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 1h7u_1_B DATA FIRST_RESID 32 DATA SEQUENCE VLSLSTAVKE LVENSLDAGA TNIDLKLKDY GVDLIEVSDN GCGVEEENFE DATA SEQUENCE GLTLXXXXXX XXXXXXXXXX XXXXXXXEAL SSLCALSDVT ISTCHASAKV DATA SEQUENCE GTRLMFDHNG KIIQKTPYPR PRGTTVSVQQ LFSTLPVRHK EFQRNIKKEY DATA SEQUENCE AKMVQVLHAY CIISAGIRVS CTNQLGQGKR QPVVCTGGSP SIKENIGSVF DATA SEQUENCE GQKQLQSLIP FVQLPPSDSV CEEYGLSCSD ALHNLFYISG FISQCTHGVG DATA SEQUENCE RSSTDRQFFF INRRPCDPAK VCRLVNEVYH MYNRHQYPFV VLNISVDSEC DATA SEQUENCE VDXXXXXXXX XILLQEEKLL LAVLKTSLIG MFD 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 32 V HA 0.000 nan 4.120 nan 0.000 0.244 32 V C 0.000 176.211 176.094 0.194 0.000 1.182 32 V CA 0.000 62.355 62.300 0.092 0.000 1.235 32 V CB 0.000 31.858 31.823 0.059 0.000 1.184 33 L N 2.096 123.407 121.223 0.146 0.000 2.500 33 L HA 0.480 4.820 4.340 -0.000 0.000 0.219 33 L C 0.862 177.841 176.870 0.182 0.000 1.057 33 L CA 0.749 55.654 54.840 0.107 0.000 0.854 33 L CB 0.539 42.617 42.059 0.032 0.000 1.078 33 L HN 0.770 nan 8.230 nan 0.000 0.480 34 S N -1.601 114.210 115.700 0.185 0.000 2.588 34 S HA 0.302 4.772 4.470 -0.000 0.000 0.269 34 S C 0.083 174.681 174.600 -0.004 0.000 1.157 34 S CA -0.708 57.564 58.200 0.121 0.000 0.824 34 S CB 1.883 65.122 63.200 0.065 0.000 1.126 34 S HN -0.021 nan 8.310 nan 0.000 0.464 35 L N 2.230 123.409 121.223 -0.073 0.000 2.021 35 L HA -0.120 4.220 4.340 -0.000 0.000 0.215 35 L C 2.542 179.430 176.870 0.029 0.000 1.074 35 L CA 3.118 57.932 54.840 -0.043 0.000 0.760 35 L CB -1.269 40.916 42.059 0.211 0.000 0.889 35 L HN 1.012 nan 8.230 nan 0.000 0.433 36 S N -1.645 114.089 115.700 0.057 0.000 2.356 36 S HA -0.230 4.240 4.470 -0.000 0.000 0.223 36 S C 2.003 176.633 174.600 0.051 0.000 1.032 36 S CA 1.724 59.956 58.200 0.054 0.000 1.005 36 S CB -1.741 61.486 63.200 0.046 0.000 0.867 36 S HN 0.706 nan 8.310 nan 0.000 0.449 37 T N 0.463 115.041 114.554 0.039 0.000 2.821 37 T HA 0.200 4.550 4.350 -0.000 0.000 0.267 37 T C 2.029 176.741 174.700 0.021 0.000 1.046 37 T CA 1.069 63.193 62.100 0.040 0.000 1.139 37 T CB -0.905 67.984 68.868 0.036 0.000 0.871 37 T HN 0.575 nan 8.240 nan 0.000 0.454 38 A N 1.198 124.011 122.820 -0.011 0.000 1.902 38 A HA 0.045 4.365 4.320 -0.000 0.000 0.217 38 A C 2.639 180.206 177.584 -0.029 0.000 1.181 38 A CA 1.641 53.649 52.037 -0.048 0.000 0.623 38 A CB -1.166 17.761 19.000 -0.123 0.000 0.818 38 A HN 0.401 nan 8.150 nan 0.000 0.443 39 V N 0.129 120.041 119.914 -0.003 0.000 2.307 39 V HA -0.265 3.855 4.120 -0.000 0.000 0.245 39 V C 2.549 178.647 176.094 0.006 0.000 1.045 39 V CA 2.436 64.741 62.300 0.008 0.000 1.024 39 V CB -0.639 31.209 31.823 0.042 0.000 0.651 39 V HN 0.735 nan 8.190 nan 0.000 0.449 40 K N -0.004 120.433 120.400 0.062 0.000 2.044 40 K HA -0.242 4.077 4.320 -0.000 0.000 0.210 40 K C 2.132 178.750 176.600 0.030 0.000 1.049 40 K CA 1.917 58.276 56.287 0.120 0.000 0.927 40 K CB -0.157 32.450 32.500 0.179 0.000 0.713 40 K HN 0.434 nan 8.250 nan 0.000 0.443 41 E N 0.783 120.992 120.200 0.015 0.000 2.051 41 E HA -0.198 4.151 4.350 -0.000 0.000 0.192 41 E C 2.207 178.781 176.600 -0.044 0.000 0.991 41 E CA 1.273 57.668 56.400 -0.008 0.000 0.799 41 E CB -0.311 29.381 29.700 -0.014 0.000 0.748 41 E HN 0.400 nan 8.360 nan 0.000 0.449 42 L N 0.644 121.833 121.223 -0.057 0.000 2.017 42 L HA -0.167 4.173 4.340 -0.000 0.000 0.208 42 L C 2.640 179.450 176.870 -0.101 0.000 1.073 42 L CA 0.828 55.626 54.840 -0.071 0.000 0.745 42 L CB -0.583 41.438 42.059 -0.063 0.000 0.894 42 L HN -0.010 nan 8.230 nan 0.000 0.432 43 V N -0.152 119.669 119.914 -0.155 0.000 2.295 43 V HA -0.306 3.814 4.120 -0.000 0.000 0.246 43 V C 2.411 178.345 176.094 -0.268 0.000 1.049 43 V CA 1.963 64.102 62.300 -0.268 0.000 1.024 43 V CB -0.427 31.086 31.823 -0.518 0.000 0.648 43 V HN 0.424 nan 8.190 nan 0.000 0.447 44 E N 0.027 120.094 120.200 -0.222 0.000 2.110 44 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 44 E C 2.203 178.768 176.600 -0.059 0.000 0.988 44 E CA 1.125 57.461 56.400 -0.107 0.000 0.804 44 E CB -0.120 29.580 29.700 -0.001 0.000 0.745 44 E HN 0.543 nan 8.360 nan 0.000 0.458 45 N N -0.118 118.547 118.700 -0.057 0.000 2.043 45 N HA -0.146 4.593 4.740 -0.000 0.000 0.193 45 N C 1.927 177.416 175.510 -0.034 0.000 1.037 45 N CA 1.511 54.538 53.050 -0.038 0.000 0.851 45 N CB -0.389 38.071 38.487 -0.044 0.000 1.027 45 N HN 0.036 nan 8.380 nan 0.000 0.422 46 S N 1.316 116.986 115.700 -0.051 0.000 2.370 46 S HA -0.042 4.428 4.470 -0.000 0.000 0.226 46 S C 2.186 176.767 174.600 -0.031 0.000 1.033 46 S CA 0.745 58.922 58.200 -0.040 0.000 1.011 46 S CB -0.269 62.898 63.200 -0.054 0.000 0.852 46 S HN 0.257 nan 8.310 nan 0.000 0.457 47 L N 1.203 122.397 121.223 -0.049 0.000 2.083 47 L HA -0.141 4.199 4.340 -0.000 0.000 0.209 47 L C 1.999 178.868 176.870 -0.001 0.000 1.083 47 L CA 1.034 55.858 54.840 -0.026 0.000 0.752 47 L CB -0.552 41.487 42.059 -0.034 0.000 0.899 47 L HN 0.195 nan 8.230 nan 0.000 0.433 48 D N 0.147 120.547 120.400 -0.000 0.000 2.219 48 D HA -0.086 4.554 4.640 -0.000 0.000 0.205 48 D C 2.035 178.345 176.300 0.016 0.000 0.970 48 D CA 1.217 55.224 54.000 0.012 0.000 0.851 48 D CB 0.125 40.932 40.800 0.012 0.000 0.943 48 D HN 0.293 nan 8.370 nan 0.000 0.488 49 A N -0.157 122.671 122.820 0.013 0.000 2.235 49 A HA 0.368 4.688 4.320 -0.000 0.000 0.208 49 A C 1.684 179.284 177.584 0.027 0.000 1.172 49 A CA 0.978 53.030 52.037 0.025 0.000 0.786 49 A CB -0.281 18.733 19.000 0.024 0.000 0.804 49 A HN 0.224 nan 8.150 nan 0.000 0.479 50 G N -1.690 107.120 108.800 0.018 0.000 2.147 50 G HA2 0.092 4.052 3.960 -0.000 0.000 0.244 50 G HA3 0.092 4.052 3.960 -0.000 0.000 0.244 50 G C 0.370 175.277 174.900 0.011 0.000 1.005 50 G CA 0.311 45.420 45.100 0.015 0.000 0.713 50 G HN 1.580 nan 8.290 nan 0.000 0.515 51 A N -0.069 122.755 122.820 0.006 0.000 2.462 51 A HA 0.693 5.013 4.320 -0.000 0.000 0.243 51 A C 1.456 179.041 177.584 0.000 0.000 1.076 51 A CA 1.389 53.427 52.037 0.003 0.000 0.773 51 A CB 0.375 19.372 19.000 -0.005 0.000 1.010 51 A HN 1.602 nan 8.150 nan 0.000 0.493 52 T N -1.369 113.185 114.554 0.001 0.000 3.040 52 T HA 0.261 4.611 4.350 -0.000 0.000 0.266 52 T C 0.048 174.748 174.700 -0.001 0.000 1.005 52 T CA 0.062 62.162 62.100 0.000 0.000 0.906 52 T CB -0.303 68.565 68.868 0.000 0.000 1.082 52 T HN 0.522 nan 8.240 nan 0.000 0.531 53 N N 0.700 119.399 118.700 -0.001 0.000 2.519 53 N HA 0.551 5.291 4.740 -0.000 0.000 0.286 53 N C -1.788 173.720 175.510 -0.003 0.000 1.079 53 N CA -0.552 52.498 53.050 -0.000 0.000 0.878 53 N CB 1.277 39.765 38.487 0.003 0.000 1.375 53 N HN 0.297 nan 8.380 nan 0.000 0.514 54 I N 1.947 122.513 120.570 -0.007 0.000 2.439 54 I HA 0.339 4.509 4.170 -0.000 0.000 0.283 54 I C -0.977 175.136 176.117 -0.006 0.000 1.023 54 I CA -0.762 60.530 61.300 -0.014 0.000 1.100 54 I CB 1.677 39.657 38.000 -0.033 0.000 1.238 54 I HN 0.266 nan 8.210 nan 0.000 0.445 55 D N 6.963 127.362 120.400 -0.001 0.000 2.344 55 D HA 0.326 4.966 4.640 -0.000 0.000 0.239 55 D C -0.697 175.608 176.300 0.009 0.000 1.064 55 D CA -0.395 53.609 54.000 0.007 0.000 0.829 55 D CB 3.057 43.863 40.800 0.011 0.000 1.129 55 D HN 0.209 nan 8.370 nan 0.000 0.506 56 L N 2.651 123.885 121.223 0.019 0.000 2.272 56 L HA 0.261 4.601 4.340 -0.000 0.000 0.284 56 L C -0.139 176.753 176.870 0.038 0.000 1.045 56 L CA -0.331 54.525 54.840 0.026 0.000 0.842 56 L CB 0.502 42.584 42.059 0.037 0.000 1.224 56 L HN 0.137 nan 8.230 nan 0.000 0.430 57 K N 5.793 126.211 120.400 0.029 0.000 2.211 57 K HA 0.550 4.870 4.320 -0.000 0.000 0.275 57 K C -1.427 175.192 176.600 0.032 0.000 1.024 57 K CA -0.520 55.783 56.287 0.027 0.000 0.887 57 K CB 0.693 33.203 32.500 0.016 0.000 1.084 57 K HN 0.685 nan 8.250 nan 0.000 0.463 58 L N 3.634 124.875 121.223 0.030 0.000 2.341 58 L HA 0.524 4.864 4.340 -0.000 0.000 0.267 58 L C -0.462 176.387 176.870 -0.034 0.000 1.009 58 L CA -0.978 53.877 54.840 0.026 0.000 0.819 58 L CB 2.090 44.192 42.059 0.071 0.000 1.323 58 L HN 0.519 nan 8.230 nan 0.000 0.425 59 K N 1.964 122.339 120.400 -0.042 0.000 2.579 59 K HA 0.271 4.590 4.320 -0.000 0.000 0.250 59 K C -1.452 175.082 176.600 -0.110 0.000 0.952 59 K CA -0.642 55.597 56.287 -0.081 0.000 0.857 59 K CB 1.347 33.824 32.500 -0.038 0.000 1.123 59 K HN 0.548 nan 8.250 nan 0.000 0.433 60 D N 2.402 122.664 120.400 -0.231 0.000 2.739 60 D HA -0.182 4.457 4.640 -0.000 0.000 0.240 60 D C -0.711 175.478 176.300 -0.185 0.000 1.114 60 D CA 0.944 54.791 54.000 -0.255 0.000 0.695 60 D CB -1.248 39.481 40.800 -0.118 0.000 1.078 60 D HN 0.756 nan 8.370 nan 0.000 0.434 61 Y N -1.906 118.277 120.300 -0.194 0.000 4.409 61 Y HA -0.218 4.332 4.550 -0.000 0.000 0.228 61 Y C 1.787 177.695 175.900 0.013 0.000 1.108 61 Y CA 1.894 59.852 58.100 -0.237 0.000 1.955 61 Y CB -1.722 36.462 38.460 -0.461 0.000 1.615 61 Y HN 0.614 nan 8.280 nan 0.000 0.665 62 G N -2.326 106.548 108.800 0.123 0.000 2.194 62 G HA2 -0.309 3.650 3.960 -0.000 0.000 0.236 62 G HA3 -0.309 3.650 3.960 -0.000 0.000 0.236 62 G C 0.808 175.856 174.900 0.247 0.000 0.987 62 G CA 0.139 45.367 45.100 0.213 0.000 0.635 62 G HN 0.537 nan 8.290 nan 0.000 0.520 63 V N 0.665 120.593 119.914 0.024 0.000 2.626 63 V HA -0.016 4.104 4.120 -0.000 0.000 0.252 63 V C 2.211 178.370 176.094 0.107 0.000 1.067 63 V CA 2.854 65.106 62.300 -0.079 0.000 1.081 63 V CB 0.061 31.657 31.823 -0.379 0.000 0.686 63 V HN 0.554 nan 8.190 nan 0.000 0.468 64 D N -1.743 118.697 120.400 0.066 0.000 2.463 64 D HA 0.117 4.757 4.640 -0.000 0.000 0.237 64 D C 0.171 176.512 176.300 0.068 0.000 1.013 64 D CA 0.214 54.258 54.000 0.073 0.000 0.910 64 D CB 0.647 41.464 40.800 0.028 0.000 1.080 64 D HN 0.260 nan 8.370 nan 0.000 0.498 65 L N 0.687 121.944 121.223 0.057 0.000 2.513 65 L HA 0.518 4.858 4.340 -0.000 0.000 0.261 65 L C -1.855 175.046 176.870 0.052 0.000 0.945 65 L CA -0.553 54.313 54.840 0.044 0.000 0.848 65 L CB 2.053 44.125 42.059 0.021 0.000 1.334 65 L HN -0.071 nan 8.230 nan 0.000 0.407 66 I N 4.120 124.713 120.570 0.038 0.000 2.476 66 I HA 0.450 4.620 4.170 -0.000 0.000 0.281 66 I C -0.877 175.245 176.117 0.009 0.000 1.040 66 I CA -0.327 60.994 61.300 0.035 0.000 1.094 66 I CB 1.780 39.793 38.000 0.021 0.000 1.219 66 I HN 0.605 nan 8.210 nan 0.000 0.450 67 E N 6.297 126.504 120.200 0.012 0.000 2.218 67 E HA 0.529 4.879 4.350 -0.000 0.000 0.263 67 E C -1.696 174.903 176.600 -0.001 0.000 0.879 67 E CA -0.597 55.803 56.400 -0.000 0.000 0.762 67 E CB 2.299 32.000 29.700 0.003 0.000 1.166 67 E HN 0.312 nan 8.360 nan 0.000 0.415 68 V N 3.469 123.375 119.914 -0.014 0.000 2.370 68 V HA 0.327 4.447 4.120 -0.000 0.000 0.283 68 V C -0.140 175.945 176.094 -0.015 0.000 1.023 68 V CA -0.537 61.752 62.300 -0.017 0.000 0.857 68 V CB 1.420 33.223 31.823 -0.033 0.000 0.985 68 V HN 0.597 nan 8.190 nan 0.000 0.443 69 S N 3.827 119.523 115.700 -0.006 0.000 2.449 69 S HA 0.697 5.167 4.470 -0.000 0.000 0.310 69 S C -0.814 173.786 174.600 0.001 0.000 1.096 69 S CA -0.681 57.520 58.200 0.002 0.000 1.095 69 S CB 1.035 64.243 63.200 0.013 0.000 1.007 69 S HN 1.002 nan 8.310 nan 0.000 0.474 70 D N 1.897 122.299 120.400 0.004 0.000 2.566 70 D HA 0.413 5.053 4.640 -0.000 0.000 0.254 70 D C -0.010 176.299 176.300 0.016 0.000 1.090 70 D CA -0.784 53.219 54.000 0.004 0.000 1.034 70 D CB 0.577 41.373 40.800 -0.006 0.000 1.434 70 D HN 0.360 nan 8.370 nan 0.000 0.509 71 N N -0.613 118.096 118.700 0.015 0.000 2.234 71 N HA 0.207 4.947 4.740 -0.000 0.000 0.227 71 N C 0.720 176.244 175.510 0.024 0.000 1.151 71 N CA -0.364 52.698 53.050 0.021 0.000 0.865 71 N CB 0.345 38.841 38.487 0.015 0.000 1.066 71 N HN 0.513 nan 8.380 nan 0.000 0.515 72 G N 0.631 109.446 108.800 0.026 0.000 2.466 72 G HA2 -0.052 3.908 3.960 -0.000 0.000 0.279 72 G HA3 -0.052 3.908 3.960 -0.000 0.000 0.279 72 G C 1.409 176.343 174.900 0.055 0.000 1.410 72 G CA 0.253 45.372 45.100 0.032 0.000 1.065 72 G HN 0.510 nan 8.290 nan 0.000 0.547 73 C N -1.151 118.194 119.300 0.075 0.000 2.419 73 C HA 0.439 4.899 4.460 -0.000 0.000 0.283 73 C C 1.711 176.845 174.990 0.240 0.000 1.373 73 C CA 0.105 59.202 59.018 0.132 0.000 1.781 73 C CB -1.845 25.989 27.740 0.156 0.000 1.886 73 C HN 2.170 nan 8.230 nan 0.000 0.520 74 G N -0.220 108.676 108.800 0.160 0.000 2.796 74 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.226 74 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.226 74 G C -0.740 174.239 174.900 0.131 0.000 1.381 74 G CA -0.241 44.955 45.100 0.160 0.000 0.867 74 G HN 1.103 nan 8.290 nan 0.000 0.552 75 V N 0.499 120.476 119.914 0.105 0.000 2.513 75 V HA 0.578 4.698 4.120 -0.000 0.000 0.299 75 V C 0.528 176.673 176.094 0.086 0.000 1.035 75 V CA -0.341 62.005 62.300 0.077 0.000 0.889 75 V CB 1.656 33.556 31.823 0.129 0.000 0.988 75 V HN 0.868 nan 8.190 nan 0.000 0.440 76 E N 2.059 122.178 120.200 -0.135 0.000 2.283 76 E HA 0.189 4.539 4.350 -0.000 0.000 0.278 76 E C 0.984 177.469 176.600 -0.192 0.000 1.027 76 E CA -0.152 56.109 56.400 -0.232 0.000 0.843 76 E CB 1.181 30.644 29.700 -0.395 0.000 1.062 76 E HN 0.773 nan 8.360 nan 0.000 0.401 77 E N 3.131 123.008 120.200 -0.538 0.000 2.113 77 E HA -0.370 3.980 4.350 -0.000 0.000 0.210 77 E C 1.057 177.255 176.600 -0.671 0.000 1.040 77 E CA 2.421 58.065 56.400 -1.260 0.000 0.847 77 E CB 0.130 29.339 29.700 -0.818 0.000 0.755 77 E HN 0.666 nan 8.360 nan 0.000 0.459 78 E N -0.023 119.988 120.200 -0.316 0.000 2.114 78 E HA -0.225 4.125 4.350 -0.000 0.000 0.199 78 E C 1.385 177.950 176.600 -0.059 0.000 1.008 78 E CA 1.350 57.658 56.400 -0.153 0.000 0.810 78 E CB -0.300 29.341 29.700 -0.097 0.000 0.739 78 E HN 0.380 nan 8.360 nan 0.000 0.456 79 N N 0.102 118.795 118.700 -0.011 0.000 2.314 79 N HA 0.010 4.750 4.740 -0.000 0.000 0.200 79 N C 0.751 176.403 175.510 0.236 0.000 1.135 79 N CA 0.169 53.269 53.050 0.084 0.000 0.835 79 N CB 0.087 38.608 38.487 0.056 0.000 0.989 79 N HN 0.073 nan 8.380 nan 0.000 0.478 80 F N 1.993 121.948 119.950 0.009 0.000 2.161 80 F HA -0.093 4.434 4.527 0.000 0.000 0.300 80 F C 2.153 178.006 175.800 0.089 0.000 1.089 80 F CA 0.758 58.783 58.000 0.042 0.000 1.282 80 F CB -0.285 38.722 39.000 0.012 0.000 1.010 80 F HN 0.154 nan 8.300 nan 0.000 0.485 81 E N -1.011 119.347 120.200 0.263 0.000 2.299 81 E HA -0.025 4.324 4.350 -0.000 0.000 0.193 81 E C 2.477 179.162 176.600 0.142 0.000 0.998 81 E CA 0.578 57.088 56.400 0.184 0.000 0.851 81 E CB -0.375 29.397 29.700 0.120 0.000 0.795 81 E HN 0.401 nan 8.360 nan 0.000 0.492 82 G N 1.246 110.117 108.800 0.119 0.000 2.448 82 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 82 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 82 G C 1.540 176.477 174.900 0.061 0.000 1.135 82 G CA 0.059 45.204 45.100 0.075 0.000 0.784 82 G HN 0.070 nan 8.290 nan 0.000 0.543 83 L N 0.390 121.663 121.223 0.084 0.000 1.965 83 L HA -0.175 4.165 4.340 -0.000 0.000 0.226 83 L C 2.898 179.736 176.870 -0.052 0.000 1.083 83 L CA 2.049 56.902 54.840 0.022 0.000 0.790 83 L CB -0.646 41.441 42.059 0.047 0.000 0.898 83 L HN 0.390 nan 8.230 nan 0.000 0.439 84 T N -1.539 112.984 114.554 -0.052 0.000 3.188 84 T HA 0.240 4.590 4.350 -0.000 0.000 0.250 84 T C -0.051 174.641 174.700 -0.013 0.000 1.077 84 T CA -0.180 61.852 62.100 -0.115 0.000 0.967 84 T CB -0.077 68.655 68.868 -0.226 0.000 1.006 84 T HN 0.008 nan 8.240 nan 0.000 0.552 110 A N 3.725 126.530 122.820 -0.024 0.000 1.885 110 A HA -0.244 4.075 4.320 -0.000 0.000 0.215 110 A C 1.770 179.317 177.584 -0.062 0.000 1.255 110 A CA 1.898 53.914 52.037 -0.036 0.000 0.692 110 A CB -0.903 18.075 19.000 -0.036 0.000 0.842 110 A HN 0.688 nan 8.150 nan 0.000 0.465 111 L N 0.280 121.450 121.223 -0.088 0.000 2.103 111 L HA -0.281 4.059 4.340 -0.000 0.000 0.215 111 L C 2.961 179.742 176.870 -0.147 0.000 1.080 111 L CA 2.028 56.782 54.840 -0.144 0.000 0.764 111 L CB -0.736 41.211 42.059 -0.186 0.000 0.890 111 L HN 0.761 nan 8.230 nan 0.000 0.435 112 S N -2.069 113.574 115.700 -0.096 0.000 2.414 112 S HA -0.098 4.372 4.470 -0.000 0.000 0.227 112 S C 2.037 176.615 174.600 -0.037 0.000 1.022 112 S CA 1.015 59.176 58.200 -0.065 0.000 0.958 112 S CB -0.035 63.147 63.200 -0.031 0.000 0.797 112 S HN 0.291 nan 8.310 nan 0.000 0.493 113 S N 1.823 117.504 115.700 -0.033 0.000 2.383 113 S HA 0.173 4.643 4.470 -0.000 0.000 0.227 113 S C 1.733 176.323 174.600 -0.017 0.000 1.026 113 S CA 1.075 59.268 58.200 -0.012 0.000 0.981 113 S CB -0.486 62.711 63.200 -0.006 0.000 0.818 113 S HN 0.448 nan 8.310 nan 0.000 0.472 114 L N 0.465 121.657 121.223 -0.051 0.000 2.044 114 L HA -0.118 4.221 4.340 -0.000 0.000 0.205 114 L C 2.509 179.360 176.870 -0.032 0.000 1.075 114 L CA 0.847 55.647 54.840 -0.066 0.000 0.747 114 L CB -0.585 41.411 42.059 -0.104 0.000 0.903 114 L HN 0.376 nan 8.230 nan 0.000 0.435 115 C N -0.215 119.058 119.300 -0.045 0.000 2.411 115 C HA -0.192 4.268 4.460 -0.000 0.000 0.279 115 C C 3.065 178.152 174.990 0.162 0.000 1.288 115 C CA 0.790 59.824 59.018 0.027 0.000 1.764 115 C CB -1.151 26.571 27.740 -0.030 0.000 1.974 115 C HN 0.613 nan 8.230 nan 0.000 0.498 116 A N -0.210 122.661 122.820 0.084 0.000 1.968 116 A HA 0.038 4.358 4.320 -0.000 0.000 0.217 116 A C 1.900 179.477 177.584 -0.011 0.000 1.169 116 A CA 1.183 53.261 52.037 0.069 0.000 0.638 116 A CB -0.351 18.671 19.000 0.036 0.000 0.812 116 A HN 0.642 nan 8.150 nan 0.000 0.446 117 L N -0.344 120.886 121.223 0.012 0.000 2.607 117 L HA 0.186 4.526 4.340 -0.000 0.000 0.228 117 L C 0.620 177.485 176.870 -0.009 0.000 1.123 117 L CA 0.458 55.301 54.840 0.005 0.000 0.890 117 L CB -0.094 42.004 42.059 0.064 0.000 1.103 117 L HN 0.525 nan 8.230 nan 0.000 0.468 118 S N -2.936 112.800 115.700 0.059 0.000 2.643 118 S HA 0.256 4.726 4.470 -0.000 0.000 0.266 118 S C -1.733 173.009 174.600 0.237 0.000 1.130 118 S CA -1.103 57.168 58.200 0.119 0.000 0.817 118 S CB 1.424 64.635 63.200 0.018 0.000 1.107 118 S HN -0.046 nan 8.310 nan 0.000 0.471 119 D N 1.308 121.815 120.400 0.178 0.000 2.316 119 D HA 0.459 5.099 4.640 -0.000 0.000 0.245 119 D C -0.514 175.815 176.300 0.048 0.000 1.171 119 D CA 0.028 54.084 54.000 0.093 0.000 0.856 119 D CB 1.481 42.319 40.800 0.063 0.000 1.090 119 D HN 0.405 nan 8.370 nan 0.000 0.476 120 V N 2.873 122.813 119.914 0.043 0.000 2.398 120 V HA 0.320 4.440 4.120 -0.000 0.000 0.286 120 V C 0.428 176.589 176.094 0.112 0.000 1.026 120 V CA -0.381 61.932 62.300 0.020 0.000 0.868 120 V CB 1.897 33.662 31.823 -0.097 0.000 0.982 120 V HN 0.468 nan 8.190 nan 0.000 0.443 121 T N 6.434 121.021 114.554 0.055 0.000 2.807 121 T HA 0.698 5.047 4.350 -0.000 0.000 0.279 121 T C -0.455 174.258 174.700 0.021 0.000 0.993 121 T CA -0.209 61.923 62.100 0.053 0.000 0.970 121 T CB 1.152 70.005 68.868 -0.025 0.000 0.950 121 T HN 0.386 nan 8.240 nan 0.000 0.441 122 I N 2.867 123.468 120.570 0.051 0.000 2.498 122 I HA 0.483 4.653 4.170 -0.000 0.000 0.290 122 I C 0.019 176.059 176.117 -0.129 0.000 1.032 122 I CA -0.823 60.467 61.300 -0.018 0.000 1.073 122 I CB 2.160 40.190 38.000 0.049 0.000 1.251 122 I HN 0.663 nan 8.210 nan 0.000 0.426 123 S N 3.241 118.854 115.700 -0.145 0.000 2.500 123 S HA 0.817 5.287 4.470 -0.000 0.000 0.301 123 S C -0.612 173.950 174.600 -0.064 0.000 1.092 123 S CA -0.589 57.504 58.200 -0.179 0.000 1.030 123 S CB 2.304 65.352 63.200 -0.253 0.000 1.031 123 S HN 0.681 nan 8.310 nan 0.000 0.483 124 T N 0.359 114.901 114.554 -0.021 0.000 2.853 124 T HA 0.624 4.973 4.350 -0.000 0.000 0.311 124 T C -1.948 172.829 174.700 0.130 0.000 1.307 124 T CA -0.469 61.658 62.100 0.045 0.000 1.019 124 T CB 1.513 70.384 68.868 0.004 0.000 1.264 124 T HN 1.191 nan 8.240 nan 0.000 0.497 125 C N 3.432 122.822 119.300 0.151 0.000 2.832 125 C HA 0.644 5.103 4.460 -0.000 0.000 0.383 125 C C -0.469 174.646 174.990 0.208 0.000 1.046 125 C CA -0.556 58.569 59.018 0.177 0.000 1.242 125 C CB -0.122 27.701 27.740 0.139 0.000 1.693 125 C HN 1.108 nan 8.230 nan 0.000 0.497 126 H N 2.533 121.660 119.070 0.095 0.000 2.548 126 H HA 0.550 5.106 4.556 -0.000 0.000 0.366 126 H C 1.034 176.391 175.328 0.048 0.000 1.433 126 H CA 0.874 56.964 56.048 0.069 0.000 1.443 126 H CB 1.489 31.289 29.762 0.064 0.000 1.594 126 H HN 0.766 nan 8.280 nan 0.000 0.608 127 A N 0.395 123.010 122.820 -0.342 0.000 1.872 127 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 127 A C 2.391 179.887 177.584 -0.146 0.000 1.187 127 A CA 1.633 53.533 52.037 -0.229 0.000 0.614 127 A CB -1.131 17.691 19.000 -0.298 0.000 0.826 127 A HN 0.728 nan 8.150 nan 0.000 0.442 128 S N 0.042 115.625 115.700 -0.195 0.000 2.465 128 S HA 0.256 4.726 4.470 -0.000 0.000 0.241 128 S C 0.948 175.578 174.600 0.050 0.000 1.000 128 S CA 0.614 58.806 58.200 -0.013 0.000 0.964 128 S CB -0.706 62.549 63.200 0.091 0.000 0.763 128 S HN 0.959 nan 8.310 nan 0.000 0.512 129 A N 1.187 124.061 122.820 0.091 0.000 2.310 129 A HA 0.598 4.918 4.320 -0.000 0.000 0.299 129 A C 0.897 178.518 177.584 0.060 0.000 1.147 129 A CA -0.816 51.274 52.037 0.088 0.000 0.818 129 A CB 0.758 19.838 19.000 0.133 0.000 1.096 129 A HN 0.397 nan 8.150 nan 0.000 0.495 130 K N 0.688 121.116 120.400 0.047 0.000 2.137 130 K HA 0.160 4.480 4.320 -0.000 0.000 0.202 130 K C -0.258 176.367 176.600 0.042 0.000 1.052 130 K CA 0.919 57.227 56.287 0.034 0.000 0.961 130 K CB 0.051 32.565 32.500 0.024 0.000 0.741 130 K HN 0.425 nan 8.250 nan 0.000 0.452 131 V N 0.881 120.831 119.914 0.059 0.000 2.709 131 V HA 0.353 4.473 4.120 -0.000 0.000 0.308 131 V C 0.245 176.408 176.094 0.115 0.000 1.062 131 V CA -1.202 61.140 62.300 0.070 0.000 0.901 131 V CB 1.675 33.532 31.823 0.057 0.000 1.003 131 V HN 0.323 nan 8.190 nan 0.000 0.425 132 G N 2.478 111.359 108.800 0.135 0.000 2.684 132 G HA2 0.523 4.483 3.960 -0.000 0.000 0.255 132 G HA3 0.523 4.483 3.960 -0.000 0.000 0.255 132 G C -0.229 174.804 174.900 0.222 0.000 1.219 132 G CA 0.019 45.233 45.100 0.190 0.000 0.901 132 G HN 0.674 nan 8.290 nan 0.000 0.548 133 T N -0.755 113.926 114.554 0.212 0.000 2.907 133 T HA 0.604 4.954 4.350 -0.000 0.000 0.292 133 T C -0.345 174.344 174.700 -0.019 0.000 1.043 133 T CA -0.633 61.564 62.100 0.162 0.000 1.003 133 T CB 2.110 71.157 68.868 0.298 0.000 1.084 133 T HN 0.579 nan 8.240 nan 0.000 0.483 134 R N 1.730 122.174 120.500 -0.094 0.000 2.480 134 R HA 0.688 5.027 4.340 -0.000 0.000 0.306 134 R C -1.611 174.546 176.300 -0.237 0.000 0.958 134 R CA -0.675 55.264 56.100 -0.269 0.000 0.861 134 R CB 0.646 30.702 30.300 -0.406 0.000 1.171 134 R HN 0.563 nan 8.270 nan 0.000 0.445 135 L N 5.148 126.206 121.223 -0.276 0.000 2.362 135 L HA 0.550 4.890 4.340 -0.000 0.000 0.275 135 L C -0.361 176.322 176.870 -0.312 0.000 0.998 135 L CA -0.823 53.792 54.840 -0.375 0.000 0.820 135 L CB 2.148 43.882 42.059 -0.542 0.000 1.270 135 L HN 0.513 nan 8.230 nan 0.000 0.415 136 M N 3.103 122.482 119.600 -0.369 0.000 2.227 136 M HA 0.513 4.993 4.480 -0.000 0.000 0.335 136 M C -1.311 174.794 176.300 -0.325 0.000 1.053 136 M CA -0.280 54.900 55.300 -0.199 0.000 0.973 136 M CB 1.755 34.273 32.600 -0.137 0.000 1.623 136 M HN 0.282 nan 8.290 nan 0.000 0.434 137 F N 1.052 120.940 119.950 -0.103 0.000 2.480 137 F HA 0.365 4.892 4.527 -0.000 0.000 0.329 137 F C 0.494 176.209 175.800 -0.141 0.000 1.091 137 F CA -0.934 57.007 58.000 -0.098 0.000 0.972 137 F CB 1.074 40.026 39.000 -0.079 0.000 1.150 137 F HN 0.552 nan 8.300 nan 0.000 0.467 138 D N -0.421 120.002 120.400 0.037 0.000 2.451 138 D HA 0.089 4.729 4.640 -0.000 0.000 0.259 138 D C 0.779 177.022 176.300 -0.096 0.000 1.201 138 D CA -0.234 53.690 54.000 -0.126 0.000 1.028 138 D CB 0.291 41.045 40.800 -0.076 0.000 1.095 138 D HN 0.475 nan 8.370 nan 0.000 0.539 139 H N -1.009 118.094 119.070 0.056 0.000 2.561 139 H HA 0.023 4.579 4.556 -0.000 0.000 0.278 139 H C 0.463 175.814 175.328 0.038 0.000 1.014 139 H CA 0.696 56.769 56.048 0.041 0.000 1.211 139 H CB -0.458 29.322 29.762 0.030 0.000 1.365 139 H HN 0.509 nan 8.280 nan 0.000 0.594 140 N N -0.518 118.259 118.700 0.128 0.000 2.353 140 N HA 0.082 4.822 4.740 -0.000 0.000 0.185 140 N C 1.088 176.652 175.510 0.090 0.000 1.098 140 N CA 0.439 53.546 53.050 0.094 0.000 0.872 140 N CB 0.854 39.385 38.487 0.073 0.000 0.970 140 N HN 0.345 nan 8.380 nan 0.000 0.467 141 G N 0.998 109.869 108.800 0.119 0.000 2.141 141 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.231 141 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.231 141 G C -0.219 174.853 174.900 0.287 0.000 0.984 141 G CA -0.288 44.906 45.100 0.157 0.000 0.660 141 G HN 0.202 nan 8.290 nan 0.000 0.525 142 K N 0.169 120.683 120.400 0.189 0.000 2.172 142 K HA 0.531 4.851 4.320 -0.000 0.000 0.276 142 K C 0.691 177.300 176.600 0.014 0.000 1.013 142 K CA -0.799 55.554 56.287 0.109 0.000 0.913 142 K CB 1.388 33.917 32.500 0.048 0.000 1.055 142 K HN 0.238 nan 8.250 nan 0.000 0.461 143 I N 4.816 125.319 120.570 -0.113 0.000 2.573 143 I HA -0.084 4.086 4.170 -0.000 0.000 0.295 143 I C 1.395 177.380 176.117 -0.220 0.000 1.141 143 I CA 0.218 61.315 61.300 -0.340 0.000 1.364 143 I CB -0.222 37.608 38.000 -0.284 0.000 1.447 143 I HN 0.604 nan 8.210 nan 0.000 0.571 144 I N 3.885 124.318 120.570 -0.227 0.000 2.233 144 I HA -0.121 4.048 4.170 -0.000 0.000 0.243 144 I C 1.202 177.238 176.117 -0.134 0.000 1.093 144 I CA 1.250 62.465 61.300 -0.142 0.000 1.380 144 I CB -0.066 37.861 38.000 -0.121 0.000 1.067 144 I HN 0.637 nan 8.210 nan 0.000 0.413 145 Q N 0.877 120.569 119.800 -0.179 0.000 2.345 145 Q HA 0.362 4.702 4.340 -0.000 0.000 0.275 145 Q C -1.154 174.748 176.000 -0.164 0.000 1.063 145 Q CA -0.723 54.999 55.803 -0.135 0.000 0.819 145 Q CB 2.600 31.273 28.738 -0.108 0.000 1.356 145 Q HN 0.030 nan 8.270 nan 0.000 0.418 146 K N 1.890 122.232 120.400 -0.096 0.000 2.637 146 K HA 0.450 4.770 4.320 -0.000 0.000 0.248 146 K C -1.577 175.020 176.600 -0.004 0.000 0.971 146 K CA -0.243 56.006 56.287 -0.062 0.000 0.858 146 K CB 1.484 33.978 32.500 -0.010 0.000 1.170 146 K HN 0.712 nan 8.250 nan 0.000 0.443 147 T N 0.768 115.327 114.554 0.007 0.000 2.901 147 T HA 0.605 4.955 4.350 -0.000 0.000 0.293 147 T C -2.893 171.866 174.700 0.097 0.000 1.084 147 T CA -2.248 59.881 62.100 0.048 0.000 1.008 147 T CB 1.770 70.666 68.868 0.046 0.000 1.170 147 T HN 0.250 nan 8.240 nan 0.000 0.509 148 P HA 0.430 nan 4.420 nan 0.000 0.274 148 P C -1.720 175.707 177.300 0.211 0.000 1.231 148 P CA -0.237 62.945 63.100 0.137 0.000 0.790 148 P CB 0.155 31.908 31.700 0.089 0.000 0.951 149 Y N 2.428 122.749 120.300 0.034 0.000 2.441 149 Y HA 0.371 4.921 4.550 -0.000 0.000 0.334 149 Y C -2.696 173.219 175.900 0.026 0.000 1.061 149 Y CA -2.443 55.670 58.100 0.023 0.000 1.032 149 Y CB 2.135 40.604 38.460 0.015 0.000 1.266 149 Y HN 0.276 nan 8.280 nan 0.000 0.441 150 P HA 0.340 nan 4.420 nan 0.000 0.286 150 P C -1.476 175.689 177.300 -0.224 0.000 1.321 150 P CA -0.106 62.862 63.100 -0.221 0.000 0.790 150 P CB 0.754 32.312 31.700 -0.237 0.000 0.897 151 R N 3.393 123.879 120.500 -0.022 0.000 2.664 151 R HA 0.649 4.988 4.340 -0.000 0.000 0.266 151 R C -2.980 173.353 176.300 0.055 0.000 1.046 151 R CA -1.605 54.522 56.100 0.045 0.000 0.885 151 R CB -0.318 30.099 30.300 0.195 0.000 1.254 151 R HN 0.134 nan 8.270 nan 0.000 0.465 152 P HA 0.132 nan 4.420 nan 0.000 0.274 152 P C -0.809 176.524 177.300 0.054 0.000 1.256 152 P CA -0.651 62.472 63.100 0.038 0.000 0.795 152 P CB 0.648 32.364 31.700 0.026 0.000 1.038 153 R N -0.048 120.479 120.500 0.045 0.000 2.638 153 R HA 0.329 4.669 4.340 -0.000 0.000 0.268 153 R C 0.523 176.859 176.300 0.059 0.000 1.006 153 R CA 1.572 57.706 56.100 0.055 0.000 1.088 153 R CB -0.685 29.632 30.300 0.029 0.000 0.950 153 R HN 0.892 nan 8.270 nan 0.000 0.419 154 G N 1.261 110.108 108.800 0.078 0.000 2.315 154 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.296 154 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.296 154 G C -1.412 173.527 174.900 0.064 0.000 1.289 154 G CA -0.495 44.644 45.100 0.064 0.000 0.996 154 G HN 0.640 nan 8.290 nan 0.000 0.487 155 T N 0.038 114.616 114.554 0.040 0.000 2.916 155 T HA 0.732 5.082 4.350 -0.000 0.000 0.305 155 T C -0.858 173.845 174.700 0.006 0.000 1.119 155 T CA -0.294 61.819 62.100 0.021 0.000 1.008 155 T CB 2.081 70.954 68.868 0.008 0.000 1.129 155 T HN 0.772 nan 8.240 nan 0.000 0.480 156 T N 2.115 116.664 114.554 -0.009 0.000 2.847 156 T HA 0.527 4.877 4.350 -0.000 0.000 0.291 156 T C -0.635 174.043 174.700 -0.038 0.000 0.998 156 T CA -0.461 61.629 62.100 -0.016 0.000 0.967 156 T CB 0.999 69.865 68.868 -0.003 0.000 0.954 156 T HN 0.385 nan 8.240 nan 0.000 0.441 157 V N 3.635 123.525 119.914 -0.039 0.000 2.357 157 V HA 0.442 4.562 4.120 -0.000 0.000 0.284 157 V C 0.026 176.094 176.094 -0.044 0.000 1.018 157 V CA -0.691 61.577 62.300 -0.054 0.000 0.841 157 V CB 1.543 33.324 31.823 -0.070 0.000 0.991 157 V HN 0.929 nan 8.190 nan 0.000 0.437 158 S N 4.239 119.915 115.700 -0.041 0.000 2.448 158 S HA 0.467 4.937 4.470 -0.000 0.000 0.320 158 S C -0.199 174.384 174.600 -0.027 0.000 1.071 158 S CA -0.489 57.695 58.200 -0.027 0.000 1.113 158 S CB 1.427 64.614 63.200 -0.021 0.000 0.972 158 S HN 0.440 nan 8.310 nan 0.000 0.465 159 V N 4.852 124.749 119.914 -0.028 0.000 2.304 159 V HA 0.251 4.371 4.120 -0.000 0.000 0.269 159 V C -0.087 176.004 176.094 -0.005 0.000 1.036 159 V CA -0.543 61.737 62.300 -0.033 0.000 0.840 159 V CB 0.564 32.347 31.823 -0.066 0.000 1.036 159 V HN 0.775 nan 8.190 nan 0.000 0.466 160 Q N 3.532 123.340 119.800 0.013 0.000 2.274 160 Q HA 0.474 4.814 4.340 -0.000 0.000 0.256 160 Q C -0.051 175.986 176.000 0.063 0.000 0.927 160 Q CA -0.331 55.494 55.803 0.038 0.000 0.939 160 Q CB 0.942 29.701 28.738 0.035 0.000 1.201 160 Q HN 0.678 nan 8.270 nan 0.000 0.426 161 Q N 0.800 120.658 119.800 0.095 0.000 2.453 161 Q HA -0.224 4.116 4.340 -0.000 0.000 0.330 161 Q C -0.644 175.454 176.000 0.165 0.000 1.417 161 Q CA -0.130 55.771 55.803 0.163 0.000 0.902 161 Q CB -1.435 27.380 28.738 0.129 0.000 1.154 161 Q HN 0.551 nan 8.270 nan 0.000 0.395 162 L N 0.118 121.388 121.223 0.078 0.000 2.573 162 L HA -0.075 4.265 4.340 -0.000 0.000 0.290 162 L C 0.442 177.307 176.870 -0.008 0.000 1.247 162 L CA 1.258 55.995 54.840 -0.172 0.000 0.876 162 L CB -0.147 41.586 42.059 -0.543 0.000 1.123 162 L HN 0.418 nan 8.230 nan 0.000 0.505 163 F N 1.591 121.584 119.950 0.072 0.000 3.057 163 F HA -0.267 4.260 4.527 -0.000 0.000 0.287 163 F C 1.736 177.630 175.800 0.157 0.000 0.834 163 F CA 1.067 59.116 58.000 0.082 0.000 1.147 163 F CB -2.693 36.347 39.000 0.066 0.000 1.245 163 F HN 0.649 nan 8.300 nan 0.000 0.509 164 S N -1.714 114.117 115.700 0.217 0.000 2.470 164 S HA -0.064 4.406 4.470 -0.000 0.000 0.225 164 S C 1.831 176.411 174.600 -0.033 0.000 1.006 164 S CA 0.961 59.176 58.200 0.025 0.000 0.934 164 S CB -0.397 62.788 63.200 -0.025 0.000 0.778 164 S HN 0.566 nan 8.310 nan 0.000 0.517 165 T N -0.054 114.473 114.554 -0.045 0.000 3.088 165 T HA 0.333 4.682 4.350 -0.000 0.000 0.259 165 T C 0.555 175.232 174.700 -0.039 0.000 1.122 165 T CA 0.060 62.088 62.100 -0.120 0.000 1.095 165 T CB -0.426 68.278 68.868 -0.272 0.000 0.930 165 T HN 0.377 nan 8.240 nan 0.000 0.508 166 L N 1.701 122.943 121.223 0.032 0.000 2.457 166 L HA 0.357 4.697 4.340 -0.000 0.000 0.252 166 L C -2.012 174.901 176.870 0.071 0.000 1.132 166 L CA -2.321 52.539 54.840 0.033 0.000 0.938 166 L CB 1.932 44.004 42.059 0.022 0.000 1.246 166 L HN -0.103 nan 8.230 nan 0.000 0.476 167 P HA -0.201 nan 4.420 nan 0.000 0.218 167 P C 1.636 178.997 177.300 0.101 0.000 1.146 167 P CA 1.022 64.167 63.100 0.076 0.000 0.820 167 P CB 0.341 32.059 31.700 0.030 0.000 0.778 168 V N -0.599 119.345 119.914 0.050 0.000 2.407 168 V HA -0.125 3.995 4.120 -0.000 0.000 0.245 168 V C 2.610 178.711 176.094 0.012 0.000 1.041 168 V CA 1.439 63.755 62.300 0.027 0.000 1.040 168 V CB -0.817 31.002 31.823 -0.007 0.000 0.671 168 V HN 0.025 nan 8.190 nan 0.000 0.455 169 R N -0.698 119.781 120.500 -0.035 0.000 2.115 169 R HA -0.131 4.209 4.340 -0.000 0.000 0.230 169 R C 2.313 178.616 176.300 0.006 0.000 1.111 169 R CA 1.278 57.274 56.100 -0.174 0.000 0.976 169 R CB -0.708 29.328 30.300 -0.440 0.000 0.870 169 R HN 0.664 nan 8.270 nan 0.000 0.445 170 H N 0.551 119.690 119.070 0.116 0.000 2.353 170 H HA -0.115 4.441 4.556 -0.000 0.000 0.300 170 H C 1.739 177.206 175.328 0.232 0.000 1.090 170 H CA 1.798 58.015 56.048 0.283 0.000 1.327 170 H CB 0.409 30.302 29.762 0.217 0.000 1.383 170 H HN -0.085 nan 8.280 nan 0.000 0.508 171 K N 1.195 121.712 120.400 0.195 0.000 2.103 171 K HA -0.114 4.206 4.320 -0.000 0.000 0.204 171 K C 2.290 178.922 176.600 0.053 0.000 1.052 171 K CA 1.496 57.846 56.287 0.105 0.000 0.945 171 K CB -0.211 32.353 32.500 0.107 0.000 0.722 171 K HN 0.477 nan 8.250 nan 0.000 0.443 172 E N -0.736 119.499 120.200 0.058 0.000 2.077 172 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 172 E C 1.804 178.473 176.600 0.115 0.000 0.989 172 E CA 1.035 57.462 56.400 0.044 0.000 0.800 172 E CB -0.329 29.367 29.700 -0.006 0.000 0.746 172 E HN 0.278 nan 8.360 nan 0.000 0.452 173 F N 2.052 121.978 119.950 -0.041 0.000 2.043 173 F HA -0.241 4.286 4.527 -0.000 0.000 0.297 173 F C 2.204 177.986 175.800 -0.029 0.000 1.121 173 F CA 2.182 60.190 58.000 0.014 0.000 1.199 173 F CB -0.892 38.179 39.000 0.119 0.000 0.968 173 F HN 0.101 nan 8.300 nan 0.000 0.478 174 Q N -0.244 119.460 119.800 -0.159 0.000 2.030 174 Q HA -0.231 4.109 4.340 -0.000 0.000 0.204 174 Q C 2.445 178.368 176.000 -0.129 0.000 0.986 174 Q CA 1.959 57.605 55.803 -0.262 0.000 0.843 174 Q CB -0.365 28.253 28.738 -0.199 0.000 0.904 174 Q HN 0.398 nan 8.270 nan 0.000 0.420 175 R N 0.449 120.918 120.500 -0.051 0.000 2.091 175 R HA -0.087 4.253 4.340 -0.000 0.000 0.238 175 R C 0.799 177.086 176.300 -0.022 0.000 1.136 175 R CA 1.260 57.345 56.100 -0.026 0.000 0.959 175 R CB 0.010 30.308 30.300 -0.003 0.000 0.856 175 R HN 0.284 nan 8.270 nan 0.000 0.437 176 N N 0.498 119.202 118.700 0.006 0.000 2.320 176 N HA -0.013 4.727 4.740 -0.000 0.000 0.237 176 N C 0.841 176.368 175.510 0.028 0.000 1.129 176 N CA 0.035 53.098 53.050 0.022 0.000 0.854 176 N CB 0.645 39.162 38.487 0.049 0.000 1.083 176 N HN 0.124 nan 8.380 nan 0.000 0.504 177 I N 1.430 121.971 120.570 -0.049 0.000 2.264 177 I HA -0.239 3.931 4.170 -0.000 0.000 0.248 177 I C 1.839 177.910 176.117 -0.077 0.000 1.111 177 I CA 1.574 62.815 61.300 -0.097 0.000 1.382 177 I CB 0.135 37.987 38.000 -0.247 0.000 1.060 177 I HN -0.100 nan 8.210 nan 0.000 0.418 178 K N 0.895 121.233 120.400 -0.103 0.000 2.209 178 K HA -0.171 4.149 4.320 -0.000 0.000 0.204 178 K C 1.870 178.465 176.600 -0.009 0.000 1.048 178 K CA 1.638 57.867 56.287 -0.096 0.000 0.940 178 K CB -0.336 32.109 32.500 -0.091 0.000 0.729 178 K HN 0.572 nan 8.250 nan 0.000 0.451 179 K N -0.294 120.114 120.400 0.014 0.000 2.355 179 K HA 0.145 4.465 4.320 -0.000 0.000 0.198 179 K C 1.423 178.057 176.600 0.057 0.000 1.039 179 K CA 0.230 56.532 56.287 0.024 0.000 1.075 179 K CB 0.497 33.003 32.500 0.010 0.000 0.870 179 K HN -0.240 nan 8.250 nan 0.000 0.540 180 E N 0.202 120.469 120.200 0.111 0.000 2.122 180 E HA -0.090 4.260 4.350 -0.000 0.000 0.190 180 E C 1.308 178.026 176.600 0.197 0.000 0.977 180 E CA 0.769 57.278 56.400 0.182 0.000 0.820 180 E CB -0.210 29.692 29.700 0.336 0.000 0.770 180 E HN 0.423 nan 8.360 nan 0.000 0.462 181 Y N 1.282 121.610 120.300 0.047 0.000 2.263 181 Y HA -0.023 4.527 4.550 -0.000 0.000 0.292 181 Y C 2.130 178.034 175.900 0.007 0.000 1.130 181 Y CA 1.226 59.343 58.100 0.028 0.000 1.179 181 Y CB -0.319 38.079 38.460 -0.103 0.000 0.998 181 Y HN -0.009 nan 8.280 nan 0.000 0.532 182 A N 0.213 123.009 122.820 -0.040 0.000 1.933 182 A HA -0.202 4.118 4.320 -0.000 0.000 0.218 182 A C 2.288 179.805 177.584 -0.113 0.000 1.175 182 A CA 1.870 53.844 52.037 -0.104 0.000 0.628 182 A CB -0.642 18.342 19.000 -0.026 0.000 0.814 182 A HN 0.471 nan 8.150 nan 0.000 0.444 183 K N -0.993 119.375 120.400 -0.053 0.000 2.155 183 K HA -0.039 4.281 4.320 -0.000 0.000 0.203 183 K C 2.103 178.673 176.600 -0.050 0.000 1.052 183 K CA 1.270 57.534 56.287 -0.039 0.000 0.948 183 K CB -0.188 32.312 32.500 -0.000 0.000 0.728 183 K HN 0.590 nan 8.250 nan 0.000 0.448 184 M N 0.578 120.136 119.600 -0.070 0.000 2.175 184 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 184 M C 1.549 177.756 176.300 -0.155 0.000 1.063 184 M CA 1.371 56.631 55.300 -0.066 0.000 1.119 184 M CB 0.110 32.696 32.600 -0.023 0.000 1.377 184 M HN -0.043 nan 8.290 nan 0.000 0.415 185 V N 0.880 120.595 119.914 -0.332 0.000 2.594 185 V HA -0.249 3.871 4.120 -0.000 0.000 0.253 185 V C 2.292 178.218 176.094 -0.279 0.000 1.069 185 V CA 1.790 63.829 62.300 -0.436 0.000 1.082 185 V CB -0.874 30.622 31.823 -0.545 0.000 0.680 185 V HN 0.531 nan 8.190 nan 0.000 0.469 186 Q N -0.149 119.602 119.800 -0.081 0.000 2.079 186 Q HA -0.112 4.228 4.340 -0.000 0.000 0.200 186 Q C 2.141 178.258 176.000 0.195 0.000 0.974 186 Q CA 1.690 57.556 55.803 0.105 0.000 0.840 186 Q CB -0.319 28.415 28.738 -0.008 0.000 0.898 186 Q HN 0.491 nan 8.270 nan 0.000 0.430 187 V N 0.372 120.342 119.914 0.093 0.000 2.307 187 V HA -0.226 3.894 4.120 -0.000 0.000 0.245 187 V C 2.149 178.390 176.094 0.246 0.000 1.045 187 V CA 1.570 63.954 62.300 0.141 0.000 1.024 187 V CB -0.714 31.197 31.823 0.146 0.000 0.651 187 V HN 0.382 nan 8.190 nan 0.000 0.449 188 L N 0.114 121.439 121.223 0.170 0.000 1.970 188 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 188 L C 2.415 179.441 176.870 0.260 0.000 1.071 188 L CA 2.206 57.162 54.840 0.193 0.000 0.751 188 L CB -1.052 41.035 42.059 0.047 0.000 0.889 188 L HN 0.430 nan 8.230 nan 0.000 0.432 189 H N -0.975 118.177 119.070 0.137 0.000 2.387 189 H HA -0.154 4.402 4.556 -0.000 0.000 0.299 189 H C 2.137 177.439 175.328 -0.045 0.000 1.099 189 H CA 0.701 56.768 56.048 0.031 0.000 1.315 189 H CB -0.049 29.806 29.762 0.155 0.000 1.380 189 H HN 0.590 nan 8.280 nan 0.000 0.513 190 A N 0.909 123.883 122.820 0.258 0.000 1.865 190 A HA -0.233 4.087 4.320 -0.000 0.000 0.217 190 A C 1.917 179.625 177.584 0.207 0.000 1.191 190 A CA 1.629 53.805 52.037 0.232 0.000 0.623 190 A CB -1.000 18.101 19.000 0.167 0.000 0.826 190 A HN 0.395 nan 8.150 nan 0.000 0.444 191 Y N -0.394 120.037 120.300 0.219 0.000 2.224 191 Y HA -0.228 4.322 4.550 -0.000 0.000 0.289 191 Y C 2.876 178.815 175.900 0.065 0.000 1.146 191 Y CA 0.910 59.099 58.100 0.148 0.000 1.182 191 Y CB -0.966 37.560 38.460 0.109 0.000 0.983 191 Y HN 0.403 nan 8.280 nan 0.000 0.524 192 C N -0.270 119.145 119.300 0.191 0.000 2.429 192 C HA -0.180 4.280 4.460 -0.000 0.000 0.277 192 C C 2.737 177.721 174.990 -0.010 0.000 1.262 192 C CA 0.795 59.850 59.018 0.062 0.000 1.733 192 C CB -1.314 26.427 27.740 0.001 0.000 2.010 192 C HN 0.488 nan 8.230 nan 0.000 0.483 193 I N 0.236 120.782 120.570 -0.041 0.000 2.163 193 I HA -0.176 3.994 4.170 -0.000 0.000 0.240 193 I C 2.380 178.430 176.117 -0.111 0.000 1.081 193 I CA 1.628 62.877 61.300 -0.085 0.000 1.353 193 I CB -0.380 37.555 38.000 -0.109 0.000 1.054 193 I HN 0.234 nan 8.210 nan 0.000 0.407 194 I N 0.210 120.678 120.570 -0.170 0.000 2.500 194 I HA -0.085 4.085 4.170 -0.000 0.000 0.252 194 I C 1.192 177.239 176.117 -0.117 0.000 1.142 194 I CA 0.939 62.050 61.300 -0.315 0.000 1.451 194 I CB 0.035 37.676 38.000 -0.599 0.000 1.093 194 I HN -0.034 nan 8.210 nan 0.000 0.430 195 S N 2.903 118.602 115.700 -0.000 0.000 3.065 195 S HA 0.508 4.978 4.470 -0.000 0.000 0.311 195 S C 0.303 174.904 174.600 0.001 0.000 1.204 195 S CA -0.217 58.002 58.200 0.032 0.000 1.040 195 S CB -0.352 62.902 63.200 0.090 0.000 1.436 195 S HN 0.403 nan 8.310 nan 0.000 0.532 196 A N 2.067 124.877 122.820 -0.016 0.000 2.340 196 A HA 0.668 4.988 4.320 -0.000 0.000 0.268 196 A C 1.424 179.004 177.584 -0.007 0.000 1.100 196 A CA -0.047 51.980 52.037 -0.016 0.000 0.803 196 A CB -0.221 18.767 19.000 -0.020 0.000 1.043 196 A HN 1.441 nan 8.150 nan 0.000 0.488 197 G N 0.312 109.107 108.800 -0.008 0.000 2.168 197 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.263 197 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.263 197 G C 0.005 174.903 174.900 -0.003 0.000 0.977 197 G CA 0.658 45.755 45.100 -0.005 0.000 0.659 197 G HN 0.863 nan 8.290 nan 0.000 0.533 198 I N 0.204 120.774 120.570 -0.001 0.000 2.418 198 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 198 I C 0.586 176.703 176.117 -0.000 0.000 1.008 198 I CA -0.979 60.321 61.300 0.001 0.000 1.104 198 I CB 1.827 39.831 38.000 0.008 0.000 1.264 198 I HN 0.094 nan 8.210 nan 0.000 0.438 199 R N 6.404 126.903 120.500 -0.002 0.000 2.248 199 R HA 0.456 4.796 4.340 -0.000 0.000 0.337 199 R C -1.452 174.848 176.300 0.000 0.000 1.085 199 R CA -0.203 55.895 56.100 -0.003 0.000 0.934 199 R CB 0.563 30.861 30.300 -0.004 0.000 1.034 199 R HN 0.462 nan 8.270 nan 0.000 0.465 200 V N 4.281 124.197 119.914 0.004 0.000 2.459 200 V HA 0.441 4.561 4.120 -0.000 0.000 0.295 200 V C -0.207 175.896 176.094 0.014 0.000 1.029 200 V CA -0.411 61.896 62.300 0.012 0.000 0.874 200 V CB 1.633 33.475 31.823 0.031 0.000 0.985 200 V HN 0.972 nan 8.190 nan 0.000 0.438 201 S N 3.559 119.270 115.700 0.019 0.000 2.607 201 S HA 0.788 5.258 4.470 -0.000 0.000 0.273 201 S C -1.076 173.546 174.600 0.038 0.000 1.148 201 S CA -0.726 57.490 58.200 0.025 0.000 0.833 201 S CB 1.972 65.182 63.200 0.017 0.000 1.130 201 S HN 1.120 nan 8.310 nan 0.000 0.470 202 C N 2.151 121.481 119.300 0.050 0.000 2.880 202 C HA 0.919 5.379 4.460 -0.000 0.000 0.320 202 C C -0.599 174.431 174.990 0.067 0.000 1.176 202 C CA 0.554 59.611 59.018 0.065 0.000 1.390 202 C CB 0.582 28.376 27.740 0.090 0.000 1.846 202 C HN 1.436 nan 8.230 nan 0.000 0.478 203 T N 2.132 116.722 114.554 0.060 0.000 2.896 203 T HA 0.717 5.067 4.350 -0.000 0.000 0.297 203 T C -1.150 173.570 174.700 0.034 0.000 1.108 203 T CA -0.531 61.595 62.100 0.044 0.000 1.004 203 T CB 1.806 70.687 68.868 0.022 0.000 1.159 203 T HN 0.957 nan 8.240 nan 0.000 0.499 204 N N 0.130 118.829 118.700 -0.003 0.000 2.284 204 N HA 0.470 5.210 4.740 -0.000 0.000 0.289 204 N C -1.834 173.601 175.510 -0.126 0.000 1.179 204 N CA -0.614 52.388 53.050 -0.081 0.000 0.774 204 N CB 2.544 40.949 38.487 -0.137 0.000 1.548 204 N HN 0.886 nan 8.380 nan 0.000 0.473 205 Q N 2.478 122.173 119.800 -0.175 0.000 2.263 205 Q HA 0.442 4.782 4.340 -0.000 0.000 0.266 205 Q C -1.680 174.190 176.000 -0.217 0.000 1.002 205 Q CA -0.539 55.172 55.803 -0.153 0.000 0.790 205 Q CB 1.111 29.795 28.738 -0.089 0.000 1.272 205 Q HN 0.608 nan 8.270 nan 0.000 0.435 206 L N 4.096 125.185 121.223 -0.224 0.000 2.282 206 L HA 0.532 4.872 4.340 -0.000 0.000 0.288 206 L C 1.187 177.984 176.870 -0.122 0.000 1.033 206 L CA 0.355 55.058 54.840 -0.227 0.000 0.807 206 L CB 1.223 43.138 42.059 -0.241 0.000 1.209 206 L HN 1.075 nan 8.230 nan 0.000 0.423 207 G N 3.150 111.892 108.800 -0.097 0.000 2.698 207 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.337 207 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.337 207 G C 0.605 175.477 174.900 -0.045 0.000 1.196 207 G CA 0.723 45.789 45.100 -0.057 0.000 0.965 207 G HN 0.634 nan 8.290 nan 0.000 0.550 208 Q N 1.491 121.269 119.800 -0.036 0.000 2.189 208 Q HA 0.472 4.812 4.340 -0.000 0.000 0.221 208 Q C 1.055 177.037 176.000 -0.029 0.000 0.848 208 Q CA 0.337 56.123 55.803 -0.028 0.000 1.007 208 Q CB 0.619 29.346 28.738 -0.019 0.000 1.116 208 Q HN 0.774 nan 8.270 nan 0.000 0.481 209 G N 0.544 109.320 108.800 -0.040 0.000 2.531 209 G HA2 0.257 4.217 3.960 -0.000 0.000 0.313 209 G HA3 0.257 4.217 3.960 -0.000 0.000 0.313 209 G C -0.587 174.292 174.900 -0.035 0.000 1.238 209 G CA -0.681 44.397 45.100 -0.037 0.000 0.994 209 G HN 0.085 nan 8.290 nan 0.000 0.493 210 K N 0.341 120.724 120.400 -0.028 0.000 2.350 210 K HA 0.166 4.486 4.320 -0.000 0.000 0.279 210 K C 0.161 176.743 176.600 -0.031 0.000 1.027 210 K CA -0.540 55.733 56.287 -0.023 0.000 0.969 210 K CB 1.398 33.889 32.500 -0.015 0.000 0.954 210 K HN 0.582 nan 8.250 nan 0.000 0.474 211 R N 2.092 122.576 120.500 -0.027 0.000 2.537 211 R HA -0.010 4.330 4.340 -0.000 0.000 0.280 211 R C -0.469 175.819 176.300 -0.020 0.000 1.058 211 R CA 0.269 56.351 56.100 -0.031 0.000 1.057 211 R CB 0.536 30.823 30.300 -0.021 0.000 0.973 211 R HN 0.651 nan 8.270 nan 0.000 0.438 212 Q N 4.903 124.690 119.800 -0.022 0.000 2.365 212 Q HA 0.404 4.744 4.340 -0.000 0.000 0.269 212 Q C -2.412 173.597 176.000 0.014 0.000 1.061 212 Q CA -2.401 53.400 55.803 -0.003 0.000 0.816 212 Q CB 2.193 30.929 28.738 -0.003 0.000 1.325 212 Q HN 0.543 nan 8.270 nan 0.000 0.446 213 P HA 0.040 nan 4.420 nan 0.000 0.271 213 P C -0.015 177.320 177.300 0.058 0.000 1.218 213 P CA -0.102 63.018 63.100 0.034 0.000 0.780 213 P CB 1.036 32.751 31.700 0.025 0.000 0.901 214 V N 1.892 121.852 119.914 0.077 0.000 2.840 214 V HA 0.179 4.299 4.120 -0.000 0.000 0.234 214 V C 0.809 176.966 176.094 0.104 0.000 1.159 214 V CA 0.633 63.005 62.300 0.119 0.000 1.194 214 V CB 0.428 32.347 31.823 0.160 0.000 0.971 214 V HN 0.391 nan 8.190 nan 0.000 0.494 215 V N -1.201 118.761 119.914 0.080 0.000 3.178 215 V HA 0.710 4.830 4.120 -0.000 0.000 0.302 215 V C -2.268 173.835 176.094 0.016 0.000 1.262 215 V CA -0.482 61.841 62.300 0.039 0.000 1.030 215 V CB 2.064 33.929 31.823 0.069 0.000 1.074 215 V HN 0.421 nan 8.190 nan 0.000 0.438 216 C N 3.749 123.038 119.300 -0.018 0.000 2.931 216 C HA 0.790 5.250 4.460 -0.000 0.000 0.370 216 C C -0.162 174.805 174.990 -0.039 0.000 1.071 216 C CA 0.372 59.380 59.018 -0.017 0.000 1.266 216 C CB 0.810 28.544 27.740 -0.010 0.000 1.691 216 C HN 1.264 nan 8.230 nan 0.000 0.511 217 T N 1.497 116.032 114.554 -0.033 0.000 2.952 217 T HA 0.652 5.002 4.350 -0.000 0.000 0.286 217 T C 0.867 175.550 174.700 -0.029 0.000 1.024 217 T CA 0.195 62.269 62.100 -0.043 0.000 1.029 217 T CB 1.755 70.599 68.868 -0.041 0.000 1.094 217 T HN 1.160 nan 8.240 nan 0.000 0.515 218 G N -1.446 107.336 108.800 -0.031 0.000 3.233 218 G HA2 0.463 4.423 3.960 -0.000 0.000 0.234 218 G HA3 0.463 4.423 3.960 -0.000 0.000 0.234 218 G C 1.074 175.964 174.900 -0.017 0.000 1.137 218 G CA -0.130 44.956 45.100 -0.022 0.000 0.763 218 G HN 1.805 nan 8.290 nan 0.000 0.549 219 G N -0.022 108.769 108.800 -0.016 0.000 2.160 219 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.244 219 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.244 219 G C 0.437 175.329 174.900 -0.012 0.000 1.022 219 G CA 0.525 45.618 45.100 -0.011 0.000 0.741 219 G HN 1.080 nan 8.290 nan 0.000 0.508 220 S N 0.366 116.056 115.700 -0.017 0.000 2.592 220 S HA 0.610 5.080 4.470 -0.000 0.000 0.271 220 S C -0.166 174.427 174.600 -0.011 0.000 1.326 220 S CA -0.512 57.679 58.200 -0.015 0.000 1.024 220 S CB 1.405 64.593 63.200 -0.020 0.000 0.921 220 S HN 0.164 nan 8.310 nan 0.000 0.527 221 P HA 0.105 nan 4.420 nan 0.000 0.249 221 P C -0.057 177.245 177.300 0.003 0.000 1.229 221 P CA 0.063 63.161 63.100 -0.004 0.000 0.788 221 P CB -0.053 31.645 31.700 -0.002 0.000 1.072 222 S N -1.070 114.634 115.700 0.007 0.000 2.532 222 S HA 0.410 4.880 4.470 -0.000 0.000 0.301 222 S C 1.012 175.628 174.600 0.027 0.000 1.083 222 S CA -0.787 57.430 58.200 0.029 0.000 1.025 222 S CB 1.144 64.370 63.200 0.044 0.000 1.056 222 S HN -0.168 nan 8.310 nan 0.000 0.494 223 I N 1.712 122.326 120.570 0.073 0.000 2.394 223 I HA -0.103 4.067 4.170 -0.000 0.000 0.251 223 I C 2.609 178.743 176.117 0.028 0.000 1.136 223 I CA 0.990 62.339 61.300 0.080 0.000 1.425 223 I CB -0.245 37.868 38.000 0.188 0.000 1.079 223 I HN 0.795 nan 8.210 nan 0.000 0.425 224 K N 1.257 121.663 120.400 0.010 0.000 2.026 224 K HA -0.200 4.120 4.320 -0.000 0.000 0.208 224 K C 1.982 178.486 176.600 -0.160 0.000 1.048 224 K CA 1.538 57.670 56.287 -0.257 0.000 0.929 224 K CB 0.027 32.406 32.500 -0.201 0.000 0.713 224 K HN 0.300 nan 8.250 nan 0.000 0.439 225 E N 0.203 120.356 120.200 -0.078 0.000 2.077 225 E HA -0.185 4.165 4.350 -0.000 0.000 0.193 225 E C 1.834 178.387 176.600 -0.079 0.000 0.989 225 E CA 1.003 57.361 56.400 -0.070 0.000 0.800 225 E CB -0.111 29.565 29.700 -0.041 0.000 0.746 225 E HN 0.343 nan 8.360 nan 0.000 0.452 226 N N 1.008 119.667 118.700 -0.069 0.000 2.142 226 N HA -0.100 4.640 4.740 -0.000 0.000 0.186 226 N C 1.955 177.394 175.510 -0.119 0.000 1.023 226 N CA 0.795 53.794 53.050 -0.085 0.000 0.852 226 N CB -0.206 38.240 38.487 -0.067 0.000 0.998 226 N HN 0.190 nan 8.380 nan 0.000 0.424 227 I N 0.685 121.201 120.570 -0.089 0.000 2.264 227 I HA -0.198 3.971 4.170 -0.000 0.000 0.248 227 I C 2.351 178.419 176.117 -0.082 0.000 1.111 227 I CA 1.295 62.574 61.300 -0.036 0.000 1.382 227 I CB -0.573 37.435 38.000 0.013 0.000 1.060 227 I HN 0.158 nan 8.210 nan 0.000 0.418 228 G N -0.180 108.551 108.800 -0.115 0.000 2.402 228 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 228 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 228 G C 1.748 176.578 174.900 -0.117 0.000 1.162 228 G CA 0.846 45.882 45.100 -0.107 0.000 0.777 228 G HN 0.352 nan 8.290 nan 0.000 0.539 229 S N -0.049 115.573 115.700 -0.130 0.000 2.382 229 S HA -0.106 4.364 4.470 -0.000 0.000 0.228 229 S C 2.469 176.942 174.600 -0.211 0.000 1.027 229 S CA 1.220 59.340 58.200 -0.134 0.000 0.991 229 S CB -0.149 62.984 63.200 -0.112 0.000 0.823 229 S HN 0.200 nan 8.310 nan 0.000 0.469 230 V N -0.102 119.600 119.914 -0.354 0.000 2.407 230 V HA 0.018 4.138 4.120 -0.000 0.000 0.245 230 V C 1.140 176.765 176.094 -0.782 0.000 1.041 230 V CA 1.422 63.305 62.300 -0.695 0.000 1.040 230 V CB -0.512 30.625 31.823 -1.145 0.000 0.671 230 V HN 0.459 nan 8.190 nan 0.000 0.455 231 F N 0.129 119.988 119.950 -0.151 0.000 2.683 231 F HA 0.649 5.176 4.527 -0.000 0.000 0.306 231 F C 1.103 176.832 175.800 -0.119 0.000 1.102 231 F CA -0.186 57.737 58.000 -0.128 0.000 1.244 231 F CB -0.034 38.880 39.000 -0.143 0.000 1.029 231 F HN 0.206 nan 8.300 nan 0.000 0.545 232 G N 0.933 109.735 108.800 0.002 0.000 2.728 232 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.686 232 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.686 232 G C 0.406 175.280 174.900 -0.043 0.000 1.337 232 G CA -0.685 44.404 45.100 -0.018 0.000 0.861 232 G HN 0.093 nan 8.290 nan 0.000 0.597 233 Q N 0.694 120.462 119.800 -0.054 0.000 2.439 233 Q HA -0.085 4.255 4.340 -0.000 0.000 0.211 233 Q C 2.342 178.296 176.000 -0.076 0.000 0.978 233 Q CA 1.554 57.315 55.803 -0.070 0.000 0.897 233 Q CB -0.054 28.650 28.738 -0.056 0.000 0.956 233 Q HN 0.820 nan 8.270 nan 0.000 0.483 234 K N 0.754 121.115 120.400 -0.065 0.000 2.217 234 K HA -0.165 4.155 4.320 -0.000 0.000 0.202 234 K C 1.930 178.466 176.600 -0.108 0.000 1.051 234 K CA 0.814 57.060 56.287 -0.068 0.000 0.952 234 K CB 0.281 32.752 32.500 -0.047 0.000 0.736 234 K HN -0.049 nan 8.250 nan 0.000 0.453 235 Q N 0.981 120.693 119.800 -0.147 0.000 2.230 235 Q HA -0.003 4.337 4.340 -0.000 0.000 0.202 235 Q C 1.669 177.484 176.000 -0.308 0.000 0.963 235 Q CA 1.158 56.800 55.803 -0.269 0.000 0.866 235 Q CB -0.049 28.487 28.738 -0.336 0.000 0.931 235 Q HN 0.390 nan 8.270 nan 0.000 0.452 236 L N 0.127 121.211 121.223 -0.232 0.000 2.376 236 L HA -0.123 4.216 4.340 -0.000 0.000 0.219 236 L C 2.119 178.901 176.870 -0.147 0.000 1.133 236 L CA 0.814 55.518 54.840 -0.227 0.000 0.816 236 L CB -0.317 41.621 42.059 -0.202 0.000 0.933 236 L HN 0.334 nan 8.230 nan 0.000 0.449 237 Q N -0.247 119.484 119.800 -0.115 0.000 2.224 237 Q HA -0.115 4.225 4.340 -0.000 0.000 0.203 237 Q C 1.844 177.818 176.000 -0.044 0.000 0.970 237 Q CA 1.645 57.408 55.803 -0.066 0.000 0.865 237 Q CB 0.030 28.735 28.738 -0.054 0.000 0.922 237 Q HN 0.531 nan 8.270 nan 0.000 0.445 238 S N -0.699 114.965 115.700 -0.060 0.000 2.575 238 S HA 0.291 4.761 4.470 -0.000 0.000 0.237 238 S C 0.257 174.868 174.600 0.018 0.000 0.975 238 S CA -0.416 57.774 58.200 -0.016 0.000 0.960 238 S CB 0.143 63.328 63.200 -0.024 0.000 0.822 238 S HN 0.068 nan 8.310 nan 0.000 0.472 239 L N 2.600 123.829 121.223 0.010 0.000 2.325 239 L HA 0.692 5.032 4.340 -0.000 0.000 0.278 239 L C -0.288 176.664 176.870 0.137 0.000 1.023 239 L CA -1.138 53.755 54.840 0.088 0.000 0.811 239 L CB 1.687 43.777 42.059 0.052 0.000 1.249 239 L HN 0.335 nan 8.230 nan 0.000 0.431 240 I N 0.234 120.898 120.570 0.157 0.000 2.689 240 I HA 0.622 4.792 4.170 -0.000 0.000 0.299 240 I C -2.677 173.466 176.117 0.043 0.000 1.059 240 I CA -2.634 58.729 61.300 0.104 0.000 1.055 240 I CB 2.158 40.170 38.000 0.019 0.000 1.243 240 I HN 0.258 nan 8.210 nan 0.000 0.425 241 P HA 0.266 nan 4.420 nan 0.000 0.275 241 P C -0.806 176.278 177.300 -0.359 0.000 1.227 241 P CA 0.047 62.928 63.100 -0.364 0.000 0.781 241 P CB 0.383 31.923 31.700 -0.266 0.000 0.906 242 F N 1.012 120.778 119.950 -0.306 0.000 2.545 242 F HA 0.163 4.690 4.527 -0.000 0.000 0.348 242 F C 0.857 176.550 175.800 -0.179 0.000 1.163 242 F CA 0.746 58.615 58.000 -0.218 0.000 1.331 242 F CB 0.467 39.346 39.000 -0.202 0.000 1.138 242 F HN -0.014 nan 8.300 nan 0.000 0.602 243 V N 3.035 122.994 119.914 0.075 0.000 2.462 243 V HA 0.183 4.303 4.120 -0.000 0.000 0.288 243 V C -0.363 175.747 176.094 0.027 0.000 1.020 243 V CA -0.944 61.365 62.300 0.015 0.000 0.857 243 V CB 1.218 33.019 31.823 -0.037 0.000 1.013 243 V HN 0.685 nan 8.190 nan 0.000 0.431 244 Q N 4.081 123.889 119.800 0.014 0.000 2.313 244 Q HA 0.603 4.943 4.340 -0.000 0.000 0.266 244 Q C -1.265 174.716 176.000 -0.030 0.000 0.989 244 Q CA 0.034 55.823 55.803 -0.023 0.000 0.890 244 Q CB 1.008 29.712 28.738 -0.056 0.000 1.200 244 Q HN 0.673 nan 8.270 nan 0.000 0.396 245 L N 4.869 126.071 121.223 -0.035 0.000 2.333 245 L HA 0.604 4.944 4.340 -0.000 0.000 0.263 245 L C -2.229 174.620 176.870 -0.036 0.000 1.014 245 L CA -2.599 52.224 54.840 -0.030 0.000 0.820 245 L CB 2.002 44.050 42.059 -0.019 0.000 1.352 245 L HN 0.617 nan 8.230 nan 0.000 0.421 246 P HA 0.132 nan 4.420 nan 0.000 0.271 246 P C -2.545 174.745 177.300 -0.017 0.000 1.218 246 P CA -0.983 62.100 63.100 -0.028 0.000 0.780 246 P CB -0.166 31.523 31.700 -0.019 0.000 0.901 247 P HA 0.016 nan 4.420 nan 0.000 0.271 247 P C -0.276 177.031 177.300 0.012 0.000 1.220 247 P CA 0.084 63.182 63.100 -0.004 0.000 0.768 247 P CB 0.486 32.182 31.700 -0.006 0.000 0.848 248 S N 2.023 117.737 115.700 0.024 0.000 2.601 248 S HA 0.126 4.596 4.470 -0.000 0.000 0.271 248 S C 0.967 175.590 174.600 0.039 0.000 1.305 248 S CA -0.433 57.785 58.200 0.030 0.000 1.022 248 S CB 0.503 63.723 63.200 0.034 0.000 0.940 248 S HN 0.340 nan 8.310 nan 0.000 0.525 249 D N 2.192 122.612 120.400 0.033 0.000 2.160 249 D HA -0.188 4.451 4.640 -0.000 0.000 0.189 249 D C 2.340 178.666 176.300 0.044 0.000 1.003 249 D CA 2.299 56.320 54.000 0.035 0.000 0.846 249 D CB -0.989 39.827 40.800 0.027 0.000 0.949 249 D HN 0.782 nan 8.370 nan 0.000 0.446 250 S N 0.269 115.995 115.700 0.043 0.000 2.383 250 S HA -0.122 4.348 4.470 -0.000 0.000 0.229 250 S C 2.274 176.913 174.600 0.066 0.000 1.030 250 S CA 1.150 59.378 58.200 0.046 0.000 1.002 250 S CB -0.658 62.565 63.200 0.039 0.000 0.829 250 S HN 0.140 nan 8.310 nan 0.000 0.467 251 V N 0.777 120.744 119.914 0.088 0.000 2.649 251 V HA -0.074 4.046 4.120 -0.000 0.000 0.248 251 V C 2.712 178.920 176.094 0.190 0.000 1.054 251 V CA 0.979 63.366 62.300 0.145 0.000 1.073 251 V CB -1.004 30.913 31.823 0.157 0.000 0.699 251 V HN 0.626 nan 8.190 nan 0.000 0.463 252 C N 0.097 119.470 119.300 0.122 0.000 2.413 252 C HA -0.182 4.277 4.460 -0.000 0.000 0.277 252 C C 2.748 177.812 174.990 0.123 0.000 1.265 252 C CA 1.668 60.755 59.018 0.114 0.000 1.752 252 C CB -0.725 27.056 27.740 0.067 0.000 1.998 252 C HN 0.687 nan 8.230 nan 0.000 0.489 253 E N 0.624 120.878 120.200 0.089 0.000 2.107 253 E HA -0.204 4.146 4.350 -0.000 0.000 0.191 253 E C 2.124 178.755 176.600 0.051 0.000 0.982 253 E CA 0.826 57.263 56.400 0.061 0.000 0.809 253 E CB -0.203 29.520 29.700 0.039 0.000 0.756 253 E HN 0.665 nan 8.360 nan 0.000 0.459 254 E N -0.678 119.556 120.200 0.057 0.000 2.130 254 E HA -0.222 4.127 4.350 -0.000 0.000 0.196 254 E C 1.059 177.575 176.600 -0.140 0.000 0.998 254 E CA 1.316 57.696 56.400 -0.034 0.000 0.806 254 E CB -0.021 29.671 29.700 -0.014 0.000 0.738 254 E HN 0.402 nan 8.360 nan 0.000 0.459 255 Y N -1.151 119.158 120.300 0.016 0.000 2.457 255 Y HA 0.267 4.817 4.550 -0.000 0.000 0.263 255 Y C 1.111 177.020 175.900 0.016 0.000 1.164 255 Y CA 0.411 58.520 58.100 0.016 0.000 1.274 255 Y CB 1.391 39.861 38.460 0.018 0.000 1.097 255 Y HN 0.160 nan 8.280 nan 0.000 0.523 256 G N 1.306 110.181 108.800 0.125 0.000 2.256 256 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.272 256 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.272 256 G C -0.381 174.573 174.900 0.090 0.000 1.076 256 G CA -0.094 45.055 45.100 0.082 0.000 0.882 256 G HN 0.239 nan 8.290 nan 0.000 0.497 257 L N 0.419 121.703 121.223 0.100 0.000 2.334 257 L HA 0.775 5.115 4.340 -0.000 0.000 0.272 257 L C 0.867 177.770 176.870 0.055 0.000 1.020 257 L CA -0.497 54.390 54.840 0.077 0.000 0.812 257 L CB 1.982 44.089 42.059 0.080 0.000 1.264 257 L HN 0.451 nan 8.230 nan 0.000 0.439 258 S N -1.035 114.691 115.700 0.042 0.000 2.607 258 S HA 0.244 4.714 4.470 -0.000 0.000 0.303 258 S C 0.709 175.327 174.600 0.030 0.000 1.086 258 S CA -0.873 57.347 58.200 0.033 0.000 0.995 258 S CB 1.517 64.732 63.200 0.026 0.000 1.084 258 S HN 0.677 nan 8.310 nan 0.000 0.507 259 C N 1.765 121.080 119.300 0.025 0.000 2.396 259 C HA -0.140 4.320 4.460 -0.000 0.000 0.277 259 C C 3.102 178.106 174.990 0.024 0.000 1.231 259 C CA 1.744 60.776 59.018 0.022 0.000 1.775 259 C CB -1.798 25.953 27.740 0.018 0.000 2.036 259 C HN 1.024 nan 8.230 nan 0.000 0.484 260 S N 0.973 116.686 115.700 0.022 0.000 2.356 260 S HA -0.218 4.252 4.470 -0.000 0.000 0.223 260 S C 1.326 175.942 174.600 0.027 0.000 1.032 260 S CA 1.925 60.138 58.200 0.021 0.000 1.005 260 S CB -0.598 62.610 63.200 0.013 0.000 0.867 260 S HN 0.560 nan 8.310 nan 0.000 0.449 261 D N 2.283 122.700 120.400 0.027 0.000 2.144 261 D HA 0.097 4.736 4.640 -0.000 0.000 0.199 261 D C 1.818 178.151 176.300 0.055 0.000 0.984 261 D CA 1.342 55.362 54.000 0.033 0.000 0.834 261 D CB -0.387 40.434 40.800 0.034 0.000 0.955 261 D HN 0.537 nan 8.370 nan 0.000 0.465 262 A N -0.452 122.396 122.820 0.046 0.000 2.278 262 A HA 0.120 4.439 4.320 -0.000 0.000 0.212 262 A C 1.672 179.275 177.584 0.031 0.000 1.213 262 A CA 0.071 52.134 52.037 0.042 0.000 0.840 262 A CB -0.231 18.787 19.000 0.029 0.000 0.866 262 A HN 0.230 nan 8.150 nan 0.000 0.489 263 L N -1.897 119.352 121.223 0.044 0.000 2.354 263 L HA 0.176 4.516 4.340 -0.000 0.000 0.212 263 L C 1.865 178.750 176.870 0.025 0.000 1.091 263 L CA 1.475 56.331 54.840 0.027 0.000 0.828 263 L CB -0.410 41.669 42.059 0.033 0.000 0.973 263 L HN 0.545 nan 8.230 nan 0.000 0.461 264 H N -0.193 118.855 119.070 -0.037 0.000 2.561 264 H HA 0.024 4.580 4.556 -0.000 0.000 0.278 264 H C 0.583 175.856 175.328 -0.091 0.000 1.014 264 H CA -0.040 55.975 56.048 -0.055 0.000 1.211 264 H CB -0.361 29.368 29.762 -0.054 0.000 1.365 264 H HN 0.285 nan 8.280 nan 0.000 0.594 265 N N 1.053 119.708 118.700 -0.074 0.000 2.160 265 N HA -0.143 4.597 4.740 -0.000 0.000 0.283 265 N C 0.312 175.676 175.510 -0.243 0.000 1.363 265 N CA 0.555 53.527 53.050 -0.130 0.000 0.848 265 N CB 0.018 38.458 38.487 -0.078 0.000 1.127 265 N HN 0.521 nan 8.380 nan 0.000 0.493 266 L N 2.992 124.002 121.223 -0.354 0.000 2.858 266 L HA 0.275 4.615 4.340 -0.000 0.000 0.251 266 L C -0.150 176.592 176.870 -0.214 0.000 1.149 266 L CA -0.366 54.303 54.840 -0.285 0.000 0.955 266 L CB 0.089 41.952 42.059 -0.326 0.000 1.289 266 L HN 0.327 nan 8.230 nan 0.000 0.542 267 F N 0.146 120.030 119.950 -0.110 0.000 2.504 267 F HA 0.157 4.684 4.527 -0.000 0.000 0.369 267 F C -0.141 175.511 175.800 -0.247 0.000 1.082 267 F CA 0.064 58.006 58.000 -0.097 0.000 1.216 267 F CB 0.010 38.942 39.000 -0.113 0.000 1.108 267 F HN -0.142 nan 8.300 nan 0.000 0.554 268 Y N 4.208 124.588 120.300 0.133 0.000 2.376 268 Y HA 0.497 5.047 4.550 -0.000 0.000 0.326 268 Y C -0.109 175.781 175.900 -0.016 0.000 0.970 268 Y CA -0.639 57.479 58.100 0.031 0.000 1.248 268 Y CB 1.024 39.485 38.460 0.002 0.000 1.117 268 Y HN 0.355 nan 8.280 nan 0.000 0.476 269 I N 3.715 124.284 120.570 -0.001 0.000 2.392 269 I HA 0.584 4.753 4.170 -0.000 0.000 0.295 269 I C -0.278 175.750 176.117 -0.149 0.000 0.985 269 I CA -0.344 60.867 61.300 -0.148 0.000 1.221 269 I CB 1.544 39.350 38.000 -0.322 0.000 1.366 269 I HN 0.615 nan 8.210 nan 0.000 0.467 270 S N 3.419 119.006 115.700 -0.189 0.000 2.596 270 S HA 0.992 5.461 4.470 -0.000 0.000 0.270 270 S C -0.489 174.076 174.600 -0.057 0.000 1.155 270 S CA -0.254 57.890 58.200 -0.094 0.000 0.827 270 S CB 2.349 65.517 63.200 -0.054 0.000 1.130 270 S HN 1.175 nan 8.310 nan 0.000 0.467 271 G N 0.166 108.976 108.800 0.016 0.000 2.332 271 G HA2 0.386 4.346 3.960 -0.000 0.000 0.265 271 G HA3 0.386 4.346 3.960 -0.000 0.000 0.265 271 G C -2.144 172.591 174.900 -0.276 0.000 1.329 271 G CA -0.741 44.393 45.100 0.057 0.000 0.949 271 G HN 0.911 nan 8.290 nan 0.000 0.476 272 F N -0.352 119.727 119.950 0.216 0.000 2.613 272 F HA 0.877 5.403 4.527 -0.000 0.000 0.310 272 F C 0.115 175.895 175.800 -0.033 0.000 1.085 272 F CA -0.727 57.295 58.000 0.037 0.000 0.945 272 F CB 2.510 41.602 39.000 0.154 0.000 1.298 272 F HN 0.588 nan 8.300 nan 0.000 0.455 273 I N -0.024 120.572 120.570 0.045 0.000 3.004 273 I HA 0.436 4.605 4.170 -0.000 0.000 0.305 273 I C -0.930 175.257 176.117 0.115 0.000 1.312 273 I CA -0.429 60.880 61.300 0.016 0.000 0.992 273 I CB 2.263 40.115 38.000 -0.246 0.000 1.282 273 I HN 0.520 nan 8.210 nan 0.000 0.449 274 S N 3.718 119.484 115.700 0.110 0.000 2.576 274 S HA 0.232 4.702 4.470 -0.000 0.000 0.276 274 S C -0.376 174.373 174.600 0.248 0.000 1.339 274 S CA -0.558 57.715 58.200 0.121 0.000 1.039 274 S CB 0.835 64.043 63.200 0.014 0.000 0.902 274 S HN 0.472 nan 8.310 nan 0.000 0.516 275 Q N 0.274 120.204 119.800 0.216 0.000 2.443 275 Q HA 0.100 4.440 4.340 -0.000 0.000 0.232 275 Q C 1.204 177.321 176.000 0.195 0.000 1.026 275 Q CA -0.362 55.578 55.803 0.228 0.000 0.924 275 Q CB 0.214 29.029 28.738 0.129 0.000 1.256 275 Q HN 0.969 nan 8.270 nan 0.000 0.519 276 C N -2.351 116.903 119.300 -0.076 0.000 2.594 276 C HA 0.085 4.545 4.460 -0.000 0.000 0.265 276 C C 0.935 175.835 174.990 -0.150 0.000 1.351 276 C CA -0.701 58.069 59.018 -0.414 0.000 1.744 276 C CB -1.068 26.192 27.740 -0.799 0.000 1.890 276 C HN 0.632 nan 8.230 nan 0.000 0.551 277 T N 2.051 116.596 114.554 -0.014 0.000 2.867 277 T HA -0.079 4.271 4.350 -0.000 0.000 0.290 277 T C 0.135 174.874 174.700 0.066 0.000 1.025 277 T CA 0.851 62.975 62.100 0.041 0.000 1.146 277 T CB -0.258 68.644 68.868 0.055 0.000 1.024 277 T HN 0.710 nan 8.240 nan 0.000 0.519 278 H N 1.604 120.665 119.070 -0.014 0.000 3.152 278 H HA 0.206 4.762 4.556 -0.000 0.000 0.319 278 H C 1.587 176.929 175.328 0.024 0.000 0.994 278 H CA 1.500 57.548 56.048 -0.001 0.000 1.370 278 H CB -0.334 29.430 29.762 0.003 0.000 1.322 278 H HN 0.911 nan 8.280 nan 0.000 0.590 279 G N 2.871 111.392 108.800 -0.466 0.000 2.196 279 G HA2 -0.337 3.622 3.960 -0.000 0.000 0.268 279 G HA3 -0.337 3.622 3.960 -0.000 0.000 0.268 279 G C 1.199 176.039 174.900 -0.101 0.000 0.975 279 G CA 0.735 45.634 45.100 -0.335 0.000 0.648 279 G HN 0.595 nan 8.290 nan 0.000 0.538 280 V N 0.749 120.646 119.914 -0.029 0.000 3.041 280 V HA 0.289 4.409 4.120 -0.000 0.000 0.260 280 V C 2.226 178.359 176.094 0.064 0.000 1.105 280 V CA 1.512 63.826 62.300 0.024 0.000 1.125 280 V CB -0.352 31.500 31.823 0.049 0.000 0.730 280 V HN 0.750 nan 8.190 nan 0.000 0.479 281 G N -0.192 108.677 108.800 0.114 0.000 2.510 281 G HA2 0.380 4.340 3.960 -0.000 0.000 0.280 281 G HA3 0.380 4.340 3.960 -0.000 0.000 0.280 281 G C -0.052 174.908 174.900 0.099 0.000 1.386 281 G CA -0.588 44.597 45.100 0.142 0.000 1.047 281 G HN 0.139 nan 8.290 nan 0.000 0.527 282 R N -1.049 119.521 120.500 0.116 0.000 2.608 282 R HA 0.381 4.721 4.340 -0.000 0.000 0.255 282 R C 1.096 177.505 176.300 0.182 0.000 1.086 282 R CA -0.089 56.076 56.100 0.108 0.000 1.125 282 R CB 1.106 31.457 30.300 0.085 0.000 1.193 282 R HN 0.584 nan 8.270 nan 0.000 0.553 283 S N -1.927 113.847 115.700 0.122 0.000 2.540 283 S HA 0.116 4.586 4.470 -0.000 0.000 0.218 283 S C 0.658 175.265 174.600 0.012 0.000 0.977 283 S CA -0.148 58.142 58.200 0.150 0.000 0.918 283 S CB 0.310 63.560 63.200 0.083 0.000 0.806 283 S HN 0.499 nan 8.310 nan 0.000 0.496 284 S N 0.458 116.084 115.700 -0.124 0.000 2.752 284 S HA 0.472 4.942 4.470 -0.000 0.000 0.284 284 S C 0.433 174.802 174.600 -0.384 0.000 1.189 284 S CA 0.159 58.103 58.200 -0.427 0.000 0.835 284 S CB 0.840 63.899 63.200 -0.235 0.000 1.192 284 S HN 0.385 nan 8.310 nan 0.000 0.506 285 T N 0.021 114.341 114.554 -0.389 0.000 3.194 285 T HA 0.088 4.438 4.350 -0.000 0.000 0.251 285 T C 1.069 175.670 174.700 -0.165 0.000 1.132 285 T CA 0.876 62.845 62.100 -0.219 0.000 1.028 285 T CB -0.733 68.018 68.868 -0.196 0.000 0.976 285 T HN 0.651 nan 8.240 nan 0.000 0.535 286 D N 2.848 123.167 120.400 -0.136 0.000 2.116 286 D HA -0.215 4.424 4.640 -0.000 0.000 0.193 286 D C 1.067 177.298 176.300 -0.117 0.000 0.998 286 D CA 1.199 55.141 54.000 -0.096 0.000 0.836 286 D CB -0.403 40.376 40.800 -0.036 0.000 0.951 286 D HN 0.403 nan 8.370 nan 0.000 0.449 287 R N 0.427 120.879 120.500 -0.080 0.000 3.256 287 R HA 0.341 4.681 4.340 -0.000 0.000 0.263 287 R C -0.390 175.756 176.300 -0.258 0.000 1.388 287 R CA -0.174 55.892 56.100 -0.056 0.000 1.580 287 R CB 0.649 31.054 30.300 0.175 0.000 1.255 287 R HN 0.238 nan 8.270 nan 0.000 0.640 288 Q N 2.133 121.628 119.800 -0.508 0.000 2.347 288 Q HA 0.323 4.662 4.340 -0.000 0.000 0.265 288 Q C -1.209 174.528 176.000 -0.438 0.000 1.024 288 Q CA -0.494 55.137 55.803 -0.285 0.000 0.731 288 Q CB 1.764 30.507 28.738 0.008 0.000 1.245 288 Q HN 0.223 nan 8.270 nan 0.000 0.472 289 F N 2.210 122.112 119.950 -0.079 0.000 2.449 289 F HA 0.523 5.050 4.527 -0.000 0.000 0.342 289 F C -0.486 175.165 175.800 -0.249 0.000 1.127 289 F CA -0.767 57.166 58.000 -0.111 0.000 0.975 289 F CB 0.890 39.854 39.000 -0.060 0.000 1.146 289 F HN 0.354 nan 8.300 nan 0.000 0.444 290 F N 3.071 122.806 119.950 -0.359 0.000 2.480 290 F HA 0.703 5.230 4.527 -0.000 0.000 0.329 290 F C -0.783 174.681 175.800 -0.560 0.000 1.091 290 F CA -1.436 56.402 58.000 -0.271 0.000 0.972 290 F CB 1.514 40.410 39.000 -0.173 0.000 1.150 290 F HN 0.160 nan 8.300 nan 0.000 0.467 291 F N 3.002 123.024 119.950 0.122 0.000 2.578 291 F HA 0.587 5.114 4.527 -0.000 0.000 0.311 291 F C -0.520 175.313 175.800 0.056 0.000 1.094 291 F CA -0.931 57.110 58.000 0.068 0.000 0.923 291 F CB 1.756 40.773 39.000 0.028 0.000 1.230 291 F HN 0.157 nan 8.300 nan 0.000 0.450 292 I N 3.510 124.214 120.570 0.223 0.000 2.390 292 I HA 0.262 4.432 4.170 -0.000 0.000 0.283 292 I C -0.642 175.564 176.117 0.149 0.000 1.016 292 I CA -0.605 60.789 61.300 0.156 0.000 1.151 292 I CB 0.857 38.925 38.000 0.113 0.000 1.293 292 I HN 0.617 nan 8.210 nan 0.000 0.458 293 N N 7.374 126.153 118.700 0.131 0.000 2.671 293 N HA -0.199 4.540 4.740 -0.000 0.000 0.261 293 N C 0.259 175.832 175.510 0.104 0.000 1.053 293 N CA 0.371 53.479 53.050 0.097 0.000 0.732 293 N CB -0.484 38.053 38.487 0.083 0.000 0.887 293 N HN 0.656 nan 8.380 nan 0.000 0.546 294 R N -3.233 117.330 120.500 0.106 0.000 3.932 294 R HA -0.253 4.087 4.340 -0.000 0.000 0.318 294 R C -0.255 176.175 176.300 0.218 0.000 1.219 294 R CA 1.311 57.459 56.100 0.081 0.000 0.889 294 R CB -2.029 28.283 30.300 0.020 0.000 1.309 294 R HN 0.601 nan 8.270 nan 0.000 0.537 295 R N 1.191 121.849 120.500 0.265 0.000 2.387 295 R HA 0.383 4.723 4.340 -0.000 0.000 0.314 295 R C -2.322 174.091 176.300 0.189 0.000 0.958 295 R CA -2.043 54.185 56.100 0.215 0.000 0.846 295 R CB 1.320 31.702 30.300 0.136 0.000 1.147 295 R HN -0.158 nan 8.270 nan 0.000 0.447 296 P HA 0.020 nan 4.420 nan 0.000 0.268 296 P C -0.370 176.837 177.300 -0.155 0.000 1.204 296 P CA -0.405 62.537 63.100 -0.262 0.000 0.768 296 P CB 0.528 32.022 31.700 -0.344 0.000 0.842 297 C N 0.413 119.604 119.300 -0.182 0.000 3.259 297 C HA 0.613 5.073 4.460 -0.000 0.000 0.344 297 C C -1.365 173.547 174.990 -0.130 0.000 1.401 297 C CA -0.797 58.159 59.018 -0.104 0.000 1.219 297 C CB 1.071 28.787 27.740 -0.041 0.000 1.521 297 C HN 0.487 nan 8.230 nan 0.000 0.455 298 D N 1.762 122.080 120.400 -0.137 0.000 2.438 298 D HA 0.595 5.235 4.640 -0.000 0.000 0.257 298 D C -2.415 173.760 176.300 -0.208 0.000 1.148 298 D CA -0.630 53.239 54.000 -0.218 0.000 0.902 298 D CB 1.048 41.726 40.800 -0.203 0.000 1.062 298 D HN 0.601 nan 8.370 nan 0.000 0.518 299 P HA 0.229 nan 4.420 nan 0.000 0.284 299 P C 0.511 177.668 177.300 -0.238 0.000 1.343 299 P CA -0.401 62.593 63.100 -0.178 0.000 0.826 299 P CB 1.612 33.242 31.700 -0.116 0.000 0.956 300 A N 4.732 127.452 122.820 -0.166 0.000 1.917 300 A HA -0.239 4.081 4.320 -0.000 0.000 0.219 300 A C 2.143 179.656 177.584 -0.119 0.000 1.182 300 A CA 1.664 53.613 52.037 -0.147 0.000 0.633 300 A CB -0.688 18.258 19.000 -0.090 0.000 0.819 300 A HN 0.457 nan 8.150 nan 0.000 0.448 301 K N -0.984 119.368 120.400 -0.080 0.000 2.062 301 K HA 0.017 4.337 4.320 -0.000 0.000 0.205 301 K C 1.822 178.403 176.600 -0.033 0.000 1.051 301 K CA 1.114 57.380 56.287 -0.035 0.000 0.941 301 K CB -0.215 32.281 32.500 -0.006 0.000 0.719 301 K HN 0.239 nan 8.250 nan 0.000 0.440 302 V N 0.685 120.560 119.914 -0.065 0.000 2.626 302 V HA -0.270 3.850 4.120 -0.000 0.000 0.252 302 V C 2.263 178.369 176.094 0.020 0.000 1.067 302 V CA 1.435 63.730 62.300 -0.010 0.000 1.081 302 V CB -0.072 31.758 31.823 0.012 0.000 0.686 302 V HN 0.555 nan 8.190 nan 0.000 0.468 303 C N -0.278 118.878 119.300 -0.240 0.000 2.500 303 C HA -0.067 4.393 4.460 -0.000 0.000 0.279 303 C C 2.881 177.853 174.990 -0.029 0.000 1.288 303 C CA 1.107 59.906 59.018 -0.365 0.000 1.710 303 C CB -0.840 26.535 27.740 -0.608 0.000 2.052 303 C HN 0.572 nan 8.230 nan 0.000 0.488 304 R N -0.116 120.373 120.500 -0.019 0.000 2.083 304 R HA -0.140 4.200 4.340 -0.000 0.000 0.237 304 R C 2.098 178.466 176.300 0.112 0.000 1.137 304 R CA 1.924 58.055 56.100 0.053 0.000 0.951 304 R CB -0.561 29.759 30.300 0.033 0.000 0.851 304 R HN 0.543 nan 8.270 nan 0.000 0.434 305 L N 0.389 121.680 121.223 0.113 0.000 1.970 305 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 305 L C 2.070 179.057 176.870 0.195 0.000 1.071 305 L CA 1.683 56.614 54.840 0.150 0.000 0.751 305 L CB -0.822 41.315 42.059 0.130 0.000 0.889 305 L HN 0.010 nan 8.230 nan 0.000 0.432 306 V N 0.589 120.638 119.914 0.225 0.000 2.370 306 V HA -0.350 3.770 4.120 -0.000 0.000 0.252 306 V C 2.457 178.702 176.094 0.252 0.000 1.068 306 V CA 2.070 64.536 62.300 0.276 0.000 1.061 306 V CB -0.848 31.218 31.823 0.404 0.000 0.656 306 V HN 0.558 nan 8.190 nan 0.000 0.455 307 N N -0.549 118.286 118.700 0.225 0.000 2.220 307 N HA -0.103 4.637 4.740 -0.000 0.000 0.182 307 N C 1.927 177.582 175.510 0.241 0.000 1.023 307 N CA 1.169 54.337 53.050 0.197 0.000 0.856 307 N CB -0.122 38.521 38.487 0.261 0.000 0.997 307 N HN 0.584 nan 8.380 nan 0.000 0.429 308 E N 0.790 121.138 120.200 0.247 0.000 2.097 308 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 308 E C 1.803 178.548 176.600 0.243 0.000 1.000 308 E CA 1.136 57.674 56.400 0.230 0.000 0.804 308 E CB 0.200 29.999 29.700 0.165 0.000 0.740 308 E HN 0.018 nan 8.360 nan 0.000 0.454 309 V N -0.018 120.056 119.914 0.266 0.000 2.379 309 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 309 V C 1.986 178.309 176.094 0.383 0.000 1.044 309 V CA 1.810 64.310 62.300 0.333 0.000 1.036 309 V CB -0.623 31.409 31.823 0.348 0.000 0.664 309 V HN 0.400 nan 8.190 nan 0.000 0.453 310 Y N 0.315 120.704 120.300 0.147 0.000 2.274 310 Y HA -0.221 4.329 4.550 -0.000 0.000 0.290 310 Y C 2.597 178.409 175.900 -0.146 0.000 1.145 310 Y CA 1.708 59.728 58.100 -0.133 0.000 1.203 310 Y CB -0.240 38.086 38.460 -0.225 0.000 0.984 310 Y HN 0.343 nan 8.280 nan 0.000 0.533 311 H N -0.806 118.319 119.070 0.092 0.000 2.529 311 H HA 0.022 4.577 4.556 -0.000 0.000 0.277 311 H C 1.769 177.050 175.328 -0.078 0.000 0.999 311 H CA 1.310 57.329 56.048 -0.048 0.000 1.256 311 H CB -0.104 29.625 29.762 -0.055 0.000 1.402 311 H HN 0.465 nan 8.280 nan 0.000 0.566 312 M N -0.946 118.720 119.600 0.109 0.000 2.595 312 M HA -0.035 4.445 4.480 -0.000 0.000 0.248 312 M C 0.950 177.094 176.300 -0.259 0.000 1.119 312 M CA 0.853 56.133 55.300 -0.034 0.000 1.079 312 M CB 0.232 32.845 32.600 0.022 0.000 1.472 312 M HN 0.131 nan 8.290 nan 0.000 0.501 313 Y N -0.636 119.519 120.300 -0.240 0.000 2.583 313 Y HA 0.221 4.771 4.550 -0.000 0.000 0.270 313 Y C 1.241 176.894 175.900 -0.411 0.000 1.113 313 Y CA 0.158 58.035 58.100 -0.372 0.000 1.307 313 Y CB 0.334 38.401 38.460 -0.655 0.000 1.369 313 Y HN 0.048 nan 8.280 nan 0.000 0.506 314 N N 1.207 119.662 118.700 -0.409 0.000 2.707 314 N HA 0.159 4.899 4.740 -0.000 0.000 0.235 314 N C 0.668 176.088 175.510 -0.150 0.000 1.028 314 N CA 0.009 52.841 53.050 -0.363 0.000 0.906 314 N CB 0.615 38.699 38.487 -0.671 0.000 1.131 314 N HN 0.258 nan 8.380 nan 0.000 0.509 315 R N 0.885 121.290 120.500 -0.157 0.000 2.179 315 R HA -0.188 4.152 4.340 -0.000 0.000 0.238 315 R C 0.727 176.851 176.300 -0.292 0.000 1.119 315 R CA 1.919 57.831 56.100 -0.314 0.000 0.915 315 R CB -0.082 29.788 30.300 -0.716 0.000 0.870 315 R HN 0.644 nan 8.270 nan 0.000 0.432 316 H N -0.710 118.427 119.070 0.112 0.000 2.551 316 H HA 0.216 4.772 4.556 -0.000 0.000 0.271 316 H C 0.172 175.622 175.328 0.202 0.000 0.984 316 H CA 0.172 56.294 56.048 0.123 0.000 1.164 316 H CB 0.474 30.294 29.762 0.096 0.000 1.437 316 H HN 0.330 nan 8.280 nan 0.000 0.550 317 Q N 0.586 120.549 119.800 0.270 0.000 2.306 317 Q HA 0.331 4.671 4.340 -0.000 0.000 0.265 317 Q C -1.047 175.105 176.000 0.254 0.000 1.022 317 Q CA -0.799 55.190 55.803 0.311 0.000 0.853 317 Q CB 2.121 31.006 28.738 0.245 0.000 1.327 317 Q HN 0.134 nan 8.270 nan 0.000 0.449 318 Y N 1.516 121.908 120.300 0.154 0.000 2.376 318 Y HA 0.396 4.946 4.550 -0.000 0.000 0.325 318 Y C -2.005 173.778 175.900 -0.194 0.000 1.199 318 Y CA -2.430 55.673 58.100 0.005 0.000 1.206 318 Y CB 0.526 39.018 38.460 0.052 0.000 1.229 318 Y HN 0.452 nan 8.280 nan 0.000 0.480 319 P HA 0.202 nan 4.420 nan 0.000 0.283 319 P C -1.208 176.017 177.300 -0.125 0.000 1.278 319 P CA -0.520 62.252 63.100 -0.546 0.000 0.834 319 P CB 1.419 32.416 31.700 -1.171 0.000 1.150 320 F N 1.710 121.555 119.950 -0.176 0.000 2.410 320 F HA 0.407 4.934 4.527 -0.000 0.000 0.348 320 F C -0.953 174.838 175.800 -0.015 0.000 1.106 320 F CA 0.068 58.029 58.000 -0.065 0.000 1.163 320 F CB 0.572 39.534 39.000 -0.064 0.000 1.129 320 F HN -0.017 nan 8.300 nan 0.000 0.516 321 V N 6.716 126.311 119.914 -0.532 0.000 2.686 321 V HA 0.488 4.608 4.120 -0.000 0.000 0.306 321 V C -1.060 174.831 176.094 -0.337 0.000 1.065 321 V CA -0.856 61.242 62.300 -0.337 0.000 0.894 321 V CB 1.753 33.453 31.823 -0.206 0.000 1.004 321 V HN 0.590 nan 8.190 nan 0.000 0.424 322 V N 5.937 125.788 119.914 -0.104 0.000 2.445 322 V HA 0.504 4.624 4.120 -0.000 0.000 0.283 322 V C -1.067 175.107 176.094 0.134 0.000 1.014 322 V CA -0.299 62.065 62.300 0.106 0.000 0.852 322 V CB 1.609 33.568 31.823 0.226 0.000 1.021 322 V HN 0.643 nan 8.190 nan 0.000 0.435 323 L N 4.996 126.199 121.223 -0.034 0.000 2.406 323 L HA 0.670 5.010 4.340 -0.000 0.000 0.272 323 L C -0.614 176.267 176.870 0.020 0.000 0.980 323 L CA -0.166 54.583 54.840 -0.153 0.000 0.831 323 L CB 1.989 43.741 42.059 -0.512 0.000 1.253 323 L HN 0.658 nan 8.230 nan 0.000 0.406 324 N N 4.675 123.372 118.700 -0.005 0.000 2.392 324 N HA 0.549 5.289 4.740 -0.000 0.000 0.283 324 N C -1.368 174.139 175.510 -0.004 0.000 1.003 324 N CA -0.344 52.752 53.050 0.076 0.000 0.892 324 N CB 1.139 39.617 38.487 -0.016 0.000 1.193 324 N HN 0.584 nan 8.380 nan 0.000 0.487 325 I N 2.165 122.768 120.570 0.055 0.000 2.306 325 I HA 0.198 4.368 4.170 -0.000 0.000 0.288 325 I C 0.033 176.226 176.117 0.127 0.000 1.036 325 I CA -0.564 60.767 61.300 0.052 0.000 1.221 325 I CB 1.268 39.286 38.000 0.029 0.000 1.385 325 I HN 0.449 nan 8.210 nan 0.000 0.472 326 S N 5.997 121.787 115.700 0.149 0.000 2.422 326 S HA 0.632 5.102 4.470 -0.000 0.000 0.298 326 S C -0.681 174.050 174.600 0.219 0.000 1.118 326 S CA -0.408 57.883 58.200 0.152 0.000 1.083 326 S CB 0.847 64.112 63.200 0.108 0.000 0.971 326 S HN 0.427 nan 8.310 nan 0.000 0.478 327 V N 4.342 124.352 119.914 0.160 0.000 3.147 327 V HA 0.439 4.559 4.120 -0.000 0.000 0.306 327 V C -1.050 175.063 176.094 0.031 0.000 1.209 327 V CA -0.946 61.412 62.300 0.097 0.000 1.023 327 V CB 2.273 34.172 31.823 0.126 0.000 1.059 327 V HN 0.864 nan 8.190 nan 0.000 0.435 328 D N 1.858 122.243 120.400 -0.025 0.000 2.362 328 D HA 0.113 4.753 4.640 -0.000 0.000 0.238 328 D C 1.358 177.658 176.300 -0.000 0.000 1.212 328 D CA 0.955 54.944 54.000 -0.020 0.000 0.902 328 D CB 1.435 42.211 40.800 -0.040 0.000 1.180 328 D HN 0.801 nan 8.370 nan 0.000 0.445 329 S N 0.172 115.874 115.700 0.004 0.000 2.537 329 S HA -0.144 4.326 4.470 -0.000 0.000 0.240 329 S C 0.994 175.603 174.600 0.014 0.000 0.981 329 S CA 0.736 58.945 58.200 0.014 0.000 0.948 329 S CB -0.164 63.043 63.200 0.011 0.000 0.759 329 S HN 0.477 nan 8.310 nan 0.000 0.531 330 E N -0.423 119.783 120.200 0.009 0.000 2.445 330 E HA 0.139 4.489 4.350 -0.000 0.000 0.189 330 E C 0.196 176.805 176.600 0.015 0.000 1.069 330 E CA 0.044 56.453 56.400 0.015 0.000 0.871 330 E CB -0.004 29.711 29.700 0.025 0.000 0.991 330 E HN 0.649 nan 8.360 nan 0.000 0.481 331 C N -0.437 118.874 119.300 0.019 0.000 3.931 331 C HA 0.188 4.648 4.460 -0.000 0.000 0.378 331 C C 0.599 175.626 174.990 0.062 0.000 1.554 331 C CA -0.415 58.625 59.018 0.036 0.000 1.926 331 C CB 0.458 28.210 27.740 0.020 0.000 2.837 331 C HN -0.029 nan 8.230 nan 0.000 0.701 332 V N 2.552 122.498 119.914 0.054 0.000 2.304 332 V HA 0.335 4.454 4.120 -0.000 0.000 0.269 332 V C -0.437 175.683 176.094 0.042 0.000 1.036 332 V CA 0.381 62.715 62.300 0.058 0.000 0.840 332 V CB 0.608 32.468 31.823 0.062 0.000 1.036 332 V HN 0.358 nan 8.190 nan 0.000 0.466 344 L N 7.386 128.622 121.223 0.021 0.000 2.265 344 L HA 0.512 4.852 4.340 -0.000 0.000 0.288 344 L C -0.149 176.750 176.870 0.049 0.000 1.058 344 L CA -0.571 54.285 54.840 0.027 0.000 0.809 344 L CB 1.241 43.313 42.059 0.021 0.000 1.179 344 L HN 0.485 nan 8.230 nan 0.000 0.429 345 L N 2.610 123.872 121.223 0.065 0.000 2.454 345 L HA 0.249 4.589 4.340 -0.000 0.000 0.256 345 L C 1.108 178.039 176.870 0.102 0.000 1.136 345 L CA -0.240 54.668 54.840 0.113 0.000 0.804 345 L CB 1.100 43.255 42.059 0.160 0.000 1.181 345 L HN 0.685 nan 8.230 nan 0.000 0.469 346 Q N 0.097 119.970 119.800 0.122 0.000 2.084 346 Q HA -0.009 4.331 4.340 -0.000 0.000 0.194 346 Q C -0.190 175.869 176.000 0.099 0.000 0.969 346 Q CA 0.945 56.801 55.803 0.087 0.000 0.829 346 Q CB 0.405 29.179 28.738 0.059 0.000 0.904 346 Q HN 0.572 nan 8.270 nan 0.000 0.464 347 E N 0.786 121.077 120.200 0.151 0.000 2.490 347 E HA 0.076 4.426 4.350 -0.000 0.000 0.232 347 E C -0.253 176.469 176.600 0.202 0.000 1.091 347 E CA -0.129 56.358 56.400 0.145 0.000 1.050 347 E CB 0.809 30.589 29.700 0.134 0.000 1.342 347 E HN 0.268 nan 8.360 nan 0.000 0.454 348 E N 2.735 123.000 120.200 0.108 0.000 2.160 348 E HA -0.227 4.123 4.350 -0.000 0.000 0.195 348 E C 1.172 177.718 176.600 -0.091 0.000 0.991 348 E CA 1.193 57.597 56.400 0.008 0.000 0.810 348 E CB 0.267 29.961 29.700 -0.010 0.000 0.742 348 E HN 0.273 nan 8.360 nan 0.000 0.466 349 K N 0.241 120.612 120.400 -0.048 0.000 2.020 349 K HA -0.222 4.097 4.320 -0.000 0.000 0.212 349 K C 2.252 178.705 176.600 -0.245 0.000 1.050 349 K CA 1.412 57.600 56.287 -0.166 0.000 0.929 349 K CB -0.458 32.040 32.500 -0.003 0.000 0.714 349 K HN 0.181 nan 8.250 nan 0.000 0.443 350 L N 1.722 122.926 121.223 -0.031 0.000 2.079 350 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 350 L C 2.164 178.991 176.870 -0.072 0.000 1.081 350 L CA 1.336 56.191 54.840 0.025 0.000 0.752 350 L CB -0.635 41.548 42.059 0.207 0.000 0.896 350 L HN 0.133 nan 8.230 nan 0.000 0.433 351 L N -0.850 120.222 121.223 -0.251 0.000 2.017 351 L HA -0.191 4.149 4.340 -0.000 0.000 0.208 351 L C 2.336 178.944 176.870 -0.437 0.000 1.073 351 L CA 1.874 56.294 54.840 -0.700 0.000 0.745 351 L CB -0.700 40.563 42.059 -1.325 0.000 0.894 351 L HN 0.306 nan 8.230 nan 0.000 0.432 352 L N -0.602 120.366 121.223 -0.426 0.000 2.046 352 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 352 L C 2.681 179.325 176.870 -0.376 0.000 1.077 352 L CA 1.196 55.795 54.840 -0.402 0.000 0.747 352 L CB -1.019 40.698 42.059 -0.570 0.000 0.896 352 L HN 0.401 nan 8.230 nan 0.000 0.432 353 A N -0.303 122.244 122.820 -0.456 0.000 1.902 353 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 353 A C 2.342 179.863 177.584 -0.105 0.000 1.181 353 A CA 1.778 53.682 52.037 -0.221 0.000 0.623 353 A CB -0.770 18.137 19.000 -0.156 0.000 0.818 353 A HN 0.190 nan 8.150 nan 0.000 0.443 354 V N -0.414 119.423 119.914 -0.129 0.000 2.307 354 V HA -0.204 3.915 4.120 -0.000 0.000 0.245 354 V C 2.465 178.500 176.094 -0.099 0.000 1.045 354 V CA 1.854 64.096 62.300 -0.096 0.000 1.024 354 V CB -0.778 30.985 31.823 -0.100 0.000 0.651 354 V HN 0.540 nan 8.190 nan 0.000 0.449 355 L N 0.449 121.587 121.223 -0.141 0.000 1.989 355 L HA -0.203 4.137 4.340 -0.000 0.000 0.211 355 L C 2.470 179.328 176.870 -0.020 0.000 1.071 355 L CA 2.310 57.085 54.840 -0.108 0.000 0.749 355 L CB -0.888 41.092 42.059 -0.133 0.000 0.890 355 L HN 0.302 nan 8.230 nan 0.000 0.431 356 K N -1.629 118.774 120.400 0.005 0.000 2.026 356 K HA -0.168 4.152 4.320 -0.000 0.000 0.208 356 K C 1.856 178.490 176.600 0.057 0.000 1.048 356 K CA 1.948 58.278 56.287 0.072 0.000 0.929 356 K CB -0.206 32.370 32.500 0.127 0.000 0.713 356 K HN 0.388 nan 8.250 nan 0.000 0.439 357 T N 0.528 115.103 114.554 0.034 0.000 2.720 357 T HA -0.117 4.233 4.350 -0.000 0.000 0.268 357 T C 1.992 176.694 174.700 0.004 0.000 1.037 357 T CA 1.688 63.805 62.100 0.028 0.000 1.144 357 T CB -0.221 68.656 68.868 0.015 0.000 0.864 357 T HN 0.235 nan 8.240 nan 0.000 0.444 358 S N 1.340 117.032 115.700 -0.014 0.000 2.348 358 S HA 0.029 4.499 4.470 -0.000 0.000 0.221 358 S C 2.068 176.613 174.600 -0.091 0.000 1.033 358 S CA 0.895 59.079 58.200 -0.027 0.000 1.010 358 S CB -0.520 62.682 63.200 0.003 0.000 0.891 358 S HN 0.349 nan 8.310 nan 0.000 0.442 359 L N 1.134 122.293 121.223 -0.107 0.000 2.012 359 L HA -0.143 4.197 4.340 -0.000 0.000 0.210 359 L C 2.277 178.888 176.870 -0.432 0.000 1.073 359 L CA 1.262 55.879 54.840 -0.372 0.000 0.748 359 L CB -0.661 41.297 42.059 -0.168 0.000 0.891 359 L HN 0.300 nan 8.230 nan 0.000 0.431 360 I N -0.150 120.374 120.570 -0.076 0.000 2.208 360 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 360 I C 2.586 178.718 176.117 0.026 0.000 1.097 360 I CA 1.562 62.912 61.300 0.083 0.000 1.363 360 I CB -0.897 37.196 38.000 0.155 0.000 1.051 360 I HN 0.320 nan 8.210 nan 0.000 0.413 361 G N 0.491 109.273 108.800 -0.031 0.000 2.448 361 G HA2 -0.193 3.766 3.960 -0.000 0.000 0.219 361 G HA3 -0.193 3.766 3.960 -0.000 0.000 0.219 361 G C 1.695 176.554 174.900 -0.068 0.000 1.127 361 G CA 0.457 45.542 45.100 -0.025 0.000 0.766 361 G HN 0.275 nan 8.290 nan 0.000 0.552 362 M N -0.577 118.904 119.600 -0.198 0.000 2.287 362 M HA 0.209 4.689 4.480 -0.000 0.000 0.266 362 M C 2.060 178.278 176.300 -0.136 0.000 1.079 362 M CA 0.789 55.941 55.300 -0.245 0.000 1.146 362 M CB -0.143 32.178 32.600 -0.465 0.000 1.374 362 M HN 0.108 nan 8.290 nan 0.000 0.435 363 F N 0.765 120.603 119.950 -0.186 0.000 2.234 363 F HA 0.019 4.546 4.527 -0.000 0.000 0.296 363 F C 1.252 177.027 175.800 -0.042 0.000 1.089 363 F CA -0.163 57.640 58.000 -0.329 0.000 1.343 363 F CB -1.052 37.283 39.000 -1.108 0.000 1.040 363 F HN 0.037 nan 8.300 nan 0.000 0.498 364 D N 0.000 120.553 120.400 0.256 0.000 6.856 364 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 364 D CA 0.000 54.149 54.000 0.248 0.000 0.868 364 D CB 0.000 40.899 40.800 0.165 0.000 0.688 364 D HN 0.000 nan 8.370 nan 0.000 0.683