 176.300 0.030 0.000 1.134 58 R CA 1.418 57.539 56.100 0.035 0.000 0.952 58 R CB -0.311 30.012 30.300 0.037 0.000 0.850 58 R HN 0.241 nan 8.270 nan 0.000 0.433 59 A N 0.492 123.329 122.820 0.027 0.000 1.933 59 A HA -0.193 4.127 4.320 -0.000 0.000 0.218 59 A C 2.064 179.662 177.584 0.022 0.000 1.175 59 A CA 1.494 53.545 52.037 0.023 0.000 0.628 59 A CB -0.395 18.617 19.000 0.021 0.000 0.814 59 A HN 0.536 nan 8.150 nan 0.000 0.444 60 Q N -0.934 118.881 119.800 0.024 0.000 2.049 60 Q HA -0.095 4.245 4.340 -0.000 0.000 0.198 60 Q C 2.312 178.327 176.000 0.025 0.000 0.971 60 Q CA 1.952 57.769 55.803 0.023 0.000 0.833 60 Q CB -0.254 28.498 28.738 0.024 0.000 0.896 60 Q HN 0.851 nan 8.270 nan 0.000 0.434 61 T N -3.787 110.783 114.554 0.028 0.000 3.054 61 T HA 0.181 4.531 4.350 -0.000 0.000 0.259 61 T C 1.510 176.228 174.700 0.030 0.000 1.092 61 T CA 0.622 62.741 62.100 0.030 0.000 1.121 61 T CB 0.272 69.159 68.868 0.033 0.000 0.912 61 T HN 0.459 nan 8.240 nan 0.000 0.489 62 G N 0.852 109.670 108.800 0.029 0.000 2.184 62 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.264 62 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.264 62 G C 0.120 175.039 174.900 0.032 0.000 0.975 62 G CA 0.042 45.159 45.100 0.028 0.000 0.642 62 G HN 0.722 nan 8.290 nan 0.000 0.536 63 V N 2.211 122.147 119.914 0.036 0.000 2.415 63 V HA 0.373 4.493 4.120 -0.000 0.000 0.267 63 V C 1.779 177.901 176.094 0.046 0.000 1.042 63 V CA 1.145 63.470 62.300 0.042 0.000 1.000 63 V CB 0.844 32.693 31.823 0.043 0.000 1.015 63 V HN 0.656 nan 8.190 nan 0.000 0.478 64 T N 0.773 115.356 114.554 0.049 0.000 3.044 64 T HA 0.028 4.378 4.350 -0.000 0.000 0.250 64 T C 0.938 175.682 174.700 0.073 0.000 1.081 64 T CA -0.003 62.127 62.100 0.051 0.000 1.040 64 T CB -0.260 68.632 68.868 0.039 0.000 0.962 64 T HN 0.439 nan 8.240 nan 0.000 0.506 65 N N 2.620 121.372 118.700 0.088 0.000 2.671 65 N HA 0.286 5.026 4.740 -0.000 0.000 0.274 65 N C -0.413 175.184 175.510 0.144 0.000 1.188 65 N CA -0.688 52.445 53.050 0.138 0.000 1.065 65 N CB -0.663 37.898 38.487 0.123 0.000 1.415 65 N HN 0.737 nan 8.380 nan 0.000 0.511 66 I N -1.168 119.505 120.570 0.171 0.000 2.785 66 I HA 0.914 5.083 4.170 -0.000 0.000 0.302 66 I C -0.855 175.392 176.117 0.216 0.000 1.069 66 I CA -1.391 59.998 61.300 0.149 0.000 1.045 66 I CB 2.303 40.363 38.000 0.099 0.000 1.236 66 I HN 0.194 nan 8.210 nan 0.000 0.429 67 A N 4.304 127.220 122.820 0.159 0.000 2.386 67 A HA 0.844 5.164 4.320 -0.000 0.000 0.311 67 A C -1.162 176.497 177.584 0.124 0.000 1.068 67 A CA -0.639 51.503 52.037 0.175 0.000 0.743 67 A CB 1.891 20.960 19.000 0.116 0.000 1.258 67 A HN 0.594 nan 8.150 nan 0.000 0.429 68 V N 1.951 121.951 119.914 0.144 0.000 2.483 68 V HA 0.513 4.633 4.120 -0.000 0.000 0.297 68 V C 1.087 177.250 176.094 0.116 0.000 1.027 68 V CA 0.148 62.516 62.300 0.114 0.000 0.855 68 V CB 1.208 33.095 31.823 0.107 0.000 0.995 68 V HN 1.261 nan 8.190 nan 0.000 0.424 69 A N 2.726 125.593 122.820 0.079 0.000 1.898 69 A HA -0.058 4.262 4.320 -0.000 0.000 0.216 69 A C 1.126 178.749 177.584 0.065 0.000 1.181 69 A CA 1.099 53.174 52.037 0.063 0.000 0.620 69 A CB -0.144 18.879 19.000 0.038 0.000 0.819 69 A HN 0.812 nan 8.150 nan 0.000 0.442 70 D N -0.151 120.284 120.400 0.060 0.000 2.325 70 D HA 0.082 4.722 4.640 -0.000 0.000 0.251 70 D C 0.402 176.750 176.300 0.080 0.000 1.196 70 D CA -0.130 53.899 54.000 0.049 0.000 0.866 70 D CB 0.714 41.536 40.800 0.037 0.000 1.101 70 D HN 0.199 nan 8.370 nan 0.000 0.476 71 E N 2.828 123.078 120.200 0.083 0.000 2.051 71 E HA -0.192 4.158 4.350 -0.000 0.000 0.192 71 E C 1.516 178.205 176.600 0.148 0.000 0.991 71 E CA 1.063 57.534 56.400 0.117 0.000 0.799 71 E CB -0.142 29.630 29.700 0.119 0.000 0.748 71 E HN 0.615 nan 8.360 nan 0.000 0.449 72 H N 0.670 119.744 119.070 0.006 0.000 2.289 72 H HA -0.136 4.419 4.556 -0.000 0.000 0.294 72 H C 1.959 177.278 175.328 -0.014 0.000 1.095 72 H CA 1.750 57.794 56.048 -0.007 0.000 1.256 72 H CB -0.649 29.110 29.762 -0.005 0.000 1.359 72 H HN 0.223 nan 8.280 nan 0.000 0.487 73 A N 0.614 123.513 122.820 0.132 0.000 1.883 73 A HA -0.143 4.176 4.320 -0.000 0.000 0.217 73 A C 2.651 180.250 177.584 0.026 0.000 1.186 73 A CA 2.223 54.296 52.037 0.060 0.000 0.624 73 A CB -1.183 17.849 19.000 0.054 0.000 0.822 73 A HN 0.495 nan 8.150 nan 0.000 0.444 74 A N -1.124 121.710 122.820 0.023 0.000 2.019 74 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 74 A C 1.999 179.522 177.584 -0.102 0.000 1.164 74 A CA 1.627 53.638 52.037 -0.043 0.000 0.644 74 A CB -0.459 18.504 19.000 -0.062 0.000 0.805 74 A HN 0.535 nan 8.150 nan 0.000 0.449 75 Q N -0.024 119.736 119.800 -0.065 0.000 2.234 75 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 75 Q C 1.863 177.821 176.000 -0.070 0.000 0.980 75 Q CA 1.379 57.135 55.803 -0.078 0.000 0.869 75 Q CB -0.391 28.306 28.738 -0.069 0.000 0.912 75 Q HN 0.739 nan 8.270 nan 0.000 0.436 76 R N -0.137 120.332 120.500 -0.052 0.000 2.276 76 R HA 0.012 4.351 4.340 -0.000 0.000 0.203 76 R C 1.849 178.127 176.300 -0.036 0.000 1.017 76 R CA 0.645 56.721 56.100 -0.041 0.000 1.010 76 R CB 0.281 30.565 30.300 -0.026 0.000 0.900 76 R HN 0.080 nan 8.270 nan 0.000 0.469 77 V N -2.113 117.774 119.914 -0.045 0.000 2.911 77 V HA 0.281 4.401 4.120 -0.000 0.000 0.237 77 V C 1.552 177.619 176.094 -0.046 0.000 1.156 77 V CA 0.797 63.075 62.300 -0.036 0.000 1.180 77 V CB 0.181 31.991 31.823 -0.022 0.000 0.932 77 V HN 0.424 nan 8.190 nan 0.000 0.483 78 G N 2.016 110.771 108.800 -0.076 0.000 2.205 78 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.261 78 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.261 78 G C 0.261 175.129 174.900 -0.052 0.000 0.980 78 G CA 0.735 45.791 45.100 -0.072 0.000 0.632 78 G HN 0.754 nan 8.290 nan 0.000 0.533 79 D N -0.314 120.064 120.400 -0.037 0.000 2.673 79 D HA 0.254 4.894 4.640 -0.000 0.000 0.278 79 D C 0.468 176.771 176.300 0.005 0.000 1.393 79 D CA -0.638 53.353 54.000 -0.015 0.000 0.805 79 D CB -0.265 40.530 40.800 -0.007 0.000 1.110 79 D HN 0.264 nan 8.370 nan 0.000 0.476 80 I N 1.807 122.385 120.570 0.013 0.000 2.396 80 I HA 0.174 4.344 4.170 -0.000 0.000 0.289 80 I C -1.303 174.877 176.117 0.105 0.000 1.056 80 I CA -1.858 59.486 61.300 0.074 0.000 1.365 80 I CB 0.785 38.849 38.000 0.107 0.000 1.407 80 I HN -0.218 nan 8.210 nan 0.000 0.509 81 P HA -0.102 nan 4.420 nan 0.000 0.217 81 P C -0.505 176.495 177.300 -0.501 0.000 1.150 81 P CA 1.518 64.457 63.100 -0.268 0.000 0.832 81 P CB 0.088 31.583 31.700 -0.342 0.000 0.787 82 Y N -0.918 119.423 120.300 0.069 0.000 2.326 82 Y HA 0.462 5.012 4.550 -0.000 0.000 0.331 82 Y C 0.513 176.442 175.900 0.049 0.000 0.962 82 Y CA -1.004 57.086 58.100 -0.017 0.000 1.167 82 Y CB 0.999 39.452 38.460 -0.013 0.000 1.148 82 Y HN 0.074 nan 8.280 nan 0.000 0.463 83 H N 0.245 119.389 119.070 0.124 0.000 3.012 83 H HA 0.858 5.414 4.556 -0.000 0.000 0.367 83 H C 0.142 175.511 175.328 0.068 0.000 1.211 83 H CA -1.224 54.873 56.048 0.082 0.000 1.139 83 H CB 1.685 31.477 29.762 0.049 0.000 1.838 83 H HN 0.893 nan 8.280 nan 0.000 0.550 84 G N 0.186 109.091 108.800 0.175 0.000 2.627 84 G HA2 -0.066 3.894 3.960 -0.000 0.000 0.214 84 G HA3 -0.066 3.894 3.960 -0.000 0.000 0.214 84 G C -0.189 174.743 174.900 0.052 0.000 1.331 84 G CA -0.429 44.733 45.100 0.103 0.000 0.891 84 G HN 1.400 nan 8.290 nan 0.000 0.539 85 S N 0.212 115.931 115.700 0.032 0.000 2.549 85 S HA 0.411 4.881 4.470 -0.000 0.000 0.286 85 S C 0.923 175.529 174.600 0.010 0.000 1.314 85 S CA 1.339 59.549 58.200 0.017 0.000 1.062 85 S CB 0.531 63.737 63.200 0.010 0.000 0.865 85 S HN 1.627 nan 8.310 nan 0.000 0.498 86 D N 1.563 121.966 120.400 0.005 0.000 3.076 86 D HA -0.205 4.435 4.640 -0.000 0.000 0.218 86 D C 1.071 177.368 176.300 -0.004 0.000 1.156 86 D CA 1.180 55.178 54.000 -0.005 0.000 0.921 86 D CB -1.632 39.164 40.800 -0.007 0.000 1.113 86 D HN 0.686 nan 8.370 nan 0.000 0.418 87 A N 0.509 123.339 122.820 0.017 0.000 1.892 87 A HA 0.009 4.329 4.320 -0.000 0.000 0.218 87 A C 2.522 180.086 177.584 -0.033 0.000 1.188 87 A CA 3.103 55.166 52.037 0.044 0.000 0.631 87 A CB -0.641 18.416 19.000 0.095 0.000 0.822 87 A HN 0.546 nan 8.150 nan 0.000 0.447 88 A N -1.227 121.573 122.820 -0.034 0.000 1.902 88 A HA -0.099 4.221 4.320 -0.000 0.000 0.217 88 A C 2.318 179.834 177.584 -0.113 0.000 1.181 88 A CA 2.370 54.364 52.037 -0.071 0.000 0.623 88 A CB -1.329 17.648 19.000 -0.038 0.000 0.818 88 A HN 0.451 nan 8.150 nan 0.000 0.443 89 T N -0.445 114.058 114.554 -0.085 0.000 2.708 89 T HA -0.149 4.201 4.350 -0.000 0.000 0.266 89 T C 2.079 176.702 174.700 -0.128 0.000 1.037 89 T CA 1.612 63.660 62.100 -0.085 0.000 1.146 89 T CB -0.236 68.602 68.868 -0.051 0.000 0.865 89 T HN 0.503 nan 8.240 nan 0.000 0.435 90 R N 0.276 120.689 120.500 -0.145 0.000 2.081 90 R HA 0.041 4.381 4.340 -0.000 0.000 0.235 90 R C 2.500 178.480 176.300 -0.533 0.000 1.131 90 R CA 0.993 56.974 56.100 -0.198 0.000 0.960 90 R CB -0.556 29.731 30.300 -0.021 0.000 0.856 90 R HN 0.323 nan 8.270 nan 0.000 0.436 91 L N 0.617 121.374 121.223 -0.776 0.000 2.046 91 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 91 L C 2.089 178.722 176.870 -0.395 0.000 1.077 91 L CA 1.266 55.565 54.840 -0.902 0.000 0.747 91 L CB -0.134 41.567 42.059 -0.598 0.000 0.896 91 L HN -0.028 nan 8.230 nan 0.000 0.432 92 V N 0.092 119.858 119.914 -0.247 0.000 2.295 92 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 92 V C 2.376 178.403 176.094 -0.112 0.000 1.049 92 V CA 2.216 64.433 62.300 -0.139 0.000 1.024 92 V CB -0.613 31.150 31.823 -0.099 0.000 0.648 92 V HN 0.513 nan 8.190 nan 0.000 0.447 93 E N -0.390 119.739 120.200 -0.117 0.000 2.204 93 E HA -0.229 4.121 4.350 -0.000 0.000 0.195 93 E C 1.901 178.470 176.600 -0.051 0.000 0.990 93 E CA 1.052 57.410 56.400 -0.070 0.000 0.821 93 E CB -0.056 29.611 29.700 -0.055 0.000 0.750 93 E HN 0.669 nan 8.360 nan 0.000 0.477 94 Q N -0.315 119.438 119.800 -0.078 0.000 2.194 94 Q HA 0.116 4.456 4.340 -0.000 0.000 0.214 94 Q C -0.515 175.486 176.000 0.003 0.000 0.838 94 Q CA 0.095 55.893 55.803 -0.008 0.000 0.972 94 Q CB 1.502 30.285 28.738 0.075 0.000 1.131 94 Q HN -0.035 nan 8.270 nan 0.000 0.498 95 T N 1.029 115.561 114.554 -0.035 0.000 2.792 95 T HA 0.233 4.583 4.350 -0.000 0.000 0.280 95 T C -0.495 174.202 174.700 -0.004 0.000 0.990 95 T CA -0.545 61.550 62.100 -0.010 0.000 0.960 95 T CB 1.686 70.537 68.868 -0.029 0.000 0.939 95 T HN 0.043 nan 8.240 nan 0.000 0.439 96 E N 1.814 122.021 120.200 0.012 0.000 2.324 96 E HA 0.498 4.848 4.350 -0.000 0.000 0.271 96 E C -0.334 176.275 176.600 0.016 0.000 1.028 96 E CA -0.285 56.123 56.400 0.013 0.000 0.890 96 E CB 0.685 30.397 29.700 0.019 0.000 1.004 96 E HN 0.741 nan 8.360 nan 0.000 0.431 97 A N 3.409 126.237 122.820 0.015 0.000 2.609 97 A HA 0.311 4.631 4.320 -0.000 0.000 0.291 97 A C -0.423 177.178 177.584 0.028 0.000 1.096 97 A CA -0.718 51.332 52.037 0.022 0.000 0.684 97 A CB 1.392 20.399 19.000 0.012 0.000 1.282 97 A HN 0.583 nan 8.150 nan 0.000 0.412 98 D N -0.644 119.782 120.400 0.043 0.000 2.379 98 D HA 0.225 4.865 4.640 -0.000 0.000 0.218 98 D C -0.041 176.291 176.300 0.054 0.000 1.006 98 D CA 1.209 55.240 54.000 0.051 0.000 0.893 98 D CB 0.851 41.692 40.800 0.069 0.000 1.019 98 D HN 0.216 nan 8.370 nan 0.000 0.503 99 V N 1.595 121.540 119.914 0.052 0.000 2.686 99 V HA 0.284 4.404 4.120 -0.000 0.000 0.306 99 V C -0.362 175.738 176.094 0.010 0.000 1.065 99 V CA -0.844 61.479 62.300 0.040 0.000 0.894 99 V CB 2.889 34.750 31.823 0.063 0.000 1.004 99 V HN -0.254 nan 8.190 nan 0.000 0.424 100 V N 5.600 125.510 119.914 -0.007 0.000 2.370 100 V HA 0.427 4.547 4.120 -0.000 0.000 0.283 100 V C -0.297 175.776 176.094 -0.035 0.000 1.023 100 V CA -0.541 61.745 62.300 -0.024 0.000 0.857 100 V CB 1.567 33.372 31.823 -0.031 0.000 0.985 100 V HN 0.689 nan 8.190 nan 0.000 0.443 101 L N 5.344 126.541 121.223 -0.043 0.000 2.261 101 L HA 0.520 4.860 4.340 -0.000 0.000 0.289 101 L C 0.068 176.909 176.870 -0.048 0.000 1.059 101 L CA 0.275 55.083 54.840 -0.053 0.000 0.816 101 L CB 0.735 42.753 42.059 -0.068 0.000 1.191 101 L HN 0.616 nan 8.230 nan 0.000 0.431 102 N N 4.458 123.129 118.700 -0.048 0.000 2.558 102 N HA 0.404 5.144 4.740 -0.000 0.000 0.233 102 N C -0.138 175.346 175.510 -0.043 0.000 1.038 102 N CA 0.211 53.235 53.050 -0.044 0.000 0.934 102 N CB 1.269 39.729 38.487 -0.045 0.000 1.175 102 N HN 0.711 nan 8.380 nan 0.000 0.512 103 A N 4.563 127.359 122.820 -0.040 0.000 2.630 103 A HA 0.301 4.621 4.320 -0.000 0.000 0.290 103 A C 0.468 178.032 177.584 -0.033 0.000 1.267 103 A CA -0.415 51.598 52.037 -0.040 0.000 0.950 103 A CB -0.246 18.726 19.000 -0.046 0.000 1.144 103 A HN 0.586 nan 8.150 nan 0.000 0.527 104 L N -0.298 120.908 121.223 -0.028 0.000 2.452 104 L HA 0.279 4.618 4.340 -0.000 0.000 0.267 104 L C 0.341 177.199 176.870 -0.020 0.000 1.188 104 L CA -0.206 54.622 54.840 -0.021 0.000 0.821 104 L CB 1.176 43.223 42.059 -0.020 0.000 1.102 104 L HN 0.107 nan 8.230 nan 0.000 0.470 105 V N 2.021 121.926 119.914 -0.015 0.000 2.483 105 V HA 0.841 4.961 4.120 -0.000 0.000 0.295 105 V C 0.392 176.480 176.094 -0.011 0.000 1.035 105 V CA 0.615 62.906 62.300 -0.014 0.000 0.896 105 V CB 0.972 32.787 31.823 -0.013 0.000 0.986 105 V HN 1.002 nan 8.190 nan 0.000 0.447 106 G N 4.678 113.472 108.800 -0.011 0.000 2.760 106 G HA2 0.108 4.068 3.960 -0.000 0.000 0.246 106 G HA3 0.108 4.068 3.960 -0.000 0.000 0.246 106 G C 0.720 175.612 174.900 -0.014 0.000 1.359 106 G CA -0.161 44.932 45.100 -0.011 0.000 0.861 106 G HN 2.018 nan 8.290 nan 0.000 0.541 107 A N -0.650 122.160 122.820 -0.016 0.000 2.172 107 A HA 0.239 4.559 4.320 -0.000 0.000 0.216 107 A C 2.458 180.031 177.584 -0.019 0.000 1.154 107 A CA 2.472 54.498 52.037 -0.019 0.000 0.701 107 A CB -0.525 18.461 19.000 -0.023 0.000 0.789 107 A HN 1.977 nan 8.150 nan 0.000 0.465 108 L N -2.723 118.490 121.223 -0.016 0.000 2.551 108 L HA 0.253 4.593 4.340 -0.000 0.000 0.228 108 L C 1.743 178.602 176.870 -0.018 0.000 1.153 108 L CA 1.429 56.260 54.840 -0.015 0.000 0.851 108 L CB -1.168 40.885 42.059 -0.011 0.000 0.959 108 L HN 0.060 nan 8.230 nan 0.000 0.451 109 G N -0.242 108.546 108.800 -0.020 0.000 2.712 109 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.212 109 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.212 109 G C 1.350 176.234 174.900 -0.028 0.000 1.142 109 G CA 0.511 45.596 45.100 -0.024 0.000 0.789 109 G HN 0.358 nan 8.290 nan 0.000 0.535 110 L N 0.774 121.982 121.223 -0.026 0.000 1.994 110 L HA 0.104 4.444 4.340 -0.000 0.000 0.208 110 L C 2.800 179.653 176.870 -0.028 0.000 1.071 110 L CA 1.662 56.486 54.840 -0.028 0.000 0.745 110 L CB -0.589 41.455 42.059 -0.025 0.000 0.892 110 L HN 0.104 nan 8.230 nan 0.000 0.431 111 R N -0.347 120.137 120.500 -0.026 0.000 2.083 111 R HA -0.146 4.194 4.340 -0.000 0.000 0.237 111 R C -0.104 176.176 176.300 -0.032 0.000 1.137 111 R CA 2.009 58.093 56.100 -0.026 0.000 0.951 111 R CB -1.778 28.508 30.300 -0.023 0.000 0.851 111 R HN 0.401 nan 8.270 nan 0.000 0.434 112 P HA -0.113 nan 4.420 nan 0.000 0.216 112 P C 1.101 178.375 177.300 -0.043 0.000 1.150 112 P CA 1.434 64.508 63.100 -0.043 0.000 0.837 112 P CB -0.042 31.632 31.700 -0.043 0.000 0.786 113 T N -0.290 114.239 114.554 -0.041 0.000 2.684 113 T HA -0.130 4.220 4.350 -0.000 0.000 0.267 113 T C 1.706 176.381 174.700 -0.042 0.000 1.036 113 T CA 1.201 63.274 62.100 -0.044 0.000 1.148 113 T CB -0.939 67.901 68.868 -0.046 0.000 0.863 113 T HN 0.046 nan 8.240 nan 0.000 0.436 114 L N 0.591 121.791 121.223 -0.037 0.000 2.046 114 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 114 L C 3.029 179.880 176.870 -0.032 0.000 1.077 114 L CA 1.318 56.139 54.840 -0.033 0.000 0.747 114 L CB -0.681 41.361 42.059 -0.028 0.000 0.896 114 L HN 0.239 nan 8.230 nan 0.000 0.432 115 A N 0.031 122.830 122.820 -0.035 0.000 1.902 115 A HA -0.166 4.154 4.320 -0.000 0.000 0.217 115 A C 2.543 180.104 177.584 -0.037 0.000 1.181 115 A CA 1.738 53.754 52.037 -0.037 0.000 0.623 115 A CB -0.711 18.262 19.000 -0.045 0.000 0.818 115 A HN 0.403 nan 8.150 nan 0.000 0.443 116 A N -0.202 122.594 122.820 -0.040 0.000 1.902 116 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 116 A C 2.170 179.735 177.584 -0.031 0.000 1.181 116 A CA 1.518 53.533 52.037 -0.037 0.000 0.623 116 A CB -0.632 18.344 19.000 -0.040 0.000 0.818 116 A HN 0.477 nan 8.150 nan 0.000 0.443 117 L N -0.791 120.412 121.223 -0.033 0.000 2.083 117 L HA -0.197 4.143 4.340 -0.000 0.000 0.209 117 L C 2.641 179.497 176.870 -0.024 0.000 1.083 117 L CA 1.866 56.687 54.840 -0.031 0.000 0.752 117 L CB -0.426 41.611 42.059 -0.036 0.000 0.899 117 L HN 0.429 nan 8.230 nan 0.000 0.433 118 K N -0.018 120.368 120.400 -0.023 0.000 2.097 118 K HA -0.184 4.136 4.320 -0.000 0.000 0.206 118 K C 2.110 178.701 176.600 -0.015 0.000 1.049 118 K CA 1.831 58.107 56.287 -0.018 0.000 0.933 118 K CB -0.053 32.436 32.500 -0.018 0.000 0.717 118 K HN 0.441 nan 8.250 nan 0.000 0.442 119 T N -2.996 111.548 114.554 -0.017 0.000 2.929 119 T HA -0.012 4.338 4.350 -0.000 0.000 0.271 119 T C 1.400 176.097 174.700 -0.006 0.000 1.085 119 T CA 1.172 63.265 62.100 -0.012 0.000 1.125 119 T CB -0.286 68.573 68.868 -0.015 0.000 0.874 119 T HN 0.412 nan 8.240 nan 0.000 0.494 120 G N 1.040 109.836 108.800 -0.007 0.000 2.157 120 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.248 120 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.248 120 G C 0.255 175.157 174.900 0.004 0.000 0.979 120 G CA 0.016 45.115 45.100 -0.002 0.000 0.650 120 G HN 1.210 nan 8.290 nan 0.000 0.529 121 A N -0.307 122.514 122.820 0.001 0.000 2.332 121 A HA 0.740 5.060 4.320 -0.000 0.000 0.258 121 A C 0.794 178.383 177.584 0.009 0.000 1.087 121 A CA 0.388 52.430 52.037 0.009 0.000 0.802 121 A CB 0.303 19.306 19.000 0.004 0.000 1.042 121 A HN 0.748 nan 8.150 nan 0.000 0.489 122 R N -0.158 120.357 120.500 0.024 0.000 2.537 122 R HA 0.283 4.623 4.340 -0.000 0.000 0.280 122 R C -0.856 175.443 176.300 -0.002 0.000 1.058 122 R CA -0.140 55.974 56.100 0.023 0.000 1.057 122 R CB 0.162 30.499 30.300 0.062 0.000 0.973 122 R HN 0.544 nan 8.270 nan 0.000 0.438 123 L N 4.482 125.688 121.223 -0.028 0.000 2.301 123 L HA 0.427 4.767 4.340 -0.000 0.000 0.278 123 L C -0.804 176.028 176.870 -0.064 0.000 1.022 123 L CA -0.085 54.727 54.840 -0.046 0.000 0.854 123 L CB 1.207 43.231 42.059 -0.058 0.000 1.226 123 L HN 0.740 nan 8.230 nan 0.000 0.429 124 A N 5.377 128.166 122.820 -0.052 0.000 2.457 124 A HA 0.438 4.758 4.320 -0.000 0.000 0.298 124 A C -0.594 176.949 177.584 -0.068 0.000 1.288 124 A CA -0.271 51.728 52.037 -0.063 0.000 0.956 124 A CB -0.332 18.638 19.000 -0.049 0.000 1.135 124 A HN 0.673 nan 8.150 nan 0.000 0.535 125 L N 3.497 124.671 121.223 -0.082 0.000 2.265 125 L HA 0.641 4.981 4.340 -0.000 0.000 0.289 125 L C 0.782 177.619 176.870 -0.055 0.000 1.033 125 L CA 0.432 55.227 54.840 -0.074 0.000 0.814 125 L CB 1.131 43.132 42.059 -0.097 0.000 1.203 125 L HN 0.643 nan 8.230 nan 0.000 0.423 126 A N 4.116 126.909 122.820 -0.044 0.000 1.963 126 A HA 0.089 4.409 4.320 -0.000 0.000 0.207 126 A C 0.990 178.561 177.584 -0.022 0.000 1.243 126 A CA 0.030 52.050 52.037 -0.029 0.000 0.728 126 A CB -0.394 18.584 19.000 -0.036 0.000 0.895 126 A HN 0.772 nan 8.150 nan 0.000 0.467 127 N N 0.994 119.677 118.700 -0.029 0.000 2.332 127 N HA -0.085 4.655 4.740 -0.000 0.000 0.274 127 N C 0.561 176.060 175.510 -0.018 0.000 1.351 127 N CA 0.338 53.374 53.050 -0.024 0.000 0.875 127 N CB 0.447 38.917 38.487 -0.029 0.000 1.140 127 N HN 0.385 nan 8.380 nan 0.000 0.489 128 K N 3.223 123.621 120.400 -0.003 0.000 2.057 128 K HA -0.145 4.175 4.320 -0.000 0.000 0.206 128 K C 1.161 177.763 176.600 0.004 0.000 1.050 128 K CA 1.302 57.595 56.287 0.011 0.000 0.935 128 K CB 0.094 32.613 32.500 0.032 0.000 0.715 128 K HN 0.540 nan 8.250 nan 0.000 0.439 129 E N 0.692 120.891 120.200 -0.001 0.000 2.265 129 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 129 E C 1.877 178.467 176.600 -0.016 0.000 0.996 129 E CA 0.781 57.179 56.400 -0.004 0.000 0.832 129 E CB -0.092 29.604 29.700 -0.008 0.000 0.756 129 E HN 0.096 nan 8.360 nan 0.000 0.491 130 S N 0.062 115.747 115.700 -0.026 0.000 2.365 130 S HA -0.160 4.309 4.470 -0.000 0.000 0.225 130 S C 1.765 176.339 174.600 -0.043 0.000 1.039 130 S CA 1.077 59.254 58.200 -0.038 0.000 1.033 130 S CB -0.143 63.028 63.200 -0.048 0.000 0.887 130 S HN 0.219 nan 8.310 nan 0.000 0.447 131 L N 0.692 121.887 121.223 -0.048 0.000 2.221 131 L HA 0.075 4.415 4.340 -0.000 0.000 0.202 131 L C 2.435 179.294 176.870 -0.018 0.000 1.074 131 L CA 0.573 55.380 54.840 -0.054 0.000 0.795 131 L CB -0.460 41.540 42.059 -0.099 0.000 0.960 131 L HN 0.312 nan 8.230 nan 0.000 0.458 132 V N -2.835 117.080 119.914 0.002 0.000 2.667 132 V HA -0.020 4.100 4.120 -0.000 0.000 0.252 132 V C 2.014 178.126 176.094 0.030 0.000 1.065 132 V CA 1.615 63.935 62.300 0.032 0.000 1.083 132 V CB -0.425 31.437 31.823 0.064 0.000 0.692 132 V HN 0.280 nan 8.190 nan 0.000 0.468 133 A N 0.555 123.381 122.820 0.010 0.000 1.984 133 A HA 0.462 4.782 4.320 -0.000 0.000 0.203 133 A C 2.243 179.821 177.584 -0.010 0.000 1.292 133 A CA 0.860 52.896 52.037 -0.002 0.000 0.782 133 A CB -0.889 18.103 19.000 -0.013 0.000 0.924 133 A HN 0.594 nan 8.150 nan 0.000 0.475 134 G N -0.486 108.306 108.800 -0.014 0.000 2.422 134 G HA2 0.277 4.237 3.960 -0.000 0.000 0.218 134 G HA3 0.277 4.237 3.960 -0.000 0.000 0.218 134 G C 1.426 176.318 174.900 -0.013 0.000 1.140 134 G CA 1.050 46.140 45.100 -0.018 0.000 0.775 134 G HN 1.394 nan 8.290 nan 0.000 0.545 135 G N 0.528 109.322 108.800 -0.011 0.000 2.702 135 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.342 135 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.342 135 G C 1.907 176.800 174.900 -0.012 0.000 1.258 135 G CA 2.665 47.764 45.100 -0.002 0.000 0.990 135 G HN 1.438 nan 8.290 nan 0.000 0.548 136 S N -0.127 115.574 115.700 0.002 0.000 2.447 136 S HA 0.099 4.568 4.470 -0.000 0.000 0.233 136 S C 2.407 176.999 174.600 -0.013 0.000 1.006 136 S CA 1.869 60.066 58.200 -0.005 0.000 0.957 136 S CB -0.080 63.124 63.200 0.008 0.000 0.773 136 S HN 0.962 nan 8.310 nan 0.000 0.507 137 L N 1.545 122.761 121.223 -0.011 0.000 2.046 137 L HA 0.024 4.364 4.340 -0.000 0.000 0.208 137 L C 2.534 179.389 176.870 -0.025 0.000 1.077 137 L CA 1.425 56.256 54.840 -0.014 0.000 0.747 137 L CB -0.545 41.508 42.059 -0.010 0.000 0.896 137 L HN 0.248 nan 8.230 nan 0.000 0.432 138 V N -0.959 118.935 119.914 -0.034 0.000 2.407 138 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 138 V C 2.395 178.455 176.094 -0.057 0.000 1.041 138 V CA 1.337 63.609 62.300 -0.047 0.000 1.040 138 V CB -0.301 31.488 31.823 -0.057 0.000 0.671 138 V HN 0.353 nan 8.190 nan 0.000 0.455 139 L N -0.338 120.849 121.223 -0.059 0.000 2.046 139 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 139 L C 2.734 179.572 176.870 -0.054 0.000 1.077 139 L CA 1.739 56.537 54.840 -0.070 0.000 0.747 139 L CB -0.602 41.413 42.059 -0.074 0.000 0.896 139 L HN 0.272 nan 8.230 nan 0.000 0.432 140 R N -0.245 120.232 120.500 -0.039 0.000 2.148 140 R HA -0.062 4.278 4.340 -0.000 0.000 0.227 140 R C 2.284 178.566 176.300 -0.029 0.000 1.103 140 R CA 1.070 57.151 56.100 -0.030 0.000 0.983 140 R CB -0.270 30.017 30.300 -0.021 0.000 0.874 140 R HN 0.324 nan 8.270 nan 0.000 0.451 141 A N 1.048 123.849 122.820 -0.033 0.000 2.021 141 A HA 0.263 4.583 4.320 -0.000 0.000 0.216 141 A C 1.088 178.652 177.584 -0.035 0.000 1.163 141 A CA 0.534 52.553 52.037 -0.031 0.000 0.676 141 A CB 0.079 19.061 19.000 -0.030 0.000 0.818 141 A HN 0.294 nan 8.150 nan 0.000 0.453 142 A N 0.098 122.890 122.820 -0.045 0.000 2.316 142 A HA 0.629 4.949 4.320 -0.000 0.000 0.284 142 A C 0.344 177.902 177.584 -0.044 0.000 1.115 142 A CA -0.508 51.499 52.037 -0.051 0.000 0.812 142 A CB 0.298 19.254 19.000 -0.073 0.000 1.064 142 A HN 0.499 nan 8.150 nan 0.000 0.489 143 R N 1.114 121.593 120.500 -0.035 0.000 2.643 143 R HA 0.451 4.791 4.340 -0.000 0.000 0.272 143 R C -2.602 173.682 176.300 -0.028 0.000 0.995 143 R CA -1.846 54.238 56.100 -0.026 0.000 1.032 143 R CB 0.588 30.880 30.300 -0.013 0.000 1.126 143 R HN 0.444 nan 8.270 nan 0.000 0.505 144 P HA -0.057 nan 4.420 nan 0.000 0.261 144 P C 0.456 177.759 177.300 0.005 0.000 1.173 144 P CA 1.122 64.215 63.100 -0.012 0.000 0.760 144 P CB 0.428 32.130 31.700 0.005 0.000 0.783 145 G N 2.465 111.263 108.800 -0.003 0.000 2.212 145 G HA2 -0.378 3.582 3.960 -0.000 0.000 0.266 145 G HA3 -0.378 3.582 3.960 -0.000 0.000 0.266 145 G C 1.116 176.013 174.900 -0.005 0.000 0.978 145 G CA 0.583 45.697 45.100 0.024 0.000 0.632 145 G HN 0.579 nan 8.290 nan 0.000 0.537 146 Q N -0.337 119.446 119.800 -0.028 0.000 2.123 146 Q HA 0.194 4.533 4.340 -0.000 0.000 0.199 146 Q C 1.168 177.127 176.000 -0.069 0.000 0.966 146 Q CA 0.686 56.471 55.803 -0.030 0.000 0.845 146 Q CB -0.010 28.709 28.738 -0.031 0.000 0.907 146 Q HN 0.681 nan 8.270 nan 0.000 0.439 147 I N 1.548 122.048 120.570 -0.117 0.000 2.315 147 I HA 0.175 4.345 4.170 -0.000 0.000 0.291 147 I C -0.965 175.011 176.117 -0.235 0.000 1.006 147 I CA -0.678 60.526 61.300 -0.160 0.000 1.265 147 I CB 1.683 39.574 38.000 -0.182 0.000 1.387 147 I HN -0.161 nan 8.210 nan 0.000 0.475 148 V N 8.624 128.398 119.914 -0.234 0.000 2.378 148 V HA 0.349 4.469 4.120 -0.000 0.000 0.288 148 V C -2.129 173.820 176.094 -0.241 0.000 1.016 148 V CA -1.750 60.343 62.300 -0.345 0.000 0.840 148 V CB 1.606 33.209 31.823 -0.367 0.000 0.994 148 V HN 0.579 nan 8.190 nan 0.000 0.431 149 P HA 0.199 nan 4.420 nan 0.000 0.275 149 P C 0.489 177.759 177.300 -0.050 0.000 1.227 149 P CA 0.064 63.092 63.100 -0.119 0.000 0.781 149 P CB 2.077 33.731 31.700 -0.077 0.000 0.906 150 V N 1.092 120.994 119.914 -0.019 0.000 2.992 150 V HA -0.019 4.101 4.120 -0.000 0.000 0.250 150 V C 1.225 177.315 176.094 -0.007 0.000 1.090 150 V CA 0.806 63.094 62.300 -0.019 0.000 1.101 150 V CB -0.840 30.962 31.823 -0.035 0.000 0.743 150 V HN 0.606 nan 8.190 nan 0.000 0.468 151 D N 1.015 121.435 120.400 0.034 0.000 2.493 151 D HA -0.060 4.580 4.640 -0.000 0.000 0.240 151 D C 1.574 177.828 176.300 -0.076 0.000 1.142 151 D CA 0.934 54.919 54.000 -0.024 0.000 0.872 151 D CB 1.638 42.427 40.800 -0.019 0.000 1.173 151 D HN 0.328 nan 8.370 nan 0.000 0.467 152 S N 3.570 119.199 115.700 -0.118 0.000 2.400 152 S HA -0.205 4.265 4.470 -0.000 0.000 0.232 152 S C 1.347 175.887 174.600 -0.101 0.000 1.025 152 S CA 0.806 58.912 58.200 -0.156 0.000 0.993 152 S CB -0.095 62.950 63.200 -0.259 0.000 0.808 152 S HN 0.586 nan 8.310 nan 0.000 0.478 153 E N 1.520 121.637 120.200 -0.138 0.000 2.047 153 E HA -0.133 4.217 4.350 -0.000 0.000 0.191 153 E C 2.042 178.606 176.600 -0.060 0.000 0.987 153 E CA 1.580 57.905 56.400 -0.124 0.000 0.799 153 E CB -0.585 28.973 29.700 -0.237 0.000 0.752 153 E HN 0.843 nan 8.360 nan 0.000 0.449 154 H N 0.150 119.272 119.070 0.087 0.000 2.428 154 H HA 0.011 4.567 4.556 -0.000 0.000 0.296 154 H C 2.394 177.811 175.328 0.148 0.000 1.062 154 H CA 1.109 57.266 56.048 0.182 0.000 1.350 154 H CB 0.108 29.953 29.762 0.139 0.000 1.403 154 H HN 0.022 nan 8.280 nan 0.000 0.533 155 S N 0.497 116.285 115.700 0.147 0.000 2.368 155 S HA -0.199 4.271 4.470 -0.000 0.000 0.225 155 S C 2.403 177.058 174.600 0.092 0.000 1.030 155 S CA 0.924 59.176 58.200 0.086 0.000 0.999 155 S CB -0.368 62.855 63.200 0.038 0.000 0.844 155 S HN 0.505 nan 8.310 nan 0.000 0.459 156 A N 1.594 124.453 122.820 0.066 0.000 1.883 156 A HA 0.004 4.324 4.320 -0.000 0.000 0.217 156 A C 2.240 179.836 177.584 0.021 0.000 1.186 156 A CA 1.627 53.704 52.037 0.066 0.000 0.624 156 A CB -0.939 18.113 19.000 0.087 0.000 0.822 156 A HN 0.581 nan 8.150 nan 0.000 0.444 157 L N -0.772 120.429 121.223 -0.036 0.000 2.012 157 L HA -0.233 4.107 4.340 -0.000 0.000 0.210 157 L C 3.132 179.813 176.870 -0.314 0.000 1.073 157 L CA 1.162 55.858 54.840 -0.239 0.000 0.748 157 L CB -0.670 41.142 42.059 -0.411 0.000 0.891 157 L HN 0.452 nan 8.230 nan 0.000 0.431 158 A N -0.343 122.382 122.820 -0.159 0.000 1.908 158 A HA -0.282 4.038 4.320 -0.000 0.000 0.218 158 A C 2.229 179.931 177.584 0.197 0.000 1.181 158 A CA 1.888 53.936 52.037 0.019 0.000 0.627 158 A CB -0.513 18.507 19.000 0.034 0.000 0.818 158 A HN 0.520 nan 8.150 nan 0.000 0.445 159 Q N -1.209 118.715 119.800 0.207 0.000 2.079 159 Q HA -0.146 4.194 4.340 -0.000 0.000 0.200 159 Q C 2.297 178.380 176.000 0.138 0.000 0.974 159 Q CA 1.606 57.539 55.803 0.217 0.000 0.840 159 Q CB -0.390 28.459 28.738 0.184 0.000 0.898 159 Q HN 0.760 nan 8.270 nan 0.000 0.430 160 C N 0.548 119.898 119.300 0.085 0.000 2.435 160 C HA -0.050 4.410 4.460 -0.000 0.000 0.279 160 C C 2.414 177.508 174.990 0.174 0.000 1.321 160 C CA 0.330 59.410 59.018 0.103 0.000 1.752 160 C CB -0.889 26.875 27.740 0.041 0.000 1.959 160 C HN 0.465 nan 8.230 nan 0.000 0.500 161 L N 0.500 121.768 121.223 0.075 0.000 2.353 161 L HA -0.126 4.214 4.340 -0.000 0.000 0.220 161 L C 2.620 179.611 176.870 0.203 0.000 1.133 161 L CA 1.140 56.052 54.840 0.120 0.000 0.798 161 L CB -0.540 41.494 42.059 -0.042 0.000 0.922 161 L HN 0.355 nan 8.230 nan 0.000 0.445 162 R N -0.098 120.502 120.500 0.166 0.000 2.241 162 R HA -0.091 4.249 4.340 -0.000 0.000 0.224 162 R C 2.131 178.465 176.300 0.058 0.000 1.101 162 R CA 0.891 57.059 56.100 0.114 0.000 0.995 162 R CB -0.475 29.879 30.300 0.090 0.000 0.870 162 R HN 0.392 nan 8.270 nan 0.000 0.463 163 G N -0.101 108.747 108.800 0.081 0.000 2.848 163 G HA2 0.152 4.112 3.960 -0.000 0.000 0.208 163 G HA3 0.152 4.112 3.960 -0.000 0.000 0.208 163 G C 0.354 174.924 174.900 -0.550 0.000 1.152 163 G CA 0.553 45.542 45.100 -0.185 0.000 0.789 163 G HN 0.441 nan 8.290 nan 0.000 0.531 164 G N -1.232 107.422 108.800 -0.243 0.000 2.488 164 G HA2 0.494 4.453 3.960 -0.000 0.000 0.301 164 G HA3 0.494 4.453 3.960 -0.000 0.000 0.301 164 G C -0.347 174.596 174.900 0.072 0.000 1.339 164 G CA 0.118 45.106 45.100 -0.186 0.000 0.803 164 G HN 0.526 nan 8.290 nan 0.000 0.482 165 T N -1.219 113.377 114.554 0.069 0.000 2.788 165 T HA 0.467 4.816 4.350 -0.000 0.000 0.287 165 T C -1.315 173.464 174.700 0.133 0.000 1.007 165 T CA -0.745 61.408 62.100 0.087 0.000 1.005 165 T CB 1.574 70.473 68.868 0.053 0.000 1.012 165 T HN 0.133 nan 8.240 nan 0.000 0.530 166 P HA -0.053 nan 4.420 nan 0.000 0.216 166 P C 0.852 178.191 177.300 0.066 0.000 1.150 166 P CA 1.000 64.146 63.100 0.076 0.000 0.843 166 P CB -0.068 31.666 31.700 0.056 0.000 0.787 167 D N -0.816 119.622 120.400 0.063 0.000 2.312 167 D HA -0.098 4.542 4.640 -0.000 0.000 0.211 167 D C 1.481 177.824 176.300 0.072 0.000 0.964 167 D CA 0.818 54.849 54.000 0.052 0.000 0.877 167 D CB -0.389 40.435 40.800 0.040 0.000 0.924 167 D HN 0.365 nan 8.370 nan 0.000 0.515 168 E N -0.148 120.127 120.200 0.124 0.000 2.478 168 E HA 0.055 4.405 4.350 -0.000 0.000 0.194 168 E C 0.029 176.777 176.600 0.247 0.000 1.045 168 E CA -0.087 56.432 56.400 0.198 0.000 0.868 168 E CB 0.860 30.697 29.700 0.229 0.000 0.885 168 E HN 0.008 nan 8.360 nan 0.000 0.505 169 V N 1.446 121.419 119.914 0.097 0.000 2.521 169 V HA 0.062 4.182 4.120 -0.000 0.000 0.286 169 V C 0.893 176.931 176.094 -0.094 0.000 1.034 169 V CA 0.404 62.631 62.300 -0.122 0.000 1.045 169 V CB 1.116 32.842 31.823 -0.161 0.000 0.974 169 V HN 0.204 nan 8.190 nan 0.000 0.480 170 A N 5.331 128.064 122.820 -0.144 0.000 1.909 170 A HA 0.340 4.660 4.320 -0.000 0.000 0.209 170 A C 0.857 178.378 177.584 -0.106 0.000 1.247 170 A CA 0.502 52.487 52.037 -0.086 0.000 0.660 170 A CB 0.278 19.246 19.000 -0.052 0.000 0.910 170 A HN 0.679 nan 8.150 nan 0.000 0.465 171 K N -0.415 119.888 120.400 -0.161 0.000 2.498 171 K HA 0.643 4.963 4.320 -0.000 0.000 0.254 171 K C -1.669 174.824 176.600 -0.179 0.000 0.933 171 K CA -0.321 55.886 56.287 -0.132 0.000 0.806 171 K CB 2.303 34.743 32.500 -0.099 0.000 1.301 171 K HN 0.204 nan 8.250 nan 0.000 0.432 172 L N 2.744 123.889 121.223 -0.129 0.000 2.282 172 L HA 0.521 4.861 4.340 -0.000 0.000 0.288 172 L C -0.698 176.126 176.870 -0.077 0.000 1.033 172 L CA -1.195 53.568 54.840 -0.128 0.000 0.807 172 L CB 1.498 43.497 42.059 -0.100 0.000 1.209 172 L HN 0.258 nan 8.230 nan 0.000 0.423 173 V N 4.806 124.670 119.914 -0.084 0.000 2.326 173 V HA 0.317 4.437 4.120 -0.000 0.000 0.281 173 V C 0.018 176.094 176.094 -0.030 0.000 1.015 173 V CA -0.513 61.754 62.300 -0.055 0.000 0.823 173 V CB 1.452 33.224 31.823 -0.085 0.000 1.009 173 V HN 0.449 nan 8.190 nan 0.000 0.436 174 L N 4.654 125.879 121.223 0.002 0.000 2.375 174 L HA 0.573 4.912 4.340 -0.000 0.000 0.271 174 L C 0.958 177.847 176.870 0.032 0.000 1.107 174 L CA 0.504 55.355 54.840 0.018 0.000 0.806 174 L CB 1.555 43.633 42.059 0.032 0.000 1.146 174 L HN 0.822 nan 8.230 nan 0.000 0.447 175 T N -0.156 114.424 114.554 0.043 0.000 2.907 175 T HA 0.871 5.221 4.350 -0.000 0.000 0.284 175 T C -0.328 174.402 174.700 0.051 0.000 1.004 175 T CA -0.761 61.389 62.100 0.082 0.000 1.063 175 T CB 1.713 70.654 68.868 0.121 0.000 0.992 175 T HN 0.747 nan 8.240 nan 0.000 0.483 176 A N 1.371 124.218 122.820 0.045 0.000 2.393 176 A HA 0.644 4.964 4.320 -0.000 0.000 0.306 176 A C 1.143 178.700 177.584 -0.044 0.000 1.050 176 A CA -0.358 51.672 52.037 -0.011 0.000 0.724 176 A CB 1.424 20.405 19.000 -0.031 0.000 1.248 176 A HN 1.207 nan 8.150 nan 0.000 0.424 177 S N 1.557 117.204 115.700 -0.087 0.000 2.440 177 S HA 0.176 4.646 4.470 -0.000 0.000 0.238 177 S C 1.594 176.104 174.600 -0.150 0.000 1.010 177 S CA 1.707 59.826 58.200 -0.136 0.000 0.972 177 S CB -0.328 62.787 63.200 -0.142 0.000 0.774 177 S HN 2.744 nan 8.310 nan 0.000 0.501 178 G N 0.564 109.265 108.800 -0.165 0.000 2.225 178 G HA2 0.132 4.092 3.960 -0.000 0.000 0.254 178 G HA3 0.132 4.092 3.960 -0.000 0.000 0.254 178 G C 1.284 176.003 174.900 -0.302 0.000 0.988 178 G CA 0.400 45.356 45.100 -0.239 0.000 0.625 178 G HN 1.945 nan 8.290 nan 0.000 0.527 179 G N -0.097 108.551 108.800 -0.255 0.000 2.750 179 G HA2 0.114 4.074 3.960 -0.000 0.000 0.228 179 G HA3 0.114 4.074 3.960 -0.000 0.000 0.228 179 G C -0.620 174.033 174.900 -0.411 0.000 1.367 179 G CA 0.454 45.366 45.100 -0.313 0.000 0.871 179 G HN 0.937 nan 8.290 nan 0.000 0.560 180 P HA 0.052 nan 4.420 nan 0.000 0.223 180 P C 1.050 177.765 177.300 -0.977 0.000 1.151 180 P CA 1.415 64.033 63.100 -0.804 0.000 0.787 180 P CB -0.081 30.976 31.700 -1.072 0.000 0.788 181 F N -0.566 118.994 119.950 -0.650 0.000 2.684 181 F HA 0.296 4.823 4.527 -0.000 0.000 0.298 181 F C 1.279 176.884 175.800 -0.326 0.000 1.120 181 F CA -1.101 56.242 58.000 -1.095 0.000 1.332 181 F CB -0.077 38.376 39.000 -0.913 0.000 0.986 181 F HN -0.284 nan 8.300 nan 0.000 0.524 182 R N 1.412 121.845 120.500 -0.112 0.000 2.504 182 R HA 0.149 4.489 4.340 -0.000 0.000 0.291 182 R C 1.305 177.775 176.300 0.283 0.000 0.974 182 R CA 1.254 57.362 56.100 0.014 0.000 1.077 182 R CB -0.001 30.267 30.300 -0.053 0.000 0.926 182 R HN 0.591 nan 8.270 nan 0.000 0.407 183 G N 3.530 112.526 108.800 0.326 0.000 2.162 183 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.260 183 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.260 183 G C -0.544 174.641 174.900 0.475 0.000 0.976 183 G CA 0.209 45.521 45.100 0.353 0.000 0.655 183 G HN 0.603 nan 8.290 nan 0.000 0.533 184 W N 2.131 123.586 121.300 0.259 0.000 2.218 184 W HA 0.599 5.259 4.660 -0.000 0.000 0.326 184 W C 1.263 177.847 176.519 0.107 0.000 1.276 184 W CA -0.365 57.086 57.345 0.177 0.000 1.210 184 W CB 0.737 30.313 29.460 0.193 0.000 1.143 184 W HN 0.508 nan 8.180 nan 0.000 0.563 185 S N 1.424 117.231 115.700 0.178 0.000 2.624 185 S HA 0.477 4.947 4.470 -0.000 0.000 0.263 185 S C 1.179 175.789 174.600 0.017 0.000 1.287 185 S CA -0.173 58.070 58.200 0.071 0.000 0.990 185 S CB 1.206 64.414 63.200 0.012 0.000 0.950 185 S HN 0.641 nan 8.310 nan 0.000 0.561 186 A N 1.570 124.369 122.820 -0.036 0.000 1.908 186 A HA 0.053 4.373 4.320 -0.000 0.000 0.218 186 A C 2.411 179.946 177.584 -0.081 0.000 1.181 186 A CA 2.058 54.048 52.037 -0.080 0.000 0.627 186 A CB -1.751 17.205 19.000 -0.074 0.000 0.818 186 A HN 1.365 nan 8.150 nan 0.000 0.445 187 A N -0.045 122.737 122.820 -0.064 0.000 1.902 187 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 187 A C 1.777 179.256 177.584 -0.176 0.000 1.181 187 A CA 1.908 53.902 52.037 -0.073 0.000 0.623 187 A CB -0.659 18.326 19.000 -0.025 0.000 0.818 187 A HN 0.461 nan 8.150 nan 0.000 0.443 188 D N 0.199 120.498 120.400 -0.168 0.000 2.133 188 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 188 D C 1.828 177.910 176.300 -0.363 0.000 0.997 188 D CA 1.134 54.958 54.000 -0.293 0.000 0.840 188 D CB -0.387 40.276 40.800 -0.229 0.000 0.947 188 D HN 0.450 nan 8.370 nan 0.000 0.452 189 L N 0.866 122.002 121.223 -0.145 0.000 2.275 189 L HA -0.115 4.225 4.340 -0.000 0.000 0.215 189 L C 2.256 178.993 176.870 -0.221 0.000 1.119 189 L CA 0.713 55.453 54.840 -0.166 0.000 0.790 189 L CB -0.254 41.762 42.059 -0.070 0.000 0.919 189 L HN -0.016 nan 8.230 nan 0.000 0.443 190 E N 0.110 120.147 120.200 -0.273 0.000 2.118 190 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 190 E C 1.485 178.027 176.600 -0.097 0.000 0.992 190 E CA 1.229 57.536 56.400 -0.154 0.000 0.804 190 E CB -0.270 29.375 29.700 -0.092 0.000 0.741 190 E HN 0.721 nan 8.360 nan 0.000 0.458 191 H N -0.780 118.303 119.070 0.022 0.000 2.507 191 H HA 0.289 4.845 4.556 -0.000 0.000 0.294 191 H C 0.276 175.627 175.328 0.038 0.000 1.064 191 H CA -0.330 55.740 56.048 0.036 0.000 1.138 191 H CB -0.417 29.358 29.762 0.022 0.000 1.515 191 H HN -0.196 nan 8.280 nan 0.000 0.547 192 V N 3.478 123.361 119.914 -0.052 0.000 2.529 192 V HA -0.007 4.113 4.120 -0.000 0.000 0.292 192 V C 1.092 177.277 176.094 0.151 0.000 1.028 192 V CA 0.481 62.685 62.300 -0.160 0.000 1.074 192 V CB 0.950 32.279 31.823 -0.823 0.000 0.958 192 V HN 0.673 nan 8.190 nan 0.000 0.481 193 T N 3.520 118.181 114.554 0.178 0.000 2.943 193 T HA 0.429 4.779 4.350 -0.000 0.000 0.284 193 T C -1.813 173.020 174.700 0.221 0.000 1.015 193 T CA -2.090 60.118 62.100 0.180 0.000 1.042 193 T CB 1.898 70.823 68.868 0.095 0.000 1.055 193 T HN 0.359 nan 8.240 nan 0.000 0.500 194 P HA -0.147 nan 4.420 nan 0.000 0.215 194 P C 1.223 178.515 177.300 -0.013 0.000 1.163 194 P CA 1.350 64.364 63.100 -0.143 0.000 0.894 194 P CB 0.021 31.519 31.700 -0.336 0.000 0.791 195 E N -0.373 119.786 120.200 -0.068 0.000 2.097 195 E HA -0.235 4.115 4.350 -0.000 0.000 0.196 195 E C 2.189 178.735 176.600 -0.090 0.000 1.000 195 E CA 1.333 57.645 56.400 -0.146 0.000 0.804 195 E CB -0.880 28.768 29.700 -0.086 0.000 0.740 195 E HN 0.406 nan 8.360 nan 0.000 0.454 196 Q N -0.133 119.709 119.800 0.069 0.000 2.124 196 Q HA -0.025 4.315 4.340 -0.000 0.000 0.202 196 Q C 1.857 177.950 176.000 0.154 0.000 0.977 196 Q CA 1.173 57.075 55.803 0.164 0.000 0.850 196 Q CB -0.164 28.742 28.738 0.280 0.000 0.901 196 Q HN 0.321 nan 8.270 nan 0.000 0.429 197 A N 0.084 123.043 122.820 0.230 0.000 2.263 197 A HA 0.203 4.523 4.320 -0.000 0.000 0.205 197 A C 1.334 178.936 177.584 0.030 0.000 1.226 197 A CA 0.837 52.976 52.037 0.170 0.000 0.810 197 A CB -0.761 18.496 19.000 0.428 0.000 0.784 197 A HN 0.503 nan 8.150 nan 0.000 0.486 198 G N -2.304 106.477 108.800 -0.031 0.000 2.141 198 G HA2 0.048 4.008 3.960 -0.000 0.000 0.242 198 G HA3 0.048 4.008 3.960 -0.000 0.000 0.242 198 G C 0.404 175.264 174.900 -0.067 0.000 0.982 198 G CA 0.165 45.258 45.100 -0.012 0.000 0.662 198 G HN 1.710 nan 8.290 nan 0.000 0.527 199 A N 0.733 123.457 122.820 -0.159 0.000 2.655 199 A HA 0.611 4.931 4.320 -0.000 0.000 0.297 199 A C 0.329 177.705 177.584 -0.346 0.000 1.461 199 A CA 0.366 52.311 52.037 -0.153 0.000 1.146 199 A CB -0.285 18.662 19.000 -0.089 0.000 1.108 199 A HN 0.679 nan 8.150 nan 0.000 0.550 200 H N 1.653 120.737 119.070 0.024 0.000 2.731 200 H HA 0.507 5.063 4.556 -0.000 0.000 0.368 200 H C -2.206 173.139 175.328 0.029 0.000 1.168 200 H CA -1.946 54.118 56.048 0.027 0.000 1.181 200 H CB 1.051 30.830 29.762 0.029 0.000 1.743 200 H HN 0.344 nan 8.280 nan 0.000 0.547 201 P HA 0.081 nan 4.420 nan 0.000 0.218 201 P C -0.642 176.739 177.300 0.134 0.000 1.793 201 P CA -0.336 62.834 63.100 0.116 0.000 0.941 201 P CB -0.618 31.140 31.700 0.096 0.000 1.919 202 T N 1.682 116.314 114.554 0.129 0.000 2.888 202 T HA -0.023 4.326 4.350 -0.000 0.000 0.301 202 T C 1.224 175.979 174.700 0.091 0.000 1.001 202 T CA -0.367 61.806 62.100 0.121 0.000 1.147 202 T CB 0.449 69.355 68.868 0.064 0.000 0.931 202 T HN 0.435 nan 8.240 nan 0.000 0.541 203 W N 2.850 124.161 121.300 0.019 0.000 2.421 203 W HA -0.054 4.606 4.660 -0.000 0.000 0.270 203 W C 1.317 177.838 176.519 0.003 0.000 1.233 203 W CA 0.939 58.294 57.345 0.018 0.000 1.226 203 W CB -0.676 28.789 29.460 0.008 0.000 1.121 203 W HN 0.618 nan 8.180 nan 0.000 0.579 204 S N -0.117 114.953 115.700 -1.051 0.000 2.891 204 S HA 0.194 4.664 4.470 -0.000 0.000 0.247 204 S C 0.809 175.107 174.600 -0.504 0.000 1.063 204 S CA -0.435 57.112 58.200 -1.088 0.000 0.857 204 S CB -0.441 61.776 63.200 -1.638 0.000 0.800 204 S HN 0.091 nan 8.310 nan 0.000 0.540 205 M N 2.755 122.127 119.600 -0.379 0.000 2.246 205 M HA 0.306 4.786 4.480 -0.000 0.000 0.350 205 M C 0.495 176.727 176.300 -0.115 0.000 1.406 205 M CA -0.100 55.084 55.300 -0.193 0.000 1.089 205 M CB 0.460 32.982 32.600 -0.129 0.000 1.782 205 M HN 0.391 nan 8.290 nan 0.000 0.457 206 G N 5.087 113.838 108.800 -0.081 0.000 2.569 206 G HA2 0.273 4.233 3.960 -0.000 0.000 0.249 206 G HA3 0.273 4.233 3.960 -0.000 0.000 0.249 206 G C -1.885 173.009 174.900 -0.010 0.000 1.216 206 G CA -1.112 43.967 45.100 -0.036 0.000 0.845 206 G HN 0.635 nan 8.290 nan 0.000 0.568 207 P HA -0.074 nan 4.420 nan 0.000 0.223 207 P C 1.803 179.127 177.300 0.040 0.000 1.151 207 P CA 0.792 63.908 63.100 0.026 0.000 0.787 207 P CB 0.194 31.908 31.700 0.024 0.000 0.788 208 M N -0.374 119.244 119.600 0.030 0.000 2.319 208 M HA -0.052 4.428 4.480 -0.000 0.000 0.265 208 M C 1.555 177.873 176.300 0.029 0.000 1.068 208 M CA 1.079 56.401 55.300 0.037 0.000 1.118 208 M CB -1.359 31.254 32.600 0.022 0.000 1.395 208 M HN -0.002 nan 8.290 nan 0.000 0.435 209 N N 0.465 119.171 118.700 0.010 0.000 2.106 209 N HA -0.099 4.641 4.740 -0.000 0.000 0.188 209 N C 1.736 177.246 175.510 0.000 0.000 1.029 209 N CA 2.205 55.253 53.050 -0.003 0.000 0.848 209 N CB -0.939 37.533 38.487 -0.025 0.000 1.007 209 N HN 0.431 nan 8.380 nan 0.000 0.423 210 T N 0.618 115.175 114.554 0.005 0.000 2.788 210 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 210 T C 2.028 176.742 174.700 0.023 0.000 1.044 210 T CA 0.593 62.692 62.100 -0.002 0.000 1.139 210 T CB -0.519 68.354 68.868 0.009 0.000 0.867 210 T HN 0.028 nan 8.240 nan 0.000 0.454 211 L N 2.153 123.423 121.223 0.077 0.000 2.017 211 L HA 0.029 4.369 4.340 -0.000 0.000 0.208 211 L C 1.956 178.902 176.870 0.126 0.000 1.073 211 L CA 1.722 56.655 54.840 0.155 0.000 0.745 211 L CB -1.218 40.963 42.059 0.203 0.000 0.894 211 L HN 0.085 nan 8.230 nan 0.000 0.432 212 N N -0.896 117.846 118.700 0.069 0.000 2.166 212 N HA -0.165 4.575 4.740 -0.000 0.000 0.186 212 N C 2.093 177.628 175.510 0.042 0.000 1.019 212 N CA 1.325 54.403 53.050 0.048 0.000 0.856 212 N CB -0.423 38.083 38.487 0.032 0.000 0.993 212 N HN 0.479 nan 8.380 nan 0.000 0.426 213 S N 0.236 115.946 115.700 0.017 0.000 2.356 213 S HA -0.022 4.448 4.470 -0.000 0.000 0.223 213 S C 1.973 176.557 174.600 -0.027 0.000 1.032 213 S CA 1.258 59.445 58.200 -0.021 0.000 1.005 213 S CB -0.303 62.864 63.200 -0.054 0.000 0.867 213 S HN 0.359 nan 8.310 nan 0.000 0.449 214 A N 1.095 123.916 122.820 0.002 0.000 1.933 214 A HA -0.046 4.274 4.320 -0.000 0.000 0.218 214 A C 2.373 180.179 177.584 0.371 0.000 1.175 214 A CA 2.145 54.205 52.037 0.038 0.000 0.628 214 A CB -0.970 18.037 19.000 0.011 0.000 0.814 214 A HN 0.843 nan 8.150 nan 0.000 0.444 215 S N -1.666 114.238 115.700 0.341 0.000 2.558 215 S HA 0.263 4.733 4.470 -0.000 0.000 0.217 215 S C 0.838 175.569 174.600 0.219 0.000 0.975 215 S CA 0.486 58.849 58.200 0.272 0.000 0.912 215 S CB 0.040 63.207 63.200 -0.054 0.000 0.776 215 S HN 0.616 nan 8.310 nan 0.000 0.526 216 L N -0.126 121.174 121.223 0.128 0.000 4.759 216 L HA -0.184 4.156 4.340 -0.000 0.000 0.419 216 L C 1.358 178.288 176.870 0.099 0.000 1.093 216 L CA 0.607 55.491 54.840 0.073 0.000 1.037 216 L CB -2.497 39.609 42.059 0.077 0.000 2.095 216 L HN 0.386 nan 8.230 nan 0.000 0.739 217 V N -0.457 119.512 119.914 0.092 0.000 2.453 217 V HA -0.207 3.913 4.120 -0.000 0.000 0.247 217 V C 2.206 178.380 176.094 0.134 0.000 1.048 217 V CA 2.286 64.658 62.300 0.120 0.000 1.049 217 V CB -0.382 31.453 31.823 0.020 0.000 0.672 217 V HN 0.583 nan 8.190 nan 0.000 0.457 218 N N 0.787 119.535 118.700 0.079 0.000 2.061 218 N HA -0.254 4.486 4.740 -0.000 0.000 0.193 218 N C 1.736 177.290 175.510 0.073 0.000 1.030 218 N CA 1.787 54.877 53.050 0.066 0.000 0.856 218 N CB -0.204 38.300 38.487 0.028 0.000 1.023 218 N HN 0.237 nan 8.380 nan 0.000 0.424 219 K N -0.232 120.205 120.400 0.061 0.000 2.097 219 K HA 0.080 4.400 4.320 -0.000 0.000 0.205 219 K C 1.886 178.539 176.600 0.088 0.000 1.050 219 K CA 1.396 57.718 56.287 0.058 0.000 0.938 219 K CB -1.011 31.510 32.500 0.036 0.000 0.718 219 K HN 0.315 nan 8.250 nan 0.000 0.442 220 G N 0.546 109.417 108.800 0.118 0.000 2.418 220 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.217 220 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.217 220 G C 1.483 176.427 174.900 0.074 0.000 1.158 220 G CA 0.921 46.080 45.100 0.098 0.000 0.771 220 G HN 0.279 nan 8.290 nan 0.000 0.545 221 L N 0.089 121.410 121.223 0.163 0.000 2.046 221 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 221 L C 2.872 179.833 176.870 0.151 0.000 1.077 221 L CA 1.380 56.312 54.840 0.153 0.000 0.747 221 L CB -0.434 41.725 42.059 0.167 0.000 0.896 221 L HN 0.294 nan 8.230 nan 0.000 0.432 222 E N -0.470 119.827 120.200 0.163 0.000 2.150 222 E HA -0.156 4.194 4.350 -0.000 0.000 0.193 222 E C 2.301 179.092 176.600 0.318 0.000 0.985 222 E CA 0.923 57.479 56.400 0.259 0.000 0.814 222 E CB -0.001 29.742 29.700 0.073 0.000 0.752 222 E HN 0.257 nan 8.360 nan 0.000 0.466 223 V N 1.408 121.439 119.914 0.196 0.000 2.343 223 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 223 V C 2.199 178.440 176.094 0.245 0.000 1.051 223 V CA 1.526 63.945 62.300 0.198 0.000 1.036 223 V CB -0.327 31.591 31.823 0.158 0.000 0.654 223 V HN 0.258 nan 8.190 nan 0.000 0.451 224 I N -0.157 120.544 120.570 0.219 0.000 2.179 224 I HA -0.259 3.911 4.170 -0.000 0.000 0.242 224 I C 2.526 178.726 176.117 0.137 0.000 1.088 224 I CA 1.743 63.192 61.300 0.248 0.000 1.357 224 I CB -0.384 37.673 38.000 0.094 0.000 1.051 224 I HN 0.383 nan 8.210 nan 0.000 0.409 225 E N 0.104 120.337 120.200 0.055 0.000 2.106 225 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 225 E C 2.125 178.553 176.600 -0.286 0.000 0.984 225 E CA 1.758 58.070 56.400 -0.147 0.000 0.806 225 E CB -0.198 29.362 29.700 -0.233 0.000 0.750 225 E HN 0.451 nan 8.360 nan 0.000 0.458 226 T N 0.156 114.662 114.554 -0.081 0.000 2.635 226 T HA -0.254 4.096 4.350 -0.000 0.000 0.267 226 T C 1.741 176.439 174.700 -0.003 0.000 1.040 226 T CA 1.941 64.087 62.100 0.076 0.000 1.156 226 T CB -0.477 68.549 68.868 0.262 0.000 0.863 226 T HN 0.348 nan 8.240 nan 0.000 0.430 227 H N 1.057 120.021 119.070 -0.177 0.000 2.319 227 H HA -0.013 4.543 4.556 -0.000 0.000 0.299 227 H C 1.998 177.178 175.328 -0.247 0.000 1.092 227 H CA 1.567 57.409 56.048 -0.343 0.000 1.302 227 H CB -0.525 28.735 29.762 -0.837 0.000 1.373 227 H HN 0.284 nan 8.280 nan 0.000 0.497 228 L N -0.514 120.539 121.223 -0.284 0.000 2.072 228 L HA -0.107 4.233 4.340 -0.000 0.000 0.205 228 L C 2.624 179.261 176.870 -0.387 0.000 1.079 228 L CA 0.867 55.521 54.840 -0.310 0.000 0.752 228 L CB -0.382 41.585 42.059 -0.154 0.000 0.906 228 L HN 0.276 nan 8.230 nan 0.000 0.436 229 L N -1.283 119.631 121.223 -0.515 0.000 2.056 229 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 229 L C 1.857 178.254 176.870 -0.789 0.000 1.078 229 L CA 1.614 55.967 54.840 -0.813 0.000 0.749 229 L CB -0.194 41.049 42.059 -1.360 0.000 0.901 229 L HN 0.179 nan 8.230 nan 0.000 0.433 230 F N -1.672 118.152 119.950 -0.211 0.000 2.706 230 F HA 0.330 4.857 4.527 -0.000 0.000 0.308 230 F C 1.542 177.230 175.800 -0.186 0.000 1.095 230 F CA 0.236 58.137 58.000 -0.166 0.000 1.244 230 F CB 0.476 39.401 39.000 -0.125 0.000 1.063 230 F HN 0.052 nan 8.300 nan 0.000 0.582 231 G N 1.855 110.550 108.800 -0.175 0.000 2.198 231 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 231 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 231 G C -0.111 174.697 174.900 -0.153 0.000 1.042 231 G CA -0.239 44.721 45.100 -0.235 0.000 0.791 231 G HN 0.161 nan 8.290 nan 0.000 0.502 232 I N 0.628 121.123 120.570 -0.125 0.000 2.392 232 I HA 0.351 4.521 4.170 -0.000 0.000 0.295 232 I C -1.828 174.300 176.117 0.018 0.000 0.985 232 I CA -2.962 58.312 61.300 -0.042 0.000 1.221 232 I CB 1.304 39.288 38.000 -0.027 0.000 1.366 232 I HN -0.150 nan 8.210 nan 0.000 0.467 233 P HA 0.073 nan 4.420 nan 0.000 0.269 233 P C 0.402 177.695 177.300 -0.011 0.000 1.215 233 P CA 0.145 63.276 63.100 0.053 0.000 0.780 233 P CB 0.445 32.175 31.700 0.050 0.000 0.898 234 Y N 1.077 121.374 120.300 -0.005 0.000 2.274 234 Y HA -0.232 4.318 4.550 -0.000 0.000 0.290 234 Y C 2.015 177.902 175.900 -0.022 0.000 1.145 234 Y CA 1.693 59.763 58.100 -0.050 0.000 1.203 234 Y CB -0.556 37.816 38.460 -0.147 0.000 0.984 234 Y HN 0.423 nan 8.280 nan 0.000 0.533 235 D N -0.433 120.040 120.400 0.122 0.000 2.378 235 D HA -0.095 4.545 4.640 -0.000 0.000 0.227 235 D C 1.164 177.488 176.300 0.040 0.000 1.012 235 D CA 0.682 54.723 54.000 0.069 0.000 0.905 235 D CB -0.329 40.501 40.800 0.049 0.000 0.895 235 D HN 0.261 nan 8.370 nan 0.000 0.532 236 R N -0.187 120.332 120.500 0.032 0.000 2.472 236 R HA 0.357 4.697 4.340 -0.000 0.000 0.279 236 R C -0.006 176.291 176.300 -0.005 0.000 0.953 236 R CA -0.257 55.844 56.100 0.002 0.000 1.088 236 R CB 0.889 31.182 30.300 -0.012 0.000 1.197 236 R HN 0.213 nan 8.270 nan 0.000 0.536 237 I N 1.924 122.508 120.570 0.024 0.000 2.330 237 I HA 0.198 4.367 4.170 -0.000 0.000 0.286 237 I C -0.607 175.535 176.117 0.043 0.000 1.025 237 I CA -0.587 60.732 61.300 0.031 0.000 1.197 237 I CB 1.247 39.282 38.000 0.058 0.000 1.358 237 I HN -0.181 nan 8.210 nan 0.000 0.467 238 D N 5.434 125.845 120.400 0.017 0.000 2.326 238 D HA 0.579 5.219 4.640 -0.000 0.000 0.251 238 D C -0.457 175.857 176.300 0.025 0.000 1.023 238 D CA -0.308 53.703 54.000 0.018 0.000 0.966 238 D CB 2.685 43.482 40.800 -0.006 0.000 1.156 238 D HN 0.041 nan 8.370 nan 0.000 0.494 239 V N 0.960 120.893 119.914 0.031 0.000 2.638 239 V HA 0.422 4.542 4.120 -0.000 0.000 0.306 239 V C -0.449 175.670 176.094 0.042 0.000 1.052 239 V CA -0.833 61.489 62.300 0.037 0.000 0.885 239 V CB 2.211 34.060 31.823 0.043 0.000 0.999 239 V HN 0.287 nan 8.190 nan 0.000 0.424 240 V N 5.686 125.635 119.914 0.059 0.000 2.680 240 V HA 0.613 4.733 4.120 -0.000 0.000 0.309 240 V C -0.411 175.765 176.094 0.137 0.000 1.052 240 V CA -0.427 61.934 62.300 0.101 0.000 0.908 240 V CB 2.446 34.333 31.823 0.107 0.000 1.001 240 V HN 0.645 nan 8.190 nan 0.000 0.431 241 V N 6.086 126.078 119.914 0.131 0.000 2.488 241 V HA 0.335 4.455 4.120 -0.000 0.000 0.277 241 V C -0.352 175.847 176.094 0.174 0.000 1.046 241 V CA -0.117 62.241 62.300 0.097 0.000 0.986 241 V CB 0.900 32.739 31.823 0.026 0.000 0.989 241 V HN 0.999 nan 8.190 nan 0.000 0.475 242 H N 6.981 126.036 119.070 -0.026 0.000 2.974 242 H HA 0.420 4.976 4.556 -0.000 0.000 0.285 242 H C -2.512 172.718 175.328 -0.163 0.000 1.227 242 H CA -1.798 54.164 56.048 -0.143 0.000 1.569 242 H CB 2.144 31.822 29.762 -0.140 0.000 1.648 242 H HN 0.310 nan 8.280 nan 0.000 0.521 243 P HA -0.111 nan 4.420 nan 0.000 0.220 243 P C 0.985 178.031 177.300 -0.424 0.000 1.148 243 P CA 0.966 63.878 63.100 -0.315 0.000 0.803 243 P CB 0.485 32.076 31.700 -0.181 0.000 0.782 244 Q N -1.037 118.349 119.800 -0.688 0.000 2.297 244 Q HA 0.059 4.399 4.340 -0.000 0.000 0.204 244 Q C 0.804 176.496 176.000 -0.513 0.000 0.962 244 Q CA 0.627 56.115 55.803 -0.525 0.000 0.879 244 Q CB -0.779 27.727 28.738 -0.386 0.000 0.947 244 Q HN -0.008 nan 8.270 nan 0.000 0.462 245 S N -0.776 114.496 115.700 -0.713 0.000 3.614 245 S HA -0.203 4.267 4.470 -0.000 0.000 0.360 245 S C 0.641 175.012 174.600 -0.381 0.000 1.023 245 S CA 0.630 58.618 58.200 -0.353 0.000 1.114 245 S CB -1.721 61.375 63.200 -0.174 0.000 0.907 245 S HN 0.411 nan 8.310 nan 0.000 0.470 246 I N -0.322 120.023 120.570 -0.375 0.000 2.947 246 I HA 0.210 4.380 4.170 -0.000 0.000 0.263 246 I C 0.980 176.588 176.117 -0.848 0.000 1.130 246 I CA 0.411 61.368 61.300 -0.572 0.000 1.448 246 I CB 0.133 37.753 38.000 -0.632 0.000 1.222 246 I HN 0.323 nan 8.210 nan 0.000 0.453 247 I N 2.236 122.383 120.570 -0.704 0.000 2.452 247 I HA -0.042 4.128 4.170 -0.000 0.000 0.287 247 I C 1.070 176.923 176.117 -0.440 0.000 1.079 247 I CA 0.242 61.185 61.300 -0.594 0.000 1.387 247 I CB 0.481 38.156 38.000 -0.541 0.000 1.404 247 I HN 0.293 nan 8.210 nan 0.000 0.522 248 H N 3.750 122.772 119.070 -0.081 0.000 2.592 248 H HA 0.333 4.889 4.556 -0.000 0.000 0.265 248 H C 0.247 175.553 175.328 -0.036 0.000 0.955 248 H CA 0.108 56.130 56.048 -0.044 0.000 1.175 248 H CB 0.914 30.648 29.762 -0.047 0.000 1.433 248 H HN 0.599 nan 8.280 nan 0.000 0.537 249 S N -0.539 115.179 115.700 0.030 0.000 2.718 249 S HA 0.325 4.795 4.470 -0.000 0.000 0.271 249 S C -1.364 173.223 174.600 -0.022 0.000 0.999 249 S CA -0.787 57.413 58.200 0.001 0.000 0.899 249 S CB 1.246 64.447 63.200 0.003 0.000 1.148 249 S HN 0.102 nan 8.310 nan 0.000 0.463 250 M N 1.398 120.967 119.600 -0.052 0.000 2.531 250 M HA 0.629 5.109 4.480 -0.000 0.000 0.286 250 M C -1.568 174.660 176.300 -0.121 0.000 1.232 250 M CA -0.815 54.445 55.300 -0.067 0.000 0.877 250 M CB 2.199 34.750 32.600 -0.081 0.000 1.726 250 M HN 0.354 nan 8.290 nan 0.000 0.463 251 V N 0.794 120.621 119.914 -0.145 0.000 2.487 251 V HA 0.500 4.620 4.120 -0.000 0.000 0.298 251 V C -0.439 175.436 176.094 -0.364 0.000 1.028 251 V CA -0.529 61.573 62.300 -0.329 0.000 0.860 251 V CB 2.006 33.537 31.823 -0.488 0.000 0.991 251 V HN 0.881 nan 8.190 nan 0.000 0.427 252 T N 5.729 120.055 114.554 -0.380 0.000 2.749 252 T HA 0.623 4.973 4.350 -0.000 0.000 0.287 252 T C -0.437 174.046 174.700 -0.361 0.000 0.970 252 T CA 0.018 61.973 62.100 -0.241 0.000 0.980 252 T CB 0.312 69.103 68.868 -0.128 0.000 0.924 252 T HN 0.283 nan 8.240 nan 0.000 0.456 253 F N 1.975 121.907 119.950 -0.029 0.000 2.380 253 F HA 0.393 4.919 4.527 -0.000 0.000 0.321 253 F C 1.971 177.759 175.800 -0.018 0.000 1.103 253 F CA -1.265 56.722 58.000 -0.023 0.000 1.067 253 F CB 0.538 39.526 39.000 -0.020 0.000 1.265 253 F HN 0.551 nan 8.300 nan 0.000 0.517 254 I N -1.423 119.256 120.570 0.181 0.000 2.530 254 I HA -0.200 3.969 4.170 -0.000 0.000 0.257 254 I C 1.416 177.577 176.117 0.073 0.000 1.179 254 I CA 1.420 62.774 61.300 0.090 0.000 1.440 254 I CB -0.599 37.445 38.000 0.073 0.000 1.087 254 I HN 0.560 nan 8.210 nan 0.000 0.440 255 D N 1.162 121.616 120.400 0.090 0.000 2.347 255 D HA 0.088 4.728 4.640 -0.000 0.000 0.213 255 D C 1.764 178.092 176.300 0.047 0.000 0.985 255 D CA 0.946 54.978 54.000 0.053 0.000 0.879 255 D CB -0.010 40.811 40.800 0.034 0.000 0.919 255 D HN 0.539 nan 8.370 nan 0.000 0.526 256 G N -0.508 108.332 108.800 0.066 0.000 2.184 256 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.206 256 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.206 256 G C 0.228 175.164 174.900 0.059 0.000 0.995 256 G CA 0.152 45.279 45.100 0.045 0.000 0.651 256 G HN 0.538 nan 8.290 nan 0.000 0.511 257 S N 0.861 116.621 115.700 0.099 0.000 2.531 257 S HA 0.587 5.057 4.470 -0.000 0.000 0.279 257 S C 0.459 175.175 174.600 0.194 0.000 1.305 257 S CA 0.918 59.189 58.200 0.118 0.000 1.058 257 S CB 0.667 63.922 63.200 0.091 0.000 0.899 257 S HN 0.441 nan 8.310 nan 0.000 0.493 258 T N 6.116 120.743 114.554 0.121 0.000 2.797 258 T HA 0.508 4.858 4.350 -0.000 0.000 0.279 258 T C -0.544 174.238 174.700 0.137 0.000 0.991 258 T CA -0.561 61.601 62.100 0.103 0.000 0.979 258 T CB 0.607 69.476 68.868 0.001 0.000 0.943 258 T HN 0.448 nan 8.240 nan 0.000 0.444 259 I N 2.741 123.425 120.570 0.190 0.000 2.404 259 I HA 0.705 4.875 4.170 -0.000 0.000 0.293 259 I C 0.204 176.376 176.117 0.092 0.000 0.992 259 I CA -1.013 60.389 61.300 0.170 0.000 1.149 259 I CB 1.128 39.294 38.000 0.276 0.000 1.315 259 I HN 0.711 nan 8.210 nan 0.000 0.446 260 A N 6.246 129.117 122.820 0.084 0.000 2.401 260 A HA 0.644 4.964 4.320 -0.000 0.000 0.310 260 A C -0.766 176.861 177.584 0.072 0.000 1.075 260 A CA -0.590 51.481 52.037 0.057 0.000 0.746 260 A CB 2.280 21.316 19.000 0.061 0.000 1.277 260 A HN 0.650 nan 8.150 nan 0.000 0.425 261 Q N 0.799 120.630 119.800 0.051 0.000 2.293 261 Q HA 0.670 5.010 4.340 -0.000 0.000 0.261 261 Q C -1.085 174.934 176.000 0.031 0.000 0.960 261 Q CA -0.421 55.428 55.803 0.076 0.000 0.882 261 Q CB 1.803 30.602 28.738 0.102 0.000 1.275 261 Q HN 1.052 nan 8.270 nan 0.000 0.445 262 A N 2.734 125.581 122.820 0.044 0.000 2.381 262 A HA 0.757 5.077 4.320 -0.000 0.000 0.299 262 A C -1.166 176.449 177.584 0.051 0.000 1.049 262 A CA -0.319 51.664 52.037 -0.090 0.000 0.715 262 A CB 1.281 20.159 19.000 -0.202 0.000 1.222 262 A HN 0.788 nan 8.150 nan 0.000 0.428 263 S N 1.431 117.171 115.700 0.067 0.000 2.543 263 S HA 0.771 5.241 4.470 -0.000 0.000 0.274 263 S C -3.451 171.232 174.600 0.138 0.000 1.149 263 S CA -1.364 56.911 58.200 0.126 0.000 0.866 263 S CB 1.414 64.701 63.200 0.144 0.000 1.111 263 S HN 0.338 nan 8.310 nan 0.000 0.457 264 P HA 0.302 nan 4.420 nan 0.000 0.265 264 P C -2.579 174.774 177.300 0.090 0.000 1.193 264 P CA -0.702 62.423 63.100 0.042 0.000 0.765 264 P CB -0.748 30.961 31.700 0.015 0.000 0.823 265 P HA 0.062 nan 4.420 nan 0.000 0.261 265 P C -0.608 176.700 177.300 0.013 0.000 1.183 265 P CA 1.100 64.251 63.100 0.085 0.000 0.761 265 P CB 0.194 31.926 31.700 0.053 0.000 0.785 266 D N 3.649 124.030 120.400 -0.032 0.000 2.192 266 D HA 0.030 4.670 4.640 -0.000 0.000 0.200 266 D C 0.584 176.843 176.300 -0.068 0.000 1.281 266 D CA -0.286 53.693 54.000 -0.035 0.000 0.895 266 D CB 0.505 41.297 40.800 -0.013 0.000 1.643 266 D HN -0.005 nan 8.370 nan 0.000 0.510 267 M N 2.184 121.745 119.600 -0.066 0.000 2.460 267 M HA -0.023 4.457 4.480 -0.000 0.000 0.263 267 M C 1.570 177.836 176.300 -0.056 0.000 1.071 267 M CA 0.939 56.193 55.300 -0.076 0.000 1.096 267 M CB -0.367 32.192 32.600 -0.068 0.000 1.408 267 M HN 0.386 nan 8.290 nan 0.000 0.463 268 K N -0.171 120.207 120.400 -0.037 0.000 2.209 268 K HA -0.161 4.159 4.320 -0.000 0.000 0.204 268 K C 1.847 178.441 176.600 -0.010 0.000 1.048 268 K CA 0.732 57.007 56.287 -0.021 0.000 0.940 268 K CB -0.161 32.336 32.500 -0.005 0.000 0.729 268 K HN 0.138 nan 8.250 nan 0.000 0.451 269 L N 1.950 123.162 121.223 -0.019 0.000 1.961 269 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 269 L C -1.234 175.638 176.870 0.003 0.000 1.072 269 L CA 1.919 56.757 54.840 -0.004 0.000 0.749 269 L CB -1.024 41.023 42.059 -0.021 0.000 0.889 269 L HN 0.055 nan 8.230 nan 0.000 0.432 270 P HA -0.155 nan 4.420 nan 0.000 0.218 270 P C 2.186 179.487 177.300 0.003 0.000 1.149 270 P CA 1.705 64.799 63.100 -0.010 0.000 0.817 270 P CB -0.051 31.614 31.700 -0.059 0.000 0.785 271 I N 0.894 121.450 120.570 -0.022 0.000 2.179 271 I HA -0.261 3.909 4.170 -0.000 0.000 0.242 271 I C 2.810 178.909 176.117 -0.030 0.000 1.088 271 I CA 2.156 63.433 61.300 -0.038 0.000 1.357 271 I CB -0.843 37.122 38.000 -0.057 0.000 1.051 271 I HN 0.087 nan 8.210 nan 0.000 0.409 272 S N 1.143 116.843 115.700 0.001 0.000 2.368 272 S HA -0.211 4.259 4.470 -0.000 0.000 0.225 272 S C 2.028 176.704 174.600 0.127 0.000 1.030 272 S CA 1.099 59.324 58.200 0.042 0.000 0.999 272 S CB -0.807 62.444 63.200 0.084 0.000 0.844 272 S HN 0.344 nan 8.310 nan 0.000 0.459 273 L N 2.026 123.337 121.223 0.146 0.000 2.093 273 L HA 0.278 4.618 4.340 -0.000 0.000 0.208 273 L C 2.695 179.753 176.870 0.314 0.000 1.085 273 L CA 1.537 56.525 54.840 0.246 0.000 0.755 273 L CB -1.326 40.893 42.059 0.267 0.000 0.904 273 L HN 0.399 nan 8.230 nan 0.000 0.435 274 A N -0.706 122.218 122.820 0.173 0.000 1.930 274 A HA -0.129 4.190 4.320 -0.000 0.000 0.217 274 A C 2.247 179.902 177.584 0.119 0.000 1.175 274 A CA 1.707 53.811 52.037 0.111 0.000 0.627 274 A CB -0.735 18.265 19.000 -0.001 0.000 0.815 274 A HN 0.471 nan 8.150 nan 0.000 0.443 275 L N -1.000 120.251 121.223 0.046 0.000 2.017 275 L HA -0.122 4.217 4.340 -0.000 0.000 0.208 275 L C 2.544 179.579 176.870 0.275 0.000 1.073 275 L CA 1.326 56.151 54.840 -0.025 0.000 0.745 275 L CB -0.555 41.214 42.059 -0.483 0.000 0.894 275 L HN 0.507 nan 8.230 nan 0.000 0.432 276 G N -2.165 106.875 108.800 0.400 0.000 3.088 276 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.217 276 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.217 276 G C 0.417 175.484 174.900 0.279 0.000 1.159 276 G CA -0.551 44.810 45.100 0.436 0.000 0.760 276 G HN 0.233 nan 8.290 nan 0.000 0.550 277 W N 2.587 123.956 121.300 0.116 0.000 2.484 277 W HA 0.009 4.668 4.660 -0.000 0.000 0.337 277 W C -1.514 175.044 176.519 0.065 0.000 1.214 277 W CA -0.743 56.648 57.345 0.078 0.000 1.296 277 W CB 0.917 30.414 29.460 0.063 0.000 1.174 277 W HN 0.121 nan 8.180 nan 0.000 0.564 278 P HA 0.059 nan 4.420 nan 0.000 0.255 278 P C 0.015 176.984 177.300 -0.552 0.000 1.248 278 P CA 0.548 62.947 63.100 -1.168 0.000 0.807 278 P CB 0.129 31.247 31.700 -0.970 0.000 1.150 279 R N 1.305 121.665 120.500 -0.232 0.000 2.267 279 R HA 0.267 4.607 4.340 -0.000 0.000 0.319 279 R C 0.606 176.888 176.300 -0.030 0.000 1.067 279 R CA -0.361 55.669 56.100 -0.118 0.000 0.936 279 R CB 0.818 31.075 30.300 -0.070 0.000 1.006 279 R HN 0.142 nan 8.270 nan 0.000 0.452 280 R N 1.381 121.861 120.500 -0.032 0.000 2.694 280 R HA 0.128 4.468 4.340 -0.000 0.000 0.268 280 R C -0.279 176.049 176.300 0.047 0.000 1.061 280 R CA -0.225 55.892 56.100 0.028 0.000 1.133 280 R CB 0.640 30.949 30.300 0.016 0.000 1.020 280 R HN 0.249 nan 8.270 nan 0.000 0.475 281 V N 2.091 122.056 119.914 0.086 0.000 2.311 281 V HA 0.045 4.165 4.120 -0.000 0.000 0.275 281 V C 0.455 176.591 176.094 0.069 0.000 1.022 281 V CA -0.434 61.924 62.300 0.097 0.000 0.830 281 V CB 1.309 33.245 31.823 0.188 0.000 1.012 281 V HN 0.791 nan 8.190 nan 0.000 0.452 282 S N 4.287 120.013 115.700 0.043 0.000 2.575 282 S HA 0.326 4.796 4.470 -0.000 0.000 0.295 282 S C 1.401 176.027 174.600 0.043 0.000 1.267 282 S CA 1.006 59.227 58.200 0.036 0.000 1.074 282 S CB -0.036 63.176 63.200 0.021 0.000 0.829 282 S HN 1.922 nan 8.310 nan 0.000 0.497 283 G N 3.269 112.094 108.800 0.041 0.000 2.148 283 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.254 283 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.254 283 G C 0.929 175.856 174.900 0.044 0.000 0.981 283 G CA 0.477 45.601 45.100 0.040 0.000 0.670 283 G HN 1.331 nan 8.290 nan 0.000 0.528 284 A N -0.797 122.054 122.820 0.051 0.000 1.902 284 A HA 0.571 4.891 4.320 -0.000 0.000 0.217 284 A C 1.625 179.230 177.584 0.036 0.000 1.181 284 A CA 2.520 54.588 52.037 0.052 0.000 0.623 284 A CB -0.147 18.890 19.000 0.061 0.000 0.818 284 A HN 2.352 nan 8.150 nan 0.000 0.443 285 A N -2.715 120.125 122.820 0.034 0.000 2.593 285 A HA 0.709 5.029 4.320 -0.000 0.000 0.290 285 A C -0.165 177.436 177.584 0.028 0.000 1.126 285 A CA -0.129 51.924 52.037 0.026 0.000 0.695 285 A CB 0.219 19.230 19.000 0.018 0.000 1.290 285 A HN 1.454 nan 8.150 nan 0.000 0.414 286 A N 0.128 122.962 122.820 0.023 0.000 2.388 286 A HA 0.657 4.977 4.320 -0.000 0.000 0.257 286 A C 0.657 178.254 177.584 0.022 0.000 1.095 286 A CA 0.394 52.443 52.037 0.021 0.000 0.791 286 A CB -0.087 18.922 19.000 0.015 0.000 1.029 286 A HN 2.313 nan 8.150 nan 0.000 0.489 287 A N 0.997 123.830 122.820 0.020 0.000 2.287 287 A HA 0.485 4.805 4.320 -0.000 0.000 0.273 287 A C 0.458 178.022 177.584 -0.032 0.000 1.091 287 A CA -0.345 51.704 52.037 0.020 0.000 0.817 287 A CB -0.120 18.903 19.000 0.039 0.000 1.069 287 A HN 1.012 nan 8.150 nan 0.000 0.492 288 C N 1.534 120.801 119.300 -0.056 0.000 2.563 288 C HA 0.193 4.653 4.460 -0.000 0.000 0.411 288 C C 0.505 175.207 174.990 -0.482 0.000 1.386 288 C CA 0.343 59.211 59.018 -0.250 0.000 1.703 288 C CB -1.022 26.582 27.740 -0.227 0.000 2.596 288 C HN 0.788 nan 8.230 nan 0.000 0.605 289 D N 0.920 121.002 120.400 -0.530 0.000 2.308 289 D HA 0.382 5.022 4.640 -0.000 0.000 0.242 289 D C -0.414 175.538 176.300 -0.580 0.000 1.059 289 D CA -0.495 53.251 54.000 -0.423 0.000 0.830 289 D CB 0.688 41.415 40.800 -0.123 0.000 1.161 289 D HN 0.498 nan 8.370 nan 0.000 0.494 290 F N 1.753 121.612 119.950 -0.152 0.000 2.684 290 F HA 0.212 4.739 4.527 0.000 0.000 0.298 290 F C 1.532 177.230 175.800 -0.169 0.000 1.120 290 F CA -0.315 57.594 58.000 -0.152 0.000 1.332 290 F CB 0.295 39.200 39.000 -0.158 0.000 0.986 290 F HN 0.482 nan 8.300 nan 0.000 0.524 291 H N -1.507 117.621 119.070 0.097 0.000 2.512 291 H HA 0.037 4.593 4.556 -0.000 0.000 0.279 291 H C 1.163 176.520 175.328 0.048 0.000 0.999 291 H CA 0.864 56.953 56.048 0.067 0.000 1.283 291 H CB 0.458 30.245 29.762 0.041 0.000 1.421 291 H HN 0.057 nan 8.280 nan 0.000 0.554 292 T N -0.001 114.635 114.554 0.137 0.000 2.863 292 T HA 0.620 4.970 4.350 -0.000 0.000 0.285 292 T C -0.447 174.292 174.700 0.065 0.000 1.009 292 T CA -0.824 61.328 62.100 0.086 0.000 0.989 292 T CB 1.019 69.926 68.868 0.065 0.000 1.004 292 T HN 0.274 nan 8.240 nan 0.000 0.455 293 A N 3.416 126.265 122.820 0.049 0.000 2.520 293 A HA 0.581 4.900 4.320 -0.000 0.000 0.245 293 A C 0.624 178.226 177.584 0.029 0.000 1.072 293 A CA 0.156 52.213 52.037 0.033 0.000 0.761 293 A CB -0.431 18.582 19.000 0.021 0.000 1.004 293 A HN 1.385 nan 8.150 nan 0.000 0.499 294 S N 0.971 116.681 115.700 0.016 0.000 2.671 294 S HA 0.875 5.345 4.470 -0.000 0.000 0.277 294 S C -0.568 174.016 174.600 -0.028 0.000 1.165 294 S CA 0.010 58.223 58.200 0.022 0.000 0.822 294 S CB 1.516 64.757 63.200 0.068 0.000 1.150 294 S HN 1.876 nan 8.310 nan 0.000 0.479 295 S N -0.173 115.540 115.700 0.021 0.000 2.588 295 S HA 0.773 5.243 4.470 -0.000 0.000 0.275 295 S C -1.982 172.755 174.600 0.229 0.000 1.130 295 S CA -0.817 57.384 58.200 0.001 0.000 0.855 295 S CB 0.789 63.998 63.200 0.015 0.000 1.116 295 S HN 0.766 nan 8.310 nan 0.000 0.472 296 W N 1.549 122.847 121.300 -0.002 0.000 2.318 296 W HA 0.525 5.185 4.660 0.000 0.000 0.315 296 W C -0.087 176.273 176.519 -0.265 0.000 1.033 296 W CA -1.113 56.194 57.345 -0.064 0.000 1.275 296 W CB 0.203 29.625 29.460 -0.063 0.000 1.250 296 W HN 0.751 nan 8.180 nan 0.000 0.421 297 E N 1.968 122.122 120.200 -0.077 0.000 2.214 297 E HA 0.641 4.990 4.350 -0.000 0.000 0.274 297 E C -1.142 175.218 176.600 -0.399 0.000 0.977 297 E CA -0.714 55.596 56.400 -0.150 0.000 0.827 297 E CB 1.624 31.306 29.700 -0.030 0.000 1.130 297 E HN 0.056 nan 8.360 nan 0.000 0.394 298 F N 1.006 121.054 119.950 0.163 0.000 2.576 298 F HA 0.362 4.889 4.527 -0.000 0.000 0.313 298 F C -0.107 175.743 175.800 0.083 0.000 1.078 298 F CA -0.816 57.255 58.000 0.120 0.000 0.921 298 F CB 1.924 40.969 39.000 0.074 0.000 1.232 298 F HN 0.383 nan 8.300 nan 0.000 0.459 299 E N 1.549 121.902 120.200 0.255 0.000 2.392 299 E HA 0.509 4.859 4.350 -0.000 0.000 0.279 299 E C -3.308 173.371 176.600 0.132 0.000 0.964 299 E CA -2.369 54.127 56.400 0.161 0.000 0.777 299 E CB 2.596 32.365 29.700 0.115 0.000 1.249 299 E HN 0.148 nan 8.360 nan 0.000 0.449 300 P HA 0.106 nan 4.420 nan 0.000 0.274 300 P C -0.653 176.699 177.300 0.087 0.000 1.237 300 P CA -0.646 62.507 63.100 0.088 0.000 0.793 300 P CB 0.716 32.462 31.700 0.077 0.000 0.977 301 L N 1.790 123.061 121.223 0.079 0.000 2.326 301 L HA 0.302 4.642 4.340 -0.000 0.000 0.278 301 L C 0.106 177.059 176.870 0.138 0.000 1.092 301 L CA -0.137 54.755 54.840 0.086 0.000 0.810 301 L CB 0.064 42.157 42.059 0.057 0.000 1.153 301 L HN 0.205 nan 8.230 nan 0.000 0.439 302 D N 2.413 122.940 120.400 0.212 0.000 2.359 302 D HA 0.023 4.663 4.640 -0.000 0.000 0.250 302 D C 1.205 177.641 176.300 0.227 0.000 1.264 302 D CA 0.470 54.595 54.000 0.208 0.000 0.911 302 D CB 1.011 41.939 40.800 0.213 0.000 1.056 302 D HN 0.753 nan 8.370 nan 0.000 0.499 303 T N 0.273 114.916 114.554 0.150 0.000 3.051 303 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 303 T C 1.102 175.856 174.700 0.091 0.000 1.127 303 T CA 0.575 62.753 62.100 0.130 0.000 1.107 303 T CB 0.160 69.082 68.868 0.090 0.000 0.898 303 T HN 0.161 nan 8.240 nan 0.000 0.517 304 D N 0.970 121.412 120.400 0.070 0.000 2.162 304 D HA 0.031 4.671 4.640 -0.000 0.000 0.203 304 D C 2.180 178.469 176.300 -0.019 0.000 0.967 304 D CA 0.685 54.701 54.000 0.025 0.000 0.840 304 D CB 0.004 40.817 40.800 0.021 0.000 0.972 304 D HN 0.367 nan 8.370 nan 0.000 0.482 305 V N -0.348 119.550 119.914 -0.026 0.000 2.725 305 V HA -0.009 4.111 4.120 -0.000 0.000 0.247 305 V C 0.470 176.293 176.094 -0.452 0.000 1.058 305 V CA 0.791 62.955 62.300 -0.226 0.000 1.080 305 V CB -0.083 31.611 31.823 -0.216 0.000 0.713 305 V HN 0.010 nan 8.190 nan 0.000 0.465 306 F N 1.439 121.421 119.950 0.053 0.000 2.550 306 F HA 0.415 4.942 4.527 -0.000 0.000 0.348 306 F C -1.943 173.877 175.800 0.034 0.000 1.219 306 F CA -1.724 56.304 58.000 0.047 0.000 1.203 306 F CB 1.328 40.369 39.000 0.069 0.000 1.436 306 F HN 0.052 nan 8.300 nan 0.000 0.541 307 P HA 0.092 nan 4.420 nan 0.000 0.257 307 P C 1.267 178.631 177.300 0.108 0.000 1.281 307 P CA 0.396 63.551 63.100 0.092 0.000 0.826 307 P CB 0.427 32.150 31.700 0.039 0.000 1.237 308 A N 0.464 123.368 122.820 0.140 0.000 1.940 308 A HA -0.143 4.176 4.320 -0.000 0.000 0.219 308 A C 2.207 179.902 177.584 0.185 0.000 1.176 308 A CA 1.922 54.064 52.037 0.175 0.000 0.631 308 A CB -1.539 17.559 19.000 0.163 0.000 0.814 308 A HN 0.105 nan 8.150 nan 0.000 0.446 309 V N 0.164 120.153 119.914 0.124 0.000 2.379 309 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 309 V C 2.474 178.577 176.094 0.016 0.000 1.044 309 V CA 1.885 64.226 62.300 0.069 0.000 1.036 309 V CB -0.760 31.105 31.823 0.070 0.000 0.664 309 V HN 0.509 nan 8.190 nan 0.000 0.453 310 E N 0.414 120.634 120.200 0.034 0.000 2.085 310 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 310 E C 2.229 178.811 176.600 -0.031 0.000 0.994 310 E CA 1.176 57.578 56.400 0.002 0.000 0.801 310 E CB -0.384 29.331 29.700 0.025 0.000 0.743 310 E HN 0.506 nan 8.360 nan 0.000 0.453 311 L N 0.447 121.684 121.223 0.024 0.000 2.141 311 L HA -0.128 4.212 4.340 -0.000 0.000 0.209 311 L C 2.496 179.286 176.870 -0.133 0.000 1.094 311 L CA 0.945 55.815 54.840 0.049 0.000 0.763 311 L CB -0.430 41.763 42.059 0.222 0.000 0.908 311 L HN 0.066 nan 8.230 nan 0.000 0.437 312 A N 0.076 122.707 122.820 -0.316 0.000 1.898 312 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 312 A C 2.367 179.602 177.584 -0.582 0.000 1.181 312 A CA 1.258 52.830 52.037 -0.775 0.000 0.620 312 A CB -0.416 18.227 19.000 -0.596 0.000 0.819 312 A HN 0.291 nan 8.150 nan 0.000 0.442 313 R N -0.499 119.743 120.500 -0.430 0.000 2.091 313 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 313 R C 2.474 178.420 176.300 -0.591 0.000 1.136 313 R CA 1.857 57.594 56.100 -0.605 0.000 0.959 313 R CB -0.405 29.744 30.300 -0.251 0.000 0.856 313 R HN 0.701 nan 8.270 nan 0.000 0.437 314 Q N -0.094 119.511 119.800 -0.326 0.000 2.084 314 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 314 Q C 2.212 178.070 176.000 -0.235 0.000 0.978 314 Q CA 1.628 57.301 55.803 -0.217 0.000 0.844 314 Q CB -0.157 28.523 28.738 -0.096 0.000 0.898 314 Q HN 0.373 nan 8.270 nan 0.000 0.426 315 A N 0.841 123.502 122.820 -0.265 0.000 1.898 315 A HA -0.087 4.233 4.320 -0.000 0.000 0.216 315 A C 2.295 179.717 177.584 -0.270 0.000 1.181 315 A CA 1.584 53.497 52.037 -0.205 0.000 0.620 315 A CB -1.117 17.768 19.000 -0.191 0.000 0.819 315 A HN 0.476 nan 8.150 nan 0.000 0.442 316 G N -0.727 107.763 108.800 -0.516 0.000 2.408 316 G HA2 -0.053 3.907 3.960 -0.000 0.000 0.217 316 G HA3 -0.053 3.907 3.960 -0.000 0.000 0.217 316 G C 1.482 176.146 174.900 -0.394 0.000 1.150 316 G CA 1.143 45.916 45.100 -0.546 0.000 0.776 316 G HN 0.298 nan 8.290 nan 0.000 0.542 317 V N 1.527 121.129 119.914 -0.519 0.000 2.358 317 V HA -0.116 4.004 4.120 -0.000 0.000 0.246 317 V C 3.321 179.358 176.094 -0.095 0.000 1.047 317 V CA 1.937 64.117 62.300 -0.200 0.000 1.035 317 V CB -0.763 30.954 31.823 -0.177 0.000 0.658 317 V HN 0.457 nan 8.190 nan 0.000 0.452 318 A N -0.846 121.908 122.820 -0.110 0.000 1.940 318 A HA 0.226 4.546 4.320 -0.000 0.000 0.219 318 A C 1.687 179.255 177.584 -0.027 0.000 1.176 318 A CA 1.720 53.722 52.037 -0.058 0.000 0.631 318 A CB -0.947 18.021 19.000 -0.054 0.000 0.814 318 A HN 1.233 nan 8.150 nan 0.000 0.446 319 G N -2.871 105.915 108.800 -0.023 0.000 2.642 319 G HA2 0.273 4.233 3.960 -0.000 0.000 0.231 319 G HA3 0.273 4.233 3.960 -0.000 0.000 0.231 319 G C 1.218 176.135 174.900 0.028 0.000 1.338 319 G CA 0.609 45.721 45.100 0.020 0.000 0.883 319 G HN 2.331 nan 8.290 nan 0.000 0.570 320 G N -1.966 106.857 108.800 0.040 0.000 2.596 320 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.304 320 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.304 320 G C 1.342 176.275 174.900 0.056 0.000 1.189 320 G CA 1.778 46.906 45.100 0.047 0.000 0.986 320 G HN 2.194 nan 8.290 nan 0.000 0.548 321 C N 1.539 120.890 119.300 0.086 0.000 2.780 321 C HA 0.418 4.878 4.460 -0.000 0.000 0.287 321 C C 2.719 177.741 174.990 0.053 0.000 1.288 321 C CA 0.653 59.711 59.018 0.067 0.000 1.713 321 C CB -1.073 26.728 27.740 0.102 0.000 1.955 321 C HN 0.513 nan 8.230 nan 0.000 0.613 322 M N 1.673 121.312 119.600 0.065 0.000 2.213 322 M HA -0.083 4.396 4.480 -0.000 0.000 0.263 322 M C 2.390 178.727 176.300 0.061 0.000 1.062 322 M CA 1.894 57.232 55.300 0.062 0.000 1.105 322 M CB -1.716 30.902 32.600 0.031 0.000 1.385 322 M HN 0.647 nan 8.290 nan 0.000 0.417 323 T N -1.620 112.956 114.554 0.037 0.000 2.942 323 T HA 0.129 4.479 4.350 -0.000 0.000 0.265 323 T C 1.949 176.708 174.700 0.099 0.000 1.062 323 T CA 1.025 63.157 62.100 0.053 0.000 1.139 323 T CB -0.454 68.419 68.868 0.010 0.000 0.883 323 T HN 0.291 nan 8.240 nan 0.000 0.468 324 A N 1.269 124.114 122.820 0.041 0.000 1.933 324 A HA 0.065 4.385 4.320 -0.000 0.000 0.218 324 A C 2.573 180.159 177.584 0.003 0.000 1.175 324 A CA 1.544 53.584 52.037 0.005 0.000 0.628 324 A CB -1.074 17.892 19.000 -0.056 0.000 0.814 324 A HN 0.412 nan 8.150 nan 0.000 0.444 325 V N -1.493 118.428 119.914 0.012 0.000 2.307 325 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 325 V C 2.298 178.455 176.094 0.105 0.000 1.045 325 V CA 1.969 64.296 62.300 0.045 0.000 1.024 325 V CB -1.069 30.806 31.823 0.087 0.000 0.651 325 V HN 0.711 nan 8.190 nan 0.000 0.449 326 Y N 2.030 122.338 120.300 0.013 0.000 2.081 326 Y HA -0.362 4.188 4.550 -0.000 0.000 0.280 326 Y C 2.553 178.455 175.900 0.002 0.000 1.163 326 Y CA 2.564 60.670 58.100 0.010 0.000 1.135 326 Y CB -0.455 38.003 38.460 -0.004 0.000 0.970 326 Y HN 0.395 nan 8.280 nan 0.000 0.498 327 N N 0.099 118.869 118.700 0.116 0.000 2.142 327 N HA -0.153 4.587 4.740 -0.000 0.000 0.186 327 N C 1.826 177.303 175.510 -0.055 0.000 1.023 327 N CA 1.691 54.751 53.050 0.016 0.000 0.852 327 N CB -0.591 37.957 38.487 0.102 0.000 0.998 327 N HN 0.464 nan 8.380 nan 0.000 0.424 328 A N 0.203 123.003 122.820 -0.033 0.000 1.930 328 A HA 0.120 4.440 4.320 -0.000 0.000 0.217 328 A C 2.325 179.872 177.584 -0.062 0.000 1.175 328 A CA 1.658 53.668 52.037 -0.045 0.000 0.627 328 A CB -1.164 17.811 19.000 -0.042 0.000 0.815 328 A HN 0.451 nan 8.150 nan 0.000 0.443 329 A N 0.543 123.321 122.820 -0.071 0.000 1.908 329 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 329 A C 1.969 179.473 177.584 -0.133 0.000 1.181 329 A CA 2.197 54.180 52.037 -0.090 0.000 0.627 329 A CB -0.794 18.160 19.000 -0.078 0.000 0.818 329 A HN 0.650 nan 8.150 nan 0.000 0.445 330 N N -0.453 118.126 118.700 -0.202 0.000 2.084 330 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 330 N C 1.664 177.112 175.510 -0.104 0.000 1.030 330 N CA 1.927 54.860 53.050 -0.196 0.000 0.849 330 N CB -0.278 38.045 38.487 -0.272 0.000 1.012 330 N HN 0.533 nan 8.380 nan 0.000 0.423 331 E N -0.123 120.030 120.200 -0.078 0.000 2.085 331 E HA -0.213 4.137 4.350 -0.000 0.000 0.194 331 E C 1.677 178.258 176.600 -0.032 0.000 0.994 331 E CA 1.205 57.580 56.400 -0.041 0.000 0.801 331 E CB -0.138 29.543 29.700 -0.033 0.000 0.743 331 E HN 0.388 nan 8.360 nan 0.000 0.453 332 E N -0.128 120.045 120.200 -0.045 0.000 2.047 332 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 332 E C 1.784 178.367 176.600 -0.028 0.000 0.987 332 E CA 1.460 57.837 56.400 -0.039 0.000 0.799 332 E CB -0.377 29.291 29.700 -0.053 0.000 0.752 332 E HN 0.262 nan 8.360 nan 0.000 0.449 333 A N 0.692 123.486 122.820 -0.044 0.000 1.898 333 A HA 0.003 4.323 4.320 -0.000 0.000 0.216 333 A C 2.413 180.006 177.584 0.016 0.000 1.181 333 A CA 1.981 53.999 52.037 -0.033 0.000 0.620 333 A CB -0.955 17.997 19.000 -0.078 0.000 0.819 333 A HN 0.369 nan 8.150 nan 0.000 0.442 334 A N -0.125 122.701 122.820 0.010 0.000 1.898 334 A HA 0.188 4.508 4.320 -0.000 0.000 0.216 334 A C 2.484 180.152 177.584 0.139 0.000 1.181 334 A CA 1.985 54.074 52.037 0.086 0.000 0.620 334 A CB -0.952 18.076 19.000 0.047 0.000 0.819 334 A HN 1.019 nan 8.150 nan 0.000 0.442 335 A N -0.179 122.679 122.820 0.064 0.000 1.930 335 A HA 0.207 4.526 4.320 -0.000 0.000 0.217 335 A C 2.474 180.078 177.584 0.032 0.000 1.175 335 A CA 1.893 53.954 52.037 0.040 0.000 0.627 335 A CB -0.930 18.076 19.000 0.011 0.000 0.815 335 A HN 1.014 nan 8.150 nan 0.000 0.443 336 A N -0.823 122.021 122.820 0.041 0.000 1.902 336 A HA -0.070 4.250 4.320 -0.000 0.000 0.217 336 A C 2.031 179.655 177.584 0.068 0.000 1.181 336 A CA 1.668 53.726 52.037 0.035 0.000 0.623 336 A CB -0.757 18.260 19.000 0.029 0.000 0.818 336 A HN 0.792 nan 8.150 nan 0.000 0.443 337 F N 0.714 120.663 119.950 -0.001 0.000 2.126 337 F HA -0.137 4.389 4.527 -0.000 0.000 0.299 337 F C 1.767 177.591 175.800 0.041 0.000 1.096 337 F CA 1.722 59.739 58.000 0.029 0.000 1.255 337 F CB -0.389 38.643 39.000 0.053 0.000 0.997 337 F HN 0.132 nan 8.300 nan 0.000 0.479 338 L N 0.022 121.109 121.223 -0.226 0.000 2.191 338 L HA -0.117 4.223 4.340 -0.000 0.000 0.212 338 L C 2.431 179.158 176.870 -0.238 0.000 1.103 338 L CA 1.006 55.663 54.840 -0.304 0.000 0.769 338 L CB -0.917 41.097 42.059 -0.075 0.000 0.908 338 L HN 0.300 nan 8.230 nan 0.000 0.438 339 A N -0.836 121.894 122.820 -0.150 0.000 2.275 339 A HA 0.373 4.693 4.320 -0.000 0.000 0.212 339 A C 1.726 179.246 177.584 -0.106 0.000 1.201 339 A CA 0.619 52.594 52.037 -0.103 0.000 0.843 339 A CB -0.186 18.781 19.000 -0.055 0.000 0.873 339 A HN 0.474 nan 8.150 nan 0.000 0.492 340 G N -0.352 108.355 108.800 -0.155 0.000 2.179 340 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.260 340 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.260 340 G C 1.072 175.952 174.900 -0.033 0.000 0.977 340 G CA 0.598 45.634 45.100 -0.106 0.000 0.641 340 G HN 0.529 nan 8.290 nan 0.000 0.533 341 R N -0.083 120.407 120.500 -0.018 0.000 2.193 341 R HA 0.310 4.649 4.340 -0.000 0.000 0.213 341 R C 1.565 177.885 176.300 0.034 0.000 1.055 341 R CA 1.454 57.557 56.100 0.006 0.000 0.995 341 R CB -0.040 30.259 30.300 -0.001 0.000 0.893 341 R HN 0.782 nan 8.270 nan 0.000 0.459 342 I N -4.513 116.105 120.570 0.079 0.000 3.074 342 I HA 0.593 4.762 4.170 -0.000 0.000 0.310 342 I C -0.011 176.243 176.117 0.228 0.000 1.153 342 I CA -1.418 59.950 61.300 0.113 0.000 0.993 342 I CB 1.804 39.855 38.000 0.086 0.000 1.237 342 I HN -0.169 nan 8.210 nan 0.000 0.443 343 G N 0.735 109.646 108.800 0.186 0.000 2.562 343 G HA2 0.249 4.209 3.960 -0.000 0.000 0.275 343 G HA3 0.249 4.209 3.960 -0.000 0.000 0.275 343 G C -0.097 174.911 174.900 0.179 0.000 1.196 343 G CA -0.422 44.828 45.100 0.250 0.000 0.908 343 G HN 0.766 nan 8.290 nan 0.000 0.524 344 F N 1.655 121.518 119.950 -0.144 0.000 2.095 344 F HA -0.003 4.524 4.527 -0.000 0.000 0.298 344 F C 0.005 175.587 175.800 -0.363 0.000 1.104 344 F CA 1.502 59.113 58.000 -0.649 0.000 1.232 344 F CB -0.520 38.054 39.000 -0.710 0.000 0.987 344 F HN 0.299 nan 8.300 nan 0.000 0.475 345 P HA -0.095 nan 4.420 nan 0.000 0.222 345 P C 1.196 178.348 177.300 -0.247 0.000 1.147 345 P CA 1.753 64.696 63.100 -0.261 0.000 0.790 345 P CB -0.348 31.276 31.700 -0.127 0.000 0.780 346 A N -1.064 121.645 122.820 -0.184 0.000 2.168 346 A HA -0.068 4.252 4.320 -0.000 0.000 0.215 346 A C 2.005 179.492 177.584 -0.161 0.000 1.152 346 A CA 0.650 52.610 52.037 -0.128 0.000 0.716 346 A CB -1.337 17.631 19.000 -0.053 0.000 0.794 346 A HN 0.124 nan 8.150 nan 0.000 0.465 347 I N -0.583 119.827 120.570 -0.267 0.000 2.113 347 I HA -0.223 3.947 4.170 -0.000 0.000 0.238 347 I C 2.247 178.231 176.117 -0.222 0.000 1.070 347 I CA 1.410 62.556 61.300 -0.257 0.000 1.332 347 I CB -0.421 37.343 38.000 -0.393 0.000 1.044 347 I HN 0.145 nan 8.210 nan 0.000 0.402 348 V N 1.028 120.790 119.914 -0.253 0.000 2.548 348 V HA -0.135 3.985 4.120 -0.000 0.000 0.249 348 V C 2.540 178.564 176.094 -0.116 0.000 1.055 348 V CA 1.844 64.041 62.300 -0.171 0.000 1.065 348 V CB -1.345 30.390 31.823 -0.146 0.000 0.681 348 V HN 0.591 nan 8.190 nan 0.000 0.462 349 G N 0.272 108.998 108.800 -0.123 0.000 2.446 349 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.217 349 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.217 349 G C 1.583 176.444 174.900 -0.065 0.000 1.168 349 G CA 1.079 46.129 45.100 -0.084 0.000 0.771 349 G HN 0.489 nan 8.290 nan 0.000 0.551 350 I N 0.556 121.079 120.570 -0.077 0.000 2.252 350 I HA -0.110 4.060 4.170 -0.000 0.000 0.245 350 I C 2.643 178.728 176.117 -0.054 0.000 1.102 350 I CA 0.642 61.905 61.300 -0.061 0.000 1.385 350 I CB -0.169 37.790 38.000 -0.067 0.000 1.064 350 I HN 0.151 nan 8.210 nan 0.000 0.414 351 I N 0.797 121.316 120.570 -0.085 0.000 2.194 351 I HA -0.343 3.827 4.170 -0.000 0.000 0.246 351 I C 2.768 178.888 176.117 0.006 0.000 1.093 351 I CA 1.560 62.808 61.300 -0.087 0.000 1.355 351 I CB -0.550 37.330 38.000 -0.199 0.000 1.046 351 I HN 0.207 nan 8.210 nan 0.000 0.413 352 A N 0.433 123.262 122.820 0.014 0.000 1.898 352 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 352 A C 1.951 179.585 177.584 0.083 0.000 1.181 352 A CA 1.986 54.058 52.037 0.057 0.000 0.620 352 A CB -0.558 18.458 19.000 0.027 0.000 0.819 352 A HN 0.344 nan 8.150 nan 0.000 0.442 353 D N -0.182 120.246 120.400 0.046 0.000 2.117 353 D HA -0.105 4.535 4.640 -0.000 0.000 0.197 353 D C 2.074 178.450 176.300 0.127 0.000 0.987 353 D CA 1.458 55.496 54.000 0.064 0.000 0.829 353 D CB -0.501 40.307 40.800 0.013 0.000 0.961 353 D HN 0.218 nan 8.370 nan 0.000 0.460 354 V N 1.041 121.015 119.914 0.100 0.000 2.295 354 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 354 V C 2.677 178.944 176.094 0.289 0.000 1.049 354 V CA 1.049 63.442 62.300 0.155 0.000 1.024 354 V CB -0.456 31.416 31.823 0.081 0.000 0.648 354 V HN 0.202 nan 8.190 nan 0.000 0.447 355 L N -0.416 120.941 121.223 0.223 0.000 2.042 355 L HA -0.258 4.082 4.340 -0.000 0.000 0.210 355 L C 2.606 179.597 176.870 0.202 0.000 1.076 355 L CA 2.198 57.168 54.840 0.217 0.000 0.749 355 L CB -0.723 41.443 42.059 0.179 0.000 0.893 355 L HN 0.492 nan 8.230 nan 0.000 0.432 356 H N -0.222 118.920 119.070 0.119 0.000 2.457 356 H HA -0.123 4.433 4.556 -0.000 0.000 0.297 356 H C 1.799 177.198 175.328 0.119 0.000 1.092 356 H CA 1.406 57.509 56.048 0.092 0.000 1.309 356 H CB 0.211 30.012 29.762 0.065 0.000 1.382 356 H HN 0.316 nan 8.280 nan 0.000 0.535 357 A N -0.583 122.367 122.820 0.217 0.000 2.345 357 A HA 0.516 4.836 4.320 -0.000 0.000 0.225 357 A C 1.768 179.524 177.584 0.287 0.000 1.243 357 A CA 0.422 52.612 52.037 0.256 0.000 0.875 357 A CB -0.276 18.953 19.000 0.383 0.000 0.929 357 A HN 0.492 nan 8.150 nan 0.000 0.502 358 A N -0.633 122.284 122.820 0.163 0.000 2.465 358 A HA 0.259 4.579 4.320 -0.000 0.000 0.255 358 A C 0.877 178.377 177.584 -0.141 0.000 1.274 358 A CA 0.283 52.300 52.037 -0.033 0.000 0.920 358 A CB -0.156 18.947 19.000 0.172 0.000 1.033 358 A HN 0.241 nan 8.150 nan 0.000 0.516 359 D N 0.917 121.229 120.400 -0.146 0.000 2.265 359 D HA -0.228 4.412 4.640 -0.000 0.000 0.208 359 D C 2.227 178.379 176.300 -0.245 0.000 0.977 359 D CA 1.605 55.511 54.000 -0.157 0.000 0.871 359 D CB -0.136 40.579 40.800 -0.142 0.000 0.925 359 D HN 0.861 nan 8.370 nan 0.000 0.485 360 Q N -0.591 118.955 119.800 -0.423 0.000 2.291 360 Q HA -0.170 4.170 4.340 -0.000 0.000 0.206 360 Q C 1.194 176.756 176.000 -0.730 0.000 0.976 360 Q CA 0.976 56.402 55.803 -0.627 0.000 0.875 360 Q CB -0.654 27.560 28.738 -0.873 0.000 0.927 360 Q HN 0.420 nan 8.270 nan 0.000 0.450 361 W N 0.105 121.222 121.300 -0.306 0.000 3.353 361 W HA 0.446 5.105 4.660 -0.000 0.000 0.304 361 W C 1.785 178.217 176.519 -0.145 0.000 1.273 361 W CA -0.094 57.107 57.345 -0.239 0.000 1.773 361 W CB 0.402 29.691 29.460 -0.285 0.000 1.095 361 W HN 0.235 nan 8.180 nan 0.000 0.676 362 A N -0.042 122.776 122.820 -0.005 0.000 2.167 362 A HA 0.085 4.405 4.320 -0.000 0.000 0.214 362 A C 0.909 178.491 177.584 -0.004 0.000 1.151 362 A CA 0.341 52.377 52.037 -0.002 0.000 0.735 362 A CB -0.512 18.465 19.000 -0.038 0.000 0.802 362 A HN -0.035 nan 8.150 nan 0.000 0.467 363 V N 2.056 121.957 119.914 -0.022 0.000 2.763 363 V HA 0.017 4.137 4.120 -0.000 0.000 0.306 363 V C 0.341 176.454 176.094 0.031 0.000 1.059 363 V CA -0.447 61.844 62.300 -0.015 0.000 1.138 363 V CB 0.441 32.233 31.823 -0.051 0.000 0.940 363 V HN 0.448 nan 8.190 nan 0.000 0.489 364 E N 5.399 125.612 120.200 0.021 0.000 2.392 364 E HA 0.190 4.540 4.350 -0.000 0.000 0.264 364 E C -2.203 174.420 176.600 0.039 0.000 1.024 364 E CA -1.522 54.896 56.400 0.030 0.000 0.903 364 E CB 0.323 30.034 29.700 0.017 0.000 0.963 364 E HN 0.489 nan 8.360 nan 0.000 0.432 365 P HA 0.137 nan 4.420 nan 0.000 0.281 365 P C -0.278 177.039 177.300 0.027 0.000 1.252 365 P CA -0.104 63.024 63.100 0.046 0.000 0.778 365 P CB 1.290 33.014 31.700 0.039 0.000 0.895 366 A N 3.412 126.248 122.820 0.027 0.000 1.984 366 A HA 0.153 4.473 4.320 -0.000 0.000 0.214 366 A C 1.088 178.680 177.584 0.013 0.000 1.173 366 A CA 1.471 53.518 52.037 0.016 0.000 0.673 366 A CB -0.525 18.484 19.000 0.015 0.000 0.830 366 A HN 0.654 nan 8.150 nan 0.000 0.453 367 T N -5.862 108.702 114.554 0.017 0.000 2.865 367 T HA 0.447 4.797 4.350 -0.000 0.000 0.294 367 T C 0.760 175.465 174.700 0.009 0.000 1.119 367 T CA 0.105 62.212 62.100 0.011 0.000 1.007 367 T CB 1.185 70.061 68.868 0.014 0.000 1.225 367 T HN 0.007 nan 8.240 nan 0.000 0.515 368 V N 1.191 121.107 119.914 0.002 0.000 2.392 368 V HA -0.149 3.971 4.120 -0.000 0.000 0.249 368 V C 2.366 178.459 176.094 -0.002 0.000 1.059 368 V CA 2.242 64.539 62.300 -0.004 0.000 1.051 368 V CB -0.761 31.057 31.823 -0.008 0.000 0.658 368 V HN 0.889 nan 8.190 nan 0.000 0.455 369 D N -0.166 120.238 120.400 0.008 0.000 2.178 369 D HA -0.158 4.481 4.640 -0.000 0.000 0.201 369 D C 1.870 178.186 176.300 0.027 0.000 0.980 369 D CA 1.281 55.291 54.000 0.016 0.000 0.842 369 D CB -0.235 40.579 40.800 0.023 0.000 0.948 369 D HN 0.458 nan 8.370 nan 0.000 0.472 370 D N 0.192 120.617 120.400 0.041 0.000 2.117 370 D HA -0.101 4.538 4.640 -0.000 0.000 0.197 370 D C 2.332 178.639 176.300 0.011 0.000 0.987 370 D CA 0.418 54.465 54.000 0.078 0.000 0.829 370 D CB -0.213 40.643 40.800 0.093 0.000 0.961 370 D HN 0.093 nan 8.370 nan 0.000 0.460 371 V N 1.117 121.018 119.914 -0.020 0.000 2.343 371 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 371 V C 2.648 178.673 176.094 -0.115 0.000 1.051 371 V CA 1.148 63.407 62.300 -0.068 0.000 1.036 371 V CB -0.488 31.311 31.823 -0.039 0.000 0.654 371 V HN 0.177 nan 8.190 nan 0.000 0.451 372 L N -0.253 120.926 121.223 -0.074 0.000 2.056 372 L HA -0.160 4.180 4.340 -0.000 0.000 0.207 372 L C 2.382 179.191 176.870 -0.100 0.000 1.078 372 L CA 1.466 56.263 54.840 -0.071 0.000 0.749 372 L CB -0.790 41.249 42.059 -0.032 0.000 0.901 372 L HN 0.313 nan 8.230 nan 0.000 0.433 373 D N 0.451 120.796 120.400 -0.092 0.000 2.104 373 D HA -0.185 4.455 4.640 -0.000 0.000 0.194 373 D C 2.264 178.305 176.300 -0.432 0.000 0.994 373 D CA 1.589 55.535 54.000 -0.089 0.000 0.830 373 D CB -0.185 40.676 40.800 0.101 0.000 0.959 373 D HN 0.307 nan 8.370 nan 0.000 0.452 374 A N 0.784 123.073 122.820 -0.885 0.000 1.883 374 A HA -0.280 4.040 4.320 -0.000 0.000 0.217 374 A C 2.149 179.346 177.584 -0.644 0.000 1.186 374 A CA 1.864 53.005 52.037 -1.495 0.000 0.624 374 A CB -0.773 17.577 19.000 -1.083 0.000 0.822 374 A HN 0.251 nan 8.150 nan 0.000 0.444 375 Q N -1.196 118.404 119.800 -0.334 0.000 2.084 375 Q HA -0.179 4.161 4.340 -0.000 0.000 0.202 375 Q C 2.400 178.346 176.000 -0.090 0.000 0.978 375 Q CA 1.602 57.311 55.803 -0.157 0.000 0.844 375 Q CB -0.187 28.487 28.738 -0.106 0.000 0.898 375 Q HN 0.667 nan 8.270 nan 0.000 0.426 376 R N -0.159 120.295 120.500 -0.078 0.000 2.083 376 R HA -0.214 4.126 4.340 -0.000 0.000 0.237 376 R C 1.925 178.250 176.300 0.042 0.000 1.137 376 R CA 1.866 57.958 56.100 -0.013 0.000 0.951 376 R CB -0.370 29.937 30.300 0.013 0.000 0.851 376 R HN 0.403 nan 8.270 nan 0.000 0.434 377 W N 0.595 121.818 121.300 -0.128 0.000 2.335 377 W HA -0.207 4.453 4.660 -0.000 0.000 0.311 377 W C 2.068 178.565 176.519 -0.037 0.000 1.213 377 W CA 2.096 59.431 57.345 -0.016 0.000 1.274 377 W CB -0.333 29.196 29.460 0.115 0.000 1.148 377 W HN 0.218 nan 8.180 nan 0.000 0.498 378 A N 0.606 123.565 122.820 0.232 0.000 1.902 378 A HA -0.187 4.132 4.320 -0.000 0.000 0.217 378 A C 2.031 179.566 177.584 -0.082 0.000 1.181 378 A CA 1.788 53.889 52.037 0.107 0.000 0.623 378 A CB -0.788 18.279 19.000 0.110 0.000 0.818 378 A HN 0.392 nan 8.150 nan 0.000 0.443 379 R N -0.870 119.586 120.500 -0.074 0.000 2.073 379 R HA -0.119 4.221 4.340 -0.000 0.000 0.234 379 R C 2.310 178.535 176.300 -0.126 0.000 1.134 379 R CA 1.313 57.362 56.100 -0.086 0.000 0.952 379 R CB -0.309 29.954 30.300 -0.061 0.000 0.850 379 R HN 0.610 nan 8.270 nan 0.000 0.433 380 E N 0.871 120.975 120.200 -0.160 0.000 2.077 380 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 380 E C 1.969 178.412 176.600 -0.262 0.000 0.989 380 E CA 1.229 57.517 56.400 -0.188 0.000 0.800 380 E CB 0.065 29.653 29.700 -0.186 0.000 0.746 380 E HN 0.014 nan 8.360 nan 0.000 0.452 381 R N 0.454 120.699 120.500 -0.425 0.000 2.081 381 R HA -0.060 4.280 4.340 -0.000 0.000 0.235 381 R C 2.197 178.353 176.300 -0.241 0.000 1.131 381 R CA 1.726 57.550 56.100 -0.460 0.000 0.960 381 R CB -0.687 29.119 30.300 -0.824 0.000 0.856 381 R HN 0.175 nan 8.270 nan 0.000 0.436 382 A N -0.032 122.679 122.820 -0.182 0.000 1.930 382 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 382 A C 2.041 179.569 177.584 -0.093 0.000 1.175 382 A CA 1.436 53.406 52.037 -0.112 0.000 0.627 382 A CB -0.425 18.520 19.000 -0.090 0.000 0.815 382 A HN 0.491 nan 8.150 nan 0.000 0.443 383 Q N -0.700 119.039 119.800 -0.101 0.000 2.084 383 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 383 Q C 2.339 178.296 176.000 -0.073 0.000 0.978 383 Q CA 1.288 57.044 55.803 -0.077 0.000 0.844 383 Q CB -0.156 28.537 28.738 -0.075 0.000 0.898 383 Q HN 0.517 nan 8.270 nan 0.000 0.426 384 R N 0.076 120.519 120.500 -0.094 0.000 2.096 384 R HA -0.070 4.270 4.340 -0.000 0.000 0.235 384 R C 2.167 178.430 176.300 -0.063 0.000 1.127 384 R CA 1.222 57.274 56.100 -0.079 0.000 0.968 384 R CB -0.484 29.756 30.300 -0.100 0.000 0.861 384 R HN 0.231 nan 8.270 nan 0.000 0.440 385 A N 0.760 123.538 122.820 -0.069 0.000 1.930 385 A HA -0.081 4.238 4.320 -0.000 0.000 0.217 385 A C 2.438 179.998 177.584 -0.040 0.000 1.175 385 A CA 1.231 53.237 52.037 -0.052 0.000 0.627 385 A CB -0.410 18.557 19.000 -0.054 0.000 0.815 385 A HN 0.095 nan 8.150 nan 0.000 0.443 386 V N 0.762 120.651 119.914 -0.041 0.000 2.358 386 V HA -0.198 3.921 4.120 -0.000 0.000 0.246 386 V C 2.965 179.046 176.094 -0.023 0.000 1.047 386 V CA 2.335 64.619 62.300 -0.027 0.000 1.035 386 V CB -0.659 31.149 31.823 -0.025 0.000 0.658 386 V HN 0.803 nan 8.190 nan 0.000 0.452 387 S N -0.350 115.333 115.700 -0.029 0.000 2.446 387 S HA 0.196 4.666 4.470 -0.000 0.000 0.225 387 S C 1.727 176.314 174.600 -0.021 0.000 1.016 387 S CA 1.064 59.250 58.200 -0.024 0.000 0.943 387 S CB 0.550 63.733 63.200 -0.028 0.000 0.786 387 S HN 1.173 nan 8.310 nan 0.000 0.508 388 G N 0.811 109.597 108.800 -0.024 0.000 2.179 388 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.220 388 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.220 388 G C 0.079 174.966 174.900 -0.022 0.000 0.990 388 G CA 0.182 45.270 45.100 -0.021 0.000 0.646 388 G HN 0.471 nan 8.290 nan 0.000 0.517 389 M N 0.000 119.584 119.600 -0.027 0.000 2.572 389 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 389 M CA 0.000 55.283 55.300 -0.028 0.000 0.988 389 M CB 0.000 32.583 32.600 -0.029 0.000 1.302 389 M HN 0.000 nan 8.290 nan 0.000 0.411