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 3doh_1_B DATA FIRST_RESID 21 DATA SEQUENCE VKSVTLITKV FPEGEKVCAV VIEYPVEIDG QKLSPDQFSV KVKTGDTYSS DATA SEQUENCE RTITKVYANN SGGLSFSIFN NRGKYVVLEL STEDLHSNTI VFGPNFLNTR DATA SEQUENCE MKLDYIVSQL VPIFDVDGNE VEPFTSKQTD EKHLIIDDFL AFTFKDPETG DATA SEQUENCE VEIPYRLFVP KDVNPDRKYP LVVFLHGAGE RGTDNYLQVA GNRGAVVWAQ DATA SEQUENCE PRYQVVHPCF VLAPQCPPNS SWSTLFTDXX NPFNPEKPLL AVIKIIRKLL DATA SEQUENCE DEYNIDENRI YITGLSMGGY GTWTAIMEFP ELFAAAIPIC GGGDVSKVER DATA SEQUENCE IKDIPIWVFH AEDDPVVPVE NSRVLVKKLA EIGGKVRYTE YEKGFMEKHG DATA SEQUENCE WDPHGSWIPT YENQEAIEWL FEQSR 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 21 V HA 0.000 nan 4.120 nan 0.000 0.244 21 V C 0.000 175.890 176.094 -0.340 0.000 1.182 21 V CA 0.000 62.000 62.300 -0.501 0.000 1.235 21 V CB 0.000 31.263 31.823 -0.933 0.000 1.184 22 K N 2.104 122.340 120.400 -0.274 0.000 2.147 22 K HA 0.128 4.448 4.320 -0.000 0.000 0.205 22 K C 0.683 177.195 176.600 -0.148 0.000 1.049 22 K CA 1.738 57.917 56.287 -0.180 0.000 0.936 22 K CB -0.039 32.365 32.500 -0.160 0.000 0.722 22 K HN 1.184 nan 8.250 nan 0.000 0.446 23 S N -1.173 114.426 115.700 -0.169 0.000 2.633 23 S HA 0.344 4.814 4.470 -0.000 0.000 0.271 23 S C -1.134 173.417 174.600 -0.083 0.000 1.112 23 S CA -1.093 57.050 58.200 -0.095 0.000 0.828 23 S CB 1.628 64.808 63.200 -0.033 0.000 1.086 23 S HN 0.040 nan 8.310 nan 0.000 0.461 24 V N -0.706 119.194 119.914 -0.023 0.000 2.524 24 V HA 0.875 4.995 4.120 -0.000 0.000 0.297 24 V C -1.077 175.029 176.094 0.019 0.000 1.035 24 V CA -0.135 62.180 62.300 0.026 0.000 0.867 24 V CB 1.313 33.192 31.823 0.092 0.000 1.004 24 V HN 1.059 nan 8.190 nan 0.000 0.426 25 T N 7.692 122.255 114.554 0.014 0.000 2.791 25 T HA 0.587 4.936 4.350 -0.000 0.000 0.288 25 T C -0.174 174.495 174.700 -0.051 0.000 0.999 25 T CA -0.356 61.734 62.100 -0.018 0.000 0.952 25 T CB 1.112 69.981 68.868 0.003 0.000 0.938 25 T HN 0.733 nan 8.240 nan 0.000 0.444 26 L N 4.050 125.214 121.223 -0.100 0.000 2.367 26 L HA 0.399 4.739 4.340 -0.000 0.000 0.275 26 L C -0.085 176.713 176.870 -0.120 0.000 1.129 26 L CA -0.826 53.921 54.840 -0.155 0.000 0.839 26 L CB 0.269 42.157 42.059 -0.285 0.000 1.133 26 L HN 0.380 nan 8.230 nan 0.000 0.453 27 I N 2.131 122.652 120.570 -0.083 0.000 2.359 27 I HA 0.315 4.485 4.170 -0.000 0.000 0.294 27 I C 0.524 176.642 176.117 0.002 0.000 0.987 27 I CA -0.345 60.929 61.300 -0.044 0.000 1.225 27 I CB 1.426 39.411 38.000 -0.025 0.000 1.366 27 I HN 0.589 nan 8.210 nan 0.000 0.466 28 T N 3.445 118.023 114.554 0.041 0.000 2.888 28 T HA 0.705 5.055 4.350 -0.000 0.000 0.284 28 T C -0.526 174.206 174.700 0.053 0.000 1.017 28 T CA -0.801 61.360 62.100 0.102 0.000 1.022 28 T CB 2.601 71.591 68.868 0.204 0.000 1.013 28 T HN 0.661 nan 8.240 nan 0.000 0.465 29 K N 1.912 122.322 120.400 0.016 0.000 2.498 29 K HA 0.558 4.878 4.320 -0.000 0.000 0.254 29 K C -1.574 174.825 176.600 -0.335 0.000 0.933 29 K CA -0.923 55.237 56.287 -0.212 0.000 0.806 29 K CB 2.510 34.791 32.500 -0.364 0.000 1.301 29 K HN 0.564 nan 8.250 nan 0.000 0.432 30 V N 4.880 124.574 119.914 -0.367 0.000 2.408 30 V HA 0.328 4.448 4.120 -0.000 0.000 0.267 30 V C -0.460 175.388 176.094 -0.410 0.000 1.047 30 V CA -0.218 61.915 62.300 -0.280 0.000 0.937 30 V CB -0.197 31.482 31.823 -0.240 0.000 0.999 30 V HN 0.527 nan 8.190 nan 0.000 0.472 31 F N 5.779 125.702 119.950 -0.045 0.000 2.483 31 F HA 0.455 4.981 4.527 -0.000 0.000 0.329 31 F C -1.233 174.539 175.800 -0.046 0.000 1.064 31 F CA -2.187 55.793 58.000 -0.032 0.000 0.986 31 F CB 1.268 40.267 39.000 -0.002 0.000 1.218 31 F HN 0.311 nan 8.300 nan 0.000 0.484 32 P HA -0.193 nan 4.420 nan 0.000 0.217 32 P C 0.658 177.965 177.300 0.012 0.000 1.148 32 P CA 1.615 64.714 63.100 -0.002 0.000 0.834 32 P CB 0.180 31.821 31.700 -0.098 0.000 0.783 33 E N -1.152 119.091 120.200 0.071 0.000 2.427 33 E HA 0.270 4.619 4.350 -0.000 0.000 0.196 33 E C 1.230 177.876 176.600 0.076 0.000 1.028 33 E CA 0.725 57.163 56.400 0.064 0.000 0.864 33 E CB -0.486 29.258 29.700 0.073 0.000 0.813 33 E HN 0.238 nan 8.360 nan 0.000 0.514 34 G N 0.230 109.087 108.800 0.096 0.000 2.371 34 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.663 34 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.663 34 G C -1.340 173.627 174.900 0.112 0.000 1.311 34 G CA -0.726 44.411 45.100 0.062 0.000 0.985 34 G HN 0.079 nan 8.290 nan 0.000 0.566 35 E N 0.243 120.485 120.200 0.070 0.000 2.360 35 E HA 0.493 4.842 4.350 -0.000 0.000 0.269 35 E C -0.100 176.608 176.600 0.181 0.000 1.022 35 E CA 0.145 56.608 56.400 0.105 0.000 0.887 35 E CB 0.356 30.096 29.700 0.067 0.000 0.990 35 E HN 0.438 nan 8.360 nan 0.000 0.426 36 K N 1.988 122.552 120.400 0.273 0.000 2.482 36 K HA 0.345 4.665 4.320 -0.000 0.000 0.257 36 K C -1.318 175.414 176.600 0.221 0.000 0.969 36 K CA -0.989 55.445 56.287 0.245 0.000 0.842 36 K CB 2.206 34.845 32.500 0.232 0.000 1.359 36 K HN 0.245 nan 8.250 nan 0.000 0.441 37 V N 1.978 121.989 119.914 0.160 0.000 2.405 37 V HA -0.005 4.114 4.120 -0.000 0.000 0.264 37 V C 1.100 177.275 176.094 0.135 0.000 1.048 37 V CA -0.354 62.005 62.300 0.099 0.000 0.966 37 V CB -0.012 31.806 31.823 -0.008 0.000 1.015 37 V HN 1.066 nan 8.190 nan 0.000 0.477 38 C N 2.384 121.778 119.300 0.157 0.000 2.912 38 C HA 0.796 5.256 4.460 -0.000 0.000 0.274 38 C C 0.839 175.882 174.990 0.089 0.000 1.248 38 C CA 0.094 59.210 59.018 0.165 0.000 1.694 38 C CB -0.893 27.043 27.740 0.326 0.000 2.024 38 C HN 0.944 nan 8.230 nan 0.000 0.605 39 A N -0.080 122.768 122.820 0.046 0.000 2.612 39 A HA 0.705 5.025 4.320 -0.000 0.000 0.293 39 A C -1.535 176.032 177.584 -0.028 0.000 1.075 39 A CA -0.246 51.790 52.037 -0.001 0.000 0.680 39 A CB 0.839 19.826 19.000 -0.020 0.000 1.279 39 A HN 0.398 nan 8.150 nan 0.000 0.411 40 V N 0.807 120.696 119.914 -0.042 0.000 2.495 40 V HA 0.599 4.718 4.120 -0.000 0.000 0.298 40 V C -0.653 175.407 176.094 -0.057 0.000 1.031 40 V CA -0.526 61.753 62.300 -0.035 0.000 0.871 40 V CB 1.642 33.466 31.823 0.002 0.000 0.988 40 V HN 0.741 nan 8.190 nan 0.000 0.432 41 V N 6.296 126.199 119.914 -0.019 0.000 2.409 41 V HA 0.529 4.649 4.120 -0.000 0.000 0.291 41 V C -0.299 175.851 176.094 0.093 0.000 1.020 41 V CA -0.405 61.909 62.300 0.025 0.000 0.848 41 V CB 1.722 33.568 31.823 0.039 0.000 0.990 41 V HN 0.681 nan 8.190 nan 0.000 0.430 42 I N 3.675 124.319 120.570 0.122 0.000 2.354 42 I HA 0.411 4.581 4.170 -0.000 0.000 0.292 42 I C 0.274 176.442 176.117 0.085 0.000 0.989 42 I CA -0.316 61.041 61.300 0.094 0.000 1.188 42 I CB 1.619 39.719 38.000 0.167 0.000 1.342 42 I HN 0.599 nan 8.210 nan 0.000 0.457 43 E N 6.166 126.307 120.200 -0.099 0.000 2.081 43 E HA 0.272 4.622 4.350 -0.000 0.000 0.281 43 E C -1.347 175.081 176.600 -0.287 0.000 0.986 43 E CA -0.455 55.782 56.400 -0.270 0.000 0.796 43 E CB 0.829 30.305 29.700 -0.373 0.000 1.085 43 E HN 0.394 nan 8.360 nan 0.000 0.398 44 Y N 3.910 124.066 120.300 -0.240 0.000 2.326 44 Y HA 0.188 4.738 4.550 -0.000 0.000 0.324 44 Y C -1.175 174.624 175.900 -0.168 0.000 1.291 44 Y CA -1.737 56.263 58.100 -0.166 0.000 1.348 44 Y CB 0.858 39.270 38.460 -0.081 0.000 1.294 44 Y HN 0.511 nan 8.280 nan 0.000 0.525 45 P HA 0.119 nan 4.420 nan 0.000 0.261 45 P C -0.496 176.815 177.300 0.019 0.000 1.352 45 P CA 0.618 63.706 63.100 -0.020 0.000 0.891 45 P CB 0.776 32.452 31.700 -0.040 0.000 1.383 46 V N -0.768 119.185 119.914 0.065 0.000 3.130 46 V HA 0.322 4.442 4.120 -0.000 0.000 0.308 46 V C -1.239 174.878 176.094 0.038 0.000 1.413 46 V CA -0.902 61.426 62.300 0.047 0.000 1.053 46 V CB 2.871 34.726 31.823 0.052 0.000 1.075 46 V HN -0.216 nan 8.190 nan 0.000 0.465 47 E N 2.254 122.466 120.200 0.020 0.000 2.092 47 E HA 0.404 4.754 4.350 -0.000 0.000 0.271 47 E C -1.041 175.550 176.600 -0.014 0.000 0.919 47 E CA -0.566 55.840 56.400 0.009 0.000 0.760 47 E CB 1.313 31.029 29.700 0.028 0.000 1.106 47 E HN 0.332 nan 8.360 nan 0.000 0.408 48 I N 2.364 122.890 120.570 -0.074 0.000 2.496 48 I HA 0.013 4.183 4.170 -0.000 0.000 0.285 48 I C 0.543 176.655 176.117 -0.009 0.000 1.080 48 I CA -0.277 60.956 61.300 -0.111 0.000 1.404 48 I CB 0.290 38.111 38.000 -0.298 0.000 1.403 48 I HN 0.463 nan 8.210 nan 0.000 0.539 49 D N 5.143 125.563 120.400 0.033 0.000 2.402 49 D HA 0.182 4.822 4.640 -0.000 0.000 0.235 49 D C 1.334 177.685 176.300 0.085 0.000 1.226 49 D CA -0.026 54.016 54.000 0.070 0.000 0.918 49 D CB 1.057 41.909 40.800 0.087 0.000 1.043 49 D HN 0.736 nan 8.370 nan 0.000 0.506 50 G N 3.194 112.050 108.800 0.093 0.000 2.442 50 G HA2 -0.334 3.626 3.960 -0.000 0.000 0.219 50 G HA3 -0.334 3.626 3.960 -0.000 0.000 0.219 50 G C 1.294 176.266 174.900 0.121 0.000 1.141 50 G CA 0.653 45.824 45.100 0.118 0.000 0.763 50 G HN 0.515 nan 8.290 nan 0.000 0.554 51 Q N -0.005 119.862 119.800 0.112 0.000 2.242 51 Q HA -0.131 4.209 4.340 -0.000 0.000 0.211 51 Q C 2.165 178.220 176.000 0.091 0.000 0.992 51 Q CA 1.672 57.533 55.803 0.097 0.000 0.889 51 Q CB -0.060 28.721 28.738 0.073 0.000 0.913 51 Q HN 0.469 nan 8.270 nan 0.000 0.422 52 K N -1.356 119.108 120.400 0.106 0.000 2.373 52 K HA 0.112 4.432 4.320 -0.000 0.000 0.200 52 K C -0.561 176.123 176.600 0.139 0.000 1.054 52 K CA -0.386 55.977 56.287 0.125 0.000 1.065 52 K CB 0.622 33.223 32.500 0.169 0.000 0.886 52 K HN 0.066 nan 8.250 nan 0.000 0.546 53 L N 1.041 122.345 121.223 0.134 0.000 2.452 53 L HA 0.142 4.482 4.340 -0.000 0.000 0.267 53 L C 0.257 177.210 176.870 0.139 0.000 1.188 53 L CA 0.620 55.556 54.840 0.161 0.000 0.821 53 L CB 1.234 43.388 42.059 0.159 0.000 1.102 53 L HN -0.052 nan 8.230 nan 0.000 0.470 54 S N 2.152 117.959 115.700 0.177 0.000 2.537 54 S HA 0.536 5.005 4.470 -0.000 0.000 0.271 54 S C -2.361 172.346 174.600 0.177 0.000 1.148 54 S CA -0.906 57.371 58.200 0.129 0.000 0.868 54 S CB 1.609 64.858 63.200 0.083 0.000 1.115 54 S HN 0.355 nan 8.310 nan 0.000 0.461 55 P HA -0.137 nan 4.420 nan 0.000 0.217 55 P C 0.722 178.107 177.300 0.141 0.000 1.151 55 P CA 1.654 64.832 63.100 0.130 0.000 0.849 55 P CB -0.146 31.590 31.700 0.060 0.000 0.787 56 D N -0.934 119.513 120.400 0.078 0.000 2.371 56 D HA -0.145 4.495 4.640 -0.000 0.000 0.234 56 D C 1.356 177.643 176.300 -0.021 0.000 1.049 56 D CA 0.717 54.735 54.000 0.030 0.000 0.907 56 D CB -0.813 39.992 40.800 0.009 0.000 0.891 56 D HN 0.293 nan 8.370 nan 0.000 0.531 57 Q N -1.146 118.637 119.800 -0.028 0.000 2.402 57 Q HA 0.178 4.518 4.340 -0.000 0.000 0.206 57 Q C -0.235 175.410 176.000 -0.593 0.000 0.919 57 Q CA 0.344 55.953 55.803 -0.324 0.000 0.923 57 Q CB 0.420 28.895 28.738 -0.438 0.000 1.048 57 Q HN 0.275 nan 8.270 nan 0.000 0.515 58 F N -0.929 118.994 119.950 -0.046 0.000 2.618 58 F HA 0.481 5.008 4.527 -0.000 0.000 0.332 58 F C -0.004 175.753 175.800 -0.072 0.000 1.061 58 F CA -1.153 56.807 58.000 -0.067 0.000 0.974 58 F CB 1.958 40.933 39.000 -0.041 0.000 1.310 58 F HN -0.352 nan 8.300 nan 0.000 0.491 59 S N 0.601 116.364 115.700 0.104 0.000 2.541 59 S HA 0.852 5.322 4.470 -0.000 0.000 0.280 59 S C -1.905 172.708 174.600 0.021 0.000 1.112 59 S CA -0.486 57.732 58.200 0.029 0.000 0.925 59 S CB 1.559 64.733 63.200 -0.043 0.000 1.067 59 S HN 0.445 nan 8.310 nan 0.000 0.479 60 V N 4.303 124.226 119.914 0.015 0.000 2.638 60 V HA 0.616 4.736 4.120 -0.000 0.000 0.306 60 V C -0.599 175.470 176.094 -0.042 0.000 1.052 60 V CA -0.662 61.651 62.300 0.022 0.000 0.885 60 V CB 1.896 33.773 31.823 0.090 0.000 0.999 60 V HN 0.936 nan 8.190 nan 0.000 0.424 61 K N 2.425 122.752 120.400 -0.123 0.000 2.443 61 K HA 0.805 5.125 4.320 -0.000 0.000 0.251 61 K C -1.570 174.818 176.600 -0.354 0.000 0.972 61 K CA -0.841 55.338 56.287 -0.180 0.000 0.833 61 K CB 3.037 35.426 32.500 -0.185 0.000 1.317 61 K HN 0.426 nan 8.250 nan 0.000 0.441 62 V N 1.761 121.481 119.914 -0.323 0.000 2.555 62 V HA 0.397 4.517 4.120 -0.000 0.000 0.302 62 V C -1.197 174.825 176.094 -0.119 0.000 1.038 62 V CA -0.720 61.256 62.300 -0.540 0.000 0.887 62 V CB 1.643 33.072 31.823 -0.657 0.000 0.991 62 V HN 0.644 nan 8.190 nan 0.000 0.434 63 K N 4.215 124.534 120.400 -0.136 0.000 2.312 63 K HA 0.586 4.906 4.320 -0.000 0.000 0.287 63 K C -0.433 175.990 176.600 -0.295 0.000 1.062 63 K CA 0.301 56.355 56.287 -0.390 0.000 0.934 63 K CB 0.583 32.797 32.500 -0.476 0.000 1.027 63 K HN 0.989 nan 8.250 nan 0.000 0.478 64 T N 0.625 114.971 114.554 -0.347 0.000 3.032 64 T HA 0.394 4.744 4.350 -0.000 0.000 0.312 64 T C 0.479 175.024 174.700 -0.259 0.000 1.078 64 T CA -1.020 60.876 62.100 -0.341 0.000 1.028 64 T CB 1.793 70.264 68.868 -0.662 0.000 1.091 64 T HN 0.439 nan 8.240 nan 0.000 0.457 65 G N 0.512 109.207 108.800 -0.175 0.000 3.496 65 G HA2 0.431 4.390 3.960 -0.000 0.000 0.273 65 G HA3 0.431 4.390 3.960 -0.000 0.000 0.273 65 G C 0.331 175.135 174.900 -0.160 0.000 1.279 65 G CA 0.211 45.217 45.100 -0.156 0.000 1.041 65 G HN 1.009 nan 8.290 nan 0.000 0.539 66 D N -1.634 118.642 120.400 -0.206 0.000 2.092 66 D HA -0.112 4.527 4.640 -0.000 0.000 0.775 66 D C 0.802 177.000 176.300 -0.170 0.000 0.464 66 D CA 0.762 54.663 54.000 -0.166 0.000 1.291 66 D CB -0.401 40.341 40.800 -0.096 0.000 1.165 66 D HN 0.254 nan 8.370 nan 0.000 0.355 67 T N -2.212 112.239 114.554 -0.171 0.000 2.950 67 T HA 0.669 5.018 4.350 -0.000 0.000 0.288 67 T C -0.539 174.027 174.700 -0.223 0.000 1.035 67 T CA -0.584 61.433 62.100 -0.138 0.000 1.028 67 T CB 1.429 70.276 68.868 -0.035 0.000 1.109 67 T HN 0.054 nan 8.240 nan 0.000 0.514 68 Y N 0.734 120.995 120.300 -0.064 0.000 2.387 68 Y HA 0.593 5.143 4.550 -0.000 0.000 0.330 68 Y C 0.922 176.786 175.900 -0.061 0.000 1.133 68 Y CA -0.437 57.609 58.100 -0.089 0.000 1.152 68 Y CB 1.952 40.360 38.460 -0.086 0.000 1.215 68 Y HN 1.006 nan 8.280 nan 0.000 0.466 69 S N -0.124 115.643 115.700 0.112 0.000 2.599 69 S HA 0.602 5.072 4.470 -0.000 0.000 0.287 69 S C -0.792 173.838 174.600 0.051 0.000 1.105 69 S CA -1.133 57.124 58.200 0.096 0.000 0.899 69 S CB 1.659 64.957 63.200 0.164 0.000 1.100 69 S HN 0.459 nan 8.310 nan 0.000 0.482 70 S N 1.291 117.011 115.700 0.033 0.000 2.580 70 S HA 0.448 4.918 4.470 -0.000 0.000 0.274 70 S C -0.137 174.470 174.600 0.012 0.000 1.329 70 S CA -0.642 57.562 58.200 0.005 0.000 1.036 70 S CB 0.086 63.287 63.200 0.003 0.000 0.919 70 S HN 0.479 nan 8.310 nan 0.000 0.515 71 R N 1.684 122.187 120.500 0.006 0.000 2.514 71 R HA 0.352 4.692 4.340 -0.000 0.000 0.301 71 R C -0.560 175.756 176.300 0.026 0.000 0.962 71 R CA -0.485 55.633 56.100 0.030 0.000 0.882 71 R CB 1.189 31.528 30.300 0.066 0.000 1.143 71 R HN 0.510 nan 8.270 nan 0.000 0.452 72 T N 4.102 118.668 114.554 0.021 0.000 2.727 72 T HA 0.305 4.655 4.350 -0.000 0.000 0.295 72 T C 0.889 175.598 174.700 0.016 0.000 0.915 72 T CA -0.218 61.890 62.100 0.013 0.000 1.066 72 T CB 0.011 68.880 68.868 0.003 0.000 0.891 72 T HN 0.303 nan 8.240 nan 0.000 0.516 73 I N 3.906 124.487 120.570 0.018 0.000 2.396 73 I HA 0.136 4.306 4.170 -0.000 0.000 0.289 73 I C 1.805 177.926 176.117 0.006 0.000 1.056 73 I CA -0.290 61.017 61.300 0.011 0.000 1.365 73 I CB 1.109 39.121 38.000 0.019 0.000 1.407 73 I HN 0.741 nan 8.210 nan 0.000 0.509 74 T N 1.756 116.309 114.554 -0.001 0.000 3.039 74 T HA 0.257 4.606 4.350 -0.000 0.000 0.250 74 T C 0.584 175.282 174.700 -0.002 0.000 1.052 74 T CA 0.219 62.319 62.100 0.001 0.000 1.125 74 T CB 0.239 69.109 68.868 0.003 0.000 0.908 74 T HN 0.369 nan 8.240 nan 0.000 0.473 75 K N 0.204 120.597 120.400 -0.012 0.000 2.532 75 K HA 0.734 5.054 4.320 -0.000 0.000 0.265 75 K C -1.786 174.777 176.600 -0.062 0.000 0.948 75 K CA -0.630 55.647 56.287 -0.017 0.000 0.842 75 K CB 3.249 35.754 32.500 0.008 0.000 1.392 75 K HN 0.015 nan 8.250 nan 0.000 0.436 76 V N 2.764 122.645 119.914 -0.055 0.000 2.823 76 V HA 0.756 4.876 4.120 -0.000 0.000 0.312 76 V C -1.153 174.916 176.094 -0.042 0.000 1.072 76 V CA -0.643 61.568 62.300 -0.148 0.000 0.937 76 V CB 1.270 33.045 31.823 -0.080 0.000 1.013 76 V HN 0.889 nan 8.190 nan 0.000 0.430 77 Y N 0.803 121.004 120.300 -0.165 0.000 2.949 77 Y HA 0.872 5.422 4.550 -0.000 0.000 0.347 77 Y C -0.854 175.037 175.900 -0.015 0.000 1.463 77 Y CA -0.839 57.198 58.100 -0.106 0.000 1.106 77 Y CB 0.701 39.021 38.460 -0.233 0.000 2.479 77 Y HN 1.062 nan 8.280 nan 0.000 0.389 78 A N 1.058 124.089 122.820 0.352 0.000 2.612 78 A HA 0.860 5.180 4.320 -0.000 0.000 0.293 78 A C -1.765 175.991 177.584 0.287 0.000 1.075 78 A CA -0.215 51.955 52.037 0.222 0.000 0.680 78 A CB 1.782 20.872 19.000 0.150 0.000 1.279 78 A HN 1.681 nan 8.150 nan 0.000 0.411 79 N N -0.229 118.618 118.700 0.244 0.000 3.951 79 N HA 0.125 4.865 4.740 -0.000 0.000 0.222 79 N C -1.344 174.328 175.510 0.269 0.000 1.352 79 N CA -0.679 52.502 53.050 0.218 0.000 0.852 79 N CB 0.474 39.075 38.487 0.190 0.000 1.444 79 N HN 0.328 nan 8.380 nan 0.000 0.473 80 N N -0.578 118.249 118.700 0.212 0.000 2.346 80 N HA 0.211 4.950 4.740 -0.000 0.000 0.225 80 N C -0.432 175.179 175.510 0.169 0.000 1.144 80 N CA 0.135 53.342 53.050 0.262 0.000 0.837 80 N CB 0.075 38.661 38.487 0.165 0.000 1.069 80 N HN 0.480 nan 8.380 nan 0.000 0.487 81 S N -1.030 114.683 115.700 0.021 0.000 3.037 81 S HA 0.404 4.874 4.470 -0.000 0.000 0.173 81 S C 1.275 175.575 174.600 -0.501 0.000 0.681 81 S CA 0.527 58.644 58.200 -0.139 0.000 0.807 81 S CB 0.786 63.952 63.200 -0.057 0.000 0.789 81 S HN 0.389 nan 8.310 nan 0.000 0.637 82 G N 0.680 109.184 108.800 -0.494 0.000 2.227 82 G HA2 0.024 3.983 3.960 -0.000 0.000 0.168 82 G HA3 0.024 3.983 3.960 -0.000 0.000 0.168 82 G C 0.317 175.002 174.900 -0.360 0.000 1.006 82 G CA -0.076 44.541 45.100 -0.805 0.000 0.684 82 G HN 0.812 nan 8.290 nan 0.000 0.489 83 G N -0.378 108.302 108.800 -0.199 0.000 2.494 83 G HA2 0.534 4.493 3.960 -0.000 0.000 0.270 83 G HA3 0.534 4.493 3.960 -0.000 0.000 0.270 83 G C 0.847 175.750 174.900 0.004 0.000 1.423 83 G CA -0.584 44.467 45.100 -0.081 0.000 1.055 83 G HN 0.589 nan 8.290 nan 0.000 0.536 84 L N 1.113 122.373 121.223 0.062 0.000 2.805 84 L HA 0.191 4.531 4.340 -0.000 0.000 0.237 84 L C 0.561 177.585 176.870 0.256 0.000 1.252 84 L CA -0.167 54.781 54.840 0.180 0.000 1.064 84 L CB -0.318 41.825 42.059 0.141 0.000 1.361 84 L HN 0.304 nan 8.230 nan 0.000 0.474 85 S N 0.026 115.849 115.700 0.206 0.000 2.400 85 S HA 0.303 4.773 4.470 -0.000 0.000 0.295 85 S C -0.551 174.136 174.600 0.144 0.000 1.113 85 S CA -0.543 57.733 58.200 0.126 0.000 1.064 85 S CB 0.485 63.720 63.200 0.058 0.000 0.990 85 S HN 0.181 nan 8.310 nan 0.000 0.502 86 F N 3.258 123.051 119.950 -0.261 0.000 2.404 86 F HA 0.642 5.169 4.527 -0.000 0.000 0.345 86 F C 0.056 175.682 175.800 -0.290 0.000 1.110 86 F CA -1.176 56.491 58.000 -0.555 0.000 1.130 86 F CB 1.352 39.764 39.000 -0.980 0.000 1.129 86 F HN 0.575 nan 8.300 nan 0.000 0.500 87 S N 6.888 122.324 115.700 -0.440 0.000 2.647 87 S HA 0.354 4.824 4.470 -0.000 0.000 0.300 87 S C 1.069 175.247 174.600 -0.705 0.000 1.129 87 S CA -0.747 57.102 58.200 -0.585 0.000 1.029 87 S CB 0.418 63.493 63.200 -0.208 0.000 1.007 87 S HN 0.724 nan 8.310 nan 0.000 0.484 88 I N 2.165 122.139 120.570 -0.993 0.000 2.567 88 I HA 0.014 4.183 4.170 -0.000 0.000 0.257 88 I C 0.880 176.713 176.117 -0.474 0.000 1.184 88 I CA 1.480 62.343 61.300 -0.728 0.000 1.451 88 I CB -0.317 37.207 38.000 -0.793 0.000 1.089 88 I HN 0.501 nan 8.210 nan 0.000 0.441 89 F N 2.398 122.274 119.950 -0.124 0.000 2.317 89 F HA 0.116 4.642 4.527 -0.000 0.000 0.293 89 F C 0.541 176.328 175.800 -0.023 0.000 1.085 89 F CA -0.085 57.879 58.000 -0.060 0.000 1.390 89 F CB -0.814 38.150 39.000 -0.061 0.000 1.077 89 F HN 0.323 nan 8.300 nan 0.000 0.517 90 N N -0.749 118.028 118.700 0.129 0.000 2.617 90 N HA 0.145 4.885 4.740 -0.000 0.000 0.263 90 N C -1.142 174.429 175.510 0.101 0.000 1.074 90 N CA -0.412 52.701 53.050 0.104 0.000 0.841 90 N CB 0.168 38.715 38.487 0.100 0.000 1.221 90 N HN -0.216 nan 8.380 nan 0.000 0.529 91 N N 3.063 121.833 118.700 0.118 0.000 2.819 91 N HA 0.135 4.875 4.740 -0.000 0.000 0.284 91 N C -0.814 174.786 175.510 0.149 0.000 1.196 91 N CA -0.137 53.019 53.050 0.177 0.000 1.114 91 N CB -0.189 38.414 38.487 0.193 0.000 1.437 91 N HN 0.660 nan 8.380 nan 0.000 0.518 92 R N -0.797 119.791 120.500 0.147 0.000 2.752 92 R HA 0.491 4.831 4.340 -0.000 0.000 0.277 92 R C -0.116 176.266 176.300 0.136 0.000 1.024 92 R CA -0.833 55.338 56.100 0.118 0.000 0.866 92 R CB 0.133 30.485 30.300 0.087 0.000 1.278 92 R HN 0.138 nan 8.270 nan 0.000 0.473 93 G N 0.122 108.998 108.800 0.127 0.000 2.652 93 G HA2 -0.036 3.924 3.960 -0.000 0.000 0.187 93 G HA3 -0.036 3.924 3.960 -0.000 0.000 0.187 93 G C 0.750 175.687 174.900 0.063 0.000 1.219 93 G CA 0.281 45.426 45.100 0.076 0.000 0.667 93 G HN 0.506 nan 8.290 nan 0.000 0.781 94 K N -0.410 120.030 120.400 0.066 0.000 2.127 94 K HA -0.123 4.197 4.320 -0.000 0.000 0.208 94 K C -0.306 176.272 176.600 -0.037 0.000 1.047 94 K CA 0.938 57.212 56.287 -0.021 0.000 0.927 94 K CB -0.279 32.161 32.500 -0.101 0.000 0.716 94 K HN 0.290 nan 8.250 nan 0.000 0.450 95 Y N 0.185 120.541 120.300 0.094 0.000 2.331 95 Y HA 0.273 4.823 4.550 -0.000 0.000 0.338 95 Y C -0.515 175.416 175.900 0.052 0.000 0.976 95 Y CA -0.825 57.331 58.100 0.093 0.000 1.137 95 Y CB 1.949 40.445 38.460 0.059 0.000 1.172 95 Y HN -0.308 nan 8.280 nan 0.000 0.478 96 V N 5.511 125.558 119.914 0.223 0.000 2.347 96 V HA 0.335 4.455 4.120 -0.000 0.000 0.280 96 V C -0.464 175.566 176.094 -0.106 0.000 1.021 96 V CA -0.909 61.409 62.300 0.030 0.000 0.847 96 V CB 1.374 33.220 31.823 0.039 0.000 0.990 96 V HN 0.471 nan 8.190 nan 0.000 0.444 97 V N 7.089 126.802 119.914 -0.336 0.000 2.407 97 V HA 0.421 4.541 4.120 -0.000 0.000 0.278 97 V C -0.061 175.698 176.094 -0.558 0.000 1.037 97 V CA -0.406 61.598 62.300 -0.494 0.000 0.900 97 V CB 1.398 32.724 31.823 -0.830 0.000 0.983 97 V HN 0.620 nan 8.190 nan 0.000 0.459 98 L N 4.884 125.882 121.223 -0.375 0.000 2.294 98 L HA 0.541 4.881 4.340 -0.000 0.000 0.283 98 L C 0.236 176.995 176.870 -0.185 0.000 1.015 98 L CA -0.375 54.277 54.840 -0.313 0.000 0.831 98 L CB 1.312 43.197 42.059 -0.289 0.000 1.217 98 L HN 0.589 nan 8.230 nan 0.000 0.420 99 E N 3.510 123.624 120.200 -0.144 0.000 2.354 99 E HA 0.475 4.824 4.350 -0.000 0.000 0.269 99 E C -0.874 175.720 176.600 -0.010 0.000 1.036 99 E CA -0.348 56.028 56.400 -0.039 0.000 0.876 99 E CB 1.397 31.108 29.700 0.019 0.000 1.009 99 E HN 0.425 nan 8.360 nan 0.000 0.416 100 L N 1.405 122.640 121.223 0.020 0.000 2.330 100 L HA 0.353 4.693 4.340 -0.000 0.000 0.271 100 L C 0.258 177.133 176.870 0.010 0.000 1.013 100 L CA -0.889 53.969 54.840 0.030 0.000 0.816 100 L CB 1.791 43.892 42.059 0.070 0.000 1.287 100 L HN 0.396 nan 8.230 nan 0.000 0.435 101 S N -0.221 115.478 115.700 -0.002 0.000 2.505 101 S HA 0.073 4.543 4.470 -0.000 0.000 0.276 101 S C 1.177 175.734 174.600 -0.073 0.000 1.274 101 S CA -0.303 57.876 58.200 -0.035 0.000 1.053 101 S CB 0.707 63.890 63.200 -0.028 0.000 0.919 101 S HN 0.777 nan 8.310 nan 0.000 0.490 102 T N 1.902 116.364 114.554 -0.153 0.000 3.160 102 T HA 0.102 4.452 4.350 -0.000 0.000 0.257 102 T C 0.763 175.360 174.700 -0.171 0.000 1.147 102 T CA 0.606 62.546 62.100 -0.266 0.000 1.064 102 T CB -0.228 68.283 68.868 -0.594 0.000 0.949 102 T HN 0.637 nan 8.240 nan 0.000 0.526 103 E N 1.045 121.181 120.200 -0.107 0.000 2.474 103 E HA 0.169 4.519 4.350 -0.000 0.000 0.194 103 E C 0.044 176.611 176.600 -0.056 0.000 1.041 103 E CA -0.158 56.196 56.400 -0.076 0.000 0.874 103 E CB -0.066 29.596 29.700 -0.064 0.000 0.914 103 E HN 0.519 nan 8.360 nan 0.000 0.498 104 D N 0.364 120.737 120.400 -0.045 0.000 2.449 104 D HA -0.080 4.560 4.640 -0.000 0.000 0.236 104 D C 1.169 177.443 176.300 -0.043 0.000 1.149 104 D CA -0.039 53.943 54.000 -0.030 0.000 0.878 104 D CB 0.785 41.588 40.800 0.004 0.000 1.198 104 D HN -0.052 nan 8.370 nan 0.000 0.446 105 L N 2.503 123.674 121.223 -0.086 0.000 1.955 105 L HA -0.180 4.160 4.340 -0.000 0.000 0.213 105 L C 0.896 177.663 176.870 -0.173 0.000 1.072 105 L CA 1.910 56.642 54.840 -0.179 0.000 0.755 105 L CB -0.515 41.349 42.059 -0.324 0.000 0.888 105 L HN 0.485 nan 8.230 nan 0.000 0.432 106 H N -1.096 117.993 119.070 0.032 0.000 2.640 106 H HA 0.199 4.755 4.556 -0.000 0.000 0.220 106 H C 1.286 176.654 175.328 0.067 0.000 1.852 106 H CA 0.300 56.376 56.048 0.046 0.000 1.275 106 H CB 0.015 29.793 29.762 0.028 0.000 1.675 106 H HN 0.381 nan 8.280 nan 0.000 0.523 107 S N -0.432 115.351 115.700 0.137 0.000 2.475 107 S HA -0.003 4.466 4.470 -0.000 0.000 0.224 107 S C 0.877 175.561 174.600 0.139 0.000 1.042 107 S CA -0.452 57.826 58.200 0.130 0.000 0.935 107 S CB 0.208 63.433 63.200 0.042 0.000 0.801 107 S HN 0.302 nan 8.310 nan 0.000 0.509 108 N N 2.873 121.640 118.700 0.112 0.000 2.492 108 N HA 0.181 4.921 4.740 -0.000 0.000 0.262 108 N C 1.143 176.725 175.510 0.120 0.000 1.202 108 N CA 0.784 53.890 53.050 0.094 0.000 0.926 108 N CB 1.291 39.800 38.487 0.037 0.000 1.078 108 N HN 0.533 nan 8.380 nan 0.000 0.454 109 T N -1.334 113.284 114.554 0.106 0.000 3.057 109 T HA 0.230 4.579 4.350 -0.000 0.000 0.254 109 T C 0.810 175.555 174.700 0.075 0.000 1.094 109 T CA 0.377 62.537 62.100 0.102 0.000 1.088 109 T CB -0.058 68.870 68.868 0.101 0.000 0.934 109 T HN 0.351 nan 8.240 nan 0.000 0.497 110 I N 2.209 122.812 120.570 0.055 0.000 2.339 110 I HA 0.489 4.658 4.170 -0.000 0.000 0.290 110 I C -0.564 175.577 176.117 0.039 0.000 0.994 110 I CA -1.287 60.035 61.300 0.037 0.000 1.191 110 I CB 2.086 40.092 38.000 0.011 0.000 1.343 110 I HN -0.039 nan 8.210 nan 0.000 0.458 111 V N 8.126 128.103 119.914 0.104 0.000 2.394 111 V HA 0.398 4.517 4.120 -0.000 0.000 0.282 111 V C -0.267 176.013 176.094 0.310 0.000 1.031 111 V CA -0.581 61.851 62.300 0.220 0.000 0.881 111 V CB 1.064 33.002 31.823 0.192 0.000 0.982 111 V HN 0.508 nan 8.190 nan 0.000 0.451 112 F N 5.995 125.979 119.950 0.057 0.000 2.661 112 F HA 0.699 5.225 4.527 -0.000 0.000 0.356 112 F C 0.801 176.621 175.800 0.033 0.000 1.244 112 F CA -1.781 56.247 58.000 0.046 0.000 1.290 112 F CB -1.447 37.585 39.000 0.053 0.000 1.677 112 F HN 0.511 nan 8.300 nan 0.000 0.649 113 G N 2.145 111.049 108.800 0.174 0.000 2.716 113 G HA2 0.319 4.279 3.960 -0.000 0.000 0.251 113 G HA3 0.319 4.279 3.960 -0.000 0.000 0.251 113 G C -2.398 172.524 174.900 0.036 0.000 1.224 113 G CA -1.136 44.007 45.100 0.070 0.000 0.891 113 G HN 0.364 nan 8.290 nan 0.000 0.561 114 P HA 0.191 nan 4.420 nan 0.000 0.220 114 P C -0.233 177.079 177.300 0.021 0.000 1.793 114 P CA -0.075 63.017 63.100 -0.014 0.000 0.917 114 P CB 0.011 31.703 31.700 -0.014 0.000 1.755 115 N N -0.305 118.420 118.700 0.043 0.000 3.628 115 N HA 0.316 5.056 4.740 -0.000 0.000 0.321 115 N C -0.687 174.895 175.510 0.120 0.000 1.482 115 N CA -0.350 52.770 53.050 0.118 0.000 0.637 115 N CB 0.144 38.715 38.487 0.140 0.000 3.164 115 N HN -0.152 nan 8.380 nan 0.000 0.551 116 F N 1.350 121.347 119.950 0.078 0.000 2.732 116 F HA 0.514 5.041 4.527 -0.000 0.000 0.312 116 F C -0.485 175.327 175.800 0.020 0.000 1.240 116 F CA -0.064 57.980 58.000 0.074 0.000 1.211 116 F CB 0.046 39.075 39.000 0.048 0.000 1.331 116 F HN 0.046 nan 8.300 nan 0.000 0.537 117 L N 1.720 123.035 121.223 0.153 0.000 2.620 117 L HA 0.335 4.675 4.340 -0.000 0.000 0.261 117 L C -1.041 175.889 176.870 0.101 0.000 0.978 117 L CA -0.486 54.416 54.840 0.102 0.000 0.897 117 L CB 0.889 42.992 42.059 0.073 0.000 1.207 117 L HN 0.080 nan 8.230 nan 0.000 0.425 118 N N 0.980 119.741 118.700 0.103 0.000 2.495 118 N HA 0.570 5.310 4.740 -0.000 0.000 0.280 118 N C -0.310 175.244 175.510 0.074 0.000 1.168 118 N CA -0.401 52.719 53.050 0.116 0.000 0.978 118 N CB 2.045 40.600 38.487 0.114 0.000 1.191 118 N HN 0.370 nan 8.380 nan 0.000 0.497 119 T N -0.777 113.824 114.554 0.077 0.000 2.896 119 T HA 0.371 4.721 4.350 -0.000 0.000 0.297 119 T C -1.198 173.529 174.700 0.045 0.000 1.108 119 T CA -0.828 61.301 62.100 0.049 0.000 1.004 119 T CB 1.300 70.191 68.868 0.039 0.000 1.159 119 T HN 0.312 nan 8.240 nan 0.000 0.499 120 R N 4.561 125.073 120.500 0.021 0.000 2.272 120 R HA 0.331 4.671 4.340 -0.000 0.000 0.323 120 R C 0.259 176.550 176.300 -0.014 0.000 1.002 120 R CA -0.618 55.487 56.100 0.007 0.000 0.900 120 R CB 0.287 30.576 30.300 -0.017 0.000 1.151 120 R HN 0.815 nan 8.270 nan 0.000 0.507 121 M N 4.152 123.758 119.600 0.011 0.000 2.240 121 M HA 0.043 4.523 4.480 -0.000 0.000 0.346 121 M C 0.519 176.814 176.300 -0.007 0.000 1.236 121 M CA 0.575 55.879 55.300 0.007 0.000 0.986 121 M CB 0.026 32.640 32.600 0.023 0.000 1.786 121 M HN 0.114 nan 8.290 nan 0.000 0.457 122 K N 2.137 122.529 120.400 -0.014 0.000 2.524 122 K HA 0.141 4.461 4.320 -0.000 0.000 0.279 122 K C -0.778 175.841 176.600 0.031 0.000 0.993 122 K CA -0.312 55.970 56.287 -0.010 0.000 1.030 122 K CB 0.134 32.628 32.500 -0.010 0.000 0.891 122 K HN 0.477 nan 8.250 nan 0.000 0.488 123 L N 2.587 123.837 121.223 0.045 0.000 2.290 123 L HA 0.144 4.483 4.340 -0.000 0.000 0.284 123 L C -0.129 176.845 176.870 0.174 0.000 1.078 123 L CA 0.491 55.396 54.840 0.108 0.000 0.815 123 L CB 0.514 42.593 42.059 0.033 0.000 1.162 123 L HN 0.615 nan 8.230 nan 0.000 0.435 124 D N 3.207 123.793 120.400 0.310 0.000 2.375 124 D HA 0.240 4.880 4.640 -0.000 0.000 0.259 124 D C -1.482 175.053 176.300 0.391 0.000 1.235 124 D CA -0.175 53.985 54.000 0.266 0.000 0.924 124 D CB 0.271 41.129 40.800 0.098 0.000 1.143 124 D HN 0.138 nan 8.370 nan 0.000 0.529 125 Y N 1.455 121.831 120.300 0.126 0.000 2.429 125 Y HA 0.556 5.106 4.550 -0.000 0.000 0.342 125 Y C -0.012 175.949 175.900 0.101 0.000 1.004 125 Y CA -1.033 57.144 58.100 0.128 0.000 1.075 125 Y CB 1.913 40.419 38.460 0.077 0.000 1.214 125 Y HN 0.264 nan 8.280 nan 0.000 0.455 126 I N 2.749 123.367 120.570 0.081 0.000 2.509 126 I HA 0.710 4.880 4.170 -0.000 0.000 0.293 126 I C -1.589 174.503 176.117 -0.042 0.000 1.020 126 I CA -0.749 60.526 61.300 -0.040 0.000 1.088 126 I CB 1.187 39.016 38.000 -0.285 0.000 1.267 126 I HN 0.343 nan 8.210 nan 0.000 0.430 127 V N 5.706 125.612 119.914 -0.013 0.000 2.638 127 V HA 0.590 4.709 4.120 -0.000 0.000 0.306 127 V C -0.755 175.235 176.094 -0.173 0.000 1.052 127 V CA -0.417 61.870 62.300 -0.021 0.000 0.885 127 V CB 2.129 34.002 31.823 0.083 0.000 0.999 127 V HN 0.806 nan 8.190 nan 0.000 0.424 128 S N 3.445 119.012 115.700 -0.221 0.000 2.538 128 S HA 0.489 4.959 4.470 -0.000 0.000 0.288 128 S C -0.803 173.589 174.600 -0.347 0.000 1.108 128 S CA -0.686 57.254 58.200 -0.433 0.000 0.971 128 S CB 1.853 64.873 63.200 -0.300 0.000 1.041 128 S HN 0.780 nan 8.310 nan 0.000 0.483 129 Q N 2.657 122.082 119.800 -0.626 0.000 2.295 129 Q HA 0.344 4.683 4.340 -0.000 0.000 0.259 129 Q C -0.083 175.675 176.000 -0.404 0.000 0.976 129 Q CA -0.330 55.206 55.803 -0.445 0.000 0.923 129 Q CB 0.430 29.051 28.738 -0.195 0.000 1.185 129 Q HN 0.797 nan 8.270 nan 0.000 0.410 130 L N 3.825 124.805 121.223 -0.405 0.000 2.168 130 L HA 0.079 4.418 4.340 -0.000 0.000 0.203 130 L C 0.759 177.494 176.870 -0.224 0.000 1.078 130 L CA 0.363 55.043 54.840 -0.266 0.000 0.780 130 L CB 0.287 42.218 42.059 -0.213 0.000 0.939 130 L HN 0.554 nan 8.230 nan 0.000 0.451 131 V N -4.795 114.960 119.914 -0.265 0.000 3.113 131 V HA 0.584 4.704 4.120 -0.000 0.000 0.316 131 V C -2.717 173.246 176.094 -0.219 0.000 1.125 131 V CA -2.610 59.566 62.300 -0.206 0.000 1.026 131 V CB 1.157 32.867 31.823 -0.189 0.000 1.080 131 V HN -0.156 nan 8.190 nan 0.000 0.444 132 P HA 0.416 nan 4.420 nan 0.000 0.271 132 P C -0.478 176.637 177.300 -0.309 0.000 1.216 132 P CA 0.040 63.008 63.100 -0.221 0.000 0.776 132 P CB 0.323 31.879 31.700 -0.240 0.000 0.881 133 I N -1.468 118.944 120.570 -0.263 0.000 2.693 133 I HA 0.551 4.720 4.170 -0.000 0.000 0.303 133 I C -0.816 175.150 176.117 -0.252 0.000 1.025 133 I CA -1.241 59.911 61.300 -0.246 0.000 1.086 133 I CB 1.507 39.453 38.000 -0.090 0.000 1.268 133 I HN -0.003 nan 8.210 nan 0.000 0.440 134 F N 3.252 123.194 119.950 -0.013 0.000 2.410 134 F HA 0.286 4.813 4.527 -0.000 0.000 0.348 134 F C 0.588 176.375 175.800 -0.022 0.000 1.106 134 F CA -0.135 57.859 58.000 -0.009 0.000 1.163 134 F CB 0.703 39.703 39.000 -0.001 0.000 1.129 134 F HN 0.618 nan 8.300 nan 0.000 0.516 135 D N 0.992 121.496 120.400 0.172 0.000 2.451 135 D HA 0.199 4.839 4.640 -0.000 0.000 0.259 135 D C 1.055 177.410 176.300 0.092 0.000 1.201 135 D CA -0.545 53.506 54.000 0.085 0.000 1.028 135 D CB 0.248 41.074 40.800 0.044 0.000 1.095 135 D HN 0.265 nan 8.370 nan 0.000 0.539 136 V N -1.784 118.163 119.914 0.056 0.000 2.626 136 V HA -0.111 4.009 4.120 -0.000 0.000 0.252 136 V C 0.623 176.740 176.094 0.038 0.000 1.067 136 V CA 1.758 64.085 62.300 0.045 0.000 1.081 136 V CB -1.215 30.631 31.823 0.038 0.000 0.686 136 V HN 0.553 nan 8.190 nan 0.000 0.468 137 D N 0.561 120.988 120.400 0.046 0.000 2.368 137 D HA 0.377 5.017 4.640 -0.000 0.000 0.218 137 D C 1.555 177.886 176.300 0.051 0.000 1.112 137 D CA 0.529 54.551 54.000 0.038 0.000 0.834 137 D CB 0.102 40.923 40.800 0.035 0.000 0.953 137 D HN 0.626 nan 8.370 nan 0.000 0.505 138 G N 0.262 109.110 108.800 0.080 0.000 2.143 138 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.248 138 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.248 138 G C 0.096 175.116 174.900 0.199 0.000 0.991 138 G CA -0.364 44.798 45.100 0.103 0.000 0.689 138 G HN 0.306 nan 8.290 nan 0.000 0.522 139 N N 0.828 119.628 118.700 0.168 0.000 2.399 139 N HA 0.306 5.045 4.740 -0.000 0.000 0.250 139 N C 0.387 175.995 175.510 0.163 0.000 1.272 139 N CA 0.022 53.160 53.050 0.146 0.000 0.928 139 N CB 0.434 38.971 38.487 0.082 0.000 1.158 139 N HN 0.375 nan 8.380 nan 0.000 0.463 140 E N 0.397 120.627 120.200 0.049 0.000 2.301 140 E HA 0.259 4.609 4.350 -0.000 0.000 0.275 140 E C -0.562 176.014 176.600 -0.039 0.000 1.030 140 E CA -0.513 55.831 56.400 -0.094 0.000 0.852 140 E CB 1.479 31.096 29.700 -0.139 0.000 1.060 140 E HN 0.151 nan 8.360 nan 0.000 0.401 141 V N 3.585 123.466 119.914 -0.054 0.000 2.370 141 V HA 0.096 4.216 4.120 -0.000 0.000 0.283 141 V C 0.352 176.465 176.094 0.032 0.000 1.023 141 V CA -0.808 61.513 62.300 0.035 0.000 0.857 141 V CB 1.379 33.270 31.823 0.112 0.000 0.985 141 V HN 0.483 nan 8.190 nan 0.000 0.443 142 E N 5.188 125.417 120.200 0.047 0.000 2.404 142 E HA 0.249 4.599 4.350 -0.000 0.000 0.261 142 E C -2.307 174.343 176.600 0.083 0.000 1.074 142 E CA -1.935 54.483 56.400 0.031 0.000 0.917 142 E CB 0.341 30.055 29.700 0.023 0.000 0.965 142 E HN 0.405 nan 8.360 nan 0.000 0.433 143 P HA -0.015 nan 4.420 nan 0.000 0.266 143 P C -0.601 176.775 177.300 0.126 0.000 1.193 143 P CA 0.539 63.645 63.100 0.010 0.000 0.770 143 P CB 0.185 31.851 31.700 -0.057 0.000 0.836 144 F N -1.499 118.430 119.950 -0.035 0.000 2.686 144 F HA 0.778 5.304 4.527 -0.000 0.000 0.311 144 F C -1.351 174.431 175.800 -0.029 0.000 1.128 144 F CA -0.710 57.269 58.000 -0.036 0.000 0.946 144 F CB 1.124 40.094 39.000 -0.049 0.000 1.336 144 F HN 0.084 nan 8.300 nan 0.000 0.457 145 T N 1.315 115.847 114.554 -0.036 0.000 2.912 145 T HA 0.683 5.033 4.350 -0.000 0.000 0.299 145 T C -1.496 173.293 174.700 0.148 0.000 1.052 145 T CA -0.769 61.245 62.100 -0.144 0.000 0.996 145 T CB 1.589 70.398 68.868 -0.099 0.000 1.070 145 T HN 0.883 nan 8.240 nan 0.000 0.465 146 S N 1.410 117.181 115.700 0.118 0.000 2.543 146 S HA 0.467 4.937 4.470 -0.000 0.000 0.274 146 S C -1.137 173.529 174.600 0.111 0.000 1.149 146 S CA -0.890 57.417 58.200 0.179 0.000 0.866 146 S CB 1.045 64.443 63.200 0.330 0.000 1.111 146 S HN 0.599 nan 8.310 nan 0.000 0.457 147 K N 1.964 122.420 120.400 0.093 0.000 2.187 147 K HA 0.185 4.504 4.320 -0.000 0.000 0.247 147 K C 0.527 177.193 176.600 0.110 0.000 1.019 147 K CA -0.556 55.794 56.287 0.105 0.000 0.893 147 K CB 0.204 32.763 32.500 0.098 0.000 1.025 147 K HN 0.698 nan 8.250 nan 0.000 0.500 148 Q N 0.748 120.618 119.800 0.117 0.000 2.421 148 Q HA -0.013 4.327 4.340 -0.000 0.000 0.255 148 Q C 0.110 176.135 176.000 0.041 0.000 1.013 148 Q CA 0.574 56.421 55.803 0.074 0.000 0.895 148 Q CB 0.998 29.765 28.738 0.049 0.000 1.271 148 Q HN 0.817 nan 8.270 nan 0.000 0.460 149 T N -1.818 112.746 114.554 0.018 0.000 3.054 149 T HA 0.288 4.638 4.350 -0.000 0.000 0.255 149 T C -0.312 174.382 174.700 -0.010 0.000 1.035 149 T CA -0.123 61.978 62.100 0.002 0.000 0.941 149 T CB 0.393 69.253 68.868 -0.012 0.000 1.026 149 T HN 0.581 nan 8.240 nan 0.000 0.533 150 D N 0.349 120.737 120.400 -0.020 0.000 2.685 150 D HA 0.281 4.921 4.640 -0.000 0.000 0.236 150 D C -1.252 174.998 176.300 -0.084 0.000 1.233 150 D CA -0.430 53.542 54.000 -0.048 0.000 0.760 150 D CB 2.373 43.144 40.800 -0.047 0.000 1.410 150 D HN 0.335 nan 8.370 nan 0.000 0.439 151 E N 0.540 120.661 120.200 -0.132 0.000 2.222 151 E HA 0.568 4.918 4.350 -0.000 0.000 0.267 151 E C -0.445 175.953 176.600 -0.337 0.000 0.963 151 E CA -0.948 55.312 56.400 -0.234 0.000 0.837 151 E CB 2.777 32.339 29.700 -0.230 0.000 1.183 151 E HN 0.140 nan 8.360 nan 0.000 0.403 152 K N 1.606 121.789 120.400 -0.362 0.000 2.507 152 K HA 0.291 4.611 4.320 -0.000 0.000 0.251 152 K C -1.629 174.796 176.600 -0.291 0.000 0.943 152 K CA -0.582 55.499 56.287 -0.343 0.000 0.794 152 K CB 0.937 33.345 32.500 -0.154 0.000 1.188 152 K HN 0.596 nan 8.250 nan 0.000 0.428 153 H N 4.411 123.504 119.070 0.037 0.000 2.685 153 H HA 0.253 4.809 4.556 -0.000 0.000 0.286 153 H C -0.326 175.014 175.328 0.020 0.000 1.102 153 H CA -0.776 55.302 56.048 0.051 0.000 1.254 153 H CB 0.794 30.635 29.762 0.131 0.000 1.397 153 H HN 0.250 nan 8.280 nan 0.000 0.473 154 L N 4.724 125.997 121.223 0.083 0.000 2.455 154 L HA -0.009 4.331 4.340 -0.000 0.000 0.272 154 L C 0.981 177.866 176.870 0.024 0.000 1.174 154 L CA 0.182 55.038 54.840 0.027 0.000 0.869 154 L CB 0.337 42.383 42.059 -0.022 0.000 1.130 154 L HN 0.938 nan 8.230 nan 0.000 0.474 155 I N 2.255 122.864 120.570 0.066 0.000 5.021 155 I HA -0.379 3.791 4.170 -0.000 0.000 0.223 155 I C 1.144 177.394 176.117 0.222 0.000 1.649 155 I CA 0.804 62.184 61.300 0.133 0.000 1.443 155 I CB -0.899 37.128 38.000 0.044 0.000 2.787 155 I HN 0.643 nan 8.210 nan 0.000 0.314 156 I N 0.425 121.076 120.570 0.135 0.000 4.327 156 I HA 0.006 4.176 4.170 -0.000 0.000 0.331 156 I C 1.359 177.561 176.117 0.141 0.000 1.348 156 I CA 0.556 61.871 61.300 0.025 0.000 1.152 156 I CB 0.242 38.138 38.000 -0.174 0.000 1.151 156 I HN 0.246 nan 8.210 nan 0.000 0.410 157 D N -0.767 119.753 120.400 0.200 0.000 2.360 157 D HA -0.054 4.586 4.640 -0.000 0.000 0.210 157 D C 0.890 177.290 176.300 0.167 0.000 1.047 157 D CA 0.352 54.464 54.000 0.187 0.000 0.854 157 D CB -0.113 40.778 40.800 0.151 0.000 0.936 157 D HN 0.098 nan 8.370 nan 0.000 0.514 158 D N -0.330 120.211 120.400 0.235 0.000 2.328 158 D HA 0.085 4.725 4.640 -0.000 0.000 0.221 158 D C -0.456 175.943 176.300 0.165 0.000 1.072 158 D CA -0.066 54.033 54.000 0.164 0.000 0.850 158 D CB 0.026 40.944 40.800 0.196 0.000 0.922 158 D HN 0.222 nan 8.370 nan 0.000 0.516 159 F N 1.096 121.106 119.950 0.099 0.000 2.404 159 F HA 0.178 4.705 4.527 -0.000 0.000 0.354 159 F C 0.396 176.196 175.800 -0.000 0.000 1.122 159 F CA -1.133 56.929 58.000 0.104 0.000 1.080 159 F CB 1.141 40.203 39.000 0.104 0.000 1.131 159 F HN -0.306 nan 8.300 nan 0.000 0.471 160 L N 3.461 124.732 121.223 0.080 0.000 2.456 160 L HA 0.265 4.605 4.340 -0.000 0.000 0.272 160 L C 0.424 177.130 176.870 -0.274 0.000 1.189 160 L CA -0.229 54.516 54.840 -0.158 0.000 0.846 160 L CB 0.091 42.042 42.059 -0.180 0.000 1.111 160 L HN 0.643 nan 8.230 nan 0.000 0.475 161 A N 4.133 126.690 122.820 -0.438 0.000 2.301 161 A HA 0.768 5.088 4.320 -0.000 0.000 0.312 161 A C -0.862 176.278 177.584 -0.740 0.000 1.182 161 A CA -0.204 51.604 52.037 -0.382 0.000 0.826 161 A CB 0.275 19.172 19.000 -0.172 0.000 1.134 161 A HN 0.453 nan 8.150 nan 0.000 0.501 162 F N -0.390 119.380 119.950 -0.301 0.000 2.662 162 F HA 0.627 5.154 4.527 -0.000 0.000 0.312 162 F C 0.262 175.859 175.800 -0.338 0.000 1.113 162 F CA -0.264 57.491 58.000 -0.410 0.000 0.951 162 F CB 2.530 41.028 39.000 -0.837 0.000 1.344 162 F HN 0.504 nan 8.300 nan 0.000 0.462 163 T N 1.277 115.918 114.554 0.144 0.000 2.893 163 T HA 0.606 4.956 4.350 -0.000 0.000 0.291 163 T C -1.829 173.115 174.700 0.406 0.000 1.028 163 T CA -0.548 61.690 62.100 0.229 0.000 0.995 163 T CB 1.875 70.838 68.868 0.159 0.000 1.051 163 T HN 0.417 nan 8.240 nan 0.000 0.470 164 F N 2.993 123.133 119.950 0.316 0.000 2.539 164 F HA 0.569 5.096 4.527 -0.000 0.000 0.318 164 F C -0.869 175.032 175.800 0.169 0.000 1.135 164 F CA -0.964 57.194 58.000 0.264 0.000 0.915 164 F CB 1.389 40.572 39.000 0.305 0.000 1.176 164 F HN 0.470 nan 8.300 nan 0.000 0.440 165 K N 4.060 124.128 120.400 -0.554 0.000 2.206 165 K HA 0.289 4.609 4.320 -0.000 0.000 0.264 165 K C -1.007 175.063 176.600 -0.883 0.000 0.967 165 K CA -0.882 55.127 56.287 -0.464 0.000 0.844 165 K CB 1.798 34.157 32.500 -0.236 0.000 1.099 165 K HN 0.482 nan 8.250 nan 0.000 0.441 166 D N 4.668 124.805 120.400 -0.439 0.000 2.545 166 D HA 0.110 4.750 4.640 -0.000 0.000 0.227 166 D C -2.127 174.083 176.300 -0.149 0.000 1.150 166 D CA -1.635 52.231 54.000 -0.224 0.000 1.046 166 D CB 0.287 41.139 40.800 0.087 0.000 1.098 166 D HN 0.339 nan 8.370 nan 0.000 0.502 167 P HA 0.152 nan 4.420 nan 0.000 0.292 167 P C 0.548 177.833 177.300 -0.026 0.000 1.287 167 P CA -0.374 62.669 63.100 -0.096 0.000 0.800 167 P CB 1.358 32.991 31.700 -0.112 0.000 0.945 168 E N 1.598 121.797 120.200 -0.002 0.000 2.239 168 E HA -0.245 4.105 4.350 -0.000 0.000 0.240 168 E C 0.384 176.970 176.600 -0.022 0.000 1.079 168 E CA 1.942 58.338 56.400 -0.006 0.000 0.991 168 E CB -1.321 28.385 29.700 0.009 0.000 0.863 168 E HN 0.562 nan 8.360 nan 0.000 0.491 169 T N -3.115 111.427 114.554 -0.020 0.000 3.233 169 T HA 0.453 4.803 4.350 -0.000 0.000 0.400 169 T C -0.536 174.162 174.700 -0.003 0.000 1.740 169 T CA -0.139 61.946 62.100 -0.026 0.000 1.060 169 T CB 0.590 69.447 68.868 -0.019 0.000 1.720 169 T HN 0.751 nan 8.240 nan 0.000 0.485 170 G N 1.971 110.771 108.800 -0.001 0.000 4.417 170 G HA2 0.345 4.305 3.960 -0.000 0.000 0.221 170 G HA3 0.345 4.305 3.960 -0.000 0.000 0.221 170 G C 0.275 175.171 174.900 -0.005 0.000 1.003 170 G CA 0.464 45.551 45.100 -0.022 0.000 0.832 170 G HN 1.175 nan 8.290 nan 0.000 0.356 171 V N 1.315 121.244 119.914 0.025 0.000 2.644 171 V HA 0.133 4.253 4.120 -0.000 0.000 0.303 171 V C 0.299 176.433 176.094 0.067 0.000 1.058 171 V CA 0.679 63.010 62.300 0.052 0.000 1.228 171 V CB 0.802 32.672 31.823 0.078 0.000 0.861 171 V HN 0.422 nan 8.190 nan 0.000 0.484 172 E N 6.238 126.480 120.200 0.070 0.000 2.266 172 E HA 0.499 4.848 4.350 -0.000 0.000 0.277 172 E C -0.758 175.946 176.600 0.175 0.000 1.018 172 E CA -0.647 55.813 56.400 0.100 0.000 0.840 172 E CB 1.079 30.821 29.700 0.071 0.000 1.082 172 E HN 0.619 nan 8.360 nan 0.000 0.395 173 I N 5.932 126.672 120.570 0.282 0.000 2.476 173 I HA 0.275 4.445 4.170 -0.000 0.000 0.281 173 I C -2.441 173.919 176.117 0.405 0.000 1.040 173 I CA -2.702 58.800 61.300 0.337 0.000 1.094 173 I CB 1.099 39.336 38.000 0.395 0.000 1.219 173 I HN 0.310 nan 8.210 nan 0.000 0.450 174 P HA 0.324 nan 4.420 nan 0.000 0.275 174 P C -1.291 176.257 177.300 0.414 0.000 1.228 174 P CA 0.199 63.468 63.100 0.283 0.000 0.786 174 P CB 0.460 32.269 31.700 0.181 0.000 0.927 175 Y N -0.589 119.866 120.300 0.260 0.000 2.597 175 Y HA 0.746 5.296 4.550 -0.000 0.000 0.340 175 Y C -0.859 175.216 175.900 0.291 0.000 1.097 175 Y CA -1.416 56.845 58.100 0.268 0.000 1.037 175 Y CB 1.308 39.922 38.460 0.257 0.000 1.305 175 Y HN 0.059 nan 8.280 nan 0.000 0.463 176 R N 2.128 122.912 120.500 0.472 0.000 2.562 176 R HA 0.678 5.018 4.340 -0.000 0.000 0.298 176 R C -1.959 174.740 176.300 0.666 0.000 0.961 176 R CA -1.072 55.295 56.100 0.446 0.000 0.881 176 R CB 2.220 32.720 30.300 0.332 0.000 1.159 176 R HN 0.887 nan 8.270 nan 0.000 0.450 177 L N 3.210 124.780 121.223 0.579 0.000 2.439 177 L HA 0.484 4.824 4.340 -0.000 0.000 0.270 177 L C -1.553 175.372 176.870 0.091 0.000 0.972 177 L CA -0.630 54.471 54.840 0.435 0.000 0.836 177 L CB 1.536 43.904 42.059 0.514 0.000 1.255 177 L HN 0.522 nan 8.230 nan 0.000 0.404 178 F N 5.838 125.542 119.950 -0.410 0.000 2.410 178 F HA 0.715 5.242 4.527 -0.000 0.000 0.349 178 F C -0.762 174.789 175.800 -0.416 0.000 1.117 178 F CA -0.432 57.134 58.000 -0.724 0.000 1.104 178 F CB 1.270 39.548 39.000 -1.203 0.000 1.122 178 F HN 0.277 nan 8.300 nan 0.000 0.483 179 V N 8.079 127.445 119.914 -0.913 0.000 2.398 179 V HA 0.379 4.499 4.120 -0.000 0.000 0.286 179 V C -1.985 173.357 176.094 -1.254 0.000 1.026 179 V CA -1.895 59.811 62.300 -0.990 0.000 0.868 179 V CB 1.191 32.681 31.823 -0.555 0.000 0.982 179 V HN 0.647 nan 8.190 nan 0.000 0.443 180 P HA 0.214 nan 4.420 nan 0.000 0.269 180 P C -0.806 176.164 177.300 -0.551 0.000 1.209 180 P CA -0.250 62.446 63.100 -0.674 0.000 0.776 180 P CB 0.636 31.965 31.700 -0.617 0.000 0.876 181 K N 0.466 120.643 120.400 -0.370 0.000 2.316 181 K HA 0.519 4.839 4.320 -0.000 0.000 0.234 181 K C -1.023 175.475 176.600 -0.169 0.000 1.054 181 K CA -0.984 55.155 56.287 -0.247 0.000 0.879 181 K CB 0.576 32.956 32.500 -0.200 0.000 1.252 181 K HN 0.193 nan 8.250 nan 0.000 0.471 182 D N 0.725 121.056 120.400 -0.116 0.000 2.365 182 D HA 0.270 4.910 4.640 -0.000 0.000 0.237 182 D C -1.068 175.187 176.300 -0.075 0.000 1.190 182 D CA -0.584 53.357 54.000 -0.099 0.000 0.867 182 D CB 1.531 42.293 40.800 -0.062 0.000 1.050 182 D HN 0.227 nan 8.370 nan 0.000 0.491 183 V N 3.010 122.873 119.914 -0.084 0.000 2.488 183 V HA 0.214 4.334 4.120 -0.000 0.000 0.293 183 V C -0.671 175.480 176.094 0.095 0.000 1.027 183 V CA -1.078 61.187 62.300 -0.059 0.000 0.862 183 V CB 1.471 33.108 31.823 -0.310 0.000 1.008 183 V HN 0.730 nan 8.190 nan 0.000 0.428 184 N N 8.627 127.414 118.700 0.144 0.000 2.131 184 N HA -0.018 4.721 4.740 -0.000 0.000 0.276 184 N C -1.793 173.837 175.510 0.199 0.000 1.295 184 N CA -0.204 52.930 53.050 0.140 0.000 0.818 184 N CB 1.138 39.691 38.487 0.110 0.000 1.049 184 N HN 0.377 nan 8.380 nan 0.000 0.484 185 P HA 0.097 nan 4.420 nan 0.000 0.245 185 P C -0.674 176.695 177.300 0.115 0.000 1.212 185 P CA 0.566 63.761 63.100 0.158 0.000 0.774 185 P CB 0.270 32.035 31.700 0.109 0.000 0.999 186 D N 0.137 120.583 120.400 0.076 0.000 2.894 186 D HA 0.192 4.832 4.640 -0.000 0.000 0.248 186 D C 0.286 176.582 176.300 -0.006 0.000 1.291 186 D CA 0.216 54.235 54.000 0.032 0.000 0.840 186 D CB 0.075 40.888 40.800 0.022 0.000 1.044 186 D HN 0.083 nan 8.370 nan 0.000 0.484 187 R N -0.196 120.284 120.500 -0.033 0.000 2.707 187 R HA 0.389 4.729 4.340 -0.000 0.000 0.272 187 R C -0.814 175.296 176.300 -0.316 0.000 1.011 187 R CA -0.699 55.284 56.100 -0.195 0.000 0.893 187 R CB 2.090 32.233 30.300 -0.261 0.000 1.233 187 R HN -0.178 nan 8.270 nan 0.000 0.464 188 K N 1.873 122.051 120.400 -0.369 0.000 2.123 188 K HA 0.400 4.720 4.320 -0.000 0.000 0.259 188 K C -1.280 175.056 176.600 -0.441 0.000 0.960 188 K CA -0.555 55.568 56.287 -0.273 0.000 0.872 188 K CB 1.478 33.901 32.500 -0.129 0.000 1.079 188 K HN 0.374 nan 8.250 nan 0.000 0.440 189 Y N 0.484 120.879 120.300 0.159 0.000 2.536 189 Y HA 0.310 4.860 4.550 -0.000 0.000 0.347 189 Y C -2.272 173.733 175.900 0.175 0.000 1.000 189 Y CA -2.713 55.516 58.100 0.214 0.000 1.051 189 Y CB 1.257 39.910 38.460 0.322 0.000 1.259 189 Y HN 0.448 nan 8.280 nan 0.000 0.468 190 P HA 0.036 nan 4.420 nan 0.000 0.269 190 P C -1.136 176.256 177.300 0.153 0.000 1.215 190 P CA -0.118 63.046 63.100 0.106 0.000 0.780 190 P CB 0.605 32.445 31.700 0.234 0.000 0.898 191 L N 3.819 124.993 121.223 -0.081 0.000 2.296 191 L HA 0.391 4.731 4.340 -0.000 0.000 0.286 191 L C -1.095 175.729 176.870 -0.076 0.000 1.023 191 L CA -0.417 54.406 54.840 -0.028 0.000 0.812 191 L CB 1.328 43.303 42.059 -0.140 0.000 1.223 191 L HN 0.022 nan 8.230 nan 0.000 0.421 192 V N 6.232 126.130 119.914 -0.027 0.000 2.370 192 V HA 0.428 4.548 4.120 -0.000 0.000 0.279 192 V C -0.151 175.873 176.094 -0.116 0.000 1.029 192 V CA -0.611 61.568 62.300 -0.201 0.000 0.870 192 V CB 1.496 32.986 31.823 -0.556 0.000 0.984 192 V HN 0.544 nan 8.190 nan 0.000 0.451 193 V N 6.229 126.082 119.914 -0.102 0.000 2.394 193 V HA 0.461 4.581 4.120 -0.000 0.000 0.282 193 V C -0.490 175.572 176.094 -0.052 0.000 1.031 193 V CA -0.492 61.777 62.300 -0.053 0.000 0.881 193 V CB 1.441 33.230 31.823 -0.057 0.000 0.982 193 V HN 0.702 nan 8.190 nan 0.000 0.451 194 F N 6.431 126.296 119.950 -0.141 0.000 2.495 194 F HA 0.742 5.268 4.527 -0.000 0.000 0.327 194 F C -0.865 174.818 175.800 -0.196 0.000 1.103 194 F CA -1.101 56.822 58.000 -0.129 0.000 0.949 194 F CB 1.451 40.435 39.000 -0.027 0.000 1.142 194 F HN 0.300 nan 8.300 nan 0.000 0.457 195 L N 6.792 127.209 121.223 -1.344 0.000 2.345 195 L HA 0.316 4.655 4.340 -0.000 0.000 0.274 195 L C -0.679 175.448 176.870 -1.238 0.000 0.999 195 L CA -1.094 52.952 54.840 -1.322 0.000 0.849 195 L CB 1.055 42.338 42.059 -1.292 0.000 1.220 195 L HN 0.742 nan 8.230 nan 0.000 0.422 196 H N 1.068 119.643 119.070 -0.825 0.000 2.771 196 H HA 0.513 5.069 4.556 -0.000 0.000 0.364 196 H C 0.565 175.978 175.328 0.141 0.000 1.133 196 H CA 0.092 56.002 56.048 -0.230 0.000 1.423 196 H CB 0.810 30.617 29.762 0.075 0.000 1.425 196 H HN 0.766 nan 8.280 nan 0.000 0.606 197 G N 0.994 109.887 108.800 0.156 0.000 2.940 197 G HA2 0.030 3.989 3.960 -0.000 0.000 0.273 197 G HA3 0.030 3.989 3.960 -0.000 0.000 0.273 197 G C 0.762 175.858 174.900 0.327 0.000 1.030 197 G CA 0.017 45.272 45.100 0.258 0.000 1.066 197 G HN 1.188 nan 8.290 nan 0.000 0.466 198 A N 1.807 124.767 122.820 0.233 0.000 1.865 198 A HA 0.185 4.505 4.320 -0.000 0.000 0.217 198 A C 2.959 180.644 177.584 0.168 0.000 1.191 198 A CA 2.622 54.746 52.037 0.144 0.000 0.623 198 A CB -0.953 18.258 19.000 0.351 0.000 0.826 198 A HN 2.226 nan 8.150 nan 0.000 0.444 199 G N -0.701 108.237 108.800 0.230 0.000 2.475 199 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 199 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 199 G C 1.182 176.127 174.900 0.076 0.000 1.125 199 G CA 1.358 46.554 45.100 0.159 0.000 0.755 199 G HN 0.529 nan 8.290 nan 0.000 0.565 200 E N 0.058 120.283 120.200 0.042 0.000 2.489 200 E HA 0.159 4.509 4.350 -0.000 0.000 0.193 200 E C 1.229 177.657 176.600 -0.286 0.000 1.057 200 E CA -0.273 56.019 56.400 -0.180 0.000 0.866 200 E CB 0.076 29.538 29.700 -0.396 0.000 0.916 200 E HN 0.374 nan 8.360 nan 0.000 0.500 201 R N -0.014 120.478 120.500 -0.015 0.000 2.698 201 R HA 0.381 4.721 4.340 -0.000 0.000 0.266 201 R C 0.705 176.983 176.300 -0.036 0.000 1.026 201 R CA 0.945 57.054 56.100 0.015 0.000 1.102 201 R CB 0.430 30.691 30.300 -0.066 0.000 0.978 201 R HN 0.229 nan 8.270 nan 0.000 0.436 202 G N -0.524 108.263 108.800 -0.022 0.000 2.356 202 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.266 202 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.266 202 G C -0.281 174.628 174.900 0.015 0.000 1.312 202 G CA -0.155 44.939 45.100 -0.010 0.000 0.922 202 G HN 0.429 nan 8.290 nan 0.000 0.480 203 T N 0.031 114.599 114.554 0.024 0.000 3.191 203 T HA 0.154 4.503 4.350 -0.000 0.000 0.285 203 T C 1.299 176.026 174.700 0.046 0.000 0.887 203 T CA 1.157 63.281 62.100 0.040 0.000 0.881 203 T CB -0.013 68.871 68.868 0.027 0.000 1.217 203 T HN 0.685 nan 8.240 nan 0.000 0.591 204 D N 1.197 121.620 120.400 0.039 0.000 2.347 204 D HA 0.035 4.675 4.640 -0.000 0.000 0.215 204 D C 0.891 177.238 176.300 0.077 0.000 0.976 204 D CA 0.364 54.390 54.000 0.043 0.000 0.884 204 D CB -0.422 40.392 40.800 0.025 0.000 0.915 204 D HN 0.253 nan 8.370 nan 0.000 0.526 205 N N -1.649 117.105 118.700 0.089 0.000 2.741 205 N HA -0.283 4.457 4.740 -0.000 0.000 0.250 205 N C -0.509 175.071 175.510 0.117 0.000 1.115 205 N CA 0.864 53.977 53.050 0.104 0.000 0.724 205 N CB -1.714 36.828 38.487 0.090 0.000 1.090 205 N HN 0.557 nan 8.380 nan 0.000 0.558 206 Y N -1.119 119.146 120.300 -0.057 0.000 2.912 206 Y HA 0.321 4.871 4.550 -0.000 0.000 0.250 206 Y C 1.637 177.463 175.900 -0.124 0.000 1.073 206 Y CA 0.184 58.222 58.100 -0.104 0.000 1.275 206 Y CB -0.588 37.800 38.460 -0.120 0.000 1.470 206 Y HN -0.003 nan 8.280 nan 0.000 0.447 207 L N 1.442 122.708 121.223 0.071 0.000 2.054 207 L HA -0.381 3.958 4.340 -0.000 0.000 0.220 207 L C 2.268 179.040 176.870 -0.164 0.000 1.081 207 L CA 2.756 57.567 54.840 -0.048 0.000 0.780 207 L CB -1.037 40.977 42.059 -0.075 0.000 0.893 207 L HN 0.475 nan 8.230 nan 0.000 0.438 208 Q N -2.111 117.563 119.800 -0.211 0.000 2.181 208 Q HA -0.148 4.192 4.340 -0.000 0.000 0.205 208 Q C 1.938 177.930 176.000 -0.013 0.000 0.980 208 Q CA 1.629 57.360 55.803 -0.121 0.000 0.862 208 Q CB -0.685 28.099 28.738 0.076 0.000 0.905 208 Q HN 0.376 nan 8.270 nan 0.000 0.429 209 V N -0.623 119.155 119.914 -0.227 0.000 3.650 209 V HA 0.260 4.380 4.120 -0.000 0.000 0.271 209 V C 1.388 177.208 176.094 -0.456 0.000 1.281 209 V CA 0.969 63.015 62.300 -0.422 0.000 1.120 209 V CB 0.515 31.959 31.823 -0.632 0.000 0.856 209 V HN 0.474 nan 8.190 nan 0.000 0.443 210 A N -0.681 121.920 122.820 -0.365 0.000 2.192 210 A HA 0.346 4.665 4.320 -0.000 0.000 0.208 210 A C 2.152 179.656 177.584 -0.133 0.000 1.220 210 A CA 0.870 52.739 52.037 -0.279 0.000 0.900 210 A CB -0.324 18.517 19.000 -0.265 0.000 0.937 210 A HN 0.434 nan 8.150 nan 0.000 0.487 211 G N 1.122 109.861 108.800 -0.102 0.000 2.450 211 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.220 211 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.220 211 G C 0.586 175.477 174.900 -0.014 0.000 1.130 211 G CA 1.111 46.186 45.100 -0.042 0.000 0.760 211 G HN 0.804 nan 8.290 nan 0.000 0.557 212 N N -2.829 115.827 118.700 -0.074 0.000 3.387 212 N HA 0.158 4.898 4.740 -0.000 0.000 0.294 212 N C -0.285 175.104 175.510 -0.202 0.000 1.519 212 N CA -0.900 52.129 53.050 -0.036 0.000 0.875 212 N CB 0.454 38.997 38.487 0.093 0.000 1.657 212 N HN -0.105 nan 8.380 nan 0.000 0.527 213 R N -0.227 120.154 120.500 -0.198 0.000 2.320 213 R HA 0.107 4.446 4.340 -0.000 0.000 0.211 213 R C 1.740 177.583 176.300 -0.763 0.000 0.931 213 R CA 0.567 56.438 56.100 -0.382 0.000 1.071 213 R CB -0.335 29.802 30.300 -0.271 0.000 1.025 213 R HN 0.730 nan 8.270 nan 0.000 0.495 214 G N 1.265 109.479 108.800 -0.977 0.000 2.505 214 G HA2 -0.351 3.608 3.960 -0.000 0.000 0.220 214 G HA3 -0.351 3.608 3.960 -0.000 0.000 0.220 214 G C 1.344 175.335 174.900 -1.515 0.000 1.145 214 G CA 1.217 45.255 45.100 -1.769 0.000 0.761 214 G HN 0.426 nan 8.290 nan 0.000 0.571 215 A N -1.033 121.099 122.820 -1.147 0.000 2.014 215 A HA 0.484 4.804 4.320 -0.000 0.000 0.210 215 A C 2.379 179.915 177.584 -0.080 0.000 1.188 215 A CA 1.065 52.848 52.037 -0.423 0.000 0.731 215 A CB 0.041 18.823 19.000 -0.364 0.000 0.858 215 A HN 0.217 nan 8.150 nan 0.000 0.464 216 V N -0.650 119.070 119.914 -0.324 0.000 2.649 216 V HA -0.121 3.999 4.120 -0.000 0.000 0.248 216 V C 2.425 178.372 176.094 -0.246 0.000 1.054 216 V CA 1.482 63.663 62.300 -0.197 0.000 1.073 216 V CB 0.378 32.030 31.823 -0.285 0.000 0.699 216 V HN 0.369 nan 8.190 nan 0.000 0.463 217 V N -0.184 119.447 119.914 -0.472 0.000 2.324 217 V HA -0.297 3.823 4.120 -0.000 0.000 0.250 217 V C 2.011 177.829 176.094 -0.459 0.000 1.060 217 V CA 2.554 64.528 62.300 -0.544 0.000 1.042 217 V CB -0.413 30.874 31.823 -0.893 0.000 0.650 217 V HN 0.786 nan 8.190 nan 0.000 0.450 218 W N -0.064 121.156 121.300 -0.134 0.000 2.465 218 W HA 0.164 4.824 4.660 -0.000 0.000 0.268 218 W C 2.240 178.659 176.519 -0.167 0.000 1.242 218 W CA 0.773 58.078 57.345 -0.067 0.000 1.248 218 W CB -0.523 28.922 29.460 -0.025 0.000 1.118 218 W HN 0.302 nan 8.180 nan 0.000 0.587 219 A N -0.266 122.444 122.820 -0.183 0.000 2.308 219 A HA 0.105 4.424 4.320 -0.000 0.000 0.217 219 A C 0.850 178.245 177.584 -0.314 0.000 1.216 219 A CA -0.217 51.434 52.037 -0.643 0.000 0.864 219 A CB -0.383 17.999 19.000 -1.030 0.000 0.902 219 A HN 0.223 nan 8.150 nan 0.000 0.499 220 Q N 0.537 120.270 119.800 -0.112 0.000 2.311 220 Q HA 0.119 4.459 4.340 -0.000 0.000 0.272 220 Q C -1.534 174.422 176.000 -0.073 0.000 1.012 220 Q CA -1.847 53.908 55.803 -0.081 0.000 0.891 220 Q CB 0.722 29.413 28.738 -0.077 0.000 1.201 220 Q HN 0.145 nan 8.270 nan 0.000 0.391 221 P HA -0.313 nan 4.420 nan 0.000 0.220 221 P C 0.848 178.077 177.300 -0.119 0.000 1.155 221 P CA 1.759 64.817 63.100 -0.069 0.000 0.880 221 P CB -0.010 31.651 31.700 -0.064 0.000 0.790 222 R N -1.894 118.476 120.500 -0.218 0.000 2.139 222 R HA -0.183 4.156 4.340 -0.000 0.000 0.243 222 R C 1.623 177.719 176.300 -0.339 0.000 1.145 222 R CA 1.734 57.626 56.100 -0.347 0.000 0.976 222 R CB -1.315 28.659 30.300 -0.544 0.000 0.866 222 R HN 0.231 nan 8.270 nan 0.000 0.449 223 Y N 0.320 120.591 120.300 -0.048 0.000 2.500 223 Y HA 0.197 4.747 4.550 -0.000 0.000 0.284 223 Y C 2.478 178.339 175.900 -0.064 0.000 1.118 223 Y CA -0.045 58.047 58.100 -0.014 0.000 1.241 223 Y CB -0.034 38.454 38.460 0.047 0.000 1.171 223 Y HN -0.073 nan 8.280 nan 0.000 0.540 224 Q N 0.421 120.267 119.800 0.076 0.000 2.170 224 Q HA -0.126 4.214 4.340 -0.000 0.000 0.203 224 Q C 2.386 178.365 176.000 -0.036 0.000 0.976 224 Q CA 1.913 57.727 55.803 0.019 0.000 0.858 224 Q CB -0.632 28.124 28.738 0.030 0.000 0.907 224 Q HN 0.548 nan 8.270 nan 0.000 0.433 225 V N -2.205 117.675 119.914 -0.058 0.000 2.720 225 V HA -0.074 4.046 4.120 -0.000 0.000 0.256 225 V C 1.950 177.979 176.094 -0.108 0.000 1.082 225 V CA 1.552 63.808 62.300 -0.073 0.000 1.101 225 V CB -0.412 31.366 31.823 -0.074 0.000 0.693 225 V HN 0.168 nan 8.190 nan 0.000 0.479 226 V N -0.690 119.116 119.914 -0.180 0.000 3.572 226 V HA 0.353 4.473 4.120 -0.000 0.000 0.260 226 V C 0.648 176.390 176.094 -0.586 0.000 1.324 226 V CA 0.170 62.263 62.300 -0.344 0.000 1.068 226 V CB 0.022 31.618 31.823 -0.378 0.000 0.837 226 V HN 0.762 nan 8.190 nan 0.000 0.450 227 H N 2.477 121.448 119.070 -0.166 0.000 2.380 227 H HA 0.401 4.957 4.556 -0.000 0.000 0.231 227 H C -2.798 172.425 175.328 -0.174 0.000 1.415 227 H CA -1.922 53.931 56.048 -0.324 0.000 1.433 227 H CB 0.481 29.558 29.762 -1.142 0.000 1.544 227 H HN 0.383 nan 8.280 nan 0.000 0.503 228 P HA 0.047 nan 4.420 nan 0.000 0.266 228 P C 0.338 177.688 177.300 0.084 0.000 1.195 228 P CA 0.238 63.326 63.100 -0.020 0.000 0.768 228 P CB 1.007 32.599 31.700 -0.180 0.000 0.838 229 C N 1.768 121.118 119.300 0.083 0.000 3.275 229 C HA 0.613 5.073 4.460 -0.000 0.000 0.340 229 C C -0.999 174.106 174.990 0.191 0.000 1.366 229 C CA -1.159 58.014 59.018 0.257 0.000 1.227 229 C CB 0.208 28.221 27.740 0.455 0.000 1.512 229 C HN 0.399 nan 8.230 nan 0.000 0.461 230 F N 1.041 121.083 119.950 0.153 0.000 2.377 230 F HA 0.652 5.178 4.527 -0.000 0.000 0.328 230 F C 0.640 176.507 175.800 0.111 0.000 1.094 230 F CA -0.336 57.734 58.000 0.117 0.000 1.093 230 F CB 1.621 40.609 39.000 -0.020 0.000 1.214 230 F HN 0.702 nan 8.300 nan 0.000 0.518 231 V N 4.560 124.657 119.914 0.305 0.000 2.735 231 V HA 0.708 4.828 4.120 -0.000 0.000 0.310 231 V C -1.911 174.368 176.094 0.308 0.000 1.061 231 V CA -0.832 61.611 62.300 0.239 0.000 0.913 231 V CB 1.876 33.843 31.823 0.241 0.000 1.005 231 V HN 0.638 nan 8.190 nan 0.000 0.428 232 L N 6.421 127.800 121.223 0.260 0.000 2.319 232 L HA 0.929 5.269 4.340 -0.000 0.000 0.281 232 L C 0.026 177.074 176.870 0.297 0.000 1.005 232 L CA -0.015 54.983 54.840 0.264 0.000 0.828 232 L CB 1.330 43.437 42.059 0.080 0.000 1.227 232 L HN 0.972 nan 8.230 nan 0.000 0.415 233 A N 7.827 130.890 122.820 0.405 0.000 2.508 233 A HA 0.738 5.057 4.320 -0.000 0.000 0.336 233 A C -2.697 175.109 177.584 0.369 0.000 1.360 233 A CA -1.270 50.999 52.037 0.386 0.000 0.841 233 A CB -0.119 19.106 19.000 0.375 0.000 1.136 233 A HN 0.520 nan 8.150 nan 0.000 0.489 234 P HA 0.237 nan 4.420 nan 0.000 0.276 234 P C -0.800 176.829 177.300 0.548 0.000 1.261 234 P CA -0.271 63.062 63.100 0.388 0.000 0.800 234 P CB 0.976 32.819 31.700 0.238 0.000 1.066 235 Q N 0.134 120.259 119.800 0.542 0.000 2.310 235 Q HA 0.402 4.742 4.340 -0.000 0.000 0.270 235 Q C -1.338 174.855 176.000 0.320 0.000 1.025 235 Q CA -0.722 55.417 55.803 0.560 0.000 0.772 235 Q CB 1.332 30.247 28.738 0.295 0.000 1.253 235 Q HN 0.517 nan 8.270 nan 0.000 0.450 236 C N 6.838 126.168 119.300 0.049 0.000 2.514 236 C HA 0.585 5.045 4.460 -0.000 0.000 0.392 236 C C -2.089 172.801 174.990 -0.167 0.000 1.294 236 C CA -1.741 57.016 59.018 -0.434 0.000 1.957 236 C CB 0.065 27.050 27.740 -1.259 0.000 2.541 236 C HN 0.683 nan 8.230 nan 0.000 0.569 237 P HA 0.196 nan 4.420 nan 0.000 0.270 237 P C -2.593 174.636 177.300 -0.118 0.000 1.223 237 P CA -0.904 62.154 63.100 -0.071 0.000 0.785 237 P CB -0.409 31.266 31.700 -0.042 0.000 0.923 238 P HA -0.096 nan 4.420 nan 0.000 0.267 238 P C 0.591 177.828 177.300 -0.105 0.000 1.195 238 P CA 0.809 63.853 63.100 -0.093 0.000 0.773 238 P CB -0.094 31.578 31.700 -0.046 0.000 0.837 239 N N -2.355 116.269 118.700 -0.126 0.000 2.929 239 N HA -0.177 4.563 4.740 -0.000 0.000 0.234 239 N C 0.214 175.666 175.510 -0.098 0.000 0.908 239 N CA 1.464 54.460 53.050 -0.090 0.000 0.993 239 N CB -1.242 37.221 38.487 -0.040 0.000 1.075 239 N HN 0.441 nan 8.380 nan 0.000 0.603 240 S N -0.850 114.759 115.700 -0.152 0.000 2.739 240 S HA 0.800 5.270 4.470 -0.000 0.000 0.306 240 S C -0.083 174.350 174.600 -0.278 0.000 1.115 240 S CA 0.265 58.371 58.200 -0.155 0.000 0.985 240 S CB 1.863 64.987 63.200 -0.125 0.000 1.133 240 S HN 0.406 nan 8.310 nan 0.000 0.541 241 S N -0.250 115.315 115.700 -0.226 0.000 2.705 241 S HA 0.498 4.967 4.470 -0.000 0.000 0.280 241 S C -0.168 174.303 174.600 -0.215 0.000 1.174 241 S CA -0.878 57.139 58.200 -0.304 0.000 0.823 241 S CB 0.278 63.462 63.200 -0.026 0.000 1.162 241 S HN 0.829 nan 8.310 nan 0.000 0.487 242 W N 1.968 123.277 121.300 0.016 0.000 2.441 242 W HA 0.162 4.822 4.660 -0.000 0.000 0.302 242 W C 1.642 178.210 176.519 0.083 0.000 1.191 242 W CA 0.696 58.055 57.345 0.023 0.000 1.327 242 W CB -0.245 29.211 29.460 -0.008 0.000 1.128 242 W HN 0.809 nan 8.180 nan 0.000 0.522 243 S N -0.424 115.480 115.700 0.339 0.000 2.745 243 S HA 0.242 4.712 4.470 -0.000 0.000 0.292 243 S C 0.697 175.388 174.600 0.151 0.000 1.133 243 S CA -0.211 58.148 58.200 0.265 0.000 0.998 243 S CB 1.033 64.439 63.200 0.343 0.000 1.087 243 S HN 0.121 nan 8.310 nan 0.000 0.551 244 T N -0.095 114.523 114.554 0.107 0.000 3.802 244 T HA 0.095 4.445 4.350 -0.000 0.000 0.243 244 T C 1.069 175.738 174.700 -0.051 0.000 0.934 244 T CA -0.051 62.067 62.100 0.029 0.000 0.931 244 T CB -0.914 67.961 68.868 0.012 0.000 1.167 244 T HN 0.549 nan 8.240 nan 0.000 0.655 245 L N 0.194 121.389 121.223 -0.047 0.000 1.988 245 L HA 0.286 4.626 4.340 -0.000 0.000 0.207 245 L C 1.604 178.316 176.870 -0.263 0.000 1.071 245 L CA 1.665 56.370 54.840 -0.224 0.000 0.744 245 L CB -0.589 41.297 42.059 -0.289 0.000 0.893 245 L HN 0.374 nan 8.230 nan 0.000 0.433 246 F N -0.694 119.132 119.950 -0.207 0.000 2.773 246 F HA 0.085 4.612 4.527 -0.000 0.000 0.304 246 F C 1.380 177.093 175.800 -0.144 0.000 1.129 246 F CA 0.751 58.629 58.000 -0.203 0.000 1.378 246 F CB -0.221 38.645 39.000 -0.224 0.000 1.095 246 F HN 0.334 nan 8.300 nan 0.000 0.565 247 T N -5.254 109.303 114.554 0.005 0.000 3.041 247 T HA 0.138 4.487 4.350 -0.000 0.000 0.276 247 T C 0.194 174.871 174.700 -0.039 0.000 0.948 247 T CA -0.214 61.883 62.100 -0.005 0.000 0.885 247 T CB 0.283 69.159 68.868 0.013 0.000 1.175 247 T HN 0.042 nan 8.240 nan 0.000 0.529 252 P HA 0.334 nan 4.420 nan 0.000 0.262 252 P C -0.714 176.482 177.300 -0.174 0.000 1.651 252 P CA -0.127 62.702 63.100 -0.453 0.000 1.119 252 P CB -0.331 31.078 31.700 -0.485 0.000 1.552 253 F N -1.362 118.645 119.950 0.094 0.000 2.704 253 F HA 0.242 4.769 4.527 -0.000 0.000 0.304 253 F C 1.023 176.899 175.800 0.127 0.000 1.094 253 F CA -0.786 57.300 58.000 0.144 0.000 1.275 253 F CB -0.550 38.515 39.000 0.108 0.000 1.073 253 F HN -0.124 nan 8.300 nan 0.000 0.586 254 N N 2.620 121.459 118.700 0.231 0.000 2.483 254 N HA 0.207 4.947 4.740 -0.000 0.000 0.269 254 N C -2.652 172.967 175.510 0.183 0.000 1.209 254 N CA -1.371 51.784 53.050 0.175 0.000 0.969 254 N CB 0.281 38.833 38.487 0.109 0.000 1.173 254 N HN -0.145 nan 8.380 nan 0.000 0.475 255 P HA 0.148 nan 4.420 nan 0.000 0.276 255 P C -0.195 177.211 177.300 0.177 0.000 1.235 255 P CA 0.033 63.263 63.100 0.216 0.000 0.772 255 P CB 0.699 32.555 31.700 0.260 0.000 0.871 256 E N 2.317 122.626 120.200 0.182 0.000 2.250 256 E HA 0.146 4.496 4.350 -0.000 0.000 0.269 256 E C 1.054 177.744 176.600 0.151 0.000 1.018 256 E CA -0.597 55.885 56.400 0.136 0.000 0.873 256 E CB 0.811 30.573 29.700 0.103 0.000 1.134 256 E HN 0.244 nan 8.360 nan 0.000 0.403 257 K N 2.061 122.530 120.400 0.115 0.000 2.152 257 K HA -0.098 4.222 4.320 -0.000 0.000 0.206 257 K C -1.212 175.478 176.600 0.151 0.000 1.048 257 K CA 1.200 57.562 56.287 0.125 0.000 0.933 257 K CB -0.930 31.627 32.500 0.096 0.000 0.721 257 K HN 0.335 nan 8.250 nan 0.000 0.447 258 P HA -0.154 nan 4.420 nan 0.000 0.217 258 P C 1.474 178.984 177.300 0.350 0.000 1.150 258 P CA 0.719 63.937 63.100 0.196 0.000 0.832 258 P CB 0.064 31.780 31.700 0.026 0.000 0.787 259 L N -1.022 120.433 121.223 0.386 0.000 2.027 259 L HA -0.114 4.226 4.340 -0.000 0.000 0.206 259 L C 2.061 179.030 176.870 0.166 0.000 1.074 259 L CA 1.764 56.803 54.840 0.332 0.000 0.745 259 L CB -1.582 40.672 42.059 0.325 0.000 0.898 259 L HN -0.180 nan 8.230 nan 0.000 0.433 260 L N 0.434 121.770 121.223 0.189 0.000 2.030 260 L HA -0.306 4.034 4.340 -0.000 0.000 0.222 260 L C 2.738 179.648 176.870 0.067 0.000 1.082 260 L CA 2.345 57.270 54.840 0.142 0.000 0.785 260 L CB -1.887 40.279 42.059 0.178 0.000 0.895 260 L HN 0.463 nan 8.230 nan 0.000 0.439 261 A N -1.499 121.398 122.820 0.128 0.000 1.933 261 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 261 A C 2.393 179.918 177.584 -0.099 0.000 1.175 261 A CA 1.782 53.901 52.037 0.137 0.000 0.628 261 A CB -0.847 18.328 19.000 0.293 0.000 0.814 261 A HN 0.269 nan 8.150 nan 0.000 0.444 262 V N 0.719 120.590 119.914 -0.072 0.000 2.332 262 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 262 V C 2.435 178.345 176.094 -0.306 0.000 1.055 262 V CA 1.842 64.020 62.300 -0.204 0.000 1.038 262 V CB -0.716 31.002 31.823 -0.175 0.000 0.651 262 V HN 0.531 nan 8.190 nan 0.000 0.450 263 I N 0.177 120.566 120.570 -0.303 0.000 2.208 263 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 263 I C 2.399 178.280 176.117 -0.394 0.000 1.097 263 I CA 1.792 62.837 61.300 -0.426 0.000 1.363 263 I CB -1.269 36.300 38.000 -0.720 0.000 1.051 263 I HN 0.399 nan 8.210 nan 0.000 0.413 264 K N 0.567 120.756 120.400 -0.351 0.000 2.097 264 K HA -0.105 4.215 4.320 -0.000 0.000 0.206 264 K C 2.137 178.398 176.600 -0.566 0.000 1.049 264 K CA 1.177 57.257 56.287 -0.346 0.000 0.933 264 K CB -0.182 32.209 32.500 -0.180 0.000 0.717 264 K HN 0.269 nan 8.250 nan 0.000 0.442 265 I N 1.042 121.126 120.570 -0.811 0.000 2.226 265 I HA -0.284 3.885 4.170 -0.000 0.000 0.245 265 I C 2.166 177.975 176.117 -0.514 0.000 1.100 265 I CA 1.258 62.054 61.300 -0.840 0.000 1.374 265 I CB -0.309 37.126 38.000 -0.942 0.000 1.057 265 I HN 0.098 nan 8.210 nan 0.000 0.413 266 I N 0.494 120.813 120.570 -0.418 0.000 2.208 266 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 266 I C 2.727 178.674 176.117 -0.284 0.000 1.097 266 I CA 1.463 62.570 61.300 -0.322 0.000 1.363 266 I CB -0.434 37.380 38.000 -0.310 0.000 1.051 266 I HN 0.177 nan 8.210 nan 0.000 0.413 267 R N 0.783 121.115 120.500 -0.281 0.000 2.066 267 R HA -0.188 4.152 4.340 -0.000 0.000 0.232 267 R C 2.309 178.508 176.300 -0.168 0.000 1.131 267 R CA 1.280 57.254 56.100 -0.210 0.000 0.955 267 R CB -0.545 29.648 30.300 -0.179 0.000 0.851 267 R HN 0.356 nan 8.270 nan 0.000 0.432 268 K N 1.598 121.892 120.400 -0.178 0.000 2.044 268 K HA -0.166 4.154 4.320 -0.000 0.000 0.210 268 K C 2.141 178.677 176.600 -0.106 0.000 1.049 268 K CA 1.430 57.644 56.287 -0.122 0.000 0.927 268 K CB -0.156 32.278 32.500 -0.111 0.000 0.713 268 K HN 0.129 nan 8.250 nan 0.000 0.443 269 L N 1.026 122.177 121.223 -0.120 0.000 2.046 269 L HA -0.196 4.144 4.340 -0.000 0.000 0.208 269 L C 2.443 179.286 176.870 -0.044 0.000 1.077 269 L CA 1.040 55.877 54.840 -0.005 0.000 0.747 269 L CB -0.496 41.514 42.059 -0.081 0.000 0.896 269 L HN 0.240 nan 8.230 nan 0.000 0.432 270 L N -0.850 120.292 121.223 -0.135 0.000 2.083 270 L HA -0.192 4.148 4.340 -0.000 0.000 0.209 270 L C 2.221 179.025 176.870 -0.110 0.000 1.083 270 L CA 0.914 55.669 54.840 -0.141 0.000 0.752 270 L CB -0.844 41.118 42.059 -0.162 0.000 0.899 270 L HN 0.240 nan 8.230 nan 0.000 0.433 271 D N 0.680 121.016 120.400 -0.107 0.000 2.104 271 D HA -0.197 4.443 4.640 -0.000 0.000 0.194 271 D C 2.095 178.320 176.300 -0.126 0.000 0.994 271 D CA 1.528 55.468 54.000 -0.100 0.000 0.830 271 D CB -0.057 40.690 40.800 -0.088 0.000 0.959 271 D HN 0.465 nan 8.370 nan 0.000 0.452 272 E N -1.500 118.599 120.200 -0.169 0.000 2.318 272 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 272 E C -0.105 176.212 176.600 -0.470 0.000 0.998 272 E CA 0.305 56.495 56.400 -0.350 0.000 0.859 272 E CB 0.384 29.771 29.700 -0.522 0.000 0.812 272 E HN 0.280 nan 8.360 nan 0.000 0.492 273 Y N 0.319 120.555 120.300 -0.106 0.000 2.545 273 Y HA 0.152 4.702 4.550 -0.000 0.000 0.348 273 Y C -0.121 175.708 175.900 -0.118 0.000 1.002 273 Y CA -1.645 56.399 58.100 -0.092 0.000 1.039 273 Y CB 0.981 39.309 38.460 -0.221 0.000 1.271 273 Y HN -0.072 nan 8.280 nan 0.000 0.467 274 N N 1.841 120.655 118.700 0.189 0.000 2.892 274 N HA 0.227 4.967 4.740 -0.000 0.000 0.300 274 N C -1.150 174.406 175.510 0.075 0.000 1.211 274 N CA 0.180 53.308 53.050 0.130 0.000 1.158 274 N CB -0.261 38.353 38.487 0.211 0.000 1.455 274 N HN 0.450 nan 8.380 nan 0.000 0.524 275 I N 0.415 120.913 120.570 -0.119 0.000 2.412 275 I HA 0.108 4.277 4.170 -0.000 0.000 0.296 275 I C -0.065 175.971 176.117 -0.135 0.000 0.987 275 I CA -1.057 60.114 61.300 -0.215 0.000 1.180 275 I CB 1.474 39.211 38.000 -0.437 0.000 1.340 275 I HN 0.324 nan 8.210 nan 0.000 0.455 276 D N 5.228 125.567 120.400 -0.102 0.000 2.338 276 D HA 0.045 4.685 4.640 -0.000 0.000 0.255 276 D C 0.845 177.050 176.300 -0.158 0.000 1.237 276 D CA -0.008 53.924 54.000 -0.114 0.000 0.883 276 D CB 1.022 41.767 40.800 -0.090 0.000 1.087 276 D HN 0.450 nan 8.370 nan 0.000 0.485 277 E N 2.443 122.553 120.200 -0.150 0.000 2.265 277 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 277 E C 1.051 177.549 176.600 -0.171 0.000 0.996 277 E CA 0.762 57.061 56.400 -0.169 0.000 0.832 277 E CB -0.042 29.574 29.700 -0.140 0.000 0.756 277 E HN 0.392 nan 8.360 nan 0.000 0.491 278 N N 0.688 119.301 118.700 -0.144 0.000 2.494 278 N HA -0.008 4.732 4.740 -0.000 0.000 0.182 278 N C -0.000 175.404 175.510 -0.176 0.000 1.076 278 N CA 0.491 53.464 53.050 -0.127 0.000 0.908 278 N CB 0.289 38.726 38.487 -0.083 0.000 0.967 278 N HN 0.125 nan 8.380 nan 0.000 0.449 279 R N 0.355 120.685 120.500 -0.283 0.000 2.681 279 R HA 0.395 4.735 4.340 -0.000 0.000 0.277 279 R C -0.823 174.987 176.300 -0.817 0.000 1.563 279 R CA -0.226 55.520 56.100 -0.590 0.000 1.673 279 R CB 0.556 30.572 30.300 -0.474 0.000 1.258 279 R HN -0.026 nan 8.270 nan 0.000 0.650 280 I N 1.899 122.142 120.570 -0.545 0.000 2.312 280 I HA 0.258 4.428 4.170 -0.000 0.000 0.290 280 I C -0.549 175.435 176.117 -0.222 0.000 1.008 280 I CA -0.655 60.411 61.300 -0.389 0.000 1.226 280 I CB 0.501 38.345 38.000 -0.259 0.000 1.371 280 I HN 0.159 nan 8.210 nan 0.000 0.468 281 Y N 6.512 126.766 120.300 -0.077 0.000 2.420 281 Y HA 0.649 5.199 4.550 -0.000 0.000 0.334 281 Y C -0.066 175.732 175.900 -0.169 0.000 1.094 281 Y CA -1.302 56.701 58.100 -0.162 0.000 1.126 281 Y CB 1.485 39.706 38.460 -0.398 0.000 1.217 281 Y HN 0.371 nan 8.280 nan 0.000 0.462 282 I N 1.364 121.890 120.570 -0.073 0.000 2.545 282 I HA 0.650 4.820 4.170 -0.000 0.000 0.292 282 I C -0.854 175.129 176.117 -0.223 0.000 1.040 282 I CA -0.065 61.071 61.300 -0.273 0.000 1.068 282 I CB 1.929 39.494 38.000 -0.725 0.000 1.251 282 I HN 0.680 nan 8.210 nan 0.000 0.424 283 T N 4.045 118.509 114.554 -0.151 0.000 2.894 283 T HA 0.877 5.226 4.350 -0.000 0.000 0.309 283 T C -0.884 173.832 174.700 0.027 0.000 1.208 283 T CA -0.151 61.948 62.100 -0.001 0.000 1.016 283 T CB 1.626 70.634 68.868 0.234 0.000 1.192 283 T HN 1.029 nan 8.240 nan 0.000 0.491 284 G N 1.334 110.164 108.800 0.050 0.000 2.506 284 G HA2 0.582 4.542 3.960 -0.000 0.000 0.292 284 G HA3 0.582 4.542 3.960 -0.000 0.000 0.292 284 G C -2.369 172.557 174.900 0.043 0.000 1.425 284 G CA -0.671 44.386 45.100 -0.072 0.000 0.788 284 G HN 0.881 nan 8.290 nan 0.000 0.490 285 L N 1.036 122.260 121.223 0.002 0.000 2.404 285 L HA 0.606 4.946 4.340 -0.000 0.000 0.272 285 L C 1.011 177.918 176.870 0.062 0.000 0.980 285 L CA 0.737 55.586 54.840 0.016 0.000 0.836 285 L CB 1.612 43.584 42.059 -0.144 0.000 1.238 285 L HN 1.304 nan 8.230 nan 0.000 0.408 286 S N 3.213 119.030 115.700 0.195 0.000 4.155 286 S HA -0.407 4.062 4.470 -0.000 0.000 0.552 286 S C 1.349 176.265 174.600 0.526 0.000 1.869 286 S CA 2.145 60.586 58.200 0.402 0.000 4.246 286 S CB -1.109 62.362 63.200 0.452 0.000 0.245 286 S HN 0.852 nan 8.310 nan 0.000 0.461 287 M N 1.249 121.136 119.600 0.479 0.000 2.106 287 M HA -0.073 4.406 4.480 -0.000 0.000 0.259 287 M C 1.938 178.550 176.300 0.521 0.000 1.068 287 M CA 2.581 58.164 55.300 0.472 0.000 1.100 287 M CB -0.902 31.869 32.600 0.285 0.000 1.351 287 M HN 0.669 nan 8.290 nan 0.000 0.404 288 G N -1.323 107.696 108.800 0.365 0.000 2.598 288 G HA2 0.019 3.978 3.960 -0.000 0.000 0.215 288 G HA3 0.019 3.978 3.960 -0.000 0.000 0.215 288 G C 1.234 176.154 174.900 0.034 0.000 1.131 288 G CA 0.610 45.776 45.100 0.110 0.000 0.785 288 G HN 0.627 nan 8.290 nan 0.000 0.539 289 G N 0.445 109.352 108.800 0.178 0.000 2.434 289 G HA2 -0.170 3.789 3.960 -0.000 0.000 0.214 289 G HA3 -0.170 3.789 3.960 -0.000 0.000 0.214 289 G C 1.452 176.472 174.900 0.200 0.000 1.202 289 G CA 0.790 45.968 45.100 0.129 0.000 0.788 289 G HN 0.393 nan 8.290 nan 0.000 0.539 290 Y N 1.325 121.831 120.300 0.343 0.000 2.069 290 Y HA -0.159 4.391 4.550 -0.000 0.000 0.278 290 Y C 3.154 179.240 175.900 0.310 0.000 1.175 290 Y CA 1.227 59.567 58.100 0.401 0.000 1.134 290 Y CB -0.807 37.876 38.460 0.372 0.000 0.965 290 Y HN 0.221 nan 8.280 nan 0.000 0.498 291 G N -0.827 108.217 108.800 0.408 0.000 2.556 291 G HA2 -0.347 3.613 3.960 -0.000 0.000 0.220 291 G HA3 -0.347 3.613 3.960 -0.000 0.000 0.220 291 G C 1.726 176.610 174.900 -0.027 0.000 1.156 291 G CA 1.990 47.192 45.100 0.170 0.000 0.766 291 G HN 0.381 nan 8.290 nan 0.000 0.583 292 T N -0.146 114.333 114.554 -0.124 0.000 2.701 292 T HA -0.134 4.216 4.350 -0.000 0.000 0.263 292 T C 2.018 176.607 174.700 -0.184 0.000 1.040 292 T CA 1.413 63.342 62.100 -0.284 0.000 1.147 292 T CB -0.325 68.306 68.868 -0.396 0.000 0.865 292 T HN 0.554 nan 8.240 nan 0.000 0.426 293 W N 1.390 122.656 121.300 -0.057 0.000 2.335 293 W HA -0.150 4.510 4.660 -0.000 0.000 0.311 293 W C 2.861 179.373 176.519 -0.011 0.000 1.213 293 W CA 1.027 58.341 57.345 -0.052 0.000 1.274 293 W CB -0.914 28.497 29.460 -0.082 0.000 1.148 293 W HN 0.161 nan 8.180 nan 0.000 0.498 294 T N 0.093 114.832 114.554 0.309 0.000 2.720 294 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 294 T C 1.881 176.714 174.700 0.222 0.000 1.037 294 T CA 1.769 64.022 62.100 0.254 0.000 1.144 294 T CB -0.690 68.356 68.868 0.295 0.000 0.864 294 T HN 0.230 nan 8.240 nan 0.000 0.444 295 A N 0.773 123.688 122.820 0.158 0.000 1.968 295 A HA 0.075 4.394 4.320 -0.000 0.000 0.217 295 A C 2.225 180.007 177.584 0.330 0.000 1.169 295 A CA 0.949 53.134 52.037 0.247 0.000 0.638 295 A CB -0.592 18.386 19.000 -0.037 0.000 0.812 295 A HN 0.548 nan 8.150 nan 0.000 0.446 296 I N -1.160 119.481 120.570 0.118 0.000 2.500 296 I HA -0.173 3.996 4.170 -0.000 0.000 0.252 296 I C 2.504 178.742 176.117 0.201 0.000 1.142 296 I CA 1.054 62.465 61.300 0.186 0.000 1.451 296 I CB -0.228 37.807 38.000 0.059 0.000 1.093 296 I HN 0.274 nan 8.210 nan 0.000 0.430 297 M N -0.194 119.506 119.600 0.166 0.000 2.419 297 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 297 M C 1.623 177.940 176.300 0.028 0.000 1.082 297 M CA 1.118 56.480 55.300 0.103 0.000 1.119 297 M CB 0.068 32.725 32.600 0.095 0.000 1.398 297 M HN 0.116 nan 8.290 nan 0.000 0.453 298 E N -0.660 119.541 120.200 0.002 0.000 2.389 298 E HA 0.118 4.468 4.350 -0.000 0.000 0.199 298 E C -0.157 176.074 176.600 -0.615 0.000 0.978 298 E CA 0.620 56.831 56.400 -0.315 0.000 0.912 298 E CB 0.484 29.942 29.700 -0.404 0.000 0.907 298 E HN 0.363 nan 8.360 nan 0.000 0.494 299 F N 1.052 121.079 119.950 0.129 0.000 2.593 299 F HA 0.273 4.799 4.527 -0.000 0.000 0.336 299 F C -1.824 174.041 175.800 0.109 0.000 1.491 299 F CA -1.732 56.324 58.000 0.092 0.000 1.114 299 F CB 1.480 40.531 39.000 0.085 0.000 1.468 299 F HN -0.130 nan 8.300 nan 0.000 0.579 300 P HA -0.078 nan 4.420 nan 0.000 0.237 300 P C 1.044 178.408 177.300 0.107 0.000 1.178 300 P CA 1.115 64.312 63.100 0.161 0.000 0.766 300 P CB 0.416 32.173 31.700 0.095 0.000 0.876 301 E N -0.927 119.311 120.200 0.063 0.000 2.442 301 E HA 0.007 4.357 4.350 -0.000 0.000 0.195 301 E C 1.467 178.032 176.600 -0.057 0.000 1.030 301 E CA 0.044 56.448 56.400 0.008 0.000 0.869 301 E CB -0.070 29.629 29.700 -0.002 0.000 0.857 301 E HN 0.121 nan 8.360 nan 0.000 0.505 302 L N -0.193 120.963 121.223 -0.112 0.000 2.202 302 L HA 0.133 4.473 4.340 -0.000 0.000 0.205 302 L C 0.104 176.679 176.870 -0.492 0.000 1.083 302 L CA 1.129 55.734 54.840 -0.390 0.000 0.790 302 L CB 0.169 41.844 42.059 -0.640 0.000 0.942 302 L HN -0.168 nan 8.230 nan 0.000 0.452 303 F N -1.133 118.800 119.950 -0.028 0.000 2.422 303 F HA 0.523 5.050 4.527 -0.000 0.000 0.333 303 F C 1.214 176.997 175.800 -0.029 0.000 1.095 303 F CA -0.126 57.845 58.000 -0.048 0.000 1.038 303 F CB 1.143 40.126 39.000 -0.029 0.000 1.156 303 F HN -0.083 nan 8.300 nan 0.000 0.483 304 A N 2.095 125.007 122.820 0.155 0.000 2.030 304 A HA 0.671 4.991 4.320 -0.000 0.000 0.215 304 A C 0.736 178.411 177.584 0.152 0.000 1.164 304 A CA 1.008 53.112 52.037 0.111 0.000 0.697 304 A CB -0.150 18.878 19.000 0.045 0.000 0.827 304 A HN 0.844 nan 8.150 nan 0.000 0.457 305 A N -2.264 120.684 122.820 0.214 0.000 2.586 305 A HA 0.754 5.074 4.320 -0.000 0.000 0.290 305 A C -0.918 176.712 177.584 0.078 0.000 1.086 305 A CA 0.012 52.101 52.037 0.086 0.000 0.665 305 A CB 0.276 19.164 19.000 -0.186 0.000 1.279 305 A HN 1.668 nan 8.150 nan 0.000 0.423 306 A N -0.025 122.852 122.820 0.094 0.000 2.520 306 A HA 0.763 5.083 4.320 -0.000 0.000 0.298 306 A C -1.326 176.289 177.584 0.052 0.000 1.051 306 A CA -0.299 51.718 52.037 -0.032 0.000 0.690 306 A CB 0.913 19.794 19.000 -0.198 0.000 1.281 306 A HN 1.008 nan 8.150 nan 0.000 0.402 307 I N 2.988 123.547 120.570 -0.017 0.000 2.537 307 I HA 0.311 4.481 4.170 -0.000 0.000 0.276 307 I C -2.568 173.491 176.117 -0.098 0.000 1.063 307 I CA -1.858 59.457 61.300 0.025 0.000 1.144 307 I CB 2.087 40.162 38.000 0.126 0.000 1.252 307 I HN 0.301 nan 8.210 nan 0.000 0.480 308 P HA 0.345 nan 4.420 nan 0.000 0.287 308 P C -0.469 176.807 177.300 -0.039 0.000 1.294 308 P CA -0.055 62.841 63.100 -0.341 0.000 0.776 308 P CB 0.841 31.928 31.700 -1.022 0.000 0.889 309 I N 4.465 125.054 120.570 0.033 0.000 2.339 309 I HA 0.141 4.311 4.170 -0.000 0.000 0.290 309 I C 0.631 176.811 176.117 0.105 0.000 0.994 309 I CA -0.579 60.789 61.300 0.112 0.000 1.191 309 I CB 0.594 38.641 38.000 0.078 0.000 1.343 309 I HN 0.585 nan 8.210 nan 0.000 0.458 310 C N 3.202 122.497 119.300 -0.007 0.000 3.744 310 C HA -0.086 4.373 4.460 -0.000 0.000 0.290 310 C C 0.695 175.705 174.990 0.035 0.000 1.385 310 C CA -0.319 58.467 59.018 -0.387 0.000 2.099 310 C CB -3.139 24.374 27.740 -0.378 0.000 1.359 310 C HN 1.072 nan 8.230 nan 0.000 0.629 311 G N -0.095 108.787 108.800 0.138 0.000 3.175 311 G HA2 0.983 4.943 3.960 -0.000 0.000 0.255 311 G HA3 0.983 4.943 3.960 -0.000 0.000 0.255 311 G C -0.087 174.650 174.900 -0.272 0.000 1.352 311 G CA -0.186 44.842 45.100 -0.121 0.000 1.037 311 G HN 1.752 nan 8.290 nan 0.000 0.556 312 G N -2.563 105.586 108.800 -1.085 0.000 2.733 312 G HA2 0.804 4.764 3.960 -0.000 0.000 0.288 312 G HA3 0.804 4.764 3.960 -0.000 0.000 0.288 312 G C -0.604 173.941 174.900 -0.592 0.000 1.373 312 G CA 0.037 44.755 45.100 -0.638 0.000 0.895 312 G HN 1.489 nan 8.290 nan 0.000 0.479 313 G N -1.210 107.052 108.800 -0.897 0.000 2.606 313 G HA2 0.454 4.414 3.960 -0.000 0.000 0.300 313 G HA3 0.454 4.414 3.960 -0.000 0.000 0.300 313 G C -1.879 172.066 174.900 -1.590 0.000 1.360 313 G CA -0.521 43.985 45.100 -0.991 0.000 0.783 313 G HN 0.532 nan 8.290 nan 0.000 0.484 314 D N 0.389 120.097 120.400 -1.153 0.000 2.336 314 D HA 0.185 4.825 4.640 -0.000 0.000 0.249 314 D C 1.385 177.417 176.300 -0.447 0.000 1.213 314 D CA -0.231 53.307 54.000 -0.770 0.000 0.870 314 D CB 1.583 42.245 40.800 -0.229 0.000 1.076 314 D HN 0.131 nan 8.370 nan 0.000 0.483 315 V N 3.963 123.641 119.914 -0.393 0.000 2.626 315 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 315 V C 2.106 178.105 176.094 -0.157 0.000 1.067 315 V CA 2.439 64.576 62.300 -0.273 0.000 1.081 315 V CB -0.387 31.292 31.823 -0.239 0.000 0.686 315 V HN 0.695 nan 8.190 nan 0.000 0.468 316 S N -0.641 114.994 115.700 -0.109 0.000 2.493 316 S HA -0.150 4.319 4.470 -0.000 0.000 0.243 316 S C 1.571 176.137 174.600 -0.057 0.000 0.991 316 S CA 1.302 59.465 58.200 -0.060 0.000 0.957 316 S CB -0.416 62.770 63.200 -0.024 0.000 0.756 316 S HN 0.747 nan 8.310 nan 0.000 0.521 317 K N 0.246 120.598 120.400 -0.080 0.000 2.455 317 K HA 0.344 4.664 4.320 -0.000 0.000 0.206 317 K C 0.861 177.434 176.600 -0.045 0.000 1.027 317 K CA -0.013 56.243 56.287 -0.051 0.000 1.113 317 K CB 0.669 33.146 32.500 -0.039 0.000 0.850 317 K HN 0.186 nan 8.250 nan 0.000 0.503 318 V N 1.259 121.133 119.914 -0.068 0.000 2.626 318 V HA -0.195 3.925 4.120 -0.000 0.000 0.252 318 V C 2.155 178.244 176.094 -0.009 0.000 1.067 318 V CA 1.838 64.108 62.300 -0.049 0.000 1.081 318 V CB -0.096 31.670 31.823 -0.094 0.000 0.686 318 V HN 0.325 nan 8.190 nan 0.000 0.468 319 E N 0.496 120.686 120.200 -0.016 0.000 2.153 319 E HA -0.211 4.138 4.350 -0.000 0.000 0.194 319 E C 2.249 178.854 176.600 0.009 0.000 0.988 319 E CA 1.214 57.611 56.400 -0.005 0.000 0.811 319 E CB -0.182 29.511 29.700 -0.012 0.000 0.746 319 E HN 0.483 nan 8.360 nan 0.000 0.466 320 R N -0.105 120.402 120.500 0.011 0.000 2.159 320 R HA -0.070 4.270 4.340 -0.000 0.000 0.237 320 R C 1.936 178.262 176.300 0.043 0.000 1.131 320 R CA 1.600 57.713 56.100 0.021 0.000 0.982 320 R CB -0.392 29.919 30.300 0.018 0.000 0.868 320 R HN 0.447 nan 8.270 nan 0.000 0.453 321 I N -1.588 119.016 120.570 0.057 0.000 3.974 321 I HA 0.114 4.284 4.170 -0.000 0.000 0.334 321 I C 1.161 177.325 176.117 0.078 0.000 1.437 321 I CA -0.266 61.085 61.300 0.085 0.000 1.113 321 I CB 0.239 38.318 38.000 0.131 0.000 1.063 321 I HN -0.041 nan 8.210 nan 0.000 0.400 322 K N 0.401 120.833 120.400 0.053 0.000 2.362 322 K HA -0.151 4.169 4.320 -0.000 0.000 0.202 322 K C 0.227 176.856 176.600 0.048 0.000 1.045 322 K CA 1.641 57.955 56.287 0.044 0.000 0.936 322 K CB -0.258 32.256 32.500 0.024 0.000 0.747 322 K HN 0.295 nan 8.250 nan 0.000 0.467 323 D N 0.589 121.019 120.400 0.051 0.000 2.395 323 D HA 0.235 4.875 4.640 -0.000 0.000 0.213 323 D C -0.100 176.236 176.300 0.060 0.000 1.110 323 D CA -0.030 53.998 54.000 0.047 0.000 0.835 323 D CB 0.346 41.166 40.800 0.034 0.000 0.965 323 D HN 0.228 nan 8.370 nan 0.000 0.505 324 I N 2.247 122.865 120.570 0.081 0.000 2.315 324 I HA 0.236 4.406 4.170 -0.000 0.000 0.291 324 I C -2.290 173.900 176.117 0.122 0.000 1.006 324 I CA -2.150 59.207 61.300 0.095 0.000 1.265 324 I CB 1.522 39.588 38.000 0.111 0.000 1.387 324 I HN -0.393 nan 8.210 nan 0.000 0.475 325 P HA 0.299 nan 4.420 nan 0.000 0.271 325 P C -0.751 176.791 177.300 0.403 0.000 1.220 325 P CA 0.225 63.471 63.100 0.243 0.000 0.768 325 P CB 0.551 32.301 31.700 0.084 0.000 0.848 326 I N 2.818 123.658 120.570 0.450 0.000 2.569 326 I HA 0.397 4.567 4.170 -0.000 0.000 0.290 326 I C -1.064 175.147 176.117 0.156 0.000 1.088 326 I CA -0.554 60.929 61.300 0.306 0.000 1.047 326 I CB 2.337 40.401 38.000 0.108 0.000 1.237 326 I HN 0.333 nan 8.210 nan 0.000 0.421 327 W N 7.622 128.789 121.300 -0.221 0.000 2.424 327 W HA 0.608 5.268 4.660 -0.000 0.000 0.318 327 W C -1.468 174.899 176.519 -0.253 0.000 1.016 327 W CA -1.055 55.996 57.345 -0.490 0.000 1.268 327 W CB 1.205 30.059 29.460 -1.010 0.000 1.297 327 W HN 0.075 nan 8.180 nan 0.000 0.428 328 V N 7.359 127.381 119.914 0.180 0.000 2.607 328 V HA 0.425 4.544 4.120 -0.000 0.000 0.289 328 V C -0.410 175.653 176.094 -0.052 0.000 1.053 328 V CA -0.091 62.322 62.300 0.188 0.000 0.996 328 V CB 0.766 32.791 31.823 0.336 0.000 0.995 328 V HN 0.273 nan 8.190 nan 0.000 0.476 329 F N 2.818 122.858 119.950 0.151 0.000 2.565 329 F HA 0.715 5.242 4.527 -0.000 0.000 0.313 329 F C -0.089 175.828 175.800 0.195 0.000 1.091 329 F CA -0.442 57.574 58.000 0.027 0.000 0.915 329 F CB 1.885 40.803 39.000 -0.136 0.000 1.208 329 F HN 0.490 nan 8.300 nan 0.000 0.453 330 H N 0.921 120.137 119.070 0.244 0.000 3.139 330 H HA 0.580 5.136 4.556 -0.000 0.000 0.325 330 H C -1.591 173.885 175.328 0.246 0.000 1.146 330 H CA -0.889 55.330 56.048 0.286 0.000 1.351 330 H CB 1.828 31.791 29.762 0.335 0.000 2.005 330 H HN 0.829 nan 8.280 nan 0.000 0.517 331 A N 2.411 125.560 122.820 0.548 0.000 2.310 331 A HA 0.303 4.623 4.320 -0.000 0.000 0.299 331 A C 1.394 179.198 177.584 0.367 0.000 1.147 331 A CA 0.137 52.437 52.037 0.438 0.000 0.818 331 A CB 0.721 19.939 19.000 0.364 0.000 1.096 331 A HN 0.827 nan 8.150 nan 0.000 0.495 332 E N 1.609 121.947 120.200 0.231 0.000 2.114 332 E HA -0.241 4.109 4.350 -0.000 0.000 0.199 332 E C 0.432 177.130 176.600 0.164 0.000 1.008 332 E CA 2.288 58.780 56.400 0.154 0.000 0.810 332 E CB -0.081 29.690 29.700 0.118 0.000 0.739 332 E HN 0.680 nan 8.360 nan 0.000 0.456 333 D N 0.051 120.567 120.400 0.193 0.000 2.615 333 D HA 0.063 4.703 4.640 -0.000 0.000 0.236 333 D C -0.545 175.883 176.300 0.212 0.000 1.233 333 D CA -0.339 53.765 54.000 0.173 0.000 0.829 333 D CB -0.425 40.462 40.800 0.146 0.000 1.024 333 D HN 0.083 nan 8.370 nan 0.000 0.490 334 D N 2.234 122.806 120.400 0.287 0.000 2.363 334 D HA 0.014 4.654 4.640 -0.000 0.000 0.263 334 D C -1.449 175.014 176.300 0.272 0.000 1.258 334 D CA -1.245 52.967 54.000 0.353 0.000 0.907 334 D CB 1.622 42.755 40.800 0.555 0.000 1.107 334 D HN 0.069 nan 8.370 nan 0.000 0.495 335 P HA 0.039 nan 4.420 nan 0.000 0.261 335 P C 0.955 178.325 177.300 0.116 0.000 1.268 335 P CA -0.015 63.171 63.100 0.143 0.000 0.833 335 P CB 0.814 32.581 31.700 0.111 0.000 1.231 336 V N -0.880 119.095 119.914 0.103 0.000 2.599 336 V HA 0.088 4.208 4.120 -0.000 0.000 0.237 336 V C 1.017 177.222 176.094 0.185 0.000 1.081 336 V CA 0.721 63.041 62.300 0.034 0.000 1.107 336 V CB 0.070 31.662 31.823 -0.386 0.000 0.808 336 V HN -0.214 nan 8.190 nan 0.000 0.486 337 V N 2.803 122.915 119.914 0.329 0.000 2.334 337 V HA 0.389 4.509 4.120 -0.000 0.000 0.281 337 V C -2.627 173.764 176.094 0.495 0.000 1.016 337 V CA -1.993 60.586 62.300 0.464 0.000 0.832 337 V CB 1.003 33.188 31.823 0.603 0.000 0.999 337 V HN 0.311 nan 8.190 nan 0.000 0.439 338 P HA -0.002 nan 4.420 nan 0.000 0.264 338 P C 1.008 178.337 177.300 0.048 0.000 1.193 338 P CA 0.372 63.587 63.100 0.192 0.000 0.763 338 P CB 0.982 32.763 31.700 0.134 0.000 0.810 339 V N 3.280 123.090 119.914 -0.173 0.000 2.469 339 V HA -0.259 3.860 4.120 -0.000 0.000 0.251 339 V C 2.071 177.949 176.094 -0.361 0.000 1.064 339 V CA 2.319 64.219 62.300 -0.667 0.000 1.066 339 V CB -0.916 30.756 31.823 -0.251 0.000 0.667 339 V HN 0.512 nan 8.190 nan 0.000 0.461 340 E N 0.962 121.080 120.200 -0.137 0.000 2.209 340 E HA -0.226 4.123 4.350 -0.000 0.000 0.196 340 E C 1.757 178.301 176.600 -0.093 0.000 0.993 340 E CA 2.070 58.419 56.400 -0.085 0.000 0.819 340 E CB -0.666 29.015 29.700 -0.032 0.000 0.745 340 E HN 0.855 nan 8.360 nan 0.000 0.477 341 N N -0.888 117.784 118.700 -0.047 0.000 2.223 341 N HA -0.096 4.643 4.740 -0.000 0.000 0.185 341 N C 1.530 176.975 175.510 -0.109 0.000 1.016 341 N CA 1.100 54.131 53.050 -0.032 0.000 0.863 341 N CB 0.004 38.552 38.487 0.101 0.000 0.983 341 N HN 0.041 nan 8.380 nan 0.000 0.429 342 S N 0.669 116.349 115.700 -0.033 0.000 2.388 342 S HA 0.058 4.528 4.470 -0.000 0.000 0.223 342 S C 1.748 176.158 174.600 -0.317 0.000 1.034 342 S CA 0.455 58.635 58.200 -0.034 0.000 0.963 342 S CB 0.027 63.389 63.200 0.268 0.000 0.827 342 S HN 0.259 nan 8.310 nan 0.000 0.481 343 R N 0.662 120.978 120.500 -0.306 0.000 2.091 343 R HA -0.071 4.269 4.340 -0.000 0.000 0.238 343 R C 2.319 178.447 176.300 -0.287 0.000 1.136 343 R CA 1.366 57.259 56.100 -0.345 0.000 0.959 343 R CB -0.842 29.356 30.300 -0.169 0.000 0.856 343 R HN 0.266 nan 8.270 nan 0.000 0.437 344 V N 1.313 121.086 119.914 -0.236 0.000 2.343 344 V HA -0.191 3.929 4.120 -0.000 0.000 0.247 344 V C 2.003 177.931 176.094 -0.276 0.000 1.051 344 V CA 1.654 63.825 62.300 -0.216 0.000 1.036 344 V CB -0.170 31.551 31.823 -0.170 0.000 0.654 344 V HN 0.267 nan 8.190 nan 0.000 0.451 345 L N -0.782 120.208 121.223 -0.389 0.000 2.056 345 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 345 L C 2.499 179.186 176.870 -0.305 0.000 1.078 345 L CA 1.344 55.898 54.840 -0.475 0.000 0.749 345 L CB -0.711 40.785 42.059 -0.939 0.000 0.901 345 L HN 0.211 nan 8.230 nan 0.000 0.433 346 V N 0.239 119.976 119.914 -0.296 0.000 2.343 346 V HA -0.324 3.795 4.120 -0.000 0.000 0.247 346 V C 2.602 178.584 176.094 -0.187 0.000 1.051 346 V CA 2.040 64.194 62.300 -0.244 0.000 1.036 346 V CB -0.535 30.993 31.823 -0.491 0.000 0.654 346 V HN 0.451 nan 8.190 nan 0.000 0.451 347 K N 0.296 120.578 120.400 -0.197 0.000 2.026 347 K HA -0.262 4.058 4.320 -0.000 0.000 0.208 347 K C 2.261 178.795 176.600 -0.110 0.000 1.048 347 K CA 1.919 58.125 56.287 -0.136 0.000 0.929 347 K CB -0.147 32.279 32.500 -0.125 0.000 0.713 347 K HN 0.245 nan 8.250 nan 0.000 0.439 348 K N 0.607 120.931 120.400 -0.126 0.000 2.026 348 K HA -0.133 4.187 4.320 -0.000 0.000 0.208 348 K C 2.005 178.558 176.600 -0.079 0.000 1.048 348 K CA 1.052 57.277 56.287 -0.103 0.000 0.929 348 K CB -0.399 32.027 32.500 -0.124 0.000 0.713 348 K HN 0.083 nan 8.250 nan 0.000 0.439 349 L N 0.498 121.673 121.223 -0.080 0.000 1.989 349 L HA -0.122 4.218 4.340 -0.000 0.000 0.211 349 L C 2.205 179.057 176.870 -0.029 0.000 1.071 349 L CA 2.282 57.101 54.840 -0.035 0.000 0.749 349 L CB -1.270 40.789 42.059 -0.001 0.000 0.890 349 L HN 0.297 nan 8.230 nan 0.000 0.431 350 A N -0.291 122.503 122.820 -0.044 0.000 1.883 350 A HA -0.253 4.067 4.320 -0.000 0.000 0.217 350 A C 2.051 179.614 177.584 -0.036 0.000 1.186 350 A CA 1.866 53.879 52.037 -0.041 0.000 0.624 350 A CB -0.809 18.158 19.000 -0.054 0.000 0.822 350 A HN 0.700 nan 8.150 nan 0.000 0.444 351 E N -1.248 118.927 120.200 -0.042 0.000 2.478 351 E HA -0.037 4.312 4.350 -0.000 0.000 0.198 351 E C 0.905 177.487 176.600 -0.029 0.000 1.046 351 E CA 0.545 56.923 56.400 -0.036 0.000 0.870 351 E CB -0.020 29.656 29.700 -0.040 0.000 0.818 351 E HN 0.434 nan 8.360 nan 0.000 0.527 352 I N 0.497 121.051 120.570 -0.026 0.000 4.082 352 I HA 0.227 4.397 4.170 -0.000 0.000 0.337 352 I C 1.184 177.294 176.117 -0.011 0.000 1.352 352 I CA 0.745 62.033 61.300 -0.020 0.000 1.097 352 I CB 0.402 38.389 38.000 -0.023 0.000 1.048 352 I HN 0.364 nan 8.210 nan 0.000 0.393 353 G N 0.455 109.249 108.800 -0.011 0.000 2.179 353 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.220 353 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.220 353 G C 0.985 175.887 174.900 0.004 0.000 0.990 353 G CA 0.119 45.216 45.100 -0.004 0.000 0.646 353 G HN 0.900 nan 8.290 nan 0.000 0.517 354 G N 0.634 109.437 108.800 0.006 0.000 2.536 354 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.280 354 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.280 354 G C 0.466 175.387 174.900 0.035 0.000 1.152 354 G CA 0.988 46.095 45.100 0.012 0.000 0.970 354 G HN 1.606 nan 8.290 nan 0.000 0.549 355 K N -1.993 118.428 120.400 0.035 0.000 3.224 355 K HA -0.022 4.298 4.320 -0.000 0.000 0.270 355 K C -0.444 176.208 176.600 0.086 0.000 1.165 355 K CA 0.746 57.075 56.287 0.070 0.000 0.801 355 K CB -1.731 30.822 32.500 0.088 0.000 1.286 355 K HN 1.437 nan 8.250 nan 0.000 0.500 356 V N 0.768 120.695 119.914 0.021 0.000 2.588 356 V HA 0.494 4.614 4.120 -0.000 0.000 0.304 356 V C -0.176 175.825 176.094 -0.155 0.000 1.042 356 V CA -0.715 61.577 62.300 -0.014 0.000 0.877 356 V CB 1.594 33.423 31.823 0.010 0.000 0.996 356 V HN 0.317 nan 8.190 nan 0.000 0.425 357 R N 4.112 124.417 120.500 -0.325 0.000 2.700 357 R HA 0.649 4.989 4.340 -0.000 0.000 0.253 357 R C -1.825 174.277 176.300 -0.331 0.000 1.091 357 R CA -0.710 55.013 56.100 -0.627 0.000 1.104 357 R CB 1.814 31.167 30.300 -1.580 0.000 1.202 357 R HN 0.665 nan 8.270 nan 0.000 0.532 358 Y N -0.463 119.527 120.300 -0.517 0.000 2.333 358 Y HA 0.216 4.766 4.550 -0.000 0.000 0.319 358 Y C -1.632 174.098 175.900 -0.284 0.000 1.200 358 Y CA -0.531 57.397 58.100 -0.287 0.000 1.084 358 Y CB 2.017 40.367 38.460 -0.182 0.000 1.268 358 Y HN 0.474 nan 8.280 nan 0.000 0.422 359 T N 6.092 120.199 114.554 -0.746 0.000 2.833 359 T HA 0.244 4.594 4.350 -0.000 0.000 0.297 359 T C -0.987 173.060 174.700 -1.089 0.000 1.015 359 T CA -0.580 61.050 62.100 -0.783 0.000 0.963 359 T CB 0.714 69.195 68.868 -0.644 0.000 0.955 359 T HN 0.597 nan 8.240 nan 0.000 0.449 360 E N 3.776 123.353 120.200 -1.038 0.000 2.070 360 E HA 0.242 4.592 4.350 -0.000 0.000 0.261 360 E C -0.751 175.577 176.600 -0.453 0.000 0.926 360 E CA -0.707 55.247 56.400 -0.743 0.000 0.760 360 E CB 0.349 29.689 29.700 -0.599 0.000 1.133 360 E HN 0.520 nan 8.360 nan 0.000 0.420 361 Y N 2.216 122.392 120.300 -0.207 0.000 2.881 361 Y HA -0.123 4.427 4.550 -0.000 0.000 0.335 361 Y C 0.952 176.800 175.900 -0.087 0.000 1.263 361 Y CA 0.503 58.458 58.100 -0.242 0.000 1.572 361 Y CB 0.076 38.423 38.460 -0.188 0.000 1.237 361 Y HN 0.450 nan 8.280 nan 0.000 0.568 362 E N 2.804 123.041 120.200 0.061 0.000 2.415 362 E HA -0.046 4.304 4.350 -0.000 0.000 0.262 362 E C 0.141 176.860 176.600 0.197 0.000 1.038 362 E CA -0.420 56.049 56.400 0.115 0.000 0.921 362 E CB 0.518 30.289 29.700 0.118 0.000 0.950 362 E HN 0.441 nan 8.360 nan 0.000 0.438 363 K N 0.889 121.379 120.400 0.149 0.000 2.527 363 K HA -0.102 4.218 4.320 -0.000 0.000 0.278 363 K C 0.913 177.609 176.600 0.160 0.000 0.981 363 K CA 1.083 57.458 56.287 0.147 0.000 1.009 363 K CB 0.102 32.665 32.500 0.105 0.000 0.895 363 K HN 0.727 nan 8.250 nan 0.000 0.493 364 G N 4.124 113.014 108.800 0.149 0.000 2.304 364 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.252 364 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.252 364 G C 0.652 175.639 174.900 0.144 0.000 1.014 364 G CA 0.477 45.648 45.100 0.117 0.000 0.619 364 G HN 0.734 nan 8.290 nan 0.000 0.525 365 F N 1.546 121.549 119.950 0.088 0.000 2.065 365 F HA -0.107 4.420 4.527 -0.000 0.000 0.298 365 F C 2.850 178.721 175.800 0.118 0.000 1.112 365 F CA 2.984 61.058 58.000 0.122 0.000 1.212 365 F CB -0.188 38.902 39.000 0.150 0.000 0.975 365 F HN 0.196 nan 8.300 nan 0.000 0.476 366 M N 0.029 119.759 119.600 0.216 0.000 2.067 366 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 366 M C 2.155 178.422 176.300 -0.054 0.000 1.069 366 M CA 1.799 57.174 55.300 0.126 0.000 1.117 366 M CB -1.453 31.276 32.600 0.214 0.000 1.334 366 M HN 0.227 nan 8.290 nan 0.000 0.407 367 E N 0.337 120.526 120.200 -0.019 0.000 2.153 367 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 367 E C 1.999 178.491 176.600 -0.180 0.000 0.988 367 E CA 1.106 57.464 56.400 -0.070 0.000 0.811 367 E CB -0.158 29.534 29.700 -0.014 0.000 0.746 367 E HN 0.408 nan 8.360 nan 0.000 0.466 368 K N 0.293 120.570 120.400 -0.206 0.000 2.209 368 K HA -0.179 4.141 4.320 -0.000 0.000 0.204 368 K C 1.201 177.454 176.600 -0.578 0.000 1.048 368 K CA 1.272 57.362 56.287 -0.328 0.000 0.940 368 K CB 0.042 32.369 32.500 -0.287 0.000 0.729 368 K HN 0.305 nan 8.250 nan 0.000 0.451 369 H N -1.420 117.189 119.070 -0.769 0.000 2.586 369 H HA 0.127 4.683 4.556 -0.000 0.000 0.273 369 H C 0.571 175.102 175.328 -1.328 0.000 0.997 369 H CA 0.593 55.927 56.048 -1.190 0.000 1.177 369 H CB 1.164 29.754 29.762 -1.953 0.000 1.471 369 H HN 0.529 nan 8.280 nan 0.000 0.538 370 G N 0.866 109.248 108.800 -0.697 0.000 2.132 370 G HA2 -0.194 3.765 3.960 -0.000 0.000 0.228 370 G HA3 -0.194 3.765 3.960 -0.000 0.000 0.228 370 G C -0.492 174.276 174.900 -0.218 0.000 1.000 370 G CA -0.216 44.628 45.100 -0.426 0.000 0.693 370 G HN 0.180 nan 8.290 nan 0.000 0.515 371 W N 0.564 121.823 121.300 -0.069 0.000 2.666 371 W HA 0.588 5.248 4.660 -0.000 0.000 0.334 371 W C 0.050 176.531 176.519 -0.064 0.000 1.051 371 W CA -1.922 55.367 57.345 -0.093 0.000 1.224 371 W CB 0.931 30.289 29.460 -0.170 0.000 1.405 371 W HN 0.187 nan 8.180 nan 0.000 0.513 372 D N 3.907 124.409 120.400 0.170 0.000 2.493 372 D HA -0.007 4.633 4.640 -0.000 0.000 0.240 372 D C -1.123 175.237 176.300 0.099 0.000 1.142 372 D CA -1.289 52.790 54.000 0.131 0.000 0.872 372 D CB 1.344 42.241 40.800 0.162 0.000 1.173 372 D HN -0.004 nan 8.370 nan 0.000 0.467 373 P HA -0.105 nan 4.420 nan 0.000 0.244 373 P C 0.563 177.956 177.300 0.155 0.000 1.211 373 P CA 0.713 63.897 63.100 0.139 0.000 0.760 373 P CB -0.005 31.795 31.700 0.166 0.000 0.961 374 H N 0.414 119.495 119.070 0.019 0.000 2.525 374 H HA 0.203 4.759 4.556 -0.000 0.000 0.275 374 H C 1.747 176.916 175.328 -0.264 0.000 0.984 374 H CA 1.033 57.106 56.048 0.042 0.000 1.264 374 H CB -0.593 29.272 29.762 0.171 0.000 1.432 374 H HN 0.011 nan 8.280 nan 0.000 0.549 375 G N 0.103 108.478 108.800 -0.709 0.000 3.374 375 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.252 375 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.252 375 G C 1.115 175.109 174.900 -1.511 0.000 1.326 375 G CA 0.350 44.338 45.100 -1.853 0.000 1.133 375 G HN 0.476 nan 8.290 nan 0.000 0.528 376 S N -0.340 114.886 115.700 -0.790 0.000 2.493 376 S HA -0.179 4.291 4.470 -0.000 0.000 0.243 376 S C 1.834 176.209 174.600 -0.375 0.000 0.991 376 S CA 1.027 58.984 58.200 -0.405 0.000 0.957 376 S CB -0.582 62.636 63.200 0.029 0.000 0.756 376 S HN 0.835 nan 8.310 nan 0.000 0.521 377 W N 1.352 122.480 121.300 -0.286 0.000 2.465 377 W HA 0.229 4.889 4.660 -0.000 0.000 0.268 377 W C 1.259 177.510 176.519 -0.447 0.000 1.242 377 W CA -0.273 56.831 57.345 -0.402 0.000 1.248 377 W CB -0.753 28.622 29.460 -0.141 0.000 1.118 377 W HN 0.189 nan 8.180 nan 0.000 0.587 378 I N 2.244 122.381 120.570 -0.722 0.000 2.133 378 I HA -0.192 3.978 4.170 -0.000 0.000 0.238 378 I C -0.021 175.652 176.117 -0.739 0.000 1.074 378 I CA 1.316 62.159 61.300 -0.762 0.000 1.342 378 I CB -1.697 35.507 38.000 -1.325 0.000 1.053 378 I HN -0.194 nan 8.210 nan 0.000 0.404 379 P HA -0.072 nan 4.420 nan 0.000 0.223 379 P C 1.445 178.517 177.300 -0.380 0.000 1.151 379 P CA 1.409 64.204 63.100 -0.509 0.000 0.787 379 P CB -0.187 31.264 31.700 -0.416 0.000 0.788 380 T N -0.877 113.361 114.554 -0.527 0.000 2.812 380 T HA -0.115 4.235 4.350 -0.000 0.000 0.264 380 T C 1.431 175.691 174.700 -0.733 0.000 1.042 380 T CA 1.325 62.923 62.100 -0.837 0.000 1.140 380 T CB -0.858 67.242 68.868 -1.280 0.000 0.870 380 T HN 0.062 nan 8.240 nan 0.000 0.445 381 Y N 1.405 121.461 120.300 -0.407 0.000 2.561 381 Y HA 0.137 4.687 4.550 -0.000 0.000 0.291 381 Y C 2.120 177.810 175.900 -0.350 0.000 1.141 381 Y CA 0.006 57.860 58.100 -0.410 0.000 1.303 381 Y CB -0.106 38.132 38.460 -0.370 0.000 1.015 381 Y HN 0.146 nan 8.280 nan 0.000 0.547 382 E N -0.114 119.982 120.200 -0.174 0.000 2.465 382 E HA -0.011 4.339 4.350 -0.000 0.000 0.191 382 E C -0.071 176.491 176.600 -0.062 0.000 1.053 382 E CA 0.048 56.391 56.400 -0.095 0.000 0.869 382 E CB -0.258 29.393 29.700 -0.081 0.000 0.977 382 E HN 0.219 nan 8.360 nan 0.000 0.483 383 N N 1.821 120.439 118.700 -0.137 0.000 2.527 383 N HA -0.021 4.718 4.740 -0.000 0.000 0.236 383 N C 0.748 176.230 175.510 -0.046 0.000 0.999 383 N CA 0.013 53.013 53.050 -0.083 0.000 0.935 383 N CB 0.971 39.364 38.487 -0.157 0.000 1.132 383 N HN -0.055 nan 8.380 nan 0.000 0.511 384 Q N 2.211 122.054 119.800 0.072 0.000 2.226 384 Q HA -0.179 4.161 4.340 -0.000 0.000 0.204 384 Q C 1.058 177.159 176.000 0.169 0.000 0.975 384 Q CA 1.327 57.226 55.803 0.159 0.000 0.866 384 Q CB 0.195 29.075 28.738 0.236 0.000 0.915 384 Q HN 0.773 nan 8.270 nan 0.000 0.440 385 E N -0.569 119.731 120.200 0.167 0.000 2.110 385 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 385 E C 1.657 178.442 176.600 0.309 0.000 0.988 385 E CA 0.993 57.550 56.400 0.261 0.000 0.804 385 E CB -0.045 29.842 29.700 0.311 0.000 0.745 385 E HN 0.477 nan 8.360 nan 0.000 0.458 386 A N 0.415 123.276 122.820 0.069 0.000 1.930 386 A HA -0.074 4.246 4.320 -0.000 0.000 0.215 386 A C 1.973 179.678 177.584 0.202 0.000 1.176 386 A CA 0.678 52.701 52.037 -0.022 0.000 0.632 386 A CB -0.344 18.309 19.000 -0.578 0.000 0.819 386 A HN 0.216 nan 8.150 nan 0.000 0.445 387 I N 0.477 121.091 120.570 0.072 0.000 2.091 387 I HA -0.261 3.909 4.170 -0.000 0.000 0.239 387 I C 2.416 178.700 176.117 0.277 0.000 1.061 387 I CA 1.718 63.090 61.300 0.120 0.000 1.317 387 I CB -0.392 37.402 38.000 -0.343 0.000 1.031 387 I HN 0.248 nan 8.210 nan 0.000 0.401 388 E N -0.718 119.646 120.200 0.274 0.000 2.085 388 E HA -0.285 4.065 4.350 -0.000 0.000 0.194 388 E C 1.948 178.718 176.600 0.283 0.000 0.994 388 E CA 1.343 57.923 56.400 0.301 0.000 0.801 388 E CB -0.736 29.161 29.700 0.328 0.000 0.743 388 E HN 0.666 nan 8.360 nan 0.000 0.453 389 W N 1.514 122.912 121.300 0.163 0.000 2.318 389 W HA -0.254 4.406 4.660 -0.000 0.000 0.313 389 W C 2.184 178.697 176.519 -0.010 0.000 1.221 389 W CA 1.876 59.311 57.345 0.149 0.000 1.266 389 W CB -0.519 29.140 29.460 0.332 0.000 1.150 389 W HN 0.158 nan 8.180 nan 0.000 0.496 390 L N 0.156 121.376 121.223 -0.006 0.000 2.012 390 L HA -0.164 4.175 4.340 -0.000 0.000 0.210 390 L C 2.218 178.415 176.870 -1.122 0.000 1.073 390 L CA 2.064 56.475 54.840 -0.715 0.000 0.748 390 L CB -1.182 40.495 42.059 -0.637 0.000 0.891 390 L HN 0.015 nan 8.230 nan 0.000 0.431 391 F N 0.032 119.664 119.950 -0.530 0.000 2.641 391 F HA -0.063 4.464 4.527 -0.000 0.000 0.298 391 F C 2.086 177.791 175.800 -0.157 0.000 1.146 391 F CA 0.776 58.572 58.000 -0.340 0.000 1.464 391 F CB -0.521 38.169 39.000 -0.516 0.000 1.101 391 F HN 0.244 nan 8.300 nan 0.000 0.585 392 E N -0.578 119.549 120.200 -0.122 0.000 2.489 392 E HA -0.022 4.328 4.350 -0.000 0.000 0.193 392 E C 0.602 177.103 176.600 -0.165 0.000 1.057 392 E CA -0.002 56.348 56.400 -0.084 0.000 0.866 392 E CB 0.101 29.753 29.700 -0.080 0.000 0.916 392 E HN 0.269 nan 8.360 nan 0.000 0.500 393 Q N 0.108 119.748 119.800 -0.268 0.000 2.221 393 Q HA 0.487 4.827 4.340 -0.000 0.000 0.242 393 Q C -0.287 175.756 176.000 0.072 0.000 0.940 393 Q CA -0.252 55.443 55.803 -0.181 0.000 0.896 393 Q CB 2.057 30.568 28.738 -0.379 0.000 1.226 393 Q HN -0.054 nan 8.270 nan 0.000 0.463 394 S N -0.594 115.123 115.700 0.028 0.000 2.643 394 S HA 0.577 5.047 4.470 -0.000 0.000 0.266 394 S C -1.333 173.265 174.600 -0.003 0.000 1.130 394 S CA -0.692 57.522 58.200 0.022 0.000 0.817 394 S CB 1.232 64.442 63.200 0.017 0.000 1.107 394 S HN 0.549 nan 8.310 nan 0.000 0.471 395 R N 0.000 120.488 120.500 -0.020 0.000 2.786 395 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 395 R CA 0.000 56.088 56.100 -0.019 0.000 0.921 395 R CB 0.000 30.281 30.300 -0.032 0.000 0.687 395 R HN 0.000 nan 8.270 nan 0.000 0.535