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 2jgv_1_C DATA FIRST_RESID 0 DATA SEQUENCE HXILTLTLNP SVDISYPLTA LKLDDVNRVQ EVSKTAGGKG LNVTRVLAQV DATA SEQUENCE GEPVLASGFI GGELGQFIAK KLDHADIKHA FYNIKGETRN CIAILHEGQQ DATA SEQUENCE TEILEQGPEI DNQEAAGFIK HFEQLLEKVE AVAISGSLPK GLNQDYYAQI DATA SEQUENCE IERCQNKGVP VILDCSGATL QTVLENPYKP TVIKPNISEL YQLLNQPLDE DATA SEQUENCE SLESLKQAVS QPLFEGIEWI IVSLGAQGAF AKHNHTFYRV NIPTISVLNP DATA SEQUENCE VGSGDSTVAG ITSAILNHEN DHDLLKKANT LGXLNAQEAQ TGYVNLNNYD DATA SEQUENCE DLFNQIEVLE V 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 0 H HA 0.000 nan 4.556 nan 0.000 0.296 0 H C 0.000 175.303 175.328 -0.041 0.000 0.993 0 H CA 0.000 56.030 56.048 -0.029 0.000 1.023 0 H CB 0.000 29.750 29.762 -0.019 0.000 1.292 3 L N 5.651 126.846 121.223 -0.046 0.000 2.287 3 L HA 0.737 5.077 4.340 -0.000 0.000 0.287 3 L C 0.043 176.931 176.870 0.031 0.000 1.022 3 L CA 0.249 55.084 54.840 -0.008 0.000 0.814 3 L CB 1.534 43.596 42.059 0.006 0.000 1.217 3 L HN 0.702 nan 8.230 nan 0.000 0.420 4 T N 3.531 118.108 114.554 0.037 0.000 2.867 4 T HA 0.657 5.007 4.350 -0.000 0.000 0.282 4 T C -0.261 174.508 174.700 0.115 0.000 1.000 4 T CA -0.740 61.396 62.100 0.060 0.000 1.042 4 T CB 0.996 69.893 68.868 0.048 0.000 0.973 4 T HN 0.514 nan 8.240 nan 0.000 0.465 5 L N 2.819 124.117 121.223 0.125 0.000 2.313 5 L HA 0.512 4.852 4.340 -0.000 0.000 0.283 5 L C -0.178 176.786 176.870 0.156 0.000 1.013 5 L CA -0.812 54.131 54.840 0.172 0.000 0.816 5 L CB 2.149 44.310 42.059 0.171 0.000 1.236 5 L HN 0.842 nan 8.230 nan 0.000 0.419 6 T N 4.058 118.731 114.554 0.197 0.000 3.150 6 T HA 0.311 4.661 4.350 -0.000 0.000 0.383 6 T C 1.301 176.099 174.700 0.164 0.000 1.313 6 T CA -0.455 61.752 62.100 0.179 0.000 1.235 6 T CB 0.721 69.707 68.868 0.197 0.000 1.088 6 T HN 0.422 nan 8.240 nan 0.000 0.556 7 L N 1.116 122.431 121.223 0.153 0.000 2.201 7 L HA 0.091 4.431 4.340 -0.000 0.000 0.212 7 L C 1.128 178.108 176.870 0.183 0.000 1.105 7 L CA 0.895 55.830 54.840 0.158 0.000 0.775 7 L CB -0.058 42.104 42.059 0.172 0.000 0.913 7 L HN 0.406 nan 8.230 nan 0.000 0.440 8 N N 0.069 118.836 118.700 0.113 0.000 2.841 8 N HA 0.233 4.973 4.740 -0.000 0.000 0.257 8 N C -2.412 173.122 175.510 0.041 0.000 1.396 8 N CA -1.678 51.406 53.050 0.057 0.000 0.823 8 N CB 0.886 39.387 38.487 0.024 0.000 1.162 8 N HN -0.049 nan 8.380 nan 0.000 0.503 9 P HA 0.335 nan 4.420 nan 0.000 0.279 9 P C -0.782 176.509 177.300 -0.015 0.000 1.282 9 P CA -0.267 62.834 63.100 0.002 0.000 0.788 9 P CB 0.862 32.527 31.700 -0.058 0.000 1.139 10 S N -2.303 113.389 115.700 -0.012 0.000 2.550 10 S HA 0.368 4.838 4.470 -0.000 0.000 0.270 10 S C -0.859 173.740 174.600 -0.002 0.000 1.145 10 S CA -0.836 57.355 58.200 -0.015 0.000 0.852 10 S CB 0.799 63.994 63.200 -0.009 0.000 1.119 10 S HN 0.124 nan 8.310 nan 0.000 0.465 11 V N 2.712 122.616 119.914 -0.017 0.000 2.356 11 V HA 0.294 4.414 4.120 -0.000 0.000 0.258 11 V C -0.656 175.409 176.094 -0.049 0.000 1.065 11 V CA -0.274 62.016 62.300 -0.016 0.000 0.935 11 V CB 0.004 31.759 31.823 -0.113 0.000 1.061 11 V HN 0.809 nan 8.190 nan 0.000 0.484 12 D N 5.282 125.672 120.400 -0.017 0.000 2.277 12 D HA 0.464 5.104 4.640 -0.000 0.000 0.249 12 D C -0.080 176.164 176.300 -0.092 0.000 1.134 12 D CA 0.077 54.052 54.000 -0.042 0.000 0.863 12 D CB 1.721 42.512 40.800 -0.015 0.000 1.143 12 D HN 0.358 nan 8.370 nan 0.000 0.458 13 I N 1.046 121.522 120.570 -0.156 0.000 2.378 13 I HA 0.187 4.357 4.170 -0.000 0.000 0.291 13 I C 0.311 176.197 176.117 -0.386 0.000 0.992 13 I CA -0.663 60.453 61.300 -0.308 0.000 1.154 13 I CB 1.721 39.473 38.000 -0.412 0.000 1.315 13 I HN 0.102 nan 8.210 nan 0.000 0.448 14 S N 6.067 121.536 115.700 -0.386 0.000 2.433 14 S HA 0.517 4.987 4.470 -0.000 0.000 0.310 14 S C -1.084 173.305 174.600 -0.351 0.000 1.097 14 S CA -0.351 57.685 58.200 -0.274 0.000 1.103 14 S CB 0.306 63.437 63.200 -0.115 0.000 0.992 14 S HN 0.394 nan 8.310 nan 0.000 0.469 15 Y N 5.728 126.036 120.300 0.012 0.000 2.478 15 Y HA 0.367 4.916 4.550 -0.000 0.000 0.329 15 Y C -2.111 173.804 175.900 0.024 0.000 0.967 15 Y CA -2.318 55.787 58.100 0.010 0.000 1.255 15 Y CB 1.436 39.893 38.460 -0.004 0.000 1.103 15 Y HN 0.526 nan 8.280 nan 0.000 0.497 16 P HA 0.259 nan 4.420 nan 0.000 0.287 16 P C -0.862 176.504 177.300 0.109 0.000 1.294 16 P CA 0.014 63.181 63.100 0.111 0.000 0.776 16 P CB 1.281 33.022 31.700 0.068 0.000 0.889 17 L N 2.454 123.743 121.223 0.110 0.000 2.381 17 L HA 0.368 4.708 4.340 -0.000 0.000 0.268 17 L C 1.615 178.534 176.870 0.082 0.000 0.997 17 L CA -0.591 54.298 54.840 0.082 0.000 0.818 17 L CB 1.892 43.989 42.059 0.062 0.000 1.310 17 L HN 0.176 nan 8.230 nan 0.000 0.416 18 T N 1.185 115.772 114.554 0.054 0.000 2.708 18 T HA -0.024 4.325 4.350 -0.000 0.000 0.266 18 T C 0.451 175.187 174.700 0.060 0.000 1.037 18 T CA 1.622 63.750 62.100 0.047 0.000 1.146 18 T CB 0.043 68.929 68.868 0.030 0.000 0.865 18 T HN 0.662 nan 8.240 nan 0.000 0.435 19 A N 0.446 123.300 122.820 0.055 0.000 2.488 19 A HA 0.652 4.971 4.320 -0.000 0.000 0.298 19 A C -1.386 176.214 177.584 0.027 0.000 1.044 19 A CA -0.816 51.259 52.037 0.064 0.000 0.693 19 A CB 1.137 20.160 19.000 0.038 0.000 1.272 19 A HN 0.242 nan 8.150 nan 0.000 0.402 20 L N 2.209 123.439 121.223 0.012 0.000 2.342 20 L HA 0.366 4.706 4.340 -0.000 0.000 0.285 20 L C -0.062 176.764 176.870 -0.074 0.000 1.095 20 L CA 0.261 55.023 54.840 -0.129 0.000 0.843 20 L CB -0.153 41.636 42.059 -0.449 0.000 1.201 20 L HN 0.544 nan 8.230 nan 0.000 0.445 21 K N 6.729 127.090 120.400 -0.064 0.000 2.273 21 K HA 0.331 4.651 4.320 -0.000 0.000 0.287 21 K C -0.647 175.920 176.600 -0.056 0.000 1.089 21 K CA -0.353 55.907 56.287 -0.044 0.000 0.909 21 K CB 0.563 33.042 32.500 -0.036 0.000 1.123 21 K HN 0.595 nan 8.250 nan 0.000 0.473 22 L N 2.582 123.778 121.223 -0.045 0.000 2.426 22 L HA 0.009 4.348 4.340 -0.000 0.000 0.271 22 L C 0.703 177.551 176.870 -0.037 0.000 1.169 22 L CA 0.083 54.896 54.840 -0.045 0.000 0.836 22 L CB 0.138 42.178 42.059 -0.031 0.000 1.112 22 L HN 0.773 nan 8.230 nan 0.000 0.465 23 D N 0.755 121.131 120.400 -0.039 0.000 2.772 23 D HA -0.206 4.434 4.640 -0.000 0.000 0.233 23 D C -0.573 175.707 176.300 -0.034 0.000 1.143 23 D CA 1.043 55.023 54.000 -0.033 0.000 0.700 23 D CB -0.433 40.352 40.800 -0.024 0.000 1.076 23 D HN 0.713 nan 8.370 nan 0.000 0.430 24 D N -1.967 118.407 120.400 -0.042 0.000 2.626 24 D HA 0.462 5.102 4.640 -0.000 0.000 0.278 24 D C -0.916 175.352 176.300 -0.053 0.000 1.211 24 D CA -0.517 53.458 54.000 -0.041 0.000 0.903 24 D CB 1.735 42.513 40.800 -0.036 0.000 1.408 24 D HN -0.122 nan 8.370 nan 0.000 0.454 25 V N 2.170 122.054 119.914 -0.050 0.000 2.432 25 V HA 0.428 4.548 4.120 -0.000 0.000 0.275 25 V C -0.373 175.682 176.094 -0.066 0.000 1.043 25 V CA -0.488 61.776 62.300 -0.060 0.000 0.925 25 V CB 0.885 32.679 31.823 -0.049 0.000 0.985 25 V HN 0.382 nan 8.190 nan 0.000 0.466 26 N N 4.391 123.037 118.700 -0.090 0.000 2.446 26 N HA 0.487 5.227 4.740 -0.000 0.000 0.265 26 N C -0.607 174.843 175.510 -0.099 0.000 0.975 26 N CA -0.636 52.358 53.050 -0.093 0.000 0.928 26 N CB 1.355 39.769 38.487 -0.121 0.000 1.160 26 N HN 0.526 nan 8.380 nan 0.000 0.495 27 R N 0.993 121.455 120.500 -0.064 0.000 2.349 27 R HA 0.609 4.949 4.340 -0.000 0.000 0.299 27 R C -0.438 175.842 176.300 -0.034 0.000 1.027 27 R CA -0.885 55.185 56.100 -0.050 0.000 0.958 27 R CB 1.060 31.342 30.300 -0.030 0.000 1.047 27 R HN 0.384 nan 8.270 nan 0.000 0.468 28 V N -0.470 119.432 119.914 -0.020 0.000 2.876 28 V HA 0.366 4.486 4.120 -0.000 0.000 0.312 28 V C 0.034 176.155 176.094 0.044 0.000 1.085 28 V CA -0.916 61.400 62.300 0.027 0.000 0.945 28 V CB 2.118 33.987 31.823 0.076 0.000 1.017 28 V HN 0.759 nan 8.190 nan 0.000 0.428 29 Q N 0.935 120.765 119.800 0.049 0.000 2.790 29 Q HA 0.360 4.699 4.340 -0.000 0.000 0.390 29 Q C 0.106 176.138 176.000 0.053 0.000 1.110 29 Q CA -0.273 55.555 55.803 0.042 0.000 0.493 29 Q CB 0.190 28.947 28.738 0.030 0.000 4.965 29 Q HN 0.850 nan 8.270 nan 0.000 0.328 30 E N 1.518 121.744 120.200 0.044 0.000 2.338 30 E HA 0.183 4.533 4.350 -0.000 0.000 0.272 30 E C -0.870 175.759 176.600 0.049 0.000 1.029 30 E CA -0.159 56.266 56.400 0.042 0.000 0.872 30 E CB 1.238 30.956 29.700 0.030 0.000 1.015 30 E HN 0.184 nan 8.360 nan 0.000 0.417 31 V N 0.182 120.120 119.914 0.040 0.000 3.074 31 V HA 0.612 4.732 4.120 -0.000 0.000 0.314 31 V C -0.543 175.534 176.094 -0.028 0.000 1.117 31 V CA -0.816 61.487 62.300 0.006 0.000 1.014 31 V CB 2.082 33.907 31.823 0.003 0.000 1.057 31 V HN 0.513 nan 8.190 nan 0.000 0.438 32 S N 1.966 117.622 115.700 -0.073 0.000 2.433 32 S HA 0.605 5.075 4.470 -0.000 0.000 0.310 32 S C -0.573 173.988 174.600 -0.065 0.000 1.097 32 S CA -0.691 57.484 58.200 -0.042 0.000 1.103 32 S CB 0.350 63.529 63.200 -0.035 0.000 0.992 32 S HN 0.834 nan 8.310 nan 0.000 0.469 33 K N 3.058 123.467 120.400 0.016 0.000 2.413 33 K HA 0.520 4.840 4.320 -0.000 0.000 0.257 33 K C -0.714 176.020 176.600 0.224 0.000 0.946 33 K CA -0.671 55.643 56.287 0.045 0.000 0.823 33 K CB 1.987 34.472 32.500 -0.024 0.000 1.109 33 K HN 0.564 nan 8.250 nan 0.000 0.427 34 T N 0.249 114.912 114.554 0.183 0.000 2.896 34 T HA 0.537 4.887 4.350 -0.000 0.000 0.297 34 T C -1.376 173.429 174.700 0.176 0.000 1.108 34 T CA -0.595 61.608 62.100 0.172 0.000 1.004 34 T CB 1.401 70.312 68.868 0.073 0.000 1.159 34 T HN 0.579 nan 8.240 nan 0.000 0.499 35 A N 2.064 124.946 122.820 0.104 0.000 2.410 35 A HA 0.638 4.958 4.320 -0.000 0.000 0.292 35 A C 0.716 178.332 177.584 0.054 0.000 1.232 35 A CA 0.096 52.173 52.037 0.067 0.000 0.893 35 A CB -0.674 18.327 19.000 0.002 0.000 1.131 35 A HN 0.990 nan 8.150 nan 0.000 0.530 36 G N 0.567 109.395 108.800 0.047 0.000 2.552 36 G HA2 0.812 4.772 3.960 -0.000 0.000 0.324 36 G HA3 0.812 4.772 3.960 -0.000 0.000 0.324 36 G C 0.089 175.013 174.900 0.040 0.000 1.217 36 G CA -0.423 44.701 45.100 0.040 0.000 0.989 36 G HN 2.002 nan 8.290 nan 0.000 0.490 37 G N -0.958 107.869 108.800 0.044 0.000 2.627 37 G HA2 -0.029 3.931 3.960 -0.000 0.000 0.680 37 G HA3 -0.029 3.931 3.960 -0.000 0.000 0.680 37 G C 0.408 175.344 174.900 0.060 0.000 1.341 37 G CA 0.003 45.135 45.100 0.053 0.000 0.835 37 G HN 0.695 nan 8.290 nan 0.000 0.643 38 K N 0.606 121.041 120.400 0.059 0.000 2.044 38 K HA -0.128 4.192 4.320 -0.000 0.000 0.210 38 K C 2.749 179.384 176.600 0.058 0.000 1.049 38 K CA 1.915 58.234 56.287 0.054 0.000 0.927 38 K CB -0.186 32.345 32.500 0.051 0.000 0.713 38 K HN 0.757 nan 8.250 nan 0.000 0.443 39 G N 1.364 110.208 108.800 0.073 0.000 2.450 39 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.220 39 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.220 39 G C 1.444 176.397 174.900 0.088 0.000 1.130 39 G CA 0.568 45.716 45.100 0.080 0.000 0.760 39 G HN 0.109 nan 8.290 nan 0.000 0.557 40 L N 0.168 121.450 121.223 0.098 0.000 2.240 40 L HA 0.026 4.366 4.340 -0.000 0.000 0.211 40 L C 2.543 179.457 176.870 0.073 0.000 1.106 40 L CA 0.280 55.180 54.840 0.101 0.000 0.793 40 L CB -0.342 41.784 42.059 0.112 0.000 0.927 40 L HN 0.100 nan 8.230 nan 0.000 0.446 41 N N 0.159 118.897 118.700 0.063 0.000 2.084 41 N HA -0.142 4.597 4.740 -0.000 0.000 0.190 41 N C 1.951 177.486 175.510 0.043 0.000 1.030 41 N CA 1.180 54.263 53.050 0.055 0.000 0.849 41 N CB -0.530 37.988 38.487 0.051 0.000 1.012 41 N HN 0.048 nan 8.380 nan 0.000 0.423 42 V N 1.341 121.276 119.914 0.036 0.000 2.282 42 V HA -0.266 3.854 4.120 -0.000 0.000 0.249 42 V C 2.219 178.322 176.094 0.016 0.000 1.057 42 V CA 2.073 64.383 62.300 0.018 0.000 1.032 42 V CB -1.167 30.664 31.823 0.013 0.000 0.645 42 V HN 0.375 nan 8.190 nan 0.000 0.447 43 T N -0.416 114.157 114.554 0.031 0.000 2.684 43 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 43 T C 2.057 176.771 174.700 0.024 0.000 1.036 43 T CA 1.801 63.918 62.100 0.028 0.000 1.148 43 T CB -0.289 68.609 68.868 0.051 0.000 0.863 43 T HN 0.422 nan 8.240 nan 0.000 0.436 44 R N 0.224 120.746 120.500 0.038 0.000 2.075 44 R HA -0.016 4.324 4.340 -0.000 0.000 0.232 44 R C 2.567 178.879 176.300 0.020 0.000 1.126 44 R CA 0.899 57.023 56.100 0.041 0.000 0.963 44 R CB -0.646 29.694 30.300 0.066 0.000 0.858 44 R HN 0.242 nan 8.270 nan 0.000 0.435 45 V N 1.582 121.501 119.914 0.009 0.000 2.295 45 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 45 V C 2.316 178.386 176.094 -0.039 0.000 1.049 45 V CA 1.689 63.975 62.300 -0.022 0.000 1.024 45 V CB -0.446 31.367 31.823 -0.017 0.000 0.648 45 V HN 0.291 nan 8.190 nan 0.000 0.447 46 L N 0.073 121.278 121.223 -0.031 0.000 2.042 46 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 46 L C 2.724 179.568 176.870 -0.044 0.000 1.076 46 L CA 1.649 56.462 54.840 -0.044 0.000 0.749 46 L CB -0.792 41.241 42.059 -0.042 0.000 0.893 46 L HN 0.379 nan 8.230 nan 0.000 0.432 47 A N -0.608 122.197 122.820 -0.026 0.000 1.877 47 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 47 A C 2.229 179.794 177.584 -0.031 0.000 1.186 47 A CA 1.530 53.556 52.037 -0.020 0.000 0.620 47 A CB -0.462 18.540 19.000 0.003 0.000 0.822 47 A HN 0.475 nan 8.150 nan 0.000 0.443 48 Q N -0.686 119.091 119.800 -0.038 0.000 2.061 48 Q HA -0.127 4.213 4.340 -0.000 0.000 0.204 48 Q C 2.020 177.966 176.000 -0.090 0.000 0.984 48 Q CA 1.652 57.417 55.803 -0.063 0.000 0.846 48 Q CB -0.400 28.277 28.738 -0.102 0.000 0.902 48 Q HN 0.443 nan 8.270 nan 0.000 0.421 49 V N -0.068 119.786 119.914 -0.100 0.000 3.078 49 V HA -0.107 4.012 4.120 -0.000 0.000 0.265 49 V C 1.297 177.323 176.094 -0.114 0.000 1.122 49 V CA 1.496 63.717 62.300 -0.131 0.000 1.141 49 V CB -0.461 31.286 31.823 -0.127 0.000 0.735 49 V HN 0.739 nan 8.190 nan 0.000 0.498 50 G N 0.090 108.842 108.800 -0.080 0.000 2.132 50 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.234 50 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.234 50 G C -0.089 174.779 174.900 -0.052 0.000 0.989 50 G CA 0.008 45.070 45.100 -0.063 0.000 0.676 50 G HN 0.475 nan 8.290 nan 0.000 0.522 51 E N 0.839 121.004 120.200 -0.058 0.000 2.283 51 E HA 0.374 4.724 4.350 -0.000 0.000 0.278 51 E C -2.303 174.264 176.600 -0.054 0.000 1.027 51 E CA -1.885 54.479 56.400 -0.060 0.000 0.843 51 E CB 0.951 30.602 29.700 -0.082 0.000 1.062 51 E HN 0.159 nan 8.360 nan 0.000 0.401 52 P HA 0.053 nan 4.420 nan 0.000 0.267 52 P C -0.680 176.576 177.300 -0.072 0.000 1.209 52 P CA 0.092 63.162 63.100 -0.051 0.000 0.763 52 P CB 0.610 32.287 31.700 -0.038 0.000 0.816 53 V N 5.193 125.074 119.914 -0.055 0.000 2.971 53 V HA 0.694 4.814 4.120 -0.000 0.000 0.309 53 V C -1.771 174.294 176.094 -0.049 0.000 1.130 53 V CA -0.956 61.312 62.300 -0.054 0.000 0.964 53 V CB 2.402 34.199 31.823 -0.042 0.000 1.029 53 V HN 0.338 nan 8.190 nan 0.000 0.427 54 L N 5.396 126.586 121.223 -0.054 0.000 2.438 54 L HA 0.976 5.316 4.340 -0.000 0.000 0.270 54 L C -0.269 176.562 176.870 -0.066 0.000 0.972 54 L CA 0.097 54.896 54.840 -0.068 0.000 0.831 54 L CB 1.755 43.761 42.059 -0.088 0.000 1.273 54 L HN 0.946 nan 8.230 nan 0.000 0.405 55 A N 3.353 126.111 122.820 -0.102 0.000 2.301 55 A HA 0.854 5.174 4.320 -0.000 0.000 0.312 55 A C -0.287 177.089 177.584 -0.346 0.000 1.182 55 A CA -0.127 51.828 52.037 -0.138 0.000 0.826 55 A CB 1.223 20.172 19.000 -0.085 0.000 1.134 55 A HN 0.781 nan 8.150 nan 0.000 0.501 56 S N 0.243 115.882 115.700 -0.102 0.000 2.806 56 S HA 0.947 5.416 4.470 -0.000 0.000 0.306 56 S C -0.041 174.799 174.600 0.399 0.000 1.167 56 S CA 0.390 58.614 58.200 0.040 0.000 0.847 56 S CB 1.594 64.948 63.200 0.257 0.000 1.216 56 S HN 2.550 nan 8.310 nan 0.000 0.532 57 G N 0.360 109.476 108.800 0.526 0.000 2.320 57 G HA2 0.223 4.183 3.960 -0.000 0.000 0.274 57 G HA3 0.223 4.183 3.960 -0.000 0.000 0.274 57 G C -2.041 172.903 174.900 0.074 0.000 1.324 57 G CA -0.819 44.395 45.100 0.190 0.000 0.957 57 G HN 0.574 nan 8.290 nan 0.000 0.481 58 F N 0.948 120.948 119.950 0.084 0.000 2.421 58 F HA 0.797 5.324 4.527 -0.000 0.000 0.337 58 F C 1.020 176.788 175.800 -0.053 0.000 1.105 58 F CA -0.491 57.543 58.000 0.058 0.000 1.049 58 F CB 1.716 40.690 39.000 -0.043 0.000 1.139 58 F HN 0.605 nan 8.300 nan 0.000 0.479 59 I N -0.282 120.370 120.570 0.137 0.000 2.969 59 I HA 1.048 5.218 4.170 -0.000 0.000 0.307 59 I C -0.567 175.558 176.117 0.014 0.000 1.149 59 I CA -0.953 60.317 61.300 -0.049 0.000 1.008 59 I CB 2.445 40.293 38.000 -0.252 0.000 1.232 59 I HN 0.635 nan 8.210 nan 0.000 0.435 60 G N 1.266 110.051 108.800 -0.024 0.000 2.733 60 G HA2 0.667 4.627 3.960 -0.000 0.000 0.297 60 G HA3 0.667 4.627 3.960 -0.000 0.000 0.297 60 G C -0.350 174.535 174.900 -0.024 0.000 1.422 60 G CA -0.298 44.792 45.100 -0.016 0.000 0.942 60 G HN 1.528 nan 8.290 nan 0.000 0.510 61 G N 0.887 109.676 108.800 -0.017 0.000 2.698 61 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.233 61 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.233 61 G C 0.792 175.688 174.900 -0.007 0.000 1.352 61 G CA 0.464 45.555 45.100 -0.015 0.000 0.879 61 G HN 0.798 nan 8.290 nan 0.000 0.567 62 E N -0.254 119.944 120.200 -0.004 0.000 2.150 62 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 62 E C 2.828 179.443 176.600 0.026 0.000 0.985 62 E CA 1.267 57.675 56.400 0.012 0.000 0.814 62 E CB -0.097 29.607 29.700 0.006 0.000 0.752 62 E HN 0.530 nan 8.360 nan 0.000 0.466 63 L N 0.473 121.694 121.223 -0.003 0.000 2.156 63 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 63 L C 2.466 179.352 176.870 0.026 0.000 1.095 63 L CA 1.050 55.891 54.840 0.002 0.000 0.770 63 L CB -0.732 41.295 42.059 -0.053 0.000 0.914 63 L HN 0.188 nan 8.230 nan 0.000 0.439 64 G N -0.816 107.973 108.800 -0.020 0.000 2.440 64 G HA2 -0.256 3.703 3.960 -0.000 0.000 0.218 64 G HA3 -0.256 3.703 3.960 -0.000 0.000 0.218 64 G C 1.489 176.358 174.900 -0.052 0.000 1.154 64 G CA 0.238 45.296 45.100 -0.069 0.000 0.767 64 G HN 0.254 nan 8.290 nan 0.000 0.552 65 Q N -0.467 119.336 119.800 0.004 0.000 2.170 65 Q HA -0.033 4.307 4.340 -0.000 0.000 0.203 65 Q C 2.128 178.138 176.000 0.016 0.000 0.976 65 Q CA 0.642 56.454 55.803 0.015 0.000 0.858 65 Q CB -0.439 28.319 28.738 0.033 0.000 0.907 65 Q HN 0.612 nan 8.270 nan 0.000 0.433 66 F N 0.815 120.713 119.950 -0.086 0.000 2.146 66 F HA -0.133 4.394 4.527 -0.000 0.000 0.298 66 F C 1.979 177.706 175.800 -0.122 0.000 1.096 66 F CA 0.852 58.798 58.000 -0.091 0.000 1.275 66 F CB -0.085 38.873 39.000 -0.070 0.000 1.008 66 F HN -0.049 nan 8.300 nan 0.000 0.480 67 I N 0.340 120.897 120.570 -0.020 0.000 2.163 67 I HA -0.346 3.824 4.170 -0.000 0.000 0.243 67 I C 2.713 178.676 176.117 -0.257 0.000 1.085 67 I CA 1.320 62.527 61.300 -0.156 0.000 1.347 67 I CB -1.066 36.807 38.000 -0.212 0.000 1.044 67 I HN 0.261 nan 8.210 nan 0.000 0.408 68 A N 0.644 123.317 122.820 -0.245 0.000 1.902 68 A HA -0.268 4.052 4.320 -0.000 0.000 0.217 68 A C 2.406 179.829 177.584 -0.268 0.000 1.181 68 A CA 1.935 53.782 52.037 -0.316 0.000 0.623 68 A CB -0.538 18.427 19.000 -0.057 0.000 0.818 68 A HN 0.354 nan 8.150 nan 0.000 0.443 69 K N -0.504 119.722 120.400 -0.291 0.000 2.057 69 K HA -0.168 4.151 4.320 -0.000 0.000 0.207 69 K C 1.918 178.131 176.600 -0.646 0.000 1.049 69 K CA 1.408 57.429 56.287 -0.443 0.000 0.931 69 K CB -0.091 32.131 32.500 -0.463 0.000 0.714 69 K HN 0.198 nan 8.250 nan 0.000 0.440 70 K N 0.876 120.920 120.400 -0.592 0.000 2.057 70 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 70 K C 2.161 178.638 176.600 -0.206 0.000 1.049 70 K CA 1.145 57.169 56.287 -0.438 0.000 0.931 70 K CB -0.321 31.925 32.500 -0.422 0.000 0.714 70 K HN 0.264 nan 8.250 nan 0.000 0.440 71 L N 0.995 122.118 121.223 -0.167 0.000 2.093 71 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 71 L C 1.924 178.819 176.870 0.041 0.000 1.085 71 L CA 1.082 55.902 54.840 -0.032 0.000 0.755 71 L CB -0.550 41.494 42.059 -0.025 0.000 0.904 71 L HN 0.085 nan 8.230 nan 0.000 0.435 72 D N -0.407 120.005 120.400 0.020 0.000 2.123 72 D HA -0.195 4.444 4.640 -0.000 0.000 0.196 72 D C 2.048 178.419 176.300 0.119 0.000 0.992 72 D CA 1.453 55.505 54.000 0.087 0.000 0.833 72 D CB -0.340 40.495 40.800 0.057 0.000 0.954 72 D HN 0.479 nan 8.370 nan 0.000 0.455 73 H N -0.265 118.800 119.070 -0.007 0.000 2.456 73 H HA 0.079 4.634 4.556 -0.000 0.000 0.296 73 H C 1.399 176.724 175.328 -0.004 0.000 1.079 73 H CA 0.718 56.756 56.048 -0.017 0.000 1.322 73 H CB 0.267 30.001 29.762 -0.046 0.000 1.388 73 H HN 0.078 nan 8.280 nan 0.000 0.538 74 A N 0.499 123.393 122.820 0.122 0.000 2.337 74 A HA 0.062 4.381 4.320 -0.000 0.000 0.227 74 A C 0.032 177.654 177.584 0.064 0.000 1.259 74 A CA 0.085 52.169 52.037 0.078 0.000 0.870 74 A CB 0.012 19.048 19.000 0.061 0.000 0.927 74 A HN 0.406 nan 8.150 nan 0.000 0.497 75 D N -0.701 119.742 120.400 0.072 0.000 2.737 75 D HA -0.157 4.483 4.640 -0.000 0.000 0.233 75 D C -0.377 175.953 176.300 0.050 0.000 1.155 75 D CA 0.901 54.934 54.000 0.055 0.000 0.667 75 D CB -1.163 39.658 40.800 0.035 0.000 1.060 75 D HN 0.585 nan 8.370 nan 0.000 0.427 76 I N 0.557 121.171 120.570 0.073 0.000 2.336 76 I HA 0.156 4.326 4.170 -0.000 0.000 0.292 76 I C 0.887 177.070 176.117 0.110 0.000 0.991 76 I CA -0.771 60.572 61.300 0.073 0.000 1.227 76 I CB 1.160 39.206 38.000 0.075 0.000 1.366 76 I HN -0.160 nan 8.210 nan 0.000 0.466 77 K N 5.464 125.885 120.400 0.034 0.000 2.295 77 K HA 0.334 4.654 4.320 -0.000 0.000 0.270 77 K C -0.741 175.842 176.600 -0.030 0.000 1.011 77 K CA -0.230 56.033 56.287 -0.039 0.000 0.953 77 K CB 0.631 33.083 32.500 -0.081 0.000 0.956 77 K HN 0.646 nan 8.250 nan 0.000 0.477 78 H N -2.098 116.883 119.070 -0.148 0.000 2.996 78 H HA 0.621 5.177 4.556 -0.000 0.000 0.368 78 H C -1.608 173.567 175.328 -0.254 0.000 1.185 78 H CA -1.251 54.593 56.048 -0.339 0.000 1.160 78 H CB 1.774 31.241 29.762 -0.492 0.000 1.820 78 H HN 0.509 nan 8.280 nan 0.000 0.547 79 A N 2.865 125.541 122.820 -0.241 0.000 3.266 79 A HA 0.420 4.740 4.320 -0.000 0.000 0.310 79 A C -1.226 176.463 177.584 0.176 0.000 1.066 79 A CA -0.602 51.441 52.037 0.010 0.000 0.839 79 A CB -0.644 18.376 19.000 0.033 0.000 1.192 79 A HN 0.490 nan 8.150 nan 0.000 0.496 80 F N -0.257 119.879 119.950 0.309 0.000 2.426 80 F HA 0.381 4.908 4.527 -0.000 0.000 0.309 80 F C 0.400 176.269 175.800 0.115 0.000 1.246 80 F CA 0.122 58.269 58.000 0.245 0.000 1.229 80 F CB 0.539 39.648 39.000 0.181 0.000 1.255 80 F HN 0.492 nan 8.300 nan 0.000 0.558 81 Y N 1.584 122.008 120.300 0.207 0.000 2.331 81 Y HA 0.312 4.861 4.550 -0.000 0.000 0.334 81 Y C -0.344 175.665 175.900 0.183 0.000 0.960 81 Y CA -1.091 57.018 58.100 0.015 0.000 1.130 81 Y CB 0.492 38.984 38.460 0.054 0.000 1.164 81 Y HN 0.438 nan 8.280 nan 0.000 0.458 82 N N 6.857 125.376 118.700 -0.301 0.000 2.520 82 N HA 0.324 5.064 4.740 -0.000 0.000 0.273 82 N C -0.588 174.884 175.510 -0.065 0.000 1.155 82 N CA 0.214 53.189 53.050 -0.125 0.000 0.967 82 N CB 1.217 39.624 38.487 -0.133 0.000 1.092 82 N HN 0.747 nan 8.380 nan 0.000 0.457 83 I N -1.558 119.050 120.570 0.063 0.000 3.067 83 I HA 0.406 4.576 4.170 -0.000 0.000 0.312 83 I C 0.841 176.961 176.117 0.006 0.000 1.073 83 I CA -0.947 60.394 61.300 0.068 0.000 1.016 83 I CB 1.822 39.847 38.000 0.042 0.000 1.227 83 I HN 0.202 nan 8.210 nan 0.000 0.456 84 K N 1.581 121.979 120.400 -0.004 0.000 2.228 84 K HA 0.144 4.464 4.320 -0.000 0.000 0.202 84 K C 1.072 177.656 176.600 -0.027 0.000 1.051 84 K CA 0.721 56.999 56.287 -0.015 0.000 0.960 84 K CB -0.151 32.341 32.500 -0.013 0.000 0.743 84 K HN 0.863 nan 8.250 nan 0.000 0.458 85 G N 1.047 109.822 108.800 -0.042 0.000 2.653 85 G HA2 0.028 3.988 3.960 -0.000 0.000 0.265 85 G HA3 0.028 3.988 3.960 -0.000 0.000 0.265 85 G C -0.633 174.241 174.900 -0.043 0.000 1.237 85 G CA -0.427 44.642 45.100 -0.052 0.000 0.946 85 G HN 0.055 nan 8.290 nan 0.000 0.522 86 E N -0.473 119.700 120.200 -0.046 0.000 2.179 86 E HA 0.251 4.600 4.350 -0.000 0.000 0.275 86 E C -0.128 176.443 176.600 -0.048 0.000 0.945 86 E CA -0.311 56.064 56.400 -0.042 0.000 0.792 86 E CB 1.404 31.081 29.700 -0.039 0.000 1.125 86 E HN 0.328 nan 8.360 nan 0.000 0.397 87 T N 3.144 117.670 114.554 -0.047 0.000 2.946 87 T HA -0.010 4.340 4.350 -0.000 0.000 0.311 87 T C 0.627 175.296 174.700 -0.051 0.000 1.063 87 T CA 0.170 62.239 62.100 -0.052 0.000 1.139 87 T CB 0.183 69.014 68.868 -0.062 0.000 0.994 87 T HN 0.404 nan 8.240 nan 0.000 0.547 88 R N 2.683 123.154 120.500 -0.048 0.000 2.637 88 R HA 0.312 4.652 4.340 -0.000 0.000 0.269 88 R C -0.461 175.811 176.300 -0.047 0.000 1.089 88 R CA -0.601 55.472 56.100 -0.045 0.000 1.177 88 R CB 0.424 30.702 30.300 -0.037 0.000 1.091 88 R HN 0.536 nan 8.270 nan 0.000 0.540 89 N N -0.784 117.888 118.700 -0.047 0.000 2.472 89 N HA 0.384 5.124 4.740 -0.000 0.000 0.289 89 N C -1.343 174.148 175.510 -0.031 0.000 1.156 89 N CA -0.480 52.539 53.050 -0.051 0.000 0.940 89 N CB 1.755 40.209 38.487 -0.055 0.000 1.200 89 N HN 0.464 nan 8.380 nan 0.000 0.511 90 C N 1.428 120.710 119.300 -0.029 0.000 2.698 90 C HA 0.540 5.000 4.460 -0.000 0.000 0.309 90 C C -0.858 174.121 174.990 -0.018 0.000 1.186 90 C CA -0.848 58.161 59.018 -0.014 0.000 1.474 90 C CB 0.557 28.293 27.740 -0.006 0.000 2.020 90 C HN 0.536 nan 8.230 nan 0.000 0.474 91 I N 2.615 123.190 120.570 0.008 0.000 2.412 91 I HA 0.633 4.802 4.170 -0.000 0.000 0.296 91 I C 0.353 176.491 176.117 0.036 0.000 0.987 91 I CA -0.329 60.987 61.300 0.026 0.000 1.180 91 I CB 1.145 39.206 38.000 0.102 0.000 1.340 91 I HN 0.806 nan 8.210 nan 0.000 0.455 92 A N 7.641 130.474 122.820 0.021 0.000 2.311 92 A HA 0.784 5.103 4.320 -0.000 0.000 0.306 92 A C -0.550 177.101 177.584 0.112 0.000 1.189 92 A CA -0.478 51.591 52.037 0.054 0.000 0.791 92 A CB 0.618 19.633 19.000 0.024 0.000 1.172 92 A HN 0.615 nan 8.150 nan 0.000 0.481 93 I N 3.479 124.143 120.570 0.158 0.000 2.312 93 I HA 0.284 4.453 4.170 -0.000 0.000 0.290 93 I C -0.673 175.609 176.117 0.274 0.000 1.008 93 I CA -0.220 61.202 61.300 0.203 0.000 1.226 93 I CB 1.248 39.305 38.000 0.095 0.000 1.371 93 I HN 0.474 nan 8.210 nan 0.000 0.468 94 L N 7.672 129.033 121.223 0.230 0.000 2.262 94 L HA 0.500 4.840 4.340 -0.000 0.000 0.288 94 L C -0.653 176.357 176.870 0.233 0.000 1.035 94 L CA -0.597 54.356 54.840 0.189 0.000 0.820 94 L CB 0.215 42.332 42.059 0.097 0.000 1.204 94 L HN 0.718 nan 8.230 nan 0.000 0.424 95 H N 0.156 119.245 119.070 0.031 0.000 3.017 95 H HA 0.331 4.887 4.556 -0.000 0.000 0.340 95 H C -0.730 174.608 175.328 0.017 0.000 1.014 95 H CA -0.960 55.102 56.048 0.023 0.000 1.341 95 H CB 1.117 30.891 29.762 0.020 0.000 1.739 95 H HN 0.600 nan 8.280 nan 0.000 0.506 96 E N 2.467 122.663 120.200 -0.007 0.000 2.297 96 E HA -0.263 4.087 4.350 -0.000 0.000 0.228 96 E C 0.979 177.514 176.600 -0.108 0.000 1.213 96 E CA 0.978 57.349 56.400 -0.048 0.000 0.712 96 E CB -1.350 28.336 29.700 -0.023 0.000 1.202 96 E HN 1.329 nan 8.360 nan 0.000 0.376 97 G N -0.206 108.540 108.800 -0.091 0.000 2.162 97 G HA2 -0.363 3.597 3.960 -0.000 0.000 0.260 97 G HA3 -0.363 3.597 3.960 -0.000 0.000 0.260 97 G C 0.126 174.952 174.900 -0.124 0.000 0.976 97 G CA 0.877 45.928 45.100 -0.081 0.000 0.655 97 G HN 0.403 nan 8.290 nan 0.000 0.533 98 Q N -0.826 118.827 119.800 -0.244 0.000 2.241 98 Q HA 0.680 5.020 4.340 -0.000 0.000 0.262 98 Q C -0.252 175.645 176.000 -0.171 0.000 1.014 98 Q CA -0.663 54.972 55.803 -0.280 0.000 0.885 98 Q CB 1.589 30.009 28.738 -0.531 0.000 1.311 98 Q HN 0.293 nan 8.270 nan 0.000 0.461 99 Q N 1.006 120.774 119.800 -0.054 0.000 2.347 99 Q HA 0.310 4.650 4.340 -0.000 0.000 0.265 99 Q C -1.514 174.544 176.000 0.097 0.000 1.024 99 Q CA -0.219 55.612 55.803 0.047 0.000 0.731 99 Q CB 1.577 30.336 28.738 0.034 0.000 1.245 99 Q HN 0.556 nan 8.270 nan 0.000 0.472 100 T N 3.570 118.239 114.554 0.193 0.000 2.767 100 T HA 0.384 4.734 4.350 -0.000 0.000 0.284 100 T C -0.747 174.017 174.700 0.107 0.000 0.973 100 T CA -0.468 61.733 62.100 0.169 0.000 0.996 100 T CB 1.024 70.034 68.868 0.237 0.000 0.927 100 T HN 0.498 nan 8.240 nan 0.000 0.456 101 E N 2.331 122.575 120.200 0.072 0.000 2.256 101 E HA 0.548 4.898 4.350 -0.000 0.000 0.267 101 E C -0.732 175.892 176.600 0.041 0.000 0.892 101 E CA -0.795 55.638 56.400 0.054 0.000 0.775 101 E CB 2.327 32.053 29.700 0.043 0.000 1.207 101 E HN 0.483 nan 8.360 nan 0.000 0.420 102 I N 3.146 123.738 120.570 0.036 0.000 2.410 102 I HA 0.234 4.404 4.170 -0.000 0.000 0.286 102 I C -1.249 174.878 176.117 0.017 0.000 1.009 102 I CA -0.919 60.396 61.300 0.025 0.000 1.111 102 I CB 0.949 38.964 38.000 0.025 0.000 1.262 102 I HN 0.194 nan 8.210 nan 0.000 0.443 103 L N 6.715 127.945 121.223 0.011 0.000 2.305 103 L HA 0.408 4.748 4.340 -0.000 0.000 0.284 103 L C 0.153 177.022 176.870 -0.002 0.000 1.013 103 L CA -0.551 54.293 54.840 0.006 0.000 0.819 103 L CB 1.217 43.282 42.059 0.009 0.000 1.227 103 L HN 0.516 nan 8.230 nan 0.000 0.417 104 E N 1.849 122.044 120.200 -0.008 0.000 2.331 104 E HA 0.108 4.458 4.350 -0.000 0.000 0.272 104 E C 0.360 176.948 176.600 -0.019 0.000 1.036 104 E CA -0.233 56.157 56.400 -0.015 0.000 0.864 104 E CB 1.351 31.038 29.700 -0.021 0.000 1.035 104 E HN 0.516 nan 8.360 nan 0.000 0.408 105 Q N 2.262 122.048 119.800 -0.024 0.000 2.124 105 Q HA -0.111 4.229 4.340 -0.000 0.000 0.202 105 Q C 0.658 176.633 176.000 -0.042 0.000 0.977 105 Q CA 1.398 57.182 55.803 -0.031 0.000 0.850 105 Q CB 0.018 28.736 28.738 -0.035 0.000 0.901 105 Q HN 0.815 nan 8.270 nan 0.000 0.429 106 G N 0.295 109.068 108.800 -0.045 0.000 2.627 106 G HA2 -0.192 3.767 3.960 -0.000 0.000 0.214 106 G HA3 -0.192 3.767 3.960 -0.000 0.000 0.214 106 G C -2.584 172.273 174.900 -0.071 0.000 1.331 106 G CA -0.386 44.681 45.100 -0.055 0.000 0.891 106 G HN 0.344 nan 8.290 nan 0.000 0.539 107 P HA 0.385 nan 4.420 nan 0.000 0.276 107 P C -0.510 176.707 177.300 -0.138 0.000 1.244 107 P CA -0.172 62.866 63.100 -0.103 0.000 0.801 107 P CB 0.963 32.598 31.700 -0.108 0.000 1.006 108 E N 0.893 121.013 120.200 -0.133 0.000 2.259 108 E HA 0.269 4.619 4.350 -0.000 0.000 0.281 108 E C -0.232 176.243 176.600 -0.209 0.000 1.027 108 E CA -0.624 55.681 56.400 -0.158 0.000 0.838 108 E CB 0.679 30.309 29.700 -0.116 0.000 1.066 108 E HN 0.311 nan 8.360 nan 0.000 0.401 109 I N 3.653 124.047 120.570 -0.293 0.000 2.331 109 I HA 0.094 4.263 4.170 -0.000 0.000 0.292 109 I C 0.402 176.373 176.117 -0.243 0.000 0.998 109 I CA -0.695 60.382 61.300 -0.371 0.000 1.267 109 I CB 0.576 38.171 38.000 -0.675 0.000 1.386 109 I HN 0.517 nan 8.210 nan 0.000 0.476 110 D N 4.699 125.003 120.400 -0.159 0.000 2.451 110 D HA 0.128 4.768 4.640 -0.000 0.000 0.259 110 D C 0.547 176.807 176.300 -0.066 0.000 1.201 110 D CA -0.445 53.499 54.000 -0.093 0.000 1.028 110 D CB 0.533 41.304 40.800 -0.048 0.000 1.095 110 D HN 0.250 nan 8.370 nan 0.000 0.539 111 N N -0.702 117.980 118.700 -0.030 0.000 2.244 111 N HA -0.142 4.598 4.740 -0.000 0.000 0.183 111 N C 1.347 176.883 175.510 0.043 0.000 1.016 111 N CA 0.879 53.929 53.050 -0.000 0.000 0.866 111 N CB -0.322 38.169 38.487 0.008 0.000 0.980 111 N HN 0.488 nan 8.380 nan 0.000 0.430 112 Q N 1.293 121.125 119.800 0.053 0.000 2.079 112 Q HA -0.019 4.321 4.340 -0.000 0.000 0.200 112 Q C 1.442 177.530 176.000 0.147 0.000 0.974 112 Q CA 1.454 57.312 55.803 0.093 0.000 0.840 112 Q CB -0.088 28.704 28.738 0.089 0.000 0.898 112 Q HN 0.432 nan 8.270 nan 0.000 0.430 113 E N -0.347 119.946 120.200 0.156 0.000 2.077 113 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 113 E C 1.889 178.634 176.600 0.241 0.000 0.989 113 E CA 0.969 57.535 56.400 0.276 0.000 0.800 113 E CB -0.253 29.567 29.700 0.201 0.000 0.746 113 E HN 0.466 nan 8.360 nan 0.000 0.452 114 A N 1.524 124.417 122.820 0.121 0.000 1.908 114 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 114 A C 2.387 180.167 177.584 0.327 0.000 1.181 114 A CA 1.873 54.019 52.037 0.181 0.000 0.627 114 A CB -0.688 18.309 19.000 -0.006 0.000 0.818 114 A HN 0.303 nan 8.150 nan 0.000 0.445 115 A N -0.692 122.246 122.820 0.196 0.000 1.897 115 A HA 0.209 4.529 4.320 -0.000 0.000 0.215 115 A C 2.421 180.068 177.584 0.105 0.000 1.181 115 A CA 1.740 53.871 52.037 0.155 0.000 0.620 115 A CB -1.350 17.717 19.000 0.112 0.000 0.821 115 A HN 0.725 nan 8.150 nan 0.000 0.443 116 G N -1.129 107.717 108.800 0.076 0.000 2.418 116 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 116 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 116 G C 1.466 176.117 174.900 -0.415 0.000 1.158 116 G CA 1.182 46.258 45.100 -0.039 0.000 0.771 116 G HN 0.494 nan 8.290 nan 0.000 0.545 117 F N 1.238 120.789 119.950 -0.666 0.000 2.134 117 F HA -0.021 4.506 4.527 -0.000 0.000 0.299 117 F C 2.397 178.138 175.800 -0.099 0.000 1.097 117 F CA 0.787 58.434 58.000 -0.588 0.000 1.264 117 F CB 0.003 38.782 39.000 -0.367 0.000 1.001 117 F HN -0.001 nan 8.300 nan 0.000 0.479 118 I N 0.775 121.362 120.570 0.029 0.000 2.208 118 I HA -0.307 3.862 4.170 -0.000 0.000 0.245 118 I C 2.209 178.297 176.117 -0.049 0.000 1.097 118 I CA 1.649 62.940 61.300 -0.016 0.000 1.363 118 I CB -1.183 36.847 38.000 0.049 0.000 1.051 118 I HN 0.242 nan 8.210 nan 0.000 0.413 119 K N -0.787 119.589 120.400 -0.041 0.000 2.062 119 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 119 K C 2.216 178.784 176.600 -0.052 0.000 1.051 119 K CA 0.800 57.071 56.287 -0.027 0.000 0.941 119 K CB -0.356 32.154 32.500 0.017 0.000 0.719 119 K HN 0.381 nan 8.250 nan 0.000 0.440 120 H N 0.150 119.113 119.070 -0.177 0.000 2.319 120 H HA -0.195 4.361 4.556 -0.000 0.000 0.299 120 H C 1.979 177.150 175.328 -0.262 0.000 1.092 120 H CA 1.967 57.914 56.048 -0.169 0.000 1.302 120 H CB -0.074 29.610 29.762 -0.130 0.000 1.373 120 H HN 0.194 nan 8.280 nan 0.000 0.497 121 F N 1.855 121.470 119.950 -0.559 0.000 2.146 121 F HA -0.115 4.412 4.527 -0.000 0.000 0.298 121 F C 2.374 177.976 175.800 -0.330 0.000 1.096 121 F CA 1.549 59.218 58.000 -0.552 0.000 1.275 121 F CB -0.249 38.329 39.000 -0.704 0.000 1.008 121 F HN 0.175 nan 8.300 nan 0.000 0.480 122 E N -0.025 119.990 120.200 -0.310 0.000 2.085 122 E HA -0.292 4.057 4.350 -0.000 0.000 0.194 122 E C 2.161 178.555 176.600 -0.344 0.000 0.994 122 E CA 1.778 57.987 56.400 -0.317 0.000 0.801 122 E CB -0.293 29.327 29.700 -0.135 0.000 0.743 122 E HN 0.627 nan 8.360 nan 0.000 0.453 123 Q N 0.242 119.860 119.800 -0.304 0.000 2.124 123 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 123 Q C 2.342 178.142 176.000 -0.333 0.000 0.977 123 Q CA 0.974 56.612 55.803 -0.274 0.000 0.850 123 Q CB -0.083 28.515 28.738 -0.234 0.000 0.901 123 Q HN 0.337 nan 8.270 nan 0.000 0.429 124 L N 0.311 121.265 121.223 -0.449 0.000 2.093 124 L HA -0.153 4.186 4.340 -0.000 0.000 0.208 124 L C 2.319 178.945 176.870 -0.407 0.000 1.085 124 L CA 0.633 55.226 54.840 -0.411 0.000 0.755 124 L CB -0.430 41.379 42.059 -0.417 0.000 0.904 124 L HN 0.276 nan 8.230 nan 0.000 0.435 125 L N -0.040 120.840 121.223 -0.571 0.000 2.129 125 L HA -0.233 4.107 4.340 -0.000 0.000 0.212 125 L C 2.691 179.392 176.870 -0.281 0.000 1.087 125 L CA 1.119 55.666 54.840 -0.489 0.000 0.757 125 L CB -0.373 41.348 42.059 -0.563 0.000 0.896 125 L HN 0.353 nan 8.230 nan 0.000 0.434 126 E N -0.001 120.052 120.200 -0.245 0.000 2.209 126 E HA -0.183 4.167 4.350 -0.000 0.000 0.196 126 E C 1.653 178.172 176.600 -0.135 0.000 0.993 126 E CA 0.962 57.263 56.400 -0.164 0.000 0.819 126 E CB -0.013 29.600 29.700 -0.145 0.000 0.745 126 E HN 0.371 nan 8.360 nan 0.000 0.477 127 K N 0.269 120.576 120.400 -0.154 0.000 2.358 127 K HA 0.132 4.451 4.320 -0.000 0.000 0.197 127 K C 0.780 177.315 176.600 -0.107 0.000 1.025 127 K CA -0.026 56.189 56.287 -0.120 0.000 1.104 127 K CB 0.817 33.240 32.500 -0.128 0.000 0.855 127 K HN 0.072 nan 8.250 nan 0.000 0.531 128 V N -3.029 116.813 119.914 -0.120 0.000 3.130 128 V HA 0.462 4.582 4.120 -0.000 0.000 0.310 128 V C 0.069 176.107 176.094 -0.093 0.000 1.158 128 V CA -0.849 61.385 62.300 -0.110 0.000 1.029 128 V CB 2.406 34.156 31.823 -0.122 0.000 1.057 128 V HN 0.004 nan 8.190 nan 0.000 0.436 129 E N 0.631 120.774 120.200 -0.095 0.000 2.601 129 E HA 0.689 5.038 4.350 -0.000 0.000 0.219 129 E C 0.068 176.620 176.600 -0.081 0.000 0.964 129 E CA 0.556 56.913 56.400 -0.071 0.000 1.050 129 E CB 1.477 31.146 29.700 -0.052 0.000 1.068 129 E HN 1.131 nan 8.360 nan 0.000 0.496 130 A N 0.407 123.173 122.820 -0.089 0.000 2.594 130 A HA 0.547 4.867 4.320 -0.000 0.000 0.296 130 A C -1.452 176.106 177.584 -0.045 0.000 1.061 130 A CA -0.539 51.456 52.037 -0.070 0.000 0.689 130 A CB 1.554 20.491 19.000 -0.105 0.000 1.280 130 A HN -0.028 nan 8.150 nan 0.000 0.406 131 V N 1.136 121.044 119.914 -0.010 0.000 2.444 131 V HA 0.714 4.834 4.120 -0.000 0.000 0.294 131 V C 0.380 176.477 176.094 0.005 0.000 1.022 131 V CA -0.149 62.168 62.300 0.030 0.000 0.850 131 V CB 1.447 33.339 31.823 0.116 0.000 0.992 131 V HN 1.547 nan 8.190 nan 0.000 0.426 132 A N 6.656 129.476 122.820 -0.001 0.000 2.260 132 A HA 0.862 5.182 4.320 -0.000 0.000 0.314 132 A C -0.573 177.002 177.584 -0.016 0.000 1.257 132 A CA -0.371 51.653 52.037 -0.020 0.000 0.871 132 A CB 0.291 19.276 19.000 -0.024 0.000 1.166 132 A HN 0.792 nan 8.150 nan 0.000 0.522 133 I N 2.325 122.854 120.570 -0.068 0.000 2.382 133 I HA 0.341 4.510 4.170 -0.000 0.000 0.286 133 I C -0.165 175.874 176.117 -0.130 0.000 1.002 133 I CA -0.065 61.157 61.300 -0.131 0.000 1.135 133 I CB 1.969 39.781 38.000 -0.313 0.000 1.288 133 I HN 0.514 nan 8.210 nan 0.000 0.448 134 S N 3.765 119.440 115.700 -0.041 0.000 2.521 134 S HA 0.897 5.367 4.470 -0.000 0.000 0.295 134 S C 0.089 174.740 174.600 0.086 0.000 1.098 134 S CA -0.418 57.788 58.200 0.010 0.000 0.999 134 S CB 2.052 65.271 63.200 0.032 0.000 1.034 134 S HN 1.112 nan 8.310 nan 0.000 0.483 135 G N 2.093 110.954 108.800 0.103 0.000 2.710 135 G HA2 -0.054 3.906 3.960 -0.000 0.000 0.668 135 G HA3 -0.054 3.906 3.960 -0.000 0.000 0.668 135 G C -0.298 174.748 174.900 0.243 0.000 1.320 135 G CA -0.480 44.707 45.100 0.145 0.000 0.860 135 G HN 1.278 nan 8.290 nan 0.000 0.538 136 S N -0.882 114.919 115.700 0.168 0.000 2.707 136 S HA 0.777 5.246 4.470 -0.000 0.000 0.276 136 S C 0.563 175.195 174.600 0.052 0.000 1.179 136 S CA -0.862 57.419 58.200 0.135 0.000 0.992 136 S CB 1.393 64.633 63.200 0.067 0.000 1.030 136 S HN 0.931 nan 8.310 nan 0.000 0.554 137 L N 2.277 123.450 121.223 -0.082 0.000 2.349 137 L HA 0.370 4.710 4.340 -0.000 0.000 0.275 137 L C -1.820 174.974 176.870 -0.126 0.000 1.115 137 L CA -1.882 52.847 54.840 -0.185 0.000 0.820 137 L CB 0.152 42.042 42.059 -0.281 0.000 1.135 137 L HN 0.536 nan 8.230 nan 0.000 0.445 138 P HA 0.011 nan 4.420 nan 0.000 0.270 138 P C -0.702 176.482 177.300 -0.193 0.000 1.223 138 P CA -0.471 62.537 63.100 -0.153 0.000 0.785 138 P CB 0.671 32.251 31.700 -0.200 0.000 0.923 139 K N 0.360 120.664 120.400 -0.161 0.000 2.469 139 K HA 0.204 4.524 4.320 -0.000 0.000 0.274 139 K C 1.152 177.636 176.600 -0.193 0.000 0.983 139 K CA 0.861 57.059 56.287 -0.150 0.000 0.974 139 K CB -0.543 31.889 32.500 -0.113 0.000 0.913 139 K HN 0.769 nan 8.250 nan 0.000 0.493 140 G N 2.730 111.429 108.800 -0.169 0.000 2.284 140 G HA2 -0.251 3.708 3.960 -0.000 0.000 0.230 140 G HA3 -0.251 3.708 3.960 -0.000 0.000 0.230 140 G C 0.037 174.809 174.900 -0.213 0.000 1.021 140 G CA 0.069 45.062 45.100 -0.178 0.000 0.619 140 G HN 0.512 nan 8.290 nan 0.000 0.510 141 L N 1.610 122.662 121.223 -0.284 0.000 2.397 141 L HA 0.277 4.617 4.340 -0.000 0.000 0.271 141 L C 1.076 177.828 176.870 -0.196 0.000 1.148 141 L CA -0.724 53.904 54.840 -0.354 0.000 0.825 141 L CB 0.626 42.352 42.059 -0.555 0.000 1.117 141 L HN 0.317 nan 8.230 nan 0.000 0.456 142 N N 2.176 120.805 118.700 -0.118 0.000 2.407 142 N HA -0.096 4.643 4.740 -0.000 0.000 0.250 142 N C 0.858 176.364 175.510 -0.007 0.000 1.236 142 N CA 0.101 53.138 53.050 -0.023 0.000 0.879 142 N CB 0.967 39.483 38.487 0.048 0.000 1.088 142 N HN 0.686 nan 8.380 nan 0.000 0.450 143 Q N 1.317 121.115 119.800 -0.004 0.000 2.437 143 Q HA -0.149 4.191 4.340 -0.000 0.000 0.210 143 Q C 0.467 176.491 176.000 0.040 0.000 0.972 143 Q CA 1.391 57.193 55.803 -0.001 0.000 0.903 143 Q CB -0.077 28.661 28.738 0.000 0.000 0.967 143 Q HN 0.592 nan 8.270 nan 0.000 0.486 144 D N -0.626 119.818 120.400 0.074 0.000 2.336 144 D HA -0.147 4.492 4.640 -0.000 0.000 0.229 144 D C 1.072 177.449 176.300 0.129 0.000 1.061 144 D CA -0.158 53.900 54.000 0.096 0.000 0.875 144 D CB -0.283 40.569 40.800 0.087 0.000 0.904 144 D HN 0.335 nan 8.370 nan 0.000 0.525 145 Y N 0.443 120.721 120.300 -0.036 0.000 2.224 145 Y HA -0.213 4.337 4.550 -0.000 0.000 0.289 145 Y C 1.392 177.312 175.900 0.034 0.000 1.146 145 Y CA 1.448 59.524 58.100 -0.039 0.000 1.182 145 Y CB -0.258 38.128 38.460 -0.122 0.000 0.983 145 Y HN -0.088 nan 8.280 nan 0.000 0.524 146 Y N -0.909 119.440 120.300 0.081 0.000 2.242 146 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 146 Y C 2.573 178.455 175.900 -0.029 0.000 1.137 146 Y CA 0.566 58.663 58.100 -0.005 0.000 1.181 146 Y CB -1.351 37.133 38.460 0.040 0.000 0.989 146 Y HN 0.163 nan 8.280 nan 0.000 0.527 147 A N 0.020 122.943 122.820 0.172 0.000 1.908 147 A HA -0.228 4.091 4.320 -0.000 0.000 0.218 147 A C 2.218 179.840 177.584 0.063 0.000 1.181 147 A CA 1.649 53.768 52.037 0.136 0.000 0.627 147 A CB -0.548 18.539 19.000 0.145 0.000 0.818 147 A HN 0.378 nan 8.150 nan 0.000 0.445 148 Q N -0.380 119.411 119.800 -0.015 0.000 2.061 148 Q HA -0.158 4.181 4.340 -0.000 0.000 0.204 148 Q C 2.183 178.087 176.000 -0.159 0.000 0.984 148 Q CA 1.632 57.370 55.803 -0.109 0.000 0.846 148 Q CB -0.452 28.180 28.738 -0.176 0.000 0.902 148 Q HN 0.784 nan 8.270 nan 0.000 0.421 149 I N 0.286 120.726 120.570 -0.216 0.000 2.252 149 I HA -0.256 3.913 4.170 -0.000 0.000 0.245 149 I C 2.287 178.357 176.117 -0.079 0.000 1.102 149 I CA 0.897 62.030 61.300 -0.278 0.000 1.385 149 I CB -0.211 37.537 38.000 -0.420 0.000 1.064 149 I HN 0.106 nan 8.210 nan 0.000 0.414 150 I N 0.453 121.007 120.570 -0.027 0.000 2.252 150 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 150 I C 2.575 178.691 176.117 -0.001 0.000 1.102 150 I CA 1.262 62.581 61.300 0.032 0.000 1.385 150 I CB -0.398 37.647 38.000 0.075 0.000 1.064 150 I HN 0.280 nan 8.210 nan 0.000 0.414 151 E N 1.451 121.579 120.200 -0.119 0.000 2.065 151 E HA -0.312 4.038 4.350 -0.000 0.000 0.201 151 E C 2.337 178.765 176.600 -0.287 0.000 1.016 151 E CA 1.788 57.882 56.400 -0.510 0.000 0.818 151 E CB 0.000 29.266 29.700 -0.724 0.000 0.749 151 E HN 0.364 nan 8.360 nan 0.000 0.453 152 R N -0.464 119.966 120.500 -0.117 0.000 2.092 152 R HA -0.075 4.264 4.340 -0.000 0.000 0.231 152 R C 2.623 178.938 176.300 0.024 0.000 1.119 152 R CA 1.351 57.439 56.100 -0.020 0.000 0.970 152 R CB -0.345 30.013 30.300 0.096 0.000 0.864 152 R HN 0.330 nan 8.270 nan 0.000 0.440 153 C N 0.480 119.835 119.300 0.093 0.000 2.432 153 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 153 C C 2.621 177.628 174.990 0.029 0.000 1.249 153 C CA 0.517 59.581 59.018 0.077 0.000 1.725 153 C CB -0.685 27.128 27.740 0.122 0.000 2.028 153 C HN 0.497 nan 8.230 nan 0.000 0.477 154 Q N 0.835 120.650 119.800 0.027 0.000 2.112 154 Q HA -0.209 4.131 4.340 -0.000 0.000 0.206 154 Q C 1.859 177.871 176.000 0.021 0.000 0.987 154 Q CA 1.866 57.697 55.803 0.047 0.000 0.858 154 Q CB -0.814 27.992 28.738 0.114 0.000 0.905 154 Q HN 0.772 nan 8.270 nan 0.000 0.420 155 N N 0.495 119.180 118.700 -0.025 0.000 2.289 155 N HA -0.132 4.608 4.740 -0.000 0.000 0.184 155 N C 1.009 176.508 175.510 -0.019 0.000 1.016 155 N CA 1.007 54.041 53.050 -0.027 0.000 0.872 155 N CB 0.200 38.650 38.487 -0.062 0.000 0.973 155 N HN -0.044 nan 8.380 nan 0.000 0.433 156 K N -0.555 119.831 120.400 -0.023 0.000 2.358 156 K HA 0.248 4.568 4.320 -0.000 0.000 0.197 156 K C 0.533 177.126 176.600 -0.011 0.000 1.025 156 K CA 0.459 56.729 56.287 -0.030 0.000 1.104 156 K CB 0.041 32.504 32.500 -0.061 0.000 0.855 156 K HN 0.243 nan 8.250 nan 0.000 0.531 157 G N 1.730 110.535 108.800 0.008 0.000 2.295 157 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.287 157 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.287 157 G C -0.114 174.800 174.900 0.023 0.000 1.055 157 G CA 0.213 45.328 45.100 0.025 0.000 0.922 157 G HN 0.101 nan 8.290 nan 0.000 0.503 158 V N 2.285 122.208 119.914 0.015 0.000 2.347 158 V HA 0.445 4.565 4.120 -0.000 0.000 0.280 158 V C -1.245 174.864 176.094 0.025 0.000 1.021 158 V CA -1.612 60.692 62.300 0.007 0.000 0.847 158 V CB 1.730 33.541 31.823 -0.021 0.000 0.990 158 V HN 0.297 nan 8.190 nan 0.000 0.444 159 P HA 0.186 nan 4.420 nan 0.000 0.271 159 P C -0.770 176.542 177.300 0.021 0.000 1.218 159 P CA 0.009 63.127 63.100 0.030 0.000 0.780 159 P CB 1.312 33.025 31.700 0.022 0.000 0.901 160 V N 4.565 124.497 119.914 0.030 0.000 2.409 160 V HA 0.241 4.360 4.120 -0.000 0.000 0.291 160 V C 0.320 176.414 176.094 -0.001 0.000 1.020 160 V CA -0.548 61.762 62.300 0.016 0.000 0.848 160 V CB 1.256 33.091 31.823 0.021 0.000 0.990 160 V HN 0.329 nan 8.190 nan 0.000 0.430 161 I N 6.196 126.751 120.570 -0.026 0.000 2.307 161 I HA 0.371 4.541 4.170 -0.000 0.000 0.289 161 I C -0.377 175.707 176.117 -0.056 0.000 1.021 161 I CA -0.102 61.173 61.300 -0.042 0.000 1.224 161 I CB 1.297 39.257 38.000 -0.066 0.000 1.376 161 I HN 0.428 nan 8.210 nan 0.000 0.470 162 L N 6.867 128.060 121.223 -0.051 0.000 2.280 162 L HA 0.529 4.869 4.340 -0.000 0.000 0.287 162 L C -0.705 176.131 176.870 -0.055 0.000 1.023 162 L CA 0.042 54.832 54.840 -0.084 0.000 0.819 162 L CB 1.020 43.029 42.059 -0.084 0.000 1.212 162 L HN 0.445 nan 8.230 nan 0.000 0.420 163 D N 4.950 125.312 120.400 -0.063 0.000 2.460 163 D HA 0.419 5.059 4.640 -0.000 0.000 0.268 163 D C -0.742 175.557 176.300 -0.002 0.000 1.153 163 D CA -0.160 53.827 54.000 -0.022 0.000 0.929 163 D CB 0.407 41.198 40.800 -0.015 0.000 1.015 163 D HN 0.710 nan 8.370 nan 0.000 0.502 164 C N 0.707 120.020 119.300 0.021 0.000 3.336 164 C HA 0.994 5.454 4.460 -0.000 0.000 0.352 164 C C -0.390 174.649 174.990 0.082 0.000 1.567 164 C CA -0.607 58.454 59.018 0.072 0.000 1.328 164 C CB 1.248 29.066 27.740 0.130 0.000 1.922 164 C HN 0.472 nan 8.230 nan 0.000 0.439 165 S N -0.618 115.141 115.700 0.097 0.000 2.671 165 S HA 0.875 5.345 4.470 -0.000 0.000 0.277 165 S C 0.322 174.975 174.600 0.089 0.000 1.165 165 S CA 0.705 58.958 58.200 0.089 0.000 0.822 165 S CB 0.704 63.949 63.200 0.075 0.000 1.150 165 S HN 3.065 nan 8.310 nan 0.000 0.479 166 G N 1.532 110.381 108.800 0.082 0.000 2.596 166 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.295 166 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.295 166 G C 1.162 176.103 174.900 0.068 0.000 1.240 166 G CA 1.136 46.279 45.100 0.071 0.000 0.985 166 G HN 2.007 nan 8.290 nan 0.000 0.555 167 A N -1.527 121.326 122.820 0.055 0.000 1.972 167 A HA 0.093 4.413 4.320 -0.000 0.000 0.219 167 A C 2.699 180.319 177.584 0.060 0.000 1.169 167 A CA 3.535 55.600 52.037 0.047 0.000 0.635 167 A CB -1.019 18.001 19.000 0.033 0.000 0.810 167 A HN 2.184 nan 8.150 nan 0.000 0.446 168 T N -1.573 113.028 114.554 0.079 0.000 2.857 168 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 168 T C 1.790 176.582 174.700 0.154 0.000 1.048 168 T CA 1.486 63.655 62.100 0.116 0.000 1.139 168 T CB -0.359 68.590 68.868 0.134 0.000 0.874 168 T HN 0.207 nan 8.240 nan 0.000 0.455 169 L N 1.222 122.523 121.223 0.130 0.000 2.017 169 L HA 0.080 4.420 4.340 -0.000 0.000 0.208 169 L C 2.733 179.657 176.870 0.091 0.000 1.073 169 L CA 2.157 57.068 54.840 0.119 0.000 0.745 169 L CB -1.270 40.858 42.059 0.115 0.000 0.894 169 L HN 0.405 nan 8.230 nan 0.000 0.432 170 Q N -1.276 118.563 119.800 0.066 0.000 2.077 170 Q HA -0.245 4.095 4.340 -0.000 0.000 0.206 170 Q C 1.925 177.942 176.000 0.028 0.000 0.989 170 Q CA 2.736 58.555 55.803 0.026 0.000 0.853 170 Q CB -0.145 28.604 28.738 0.018 0.000 0.907 170 Q HN 0.597 nan 8.270 nan 0.000 0.418 171 T N -0.098 114.487 114.554 0.052 0.000 2.720 171 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 171 T C 1.797 176.538 174.700 0.069 0.000 1.037 171 T CA 1.437 63.570 62.100 0.056 0.000 1.144 171 T CB -0.228 68.679 68.868 0.066 0.000 0.864 171 T HN 0.111 nan 8.240 nan 0.000 0.444 172 V N 1.393 121.364 119.914 0.096 0.000 2.358 172 V HA -0.078 4.042 4.120 -0.000 0.000 0.246 172 V C 2.472 178.602 176.094 0.061 0.000 1.047 172 V CA 1.317 63.677 62.300 0.100 0.000 1.035 172 V CB -0.670 31.226 31.823 0.122 0.000 0.658 172 V HN 0.449 nan 8.190 nan 0.000 0.452 173 L N -0.217 121.028 121.223 0.037 0.000 2.042 173 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 173 L C 2.373 179.224 176.870 -0.032 0.000 1.076 173 L CA 1.714 56.550 54.840 -0.008 0.000 0.749 173 L CB -0.666 41.350 42.059 -0.072 0.000 0.893 173 L HN 0.377 nan 8.230 nan 0.000 0.432 174 E N 0.194 120.380 120.200 -0.023 0.000 2.478 174 E HA -0.100 4.250 4.350 -0.000 0.000 0.198 174 E C 0.439 177.030 176.600 -0.015 0.000 1.046 174 E CA 0.019 56.403 56.400 -0.026 0.000 0.870 174 E CB -0.154 29.536 29.700 -0.017 0.000 0.818 174 E HN 0.588 nan 8.360 nan 0.000 0.527 175 N N -0.185 118.515 118.700 0.001 0.000 2.443 175 N HA 0.112 4.851 4.740 -0.000 0.000 0.293 175 N C -1.875 173.603 175.510 -0.054 0.000 1.159 175 N CA -1.543 51.507 53.050 0.000 0.000 0.904 175 N CB 1.577 40.101 38.487 0.062 0.000 1.214 175 N HN -0.364 nan 8.380 nan 0.000 0.513 176 P HA -0.110 nan 4.420 nan 0.000 0.217 176 P C -0.538 176.539 177.300 -0.372 0.000 1.150 176 P CA 1.239 64.141 63.100 -0.330 0.000 0.832 176 P CB -0.111 31.253 31.700 -0.560 0.000 0.787 177 Y N 1.384 121.699 120.300 0.025 0.000 2.452 177 Y HA 0.197 4.746 4.550 -0.000 0.000 0.348 177 Y C 1.143 177.062 175.900 0.031 0.000 0.985 177 Y CA -0.410 57.707 58.100 0.027 0.000 1.214 177 Y CB 0.154 38.631 38.460 0.028 0.000 1.136 177 Y HN -0.232 nan 8.280 nan 0.000 0.523 178 K N 5.649 126.130 120.400 0.135 0.000 2.143 178 K HA 0.378 4.698 4.320 -0.000 0.000 0.272 178 K C -2.622 174.036 176.600 0.097 0.000 1.001 178 K CA -2.096 54.247 56.287 0.094 0.000 0.915 178 K CB 0.894 33.431 32.500 0.062 0.000 1.047 178 K HN 0.341 nan 8.250 nan 0.000 0.458 179 P HA 0.086 nan 4.420 nan 0.000 0.272 179 P C 0.246 177.592 177.300 0.078 0.000 1.223 179 P CA -0.119 63.020 63.100 0.065 0.000 0.784 179 P CB 0.551 32.279 31.700 0.046 0.000 0.923 180 T N -0.251 114.350 114.554 0.078 0.000 2.812 180 T HA 0.046 4.396 4.350 -0.000 0.000 0.264 180 T C 0.841 175.631 174.700 0.150 0.000 1.042 180 T CA 0.955 63.122 62.100 0.111 0.000 1.140 180 T CB -0.049 68.884 68.868 0.108 0.000 0.870 180 T HN 0.249 nan 8.240 nan 0.000 0.445 181 V N 2.759 122.733 119.914 0.100 0.000 2.588 181 V HA 0.595 4.715 4.120 -0.000 0.000 0.304 181 V C -0.376 175.751 176.094 0.055 0.000 1.042 181 V CA -1.339 61.018 62.300 0.096 0.000 0.877 181 V CB 1.828 33.648 31.823 -0.006 0.000 0.996 181 V HN 0.405 nan 8.190 nan 0.000 0.425 182 I N 1.672 122.282 120.570 0.067 0.000 2.957 182 I HA 0.811 4.981 4.170 -0.000 0.000 0.310 182 I C -0.386 175.742 176.117 0.018 0.000 1.063 182 I CA -1.072 60.254 61.300 0.043 0.000 1.033 182 I CB 2.468 40.514 38.000 0.078 0.000 1.230 182 I HN 0.735 nan 8.210 nan 0.000 0.447 183 K N 1.325 121.730 120.400 0.009 0.000 3.350 183 K HA 0.457 4.777 4.320 -0.000 0.000 0.167 183 K C -2.972 173.633 176.600 0.007 0.000 1.058 183 K CA -1.028 55.256 56.287 -0.005 0.000 0.783 183 K CB 0.221 32.706 32.500 -0.025 0.000 0.872 183 K HN 0.389 nan 8.250 nan 0.000 0.561 184 P HA 0.023 nan 4.420 nan 0.000 0.276 184 P C -0.776 176.537 177.300 0.021 0.000 1.230 184 P CA -0.259 62.856 63.100 0.025 0.000 0.776 184 P CB 0.773 32.493 31.700 0.033 0.000 0.888 185 N N 2.568 121.291 118.700 0.039 0.000 2.288 185 N HA -0.014 4.725 4.740 -0.000 0.000 0.237 185 N C 1.227 176.777 175.510 0.066 0.000 1.311 185 N CA -0.339 52.742 53.050 0.051 0.000 0.909 185 N CB 0.028 38.547 38.487 0.053 0.000 1.167 185 N HN 0.374 nan 8.380 nan 0.000 0.476 186 I N -1.054 119.572 120.570 0.093 0.000 2.286 186 I HA -0.273 3.897 4.170 -0.000 0.000 0.248 186 I C 1.998 178.243 176.117 0.212 0.000 1.115 186 I CA 1.330 62.717 61.300 0.144 0.000 1.392 186 I CB -0.251 37.852 38.000 0.172 0.000 1.065 186 I HN 0.744 nan 8.210 nan 0.000 0.418 187 S N 0.379 116.173 115.700 0.158 0.000 2.355 187 S HA -0.280 4.189 4.470 -0.000 0.000 0.222 187 S C 1.941 176.633 174.600 0.152 0.000 1.031 187 S CA 1.873 60.169 58.200 0.159 0.000 0.993 187 S CB -0.254 63.006 63.200 0.100 0.000 0.859 187 S HN 0.620 nan 8.310 nan 0.000 0.453 188 E N 0.369 120.636 120.200 0.111 0.000 2.058 188 E HA -0.188 4.161 4.350 -0.000 0.000 0.194 188 E C 2.094 178.760 176.600 0.110 0.000 0.997 188 E CA 1.479 57.940 56.400 0.102 0.000 0.801 188 E CB -0.471 29.279 29.700 0.083 0.000 0.746 188 E HN 0.438 nan 8.360 nan 0.000 0.450 189 L N 0.274 121.532 121.223 0.058 0.000 2.010 189 L HA -0.255 4.084 4.340 -0.000 0.000 0.219 189 L C 2.028 178.883 176.870 -0.024 0.000 1.077 189 L CA 2.016 56.831 54.840 -0.041 0.000 0.773 189 L CB -0.832 41.087 42.059 -0.234 0.000 0.892 189 L HN 0.322 nan 8.230 nan 0.000 0.436 190 Y N -0.802 119.561 120.300 0.106 0.000 2.395 190 Y HA -0.105 4.445 4.550 -0.000 0.000 0.293 190 Y C 2.625 178.582 175.900 0.094 0.000 1.123 190 Y CA 1.076 59.235 58.100 0.098 0.000 1.227 190 Y CB -0.159 38.338 38.460 0.061 0.000 1.012 190 Y HN 0.361 nan 8.280 nan 0.000 0.552 191 Q N -0.004 119.927 119.800 0.218 0.000 2.119 191 Q HA -0.162 4.178 4.340 -0.000 0.000 0.201 191 Q C 2.123 178.200 176.000 0.128 0.000 0.972 191 Q CA 1.327 57.219 55.803 0.149 0.000 0.847 191 Q CB -0.239 28.570 28.738 0.118 0.000 0.903 191 Q HN 0.519 nan 8.270 nan 0.000 0.433 192 L N 0.219 121.528 121.223 0.143 0.000 2.131 192 L HA -0.184 4.155 4.340 -0.000 0.000 0.210 192 L C 1.967 178.891 176.870 0.090 0.000 1.092 192 L CA 0.926 55.840 54.840 0.123 0.000 0.759 192 L CB -0.158 42.019 42.059 0.197 0.000 0.903 192 L HN 0.228 nan 8.230 nan 0.000 0.435 193 L N -0.982 120.323 121.223 0.137 0.000 2.558 193 L HA 0.066 4.406 4.340 -0.000 0.000 0.225 193 L C 0.516 177.450 176.870 0.105 0.000 1.128 193 L CA -0.053 54.857 54.840 0.116 0.000 0.868 193 L CB -0.170 41.994 42.059 0.174 0.000 1.006 193 L HN 0.329 nan 8.230 nan 0.000 0.454 194 N N 0.679 119.445 118.700 0.110 0.000 2.776 194 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 194 N C -0.169 175.402 175.510 0.102 0.000 1.112 194 N CA 0.886 53.990 53.050 0.090 0.000 0.733 194 N CB -1.005 37.518 38.487 0.059 0.000 1.097 194 N HN 0.536 nan 8.380 nan 0.000 0.558 195 Q N 0.257 120.151 119.800 0.157 0.000 2.257 195 Q HA 0.500 4.840 4.340 -0.000 0.000 0.262 195 Q C -2.129 173.933 176.000 0.103 0.000 0.997 195 Q CA -1.596 54.297 55.803 0.150 0.000 0.873 195 Q CB 1.582 30.468 28.738 0.246 0.000 1.312 195 Q HN 0.061 nan 8.270 nan 0.000 0.450 196 P HA -0.040 nan 4.420 nan 0.000 0.270 196 P C -0.685 176.438 177.300 -0.296 0.000 1.223 196 P CA -0.201 62.849 63.100 -0.084 0.000 0.785 196 P CB 0.648 32.297 31.700 -0.084 0.000 0.923 197 L N 1.774 122.812 121.223 -0.308 0.000 2.410 197 L HA 0.193 4.533 4.340 -0.000 0.000 0.273 197 L C -0.077 176.429 176.870 -0.607 0.000 1.144 197 L CA 0.464 54.969 54.840 -0.559 0.000 0.863 197 L CB -0.044 41.897 42.059 -0.197 0.000 1.140 197 L HN 0.260 nan 8.230 nan 0.000 0.463 198 D N 3.394 123.215 120.400 -0.964 0.000 2.575 198 D HA 0.175 4.815 4.640 -0.000 0.000 0.250 198 D C 0.259 176.428 176.300 -0.218 0.000 1.279 198 D CA -0.284 53.434 54.000 -0.469 0.000 0.925 198 D CB 1.325 41.896 40.800 -0.381 0.000 1.261 198 D HN 0.617 nan 8.370 nan 0.000 0.567 199 E N 0.834 120.960 120.200 -0.123 0.000 2.435 199 E HA 0.003 4.353 4.350 -0.000 0.000 0.195 199 E C 0.551 177.108 176.600 -0.072 0.000 1.029 199 E CA 0.114 56.480 56.400 -0.056 0.000 0.865 199 E CB 0.194 29.866 29.700 -0.047 0.000 0.833 199 E HN 0.501 nan 8.360 nan 0.000 0.510 200 S N 0.824 116.475 115.700 -0.081 0.000 2.560 200 S HA -0.010 4.460 4.470 -0.000 0.000 0.284 200 S C 1.112 175.626 174.600 -0.142 0.000 1.327 200 S CA -0.535 57.610 58.200 -0.093 0.000 1.055 200 S CB 1.313 64.467 63.200 -0.077 0.000 0.868 200 S HN 0.149 nan 8.310 nan 0.000 0.506 201 L N 2.785 123.909 121.223 -0.166 0.000 1.990 201 L HA -0.176 4.164 4.340 -0.000 0.000 0.213 201 L C 2.743 179.447 176.870 -0.277 0.000 1.072 201 L CA 2.563 57.248 54.840 -0.260 0.000 0.755 201 L CB -1.141 40.810 42.059 -0.181 0.000 0.889 201 L HN 1.001 nan 8.230 nan 0.000 0.432 202 E N -1.492 118.600 120.200 -0.180 0.000 2.097 202 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 202 E C 2.202 178.722 176.600 -0.133 0.000 1.000 202 E CA 1.649 57.954 56.400 -0.157 0.000 0.804 202 E CB -0.733 28.908 29.700 -0.099 0.000 0.740 202 E HN 0.523 nan 8.360 nan 0.000 0.454 203 S N 0.463 116.107 115.700 -0.093 0.000 2.383 203 S HA -0.043 4.427 4.470 -0.000 0.000 0.227 203 S C 2.049 176.654 174.600 0.009 0.000 1.026 203 S CA 0.661 58.858 58.200 -0.006 0.000 0.981 203 S CB -0.266 62.953 63.200 0.033 0.000 0.818 203 S HN 0.322 nan 8.310 nan 0.000 0.472 204 L N 0.980 122.124 121.223 -0.133 0.000 2.012 204 L HA -0.160 4.179 4.340 -0.000 0.000 0.210 204 L C 2.676 179.477 176.870 -0.115 0.000 1.073 204 L CA 1.602 56.282 54.840 -0.265 0.000 0.748 204 L CB -0.581 40.953 42.059 -0.876 0.000 0.891 204 L HN 0.316 nan 8.230 nan 0.000 0.431 205 K N -0.069 120.207 120.400 -0.207 0.000 2.044 205 K HA -0.238 4.082 4.320 -0.000 0.000 0.210 205 K C 2.158 178.806 176.600 0.081 0.000 1.049 205 K CA 1.886 58.100 56.287 -0.122 0.000 0.927 205 K CB -0.195 31.954 32.500 -0.586 0.000 0.713 205 K HN 0.532 nan 8.250 nan 0.000 0.443 206 Q N 0.193 120.012 119.800 0.032 0.000 2.172 206 Q HA -0.026 4.314 4.340 -0.000 0.000 0.200 206 Q C 2.165 178.242 176.000 0.129 0.000 0.964 206 Q CA 1.181 57.039 55.803 0.092 0.000 0.855 206 Q CB -0.258 28.518 28.738 0.065 0.000 0.918 206 Q HN 0.228 nan 8.270 nan 0.000 0.444 207 A N 2.482 125.357 122.820 0.092 0.000 1.865 207 A HA -0.153 4.167 4.320 -0.000 0.000 0.217 207 A C 2.409 180.043 177.584 0.084 0.000 1.191 207 A CA 2.260 54.325 52.037 0.046 0.000 0.623 207 A CB -1.025 17.841 19.000 -0.224 0.000 0.826 207 A HN 0.396 nan 8.150 nan 0.000 0.444 208 V N -3.298 116.646 119.914 0.051 0.000 3.141 208 V HA 0.003 4.123 4.120 -0.000 0.000 0.265 208 V C 1.652 177.850 176.094 0.173 0.000 1.126 208 V CA 2.090 64.369 62.300 -0.036 0.000 1.141 208 V CB -0.341 31.511 31.823 0.049 0.000 0.743 208 V HN 0.305 nan 8.190 nan 0.000 0.492 209 S N -0.661 115.188 115.700 0.249 0.000 2.556 209 S HA 0.190 4.660 4.470 -0.000 0.000 0.216 209 S C 0.852 175.586 174.600 0.223 0.000 0.970 209 S CA -0.237 58.109 58.200 0.244 0.000 0.912 209 S CB -0.189 63.169 63.200 0.264 0.000 0.790 209 S HN 0.638 nan 8.310 nan 0.000 0.504 210 Q N 1.548 121.511 119.800 0.272 0.000 2.432 210 Q HA 0.091 4.431 4.340 -0.000 0.000 0.264 210 Q C -1.681 174.401 176.000 0.137 0.000 1.035 210 Q CA -1.184 54.737 55.803 0.198 0.000 0.908 210 Q CB -0.298 28.561 28.738 0.202 0.000 1.280 210 Q HN 0.065 nan 8.270 nan 0.000 0.455 211 P HA -0.188 nan 4.420 nan 0.000 0.216 211 P C 1.418 178.673 177.300 -0.075 0.000 1.150 211 P CA 0.804 63.904 63.100 0.001 0.000 0.843 211 P CB 0.078 31.771 31.700 -0.012 0.000 0.787 212 L N -1.489 119.612 121.223 -0.203 0.000 2.089 212 L HA -0.172 4.168 4.340 -0.000 0.000 0.213 212 L C 1.643 178.222 176.870 -0.485 0.000 1.079 212 L CA 1.986 56.559 54.840 -0.444 0.000 0.758 212 L CB -1.130 40.470 42.059 -0.766 0.000 0.891 212 L HN -0.104 nan 8.230 nan 0.000 0.433 213 F N -0.768 119.192 119.950 0.017 0.000 2.727 213 F HA 0.244 4.771 4.527 -0.000 0.000 0.302 213 F C 1.165 176.966 175.800 0.003 0.000 1.097 213 F CA -0.599 57.409 58.000 0.015 0.000 1.330 213 F CB -0.676 38.337 39.000 0.021 0.000 1.084 213 F HN 0.070 nan 8.300 nan 0.000 0.578 214 E N 0.548 120.811 120.200 0.103 0.000 2.452 214 E HA 0.273 4.623 4.350 -0.000 0.000 0.261 214 E C 1.278 177.898 176.600 0.033 0.000 0.987 214 E CA 0.962 57.395 56.400 0.056 0.000 0.926 214 E CB 0.243 29.958 29.700 0.026 0.000 0.934 214 E HN 0.503 nan 8.360 nan 0.000 0.452 215 G N 3.861 112.666 108.800 0.009 0.000 2.176 215 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.232 215 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.232 215 G C 0.087 174.996 174.900 0.015 0.000 0.986 215 G CA 0.069 45.169 45.100 -0.001 0.000 0.643 215 G HN 0.524 nan 8.290 nan 0.000 0.522 216 I N 1.136 121.725 120.570 0.032 0.000 2.321 216 I HA 0.332 4.502 4.170 -0.000 0.000 0.291 216 I C 1.433 177.560 176.117 0.018 0.000 0.998 216 I CA -0.409 60.923 61.300 0.053 0.000 1.227 216 I CB 1.592 39.653 38.000 0.102 0.000 1.368 216 I HN 0.266 nan 8.210 nan 0.000 0.466 217 E N 5.320 125.546 120.200 0.043 0.000 2.023 217 E HA -0.143 4.207 4.350 -0.000 0.000 0.196 217 E C -0.342 176.247 176.600 -0.019 0.000 1.003 217 E CA 1.478 57.884 56.400 0.010 0.000 0.809 217 E CB 0.256 30.018 29.700 0.103 0.000 0.755 217 E HN 0.560 nan 8.360 nan 0.000 0.449 218 W N 0.226 121.538 121.300 0.021 0.000 2.532 218 W HA 0.479 5.138 4.660 -0.000 0.000 0.321 218 W C -0.944 175.537 176.519 -0.063 0.000 1.037 218 W CA -0.632 56.692 57.345 -0.036 0.000 1.220 218 W CB 1.181 30.576 29.460 -0.107 0.000 1.361 218 W HN -0.023 nan 8.180 nan 0.000 0.468 219 I N 5.833 126.510 120.570 0.179 0.000 2.382 219 I HA 0.369 4.538 4.170 -0.000 0.000 0.286 219 I C -0.493 175.654 176.117 0.051 0.000 1.002 219 I CA -0.779 60.550 61.300 0.049 0.000 1.135 219 I CB 0.903 38.853 38.000 -0.084 0.000 1.288 219 I HN 0.205 nan 8.210 nan 0.000 0.448 220 I N 7.105 127.694 120.570 0.033 0.000 2.382 220 I HA 0.336 4.506 4.170 -0.000 0.000 0.285 220 I C -0.528 175.587 176.117 -0.004 0.000 1.007 220 I CA -0.766 60.537 61.300 0.004 0.000 1.142 220 I CB 1.721 39.688 38.000 -0.055 0.000 1.289 220 I HN 0.196 nan 8.210 nan 0.000 0.453 221 V N 4.911 124.841 119.914 0.026 0.000 2.347 221 V HA 0.242 4.362 4.120 -0.000 0.000 0.280 221 V C 0.429 176.576 176.094 0.088 0.000 1.021 221 V CA -0.495 61.846 62.300 0.068 0.000 0.847 221 V CB 1.558 33.467 31.823 0.144 0.000 0.990 221 V HN 0.791 nan 8.190 nan 0.000 0.444 222 S N 4.582 120.317 115.700 0.058 0.000 2.528 222 S HA 0.434 4.903 4.470 -0.000 0.000 0.277 222 S C 0.685 175.327 174.600 0.069 0.000 1.297 222 S CA -0.421 57.810 58.200 0.053 0.000 1.052 222 S CB 0.570 63.789 63.200 0.031 0.000 0.917 222 S HN 0.600 nan 8.310 nan 0.000 0.492 223 L N 4.710 125.973 121.223 0.067 0.000 2.556 223 L HA 0.404 4.744 4.340 -0.000 0.000 0.226 223 L C 1.599 178.495 176.870 0.043 0.000 1.089 223 L CA 0.440 55.318 54.840 0.064 0.000 0.864 223 L CB -0.544 41.555 42.059 0.068 0.000 1.067 223 L HN 1.030 nan 8.230 nan 0.000 0.477 224 G N 0.093 108.914 108.800 0.034 0.000 2.659 224 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.214 224 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.214 224 G C 0.692 175.602 174.900 0.017 0.000 1.191 224 G CA 0.123 45.237 45.100 0.024 0.000 1.141 224 G HN 0.081 nan 8.290 nan 0.000 0.581 225 A N -0.390 122.439 122.820 0.014 0.000 2.067 225 A HA 0.122 4.442 4.320 -0.000 0.000 0.219 225 A C 2.213 179.803 177.584 0.009 0.000 1.158 225 A CA 2.510 54.553 52.037 0.009 0.000 0.661 225 A CB -0.421 18.584 19.000 0.008 0.000 0.801 225 A HN 0.684 nan 8.150 nan 0.000 0.452 226 Q N -1.278 118.531 119.800 0.015 0.000 2.167 226 Q HA 0.303 4.643 4.340 -0.000 0.000 0.202 226 Q C 1.352 177.364 176.000 0.020 0.000 0.970 226 Q CA 1.177 56.991 55.803 0.018 0.000 0.855 226 Q CB -0.072 28.681 28.738 0.025 0.000 0.911 226 Q HN 0.855 nan 8.270 nan 0.000 0.438 227 G N -0.833 107.979 108.800 0.021 0.000 2.545 227 G HA2 0.138 4.098 3.960 -0.000 0.000 0.211 227 G HA3 0.138 4.098 3.960 -0.000 0.000 0.211 227 G C -1.178 173.745 174.900 0.040 0.000 1.167 227 G CA -0.484 44.626 45.100 0.017 0.000 1.151 227 G HN 0.638 nan 8.290 nan 0.000 0.581 228 A N -1.038 121.816 122.820 0.057 0.000 2.566 228 A HA 0.868 5.188 4.320 -0.000 0.000 0.292 228 A C -1.458 176.239 177.584 0.189 0.000 1.112 228 A CA 0.136 52.231 52.037 0.096 0.000 0.707 228 A CB 1.791 20.815 19.000 0.040 0.000 1.302 228 A HN 2.134 nan 8.150 nan 0.000 0.409 229 F N 0.922 120.908 119.950 0.060 0.000 2.507 229 F HA 0.776 5.303 4.527 -0.000 0.000 0.325 229 F C -0.078 175.804 175.800 0.137 0.000 1.116 229 F CA -0.380 57.682 58.000 0.103 0.000 0.930 229 F CB 1.636 40.689 39.000 0.087 0.000 1.146 229 F HN 0.938 nan 8.300 nan 0.000 0.447 230 A N 6.015 128.525 122.820 -0.517 0.000 2.435 230 A HA 0.662 4.982 4.320 -0.000 0.000 0.304 230 A C -1.602 175.738 177.584 -0.407 0.000 1.064 230 A CA -0.932 50.931 52.037 -0.290 0.000 0.727 230 A CB 1.633 20.715 19.000 0.136 0.000 1.284 230 A HN 0.784 nan 8.150 nan 0.000 0.415 231 K N 1.461 121.689 120.400 -0.286 0.000 2.413 231 K HA 0.451 4.771 4.320 -0.000 0.000 0.257 231 K C -1.645 174.764 176.600 -0.319 0.000 0.946 231 K CA -0.494 55.552 56.287 -0.402 0.000 0.823 231 K CB 0.880 33.113 32.500 -0.445 0.000 1.109 231 K HN 0.873 nan 8.250 nan 0.000 0.427 232 H N 5.329 124.019 119.070 -0.634 0.000 2.718 232 H HA 0.339 4.895 4.556 -0.000 0.000 0.295 232 H C 0.029 174.952 175.328 -0.675 0.000 1.051 232 H CA 0.004 55.464 56.048 -0.980 0.000 1.260 232 H CB 0.066 28.926 29.762 -1.503 0.000 1.403 232 H HN 0.924 nan 8.280 nan 0.000 0.488 233 N N 2.285 120.622 118.700 -0.605 0.000 2.065 233 N HA -0.306 4.434 4.740 -0.000 0.000 0.169 233 N C 0.710 175.801 175.510 -0.699 0.000 0.608 233 N CA 1.918 54.590 53.050 -0.629 0.000 1.363 233 N CB -0.993 37.107 38.487 -0.645 0.000 1.390 233 N HN 0.723 nan 8.380 nan 0.000 0.417 234 H N 0.730 119.542 119.070 -0.430 0.000 2.648 234 H HA 0.228 4.784 4.556 -0.000 0.000 0.265 234 H C 0.023 175.030 175.328 -0.535 0.000 0.961 234 H CA 0.713 56.517 56.048 -0.408 0.000 1.185 234 H CB 0.301 29.930 29.762 -0.222 0.000 1.449 234 H HN 0.306 nan 8.280 nan 0.000 0.523 235 T N 2.267 116.550 114.554 -0.451 0.000 2.814 235 T HA 0.195 4.545 4.350 -0.000 0.000 0.297 235 T C -0.018 174.256 174.700 -0.710 0.000 0.956 235 T CA -0.069 61.737 62.100 -0.489 0.000 1.123 235 T CB 0.246 68.819 68.868 -0.491 0.000 0.902 235 T HN -0.087 nan 8.240 nan 0.000 0.528 236 F N 2.261 122.008 119.950 -0.338 0.000 2.399 236 F HA 0.544 5.071 4.527 -0.000 0.000 0.334 236 F C -0.068 175.502 175.800 -0.384 0.000 1.097 236 F CA -0.856 56.982 58.000 -0.270 0.000 1.076 236 F CB 0.923 39.933 39.000 0.017 0.000 1.162 236 F HN 0.471 nan 8.300 nan 0.000 0.495 237 Y N 0.891 121.235 120.300 0.074 0.000 2.499 237 Y HA 0.657 5.207 4.550 -0.000 0.000 0.347 237 Y C -0.391 175.589 175.900 0.132 0.000 0.987 237 Y CA -1.187 56.954 58.100 0.068 0.000 1.044 237 Y CB 1.977 40.443 38.460 0.010 0.000 1.245 237 Y HN 0.373 nan 8.280 nan 0.000 0.461 238 R N 1.389 122.077 120.500 0.313 0.000 2.480 238 R HA 0.717 5.057 4.340 -0.000 0.000 0.306 238 R C -2.147 174.231 176.300 0.130 0.000 0.958 238 R CA -0.881 55.366 56.100 0.246 0.000 0.861 238 R CB 1.601 32.028 30.300 0.211 0.000 1.171 238 R HN 0.543 nan 8.270 nan 0.000 0.445 239 V N 5.761 125.726 119.914 0.085 0.000 2.378 239 V HA 0.572 4.692 4.120 -0.000 0.000 0.288 239 V C -1.342 174.754 176.094 0.004 0.000 1.016 239 V CA -0.679 61.620 62.300 -0.000 0.000 0.840 239 V CB 1.610 33.400 31.823 -0.055 0.000 0.994 239 V HN 0.834 nan 8.190 nan 0.000 0.431 240 N N 7.339 126.031 118.700 -0.014 0.000 2.400 240 N HA 0.555 5.295 4.740 -0.000 0.000 0.288 240 N C -0.590 174.899 175.510 -0.036 0.000 1.024 240 N CA -0.207 52.837 53.050 -0.010 0.000 0.894 240 N CB 2.178 40.666 38.487 0.000 0.000 1.173 240 N HN 0.846 nan 8.380 nan 0.000 0.487 241 I N -0.995 119.557 120.570 -0.030 0.000 2.603 241 I HA 0.640 4.810 4.170 -0.000 0.000 0.300 241 I C -2.255 173.844 176.117 -0.029 0.000 1.017 241 I CA -2.141 59.133 61.300 -0.043 0.000 1.098 241 I CB 1.732 39.706 38.000 -0.043 0.000 1.279 241 I HN 0.192 nan 8.210 nan 0.000 0.437 242 P HA 0.115 nan 4.420 nan 0.000 0.271 242 P C -0.305 176.986 177.300 -0.014 0.000 1.244 242 P CA -0.086 63.002 63.100 -0.021 0.000 0.793 242 P CB 0.290 31.976 31.700 -0.023 0.000 0.984 243 T N 0.931 115.481 114.554 -0.008 0.000 2.897 243 T HA 0.500 4.850 4.350 -0.000 0.000 0.294 243 T C 0.587 175.286 174.700 -0.002 0.000 1.004 243 T CA -0.093 62.006 62.100 -0.003 0.000 1.106 243 T CB -0.103 68.765 68.868 -0.000 0.000 0.949 243 T HN 0.364 nan 8.240 nan 0.000 0.520 244 I N -1.518 119.053 120.570 0.001 0.000 3.042 244 I HA 0.660 4.829 4.170 -0.000 0.000 0.310 244 I C -0.349 175.773 176.117 0.008 0.000 1.117 244 I CA -1.083 60.220 61.300 0.005 0.000 1.003 244 I CB 2.236 40.239 38.000 0.005 0.000 1.228 244 I HN 0.296 nan 8.210 nan 0.000 0.443 245 S N 2.734 118.441 115.700 0.012 0.000 2.409 245 S HA 0.306 4.776 4.470 -0.000 0.000 0.308 245 S C -0.213 174.397 174.600 0.017 0.000 1.080 245 S CA -0.564 57.644 58.200 0.013 0.000 1.081 245 S CB 0.684 63.893 63.200 0.015 0.000 1.009 245 S HN 0.554 nan 8.310 nan 0.000 0.502 246 V N 6.343 126.266 119.914 0.016 0.000 2.488 246 V HA 0.290 4.410 4.120 -0.000 0.000 0.277 246 V C 0.311 176.416 176.094 0.019 0.000 1.046 246 V CA -0.095 62.216 62.300 0.019 0.000 0.986 246 V CB 0.609 32.442 31.823 0.016 0.000 0.989 246 V HN 0.742 nan 8.190 nan 0.000 0.475 247 L N 5.014 126.251 121.223 0.025 0.000 2.265 247 L HA 0.440 4.780 4.340 -0.000 0.000 0.195 247 L C 0.907 177.790 176.870 0.022 0.000 1.083 247 L CA 1.210 56.064 54.840 0.023 0.000 0.798 247 L CB -0.585 41.491 42.059 0.028 0.000 0.989 247 L HN 0.937 nan 8.230 nan 0.000 0.472 248 N N -0.425 118.293 118.700 0.029 0.000 2.549 248 N HA 0.243 4.982 4.740 -0.000 0.000 0.290 248 N C -2.393 173.137 175.510 0.033 0.000 1.122 248 N CA -1.088 51.979 53.050 0.028 0.000 0.885 248 N CB 1.828 40.332 38.487 0.028 0.000 1.455 248 N HN -0.200 nan 8.380 nan 0.000 0.521 249 P HA 0.004 nan 4.420 nan 0.000 0.231 249 P C -0.117 177.201 177.300 0.029 0.000 1.168 249 P CA 0.203 63.319 63.100 0.027 0.000 0.779 249 P CB 0.330 32.043 31.700 0.023 0.000 0.844 250 V N 1.140 121.072 119.914 0.030 0.000 2.617 250 V HA 0.248 4.368 4.120 -0.000 0.000 0.304 250 V C 1.856 177.972 176.094 0.037 0.000 1.040 250 V CA 1.692 64.011 62.300 0.032 0.000 1.149 250 V CB -0.643 31.198 31.823 0.030 0.000 0.914 250 V HN 0.521 nan 8.190 nan 0.000 0.487 251 G N 3.804 112.625 108.800 0.036 0.000 2.176 251 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.253 251 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.253 251 G C 1.022 175.941 174.900 0.033 0.000 0.979 251 G CA 0.510 45.633 45.100 0.038 0.000 0.641 251 G HN 0.694 nan 8.290 nan 0.000 0.530 252 S N 0.068 115.785 115.700 0.028 0.000 2.387 252 S HA 0.092 4.562 4.470 -0.000 0.000 0.226 252 S C 2.576 177.183 174.600 0.012 0.000 1.026 252 S CA 1.819 60.031 58.200 0.021 0.000 0.972 252 S CB -0.440 62.771 63.200 0.019 0.000 0.814 252 S HN 1.187 nan 8.310 nan 0.000 0.477 253 G N 2.199 111.007 108.800 0.013 0.000 2.446 253 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 253 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 253 G C 1.038 175.939 174.900 0.002 0.000 1.168 253 G CA 1.139 46.243 45.100 0.007 0.000 0.771 253 G HN 0.411 nan 8.290 nan 0.000 0.551 254 D N 0.799 121.206 120.400 0.012 0.000 2.123 254 D HA -0.090 4.550 4.640 -0.000 0.000 0.196 254 D C 2.844 179.145 176.300 0.002 0.000 0.992 254 D CA 1.419 55.425 54.000 0.011 0.000 0.833 254 D CB -0.428 40.387 40.800 0.025 0.000 0.954 254 D HN 0.278 nan 8.370 nan 0.000 0.455 255 S N 0.110 115.814 115.700 0.006 0.000 2.382 255 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 255 S C 2.137 176.729 174.600 -0.012 0.000 1.027 255 S CA 1.258 59.457 58.200 -0.000 0.000 0.991 255 S CB -0.330 62.875 63.200 0.007 0.000 0.823 255 S HN 0.311 nan 8.310 nan 0.000 0.469 256 T N 2.266 116.809 114.554 -0.018 0.000 2.708 256 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 256 T C 1.982 176.646 174.700 -0.060 0.000 1.037 256 T CA 1.246 63.322 62.100 -0.039 0.000 1.146 256 T CB -0.510 68.334 68.868 -0.041 0.000 0.865 256 T HN 0.196 nan 8.240 nan 0.000 0.435 257 V N 1.962 121.846 119.914 -0.050 0.000 2.324 257 V HA -0.241 3.879 4.120 -0.000 0.000 0.250 257 V C 2.912 178.968 176.094 -0.063 0.000 1.060 257 V CA 1.835 64.100 62.300 -0.060 0.000 1.042 257 V CB -1.293 30.507 31.823 -0.039 0.000 0.650 257 V HN 0.554 nan 8.190 nan 0.000 0.450 258 A N 0.398 123.191 122.820 -0.045 0.000 1.933 258 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 258 A C 2.415 179.964 177.584 -0.059 0.000 1.175 258 A CA 1.984 53.993 52.037 -0.047 0.000 0.628 258 A CB -1.162 17.819 19.000 -0.032 0.000 0.814 258 A HN 0.544 nan 8.150 nan 0.000 0.444 259 G N -0.026 108.744 108.800 -0.050 0.000 2.402 259 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.216 259 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.216 259 G C 1.532 176.373 174.900 -0.097 0.000 1.162 259 G CA 1.048 46.122 45.100 -0.044 0.000 0.777 259 G HN 0.471 nan 8.290 nan 0.000 0.539 260 I N 1.030 121.515 120.570 -0.141 0.000 2.179 260 I HA -0.181 3.988 4.170 -0.000 0.000 0.242 260 I C 2.953 178.953 176.117 -0.196 0.000 1.088 260 I CA 1.623 62.789 61.300 -0.223 0.000 1.357 260 I CB -0.571 37.281 38.000 -0.247 0.000 1.051 260 I HN 0.109 nan 8.210 nan 0.000 0.409 261 T N -0.592 113.876 114.554 -0.144 0.000 2.867 261 T HA -0.166 4.184 4.350 -0.000 0.000 0.268 261 T C 2.065 176.685 174.700 -0.133 0.000 1.057 261 T CA 1.574 63.597 62.100 -0.130 0.000 1.136 261 T CB -0.231 68.578 68.868 -0.099 0.000 0.874 261 T HN 0.314 nan 8.240 nan 0.000 0.466 262 S N 1.147 116.778 115.700 -0.115 0.000 2.368 262 S HA -0.063 4.407 4.470 -0.000 0.000 0.225 262 S C 2.400 176.935 174.600 -0.107 0.000 1.030 262 S CA 1.257 59.392 58.200 -0.107 0.000 0.999 262 S CB -0.524 62.626 63.200 -0.083 0.000 0.844 262 S HN 0.531 nan 8.310 nan 0.000 0.459 263 A N 1.845 124.598 122.820 -0.112 0.000 1.898 263 A HA 0.043 4.362 4.320 -0.000 0.000 0.216 263 A C 2.092 179.598 177.584 -0.131 0.000 1.181 263 A CA 1.347 53.321 52.037 -0.105 0.000 0.620 263 A CB -0.631 18.289 19.000 -0.134 0.000 0.819 263 A HN 0.570 nan 8.150 nan 0.000 0.442 264 I N -0.499 119.968 120.570 -0.172 0.000 2.179 264 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 264 I C 2.469 178.411 176.117 -0.292 0.000 1.088 264 I CA 1.352 62.540 61.300 -0.187 0.000 1.357 264 I CB -1.388 36.519 38.000 -0.156 0.000 1.051 264 I HN 0.377 nan 8.210 nan 0.000 0.409 265 L N 1.507 122.581 121.223 -0.247 0.000 2.081 265 L HA -0.181 4.159 4.340 -0.000 0.000 0.212 265 L C 1.821 178.554 176.870 -0.228 0.000 1.080 265 L CA 1.952 56.622 54.840 -0.284 0.000 0.754 265 L CB -0.666 41.224 42.059 -0.282 0.000 0.893 265 L HN 0.277 nan 8.230 nan 0.000 0.433 266 N N -1.212 117.415 118.700 -0.122 0.000 2.280 266 N HA -0.014 4.725 4.740 -0.000 0.000 0.192 266 N C -0.398 175.172 175.510 0.100 0.000 1.109 266 N CA 0.244 53.321 53.050 0.046 0.000 0.855 266 N CB -0.093 38.426 38.487 0.053 0.000 0.974 266 N HN 0.467 nan 8.380 nan 0.000 0.482 267 H N 0.252 119.355 119.070 0.055 0.000 2.692 267 H HA -0.132 4.424 4.556 -0.000 0.000 0.316 267 H C -0.366 174.998 175.328 0.060 0.000 1.176 267 H CA 0.681 56.765 56.048 0.060 0.000 1.142 267 H CB -1.892 27.908 29.762 0.063 0.000 1.475 267 H HN 0.453 nan 8.280 nan 0.000 0.423 268 E N 1.055 121.320 120.200 0.107 0.000 2.349 268 E HA 0.131 4.481 4.350 -0.000 0.000 0.265 268 E C 0.938 177.612 176.600 0.123 0.000 1.064 268 E CA -0.485 55.975 56.400 0.100 0.000 0.886 268 E CB 0.732 30.469 29.700 0.062 0.000 1.036 268 E HN 0.543 nan 8.360 nan 0.000 0.413 269 N N 1.046 119.825 118.700 0.132 0.000 2.297 269 N HA -0.079 4.661 4.740 -0.000 0.000 0.232 269 N C -0.044 175.574 175.510 0.180 0.000 1.311 269 N CA -0.088 53.060 53.050 0.163 0.000 0.897 269 N CB 0.477 39.045 38.487 0.135 0.000 1.137 269 N HN 0.266 nan 8.380 nan 0.000 0.449 270 D N -1.038 119.517 120.400 0.259 0.000 2.144 270 D HA -0.134 4.505 4.640 -0.000 0.000 0.199 270 D C 1.332 177.647 176.300 0.026 0.000 0.984 270 D CA 1.539 55.690 54.000 0.251 0.000 0.834 270 D CB -0.373 40.615 40.800 0.314 0.000 0.955 270 D HN 0.598 nan 8.370 nan 0.000 0.465 271 H N 0.387 119.411 119.070 -0.076 0.000 2.299 271 H HA -0.034 4.522 4.556 -0.000 0.000 0.302 271 H C 1.550 176.826 175.328 -0.086 0.000 1.078 271 H CA 1.330 57.310 56.048 -0.114 0.000 1.323 271 H CB -0.349 29.387 29.762 -0.043 0.000 1.381 271 H HN 0.039 nan 8.280 nan 0.000 0.498 272 D N 0.131 120.620 120.400 0.148 0.000 2.133 272 D HA -0.147 4.493 4.640 -0.000 0.000 0.195 272 D C 2.300 178.656 176.300 0.094 0.000 0.997 272 D CA 0.796 54.907 54.000 0.185 0.000 0.840 272 D CB -0.418 40.496 40.800 0.190 0.000 0.947 272 D HN 0.244 nan 8.370 nan 0.000 0.452 273 L N -0.082 121.124 121.223 -0.029 0.000 1.994 273 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 273 L C 2.112 178.832 176.870 -0.249 0.000 1.071 273 L CA 1.232 55.965 54.840 -0.178 0.000 0.745 273 L CB -0.152 41.696 42.059 -0.352 0.000 0.892 273 L HN 0.041 nan 8.230 nan 0.000 0.431 274 L N -0.443 120.597 121.223 -0.305 0.000 2.141 274 L HA -0.191 4.148 4.340 -0.000 0.000 0.209 274 L C 2.595 179.331 176.870 -0.224 0.000 1.094 274 L CA 1.220 55.876 54.840 -0.308 0.000 0.763 274 L CB -0.402 41.454 42.059 -0.339 0.000 0.908 274 L HN 0.222 nan 8.230 nan 0.000 0.437 275 K N 0.004 120.273 120.400 -0.219 0.000 2.031 275 K HA -0.185 4.135 4.320 -0.000 0.000 0.205 275 K C 2.159 178.718 176.600 -0.067 0.000 1.049 275 K CA 1.084 57.190 56.287 -0.300 0.000 0.939 275 K CB -0.068 32.000 32.500 -0.719 0.000 0.717 275 K HN 0.120 nan 8.250 nan 0.000 0.438 276 K N 1.106 121.609 120.400 0.172 0.000 2.032 276 K HA -0.176 4.144 4.320 -0.000 0.000 0.209 276 K C 2.140 178.796 176.600 0.093 0.000 1.048 276 K CA 1.384 57.835 56.287 0.273 0.000 0.927 276 K CB -0.155 32.497 32.500 0.253 0.000 0.712 276 K HN 0.122 nan 8.250 nan 0.000 0.441 277 A N 1.902 124.706 122.820 -0.028 0.000 1.859 277 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 277 A C 1.915 179.466 177.584 -0.056 0.000 1.198 277 A CA 2.026 54.018 52.037 -0.075 0.000 0.629 277 A CB -0.896 18.006 19.000 -0.164 0.000 0.830 277 A HN 0.476 nan 8.150 nan 0.000 0.446 278 N N -0.901 117.752 118.700 -0.080 0.000 2.244 278 N HA -0.100 4.639 4.740 -0.000 0.000 0.183 278 N C 1.700 177.174 175.510 -0.060 0.000 1.016 278 N CA 1.713 54.719 53.050 -0.072 0.000 0.866 278 N CB -0.336 38.093 38.487 -0.096 0.000 0.980 278 N HN 0.527 nan 8.380 nan 0.000 0.430 279 T N 1.805 116.321 114.554 -0.064 0.000 2.708 279 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 279 T C 1.987 176.681 174.700 -0.010 0.000 1.037 279 T CA 0.640 62.690 62.100 -0.085 0.000 1.146 279 T CB -0.124 68.617 68.868 -0.211 0.000 0.865 279 T HN 0.016 nan 8.240 nan 0.000 0.435 280 L N 0.956 122.211 121.223 0.054 0.000 2.046 280 L HA 0.175 4.515 4.340 -0.000 0.000 0.208 280 L C 1.931 178.813 176.870 0.020 0.000 1.077 280 L CA 0.942 55.819 54.840 0.061 0.000 0.747 280 L CB -1.650 40.446 42.059 0.062 0.000 0.896 280 L HN 0.275 nan 8.230 nan 0.000 0.432 284 N N 1.690 120.407 118.700 0.028 0.000 2.043 284 N HA -0.162 4.578 4.740 -0.000 0.000 0.193 284 N C 1.642 177.188 175.510 0.061 0.000 1.037 284 N CA 2.175 55.256 53.050 0.052 0.000 0.851 284 N CB 0.003 38.516 38.487 0.043 0.000 1.027 284 N HN 0.404 nan 8.380 nan 0.000 0.422 285 A N -0.134 122.710 122.820 0.041 0.000 2.076 285 A HA -0.143 4.177 4.320 -0.000 0.000 0.220 285 A C 1.927 179.535 177.584 0.040 0.000 1.160 285 A CA 1.228 53.286 52.037 0.037 0.000 0.653 285 A CB -0.479 18.536 19.000 0.024 0.000 0.801 285 A HN 0.555 nan 8.150 nan 0.000 0.455 286 Q N -0.328 119.498 119.800 0.045 0.000 2.444 286 Q HA 0.024 4.364 4.340 -0.000 0.000 0.206 286 Q C -0.300 175.741 176.000 0.068 0.000 0.948 286 Q CA 0.273 56.104 55.803 0.048 0.000 0.946 286 Q CB 0.242 29.006 28.738 0.043 0.000 1.027 286 Q HN 0.549 nan 8.270 nan 0.000 0.513 287 E N -0.574 119.680 120.200 0.091 0.000 2.214 287 E HA 0.278 4.628 4.350 -0.000 0.000 0.274 287 E C 0.130 176.775 176.600 0.076 0.000 0.977 287 E CA -0.212 56.260 56.400 0.120 0.000 0.827 287 E CB 1.563 31.407 29.700 0.240 0.000 1.130 287 E HN 0.035 nan 8.360 nan 0.000 0.394 288 A N 2.855 125.703 122.820 0.047 0.000 1.930 288 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 288 A C 1.012 178.606 177.584 0.016 0.000 1.175 288 A CA 1.039 53.087 52.037 0.020 0.000 0.627 288 A CB -0.119 18.880 19.000 -0.002 0.000 0.815 288 A HN 0.585 nan 8.150 nan 0.000 0.443 289 Q N -0.427 119.377 119.800 0.008 0.000 2.417 289 Q HA 0.351 4.691 4.340 -0.000 0.000 0.241 289 Q C 0.036 176.081 176.000 0.076 0.000 1.008 289 Q CA 0.251 56.057 55.803 0.006 0.000 0.901 289 Q CB 0.642 29.323 28.738 -0.094 0.000 1.259 289 Q HN 0.309 nan 8.270 nan 0.000 0.489 290 T N -0.194 114.400 114.554 0.067 0.000 2.767 290 T HA 0.491 4.840 4.350 -0.000 0.000 0.284 290 T C 0.339 175.098 174.700 0.099 0.000 0.973 290 T CA 0.294 62.438 62.100 0.075 0.000 0.996 290 T CB 0.366 69.263 68.868 0.049 0.000 0.927 290 T HN 0.830 nan 8.240 nan 0.000 0.456 291 G N 3.486 112.344 108.800 0.098 0.000 2.333 291 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.296 291 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.296 291 G C -0.493 174.503 174.900 0.160 0.000 1.059 291 G CA 0.584 45.741 45.100 0.096 0.000 1.050 291 G HN 1.119 nan 8.290 nan 0.000 0.508 292 Y N -0.536 119.775 120.300 0.020 0.000 2.479 292 Y HA 0.576 5.126 4.550 -0.000 0.000 0.338 292 Y C -0.291 175.623 175.900 0.024 0.000 1.055 292 Y CA -0.611 57.501 58.100 0.020 0.000 1.023 292 Y CB 2.167 40.638 38.460 0.018 0.000 1.287 292 Y HN 0.918 nan 8.280 nan 0.000 0.447 293 V N 2.618 122.077 119.914 -0.759 0.000 2.789 293 V HA 0.604 4.724 4.120 -0.000 0.000 0.311 293 V C -1.284 174.443 176.094 -0.613 0.000 1.073 293 V CA -0.915 61.107 62.300 -0.464 0.000 0.921 293 V CB 1.919 33.619 31.823 -0.204 0.000 1.009 293 V HN 0.849 nan 8.190 nan 0.000 0.426 294 N N 3.119 121.681 118.700 -0.230 0.000 2.500 294 N HA 0.423 5.163 4.740 -0.000 0.000 0.236 294 N C 0.532 176.020 175.510 -0.037 0.000 1.022 294 N CA -0.466 52.523 53.050 -0.102 0.000 0.935 294 N CB 0.947 39.456 38.487 0.036 0.000 1.147 294 N HN 0.863 nan 8.380 nan 0.000 0.512 295 L N 2.611 123.800 121.223 -0.058 0.000 2.376 295 L HA -0.012 4.328 4.340 -0.000 0.000 0.219 295 L C 1.465 178.356 176.870 0.034 0.000 1.133 295 L CA 0.557 55.389 54.840 -0.012 0.000 0.816 295 L CB -0.234 41.765 42.059 -0.100 0.000 0.933 295 L HN 0.558 nan 8.230 nan 0.000 0.449 296 N N 0.259 118.973 118.700 0.023 0.000 2.289 296 N HA -0.159 4.581 4.740 -0.000 0.000 0.184 296 N C 1.143 176.688 175.510 0.059 0.000 1.016 296 N CA 0.891 53.961 53.050 0.034 0.000 0.872 296 N CB -0.007 38.496 38.487 0.027 0.000 0.973 296 N HN 0.348 nan 8.380 nan 0.000 0.433 297 N N -0.307 118.434 118.700 0.068 0.000 2.336 297 N HA -0.046 4.694 4.740 -0.000 0.000 0.189 297 N C 0.882 176.447 175.510 0.091 0.000 1.113 297 N CA 0.038 53.128 53.050 0.066 0.000 0.858 297 N CB -0.085 38.431 38.487 0.048 0.000 0.970 297 N HN 0.364 nan 8.380 nan 0.000 0.471 298 Y N 2.330 122.625 120.300 -0.008 0.000 2.030 298 Y HA -0.277 4.272 4.550 -0.000 0.000 0.274 298 Y C 1.666 177.591 175.900 0.041 0.000 1.153 298 Y CA 1.928 60.028 58.100 0.001 0.000 1.115 298 Y CB -0.133 38.296 38.460 -0.053 0.000 0.969 298 Y HN -0.030 nan 8.280 nan 0.000 0.488 299 D N 0.124 120.642 120.400 0.197 0.000 2.133 299 D HA -0.204 4.436 4.640 -0.000 0.000 0.195 299 D C 1.821 178.172 176.300 0.085 0.000 0.997 299 D CA 1.744 55.818 54.000 0.124 0.000 0.840 299 D CB -0.458 40.407 40.800 0.109 0.000 0.947 299 D HN 0.492 nan 8.370 nan 0.000 0.452 300 D N -0.231 120.203 120.400 0.056 0.000 2.144 300 D HA -0.098 4.542 4.640 -0.000 0.000 0.200 300 D C 2.156 178.466 176.300 0.016 0.000 0.978 300 D CA 0.372 54.395 54.000 0.039 0.000 0.833 300 D CB 0.030 40.848 40.800 0.030 0.000 0.961 300 D HN 0.110 nan 8.370 nan 0.000 0.470 301 L N -0.027 121.188 121.223 -0.012 0.000 2.044 301 L HA -0.044 4.296 4.340 -0.000 0.000 0.205 301 L C 2.184 179.012 176.870 -0.069 0.000 1.075 301 L CA 0.954 55.765 54.840 -0.047 0.000 0.747 301 L CB -1.050 40.968 42.059 -0.068 0.000 0.903 301 L HN -0.013 nan 8.230 nan 0.000 0.435 302 F N 0.979 120.757 119.950 -0.286 0.000 2.091 302 F HA -0.290 4.237 4.527 -0.000 0.000 0.299 302 F C 2.085 177.802 175.800 -0.139 0.000 1.103 302 F CA 1.650 59.470 58.000 -0.300 0.000 1.228 302 F CB -0.199 38.521 39.000 -0.466 0.000 0.984 302 F HN 0.234 nan 8.300 nan 0.000 0.477 303 N N 0.246 119.014 118.700 0.114 0.000 2.571 303 N HA -0.076 4.664 4.740 -0.000 0.000 0.189 303 N C 1.040 176.539 175.510 -0.019 0.000 1.154 303 N CA 0.683 53.772 53.050 0.065 0.000 0.907 303 N CB -0.117 38.436 38.487 0.110 0.000 0.977 303 N HN 0.597 nan 8.380 nan 0.000 0.449 304 Q N -0.524 119.239 119.800 -0.062 0.000 2.214 304 Q HA 0.302 4.642 4.340 -0.000 0.000 0.229 304 Q C -0.079 175.868 176.000 -0.088 0.000 0.835 304 Q CA -0.146 55.623 55.803 -0.056 0.000 0.953 304 Q CB 1.255 29.971 28.738 -0.037 0.000 1.131 304 Q HN 0.273 nan 8.270 nan 0.000 0.501 305 I N 2.814 123.290 120.570 -0.156 0.000 2.474 305 I HA 0.026 4.195 4.170 -0.000 0.000 0.287 305 I C 0.320 176.344 176.117 -0.154 0.000 1.048 305 I CA 0.031 61.227 61.300 -0.173 0.000 1.383 305 I CB 0.730 38.570 38.000 -0.268 0.000 1.412 305 I HN 0.102 nan 8.210 nan 0.000 0.531 306 E N 6.198 126.337 120.200 -0.101 0.000 2.199 306 E HA 0.583 4.933 4.350 -0.000 0.000 0.269 306 E C -1.630 174.925 176.600 -0.075 0.000 0.899 306 E CA -0.809 55.552 56.400 -0.065 0.000 0.772 306 E CB 2.269 31.958 29.700 -0.020 0.000 1.155 306 E HN 0.265 nan 8.360 nan 0.000 0.408 307 V N 4.618 124.476 119.914 -0.092 0.000 2.417 307 V HA 0.362 4.482 4.120 -0.000 0.000 0.291 307 V C -0.300 175.787 176.094 -0.012 0.000 1.024 307 V CA -0.703 61.504 62.300 -0.155 0.000 0.861 307 V CB 1.067 32.583 31.823 -0.513 0.000 0.985 307 V HN 0.635 nan 8.190 nan 0.000 0.436 308 L N 4.116 125.395 121.223 0.093 0.000 2.356 308 L HA 0.553 4.893 4.340 -0.000 0.000 0.277 308 L C 0.164 177.165 176.870 0.219 0.000 0.996 308 L CA -0.620 54.316 54.840 0.159 0.000 0.822 308 L CB 2.021 44.148 42.059 0.114 0.000 1.256 308 L HN 0.580 nan 8.230 nan 0.000 0.413 309 E N 3.000 123.320 120.200 0.199 0.000 2.366 309 E HA 0.288 4.637 4.350 -0.000 0.000 0.266 309 E C -0.380 176.261 176.600 0.068 0.000 1.015 309 E CA -0.107 56.321 56.400 0.048 0.000 0.906 309 E CB 1.368 31.073 29.700 0.008 0.000 0.979 309 E HN 0.422 nan 8.360 nan 0.000 0.443 310 V N 0.000 119.965 119.914 0.085 0.000 2.409 310 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 310 V CA 0.000 62.367 62.300 0.112 0.000 1.235 310 V CB 0.000 31.915 31.823 0.154 0.000 1.184 310 V HN 0.000 nan 8.190 nan 0.000 0.556