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 3cpr_1_B DATA FIRST_RESID 3 DATA SEQUENCE ITSTGLTAKT GVEHFGTVGV AMVTPFTESG DIDIAAGREV AAYLVDKGLD DATA SEQUENCE SLVLAGTTGE SPTTTAAEKL ELLKAVREEV GDRAKLIAGV GTNNTRTSVE DATA SEQUENCE LAEAAASAGA DGLLVVTPYY SKPSQEGLLA HFGAIAAATE VPICLYDIPG DATA SEQUENCE RSGIPIESDT MRRLSELPTI LAVXDAKGDL VAATSLIKET GLAWYSGDDP DATA SEQUENCE LNLVWLALGG SGFISVIGHA APTALRELYT SFEEGDLVRA REINAKLSPL DATA SEQUENCE VAAQGRLGGV SLAKAALRLQ GINVGDPRLP IMAPNEQELE ALREDMKKAG DATA SEQUENCE VL 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.118 176.117 0.001 0.000 1.063 3 I CA 0.000 61.300 61.300 0.000 0.000 1.566 3 I CB 0.000 38.000 38.000 -0.001 0.000 1.214 4 T N 5.036 119.592 114.554 0.002 0.000 3.291 4 T HA 0.604 4.953 4.350 -0.000 0.000 0.344 4 T C -1.173 173.529 174.700 0.004 0.000 1.293 4 T CA -0.558 61.544 62.100 0.004 0.000 1.108 4 T CB 1.566 70.437 68.868 0.004 0.000 1.231 4 T HN 0.597 nan 8.240 nan 0.000 0.474 5 S N 1.444 117.147 115.700 0.006 0.000 2.542 5 S HA 0.450 4.920 4.470 -0.000 0.000 0.245 5 S C -0.051 174.554 174.600 0.008 0.000 1.325 5 S CA -0.802 57.401 58.200 0.005 0.000 1.176 5 S CB 0.533 63.736 63.200 0.005 0.000 1.045 5 S HN 0.566 nan 8.310 nan 0.000 0.481 6 T N 3.586 118.142 114.554 0.004 0.000 2.799 6 T HA 0.474 4.824 4.350 -0.000 0.000 0.296 6 T C 1.054 175.752 174.700 -0.003 0.000 0.947 6 T CA 0.061 62.165 62.100 0.006 0.000 1.141 6 T CB 0.610 69.480 68.868 0.004 0.000 0.891 6 T HN 0.792 nan 8.240 nan 0.000 0.533 7 G N 1.483 110.284 108.800 0.002 0.000 2.531 7 G HA2 0.479 4.438 3.960 -0.000 0.000 0.281 7 G HA3 0.479 4.438 3.960 -0.000 0.000 0.281 7 G C 0.825 175.707 174.900 -0.030 0.000 1.382 7 G CA -0.862 44.226 45.100 -0.020 0.000 1.045 7 G HN 0.716 nan 8.290 nan 0.000 0.533 8 L N -0.264 120.913 121.223 -0.076 0.000 2.509 8 L HA 0.128 4.468 4.340 -0.000 0.000 0.222 8 L C 0.881 177.811 176.870 0.099 0.000 1.123 8 L CA 0.486 55.273 54.840 -0.088 0.000 0.856 8 L CB -0.354 41.489 42.059 -0.360 0.000 0.985 8 L HN 0.274 nan 8.230 nan 0.000 0.456 9 T N 1.038 115.664 114.554 0.119 0.000 2.845 9 T HA 0.515 4.865 4.350 -0.000 0.000 0.288 9 T C 0.418 175.177 174.700 0.098 0.000 0.980 9 T CA -0.556 61.640 62.100 0.160 0.000 1.071 9 T CB 1.834 70.702 68.868 -0.001 0.000 0.941 9 T HN 0.199 nan 8.240 nan 0.000 0.487 10 A N 2.935 125.805 122.820 0.082 0.000 2.498 10 A HA 0.264 4.584 4.320 -0.000 0.000 0.239 10 A C 1.119 178.736 177.584 0.055 0.000 1.068 10 A CA -0.161 51.909 52.037 0.055 0.000 0.766 10 A CB 0.211 19.232 19.000 0.033 0.000 1.003 10 A HN 0.680 nan 8.150 nan 0.000 0.497 11 K N 1.228 121.662 120.400 0.055 0.000 2.358 11 K HA 0.087 4.407 4.320 -0.000 0.000 0.197 11 K C 0.223 176.859 176.600 0.060 0.000 1.025 11 K CA 0.236 56.561 56.287 0.062 0.000 1.104 11 K CB -0.233 32.302 32.500 0.058 0.000 0.855 11 K HN 0.740 nan 8.250 nan 0.000 0.531 12 T N 1.093 115.681 114.554 0.056 0.000 2.849 12 T HA 0.101 4.450 4.350 -0.000 0.000 0.289 12 T C 1.240 176.022 174.700 0.137 0.000 1.010 12 T CA 1.158 63.308 62.100 0.083 0.000 1.161 12 T CB 0.291 69.205 68.868 0.077 0.000 0.989 12 T HN 0.559 nan 8.240 nan 0.000 0.523 13 G N 1.969 110.891 108.800 0.203 0.000 2.200 13 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.268 13 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.268 13 G C 1.070 176.190 174.900 0.366 0.000 0.986 13 G CA 0.704 46.022 45.100 0.363 0.000 0.677 13 G HN 1.310 nan 8.290 nan 0.000 0.532 14 V N -2.675 117.363 119.914 0.206 0.000 3.078 14 V HA 0.113 4.233 4.120 -0.000 0.000 0.265 14 V C 1.997 178.094 176.094 0.005 0.000 1.122 14 V CA 2.137 64.535 62.300 0.163 0.000 1.141 14 V CB -0.067 31.808 31.823 0.087 0.000 0.735 14 V HN 0.306 nan 8.190 nan 0.000 0.498 15 E N 0.039 120.165 120.200 -0.124 0.000 2.511 15 E HA -0.008 4.342 4.350 -0.000 0.000 0.196 15 E C 1.596 177.881 176.600 -0.526 0.000 1.066 15 E CA 0.755 56.963 56.400 -0.319 0.000 0.871 15 E CB -0.127 29.334 29.700 -0.399 0.000 0.863 15 E HN 0.824 nan 8.360 nan 0.000 0.520 16 H N -2.097 116.843 119.070 -0.217 0.000 2.735 16 H HA 0.169 4.725 4.556 -0.000 0.000 0.250 16 H C 0.863 175.738 175.328 -0.755 0.000 0.948 16 H CA 0.332 56.039 56.048 -0.569 0.000 1.137 16 H CB 0.214 29.433 29.762 -0.906 0.000 1.440 16 H HN 0.097 nan 8.280 nan 0.000 0.444 17 F N 0.645 120.617 119.950 0.038 0.000 2.706 17 F HA 0.411 4.938 4.527 -0.000 0.000 0.313 17 F C 1.538 177.244 175.800 -0.156 0.000 1.096 17 F CA 0.337 58.253 58.000 -0.140 0.000 1.219 17 F CB 0.915 39.694 39.000 -0.368 0.000 1.051 17 F HN 0.238 nan 8.300 nan 0.000 0.568 18 G N 1.331 110.171 108.800 0.068 0.000 2.593 18 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.237 18 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.237 18 G C 0.703 175.648 174.900 0.074 0.000 1.312 18 G CA 0.409 45.516 45.100 0.010 0.000 0.896 18 G HN 0.380 nan 8.290 nan 0.000 0.574 19 T N -4.399 110.099 114.554 -0.094 0.000 3.232 19 T HA 0.497 4.847 4.350 -0.000 0.000 0.259 19 T C 0.586 175.067 174.700 -0.365 0.000 0.987 19 T CA 1.110 63.051 62.100 -0.265 0.000 1.096 19 T CB 0.315 68.751 68.868 -0.719 0.000 1.131 19 T HN 1.458 nan 8.240 nan 0.000 0.445 20 V N 1.967 121.681 119.914 -0.333 0.000 2.376 20 V HA 0.821 4.941 4.120 -0.000 0.000 0.287 20 V C 0.325 176.381 176.094 -0.063 0.000 1.015 20 V CA -0.183 62.011 62.300 -0.176 0.000 0.834 20 V CB 0.705 32.445 31.823 -0.139 0.000 1.001 20 V HN 0.882 nan 8.190 nan 0.000 0.428 21 G N 2.946 111.746 108.800 0.000 0.000 2.727 21 G HA2 0.838 4.798 3.960 -0.000 0.000 0.289 21 G HA3 0.838 4.798 3.960 -0.000 0.000 0.289 21 G C -1.241 173.645 174.900 -0.024 0.000 1.418 21 G CA -0.232 44.845 45.100 -0.038 0.000 0.818 21 G HN 1.082 nan 8.290 nan 0.000 0.486 22 V N -3.356 116.506 119.914 -0.088 0.000 3.078 22 V HA 0.892 5.012 4.120 -0.000 0.000 0.311 22 V C 0.134 176.175 176.094 -0.087 0.000 1.138 22 V CA -0.772 61.462 62.300 -0.110 0.000 1.007 22 V CB 1.573 33.203 31.823 -0.322 0.000 1.045 22 V HN 1.836 nan 8.190 nan 0.000 0.432 23 A N 4.647 127.461 122.820 -0.010 0.000 2.671 23 A HA 0.524 4.844 4.320 -0.000 0.000 0.306 23 A C 0.201 177.861 177.584 0.128 0.000 1.473 23 A CA -0.286 51.764 52.037 0.022 0.000 1.155 23 A CB -0.520 18.497 19.000 0.028 0.000 1.123 23 A HN 1.084 nan 8.150 nan 0.000 0.545 24 M N 3.353 122.992 119.600 0.066 0.000 2.250 24 M HA 0.173 4.653 4.480 -0.000 0.000 0.337 24 M C 0.536 176.950 176.300 0.191 0.000 1.161 24 M CA 0.011 55.420 55.300 0.182 0.000 1.088 24 M CB 0.522 33.150 32.600 0.047 0.000 1.639 24 M HN 0.625 nan 8.290 nan 0.000 0.447 25 V N 2.216 122.279 119.914 0.249 0.000 3.237 25 V HA 0.261 4.381 4.120 -0.000 0.000 0.305 25 V C 0.073 176.107 176.094 -0.101 0.000 1.096 25 V CA -0.430 61.849 62.300 -0.034 0.000 1.130 25 V CB 0.709 32.439 31.823 -0.156 0.000 1.048 25 V HN 0.848 nan 8.190 nan 0.000 0.484 26 T N 4.414 118.814 114.554 -0.256 0.000 2.947 26 T HA 0.433 4.783 4.350 -0.000 0.000 0.337 26 T C -2.582 171.687 174.700 -0.718 0.000 1.139 26 T CA -0.860 61.026 62.100 -0.356 0.000 0.992 26 T CB 0.973 69.662 68.868 -0.299 0.000 1.043 26 T HN 0.698 nan 8.240 nan 0.000 0.498 27 P HA 0.222 nan 4.420 nan 0.000 0.265 27 P C -0.826 176.278 177.300 -0.327 0.000 1.193 27 P CA 0.070 62.958 63.100 -0.353 0.000 0.765 27 P CB 0.290 31.909 31.700 -0.135 0.000 0.823 28 F N -0.088 119.857 119.950 -0.008 0.000 2.563 28 F HA 0.371 4.898 4.527 0.000 0.000 0.316 28 F C 1.351 177.145 175.800 -0.010 0.000 1.076 28 F CA -0.868 57.127 58.000 -0.008 0.000 0.921 28 F CB 1.802 40.795 39.000 -0.010 0.000 1.209 28 F HN 0.201 nan 8.300 nan 0.000 0.462 29 T N -2.294 112.382 114.554 0.204 0.000 2.732 29 T HA 0.131 4.480 4.350 -0.000 0.000 0.287 29 T C 0.913 175.662 174.700 0.082 0.000 0.993 29 T CA -0.508 61.651 62.100 0.099 0.000 0.966 29 T CB 0.827 69.732 68.868 0.062 0.000 1.047 29 T HN 0.720 nan 8.240 nan 0.000 0.527 30 E N 0.193 120.420 120.200 0.046 0.000 2.219 30 E HA -0.100 4.250 4.350 -0.000 0.000 0.198 30 E C 1.773 178.384 176.600 0.019 0.000 0.998 30 E CA 1.291 57.710 56.400 0.031 0.000 0.818 30 E CB -0.155 29.555 29.700 0.017 0.000 0.741 30 E HN 0.570 nan 8.360 nan 0.000 0.477 31 S N -0.978 114.728 115.700 0.009 0.000 2.597 31 S HA 0.210 4.680 4.470 -0.000 0.000 0.224 31 S C 1.074 175.646 174.600 -0.047 0.000 0.955 31 S CA 0.403 58.594 58.200 -0.015 0.000 0.933 31 S CB 0.997 64.187 63.200 -0.017 0.000 0.788 31 S HN 0.494 nan 8.310 nan 0.000 0.488 32 G N 1.875 110.646 108.800 -0.047 0.000 2.176 32 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.253 32 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.253 32 G C -0.377 174.348 174.900 -0.291 0.000 0.979 32 G CA -0.204 44.787 45.100 -0.182 0.000 0.641 32 G HN 0.505 nan 8.290 nan 0.000 0.530 33 D N 0.053 120.393 120.400 -0.101 0.000 2.313 33 D HA 0.357 4.996 4.640 -0.000 0.000 0.247 33 D C 0.803 177.166 176.300 0.104 0.000 1.094 33 D CA -0.389 53.577 54.000 -0.057 0.000 0.925 33 D CB 1.778 42.572 40.800 -0.010 0.000 1.188 33 D HN 0.298 nan 8.370 nan 0.000 0.430 34 I N 1.102 121.762 120.570 0.149 0.000 2.692 34 I HA -0.120 4.050 4.170 -0.000 0.000 0.284 34 I C 0.036 176.265 176.117 0.187 0.000 1.159 34 I CA 0.348 61.845 61.300 0.328 0.000 1.423 34 I CB 0.503 38.645 38.000 0.237 0.000 1.380 34 I HN 0.194 nan 8.210 nan 0.000 0.580 35 D N 8.192 128.689 120.400 0.162 0.000 2.458 35 D HA 0.161 4.800 4.640 -0.000 0.000 0.258 35 D C 1.037 177.363 176.300 0.043 0.000 1.134 35 D CA -0.429 53.619 54.000 0.080 0.000 0.915 35 D CB 0.691 41.530 40.800 0.065 0.000 1.028 35 D HN 0.361 nan 8.370 nan 0.000 0.508 36 I N 2.031 122.627 120.570 0.042 0.000 2.264 36 I HA -0.245 3.925 4.170 -0.000 0.000 0.248 36 I C 2.265 178.392 176.117 0.017 0.000 1.111 36 I CA 0.976 62.292 61.300 0.028 0.000 1.382 36 I CB -1.328 36.689 38.000 0.027 0.000 1.060 36 I HN 0.384 nan 8.210 nan 0.000 0.418 37 A N 0.948 123.778 122.820 0.016 0.000 1.877 37 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 37 A C 2.564 180.152 177.584 0.006 0.000 1.186 37 A CA 2.118 54.161 52.037 0.011 0.000 0.620 37 A CB -0.834 18.172 19.000 0.010 0.000 0.822 37 A HN 0.419 nan 8.150 nan 0.000 0.443 38 A N -0.635 122.186 122.820 0.001 0.000 2.015 38 A HA 0.168 4.488 4.320 -0.000 0.000 0.219 38 A C 2.334 179.911 177.584 -0.012 0.000 1.163 38 A CA 1.782 53.812 52.037 -0.011 0.000 0.646 38 A CB -1.221 17.768 19.000 -0.019 0.000 0.806 38 A HN 0.706 nan 8.150 nan 0.000 0.448 39 G N -0.282 108.513 108.800 -0.009 0.000 2.402 39 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 39 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 39 G C 1.762 176.666 174.900 0.007 0.000 1.162 39 G CA 0.805 45.901 45.100 -0.008 0.000 0.777 39 G HN 0.576 nan 8.290 nan 0.000 0.539 40 R N 0.200 120.706 120.500 0.009 0.000 2.115 40 R HA 0.023 4.363 4.340 -0.000 0.000 0.230 40 R C 2.418 178.733 176.300 0.024 0.000 1.111 40 R CA 1.119 57.228 56.100 0.014 0.000 0.976 40 R CB -0.284 30.023 30.300 0.012 0.000 0.870 40 R HN 0.535 nan 8.270 nan 0.000 0.445 41 E N 0.991 121.204 120.200 0.021 0.000 2.051 41 E HA -0.155 4.194 4.350 -0.000 0.000 0.192 41 E C 1.875 178.512 176.600 0.062 0.000 0.991 41 E CA 1.316 57.735 56.400 0.031 0.000 0.799 41 E CB 0.163 29.866 29.700 0.005 0.000 0.748 41 E HN 0.093 nan 8.360 nan 0.000 0.449 42 V N 1.447 121.388 119.914 0.046 0.000 2.343 42 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 42 V C 2.544 178.717 176.094 0.133 0.000 1.051 42 V CA 1.772 64.125 62.300 0.089 0.000 1.036 42 V CB -0.787 31.070 31.823 0.055 0.000 0.654 42 V HN 0.445 nan 8.190 nan 0.000 0.451 43 A N 0.066 122.927 122.820 0.069 0.000 1.877 43 A HA -0.111 4.208 4.320 -0.000 0.000 0.216 43 A C 2.425 180.034 177.584 0.042 0.000 1.186 43 A CA 2.103 54.164 52.037 0.040 0.000 0.620 43 A CB -0.797 18.211 19.000 0.015 0.000 0.822 43 A HN 0.563 nan 8.150 nan 0.000 0.443 44 A N -1.501 121.352 122.820 0.056 0.000 1.930 44 A HA -0.076 4.243 4.320 -0.000 0.000 0.217 44 A C 2.126 179.749 177.584 0.066 0.000 1.175 44 A CA 1.654 53.718 52.037 0.045 0.000 0.627 44 A CB -0.819 18.209 19.000 0.047 0.000 0.815 44 A HN 0.758 nan 8.150 nan 0.000 0.443 45 Y N 0.736 121.030 120.300 -0.011 0.000 2.070 45 Y HA -0.218 4.332 4.550 -0.000 0.000 0.280 45 Y C 1.970 177.863 175.900 -0.013 0.000 1.148 45 Y CA 2.044 60.140 58.100 -0.007 0.000 1.125 45 Y CB -0.449 38.010 38.460 -0.000 0.000 0.975 45 Y HN 0.211 nan 8.280 nan 0.000 0.492 46 L N -0.942 120.263 121.223 -0.030 0.000 2.012 46 L HA -0.248 4.091 4.340 -0.000 0.000 0.210 46 L C 2.376 179.150 176.870 -0.159 0.000 1.073 46 L CA 1.406 56.161 54.840 -0.143 0.000 0.748 46 L CB -0.913 41.125 42.059 -0.034 0.000 0.891 46 L HN 0.172 nan 8.230 nan 0.000 0.431 47 V N -0.434 119.421 119.914 -0.097 0.000 2.307 47 V HA -0.277 3.843 4.120 -0.000 0.000 0.245 47 V C 2.065 178.099 176.094 -0.100 0.000 1.045 47 V CA 1.870 64.118 62.300 -0.085 0.000 1.024 47 V CB -0.531 31.259 31.823 -0.055 0.000 0.651 47 V HN 0.395 nan 8.190 nan 0.000 0.449 48 D N -0.116 120.218 120.400 -0.110 0.000 2.221 48 D HA -0.121 4.519 4.640 -0.000 0.000 0.204 48 D C 2.142 178.353 176.300 -0.148 0.000 0.982 48 D CA 0.842 54.778 54.000 -0.107 0.000 0.857 48 D CB -0.146 40.601 40.800 -0.089 0.000 0.934 48 D HN 0.270 nan 8.370 nan 0.000 0.475 49 K N -0.830 119.429 120.400 -0.235 0.000 2.432 49 K HA 0.110 4.430 4.320 -0.000 0.000 0.196 49 K C 1.422 177.945 176.600 -0.128 0.000 1.038 49 K CA 0.790 56.937 56.287 -0.234 0.000 0.986 49 K CB 0.790 33.062 32.500 -0.380 0.000 0.782 49 K HN 0.259 nan 8.250 nan 0.000 0.485 50 G N 0.247 108.984 108.800 -0.104 0.000 2.485 50 G HA2 -0.145 3.814 3.960 -0.000 0.000 0.181 50 G HA3 -0.145 3.814 3.960 -0.000 0.000 0.181 50 G C -0.002 174.858 174.900 -0.067 0.000 0.999 50 G CA -0.543 44.518 45.100 -0.065 0.000 0.721 50 G HN 0.106 nan 8.290 nan 0.000 0.486 51 L N 2.049 123.225 121.223 -0.080 0.000 2.426 51 L HA 0.423 4.762 4.340 -0.000 0.000 0.271 51 L C 0.789 177.609 176.870 -0.084 0.000 1.169 51 L CA 0.457 55.251 54.840 -0.078 0.000 0.836 51 L CB 0.759 42.769 42.059 -0.082 0.000 1.112 51 L HN 0.368 nan 8.230 nan 0.000 0.465 52 D N -0.382 119.961 120.400 -0.095 0.000 2.535 52 D HA 0.113 4.753 4.640 -0.000 0.000 0.229 52 D C 0.008 176.256 176.300 -0.087 0.000 1.238 52 D CA -0.137 53.808 54.000 -0.091 0.000 0.824 52 D CB 0.851 41.587 40.800 -0.107 0.000 1.045 52 D HN 0.304 nan 8.370 nan 0.000 0.500 53 S N -0.353 115.296 115.700 -0.085 0.000 2.537 53 S HA 0.691 5.160 4.470 -0.000 0.000 0.271 53 S C -2.080 172.472 174.600 -0.080 0.000 1.148 53 S CA -0.761 57.389 58.200 -0.082 0.000 0.868 53 S CB 0.851 63.995 63.200 -0.093 0.000 1.115 53 S HN 0.182 nan 8.310 nan 0.000 0.461 54 L N 3.301 124.480 121.223 -0.073 0.000 2.470 54 L HA 0.579 4.919 4.340 -0.000 0.000 0.268 54 L C -1.046 175.789 176.870 -0.058 0.000 0.964 54 L CA -0.920 53.879 54.840 -0.068 0.000 0.839 54 L CB 2.203 44.230 42.059 -0.054 0.000 1.276 54 L HN 0.437 nan 8.230 nan 0.000 0.403 55 V N 4.636 124.513 119.914 -0.061 0.000 2.383 55 V HA 0.406 4.526 4.120 -0.000 0.000 0.275 55 V C 0.081 176.161 176.094 -0.023 0.000 1.036 55 V CA -0.261 62.007 62.300 -0.052 0.000 0.889 55 V CB 1.549 33.321 31.823 -0.085 0.000 0.985 55 V HN 0.470 nan 8.190 nan 0.000 0.459 56 L N 4.346 125.562 121.223 -0.011 0.000 2.309 56 L HA 0.691 5.031 4.340 -0.000 0.000 0.282 56 L C 0.823 177.703 176.870 0.017 0.000 1.036 56 L CA -0.504 54.338 54.840 0.004 0.000 0.806 56 L CB 1.470 43.531 42.059 0.003 0.000 1.220 56 L HN 0.831 nan 8.230 nan 0.000 0.429 57 A N 2.001 124.837 122.820 0.026 0.000 3.009 57 A HA -0.097 4.223 4.320 -0.000 0.000 0.264 57 A C 0.621 178.236 177.584 0.053 0.000 1.408 57 A CA 0.609 52.672 52.037 0.043 0.000 0.789 57 A CB -2.271 16.758 19.000 0.049 0.000 1.040 57 A HN 0.962 nan 8.150 nan 0.000 0.576 58 G N -1.569 107.257 108.800 0.043 0.000 2.531 58 G HA2 0.510 4.470 3.960 -0.000 0.000 0.281 58 G HA3 0.510 4.470 3.960 -0.000 0.000 0.281 58 G C 0.999 175.947 174.900 0.079 0.000 1.382 58 G CA 0.706 45.841 45.100 0.058 0.000 1.045 58 G HN 0.671 nan 8.290 nan 0.000 0.533 59 T N 0.187 114.813 114.554 0.119 0.000 2.652 59 T HA -0.142 4.207 4.350 -0.000 0.000 0.267 59 T C 2.560 177.293 174.700 0.056 0.000 1.039 59 T CA 2.090 64.248 62.100 0.098 0.000 1.153 59 T CB -0.547 68.410 68.868 0.149 0.000 0.863 59 T HN 0.422 nan 8.240 nan 0.000 0.428 60 T N 1.071 115.661 114.554 0.059 0.000 2.929 60 T HA 0.024 4.374 4.350 -0.000 0.000 0.271 60 T C 1.976 176.677 174.700 0.003 0.000 1.085 60 T CA 1.056 63.173 62.100 0.029 0.000 1.125 60 T CB -0.457 68.449 68.868 0.064 0.000 0.874 60 T HN 0.523 nan 8.240 nan 0.000 0.494 61 G N 0.601 109.414 108.800 0.021 0.000 3.088 61 G HA2 0.144 4.104 3.960 -0.000 0.000 0.212 61 G HA3 0.144 4.104 3.960 -0.000 0.000 0.212 61 G C 0.100 175.006 174.900 0.010 0.000 1.173 61 G CA -0.304 44.795 45.100 0.000 0.000 0.779 61 G HN 0.558 nan 8.290 nan 0.000 0.540 62 E N -0.057 120.159 120.200 0.027 0.000 2.320 62 E HA -0.259 4.091 4.350 -0.000 0.000 0.234 62 E C 1.752 178.400 176.600 0.080 0.000 1.183 62 E CA 0.230 56.669 56.400 0.065 0.000 0.713 62 E CB -1.480 28.298 29.700 0.130 0.000 1.226 62 E HN 0.637 nan 8.360 nan 0.000 0.382 63 S N -1.509 114.224 115.700 0.055 0.000 2.419 63 S HA -0.109 4.361 4.470 -0.000 0.000 0.235 63 S C -0.777 173.846 174.600 0.039 0.000 1.019 63 S CA 0.930 59.164 58.200 0.058 0.000 0.982 63 S CB -0.471 62.767 63.200 0.064 0.000 0.789 63 S HN 0.222 nan 8.310 nan 0.000 0.490 64 P HA 0.045 nan 4.420 nan 0.000 0.222 64 P C 1.401 178.701 177.300 -0.001 0.000 1.153 64 P CA 1.398 64.483 63.100 -0.025 0.000 0.798 64 P CB -0.277 31.374 31.700 -0.082 0.000 0.796 65 T N -5.125 109.444 114.554 0.025 0.000 3.105 65 T HA 0.137 4.486 4.350 -0.000 0.000 0.253 65 T C 0.561 175.274 174.700 0.021 0.000 1.047 65 T CA -0.168 61.940 62.100 0.013 0.000 0.944 65 T CB -0.960 67.913 68.868 0.010 0.000 1.016 65 T HN 0.080 nan 8.240 nan 0.000 0.544 66 T N 0.747 115.340 114.554 0.065 0.000 2.888 66 T HA 0.604 4.954 4.350 -0.000 0.000 0.284 66 T C 0.271 175.000 174.700 0.048 0.000 1.017 66 T CA -0.565 61.581 62.100 0.077 0.000 1.022 66 T CB 1.592 70.549 68.868 0.148 0.000 1.013 66 T HN 0.322 nan 8.240 nan 0.000 0.465 67 T N -0.346 114.229 114.554 0.035 0.000 2.816 67 T HA 0.537 4.886 4.350 -0.000 0.000 0.282 67 T C 1.800 176.523 174.700 0.038 0.000 0.993 67 T CA -0.367 61.750 62.100 0.028 0.000 0.994 67 T CB 0.530 69.406 68.868 0.015 0.000 1.025 67 T HN 0.894 nan 8.240 nan 0.000 0.529 68 A N 0.991 123.831 122.820 0.033 0.000 1.933 68 A HA 0.175 4.494 4.320 -0.000 0.000 0.218 68 A C 2.616 180.219 177.584 0.032 0.000 1.175 68 A CA 1.796 53.854 52.037 0.035 0.000 0.628 68 A CB -1.510 17.508 19.000 0.030 0.000 0.814 68 A HN 1.227 nan 8.150 nan 0.000 0.444 69 A N -0.292 122.544 122.820 0.027 0.000 1.898 69 A HA -0.126 4.194 4.320 -0.000 0.000 0.216 69 A C 1.903 179.507 177.584 0.033 0.000 1.181 69 A CA 1.523 53.575 52.037 0.025 0.000 0.620 69 A CB -0.479 18.533 19.000 0.019 0.000 0.819 69 A HN 0.614 nan 8.150 nan 0.000 0.442 70 E N -0.027 120.198 120.200 0.042 0.000 2.110 70 E HA -0.200 4.149 4.350 -0.000 0.000 0.193 70 E C 2.044 178.681 176.600 0.062 0.000 0.988 70 E CA 1.416 57.852 56.400 0.060 0.000 0.804 70 E CB -0.125 29.625 29.700 0.083 0.000 0.745 70 E HN 0.588 nan 8.360 nan 0.000 0.458 71 K N 0.470 120.904 120.400 0.056 0.000 1.985 71 K HA -0.169 4.151 4.320 -0.000 0.000 0.210 71 K C 2.227 178.849 176.600 0.037 0.000 1.047 71 K CA 0.984 57.301 56.287 0.050 0.000 0.932 71 K CB -0.306 32.223 32.500 0.049 0.000 0.716 71 K HN 0.025 nan 8.250 nan 0.000 0.439 72 L N 2.092 123.334 121.223 0.032 0.000 2.081 72 L HA -0.225 4.115 4.340 -0.000 0.000 0.212 72 L C 2.221 179.104 176.870 0.021 0.000 1.080 72 L CA 1.815 56.669 54.840 0.023 0.000 0.754 72 L CB -0.427 41.644 42.059 0.020 0.000 0.893 72 L HN 0.228 nan 8.230 nan 0.000 0.433 73 E N -0.956 119.260 120.200 0.026 0.000 2.031 73 E HA -0.271 4.079 4.350 -0.000 0.000 0.193 73 E C 2.195 178.810 176.600 0.024 0.000 0.994 73 E CA 1.515 57.931 56.400 0.025 0.000 0.800 73 E CB -0.288 29.431 29.700 0.031 0.000 0.752 73 E HN 0.431 nan 8.360 nan 0.000 0.447 74 L N 0.849 122.089 121.223 0.030 0.000 2.042 74 L HA -0.158 4.182 4.340 -0.000 0.000 0.210 74 L C 2.282 179.161 176.870 0.014 0.000 1.076 74 L CA 1.438 56.291 54.840 0.023 0.000 0.749 74 L CB -0.733 41.341 42.059 0.025 0.000 0.893 74 L HN 0.303 nan 8.230 nan 0.000 0.432 75 L N -0.131 121.100 121.223 0.014 0.000 1.989 75 L HA -0.255 4.085 4.340 -0.000 0.000 0.211 75 L C 2.473 179.345 176.870 0.004 0.000 1.071 75 L CA 1.998 56.842 54.840 0.007 0.000 0.749 75 L CB -0.855 41.210 42.059 0.009 0.000 0.890 75 L HN 0.281 nan 8.230 nan 0.000 0.431 76 K N -0.637 119.766 120.400 0.006 0.000 2.097 76 K HA -0.103 4.217 4.320 -0.000 0.000 0.206 76 K C 2.048 178.650 176.600 0.003 0.000 1.049 76 K CA 1.263 57.552 56.287 0.004 0.000 0.933 76 K CB -0.379 32.124 32.500 0.006 0.000 0.717 76 K HN 0.514 nan 8.250 nan 0.000 0.442 77 A N 1.097 123.921 122.820 0.007 0.000 1.873 77 A HA -0.110 4.210 4.320 -0.000 0.000 0.215 77 A C 2.385 179.971 177.584 0.004 0.000 1.186 77 A CA 1.322 53.363 52.037 0.007 0.000 0.616 77 A CB -0.612 18.395 19.000 0.011 0.000 0.823 77 A HN 0.063 nan 8.150 nan 0.000 0.442 78 V N -0.019 119.896 119.914 0.002 0.000 2.427 78 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 78 V C 2.621 178.712 176.094 -0.006 0.000 1.051 78 V CA 2.196 64.495 62.300 -0.001 0.000 1.048 78 V CB -0.817 31.004 31.823 -0.003 0.000 0.666 78 V HN 0.664 nan 8.190 nan 0.000 0.456 79 R N 0.282 120.778 120.500 -0.007 0.000 2.091 79 R HA -0.212 4.127 4.340 -0.000 0.000 0.238 79 R C 2.250 178.544 176.300 -0.010 0.000 1.136 79 R CA 2.050 58.142 56.100 -0.012 0.000 0.959 79 R CB -0.207 30.086 30.300 -0.012 0.000 0.856 79 R HN 0.631 nan 8.270 nan 0.000 0.437 80 E N -0.438 119.759 120.200 -0.006 0.000 2.153 80 E HA -0.222 4.128 4.350 -0.000 0.000 0.194 80 E C 1.791 178.389 176.600 -0.004 0.000 0.988 80 E CA 1.231 57.628 56.400 -0.004 0.000 0.811 80 E CB 0.038 29.738 29.700 -0.001 0.000 0.746 80 E HN 0.341 nan 8.360 nan 0.000 0.466 81 E N 0.482 120.680 120.200 -0.002 0.000 2.021 81 E HA -0.108 4.242 4.350 -0.000 0.000 0.189 81 E C 1.623 178.220 176.600 -0.005 0.000 0.980 81 E CA 1.379 57.779 56.400 -0.000 0.000 0.803 81 E CB 0.384 30.087 29.700 0.004 0.000 0.766 81 E HN 0.160 nan 8.360 nan 0.000 0.449 82 V N -2.063 117.846 119.914 -0.009 0.000 3.070 82 V HA 0.536 4.656 4.120 -0.000 0.000 0.345 82 V C 1.398 177.478 176.094 -0.023 0.000 1.403 82 V CA 0.303 62.594 62.300 -0.016 0.000 1.155 82 V CB 0.248 32.060 31.823 -0.018 0.000 1.140 82 V HN 0.219 nan 8.190 nan 0.000 0.505 83 G N 0.903 109.691 108.800 -0.021 0.000 2.432 83 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.219 83 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.219 83 G C 0.810 175.692 174.900 -0.030 0.000 1.135 83 G CA 1.178 46.262 45.100 -0.026 0.000 0.767 83 G HN 0.578 nan 8.290 nan 0.000 0.550 84 D N -0.574 119.810 120.400 -0.026 0.000 2.363 84 D HA 0.087 4.727 4.640 -0.000 0.000 0.226 84 D C 2.028 178.309 176.300 -0.032 0.000 1.020 84 D CA 0.410 54.394 54.000 -0.027 0.000 0.892 84 D CB 0.134 40.921 40.800 -0.021 0.000 0.900 84 D HN 0.606 nan 8.370 nan 0.000 0.531 85 R N -1.204 119.275 120.500 -0.035 0.000 2.518 85 R HA 0.632 4.972 4.340 -0.000 0.000 0.419 85 R C -0.587 175.684 176.300 -0.048 0.000 0.902 85 R CA -0.420 55.656 56.100 -0.040 0.000 1.146 85 R CB 0.450 30.729 30.300 -0.034 0.000 1.652 85 R HN -0.027 nan 8.270 nan 0.000 0.555 86 A N 1.300 124.090 122.820 -0.051 0.000 2.589 86 A HA 0.548 4.868 4.320 -0.000 0.000 0.296 86 A C -1.462 176.084 177.584 -0.063 0.000 1.062 86 A CA -1.009 50.993 52.037 -0.059 0.000 0.686 86 A CB 1.465 20.432 19.000 -0.055 0.000 1.282 86 A HN 0.046 nan 8.150 nan 0.000 0.404 87 K N 1.763 122.118 120.400 -0.074 0.000 2.339 87 K HA 0.416 4.736 4.320 -0.000 0.000 0.286 87 K C -0.830 175.727 176.600 -0.072 0.000 1.050 87 K CA 0.092 56.328 56.287 -0.085 0.000 0.956 87 K CB 0.606 33.044 32.500 -0.102 0.000 0.990 87 K HN 0.587 nan 8.250 nan 0.000 0.475 88 L N 5.431 126.614 121.223 -0.066 0.000 2.280 88 L HA 0.467 4.807 4.340 -0.000 0.000 0.287 88 L C 0.092 176.936 176.870 -0.044 0.000 1.023 88 L CA -0.632 54.178 54.840 -0.049 0.000 0.819 88 L CB 0.573 42.610 42.059 -0.038 0.000 1.212 88 L HN 0.376 nan 8.230 nan 0.000 0.420 89 I N 3.082 123.634 120.570 -0.031 0.000 2.339 89 I HA 0.471 4.641 4.170 -0.000 0.000 0.290 89 I C 0.343 176.458 176.117 -0.003 0.000 0.994 89 I CA -0.357 60.941 61.300 -0.004 0.000 1.191 89 I CB 1.853 39.863 38.000 0.018 0.000 1.343 89 I HN 0.601 nan 8.210 nan 0.000 0.458 90 A N 4.880 127.706 122.820 0.010 0.000 2.260 90 A HA 0.676 4.996 4.320 -0.000 0.000 0.308 90 A C 0.421 178.024 177.584 0.033 0.000 1.254 90 A CA -0.501 51.546 52.037 0.017 0.000 0.874 90 A CB 0.545 19.555 19.000 0.017 0.000 1.153 90 A HN 0.852 nan 8.150 nan 0.000 0.527 91 G N 0.875 109.698 108.800 0.038 0.000 2.358 91 G HA2 0.449 4.409 3.960 -0.000 0.000 0.273 91 G HA3 0.449 4.409 3.960 -0.000 0.000 0.273 91 G C 0.529 175.478 174.900 0.081 0.000 1.215 91 G CA 0.422 45.562 45.100 0.067 0.000 0.910 91 G HN 1.647 nan 8.290 nan 0.000 0.467 92 V N 0.490 120.462 119.914 0.097 0.000 3.411 92 V HA 0.460 4.580 4.120 -0.000 0.000 0.287 92 V C 1.029 177.195 176.094 0.120 0.000 1.543 92 V CA 0.382 62.737 62.300 0.091 0.000 1.028 92 V CB -0.122 31.739 31.823 0.064 0.000 0.840 92 V HN 0.719 nan 8.190 nan 0.000 0.435 93 G N 1.639 110.539 108.800 0.167 0.000 2.403 93 G HA2 0.530 4.490 3.960 -0.000 0.000 0.259 93 G HA3 0.530 4.490 3.960 -0.000 0.000 0.259 93 G C 0.035 175.072 174.900 0.228 0.000 1.244 93 G CA 0.814 46.039 45.100 0.209 0.000 0.849 93 G HN 0.771 nan 8.290 nan 0.000 0.532 94 T N -1.269 113.386 114.554 0.168 0.000 2.626 94 T HA 0.399 4.749 4.350 -0.000 0.000 0.279 94 T C 0.479 175.027 174.700 -0.253 0.000 0.983 94 T CA -0.571 61.600 62.100 0.119 0.000 1.059 94 T CB 1.657 70.602 68.868 0.128 0.000 1.396 94 T HN 0.429 nan 8.240 nan 0.000 0.519 95 N N 0.247 118.659 118.700 -0.480 0.000 2.321 95 N HA 0.193 4.933 4.740 -0.000 0.000 0.242 95 N C -0.417 174.929 175.510 -0.273 0.000 1.141 95 N CA -0.545 52.147 53.050 -0.597 0.000 0.864 95 N CB -0.277 37.732 38.487 -0.797 0.000 1.100 95 N HN 0.566 nan 8.380 nan 0.000 0.510 96 N N -0.025 118.607 118.700 -0.114 0.000 2.461 96 N HA 0.196 4.936 4.740 -0.000 0.000 0.284 96 N C 0.038 175.587 175.510 0.064 0.000 1.049 96 N CA -0.149 52.885 53.050 -0.027 0.000 0.889 96 N CB 1.652 40.140 38.487 0.002 0.000 1.365 96 N HN -0.079 nan 8.380 nan 0.000 0.499 97 T N 2.281 116.895 114.554 0.101 0.000 2.759 97 T HA -0.177 4.173 4.350 -0.000 0.000 0.269 97 T C 1.713 176.431 174.700 0.030 0.000 1.042 97 T CA 1.398 63.580 62.100 0.137 0.000 1.140 97 T CB 0.109 69.055 68.868 0.130 0.000 0.864 97 T HN 0.524 nan 8.240 nan 0.000 0.455 98 R N 1.409 121.922 120.500 0.022 0.000 2.070 98 R HA -0.114 4.225 4.340 -0.000 0.000 0.233 98 R C 2.601 178.909 176.300 0.014 0.000 1.137 98 R CA 2.318 58.424 56.100 0.010 0.000 0.945 98 R CB -0.993 29.313 30.300 0.009 0.000 0.845 98 R HN 0.528 nan 8.270 nan 0.000 0.430 99 T N -2.419 112.150 114.554 0.025 0.000 2.915 99 T HA 0.009 4.359 4.350 -0.000 0.000 0.269 99 T C 2.050 176.772 174.700 0.037 0.000 1.071 99 T CA 1.337 63.456 62.100 0.032 0.000 1.132 99 T CB -0.306 68.587 68.868 0.041 0.000 0.878 99 T HN 0.153 nan 8.240 nan 0.000 0.479 100 S N 0.904 116.630 115.700 0.043 0.000 2.383 100 S HA -0.021 4.449 4.470 -0.000 0.000 0.227 100 S C 2.169 176.769 174.600 -0.001 0.000 1.026 100 S CA 0.989 59.212 58.200 0.038 0.000 0.981 100 S CB -0.509 62.715 63.200 0.039 0.000 0.818 100 S HN 0.405 nan 8.310 nan 0.000 0.472 101 V N 1.767 121.669 119.914 -0.020 0.000 2.358 101 V HA -0.169 3.951 4.120 -0.000 0.000 0.246 101 V C 2.281 178.373 176.094 -0.004 0.000 1.047 101 V CA 1.640 63.925 62.300 -0.024 0.000 1.035 101 V CB -0.629 31.177 31.823 -0.028 0.000 0.658 101 V HN 0.476 nan 8.190 nan 0.000 0.452 102 E N -0.269 119.934 120.200 0.005 0.000 2.058 102 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 102 E C 2.145 178.754 176.600 0.015 0.000 0.997 102 E CA 1.228 57.634 56.400 0.010 0.000 0.801 102 E CB -0.201 29.507 29.700 0.014 0.000 0.746 102 E HN 0.289 nan 8.360 nan 0.000 0.450 103 L N 0.486 121.722 121.223 0.023 0.000 2.083 103 L HA -0.118 4.222 4.340 -0.000 0.000 0.209 103 L C 2.204 179.089 176.870 0.025 0.000 1.083 103 L CA 1.713 56.571 54.840 0.030 0.000 0.752 103 L CB -0.877 41.210 42.059 0.047 0.000 0.899 103 L HN 0.070 nan 8.230 nan 0.000 0.433 104 A N -1.098 121.733 122.820 0.019 0.000 1.929 104 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 104 A C 2.164 179.752 177.584 0.006 0.000 1.176 104 A CA 1.350 53.395 52.037 0.013 0.000 0.628 104 A CB -0.341 18.663 19.000 0.006 0.000 0.816 104 A HN 0.519 nan 8.150 nan 0.000 0.444 105 E N -0.076 120.126 120.200 0.003 0.000 2.072 105 E HA -0.028 4.322 4.350 -0.000 0.000 0.190 105 E C 2.283 178.884 176.600 0.003 0.000 0.982 105 E CA 0.787 57.187 56.400 0.001 0.000 0.803 105 E CB -0.275 29.425 29.700 -0.001 0.000 0.755 105 E HN 0.590 nan 8.360 nan 0.000 0.453 106 A N 1.655 124.479 122.820 0.007 0.000 1.933 106 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 106 A C 2.387 179.976 177.584 0.007 0.000 1.175 106 A CA 1.645 53.687 52.037 0.008 0.000 0.628 106 A CB -0.533 18.475 19.000 0.013 0.000 0.814 106 A HN 0.281 nan 8.150 nan 0.000 0.444 107 A N -0.314 122.512 122.820 0.009 0.000 1.929 107 A HA 0.268 4.588 4.320 -0.000 0.000 0.216 107 A C 2.461 180.044 177.584 -0.001 0.000 1.176 107 A CA 1.744 53.785 52.037 0.006 0.000 0.628 107 A CB -0.868 18.139 19.000 0.012 0.000 0.816 107 A HN 0.940 nan 8.150 nan 0.000 0.444 108 A N -0.257 122.561 122.820 -0.003 0.000 1.858 108 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 108 A C 2.404 179.983 177.584 -0.009 0.000 1.190 108 A CA 2.041 54.072 52.037 -0.010 0.000 0.617 108 A CB -0.994 18.000 19.000 -0.010 0.000 0.827 108 A HN 0.445 nan 8.150 nan 0.000 0.443 109 S N -0.004 115.692 115.700 -0.005 0.000 2.419 109 S HA -0.040 4.430 4.470 -0.000 0.000 0.235 109 S C 2.006 176.603 174.600 -0.005 0.000 1.019 109 S CA 1.056 59.254 58.200 -0.005 0.000 0.982 109 S CB -0.361 62.838 63.200 -0.002 0.000 0.789 109 S HN 0.791 nan 8.310 nan 0.000 0.490 110 A N 0.381 123.199 122.820 -0.004 0.000 2.167 110 A HA 0.454 4.774 4.320 -0.000 0.000 0.214 110 A C 1.615 179.194 177.584 -0.009 0.000 1.151 110 A CA 0.839 52.874 52.037 -0.004 0.000 0.735 110 A CB -0.668 18.332 19.000 -0.000 0.000 0.802 110 A HN 0.955 nan 8.150 nan 0.000 0.467 111 G N -1.892 106.901 108.800 -0.012 0.000 2.140 111 G HA2 0.164 4.124 3.960 -0.000 0.000 0.211 111 G HA3 0.164 4.124 3.960 -0.000 0.000 0.211 111 G C 0.295 175.180 174.900 -0.025 0.000 1.013 111 G CA 0.156 45.245 45.100 -0.018 0.000 0.705 111 G HN 1.519 nan 8.290 nan 0.000 0.508 112 A N -0.059 122.747 122.820 -0.024 0.000 2.477 112 A HA 0.516 4.836 4.320 -0.000 0.000 0.246 112 A C 1.245 178.798 177.584 -0.052 0.000 1.078 112 A CA 0.763 52.781 52.037 -0.032 0.000 0.770 112 A CB 0.316 19.304 19.000 -0.020 0.000 1.011 112 A HN 0.290 nan 8.150 nan 0.000 0.494 113 D N 1.407 121.764 120.400 -0.072 0.000 2.234 113 D HA 0.120 4.760 4.640 -0.000 0.000 0.205 113 D C 0.916 177.104 176.300 -0.187 0.000 0.962 113 D CA 1.704 55.636 54.000 -0.112 0.000 0.855 113 D CB 0.371 41.095 40.800 -0.128 0.000 0.951 113 D HN 0.716 nan 8.370 nan 0.000 0.500 114 G N -0.278 108.438 108.800 -0.140 0.000 2.649 114 G HA2 0.583 4.543 3.960 -0.000 0.000 0.290 114 G HA3 0.583 4.543 3.960 -0.000 0.000 0.290 114 G C -1.785 173.140 174.900 0.042 0.000 1.426 114 G CA -0.665 44.372 45.100 -0.105 0.000 0.794 114 G HN 0.007 nan 8.290 nan 0.000 0.483 115 L N 0.120 121.420 121.223 0.129 0.000 2.410 115 L HA 0.573 4.913 4.340 -0.000 0.000 0.270 115 L C -1.096 175.823 176.870 0.082 0.000 0.983 115 L CA -0.896 53.994 54.840 0.083 0.000 0.822 115 L CB 2.258 44.351 42.059 0.056 0.000 1.285 115 L HN 0.430 nan 8.230 nan 0.000 0.409 116 L N 4.103 125.354 121.223 0.046 0.000 2.272 116 L HA 0.588 4.928 4.340 -0.000 0.000 0.289 116 L C -0.771 176.157 176.870 0.097 0.000 1.032 116 L CA -0.168 54.679 54.840 0.012 0.000 0.810 116 L CB 1.630 43.661 42.059 -0.047 0.000 1.205 116 L HN 0.313 nan 8.230 nan 0.000 0.422 117 V N 6.444 126.440 119.914 0.136 0.000 2.325 117 V HA 0.312 4.432 4.120 -0.000 0.000 0.280 117 V C 0.124 176.443 176.094 0.374 0.000 1.016 117 V CA -0.723 61.733 62.300 0.260 0.000 0.818 117 V CB 1.376 33.381 31.823 0.303 0.000 1.019 117 V HN 0.604 nan 8.190 nan 0.000 0.434 118 V N 4.697 124.836 119.914 0.376 0.000 3.096 118 V HA 0.226 4.346 4.120 -0.000 0.000 0.306 118 V C 0.965 177.242 176.094 0.305 0.000 1.088 118 V CA 0.502 63.003 62.300 0.334 0.000 1.129 118 V CB 1.788 33.776 31.823 0.274 0.000 1.014 118 V HN 0.947 nan 8.190 nan 0.000 0.486 119 T N 7.979 122.661 114.554 0.213 0.000 2.888 119 T HA 0.201 4.551 4.350 -0.000 0.000 0.301 119 T C -2.479 172.192 174.700 -0.049 0.000 1.001 119 T CA -0.332 61.866 62.100 0.163 0.000 1.147 119 T CB 0.755 69.692 68.868 0.114 0.000 0.931 119 T HN 0.640 nan 8.240 nan 0.000 0.541 120 P HA 0.031 nan 4.420 nan 0.000 0.260 120 P C -0.763 176.327 177.300 -0.350 0.000 1.172 120 P CA 0.119 62.909 63.100 -0.517 0.000 0.760 120 P CB -0.012 31.274 31.700 -0.690 0.000 0.773 121 Y N 2.634 122.903 120.300 -0.051 0.000 2.432 121 Y HA 0.391 4.940 4.550 -0.001 0.000 0.322 121 Y C 1.524 177.484 175.900 0.100 0.000 1.246 121 Y CA -1.235 56.870 58.100 0.009 0.000 1.268 121 Y CB -0.156 38.315 38.460 0.020 0.000 1.276 121 Y HN 0.507 nan 8.280 nan 0.000 0.499 122 Y N 0.164 120.550 120.300 0.143 0.000 2.769 122 Y HA -0.454 4.096 4.550 -0.001 0.000 0.487 122 Y C 2.083 177.984 175.900 0.001 0.000 1.131 122 Y CA 3.409 61.559 58.100 0.082 0.000 2.888 122 Y CB -1.948 36.603 38.460 0.153 0.000 0.920 122 Y HN 0.789 nan 8.280 nan 0.000 0.553 123 S N 0.756 116.345 115.700 -0.185 0.000 2.481 123 S HA 0.005 4.475 4.470 -0.000 0.000 0.231 123 S C 0.772 175.237 174.600 -0.225 0.000 0.996 123 S CA 0.899 58.925 58.200 -0.290 0.000 0.942 123 S CB -0.332 62.763 63.200 -0.176 0.000 0.768 123 S HN 0.543 nan 8.310 nan 0.000 0.520 124 K N 1.809 122.108 120.400 -0.168 0.000 3.974 124 K HA -0.098 4.222 4.320 -0.000 0.000 0.280 124 K C -2.495 174.033 176.600 -0.120 0.000 0.949 124 K CA 0.467 56.679 56.287 -0.125 0.000 0.817 124 K CB -1.591 30.842 32.500 -0.112 0.000 1.535 124 K HN 0.530 nan 8.250 nan 0.000 0.444 125 P HA 0.047 nan 4.420 nan 0.000 0.274 125 P C 0.072 177.322 177.300 -0.084 0.000 1.256 125 P CA -0.453 62.573 63.100 -0.124 0.000 0.795 125 P CB 0.859 32.454 31.700 -0.174 0.000 1.038 126 S N 0.197 115.859 115.700 -0.062 0.000 2.624 126 S HA 0.073 4.542 4.470 -0.000 0.000 0.263 126 S C 1.330 175.917 174.600 -0.021 0.000 1.287 126 S CA -0.553 57.626 58.200 -0.034 0.000 0.990 126 S CB 0.451 63.636 63.200 -0.025 0.000 0.950 126 S HN 0.392 nan 8.310 nan 0.000 0.561 127 Q N 0.394 120.196 119.800 0.004 0.000 2.170 127 Q HA -0.080 4.259 4.340 -0.000 0.000 0.203 127 Q C 1.813 177.834 176.000 0.035 0.000 0.976 127 Q CA 1.229 57.050 55.803 0.031 0.000 0.858 127 Q CB -0.436 28.326 28.738 0.040 0.000 0.907 127 Q HN 0.715 nan 8.270 nan 0.000 0.433 128 E N 0.071 120.282 120.200 0.018 0.000 2.110 128 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 128 E C 2.015 178.623 176.600 0.013 0.000 0.988 128 E CA 1.154 57.566 56.400 0.020 0.000 0.804 128 E CB -0.375 29.330 29.700 0.009 0.000 0.745 128 E HN 0.480 nan 8.360 nan 0.000 0.458 129 G N 0.916 109.709 108.800 -0.012 0.000 2.432 129 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 129 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 129 G C 1.739 176.613 174.900 -0.042 0.000 1.135 129 G CA 0.393 45.471 45.100 -0.037 0.000 0.767 129 G HN 0.184 nan 8.290 nan 0.000 0.550 130 L N -0.172 121.033 121.223 -0.029 0.000 2.056 130 L HA 0.007 4.347 4.340 -0.000 0.000 0.207 130 L C 2.891 179.837 176.870 0.127 0.000 1.078 130 L CA 0.575 55.402 54.840 -0.022 0.000 0.749 130 L CB -0.411 41.719 42.059 0.120 0.000 0.901 130 L HN 0.189 nan 8.230 nan 0.000 0.433 131 L N -0.369 120.938 121.223 0.140 0.000 2.083 131 L HA -0.194 4.146 4.340 -0.000 0.000 0.209 131 L C 2.840 179.775 176.870 0.108 0.000 1.083 131 L CA 1.165 56.096 54.840 0.152 0.000 0.752 131 L CB -0.679 41.438 42.059 0.096 0.000 0.899 131 L HN 0.246 nan 8.230 nan 0.000 0.433 132 A N -0.828 122.029 122.820 0.061 0.000 1.929 132 A HA -0.246 4.073 4.320 -0.000 0.000 0.216 132 A C 2.072 179.674 177.584 0.029 0.000 1.176 132 A CA 1.606 53.665 52.037 0.037 0.000 0.628 132 A CB -0.662 18.349 19.000 0.019 0.000 0.816 132 A HN 0.495 nan 8.150 nan 0.000 0.444 133 H N -1.115 117.887 119.070 -0.113 0.000 2.256 133 H HA -0.113 4.443 4.556 -0.000 0.000 0.299 133 H C 1.619 176.864 175.328 -0.139 0.000 1.071 133 H CA 2.311 58.236 56.048 -0.205 0.000 1.280 133 H CB -0.493 29.020 29.762 -0.415 0.000 1.370 133 H HN 0.361 nan 8.280 nan 0.000 0.490 134 F N 0.499 120.425 119.950 -0.040 0.000 2.161 134 F HA -0.051 4.476 4.527 0.000 0.000 0.300 134 F C 2.804 178.549 175.800 -0.091 0.000 1.089 134 F CA 1.338 59.279 58.000 -0.099 0.000 1.282 134 F CB -1.109 37.892 39.000 0.002 0.000 1.010 134 F HN 0.382 nan 8.300 nan 0.000 0.485 135 G N -0.390 108.487 108.800 0.128 0.000 2.459 135 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 135 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 135 G C 1.948 176.854 174.900 0.011 0.000 1.183 135 G CA 1.082 46.219 45.100 0.062 0.000 0.776 135 G HN 0.475 nan 8.290 nan 0.000 0.552 136 A N 0.705 123.509 122.820 -0.027 0.000 1.908 136 A HA 0.006 4.326 4.320 -0.000 0.000 0.218 136 A C 2.436 179.985 177.584 -0.058 0.000 1.181 136 A CA 1.464 53.474 52.037 -0.046 0.000 0.627 136 A CB -0.386 18.575 19.000 -0.065 0.000 0.818 136 A HN 0.399 nan 8.150 nan 0.000 0.445 137 I N -0.237 120.274 120.570 -0.099 0.000 2.179 137 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 137 I C 2.922 179.026 176.117 -0.022 0.000 1.088 137 I CA 1.148 62.402 61.300 -0.076 0.000 1.357 137 I CB -0.364 37.575 38.000 -0.102 0.000 1.051 137 I HN 0.342 nan 8.210 nan 0.000 0.409 138 A N 0.543 123.364 122.820 0.002 0.000 2.070 138 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 138 A C 2.403 179.984 177.584 -0.005 0.000 1.159 138 A CA 1.721 53.760 52.037 0.004 0.000 0.656 138 A CB -0.615 18.393 19.000 0.012 0.000 0.800 138 A HN 0.460 nan 8.150 nan 0.000 0.453 139 A N -0.753 122.063 122.820 -0.007 0.000 2.123 139 A HA 0.443 4.762 4.320 -0.000 0.000 0.214 139 A C 2.255 179.833 177.584 -0.011 0.000 1.152 139 A CA 1.211 53.243 52.037 -0.007 0.000 0.728 139 A CB -0.537 18.460 19.000 -0.006 0.000 0.814 139 A HN 0.865 nan 8.150 nan 0.000 0.464 140 A N -0.407 122.404 122.820 -0.014 0.000 2.014 140 A HA 0.262 4.582 4.320 -0.000 0.000 0.218 140 A C 1.469 179.046 177.584 -0.012 0.000 1.163 140 A CA 1.811 53.840 52.037 -0.014 0.000 0.652 140 A CB -0.488 18.501 19.000 -0.018 0.000 0.808 140 A HN 0.806 nan 8.150 nan 0.000 0.449 141 T N -5.131 109.415 114.554 -0.013 0.000 2.778 141 T HA 0.513 4.863 4.350 -0.000 0.000 0.293 141 T C -0.414 174.274 174.700 -0.019 0.000 1.144 141 T CA -0.485 61.607 62.100 -0.014 0.000 1.010 141 T CB 1.302 70.162 68.868 -0.014 0.000 1.325 141 T HN -0.067 nan 8.240 nan 0.000 0.515 142 E N 0.356 120.542 120.200 -0.024 0.000 2.476 142 E HA 0.256 4.606 4.350 -0.000 0.000 0.196 142 E C 0.317 176.886 176.600 -0.051 0.000 1.029 142 E CA -0.053 56.328 56.400 -0.032 0.000 0.896 142 E CB 0.339 30.023 29.700 -0.027 0.000 1.012 142 E HN 0.511 nan 8.360 nan 0.000 0.475 143 V N 3.535 123.421 119.914 -0.048 0.000 2.572 143 V HA 0.090 4.210 4.120 -0.000 0.000 0.291 143 V C -2.119 173.924 176.094 -0.085 0.000 1.039 143 V CA -1.403 60.855 62.300 -0.069 0.000 1.055 143 V CB 0.340 32.136 31.823 -0.044 0.000 0.969 143 V HN -0.039 nan 8.190 nan 0.000 0.482 144 P HA 0.170 nan 4.420 nan 0.000 0.265 144 P C -0.485 176.866 177.300 0.085 0.000 1.193 144 P CA 0.371 63.380 63.100 -0.152 0.000 0.765 144 P CB 0.396 31.786 31.700 -0.517 0.000 0.823 145 I N 2.508 123.161 120.570 0.137 0.000 2.441 145 I HA 0.320 4.490 4.170 -0.000 0.000 0.295 145 I C -0.161 175.958 176.117 0.004 0.000 0.994 145 I CA -0.696 60.665 61.300 0.101 0.000 1.144 145 I CB 1.726 39.727 38.000 0.002 0.000 1.314 145 I HN 0.324 nan 8.210 nan 0.000 0.445 146 C N 7.860 127.083 119.300 -0.129 0.000 2.301 146 C HA 0.538 4.997 4.460 -0.000 0.000 0.323 146 C C 0.030 174.850 174.990 -0.283 0.000 1.265 146 C CA -0.675 58.082 59.018 -0.436 0.000 1.503 146 C CB -0.551 26.742 27.740 -0.746 0.000 2.195 146 C HN 0.654 nan 8.230 nan 0.000 0.477 147 L N 5.463 126.484 121.223 -0.337 0.000 2.439 147 L HA 0.255 4.595 4.340 -0.000 0.000 0.269 147 L C -0.362 176.426 176.870 -0.137 0.000 1.179 147 L CA -0.192 54.469 54.840 -0.298 0.000 0.828 147 L CB 0.328 42.099 42.059 -0.479 0.000 1.106 147 L HN 0.606 nan 8.230 nan 0.000 0.467 148 Y N 2.542 122.757 120.300 -0.142 0.000 2.447 148 Y HA 0.277 4.827 4.550 -0.000 0.000 0.325 148 Y C -0.707 175.177 175.900 -0.027 0.000 0.976 148 Y CA -1.889 56.160 58.100 -0.085 0.000 1.280 148 Y CB 0.867 39.321 38.460 -0.010 0.000 1.104 148 Y HN 0.468 nan 8.280 nan 0.000 0.486 149 D N 6.522 126.989 120.400 0.111 0.000 2.347 149 D HA 0.278 4.918 4.640 -0.000 0.000 0.235 149 D C -0.688 175.596 176.300 -0.026 0.000 1.149 149 D CA 0.238 54.243 54.000 0.007 0.000 0.850 149 D CB 0.258 41.058 40.800 -0.001 0.000 1.061 149 D HN 0.670 nan 8.370 nan 0.000 0.487 150 I N 6.019 126.510 120.570 -0.130 0.000 2.806 150 I HA 0.175 4.345 4.170 -0.000 0.000 0.272 150 I C -1.982 174.091 176.117 -0.073 0.000 1.558 150 I CA -1.591 59.633 61.300 -0.128 0.000 0.842 150 I CB 1.663 39.455 38.000 -0.346 0.000 1.567 150 I HN 0.151 nan 8.210 nan 0.000 0.561 151 P HA -0.125 nan 4.420 nan 0.000 0.218 151 P C 1.442 178.750 177.300 0.013 0.000 1.146 151 P CA 1.628 64.735 63.100 0.012 0.000 0.813 151 P CB 0.092 31.811 31.700 0.032 0.000 0.778 152 G N -0.212 108.597 108.800 0.014 0.000 2.470 152 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.220 152 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.220 152 G C 1.797 176.703 174.900 0.011 0.000 1.121 152 G CA 0.335 45.447 45.100 0.019 0.000 0.766 152 G HN 0.304 nan 8.290 nan 0.000 0.553 153 R N -0.660 119.834 120.500 -0.009 0.000 2.225 153 R HA 0.176 4.515 4.340 -0.000 0.000 0.194 153 R C 2.611 178.930 176.300 0.033 0.000 0.949 153 R CA 0.626 56.720 56.100 -0.010 0.000 1.088 153 R CB 0.121 30.387 30.300 -0.055 0.000 1.106 153 R HN 0.230 nan 8.270 nan 0.000 0.566 154 S N -0.678 115.046 115.700 0.040 0.000 2.425 154 S HA 0.108 4.577 4.470 -0.000 0.000 0.225 154 S C 1.362 176.013 174.600 0.085 0.000 1.024 154 S CA 1.012 59.279 58.200 0.112 0.000 0.951 154 S CB 0.739 63.979 63.200 0.068 0.000 0.796 154 S HN 0.637 nan 8.310 nan 0.000 0.498 155 G N 1.270 110.097 108.800 0.046 0.000 2.259 155 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 155 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 155 G C 0.072 174.979 174.900 0.011 0.000 1.001 155 G CA 0.020 45.138 45.100 0.030 0.000 0.627 155 G HN 0.650 nan 8.290 nan 0.000 0.501 156 I N -1.674 118.901 120.570 0.009 0.000 2.969 156 I HA 0.877 5.047 4.170 -0.000 0.000 0.307 156 I C -2.897 173.233 176.117 0.022 0.000 1.149 156 I CA -2.889 58.416 61.300 0.008 0.000 1.008 156 I CB 2.699 40.694 38.000 -0.009 0.000 1.232 156 I HN -0.012 nan 8.210 nan 0.000 0.435 157 P HA 0.516 nan 4.420 nan 0.000 0.290 157 P C -1.024 176.318 177.300 0.069 0.000 1.302 157 P CA -0.704 62.428 63.100 0.053 0.000 0.893 157 P CB 2.384 34.120 31.700 0.061 0.000 1.272 158 I N 1.014 121.633 120.570 0.083 0.000 2.287 158 I HA 0.188 4.358 4.170 -0.000 0.000 0.290 158 I C 0.967 177.138 176.117 0.091 0.000 1.069 158 I CA -0.387 60.971 61.300 0.097 0.000 1.237 158 I CB 0.179 38.222 38.000 0.072 0.000 1.418 158 I HN 0.239 nan 8.210 nan 0.000 0.481 159 E N 3.412 123.663 120.200 0.084 0.000 2.438 159 E HA 0.016 4.366 4.350 -0.000 0.000 0.261 159 E C 0.948 177.602 176.600 0.090 0.000 1.103 159 E CA -0.133 56.316 56.400 0.080 0.000 0.959 159 E CB 0.728 30.466 29.700 0.063 0.000 0.958 159 E HN 0.536 nan 8.360 nan 0.000 0.447 160 S N 1.585 117.341 115.700 0.093 0.000 2.365 160 S HA -0.189 4.281 4.470 -0.000 0.000 0.225 160 S C 1.193 175.842 174.600 0.082 0.000 1.039 160 S CA 1.374 59.633 58.200 0.100 0.000 1.033 160 S CB -0.163 63.087 63.200 0.084 0.000 0.887 160 S HN 0.491 nan 8.310 nan 0.000 0.447 161 D N 0.943 121.382 120.400 0.064 0.000 2.144 161 D HA -0.054 4.586 4.640 -0.000 0.000 0.199 161 D C 2.059 178.394 176.300 0.058 0.000 0.984 161 D CA 1.252 55.285 54.000 0.055 0.000 0.834 161 D CB -0.750 40.076 40.800 0.045 0.000 0.955 161 D HN 0.348 nan 8.370 nan 0.000 0.465 162 T N 0.901 115.493 114.554 0.064 0.000 2.788 162 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 162 T C 1.885 176.620 174.700 0.059 0.000 1.044 162 T CA 1.028 63.169 62.100 0.070 0.000 1.139 162 T CB -0.148 68.772 68.868 0.087 0.000 0.867 162 T HN 0.026 nan 8.240 nan 0.000 0.454 163 M N 1.304 120.940 119.600 0.060 0.000 2.159 163 M HA 0.021 4.501 4.480 -0.000 0.000 0.263 163 M C 2.106 178.436 176.300 0.049 0.000 1.063 163 M CA 1.454 56.780 55.300 0.042 0.000 1.110 163 M CB -0.294 32.367 32.600 0.101 0.000 1.374 163 M HN 0.012 nan 8.290 nan 0.000 0.411 164 R N -0.694 119.845 120.500 0.066 0.000 2.096 164 R HA -0.084 4.256 4.340 -0.000 0.000 0.235 164 R C 2.128 178.453 176.300 0.041 0.000 1.127 164 R CA 1.194 57.330 56.100 0.059 0.000 0.968 164 R CB -0.387 29.947 30.300 0.056 0.000 0.861 164 R HN 0.353 nan 8.270 nan 0.000 0.440 165 R N 1.030 121.554 120.500 0.039 0.000 2.066 165 R HA -0.067 4.273 4.340 -0.000 0.000 0.232 165 R C 2.365 178.680 176.300 0.026 0.000 1.131 165 R CA 1.143 57.264 56.100 0.035 0.000 0.955 165 R CB -1.004 29.322 30.300 0.043 0.000 0.851 165 R HN 0.273 nan 8.270 nan 0.000 0.432 166 L N 1.795 123.028 121.223 0.016 0.000 2.131 166 L HA -0.131 4.209 4.340 -0.000 0.000 0.210 166 L C 2.410 179.261 176.870 -0.031 0.000 1.092 166 L CA 1.563 56.393 54.840 -0.016 0.000 0.759 166 L CB -0.625 41.386 42.059 -0.081 0.000 0.903 166 L HN 0.268 nan 8.230 nan 0.000 0.435 167 S N -1.037 114.654 115.700 -0.015 0.000 2.547 167 S HA -0.152 4.317 4.470 -0.000 0.000 0.235 167 S C 1.523 176.128 174.600 0.008 0.000 0.980 167 S CA 0.831 59.029 58.200 -0.004 0.000 0.941 167 S CB -0.245 62.974 63.200 0.030 0.000 0.763 167 S HN 0.505 nan 8.310 nan 0.000 0.532 168 E N 0.563 120.769 120.200 0.010 0.000 2.299 168 E HA 0.201 4.551 4.350 -0.000 0.000 0.193 168 E C 0.004 176.609 176.600 0.009 0.000 0.998 168 E CA 0.013 56.421 56.400 0.014 0.000 0.851 168 E CB -0.057 29.654 29.700 0.018 0.000 0.795 168 E HN 0.556 nan 8.360 nan 0.000 0.492 169 L N 3.170 124.395 121.223 0.003 0.000 2.455 169 L HA 0.034 4.374 4.340 -0.000 0.000 0.272 169 L C -1.197 175.670 176.870 -0.005 0.000 1.174 169 L CA -1.177 53.663 54.840 0.000 0.000 0.869 169 L CB 0.223 42.281 42.059 -0.002 0.000 1.130 169 L HN -0.007 nan 8.230 nan 0.000 0.474 170 P HA -0.174 nan 4.420 nan 0.000 0.217 170 P C 1.146 178.434 177.300 -0.019 0.000 1.148 170 P CA 1.495 64.592 63.100 -0.006 0.000 0.828 170 P CB 0.019 31.717 31.700 -0.005 0.000 0.783 171 T N -3.929 110.610 114.554 -0.025 0.000 3.081 171 T HA 0.177 4.527 4.350 -0.000 0.000 0.250 171 T C 0.987 175.668 174.700 -0.032 0.000 1.100 171 T CA -0.174 61.902 62.100 -0.040 0.000 1.038 171 T CB -0.604 68.241 68.868 -0.038 0.000 0.962 171 T HN -0.007 nan 8.240 nan 0.000 0.516 172 I N 2.309 122.859 120.570 -0.034 0.000 2.347 172 I HA 0.269 4.438 4.170 -0.000 0.000 0.294 172 I C 0.479 176.572 176.117 -0.040 0.000 1.090 172 I CA -0.208 61.057 61.300 -0.059 0.000 1.314 172 I CB 0.907 38.850 38.000 -0.094 0.000 1.423 172 I HN 0.220 nan 8.210 nan 0.000 0.503 173 L N 6.327 127.544 121.223 -0.010 0.000 2.966 173 L HA 0.532 4.872 4.340 -0.000 0.000 0.262 173 L C 0.473 177.327 176.870 -0.025 0.000 1.165 173 L CA 0.013 54.880 54.840 0.045 0.000 0.978 173 L CB 0.370 42.528 42.059 0.166 0.000 1.337 173 L HN 0.669 nan 8.230 nan 0.000 0.563 174 A N -0.541 122.137 122.820 -0.237 0.000 2.599 174 A HA 0.816 5.136 4.320 -0.000 0.000 0.290 174 A C -1.231 176.026 177.584 -0.544 0.000 1.101 174 A CA -0.433 51.359 52.037 -0.409 0.000 0.674 174 A CB 1.706 20.312 19.000 -0.657 0.000 1.277 174 A HN -0.210 nan 8.150 nan 0.000 0.419 178 A N 3.901 126.854 122.820 0.222 0.000 2.589 178 A HA 0.172 4.492 4.320 -0.000 0.000 0.283 178 A C 1.380 179.088 177.584 0.206 0.000 1.187 178 A CA -0.195 51.991 52.037 0.250 0.000 0.957 178 A CB 0.297 19.468 19.000 0.285 0.000 1.175 178 A HN 0.348 nan 8.150 nan 0.000 0.532 179 K N -0.436 120.105 120.400 0.235 0.000 2.244 179 K HA 0.256 4.576 4.320 -0.000 0.000 0.200 179 K C 1.224 177.970 176.600 0.244 0.000 1.052 179 K CA 1.069 57.479 56.287 0.205 0.000 0.980 179 K CB -0.055 32.563 32.500 0.197 0.000 0.838 179 K HN 0.813 nan 8.250 nan 0.000 0.481 180 G N 2.096 111.127 108.800 0.386 0.000 2.160 180 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.251 180 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.251 180 G C -0.348 174.667 174.900 0.191 0.000 1.008 180 G CA 0.532 45.822 45.100 0.317 0.000 0.724 180 G HN 0.519 nan 8.290 nan 0.000 0.514 181 D N 0.712 121.259 120.400 0.245 0.000 2.470 181 D HA 0.294 4.934 4.640 -0.000 0.000 0.226 181 D C 1.939 178.316 176.300 0.129 0.000 1.196 181 D CA -0.432 53.658 54.000 0.150 0.000 0.979 181 D CB -0.182 40.712 40.800 0.156 0.000 1.059 181 D HN 0.319 nan 8.370 nan 0.000 0.515 182 L N 2.491 123.713 121.223 -0.003 0.000 2.191 182 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 182 L C 2.358 179.192 176.870 -0.061 0.000 1.103 182 L CA 0.432 55.204 54.840 -0.114 0.000 0.769 182 L CB -0.234 41.686 42.059 -0.232 0.000 0.908 182 L HN 0.266 nan 8.230 nan 0.000 0.438 183 V N 0.404 120.301 119.914 -0.028 0.000 2.261 183 V HA -0.288 3.831 4.120 -0.000 0.000 0.246 183 V C 2.795 178.880 176.094 -0.014 0.000 1.047 183 V CA 2.009 64.295 62.300 -0.023 0.000 1.015 183 V CB -0.835 30.983 31.823 -0.008 0.000 0.642 183 V HN 0.481 nan 8.190 nan 0.000 0.446 184 A N -0.196 122.634 122.820 0.018 0.000 1.898 184 A HA -0.037 4.283 4.320 -0.000 0.000 0.216 184 A C 2.386 179.955 177.584 -0.026 0.000 1.181 184 A CA 1.927 53.979 52.037 0.025 0.000 0.620 184 A CB -0.794 18.252 19.000 0.077 0.000 0.819 184 A HN 0.566 nan 8.150 nan 0.000 0.442 185 A N -1.024 121.774 122.820 -0.037 0.000 1.969 185 A HA -0.060 4.259 4.320 -0.000 0.000 0.218 185 A C 2.244 179.610 177.584 -0.363 0.000 1.169 185 A CA 2.175 54.023 52.037 -0.315 0.000 0.635 185 A CB -1.252 17.711 19.000 -0.061 0.000 0.810 185 A HN 0.414 nan 8.150 nan 0.000 0.445 186 T N -0.424 114.031 114.554 -0.164 0.000 2.699 186 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 186 T C 2.263 176.871 174.700 -0.153 0.000 1.036 186 T CA 1.953 63.967 62.100 -0.144 0.000 1.147 186 T CB -0.252 68.561 68.868 -0.092 0.000 0.862 186 T HN 0.607 nan 8.240 nan 0.000 0.446 187 S N 0.188 115.813 115.700 -0.125 0.000 2.406 187 S HA 0.117 4.587 4.470 -0.000 0.000 0.224 187 S C 2.046 176.585 174.600 -0.101 0.000 1.030 187 S CA 0.296 58.444 58.200 -0.088 0.000 0.958 187 S CB -0.372 62.802 63.200 -0.045 0.000 0.811 187 S HN 0.434 nan 8.310 nan 0.000 0.489 188 L N 1.141 122.279 121.223 -0.142 0.000 2.046 188 L HA -0.066 4.274 4.340 -0.000 0.000 0.208 188 L C 2.414 179.207 176.870 -0.129 0.000 1.077 188 L CA 1.266 56.062 54.840 -0.074 0.000 0.747 188 L CB -0.593 41.483 42.059 0.028 0.000 0.896 188 L HN 0.363 nan 8.230 nan 0.000 0.432 189 I N 0.037 120.336 120.570 -0.451 0.000 2.208 189 I HA -0.354 3.816 4.170 -0.000 0.000 0.245 189 I C 2.726 178.778 176.117 -0.109 0.000 1.097 189 I CA 1.585 62.637 61.300 -0.413 0.000 1.363 189 I CB -0.295 37.399 38.000 -0.509 0.000 1.051 189 I HN 0.288 nan 8.210 nan 0.000 0.413 190 K N 0.967 121.310 120.400 -0.095 0.000 2.116 190 K HA -0.140 4.180 4.320 -0.000 0.000 0.203 190 K C 1.870 178.469 176.600 -0.002 0.000 1.052 190 K CA 1.149 57.416 56.287 -0.034 0.000 0.952 190 K CB 0.124 32.602 32.500 -0.037 0.000 0.729 190 K HN 0.333 nan 8.250 nan 0.000 0.446 191 E N -0.052 120.149 120.200 0.002 0.000 2.008 191 E HA -0.130 4.220 4.350 -0.000 0.000 0.191 191 E C 1.994 178.624 176.600 0.051 0.000 0.986 191 E CA 1.838 58.253 56.400 0.025 0.000 0.807 191 E CB -0.204 29.512 29.700 0.026 0.000 0.766 191 E HN 0.461 nan 8.360 nan 0.000 0.450 192 T N -1.992 112.613 114.554 0.084 0.000 2.962 192 T HA 0.010 4.360 4.350 -0.000 0.000 0.270 192 T C 1.706 176.469 174.700 0.104 0.000 1.088 192 T CA 0.850 63.013 62.100 0.106 0.000 1.127 192 T CB -0.224 68.742 68.868 0.164 0.000 0.883 192 T HN 0.414 nan 8.240 nan 0.000 0.493 193 G N 1.107 109.973 108.800 0.109 0.000 2.168 193 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.263 193 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.263 193 G C -0.004 174.975 174.900 0.130 0.000 0.977 193 G CA 0.334 45.493 45.100 0.100 0.000 0.659 193 G HN 0.663 nan 8.290 nan 0.000 0.533 194 L N 0.734 122.071 121.223 0.190 0.000 2.397 194 L HA 0.578 4.918 4.340 -0.000 0.000 0.271 194 L C 1.178 178.190 176.870 0.236 0.000 1.148 194 L CA -0.150 54.784 54.840 0.157 0.000 0.825 194 L CB 1.146 43.257 42.059 0.087 0.000 1.117 194 L HN 0.307 nan 8.230 nan 0.000 0.456 195 A N 3.061 125.935 122.820 0.090 0.000 2.409 195 A HA 0.311 4.631 4.320 -0.000 0.000 0.267 195 A C -1.291 176.247 177.584 -0.077 0.000 1.127 195 A CA -0.255 51.814 52.037 0.054 0.000 0.795 195 A CB -0.087 18.958 19.000 0.076 0.000 1.061 195 A HN 0.595 nan 8.150 nan 0.000 0.502 196 W N 1.666 122.786 121.300 -0.300 0.000 2.433 196 W HA 0.587 5.247 4.660 -0.000 0.000 0.315 196 W C -0.795 175.405 176.519 -0.532 0.000 1.087 196 W CA 0.111 57.239 57.345 -0.362 0.000 1.205 196 W CB 0.813 30.058 29.460 -0.360 0.000 1.288 196 W HN 0.578 nan 8.180 nan 0.000 0.504 197 Y N 1.507 121.643 120.300 -0.274 0.000 2.393 197 Y HA 0.310 4.860 4.550 -0.000 0.000 0.341 197 Y C 0.563 176.279 175.900 -0.307 0.000 0.988 197 Y CA -1.043 56.921 58.100 -0.228 0.000 1.078 197 Y CB 2.083 40.398 38.460 -0.241 0.000 1.203 197 Y HN 0.254 nan 8.280 nan 0.000 0.453 198 S N 1.607 117.323 115.700 0.026 0.000 2.498 198 S HA 0.255 4.725 4.470 -0.000 0.000 0.281 198 S C 0.885 175.560 174.600 0.125 0.000 1.265 198 S CA 0.167 58.402 58.200 0.059 0.000 1.071 198 S CB -0.076 63.408 63.200 0.474 0.000 0.894 198 S HN 0.981 nan 8.310 nan 0.000 0.491 199 G N 3.151 112.009 108.800 0.097 0.000 3.502 199 G HA2 0.240 4.200 3.960 -0.000 0.000 0.267 199 G HA3 0.240 4.200 3.960 -0.000 0.000 0.267 199 G C -0.321 174.691 174.900 0.187 0.000 1.090 199 G CA -0.282 44.889 45.100 0.118 0.000 0.795 199 G HN 0.685 nan 8.290 nan 0.000 0.535 200 D N 0.057 120.588 120.400 0.218 0.000 2.478 200 D HA 0.101 4.741 4.640 -0.000 0.000 0.240 200 D C -0.060 176.326 176.300 0.144 0.000 1.364 200 D CA -0.408 53.704 54.000 0.187 0.000 0.987 200 D CB 1.542 42.474 40.800 0.219 0.000 1.328 200 D HN -0.129 nan 8.370 nan 0.000 0.584 201 D N 2.080 122.526 120.400 0.077 0.000 2.170 201 D HA -0.157 4.482 4.640 -0.000 0.000 0.193 201 D C -0.841 175.448 176.300 -0.018 0.000 1.004 201 D CA 1.107 55.109 54.000 0.003 0.000 0.860 201 D CB -0.474 40.326 40.800 -0.000 0.000 0.931 201 D HN 0.478 nan 8.370 nan 0.000 0.448 202 P HA -0.043 nan 4.420 nan 0.000 0.234 202 P C 1.265 178.557 177.300 -0.014 0.000 1.167 202 P CA 0.694 63.791 63.100 -0.006 0.000 0.763 202 P CB 0.015 31.719 31.700 0.007 0.000 0.835 203 L N -1.332 119.910 121.223 0.031 0.000 2.808 203 L HA 0.196 4.535 4.340 -0.000 0.000 0.246 203 L C 1.707 178.640 176.870 0.105 0.000 1.153 203 L CA -0.165 54.679 54.840 0.006 0.000 0.956 203 L CB -0.470 41.593 42.059 0.008 0.000 1.270 203 L HN -0.133 nan 8.230 nan 0.000 0.528 204 N N 1.266 119.982 118.700 0.028 0.000 2.018 204 N HA -0.227 4.513 4.740 -0.000 0.000 0.196 204 N C 1.776 177.325 175.510 0.065 0.000 1.043 204 N CA 1.465 54.470 53.050 -0.075 0.000 0.856 204 N CB -0.231 37.777 38.487 -0.798 0.000 1.042 204 N HN 0.213 nan 8.380 nan 0.000 0.423 205 L N 1.166 122.361 121.223 -0.047 0.000 2.093 205 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 205 L C 2.064 178.894 176.870 -0.067 0.000 1.085 205 L CA 1.137 55.961 54.840 -0.028 0.000 0.755 205 L CB -0.595 41.455 42.059 -0.015 0.000 0.904 205 L HN -0.081 nan 8.230 nan 0.000 0.435 206 V N -1.197 118.665 119.914 -0.088 0.000 2.287 206 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 206 V C 2.226 178.202 176.094 -0.197 0.000 1.053 206 V CA 2.368 64.554 62.300 -0.190 0.000 1.027 206 V CB -0.945 30.685 31.823 -0.321 0.000 0.646 206 V HN 0.583 nan 8.190 nan 0.000 0.447 207 W N -0.476 120.814 121.300 -0.017 0.000 2.402 207 W HA -0.052 4.608 4.660 -0.000 0.000 0.286 207 W C 2.322 178.781 176.519 -0.099 0.000 1.221 207 W CA 0.538 57.878 57.345 -0.008 0.000 1.257 207 W CB -0.276 29.236 29.460 0.087 0.000 1.120 207 W HN 0.169 nan 8.180 nan 0.000 0.551 208 L N -0.190 121.035 121.223 0.004 0.000 2.046 208 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 208 L C 2.640 179.229 176.870 -0.468 0.000 1.077 208 L CA 1.243 55.833 54.840 -0.417 0.000 0.747 208 L CB -1.246 40.227 42.059 -0.976 0.000 0.896 208 L HN -0.010 nan 8.230 nan 0.000 0.432 209 A N -0.120 122.516 122.820 -0.308 0.000 2.019 209 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 209 A C 2.076 179.692 177.584 0.053 0.000 1.164 209 A CA 1.242 53.299 52.037 0.034 0.000 0.644 209 A CB -0.498 18.539 19.000 0.061 0.000 0.805 209 A HN 0.422 nan 8.150 nan 0.000 0.449 210 L N -1.548 119.681 121.223 0.009 0.000 2.592 210 L HA 0.244 4.584 4.340 -0.000 0.000 0.227 210 L C 1.416 178.313 176.870 0.045 0.000 1.127 210 L CA 0.539 55.390 54.840 0.019 0.000 0.884 210 L CB 0.001 42.055 42.059 -0.008 0.000 1.065 210 L HN 0.579 nan 8.230 nan 0.000 0.457 211 G N -0.193 108.642 108.800 0.058 0.000 2.143 211 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.175 211 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.175 211 G C 0.470 175.393 174.900 0.038 0.000 1.004 211 G CA -0.374 44.753 45.100 0.045 0.000 0.671 211 G HN 0.452 nan 8.290 nan 0.000 0.512 212 G N -0.318 108.519 108.800 0.062 0.000 2.606 212 G HA2 0.492 4.452 3.960 -0.000 0.000 0.252 212 G HA3 0.492 4.452 3.960 -0.000 0.000 0.252 212 G C 0.925 175.765 174.900 -0.101 0.000 1.206 212 G CA 0.724 45.837 45.100 0.023 0.000 0.861 212 G HN 0.628 nan 8.290 nan 0.000 0.561 213 S N -0.547 114.973 115.700 -0.300 0.000 2.524 213 S HA 0.459 4.929 4.470 -0.000 0.000 0.215 213 S C 0.944 175.339 174.600 -0.341 0.000 0.986 213 S CA 0.484 58.477 58.200 -0.344 0.000 0.911 213 S CB 0.240 63.130 63.200 -0.517 0.000 0.805 213 S HN 1.405 nan 8.310 nan 0.000 0.501 214 G N 0.821 109.373 108.800 -0.414 0.000 2.351 214 G HA2 0.381 4.341 3.960 -0.000 0.000 0.279 214 G HA3 0.381 4.341 3.960 -0.000 0.000 0.279 214 G C -1.951 172.817 174.900 -0.220 0.000 1.297 214 G CA -0.961 43.866 45.100 -0.455 0.000 0.886 214 G HN 0.213 nan 8.290 nan 0.000 0.493 215 F N -1.048 119.057 119.950 0.259 0.000 2.613 215 F HA 0.822 5.349 4.527 -0.000 0.000 0.314 215 F C -0.047 175.809 175.800 0.093 0.000 1.075 215 F CA -1.198 56.914 58.000 0.187 0.000 0.945 215 F CB 2.238 41.315 39.000 0.129 0.000 1.310 215 F HN 0.321 nan 8.300 nan 0.000 0.467 216 I N 1.796 122.500 120.570 0.224 0.000 2.668 216 I HA 0.206 4.376 4.170 -0.000 0.000 0.276 216 I C -0.166 175.992 176.117 0.068 0.000 1.139 216 I CA -0.173 61.149 61.300 0.037 0.000 1.133 216 I CB 1.157 39.081 38.000 -0.127 0.000 1.327 216 I HN 0.693 nan 8.210 nan 0.000 0.520 217 S N 2.910 118.672 115.700 0.103 0.000 2.655 217 S HA 0.493 4.963 4.470 -0.000 0.000 0.265 217 S C 0.815 175.471 174.600 0.093 0.000 1.240 217 S CA -0.295 57.958 58.200 0.088 0.000 0.986 217 S CB 1.682 64.931 63.200 0.082 0.000 0.985 217 S HN 0.293 nan 8.310 nan 0.000 0.562 218 V N 2.133 122.119 119.914 0.120 0.000 2.840 218 V HA 0.101 4.220 4.120 -0.000 0.000 0.234 218 V C 1.937 178.176 176.094 0.241 0.000 1.159 218 V CA 0.860 63.276 62.300 0.193 0.000 1.194 218 V CB -0.538 31.355 31.823 0.115 0.000 0.971 218 V HN 0.910 nan 8.190 nan 0.000 0.494 219 I N 0.159 120.805 120.570 0.128 0.000 2.850 219 I HA 0.003 4.173 4.170 -0.000 0.000 0.266 219 I C 2.063 178.250 176.117 0.116 0.000 1.257 219 I CA 1.570 62.934 61.300 0.107 0.000 1.465 219 I CB -1.017 37.015 38.000 0.053 0.000 1.091 219 I HN 0.274 nan 8.210 nan 0.000 0.467 220 G N 0.819 109.678 108.800 0.099 0.000 2.479 220 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.220 220 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.220 220 G C 1.143 176.069 174.900 0.044 0.000 1.115 220 G CA 1.035 46.163 45.100 0.046 0.000 0.757 220 G HN 0.530 nan 8.290 nan 0.000 0.560 221 H N 0.336 119.438 119.070 0.055 0.000 2.387 221 H HA 0.174 4.730 4.556 -0.000 0.000 0.299 221 H C 2.712 178.102 175.328 0.102 0.000 1.090 221 H CA 1.480 57.574 56.048 0.076 0.000 1.332 221 H CB 0.110 29.901 29.762 0.047 0.000 1.386 221 H HN 0.419 nan 8.280 nan 0.000 0.516 222 A N -0.415 122.526 122.820 0.202 0.000 2.095 222 A HA 0.523 4.843 4.320 -0.000 0.000 0.212 222 A C 1.417 179.068 177.584 0.112 0.000 1.162 222 A CA 0.677 52.798 52.037 0.140 0.000 0.753 222 A CB 0.241 19.298 19.000 0.095 0.000 0.840 222 A HN 0.328 nan 8.150 nan 0.000 0.468 223 A N -0.156 122.719 122.820 0.091 0.000 3.365 223 A HA 0.528 4.848 4.320 -0.000 0.000 0.258 223 A C -1.503 176.108 177.584 0.045 0.000 0.964 223 A CA -0.521 51.553 52.037 0.062 0.000 0.988 223 A CB 0.345 19.374 19.000 0.048 0.000 1.193 223 A HN 0.168 nan 8.150 nan 0.000 0.508 224 P HA -0.172 nan 4.420 nan 0.000 0.215 224 P C 1.450 178.750 177.300 -0.001 0.000 1.157 224 P CA 1.867 64.964 63.100 -0.006 0.000 0.868 224 P CB -0.055 31.602 31.700 -0.072 0.000 0.788 225 T N 0.286 114.832 114.554 -0.013 0.000 2.746 225 T HA -0.073 4.276 4.350 -0.000 0.000 0.267 225 T C 2.139 176.863 174.700 0.040 0.000 1.039 225 T CA 1.720 63.821 62.100 0.002 0.000 1.142 225 T CB -0.884 67.980 68.868 -0.008 0.000 0.866 225 T HN 0.111 nan 8.240 nan 0.000 0.444 226 A N 1.427 124.273 122.820 0.043 0.000 1.877 226 A HA -0.005 4.315 4.320 -0.000 0.000 0.216 226 A C 2.338 179.973 177.584 0.084 0.000 1.186 226 A CA 1.197 53.267 52.037 0.056 0.000 0.620 226 A CB -0.929 18.096 19.000 0.042 0.000 0.822 226 A HN 0.455 nan 8.150 nan 0.000 0.443 227 L N -1.063 120.213 121.223 0.088 0.000 2.042 227 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 227 L C 2.819 179.856 176.870 0.277 0.000 1.076 227 L CA 1.886 56.816 54.840 0.151 0.000 0.749 227 L CB -0.474 41.672 42.059 0.145 0.000 0.893 227 L HN 0.455 nan 8.230 nan 0.000 0.432 228 R N 0.741 121.353 120.500 0.187 0.000 2.081 228 R HA -0.223 4.117 4.340 -0.000 0.000 0.235 228 R C 2.050 178.486 176.300 0.228 0.000 1.131 228 R CA 1.878 58.086 56.100 0.180 0.000 0.960 228 R CB -0.474 29.873 30.300 0.079 0.000 0.856 228 R HN 0.399 nan 8.270 nan 0.000 0.436 229 E N -0.162 120.139 120.200 0.168 0.000 2.106 229 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 229 E C 1.945 178.657 176.600 0.187 0.000 0.984 229 E CA 1.040 57.530 56.400 0.150 0.000 0.806 229 E CB -0.154 29.604 29.700 0.098 0.000 0.750 229 E HN 0.440 nan 8.360 nan 0.000 0.458 230 L N 0.245 121.599 121.223 0.218 0.000 2.012 230 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 230 L C 2.430 179.502 176.870 0.336 0.000 1.073 230 L CA 1.764 56.744 54.840 0.233 0.000 0.748 230 L CB -0.416 41.756 42.059 0.188 0.000 0.891 230 L HN 0.307 nan 8.230 nan 0.000 0.431 231 Y N 0.826 121.324 120.300 0.330 0.000 2.070 231 Y HA -0.351 4.199 4.550 -0.000 0.000 0.280 231 Y C 2.934 178.955 175.900 0.201 0.000 1.148 231 Y CA 2.797 61.054 58.100 0.262 0.000 1.125 231 Y CB -0.643 37.883 38.460 0.108 0.000 0.975 231 Y HN 0.418 nan 8.280 nan 0.000 0.492 232 T N -2.525 112.217 114.554 0.313 0.000 2.720 232 T HA -0.209 4.141 4.350 -0.000 0.000 0.268 232 T C 2.080 176.824 174.700 0.073 0.000 1.037 232 T CA 1.813 64.018 62.100 0.175 0.000 1.144 232 T CB -0.994 67.984 68.868 0.182 0.000 0.864 232 T HN 0.357 nan 8.240 nan 0.000 0.444 233 S N 0.959 116.722 115.700 0.105 0.000 2.359 233 S HA -0.013 4.457 4.470 -0.000 0.000 0.224 233 S C 1.442 176.072 174.600 0.049 0.000 1.035 233 S CA 1.429 59.673 58.200 0.073 0.000 1.018 233 S CB -0.722 62.536 63.200 0.097 0.000 0.876 233 S HN 0.590 nan 8.310 nan 0.000 0.448 234 F N 2.406 122.322 119.950 -0.057 0.000 2.102 234 F HA -0.128 4.399 4.527 -0.000 0.000 0.298 234 F C 2.365 178.081 175.800 -0.140 0.000 1.105 234 F CA 1.886 59.834 58.000 -0.087 0.000 1.239 234 F CB -0.438 38.507 39.000 -0.092 0.000 0.991 234 F HN 0.139 nan 8.300 nan 0.000 0.474 235 E N 0.728 120.889 120.200 -0.065 0.000 2.097 235 E HA -0.257 4.093 4.350 -0.000 0.000 0.196 235 E C 1.712 178.227 176.600 -0.141 0.000 1.000 235 E CA 2.148 58.461 56.400 -0.144 0.000 0.804 235 E CB -0.393 29.200 29.700 -0.178 0.000 0.740 235 E HN 0.637 nan 8.360 nan 0.000 0.454 236 E N -1.504 118.634 120.200 -0.105 0.000 2.489 236 E HA 0.144 4.494 4.350 -0.000 0.000 0.193 236 E C 0.949 177.475 176.600 -0.122 0.000 1.057 236 E CA 0.344 56.693 56.400 -0.084 0.000 0.866 236 E CB 0.358 30.036 29.700 -0.036 0.000 0.916 236 E HN 0.438 nan 8.360 nan 0.000 0.500 237 G N 2.344 111.021 108.800 -0.205 0.000 2.157 237 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 237 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 237 G C 0.097 174.910 174.900 -0.145 0.000 0.979 237 G CA 0.172 45.139 45.100 -0.222 0.000 0.650 237 G HN 0.290 nan 8.290 nan 0.000 0.529 238 D N 1.283 121.626 120.400 -0.095 0.000 2.619 238 D HA 0.293 4.933 4.640 -0.000 0.000 0.224 238 D C 1.954 178.239 176.300 -0.024 0.000 1.133 238 D CA -0.540 53.433 54.000 -0.044 0.000 1.017 238 D CB -0.204 40.587 40.800 -0.015 0.000 1.077 238 D HN 0.120 nan 8.370 nan 0.000 0.503 239 L N 1.908 123.106 121.223 -0.042 0.000 2.083 239 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 239 L C 2.349 179.236 176.870 0.028 0.000 1.083 239 L CA 0.760 55.603 54.840 0.005 0.000 0.752 239 L CB -0.756 41.294 42.059 -0.014 0.000 0.899 239 L HN 0.242 nan 8.230 nan 0.000 0.433 240 V N -0.084 119.836 119.914 0.010 0.000 2.332 240 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 240 V C 2.753 178.861 176.094 0.024 0.000 1.055 240 V CA 1.727 64.036 62.300 0.014 0.000 1.038 240 V CB -0.635 31.192 31.823 0.005 0.000 0.651 240 V HN 0.376 nan 8.190 nan 0.000 0.450 241 R N 0.982 121.498 120.500 0.025 0.000 2.081 241 R HA -0.086 4.254 4.340 -0.000 0.000 0.235 241 R C 2.159 178.490 176.300 0.051 0.000 1.131 241 R CA 1.895 58.016 56.100 0.034 0.000 0.960 241 R CB -0.999 29.321 30.300 0.033 0.000 0.856 241 R HN 0.451 nan 8.270 nan 0.000 0.436 242 A N 1.379 124.241 122.820 0.070 0.000 1.877 242 A HA -0.213 4.106 4.320 -0.000 0.000 0.216 242 A C 2.120 179.747 177.584 0.072 0.000 1.186 242 A CA 1.907 54.004 52.037 0.100 0.000 0.620 242 A CB -0.625 18.476 19.000 0.168 0.000 0.822 242 A HN 0.567 nan 8.150 nan 0.000 0.443 243 R N -0.243 120.293 120.500 0.059 0.000 2.189 243 R HA -0.006 4.333 4.340 -0.000 0.000 0.218 243 R C 1.537 177.852 176.300 0.025 0.000 1.074 243 R CA 1.458 57.580 56.100 0.037 0.000 0.991 243 R CB -0.407 29.912 30.300 0.031 0.000 0.883 243 R HN 0.597 nan 8.270 nan 0.000 0.457 244 E N 1.172 121.389 120.200 0.027 0.000 2.107 244 E HA -0.058 4.291 4.350 -0.000 0.000 0.191 244 E C 1.996 178.609 176.600 0.021 0.000 0.982 244 E CA 1.122 57.535 56.400 0.021 0.000 0.809 244 E CB -0.051 29.662 29.700 0.021 0.000 0.756 244 E HN 0.375 nan 8.360 nan 0.000 0.459 245 I N 1.365 121.953 120.570 0.029 0.000 2.202 245 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 245 I C 2.379 178.505 176.117 0.015 0.000 1.091 245 I CA 0.969 62.286 61.300 0.028 0.000 1.368 245 I CB -0.291 37.736 38.000 0.045 0.000 1.058 245 I HN 0.098 nan 8.210 nan 0.000 0.410 246 N N 1.297 120.003 118.700 0.010 0.000 2.043 246 N HA -0.204 4.536 4.740 -0.000 0.000 0.193 246 N C 1.839 177.344 175.510 -0.009 0.000 1.037 246 N CA 1.992 55.035 53.050 -0.011 0.000 0.851 246 N CB -0.133 38.347 38.487 -0.012 0.000 1.027 246 N HN 0.323 nan 8.380 nan 0.000 0.422 247 A N 0.062 122.882 122.820 -0.000 0.000 1.933 247 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 247 A C 2.128 179.714 177.584 0.003 0.000 1.175 247 A CA 1.709 53.747 52.037 0.000 0.000 0.628 247 A CB -0.669 18.333 19.000 0.003 0.000 0.814 247 A HN 0.334 nan 8.150 nan 0.000 0.444 248 K N 0.257 120.661 120.400 0.007 0.000 2.063 248 K HA -0.046 4.274 4.320 -0.000 0.000 0.208 248 K C 1.481 178.086 176.600 0.008 0.000 1.048 248 K CA 1.541 57.834 56.287 0.010 0.000 0.928 248 K CB -0.556 31.952 32.500 0.014 0.000 0.713 248 K HN 0.480 nan 8.250 nan 0.000 0.442 249 L N 0.488 121.714 121.223 0.005 0.000 2.610 249 L HA 0.009 4.349 4.340 -0.000 0.000 0.232 249 L C 1.788 178.659 176.870 0.002 0.000 1.149 249 L CA 0.215 55.057 54.840 0.004 0.000 0.872 249 L CB -0.256 41.800 42.059 -0.004 0.000 0.992 249 L HN 0.114 nan 8.230 nan 0.000 0.447 250 S N 1.010 116.710 115.700 0.000 0.000 2.380 250 S HA -0.148 4.322 4.470 -0.000 0.000 0.229 250 S C -0.380 174.223 174.600 0.005 0.000 1.043 250 S CA 1.656 59.857 58.200 0.000 0.000 1.038 250 S CB -1.006 62.194 63.200 -0.000 0.000 0.872 250 S HN 0.345 nan 8.310 nan 0.000 0.456 251 P HA -0.074 nan 4.420 nan 0.000 0.217 251 P C 1.280 178.586 177.300 0.011 0.000 1.148 251 P CA 0.896 64.001 63.100 0.009 0.000 0.828 251 P CB -0.137 31.569 31.700 0.010 0.000 0.783 252 L N -1.546 119.685 121.223 0.013 0.000 2.046 252 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 252 L C 2.351 179.230 176.870 0.016 0.000 1.077 252 L CA 1.255 56.105 54.840 0.017 0.000 0.747 252 L CB -1.175 40.897 42.059 0.022 0.000 0.896 252 L HN -0.118 nan 8.230 nan 0.000 0.432 253 V N 0.289 120.210 119.914 0.013 0.000 2.343 253 V HA -0.309 3.810 4.120 -0.000 0.000 0.247 253 V C 2.803 178.905 176.094 0.014 0.000 1.051 253 V CA 1.878 64.186 62.300 0.014 0.000 1.036 253 V CB -0.829 30.999 31.823 0.009 0.000 0.654 253 V HN 0.486 nan 8.190 nan 0.000 0.451 254 A N -0.052 122.774 122.820 0.011 0.000 1.883 254 A HA -0.162 4.157 4.320 -0.000 0.000 0.217 254 A C 2.433 180.023 177.584 0.010 0.000 1.186 254 A CA 2.246 54.289 52.037 0.010 0.000 0.624 254 A CB -0.857 18.148 19.000 0.008 0.000 0.822 254 A HN 0.588 nan 8.150 nan 0.000 0.444 255 A N -1.007 121.819 122.820 0.010 0.000 1.902 255 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 255 A C 2.202 179.791 177.584 0.009 0.000 1.181 255 A CA 1.826 53.868 52.037 0.009 0.000 0.623 255 A CB -0.602 18.403 19.000 0.008 0.000 0.818 255 A HN 0.666 nan 8.150 nan 0.000 0.443 256 Q N -0.691 119.117 119.800 0.013 0.000 2.124 256 Q HA -0.131 4.209 4.340 -0.000 0.000 0.202 256 Q C 2.036 178.045 176.000 0.016 0.000 0.977 256 Q CA 1.508 57.321 55.803 0.015 0.000 0.850 256 Q CB -0.472 28.281 28.738 0.024 0.000 0.901 256 Q HN 0.615 nan 8.270 nan 0.000 0.429 257 G N 0.459 109.269 108.800 0.017 0.000 2.422 257 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.218 257 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.218 257 G C 1.391 176.298 174.900 0.012 0.000 1.146 257 G CA 0.489 45.599 45.100 0.017 0.000 0.769 257 G HN 0.275 nan 8.290 nan 0.000 0.547 258 R N -0.479 120.027 120.500 0.009 0.000 2.100 258 R HA 0.234 4.574 4.340 -0.000 0.000 0.220 258 R C 2.360 178.663 176.300 0.005 0.000 1.091 258 R CA 0.575 56.679 56.100 0.007 0.000 0.986 258 R CB -0.218 30.085 30.300 0.006 0.000 0.888 258 R HN 0.334 nan 8.270 nan 0.000 0.444 259 L N -0.703 120.522 121.223 0.004 0.000 2.408 259 L HA 0.285 4.625 4.340 -0.000 0.000 0.215 259 L C 0.721 177.591 176.870 -0.001 0.000 1.081 259 L CA 0.210 55.050 54.840 0.000 0.000 0.840 259 L CB 0.062 42.119 42.059 -0.004 0.000 1.002 259 L HN 0.311 nan 8.230 nan 0.000 0.468 260 G N -0.561 108.241 108.800 0.003 0.000 2.712 260 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.686 260 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.686 260 G C 0.576 175.475 174.900 -0.001 0.000 1.181 260 G CA -0.501 44.602 45.100 0.005 0.000 0.762 260 G HN 0.209 nan 8.290 nan 0.000 0.641 261 G N -0.404 108.400 108.800 0.007 0.000 2.476 261 G HA2 -0.003 3.956 3.960 -0.000 0.000 0.218 261 G HA3 -0.003 3.956 3.960 -0.000 0.000 0.218 261 G C 1.966 176.840 174.900 -0.045 0.000 1.164 261 G CA 2.612 47.711 45.100 -0.002 0.000 0.768 261 G HN 1.477 nan 8.290 nan 0.000 0.560 262 V N 1.148 121.038 119.914 -0.039 0.000 2.223 262 V HA -0.208 3.911 4.120 -0.000 0.000 0.244 262 V C 3.133 179.183 176.094 -0.073 0.000 1.045 262 V CA 2.395 64.656 62.300 -0.065 0.000 1.000 262 V CB -0.947 30.857 31.823 -0.031 0.000 0.635 262 V HN 0.406 nan 8.190 nan 0.000 0.445 263 S N 0.344 116.020 115.700 -0.041 0.000 2.374 263 S HA -0.232 4.238 4.470 -0.000 0.000 0.227 263 S C 1.878 176.450 174.600 -0.046 0.000 1.037 263 S CA 2.037 60.217 58.200 -0.034 0.000 1.024 263 S CB -0.548 62.642 63.200 -0.017 0.000 0.861 263 S HN 0.461 nan 8.310 nan 0.000 0.456 264 L N 2.030 123.226 121.223 -0.045 0.000 1.994 264 L HA 0.011 4.351 4.340 -0.000 0.000 0.208 264 L C 2.396 179.222 176.870 -0.074 0.000 1.071 264 L CA 2.031 56.846 54.840 -0.042 0.000 0.745 264 L CB -1.201 40.843 42.059 -0.024 0.000 0.892 264 L HN 0.220 nan 8.230 nan 0.000 0.431 265 A N -0.400 122.337 122.820 -0.139 0.000 1.883 265 A HA -0.255 4.065 4.320 -0.000 0.000 0.217 265 A C 2.355 179.810 177.584 -0.217 0.000 1.186 265 A CA 2.256 54.130 52.037 -0.273 0.000 0.624 265 A CB -0.609 18.017 19.000 -0.624 0.000 0.822 265 A HN 0.560 nan 8.150 nan 0.000 0.444 266 K N -0.630 119.665 120.400 -0.176 0.000 2.062 266 K HA 0.024 4.344 4.320 -0.000 0.000 0.205 266 K C 2.327 178.883 176.600 -0.074 0.000 1.051 266 K CA 0.978 57.191 56.287 -0.124 0.000 0.941 266 K CB -0.280 32.157 32.500 -0.105 0.000 0.719 266 K HN 0.440 nan 8.250 nan 0.000 0.440 267 A N 1.567 124.353 122.820 -0.058 0.000 1.930 267 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 267 A C 2.358 179.925 177.584 -0.029 0.000 1.175 267 A CA 1.715 53.730 52.037 -0.035 0.000 0.627 267 A CB -0.545 18.440 19.000 -0.025 0.000 0.815 267 A HN 0.314 nan 8.150 nan 0.000 0.443 268 A N -0.254 122.549 122.820 -0.029 0.000 1.898 268 A HA 0.002 4.322 4.320 -0.000 0.000 0.216 268 A C 2.166 179.745 177.584 -0.008 0.000 1.181 268 A CA 1.391 53.422 52.037 -0.009 0.000 0.620 268 A CB -0.569 18.435 19.000 0.007 0.000 0.819 268 A HN 0.457 nan 8.150 nan 0.000 0.442 269 L N -1.007 120.203 121.223 -0.022 0.000 2.017 269 L HA -0.196 4.143 4.340 -0.000 0.000 0.208 269 L C 2.804 179.641 176.870 -0.055 0.000 1.073 269 L CA 1.829 56.648 54.840 -0.036 0.000 0.745 269 L CB -0.459 41.572 42.059 -0.047 0.000 0.894 269 L HN 0.491 nan 8.230 nan 0.000 0.432 270 R N 0.624 121.095 120.500 -0.048 0.000 2.083 270 R HA -0.195 4.144 4.340 -0.000 0.000 0.237 270 R C 2.296 178.577 176.300 -0.032 0.000 1.137 270 R CA 1.532 57.607 56.100 -0.042 0.000 0.951 270 R CB -0.315 29.966 30.300 -0.032 0.000 0.851 270 R HN 0.308 nan 8.270 nan 0.000 0.434 271 L N 0.443 121.653 121.223 -0.022 0.000 2.265 271 L HA -0.167 4.172 4.340 -0.000 0.000 0.215 271 L C 1.803 178.666 176.870 -0.011 0.000 1.117 271 L CA 1.282 56.114 54.840 -0.013 0.000 0.782 271 L CB -0.155 41.901 42.059 -0.005 0.000 0.914 271 L HN 0.371 nan 8.230 nan 0.000 0.441 272 Q N -0.619 119.170 119.800 -0.018 0.000 2.280 272 Q HA 0.157 4.496 4.340 -0.000 0.000 0.202 272 Q C 1.160 177.135 176.000 -0.043 0.000 0.903 272 Q CA 0.474 56.268 55.803 -0.015 0.000 0.948 272 Q CB 0.745 29.483 28.738 0.000 0.000 1.058 272 Q HN 0.517 nan 8.270 nan 0.000 0.493 273 G N 1.375 110.146 108.800 -0.049 0.000 2.141 273 G HA2 -0.239 3.720 3.960 -0.000 0.000 0.231 273 G HA3 -0.239 3.720 3.960 -0.000 0.000 0.231 273 G C 0.032 174.877 174.900 -0.091 0.000 0.984 273 G CA -0.333 44.733 45.100 -0.057 0.000 0.660 273 G HN 0.346 nan 8.290 nan 0.000 0.525 274 I N 1.298 121.797 120.570 -0.117 0.000 2.464 274 I HA 0.221 4.391 4.170 -0.000 0.000 0.277 274 I C -0.131 175.928 176.117 -0.098 0.000 1.040 274 I CA -0.933 60.279 61.300 -0.147 0.000 1.153 274 I CB 1.211 39.051 38.000 -0.266 0.000 1.274 274 I HN 0.052 nan 8.210 nan 0.000 0.469 275 N N 5.606 124.264 118.700 -0.070 0.000 2.411 275 N HA 0.154 4.894 4.740 -0.000 0.000 0.259 275 N C 0.324 175.805 175.510 -0.049 0.000 1.103 275 N CA -0.138 52.883 53.050 -0.049 0.000 0.954 275 N CB 1.405 39.873 38.487 -0.031 0.000 1.085 275 N HN 0.438 nan 8.380 nan 0.000 0.485 276 V N 1.118 121.000 119.914 -0.053 0.000 3.070 276 V HA 0.590 4.710 4.120 -0.000 0.000 0.345 276 V C 0.977 177.039 176.094 -0.054 0.000 1.403 276 V CA 0.067 62.328 62.300 -0.065 0.000 1.155 276 V CB -0.521 31.246 31.823 -0.095 0.000 1.140 276 V HN 0.751 nan 8.190 nan 0.000 0.505 277 G N 0.854 109.646 108.800 -0.012 0.000 2.693 277 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.226 277 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.226 277 G C -0.909 174.010 174.900 0.032 0.000 1.354 277 G CA 0.152 45.272 45.100 0.034 0.000 0.873 277 G HN 0.523 nan 8.290 nan 0.000 0.562 278 D N 1.142 121.594 120.400 0.086 0.000 2.392 278 D HA 0.686 5.326 4.640 -0.000 0.000 0.246 278 D C -1.927 174.471 176.300 0.164 0.000 1.013 278 D CA -0.765 53.282 54.000 0.078 0.000 0.993 278 D CB 1.737 42.572 40.800 0.060 0.000 1.219 278 D HN 0.364 nan 8.370 nan 0.000 0.538 279 P HA 0.295 nan 4.420 nan 0.000 0.278 279 P C -0.527 176.875 177.300 0.171 0.000 1.266 279 P CA -0.520 62.691 63.100 0.185 0.000 0.807 279 P CB 1.325 33.074 31.700 0.082 0.000 1.094 280 R N 0.150 120.752 120.500 0.170 0.000 2.404 280 R HA 0.443 4.783 4.340 -0.000 0.000 0.291 280 R C 0.188 176.495 176.300 0.012 0.000 1.025 280 R CA -0.991 55.123 56.100 0.023 0.000 0.991 280 R CB 0.409 30.667 30.300 -0.070 0.000 1.053 280 R HN 0.439 nan 8.270 nan 0.000 0.479 281 L N 4.090 125.303 121.223 -0.016 0.000 2.506 281 L HA 0.033 4.373 4.340 -0.000 0.000 0.281 281 L C -0.805 176.052 176.870 -0.021 0.000 1.228 281 L CA -0.901 53.930 54.840 -0.016 0.000 0.850 281 L CB 0.288 42.333 42.059 -0.024 0.000 1.110 281 L HN 0.519 nan 8.230 nan 0.000 0.496 282 P HA 0.029 nan 4.420 nan 0.000 0.242 282 P C 0.126 177.420 177.300 -0.010 0.000 1.197 282 P CA 0.427 63.516 63.100 -0.018 0.000 0.765 282 P CB 0.166 31.850 31.700 -0.026 0.000 0.936 283 I N 0.968 121.538 120.570 -0.001 0.000 2.575 283 I HA 0.227 4.397 4.170 -0.000 0.000 0.285 283 I C 0.946 177.069 176.117 0.011 0.000 1.085 283 I CA -0.095 61.209 61.300 0.006 0.000 1.403 283 I CB 0.198 38.209 38.000 0.018 0.000 1.409 283 I HN -0.042 nan 8.210 nan 0.000 0.557 284 M N 3.669 123.273 119.600 0.007 0.000 2.572 284 M HA 0.576 5.056 4.480 -0.000 0.000 0.299 284 M C -0.154 176.148 176.300 0.005 0.000 1.205 284 M CA -0.747 54.557 55.300 0.007 0.000 0.876 284 M CB 2.393 34.994 32.600 0.002 0.000 1.728 284 M HN 0.649 nan 8.290 nan 0.000 0.458 285 A N 2.086 124.909 122.820 0.006 0.000 2.366 285 A HA 0.663 4.983 4.320 -0.000 0.000 0.249 285 A C -2.513 175.070 177.584 -0.002 0.000 1.084 285 A CA -1.029 51.009 52.037 0.001 0.000 0.794 285 A CB -0.697 18.306 19.000 0.004 0.000 1.034 285 A HN 0.457 nan 8.150 nan 0.000 0.491 286 P HA 0.196 nan 4.420 nan 0.000 0.275 286 P C -0.534 176.765 177.300 -0.002 0.000 1.228 286 P CA -0.369 62.729 63.100 -0.004 0.000 0.786 286 P CB 0.545 32.242 31.700 -0.005 0.000 0.927 287 N N 0.761 119.460 118.700 -0.001 0.000 2.322 287 N HA 0.023 4.763 4.740 -0.000 0.000 0.270 287 N C 0.778 176.288 175.510 -0.001 0.000 1.286 287 N CA -0.163 52.887 53.050 -0.001 0.000 0.948 287 N CB -0.099 38.388 38.487 -0.001 0.000 1.164 287 N HN 0.228 nan 8.380 nan 0.000 0.551 288 E N -0.855 119.344 120.200 -0.001 0.000 2.070 288 E HA -0.249 4.101 4.350 -0.000 0.000 0.197 288 E C 1.728 178.328 176.600 -0.000 0.000 1.004 288 E CA 1.822 58.221 56.400 -0.001 0.000 0.805 288 E CB -0.284 29.416 29.700 -0.000 0.000 0.744 288 E HN 0.584 nan 8.360 nan 0.000 0.451 289 Q N 0.625 120.425 119.800 0.000 0.000 2.079 289 Q HA -0.115 4.225 4.340 -0.000 0.000 0.200 289 Q C 1.963 177.964 176.000 0.001 0.000 0.974 289 Q CA 1.509 57.312 55.803 0.000 0.000 0.840 289 Q CB -0.057 28.682 28.738 0.001 0.000 0.898 289 Q HN 0.386 nan 8.270 nan 0.000 0.430 290 E N 0.094 120.294 120.200 0.000 0.000 2.110 290 E HA -0.141 4.209 4.350 -0.000 0.000 0.193 290 E C 1.861 178.461 176.600 -0.000 0.000 0.988 290 E CA 0.758 57.158 56.400 0.000 0.000 0.804 290 E CB -0.146 29.553 29.700 -0.001 0.000 0.745 290 E HN 0.301 nan 8.360 nan 0.000 0.458 291 L N 0.758 121.981 121.223 -0.001 0.000 2.141 291 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 291 L C 2.376 179.246 176.870 0.000 0.000 1.094 291 L CA 0.855 55.694 54.840 -0.001 0.000 0.763 291 L CB -0.142 41.916 42.059 -0.002 0.000 0.908 291 L HN 0.087 nan 8.230 nan 0.000 0.437 292 E N 0.215 120.416 120.200 0.001 0.000 2.072 292 E HA -0.137 4.212 4.350 -0.000 0.000 0.190 292 E C 2.208 178.810 176.600 0.003 0.000 0.982 292 E CA 1.338 57.739 56.400 0.002 0.000 0.803 292 E CB -0.126 29.575 29.700 0.002 0.000 0.755 292 E HN 0.373 nan 8.360 nan 0.000 0.453 293 A N 0.318 123.139 122.820 0.002 0.000 1.930 293 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 293 A C 2.112 179.698 177.584 0.004 0.000 1.175 293 A CA 1.308 53.347 52.037 0.003 0.000 0.627 293 A CB -0.618 18.384 19.000 0.003 0.000 0.815 293 A HN 0.331 nan 8.150 nan 0.000 0.443 294 L N -0.095 121.130 121.223 0.003 0.000 2.046 294 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 294 L C 2.360 179.234 176.870 0.006 0.000 1.077 294 L CA 1.888 56.730 54.840 0.004 0.000 0.747 294 L CB -0.679 41.380 42.059 0.001 0.000 0.896 294 L HN 0.342 nan 8.230 nan 0.000 0.432 295 R N -0.334 120.169 120.500 0.005 0.000 2.091 295 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 295 R C 2.125 178.430 176.300 0.008 0.000 1.136 295 R CA 1.858 57.961 56.100 0.006 0.000 0.959 295 R CB -0.358 29.945 30.300 0.005 0.000 0.856 295 R HN 0.562 nan 8.270 nan 0.000 0.437 296 E N 0.379 120.583 120.200 0.007 0.000 2.038 296 E HA -0.201 4.148 4.350 -0.000 0.000 0.195 296 E C 1.646 178.251 176.600 0.009 0.000 1.000 296 E CA 1.355 57.759 56.400 0.007 0.000 0.803 296 E CB -0.094 29.610 29.700 0.006 0.000 0.750 296 E HN 0.309 nan 8.360 nan 0.000 0.448 297 D N 0.293 120.698 120.400 0.009 0.000 2.144 297 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 297 D C 1.964 178.271 176.300 0.013 0.000 0.984 297 D CA 1.129 55.135 54.000 0.010 0.000 0.834 297 D CB -0.118 40.688 40.800 0.010 0.000 0.955 297 D HN 0.196 nan 8.370 nan 0.000 0.465 298 M N 0.196 119.804 119.600 0.014 0.000 2.175 298 M HA -0.107 4.373 4.480 -0.000 0.000 0.264 298 M C 2.056 178.367 176.300 0.018 0.000 1.063 298 M CA 1.184 56.495 55.300 0.018 0.000 1.119 298 M CB 0.007 32.618 32.600 0.019 0.000 1.377 298 M HN -0.110 nan 8.290 nan 0.000 0.415 299 K N 0.247 120.656 120.400 0.015 0.000 2.103 299 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 299 K C 1.927 178.536 176.600 0.014 0.000 1.052 299 K CA 1.060 57.356 56.287 0.015 0.000 0.945 299 K CB -0.023 32.485 32.500 0.012 0.000 0.722 299 K HN 0.291 nan 8.250 nan 0.000 0.443 300 K N 0.527 120.935 120.400 0.013 0.000 2.097 300 K HA -0.061 4.259 4.320 -0.000 0.000 0.205 300 K C 1.982 178.590 176.600 0.013 0.000 1.050 300 K CA 1.166 57.460 56.287 0.012 0.000 0.938 300 K CB -0.052 32.454 32.500 0.010 0.000 0.718 300 K HN 0.084 nan 8.250 nan 0.000 0.442 301 A N 0.561 123.390 122.820 0.015 0.000 2.209 301 A HA 0.092 4.411 4.320 -0.000 0.000 0.212 301 A C 1.389 178.985 177.584 0.021 0.000 1.158 301 A CA 0.968 53.016 52.037 0.017 0.000 0.742 301 A CB -0.568 18.444 19.000 0.020 0.000 0.790 301 A HN 0.445 nan 8.150 nan 0.000 0.472 302 G N -1.410 107.402 108.800 0.020 0.000 2.160 302 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.251 302 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.251 302 G C 0.673 175.590 174.900 0.028 0.000 1.008 302 G CA 0.868 45.981 45.100 0.022 0.000 0.724 302 G HN 1.686 nan 8.290 nan 0.000 0.514 303 V N -3.364 116.569 119.914 0.031 0.000 3.176 303 V HA 0.837 4.956 4.120 -0.000 0.000 0.332 303 V C 0.266 176.383 176.094 0.039 0.000 1.414 303 V CA 0.289 62.613 62.300 0.040 0.000 1.133 303 V CB 0.370 32.221 31.823 0.048 0.000 1.088 303 V HN 0.885 nan 8.190 nan 0.000 0.473 304 L N 0.000 121.241 121.223 0.030 0.000 2.949 304 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 304 L CA 0.000 54.855 54.840 0.025 0.000 0.813 304 L CB 0.000 42.071 42.059 0.020 0.000 0.961 304 L HN 0.000 nan 8.230 nan 0.000 0.502