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 1v55_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.838 175.800 0.063 0.000 0.967 2 F CA 0.000 58.069 58.000 0.115 0.000 1.383 2 F CB 0.000 39.065 39.000 0.109 0.000 1.145 3 I N 1.402 122.027 120.570 0.092 0.000 2.202 3 I HA -0.251 3.919 4.170 -0.000 0.000 0.242 3 I C 1.687 177.494 176.117 -0.517 0.000 1.091 3 I CA 1.790 62.963 61.300 -0.211 0.000 1.368 3 I CB -0.503 37.334 38.000 -0.271 0.000 1.058 3 I HN 0.258 nan 8.210 nan 0.000 0.410 4 N N 0.646 119.122 118.700 -0.374 0.000 2.104 4 N HA -0.209 4.531 4.740 -0.000 0.000 0.190 4 N C 1.898 177.271 175.510 -0.229 0.000 1.024 4 N CA 1.265 54.166 53.050 -0.249 0.000 0.853 4 N CB -0.286 38.151 38.487 -0.084 0.000 1.008 4 N HN 0.240 nan 8.380 nan 0.000 0.424 5 R N -1.107 119.178 120.500 -0.359 0.000 2.075 5 R HA -0.033 4.307 4.340 -0.000 0.000 0.226 5 R C 1.123 176.906 176.300 -0.861 0.000 1.114 5 R CA 1.170 56.893 56.100 -0.629 0.000 0.972 5 R CB -0.100 29.709 30.300 -0.819 0.000 0.869 5 R HN 0.303 nan 8.270 nan 0.000 0.437 6 W N -1.037 120.054 121.300 -0.348 0.000 3.107 6 W HA 0.177 4.837 4.660 -0.000 0.000 0.293 6 W C 1.063 177.586 176.519 0.007 0.000 1.239 6 W CA -0.546 56.626 57.345 -0.289 0.000 1.653 6 W CB 0.448 29.524 29.460 -0.641 0.000 1.068 6 W HN 0.077 nan 8.180 nan 0.000 0.615 7 L N -1.768 119.484 121.223 0.049 0.000 2.609 7 L HA 0.232 4.572 4.340 -0.000 0.000 0.230 7 L C 0.700 177.769 176.870 0.332 0.000 1.064 7 L CA 0.861 55.753 54.840 0.087 0.000 0.873 7 L CB -0.354 41.522 42.059 -0.305 0.000 1.139 7 L HN -0.171 nan 8.230 nan 0.000 0.490 8 F N -1.147 118.813 119.950 0.017 0.000 2.772 8 F HA 0.402 4.929 4.527 -0.000 0.000 0.302 8 F C 1.201 176.995 175.800 -0.010 0.000 1.136 8 F CA -1.128 56.872 58.000 -0.001 0.000 1.322 8 F CB -0.895 38.083 39.000 -0.037 0.000 0.967 8 F HN -0.203 nan 8.300 nan 0.000 0.513 9 S N 0.928 116.721 115.700 0.154 0.000 2.563 9 S HA 0.218 4.688 4.470 -0.000 0.000 0.284 9 S C 1.084 175.698 174.600 0.023 0.000 1.331 9 S CA 0.696 58.896 58.200 0.000 0.000 1.047 9 S CB 0.383 63.507 63.200 -0.127 0.000 0.859 9 S HN 0.482 nan 8.310 nan 0.000 0.514 10 T N 1.050 115.588 114.554 -0.026 0.000 3.460 10 T HA 0.301 4.651 4.350 -0.000 0.000 0.304 10 T C -0.304 174.336 174.700 -0.100 0.000 0.991 10 T CA -0.703 61.383 62.100 -0.023 0.000 0.975 10 T CB -0.468 68.412 68.868 0.020 0.000 1.196 10 T HN 0.526 nan 8.240 nan 0.000 0.490 11 N N 1.445 120.009 118.700 -0.225 0.000 2.392 11 N HA 0.170 4.910 4.740 -0.000 0.000 0.283 11 N C 1.008 176.268 175.510 -0.417 0.000 1.003 11 N CA -0.272 52.516 53.050 -0.436 0.000 0.892 11 N CB 1.565 39.526 38.487 -0.877 0.000 1.193 11 N HN 0.583 nan 8.380 nan 0.000 0.487 12 H N 3.194 122.005 119.070 -0.432 0.000 2.421 12 H HA -0.000 4.556 4.556 -0.000 0.000 0.298 12 H C 1.011 175.968 175.328 -0.618 0.000 1.087 12 H CA 1.408 57.209 56.048 -0.411 0.000 1.330 12 H CB 0.357 29.924 29.762 -0.324 0.000 1.388 12 H HN 0.491 nan 8.280 nan 0.000 0.526 13 K N 0.312 119.812 120.400 -1.500 0.000 2.031 13 K HA -0.092 4.228 4.320 -0.000 0.000 0.205 13 K C 1.679 177.558 176.600 -1.201 0.000 1.049 13 K CA 1.308 56.435 56.287 -1.933 0.000 0.939 13 K CB 0.047 31.358 32.500 -1.981 0.000 0.717 13 K HN 0.277 nan 8.250 nan 0.000 0.438 14 D N 1.214 121.148 120.400 -0.777 0.000 2.117 14 D HA -0.119 4.521 4.640 -0.000 0.000 0.197 14 D C 1.898 178.034 176.300 -0.272 0.000 0.987 14 D CA 1.019 54.775 54.000 -0.407 0.000 0.829 14 D CB -0.192 40.211 40.800 -0.662 0.000 0.961 14 D HN 0.147 nan 8.370 nan 0.000 0.460 15 I N 0.704 121.060 120.570 -0.356 0.000 2.226 15 I HA -0.151 4.019 4.170 -0.000 0.000 0.245 15 I C 2.484 178.516 176.117 -0.142 0.000 1.100 15 I CA 1.264 62.403 61.300 -0.268 0.000 1.374 15 I CB -0.375 37.540 38.000 -0.141 0.000 1.057 15 I HN 0.023 nan 8.210 nan 0.000 0.413 16 G N -0.050 108.627 108.800 -0.204 0.000 2.432 16 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 16 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 16 G C 1.652 176.582 174.900 0.050 0.000 1.135 16 G CA 1.293 46.363 45.100 -0.051 0.000 0.767 16 G HN 0.272 nan 8.290 nan 0.000 0.550 17 T N 1.318 115.867 114.554 -0.008 0.000 2.737 17 T HA -0.017 4.333 4.350 -0.000 0.000 0.265 17 T C 2.435 177.126 174.700 -0.014 0.000 1.038 17 T CA 0.807 62.984 62.100 0.128 0.000 1.144 17 T CB -0.201 68.797 68.868 0.217 0.000 0.866 17 T HN 0.157 nan 8.240 nan 0.000 0.434 18 L N -0.471 120.618 121.223 -0.223 0.000 2.042 18 L HA -0.141 4.199 4.340 -0.000 0.000 0.210 18 L C 2.390 178.993 176.870 -0.445 0.000 1.076 18 L CA 1.554 56.033 54.840 -0.601 0.000 0.749 18 L CB -0.623 40.570 42.059 -1.443 0.000 0.893 18 L HN 0.265 nan 8.230 nan 0.000 0.432 19 Y N -0.083 120.036 120.300 -0.301 0.000 2.181 19 Y HA -0.234 4.316 4.550 -0.000 0.000 0.288 19 Y C 2.422 178.448 175.900 0.211 0.000 1.146 19 Y CA 1.345 59.515 58.100 0.116 0.000 1.164 19 Y CB -0.350 38.176 38.460 0.109 0.000 0.982 19 Y HN 0.044 nan 8.280 nan 0.000 0.515 20 L N -0.952 120.430 121.223 0.265 0.000 2.046 20 L HA -0.257 4.083 4.340 -0.000 0.000 0.208 20 L C 2.255 179.268 176.870 0.239 0.000 1.077 20 L CA 1.189 56.154 54.840 0.207 0.000 0.747 20 L CB -0.736 41.408 42.059 0.141 0.000 0.896 20 L HN 0.261 nan 8.230 nan 0.000 0.432 21 L N -1.295 120.055 121.223 0.211 0.000 2.017 21 L HA -0.250 4.090 4.340 -0.000 0.000 0.208 21 L C 2.555 179.603 176.870 0.296 0.000 1.073 21 L CA 1.380 56.341 54.840 0.203 0.000 0.745 21 L CB -0.535 41.586 42.059 0.104 0.000 0.894 21 L HN 0.153 nan 8.230 nan 0.000 0.432 22 F N 0.728 120.815 119.950 0.229 0.000 2.102 22 F HA -0.155 4.372 4.527 -0.000 0.000 0.298 22 F C 2.226 178.257 175.800 0.385 0.000 1.105 22 F CA 1.686 59.881 58.000 0.324 0.000 1.239 22 F CB -0.541 38.703 39.000 0.407 0.000 0.991 22 F HN -0.010 nan 8.300 nan 0.000 0.474 23 G N -0.397 108.710 108.800 0.512 0.000 2.422 23 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 23 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 23 G C 1.791 176.816 174.900 0.208 0.000 1.146 23 G CA 0.738 46.057 45.100 0.365 0.000 0.769 23 G HN 0.614 nan 8.290 nan 0.000 0.547 24 A N 0.018 122.948 122.820 0.185 0.000 1.877 24 A HA -0.069 4.251 4.320 -0.000 0.000 0.216 24 A C 2.161 179.819 177.584 0.124 0.000 1.186 24 A CA 1.597 53.696 52.037 0.104 0.000 0.620 24 A CB -0.786 18.266 19.000 0.087 0.000 0.822 24 A HN 0.526 nan 8.150 nan 0.000 0.443 25 W N 0.505 121.802 121.300 -0.005 0.000 2.355 25 W HA -0.131 4.529 4.660 -0.000 0.000 0.309 25 W C 2.542 179.056 176.519 -0.008 0.000 1.206 25 W CA 2.346 59.671 57.345 -0.032 0.000 1.284 25 W CB -0.196 29.217 29.460 -0.078 0.000 1.145 25 W HN 0.363 nan 8.180 nan 0.000 0.502 26 A N 0.334 123.278 122.820 0.207 0.000 1.933 26 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 26 A C 2.206 179.844 177.584 0.091 0.000 1.175 26 A CA 1.972 54.137 52.037 0.213 0.000 0.628 26 A CB -1.680 17.416 19.000 0.159 0.000 0.814 26 A HN 0.411 nan 8.150 nan 0.000 0.444 27 G N -0.950 107.888 108.800 0.064 0.000 2.432 27 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.219 27 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.219 27 G C 1.444 176.337 174.900 -0.012 0.000 1.135 27 G CA 1.329 46.454 45.100 0.041 0.000 0.767 27 G HN 0.344 nan 8.290 nan 0.000 0.550 28 M N 0.472 120.009 119.600 -0.104 0.000 2.132 28 M HA 0.015 4.495 4.480 -0.000 0.000 0.263 28 M C 2.781 178.969 176.300 -0.187 0.000 1.065 28 M CA 0.646 55.842 55.300 -0.174 0.000 1.122 28 M CB -1.230 31.189 32.600 -0.300 0.000 1.365 28 M HN 0.113 nan 8.290 nan 0.000 0.411 29 V N 0.213 119.976 119.914 -0.252 0.000 2.343 29 V HA -0.179 3.941 4.120 -0.000 0.000 0.247 29 V C 2.622 178.737 176.094 0.035 0.000 1.051 29 V CA 2.062 64.271 62.300 -0.153 0.000 1.036 29 V CB -1.779 29.999 31.823 -0.075 0.000 0.654 29 V HN 0.558 nan 8.190 nan 0.000 0.451 30 G N -0.504 108.355 108.800 0.097 0.000 2.408 30 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.217 30 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.217 30 G C 1.685 176.719 174.900 0.222 0.000 1.150 30 G CA 1.472 46.688 45.100 0.192 0.000 0.776 30 G HN 0.479 nan 8.290 nan 0.000 0.542 31 T N 1.710 116.331 114.554 0.111 0.000 2.737 31 T HA 0.039 4.389 4.350 -0.000 0.000 0.265 31 T C 2.840 177.558 174.700 0.031 0.000 1.038 31 T CA 1.431 63.579 62.100 0.080 0.000 1.144 31 T CB -0.390 68.497 68.868 0.031 0.000 0.866 31 T HN 0.358 nan 8.240 nan 0.000 0.434 32 A N 1.367 124.187 122.820 -0.001 0.000 1.908 32 A HA -0.034 4.286 4.320 -0.000 0.000 0.218 32 A C 2.314 179.904 177.584 0.009 0.000 1.181 32 A CA 1.317 53.343 52.037 -0.019 0.000 0.627 32 A CB -0.946 18.026 19.000 -0.047 0.000 0.818 32 A HN 0.475 nan 8.150 nan 0.000 0.445 33 L N 0.343 121.594 121.223 0.047 0.000 2.046 33 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 33 L C 3.041 179.874 176.870 -0.062 0.000 1.077 33 L CA 1.657 56.528 54.840 0.051 0.000 0.747 33 L CB -0.473 41.683 42.059 0.162 0.000 0.896 33 L HN 0.636 nan 8.230 nan 0.000 0.432 34 S N -0.232 115.384 115.700 -0.140 0.000 2.402 34 S HA -0.114 4.356 4.470 -0.000 0.000 0.229 34 S C 1.933 176.472 174.600 -0.102 0.000 1.021 34 S CA 0.734 58.737 58.200 -0.328 0.000 0.974 34 S CB -0.530 62.523 63.200 -0.245 0.000 0.800 34 S HN 0.365 nan 8.310 nan 0.000 0.484 35 L N 0.404 121.613 121.223 -0.023 0.000 2.109 35 L HA 0.074 4.414 4.340 -0.000 0.000 0.207 35 L C 2.575 179.494 176.870 0.082 0.000 1.086 35 L CA 0.891 55.758 54.840 0.045 0.000 0.760 35 L CB -0.514 41.551 42.059 0.010 0.000 0.910 35 L HN 0.304 nan 8.230 nan 0.000 0.437 36 L N -0.507 120.749 121.223 0.054 0.000 2.093 36 L HA -0.214 4.126 4.340 -0.000 0.000 0.208 36 L C 2.409 179.354 176.870 0.124 0.000 1.085 36 L CA 1.204 56.096 54.840 0.086 0.000 0.755 36 L CB -0.281 41.818 42.059 0.066 0.000 0.904 36 L HN 0.198 nan 8.230 nan 0.000 0.435 37 I N -0.771 119.843 120.570 0.073 0.000 2.142 37 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 37 I C 2.618 178.865 176.117 0.218 0.000 1.078 37 I CA 1.199 62.595 61.300 0.160 0.000 1.343 37 I CB -0.322 37.683 38.000 0.008 0.000 1.046 37 I HN 0.195 nan 8.210 nan 0.000 0.405 38 R N 0.731 121.295 120.500 0.108 0.000 2.189 38 R HA -0.030 4.310 4.340 -0.000 0.000 0.223 38 R C 2.222 178.575 176.300 0.087 0.000 1.092 38 R CA 1.191 57.339 56.100 0.081 0.000 0.989 38 R CB -0.415 29.898 30.300 0.021 0.000 0.876 38 R HN 0.384 nan 8.270 nan 0.000 0.457 39 A N 1.191 124.083 122.820 0.119 0.000 1.897 39 A HA -0.176 4.144 4.320 -0.000 0.000 0.215 39 A C 2.070 179.705 177.584 0.085 0.000 1.181 39 A CA 1.386 53.481 52.037 0.097 0.000 0.620 39 A CB -0.257 18.821 19.000 0.131 0.000 0.821 39 A HN 0.211 nan 8.150 nan 0.000 0.443 40 E N 0.256 120.535 120.200 0.131 0.000 2.153 40 E HA -0.106 4.244 4.350 -0.000 0.000 0.194 40 E C 1.437 178.066 176.600 0.049 0.000 0.988 40 E CA 1.228 57.684 56.400 0.092 0.000 0.811 40 E CB -0.326 29.475 29.700 0.168 0.000 0.746 40 E HN 0.587 nan 8.360 nan 0.000 0.466 41 L N -0.969 120.322 121.223 0.113 0.000 2.607 41 L HA 0.321 4.661 4.340 -0.000 0.000 0.228 41 L C 2.051 179.029 176.870 0.181 0.000 1.123 41 L CA 0.261 55.216 54.840 0.192 0.000 0.890 41 L CB 0.160 42.333 42.059 0.189 0.000 1.103 41 L HN 0.208 nan 8.230 nan 0.000 0.468 42 G N 0.683 109.530 108.800 0.078 0.000 2.470 42 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.220 42 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.220 42 G C 0.561 175.487 174.900 0.044 0.000 1.121 42 G CA 0.465 45.578 45.100 0.021 0.000 0.766 42 G HN 0.541 nan 8.290 nan 0.000 0.553 43 Q N -1.231 118.614 119.800 0.075 0.000 2.482 43 Q HA 0.516 4.856 4.340 -0.000 0.000 0.286 43 Q C -3.332 172.675 176.000 0.012 0.000 1.007 43 Q CA -2.156 53.686 55.803 0.065 0.000 0.801 43 Q CB 1.526 30.264 28.738 -0.000 0.000 1.455 43 Q HN -0.125 nan 8.270 nan 0.000 0.398 44 P HA 0.375 nan 4.420 nan 0.000 0.267 44 P C 0.040 177.217 177.300 -0.204 0.000 1.200 44 P CA 1.492 64.437 63.100 -0.259 0.000 0.772 44 P CB 0.588 32.209 31.700 -0.132 0.000 0.855 45 G N 0.186 108.827 108.800 -0.265 0.000 2.466 45 G HA2 0.021 3.981 3.960 -0.000 0.000 0.316 45 G HA3 0.021 3.981 3.960 -0.000 0.000 0.316 45 G C -0.903 173.897 174.900 -0.167 0.000 1.270 45 G CA -0.325 44.672 45.100 -0.172 0.000 0.982 45 G HN 0.693 nan 8.290 nan 0.000 0.506 46 T N -0.707 113.779 114.554 -0.113 0.000 2.888 46 T HA 0.616 4.966 4.350 -0.000 0.000 0.284 46 T C 0.980 175.648 174.700 -0.054 0.000 1.017 46 T CA 0.466 62.509 62.100 -0.094 0.000 1.022 46 T CB 1.453 70.275 68.868 -0.076 0.000 1.013 46 T HN 1.543 nan 8.240 nan 0.000 0.465 47 L N 4.529 125.733 121.223 -0.032 0.000 2.453 47 L HA 0.504 4.844 4.340 -0.000 0.000 0.190 47 L C 1.779 178.661 176.870 0.019 0.000 1.093 47 L CA 0.963 55.803 54.840 -0.000 0.000 0.834 47 L CB -0.399 41.672 42.059 0.020 0.000 1.090 47 L HN 0.732 nan 8.230 nan 0.000 0.489 48 L N 0.232 121.478 121.223 0.039 0.000 2.395 48 L HA 0.207 4.547 4.340 -0.000 0.000 0.218 48 L C 1.650 178.543 176.870 0.037 0.000 1.130 48 L CA 0.704 55.578 54.840 0.056 0.000 0.826 48 L CB -0.994 41.126 42.059 0.103 0.000 0.941 48 L HN 0.588 nan 8.230 nan 0.000 0.451 49 G N 0.396 109.205 108.800 0.015 0.000 2.212 49 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.267 49 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.267 49 G C 0.027 174.936 174.900 0.016 0.000 1.002 49 G CA 0.751 45.853 45.100 0.003 0.000 0.729 49 G HN 0.449 nan 8.290 nan 0.000 0.517 50 D N -0.438 119.985 120.400 0.039 0.000 2.336 50 D HA 0.365 5.005 4.640 -0.000 0.000 0.248 50 D C 0.608 176.963 176.300 0.091 0.000 1.326 50 D CA -0.565 53.467 54.000 0.053 0.000 0.973 50 D CB 0.593 41.428 40.800 0.059 0.000 1.255 50 D HN -0.060 nan 8.370 nan 0.000 0.558 51 D N 1.751 122.196 120.400 0.074 0.000 2.264 51 D HA -0.163 4.477 4.640 -0.000 0.000 0.208 51 D C 1.628 178.033 176.300 0.176 0.000 0.966 51 D CA 0.817 54.890 54.000 0.122 0.000 0.864 51 D CB 0.340 41.169 40.800 0.048 0.000 0.933 51 D HN 0.439 nan 8.370 nan 0.000 0.499 52 Q N 0.553 120.426 119.800 0.122 0.000 2.119 52 Q HA -0.039 4.301 4.340 -0.000 0.000 0.201 52 Q C 1.967 178.052 176.000 0.142 0.000 0.972 52 Q CA 1.028 56.905 55.803 0.124 0.000 0.847 52 Q CB -0.234 28.549 28.738 0.075 0.000 0.903 52 Q HN 0.299 nan 8.270 nan 0.000 0.433 53 I N -0.307 120.344 120.570 0.135 0.000 2.315 53 I HA -0.236 3.934 4.170 -0.000 0.000 0.248 53 I C 1.991 178.195 176.117 0.146 0.000 1.117 53 I CA 1.196 62.573 61.300 0.128 0.000 1.404 53 I CB -0.414 37.654 38.000 0.112 0.000 1.071 53 I HN 0.294 nan 8.210 nan 0.000 0.419 54 Y N 2.512 122.859 120.300 0.079 0.000 2.128 54 Y HA -0.306 4.244 4.550 -0.000 0.000 0.284 54 Y C 2.403 178.367 175.900 0.108 0.000 1.154 54 Y CA 1.878 60.032 58.100 0.088 0.000 1.149 54 Y CB -0.252 38.256 38.460 0.081 0.000 0.976 54 Y HN 0.175 nan 8.280 nan 0.000 0.505 55 N N -0.048 118.725 118.700 0.122 0.000 2.149 55 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 55 N C 1.875 177.400 175.510 0.025 0.000 1.019 55 N CA 1.653 54.744 53.050 0.068 0.000 0.857 55 N CB -0.640 37.948 38.487 0.169 0.000 0.997 55 N HN 0.327 nan 8.380 nan 0.000 0.426 56 V N 0.341 120.295 119.914 0.067 0.000 2.427 56 V HA -0.115 4.005 4.120 -0.000 0.000 0.248 56 V C 2.324 178.455 176.094 0.062 0.000 1.051 56 V CA 0.932 63.287 62.300 0.091 0.000 1.048 56 V CB -0.357 31.537 31.823 0.118 0.000 0.666 56 V HN 0.068 nan 8.190 nan 0.000 0.456 57 V N -0.341 119.570 119.914 -0.006 0.000 2.358 57 V HA -0.194 3.926 4.120 -0.000 0.000 0.246 57 V C 2.427 178.504 176.094 -0.027 0.000 1.047 57 V CA 1.768 64.058 62.300 -0.017 0.000 1.035 57 V CB -0.281 31.497 31.823 -0.074 0.000 0.658 57 V HN 0.402 nan 8.190 nan 0.000 0.452 58 V N -0.016 119.802 119.914 -0.159 0.000 2.343 58 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 58 V C 2.571 178.686 176.094 0.035 0.000 1.051 58 V CA 2.676 64.931 62.300 -0.076 0.000 1.036 58 V CB -1.046 30.682 31.823 -0.159 0.000 0.654 58 V HN 0.619 nan 8.190 nan 0.000 0.451 59 T N 0.478 115.038 114.554 0.010 0.000 2.674 59 T HA -0.171 4.179 4.350 -0.000 0.000 0.265 59 T C 2.065 176.781 174.700 0.026 0.000 1.039 59 T CA 1.734 63.822 62.100 -0.019 0.000 1.150 59 T CB -0.484 68.421 68.868 0.061 0.000 0.864 59 T HN 0.570 nan 8.240 nan 0.000 0.427 60 A N 1.196 124.127 122.820 0.185 0.000 1.933 60 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 60 A C 2.018 179.744 177.584 0.238 0.000 1.175 60 A CA 2.224 54.441 52.037 0.300 0.000 0.628 60 A CB -0.966 18.200 19.000 0.278 0.000 0.814 60 A HN 0.683 nan 8.150 nan 0.000 0.444 61 H N 0.478 119.595 119.070 0.078 0.000 2.289 61 H HA -0.079 4.477 4.556 -0.000 0.000 0.296 61 H C 2.118 177.442 175.328 -0.007 0.000 1.091 61 H CA 2.328 58.407 56.048 0.052 0.000 1.274 61 H CB -0.485 29.297 29.762 0.033 0.000 1.364 61 H HN 0.361 nan 8.280 nan 0.000 0.490 62 A N 0.021 122.623 122.820 -0.362 0.000 1.858 62 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 62 A C 2.296 179.621 177.584 -0.431 0.000 1.190 62 A CA 1.586 53.252 52.037 -0.617 0.000 0.617 62 A CB -1.168 17.409 19.000 -0.706 0.000 0.827 62 A HN 0.440 nan 8.150 nan 0.000 0.443 63 F N 0.052 119.968 119.950 -0.057 0.000 2.095 63 F HA -0.154 4.373 4.527 -0.000 0.000 0.298 63 F C 2.542 178.313 175.800 -0.047 0.000 1.104 63 F CA 1.225 59.276 58.000 0.086 0.000 1.232 63 F CB -1.030 38.055 39.000 0.142 0.000 0.987 63 F HN 0.023 nan 8.300 nan 0.000 0.475 64 V N -0.383 119.655 119.914 0.207 0.000 2.295 64 V HA -0.320 3.800 4.120 -0.000 0.000 0.246 64 V C 2.510 178.623 176.094 0.032 0.000 1.049 64 V CA 1.540 63.955 62.300 0.191 0.000 1.024 64 V CB -0.551 31.434 31.823 0.269 0.000 0.648 64 V HN 0.222 nan 8.190 nan 0.000 0.447 65 M N -0.924 118.613 119.600 -0.105 0.000 2.117 65 M HA -0.097 4.383 4.480 -0.000 0.000 0.262 65 M C 2.138 178.305 176.300 -0.222 0.000 1.065 65 M CA 1.918 57.121 55.300 -0.161 0.000 1.114 65 M CB -0.941 31.482 32.600 -0.295 0.000 1.361 65 M HN 0.286 nan 8.290 nan 0.000 0.408 66 I N -1.177 119.170 120.570 -0.372 0.000 2.206 66 I HA -0.245 3.925 4.170 -0.000 0.000 0.239 66 I C 2.034 177.817 176.117 -0.557 0.000 1.078 66 I CA 1.244 62.211 61.300 -0.556 0.000 1.367 66 I CB -0.366 37.101 38.000 -0.888 0.000 1.078 66 I HN 0.054 nan 8.210 nan 0.000 0.413 67 F N -0.449 119.320 119.950 -0.302 0.000 2.416 67 F HA -0.010 4.517 4.527 -0.000 0.000 0.296 67 F C 1.761 177.340 175.800 -0.367 0.000 1.099 67 F CA 0.886 58.624 58.000 -0.435 0.000 1.427 67 F CB -0.183 38.332 39.000 -0.808 0.000 1.079 67 F HN -0.049 nan 8.300 nan 0.000 0.536 68 F N -2.388 117.657 119.950 0.159 0.000 2.694 68 F HA 0.183 4.710 4.527 -0.000 0.000 0.292 68 F C 1.953 177.878 175.800 0.208 0.000 1.121 68 F CA 0.079 58.185 58.000 0.177 0.000 1.352 68 F CB -0.324 38.499 39.000 -0.294 0.000 1.107 68 F HN -0.111 nan 8.300 nan 0.000 0.597 69 M N -0.352 119.387 119.600 0.233 0.000 2.749 69 M HA 0.093 4.573 4.480 -0.000 0.000 0.240 69 M C 2.048 178.442 176.300 0.157 0.000 1.285 69 M CA 1.211 56.624 55.300 0.188 0.000 1.267 69 M CB -0.529 32.134 32.600 0.106 0.000 1.184 69 M HN -0.078 nan 8.290 nan 0.000 0.526 70 V N 1.804 121.750 119.914 0.053 0.000 2.237 70 V HA -0.322 3.798 4.120 -0.000 0.000 0.245 70 V C 2.612 178.741 176.094 0.059 0.000 1.046 70 V CA 2.182 64.502 62.300 0.033 0.000 1.007 70 V CB -0.834 30.950 31.823 -0.065 0.000 0.638 70 V HN 0.505 nan 8.190 nan 0.000 0.445 71 M N -0.494 119.115 119.600 0.016 0.000 2.086 71 M HA -0.115 4.365 4.480 -0.000 0.000 0.261 71 M C -0.013 176.359 176.300 0.119 0.000 1.067 71 M CA 2.264 57.587 55.300 0.038 0.000 1.116 71 M CB -1.649 30.955 32.600 0.006 0.000 1.348 71 M HN 0.288 nan 8.290 nan 0.000 0.407 72 P HA -0.097 nan 4.420 nan 0.000 0.216 72 P C 1.410 178.870 177.300 0.266 0.000 1.153 72 P CA 1.295 64.612 63.100 0.361 0.000 0.848 72 P CB -0.099 31.990 31.700 0.650 0.000 0.787 73 I N -2.068 118.667 120.570 0.275 0.000 2.163 73 I HA -0.225 3.945 4.170 -0.000 0.000 0.240 73 I C 2.451 178.753 176.117 0.308 0.000 1.081 73 I CA 1.602 63.058 61.300 0.260 0.000 1.353 73 I CB -0.489 37.679 38.000 0.279 0.000 1.054 73 I HN -0.094 nan 8.210 nan 0.000 0.407 74 M N 0.065 119.843 119.600 0.297 0.000 2.077 74 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 74 M C 2.303 178.736 176.300 0.221 0.000 1.070 74 M CA 2.113 57.610 55.300 0.329 0.000 1.125 74 M CB -0.218 32.487 32.600 0.175 0.000 1.339 74 M HN 0.164 nan 8.290 nan 0.000 0.409 75 I N -1.125 119.470 120.570 0.041 0.000 2.385 75 I HA -0.035 4.135 4.170 -0.000 0.000 0.244 75 I C 2.567 178.609 176.117 -0.125 0.000 1.089 75 I CA 1.162 62.393 61.300 -0.114 0.000 1.410 75 I CB -0.796 37.134 38.000 -0.117 0.000 1.117 75 I HN 0.302 nan 8.210 nan 0.000 0.429 76 G N 0.281 108.868 108.800 -0.356 0.000 2.403 76 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.216 76 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.216 76 G C 1.577 176.174 174.900 -0.504 0.000 1.154 76 G CA 0.801 45.245 45.100 -1.092 0.000 0.784 76 G HN 0.477 nan 8.290 nan 0.000 0.538 77 G N 0.481 109.204 108.800 -0.129 0.000 2.607 77 G HA2 0.046 4.006 3.960 -0.000 0.000 0.215 77 G HA3 0.046 4.006 3.960 -0.000 0.000 0.215 77 G C 1.508 176.397 174.900 -0.018 0.000 1.275 77 G CA 0.420 45.513 45.100 -0.012 0.000 0.842 77 G HN 0.281 nan 8.290 nan 0.000 0.555 78 F N 1.817 121.846 119.950 0.132 0.000 2.171 78 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 78 F C 2.921 178.850 175.800 0.215 0.000 1.090 78 F CA 0.917 58.978 58.000 0.101 0.000 1.293 78 F CB -0.312 38.701 39.000 0.022 0.000 1.013 78 F HN 0.236 nan 8.300 nan 0.000 0.486 79 G N -0.091 108.942 108.800 0.389 0.000 2.433 79 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.216 79 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.216 79 G C 1.393 176.567 174.900 0.458 0.000 1.186 79 G CA 1.262 46.510 45.100 0.246 0.000 0.779 79 G HN 0.325 nan 8.290 nan 0.000 0.543 80 N N -0.666 118.282 118.700 0.414 0.000 2.120 80 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 80 N C 1.881 177.527 175.510 0.227 0.000 1.024 80 N CA 1.185 54.388 53.050 0.254 0.000 0.852 80 N CB -0.187 38.349 38.487 0.081 0.000 1.003 80 N HN 0.577 nan 8.380 nan 0.000 0.424 81 W N 0.932 122.229 121.300 -0.005 0.000 2.378 81 W HA -0.006 4.654 4.660 -0.000 0.000 0.313 81 W C 1.729 178.272 176.519 0.040 0.000 1.197 81 W CA 0.768 58.028 57.345 -0.141 0.000 1.304 81 W CB -0.177 28.912 29.460 -0.617 0.000 1.148 81 W HN 0.032 nan 8.180 nan 0.000 0.494 82 L N -1.401 120.018 121.223 0.326 0.000 2.202 82 L HA -0.113 4.227 4.340 -0.000 0.000 0.205 82 L C 2.084 179.086 176.870 0.219 0.000 1.083 82 L CA 0.259 55.209 54.840 0.183 0.000 0.790 82 L CB -1.223 40.767 42.059 -0.115 0.000 0.942 82 L HN -0.188 nan 8.230 nan 0.000 0.452 83 V N 0.785 120.858 119.914 0.264 0.000 2.255 83 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 83 V C -0.136 175.974 176.094 0.028 0.000 1.051 83 V CA 2.217 64.615 62.300 0.163 0.000 1.018 83 V CB -1.498 30.445 31.823 0.199 0.000 0.641 83 V HN 0.318 nan 8.190 nan 0.000 0.445 84 P HA -0.114 nan 4.420 nan 0.000 0.216 84 P C 1.925 179.131 177.300 -0.158 0.000 1.153 84 P CA 1.362 64.301 63.100 -0.268 0.000 0.848 84 P CB -0.050 31.203 31.700 -0.745 0.000 0.787 85 L N -1.831 119.420 121.223 0.047 0.000 2.046 85 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 85 L C 2.427 179.361 176.870 0.106 0.000 1.077 85 L CA 1.546 56.521 54.840 0.225 0.000 0.747 85 L CB -0.850 41.409 42.059 0.333 0.000 0.896 85 L HN -0.007 nan 8.230 nan 0.000 0.432 86 M N -0.177 119.484 119.600 0.102 0.000 2.460 86 M HA -0.099 4.381 4.480 -0.000 0.000 0.263 86 M C 1.759 178.071 176.300 0.019 0.000 1.071 86 M CA 1.398 56.773 55.300 0.125 0.000 1.096 86 M CB -0.099 32.628 32.600 0.212 0.000 1.408 86 M HN 0.371 nan 8.290 nan 0.000 0.463 87 I N -4.380 116.125 120.570 -0.108 0.000 4.081 87 I HA 0.473 4.643 4.170 -0.000 0.000 0.333 87 I C 0.896 176.802 176.117 -0.351 0.000 1.413 87 I CA 0.005 61.202 61.300 -0.171 0.000 1.110 87 I CB -0.048 37.860 38.000 -0.152 0.000 1.082 87 I HN 0.295 nan 8.210 nan 0.000 0.402 88 G N 2.076 110.480 108.800 -0.660 0.000 2.198 88 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.260 88 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.260 88 G C 0.315 174.643 174.900 -0.955 0.000 1.025 88 G CA 0.198 44.437 45.100 -1.436 0.000 0.769 88 G HN 0.943 nan 8.290 nan 0.000 0.507 89 A N 0.268 122.752 122.820 -0.559 0.000 2.316 89 A HA 0.820 5.140 4.320 -0.000 0.000 0.284 89 A C -0.036 177.457 177.584 -0.152 0.000 1.115 89 A CA -0.799 51.062 52.037 -0.293 0.000 0.812 89 A CB 1.019 19.860 19.000 -0.266 0.000 1.064 89 A HN 0.131 nan 8.150 nan 0.000 0.489 90 P HA -0.023 nan 4.420 nan 0.000 0.221 90 P C 0.087 177.372 177.300 -0.026 0.000 1.150 90 P CA 1.164 64.290 63.100 0.044 0.000 0.800 90 P CB 0.389 32.106 31.700 0.029 0.000 0.787 91 D N -2.897 117.400 120.400 -0.171 0.000 3.024 91 D HA 0.115 4.755 4.640 -0.000 0.000 0.354 91 D C -0.612 175.501 176.300 -0.312 0.000 1.431 91 D CA -0.502 53.343 54.000 -0.258 0.000 0.842 91 D CB 0.375 41.122 40.800 -0.090 0.000 1.437 91 D HN -0.328 nan 8.370 nan 0.000 0.507 92 M N 1.032 120.460 119.600 -0.288 0.000 2.202 92 M HA 0.326 4.806 4.480 -0.000 0.000 0.316 92 M C 1.324 177.419 176.300 -0.343 0.000 1.138 92 M CA 0.094 55.197 55.300 -0.329 0.000 1.151 92 M CB 0.417 32.818 32.600 -0.332 0.000 1.422 92 M HN 0.612 nan 8.290 nan 0.000 0.471 93 A N 1.383 123.900 122.820 -0.503 0.000 1.902 93 A HA -0.065 4.255 4.320 -0.000 0.000 0.217 93 A C 0.493 177.606 177.584 -0.784 0.000 1.181 93 A CA 1.575 53.152 52.037 -0.765 0.000 0.623 93 A CB -0.275 18.005 19.000 -1.200 0.000 0.818 93 A HN 0.583 nan 8.150 nan 0.000 0.443 94 F N -0.378 119.507 119.950 -0.108 0.000 2.449 94 F HA 0.339 4.866 4.527 -0.000 0.000 0.344 94 F C -1.778 173.973 175.800 -0.082 0.000 1.180 94 F CA -2.963 54.989 58.000 -0.081 0.000 1.209 94 F CB 0.917 39.874 39.000 -0.071 0.000 1.440 94 F HN 0.068 nan 8.300 nan 0.000 0.526 95 P HA -0.208 nan 4.420 nan 0.000 0.219 95 P C 1.693 179.011 177.300 0.030 0.000 1.146 95 P CA 1.372 64.469 63.100 -0.005 0.000 0.808 95 P CB 0.454 32.140 31.700 -0.022 0.000 0.779 96 R N -0.600 119.936 120.500 0.059 0.000 2.080 96 R HA 0.113 4.453 4.340 -0.000 0.000 0.222 96 R C 2.549 178.889 176.300 0.067 0.000 1.107 96 R CA 0.708 56.840 56.100 0.054 0.000 0.980 96 R CB -0.680 29.640 30.300 0.034 0.000 0.879 96 R HN 0.015 nan 8.270 nan 0.000 0.439 97 M N 0.943 120.590 119.600 0.077 0.000 2.213 97 M HA -0.201 4.279 4.480 -0.000 0.000 0.263 97 M C 1.853 178.204 176.300 0.085 0.000 1.062 97 M CA 1.828 57.167 55.300 0.064 0.000 1.105 97 M CB -0.329 32.297 32.600 0.043 0.000 1.385 97 M HN 0.307 nan 8.290 nan 0.000 0.417 98 N N 0.089 118.838 118.700 0.082 0.000 2.149 98 N HA -0.249 4.491 4.740 -0.000 0.000 0.188 98 N C 1.453 177.034 175.510 0.118 0.000 1.019 98 N CA 1.551 54.642 53.050 0.069 0.000 0.857 98 N CB -0.139 38.347 38.487 -0.002 0.000 0.997 98 N HN 0.405 nan 8.380 nan 0.000 0.426 99 N N 0.785 119.556 118.700 0.117 0.000 2.244 99 N HA -0.107 4.633 4.740 -0.000 0.000 0.183 99 N C 1.728 177.384 175.510 0.244 0.000 1.016 99 N CA 0.744 53.901 53.050 0.179 0.000 0.866 99 N CB -0.141 38.477 38.487 0.219 0.000 0.980 99 N HN 0.335 nan 8.380 nan 0.000 0.430 100 M N -0.736 118.975 119.600 0.184 0.000 2.254 100 M HA -0.022 4.458 4.480 -0.000 0.000 0.265 100 M C 1.696 178.060 176.300 0.107 0.000 1.066 100 M CA 0.998 56.399 55.300 0.167 0.000 1.123 100 M CB 0.023 32.683 32.600 0.100 0.000 1.388 100 M HN 0.006 nan 8.290 nan 0.000 0.425 101 S N 0.303 116.070 115.700 0.111 0.000 2.382 101 S HA -0.149 4.321 4.470 -0.000 0.000 0.228 101 S C 1.456 176.076 174.600 0.034 0.000 1.027 101 S CA 1.400 59.674 58.200 0.124 0.000 0.991 101 S CB -0.492 62.835 63.200 0.213 0.000 0.823 101 S HN 0.624 nan 8.310 nan 0.000 0.469 102 F N 0.753 120.585 119.950 -0.197 0.000 2.098 102 F HA -0.005 4.522 4.527 -0.000 0.000 0.294 102 F C 1.653 177.072 175.800 -0.634 0.000 1.107 102 F CA 1.000 58.556 58.000 -0.739 0.000 1.234 102 F CB -0.683 37.654 39.000 -1.106 0.000 1.002 102 F HN 0.218 nan 8.300 nan 0.000 0.472 103 W N 0.581 121.644 121.300 -0.395 0.000 2.538 103 W HA -0.102 4.558 4.660 -0.000 0.000 0.254 103 W C 1.993 178.316 176.519 -0.326 0.000 1.249 103 W CA 0.425 57.550 57.345 -0.366 0.000 1.253 103 W CB -0.368 29.048 29.460 -0.072 0.000 1.130 103 W HN 0.075 nan 8.180 nan 0.000 0.618 104 L N -0.409 120.746 121.223 -0.114 0.000 2.313 104 L HA -0.117 4.223 4.340 -0.000 0.000 0.214 104 L C 2.107 178.904 176.870 -0.122 0.000 1.119 104 L CA 0.520 55.327 54.840 -0.055 0.000 0.809 104 L CB -0.411 41.644 42.059 -0.007 0.000 0.933 104 L HN 0.073 nan 8.230 nan 0.000 0.449 105 L N -0.188 120.807 121.223 -0.381 0.000 2.027 105 L HA -0.113 4.227 4.340 -0.000 0.000 0.206 105 L C -0.186 176.549 176.870 -0.225 0.000 1.074 105 L CA 1.255 55.849 54.840 -0.411 0.000 0.745 105 L CB -1.787 39.695 42.059 -0.961 0.000 0.898 105 L HN 0.195 nan 8.230 nan 0.000 0.433 106 P HA -0.101 nan 4.420 nan 0.000 0.215 106 P C -1.352 176.011 177.300 0.105 0.000 1.157 106 P CA 1.544 64.714 63.100 0.117 0.000 0.868 106 P CB -0.929 30.846 31.700 0.125 0.000 0.788 107 P HA -0.134 nan 4.420 nan 0.000 0.216 107 P C 1.918 179.276 177.300 0.095 0.000 1.153 107 P CA 1.693 64.832 63.100 0.066 0.000 0.848 107 P CB -0.469 31.259 31.700 0.048 0.000 0.787 108 S N -1.742 114.023 115.700 0.109 0.000 2.370 108 S HA -0.187 4.283 4.470 -0.000 0.000 0.226 108 S C 1.806 176.528 174.600 0.203 0.000 1.033 108 S CA 1.074 59.387 58.200 0.188 0.000 1.011 108 S CB -1.108 62.260 63.200 0.279 0.000 0.852 108 S HN 0.055 nan 8.310 nan 0.000 0.457 109 F N 0.710 120.527 119.950 -0.221 0.000 2.146 109 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 109 F C 2.040 177.771 175.800 -0.116 0.000 1.096 109 F CA 0.809 58.508 58.000 -0.501 0.000 1.275 109 F CB -0.105 38.569 39.000 -0.542 0.000 1.008 109 F HN 0.298 nan 8.300 nan 0.000 0.480 110 L N 0.816 122.138 121.223 0.164 0.000 2.079 110 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 110 L C 1.899 178.843 176.870 0.123 0.000 1.081 110 L CA 1.741 56.631 54.840 0.084 0.000 0.752 110 L CB -0.809 41.278 42.059 0.046 0.000 0.896 110 L HN 0.158 nan 8.230 nan 0.000 0.433 111 L N -1.320 119.991 121.223 0.146 0.000 2.141 111 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 111 L C 2.488 179.461 176.870 0.171 0.000 1.094 111 L CA 1.209 56.138 54.840 0.149 0.000 0.763 111 L CB -0.458 41.696 42.059 0.158 0.000 0.908 111 L HN 0.373 nan 8.230 nan 0.000 0.437 112 L N -0.473 120.891 121.223 0.236 0.000 2.027 112 L HA -0.199 4.141 4.340 -0.000 0.000 0.206 112 L C 2.418 179.446 176.870 0.263 0.000 1.074 112 L CA 1.282 56.285 54.840 0.272 0.000 0.745 112 L CB -0.042 42.290 42.059 0.455 0.000 0.898 112 L HN 0.164 nan 8.230 nan 0.000 0.433 113 L N -0.424 120.955 121.223 0.260 0.000 2.093 113 L HA -0.164 4.176 4.340 -0.000 0.000 0.208 113 L C 2.793 179.741 176.870 0.130 0.000 1.085 113 L CA 0.982 55.928 54.840 0.177 0.000 0.755 113 L CB -0.816 41.297 42.059 0.090 0.000 0.904 113 L HN 0.348 nan 8.230 nan 0.000 0.435 114 A N 0.061 122.952 122.820 0.118 0.000 1.933 114 A HA -0.227 4.093 4.320 -0.000 0.000 0.218 114 A C 2.545 180.193 177.584 0.107 0.000 1.175 114 A CA 1.920 54.016 52.037 0.098 0.000 0.628 114 A CB -0.648 18.407 19.000 0.091 0.000 0.814 114 A HN 0.503 nan 8.150 nan 0.000 0.444 115 S N 0.444 116.218 115.700 0.123 0.000 2.423 115 S HA -0.143 4.327 4.470 -0.000 0.000 0.231 115 S C 1.982 176.656 174.600 0.123 0.000 1.014 115 S CA 1.807 60.078 58.200 0.118 0.000 0.965 115 S CB -0.682 62.585 63.200 0.112 0.000 0.785 115 S HN 0.903 nan 8.310 nan 0.000 0.495 116 S N 0.343 116.122 115.700 0.133 0.000 2.501 116 S HA 0.230 4.700 4.470 -0.000 0.000 0.220 116 S C 1.820 176.482 174.600 0.103 0.000 0.997 116 S CA 0.156 58.433 58.200 0.128 0.000 0.919 116 S CB -0.282 63.004 63.200 0.144 0.000 0.778 116 S HN 0.372 nan 8.310 nan 0.000 0.523 117 M N 2.106 121.761 119.600 0.093 0.000 2.325 117 M HA 0.245 4.725 4.480 -0.000 0.000 0.265 117 M C 1.157 177.497 176.300 0.068 0.000 1.094 117 M CA 0.538 55.882 55.300 0.074 0.000 1.161 117 M CB -0.813 31.827 32.600 0.066 0.000 1.358 117 M HN 0.406 nan 8.290 nan 0.000 0.446 118 V N -0.384 119.574 119.914 0.073 0.000 2.834 118 V HA 0.280 4.400 4.120 -0.000 0.000 0.301 118 V C 0.854 176.990 176.094 0.069 0.000 1.066 118 V CA -0.957 61.383 62.300 0.067 0.000 1.052 118 V CB 0.824 32.689 31.823 0.069 0.000 1.021 118 V HN 0.583 nan 8.190 nan 0.000 0.480 119 E N 2.494 122.729 120.200 0.058 0.000 3.401 119 E HA -0.350 4.000 4.350 -0.000 0.000 0.352 119 E C 0.920 177.552 176.600 0.054 0.000 1.523 119 E CA 2.085 58.517 56.400 0.052 0.000 1.794 119 E CB -1.647 28.088 29.700 0.058 0.000 1.792 119 E HN 1.556 nan 8.360 nan 0.000 0.471 120 A N 1.572 124.426 122.820 0.056 0.000 2.574 120 A HA 0.514 4.834 4.320 -0.000 0.000 0.283 120 A C 0.877 178.522 177.584 0.101 0.000 1.270 120 A CA 1.414 53.487 52.037 0.059 0.000 0.945 120 A CB -0.101 18.913 19.000 0.023 0.000 1.127 120 A HN 1.353 nan 8.150 nan 0.000 0.522 121 G N -0.954 107.918 108.800 0.120 0.000 2.855 121 G HA2 0.278 4.238 3.960 -0.000 0.000 0.352 121 G HA3 0.278 4.238 3.960 -0.000 0.000 0.352 121 G C 0.136 175.166 174.900 0.217 0.000 1.415 121 G CA -0.291 44.900 45.100 0.150 0.000 0.871 121 G HN 1.771 nan 8.290 nan 0.000 0.543 122 A N 0.331 123.262 122.820 0.185 0.000 2.582 122 A HA 0.725 5.045 4.320 -0.000 0.000 0.336 122 A C 0.860 178.509 177.584 0.108 0.000 1.445 122 A CA 0.803 52.912 52.037 0.120 0.000 0.997 122 A CB 0.279 19.310 19.000 0.050 0.000 1.148 122 A HN 2.289 nan 8.150 nan 0.000 0.514 123 G N 1.584 110.535 108.800 0.251 0.000 3.515 123 G HA2 0.375 4.335 3.960 -0.000 0.000 0.288 123 G HA3 0.375 4.335 3.960 -0.000 0.000 0.288 123 G C 0.712 175.648 174.900 0.060 0.000 1.012 123 G CA 0.503 45.711 45.100 0.180 0.000 1.689 123 G HN 0.786 nan 8.290 nan 0.000 0.572 124 T N -2.344 112.159 114.554 -0.084 0.000 2.971 124 T HA 0.503 4.853 4.350 -0.000 0.000 0.252 124 T C 1.130 175.749 174.700 -0.135 0.000 1.022 124 T CA 0.534 62.538 62.100 -0.159 0.000 0.980 124 T CB 0.642 69.344 68.868 -0.278 0.000 1.044 124 T HN 1.638 nan 8.240 nan 0.000 0.501 125 G N 1.610 110.355 108.800 -0.092 0.000 2.692 125 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.686 125 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.686 125 G C 0.196 174.972 174.900 -0.206 0.000 1.243 125 G CA -0.251 44.774 45.100 -0.124 0.000 0.782 125 G HN 0.614 nan 8.290 nan 0.000 0.625 126 W N 0.873 121.878 121.300 -0.491 0.000 2.611 126 W HA -0.018 4.642 4.660 -0.000 0.000 0.251 126 W C 1.464 177.716 176.519 -0.446 0.000 1.265 126 W CA 1.877 58.739 57.345 -0.805 0.000 1.295 126 W CB -1.459 27.400 29.460 -1.001 0.000 1.129 126 W HN 1.017 nan 8.180 nan 0.000 0.630 127 T N -0.911 112.966 114.554 -1.127 0.000 3.055 127 T HA 0.009 4.359 4.350 -0.000 0.000 0.265 127 T C 1.234 175.319 174.700 -1.026 0.000 1.111 127 T CA 0.850 61.909 62.100 -1.735 0.000 1.118 127 T CB -0.850 67.007 68.868 -1.684 0.000 0.909 127 T HN 0.126 nan 8.240 nan 0.000 0.501 128 V N 0.759 120.351 119.914 -0.537 0.000 5.175 128 V HA -0.240 3.880 4.120 -0.000 0.000 0.279 128 V C 0.241 176.085 176.094 -0.417 0.000 0.571 128 V CA 0.381 62.487 62.300 -0.323 0.000 0.694 128 V CB -2.907 28.822 31.823 -0.156 0.000 0.525 128 V HN 0.703 nan 8.190 nan 0.000 1.093 129 Y N 1.801 121.800 120.300 -0.501 0.000 2.511 129 Y HA 0.251 4.801 4.550 -0.000 0.000 0.332 129 Y C -0.906 174.703 175.900 -0.484 0.000 1.177 129 Y CA -1.732 56.038 58.100 -0.552 0.000 1.422 129 Y CB 0.941 39.249 38.460 -0.253 0.000 1.271 129 Y HN 0.267 nan 8.280 nan 0.000 0.550 130 P HA 0.192 nan 4.420 nan 0.000 0.282 130 P C -2.469 174.778 177.300 -0.088 0.000 1.259 130 P CA -2.081 60.879 63.100 -0.233 0.000 0.826 130 P CB 1.517 33.062 31.700 -0.259 0.000 1.064 131 P HA 0.026 nan 4.420 nan 0.000 0.236 131 P C 1.584 178.903 177.300 0.032 0.000 1.177 131 P CA 0.145 63.258 63.100 0.022 0.000 0.773 131 P CB -0.085 31.644 31.700 0.048 0.000 0.878 132 L N 0.503 121.748 121.223 0.037 0.000 2.081 132 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 132 L C 1.984 178.900 176.870 0.076 0.000 1.080 132 L CA 2.106 56.997 54.840 0.086 0.000 0.754 132 L CB -1.286 40.819 42.059 0.077 0.000 0.893 132 L HN -0.058 nan 8.230 nan 0.000 0.433 133 A N -0.973 121.804 122.820 -0.073 0.000 2.238 133 A HA 0.383 4.703 4.320 -0.000 0.000 0.208 133 A C 1.392 178.946 177.584 -0.050 0.000 1.177 133 A CA 0.387 52.333 52.037 -0.152 0.000 0.804 133 A CB -1.252 17.590 19.000 -0.263 0.000 0.823 133 A HN 0.473 nan 8.150 nan 0.000 0.482 134 G N 0.063 108.867 108.800 0.007 0.000 2.651 134 G HA2 0.248 4.208 3.960 -0.000 0.000 0.260 134 G HA3 0.248 4.208 3.960 -0.000 0.000 0.260 134 G C 0.605 175.547 174.900 0.069 0.000 1.216 134 G CA 0.147 45.271 45.100 0.039 0.000 0.913 134 G HN 0.474 nan 8.290 nan 0.000 0.535 135 N N -0.799 117.937 118.700 0.059 0.000 2.550 135 N HA -0.053 4.687 4.740 -0.000 0.000 0.186 135 N C 1.484 177.025 175.510 0.051 0.000 1.110 135 N CA 0.657 53.741 53.050 0.057 0.000 0.912 135 N CB 0.049 38.564 38.487 0.047 0.000 0.968 135 N HN 0.309 nan 8.380 nan 0.000 0.448 136 L N -0.690 120.564 121.223 0.051 0.000 2.349 136 L HA 0.478 4.818 4.340 -0.000 0.000 0.200 136 L C 2.045 178.935 176.870 0.034 0.000 1.064 136 L CA 0.906 55.769 54.840 0.038 0.000 0.821 136 L CB -0.686 41.395 42.059 0.035 0.000 1.027 136 L HN 0.132 nan 8.230 nan 0.000 0.476 137 A N -2.036 120.818 122.820 0.057 0.000 2.123 137 A HA 0.018 4.338 4.320 -0.000 0.000 0.214 137 A C 0.269 177.863 177.584 0.016 0.000 1.152 137 A CA 0.707 52.776 52.037 0.053 0.000 0.728 137 A CB -0.603 18.458 19.000 0.101 0.000 0.814 137 A HN 0.610 nan 8.150 nan 0.000 0.464 138 H N -1.019 118.061 119.070 0.016 0.000 2.597 138 H HA 0.527 5.083 4.556 -0.000 0.000 0.225 138 H C 0.053 175.392 175.328 0.017 0.000 1.422 138 H CA -0.092 55.966 56.048 0.017 0.000 1.335 138 H CB 0.427 30.195 29.762 0.009 0.000 1.783 138 H HN 0.408 nan 8.280 nan 0.000 0.513 139 A N 0.985 123.835 122.820 0.050 0.000 2.386 139 A HA 0.626 4.946 4.320 -0.000 0.000 0.248 139 A C 0.984 178.600 177.584 0.053 0.000 1.082 139 A CA 0.700 52.766 52.037 0.047 0.000 0.789 139 A CB -0.087 18.927 19.000 0.024 0.000 1.025 139 A HN 0.876 nan 8.150 nan 0.000 0.490 140 G N -1.067 107.767 108.800 0.057 0.000 2.541 140 G HA2 0.375 4.335 3.960 -0.000 0.000 0.686 140 G HA3 0.375 4.335 3.960 -0.000 0.000 0.686 140 G C 0.622 175.566 174.900 0.073 0.000 1.286 140 G CA 0.097 45.233 45.100 0.061 0.000 0.894 140 G HN 1.961 nan 8.290 nan 0.000 0.575 141 A N -0.188 122.678 122.820 0.077 0.000 2.119 141 A HA 0.291 4.611 4.320 -0.000 0.000 0.217 141 A C 2.677 180.315 177.584 0.088 0.000 1.153 141 A CA 2.521 54.611 52.037 0.088 0.000 0.692 141 A CB -0.615 18.442 19.000 0.095 0.000 0.799 141 A HN 1.581 nan 8.150 nan 0.000 0.458 142 S N -0.151 115.606 115.700 0.096 0.000 2.377 142 S HA -0.204 4.266 4.470 -0.000 0.000 0.224 142 S C 1.868 176.505 174.600 0.063 0.000 1.042 142 S CA 1.816 60.077 58.200 0.101 0.000 1.086 142 S CB -0.640 62.645 63.200 0.142 0.000 0.995 142 S HN 0.385 nan 8.310 nan 0.000 0.428 143 V N 2.543 122.483 119.914 0.043 0.000 2.490 143 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 143 V C 1.968 178.004 176.094 -0.098 0.000 1.061 143 V CA 1.686 63.962 62.300 -0.040 0.000 1.064 143 V CB -0.709 31.076 31.823 -0.063 0.000 0.670 143 V HN 0.434 nan 8.190 nan 0.000 0.461 144 D N 0.007 120.363 120.400 -0.073 0.000 2.178 144 D HA -0.088 4.552 4.640 -0.000 0.000 0.202 144 D C 2.115 178.313 176.300 -0.169 0.000 0.974 144 D CA 1.049 54.935 54.000 -0.190 0.000 0.841 144 D CB 0.013 40.776 40.800 -0.062 0.000 0.953 144 D HN 0.366 nan 8.370 nan 0.000 0.478 145 L N 0.631 121.884 121.223 0.050 0.000 2.156 145 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 145 L C 2.525 179.424 176.870 0.049 0.000 1.095 145 L CA 0.894 55.832 54.840 0.164 0.000 0.770 145 L CB -0.388 41.763 42.059 0.153 0.000 0.914 145 L HN -0.035 nan 8.230 nan 0.000 0.439 146 T N 0.094 114.614 114.554 -0.055 0.000 2.777 146 T HA -0.124 4.226 4.350 -0.000 0.000 0.266 146 T C 1.917 176.443 174.700 -0.290 0.000 1.040 146 T CA 1.291 63.291 62.100 -0.167 0.000 1.141 146 T CB -0.149 68.629 68.868 -0.149 0.000 0.868 146 T HN 0.173 nan 8.240 nan 0.000 0.444 147 I N 0.281 120.656 120.570 -0.325 0.000 2.226 147 I HA -0.153 4.017 4.170 -0.000 0.000 0.245 147 I C 1.973 177.833 176.117 -0.428 0.000 1.100 147 I CA 1.332 62.357 61.300 -0.459 0.000 1.374 147 I CB -0.354 37.328 38.000 -0.529 0.000 1.057 147 I HN 0.160 nan 8.210 nan 0.000 0.413 148 F N 0.277 120.166 119.950 -0.101 0.000 2.186 148 F HA -0.201 4.326 4.527 -0.000 0.000 0.299 148 F C 2.918 178.701 175.800 -0.029 0.000 1.090 148 F CA 1.402 59.408 58.000 0.011 0.000 1.307 148 F CB -1.181 37.849 39.000 0.049 0.000 1.019 148 F HN 0.014 nan 8.300 nan 0.000 0.489 149 S N 0.235 115.987 115.700 0.086 0.000 2.359 149 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 149 S C 2.193 176.729 174.600 -0.108 0.000 1.035 149 S CA 1.193 59.416 58.200 0.037 0.000 1.018 149 S CB -0.450 62.749 63.200 -0.002 0.000 0.876 149 S HN 0.336 nan 8.310 nan 0.000 0.448 150 L N 0.154 121.180 121.223 -0.328 0.000 2.083 150 L HA -0.107 4.233 4.340 -0.000 0.000 0.209 150 L C 2.432 179.136 176.870 -0.275 0.000 1.083 150 L CA 1.702 56.245 54.840 -0.496 0.000 0.752 150 L CB -0.670 41.022 42.059 -0.613 0.000 0.899 150 L HN 0.473 nan 8.230 nan 0.000 0.433 151 H N -0.588 118.413 119.070 -0.115 0.000 2.321 151 H HA -0.137 4.419 4.556 -0.000 0.000 0.300 151 H C 2.336 177.652 175.328 -0.020 0.000 1.087 151 H CA 1.122 57.144 56.048 -0.043 0.000 1.319 151 H CB 0.154 29.954 29.762 0.064 0.000 1.379 151 H HN 0.186 nan 8.280 nan 0.000 0.501 152 L N -0.025 121.283 121.223 0.141 0.000 2.046 152 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 152 L C 2.818 179.730 176.870 0.069 0.000 1.077 152 L CA 1.020 55.917 54.840 0.094 0.000 0.747 152 L CB -0.724 41.393 42.059 0.097 0.000 0.896 152 L HN 0.356 nan 8.230 nan 0.000 0.432 153 A N 0.462 123.308 122.820 0.043 0.000 1.933 153 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 153 A C 2.403 180.017 177.584 0.051 0.000 1.175 153 A CA 1.658 53.727 52.037 0.053 0.000 0.628 153 A CB -1.068 17.885 19.000 -0.078 0.000 0.814 153 A HN 0.446 nan 8.150 nan 0.000 0.444 154 G N -0.535 108.261 108.800 -0.005 0.000 2.421 154 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 154 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 154 G C 1.509 176.442 174.900 0.055 0.000 1.171 154 G CA 1.225 46.334 45.100 0.014 0.000 0.775 154 G HN 0.308 nan 8.290 nan 0.000 0.543 155 V N 0.941 120.889 119.914 0.056 0.000 2.343 155 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 155 V C 3.061 179.195 176.094 0.065 0.000 1.051 155 V CA 2.226 64.556 62.300 0.050 0.000 1.036 155 V CB -0.426 31.417 31.823 0.035 0.000 0.654 155 V HN 0.512 nan 8.190 nan 0.000 0.451 156 S N -0.358 115.387 115.700 0.076 0.000 2.359 156 S HA -0.243 4.227 4.470 -0.000 0.000 0.224 156 S C 2.227 176.906 174.600 0.132 0.000 1.035 156 S CA 2.343 60.601 58.200 0.097 0.000 1.018 156 S CB -0.353 62.902 63.200 0.092 0.000 0.876 156 S HN 0.573 nan 8.310 nan 0.000 0.448 157 S N 0.804 116.587 115.700 0.139 0.000 2.383 157 S HA 0.097 4.567 4.470 -0.000 0.000 0.227 157 S C 1.749 176.433 174.600 0.140 0.000 1.026 157 S CA 1.244 59.536 58.200 0.154 0.000 0.981 157 S CB -0.409 62.891 63.200 0.166 0.000 0.818 157 S HN 0.540 nan 8.310 nan 0.000 0.472 158 I N 1.313 121.952 120.570 0.114 0.000 2.202 158 I HA -0.170 4.000 4.170 -0.000 0.000 0.242 158 I C 1.944 178.119 176.117 0.096 0.000 1.091 158 I CA 1.082 62.442 61.300 0.100 0.000 1.368 158 I CB -0.285 37.759 38.000 0.073 0.000 1.058 158 I HN 0.243 nan 8.210 nan 0.000 0.410 159 L N 0.150 121.423 121.223 0.084 0.000 2.141 159 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 159 L C 2.620 179.552 176.870 0.104 0.000 1.094 159 L CA 1.401 56.285 54.840 0.073 0.000 0.763 159 L CB -1.136 40.955 42.059 0.053 0.000 0.908 159 L HN 0.331 nan 8.230 nan 0.000 0.437 160 G N -0.332 108.547 108.800 0.132 0.000 2.408 160 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.217 160 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.217 160 G C 1.796 176.833 174.900 0.229 0.000 1.150 160 G CA 0.747 45.941 45.100 0.158 0.000 0.776 160 G HN 0.446 nan 8.290 nan 0.000 0.542 161 A N 0.873 123.821 122.820 0.214 0.000 1.902 161 A HA 0.051 4.371 4.320 -0.000 0.000 0.217 161 A C 2.380 180.074 177.584 0.182 0.000 1.181 161 A CA 1.220 53.386 52.037 0.215 0.000 0.623 161 A CB -0.362 18.733 19.000 0.157 0.000 0.818 161 A HN 0.364 nan 8.150 nan 0.000 0.443 162 I N -0.153 120.506 120.570 0.148 0.000 2.208 162 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 162 I C 2.485 178.720 176.117 0.197 0.000 1.097 162 I CA 1.364 62.756 61.300 0.154 0.000 1.363 162 I CB -0.430 37.642 38.000 0.121 0.000 1.051 162 I HN 0.356 nan 8.210 nan 0.000 0.413 163 N N 0.980 119.779 118.700 0.164 0.000 2.058 163 N HA -0.174 4.566 4.740 -0.000 0.000 0.191 163 N C 1.914 177.332 175.510 -0.153 0.000 1.037 163 N CA 1.733 54.802 53.050 0.030 0.000 0.848 163 N CB -0.298 38.132 38.487 -0.096 0.000 1.021 163 N HN 0.222 nan 8.380 nan 0.000 0.422 164 F N 0.995 120.935 119.950 -0.015 0.000 2.102 164 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 164 F C 2.335 178.084 175.800 -0.084 0.000 1.105 164 F CA 0.668 58.626 58.000 -0.070 0.000 1.239 164 F CB -0.205 38.755 39.000 -0.068 0.000 0.991 164 F HN 0.007 nan 8.300 nan 0.000 0.474 165 I N -0.569 120.088 120.570 0.145 0.000 2.179 165 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 165 I C 2.279 178.393 176.117 -0.005 0.000 1.088 165 I CA 1.597 62.931 61.300 0.057 0.000 1.357 165 I CB -0.838 37.203 38.000 0.069 0.000 1.051 165 I HN 0.101 nan 8.210 nan 0.000 0.409 166 T N -0.085 114.464 114.554 -0.008 0.000 2.708 166 T HA -0.169 4.181 4.350 -0.000 0.000 0.266 166 T C 1.930 176.525 174.700 -0.174 0.000 1.037 166 T CA 2.073 64.127 62.100 -0.077 0.000 1.146 166 T CB -0.455 68.362 68.868 -0.085 0.000 0.865 166 T HN 0.370 nan 8.240 nan 0.000 0.435 167 T N 2.292 116.716 114.554 -0.217 0.000 2.684 167 T HA -0.012 4.338 4.350 -0.000 0.000 0.267 167 T C 1.987 176.588 174.700 -0.166 0.000 1.036 167 T CA 1.100 63.061 62.100 -0.232 0.000 1.148 167 T CB -0.463 68.257 68.868 -0.247 0.000 0.863 167 T HN 0.338 nan 8.240 nan 0.000 0.436 168 I N 0.452 120.951 120.570 -0.117 0.000 2.394 168 I HA -0.105 4.065 4.170 -0.000 0.000 0.251 168 I C 1.965 177.973 176.117 -0.182 0.000 1.136 168 I CA 0.739 61.950 61.300 -0.148 0.000 1.425 168 I CB -0.266 37.645 38.000 -0.149 0.000 1.079 168 I HN 0.194 nan 8.210 nan 0.000 0.425 169 I N 0.404 120.884 120.570 -0.151 0.000 2.400 169 I HA -0.144 4.026 4.170 -0.000 0.000 0.248 169 I C 2.052 178.092 176.117 -0.128 0.000 1.109 169 I CA 1.444 62.659 61.300 -0.142 0.000 1.425 169 I CB -1.270 36.671 38.000 -0.097 0.000 1.094 169 I HN 0.247 nan 8.210 nan 0.000 0.425 170 N N 0.129 118.752 118.700 -0.129 0.000 2.356 170 N HA 0.086 4.826 4.740 -0.000 0.000 0.178 170 N C 1.103 176.532 175.510 -0.135 0.000 1.075 170 N CA 0.458 53.435 53.050 -0.122 0.000 0.889 170 N CB 0.228 38.642 38.487 -0.121 0.000 0.999 170 N HN 0.147 nan 8.380 nan 0.000 0.464 171 M N 0.057 119.563 119.600 -0.157 0.000 2.685 171 M HA 0.222 4.702 4.480 -0.000 0.000 0.355 171 M C -0.467 175.736 176.300 -0.161 0.000 1.197 171 M CA -0.199 55.004 55.300 -0.160 0.000 0.947 171 M CB 0.721 33.207 32.600 -0.189 0.000 1.346 171 M HN -0.159 nan 8.290 nan 0.000 0.516 172 K N 1.060 121.371 120.400 -0.148 0.000 2.090 172 K HA 0.446 4.766 4.320 -0.000 0.000 0.250 172 K C -2.433 174.091 176.600 -0.126 0.000 1.004 172 K CA -1.688 54.511 56.287 -0.145 0.000 0.919 172 K CB 0.120 32.537 32.500 -0.139 0.000 1.045 172 K HN -0.136 nan 8.250 nan 0.000 0.471 173 P HA 0.013 nan 4.420 nan 0.000 0.266 173 P C -2.117 175.128 177.300 -0.091 0.000 1.195 173 P CA -0.949 62.090 63.100 -0.102 0.000 0.768 173 P CB 0.162 31.806 31.700 -0.093 0.000 0.838 174 P HA -0.244 nan 4.420 nan 0.000 0.217 174 P C 0.940 178.197 177.300 -0.072 0.000 1.148 174 P CA 1.905 64.959 63.100 -0.076 0.000 0.834 174 P CB -0.193 31.462 31.700 -0.074 0.000 0.783 175 A N -1.898 120.874 122.820 -0.081 0.000 2.178 175 A HA 0.093 4.413 4.320 -0.000 0.000 0.211 175 A C 1.246 178.802 177.584 -0.048 0.000 1.157 175 A CA -0.012 51.984 52.037 -0.068 0.000 0.780 175 A CB -0.835 18.110 19.000 -0.091 0.000 0.828 175 A HN 0.167 nan 8.150 nan 0.000 0.476 176 M N 2.263 121.830 119.600 -0.055 0.000 2.143 176 M HA 0.267 4.747 4.480 -0.000 0.000 0.348 176 M C 0.432 176.703 176.300 -0.049 0.000 1.375 176 M CA -0.222 55.052 55.300 -0.043 0.000 1.124 176 M CB 0.548 33.115 32.600 -0.054 0.000 1.669 176 M HN 0.414 nan 8.290 nan 0.000 0.469 177 S N 3.388 119.077 115.700 -0.019 0.000 2.655 177 S HA 0.146 4.616 4.470 -0.000 0.000 0.265 177 S C 0.623 175.162 174.600 -0.101 0.000 1.240 177 S CA -0.478 57.697 58.200 -0.043 0.000 0.986 177 S CB 1.350 64.572 63.200 0.037 0.000 0.985 177 S HN 0.833 nan 8.310 nan 0.000 0.562 178 Q N -0.468 119.177 119.800 -0.259 0.000 2.291 178 Q HA 0.034 4.374 4.340 -0.000 0.000 0.205 178 Q C 0.423 176.384 176.000 -0.065 0.000 0.970 178 Q CA 1.527 57.105 55.803 -0.376 0.000 0.876 178 Q CB -0.498 27.898 28.738 -0.570 0.000 0.935 178 Q HN 0.836 nan 8.270 nan 0.000 0.455 179 Y N -0.679 119.841 120.300 0.368 0.000 2.470 179 Y HA 0.182 4.732 4.550 -0.000 0.000 0.302 179 Y C 0.667 176.748 175.900 0.301 0.000 1.194 179 Y CA 0.244 58.656 58.100 0.519 0.000 1.271 179 Y CB 0.178 38.855 38.460 0.362 0.000 1.092 179 Y HN 0.130 nan 8.280 nan 0.000 0.513 180 Q N -0.641 119.319 119.800 0.268 0.000 2.118 180 Q HA 0.124 4.464 4.340 -0.000 0.000 0.219 180 Q C 0.228 176.302 176.000 0.124 0.000 0.794 180 Q CA -0.157 55.707 55.803 0.102 0.000 1.035 180 Q CB 0.920 29.686 28.738 0.047 0.000 1.177 180 Q HN 0.268 nan 8.270 nan 0.000 0.478 181 T N -2.026 112.662 114.554 0.224 0.000 2.907 181 T HA 0.582 4.932 4.350 -0.000 0.000 0.284 181 T C -2.579 172.369 174.700 0.413 0.000 1.004 181 T CA -2.235 59.963 62.100 0.164 0.000 1.063 181 T CB 1.480 70.289 68.868 -0.097 0.000 0.992 181 T HN -0.230 nan 8.240 nan 0.000 0.483 182 P HA 0.168 nan 4.420 nan 0.000 0.269 182 P C 1.057 178.761 177.300 0.674 0.000 1.215 182 P CA -0.461 62.960 63.100 0.535 0.000 0.780 182 P CB 0.430 32.476 31.700 0.577 0.000 0.898 183 L N 0.682 122.335 121.223 0.716 0.000 2.187 183 L HA -0.182 4.158 4.340 -0.000 0.000 0.213 183 L C 2.106 179.345 176.870 0.616 0.000 1.100 183 L CA 1.365 56.579 54.840 0.623 0.000 0.765 183 L CB -0.615 41.725 42.059 0.467 0.000 0.904 183 L HN 0.390 nan 8.230 nan 0.000 0.437 184 F N 0.282 120.557 119.950 0.541 0.000 2.186 184 F HA -0.152 4.375 4.527 -0.000 0.000 0.299 184 F C 2.211 178.087 175.800 0.128 0.000 1.090 184 F CA 1.246 59.342 58.000 0.159 0.000 1.307 184 F CB -0.288 38.559 39.000 -0.256 0.000 1.019 184 F HN -0.256 nan 8.300 nan 0.000 0.489 185 V N -0.893 119.078 119.914 0.094 0.000 2.343 185 V HA -0.329 3.791 4.120 -0.000 0.000 0.247 185 V C 2.131 178.162 176.094 -0.106 0.000 1.051 185 V CA 2.081 64.319 62.300 -0.104 0.000 1.036 185 V CB -1.089 30.722 31.823 -0.020 0.000 0.654 185 V HN 0.499 nan 8.190 nan 0.000 0.451 186 W N 0.810 122.110 121.300 -0.001 0.000 2.358 186 W HA -0.231 4.429 4.660 -0.000 0.000 0.303 186 W C 3.035 179.520 176.519 -0.056 0.000 1.208 186 W CA 1.906 59.248 57.345 -0.004 0.000 1.274 186 W CB -0.408 29.076 29.460 0.042 0.000 1.138 186 W HN 0.371 nan 8.180 nan 0.000 0.515 187 S N -0.422 115.386 115.700 0.180 0.000 2.382 187 S HA -0.194 4.276 4.470 -0.000 0.000 0.228 187 S C 1.704 176.225 174.600 -0.132 0.000 1.027 187 S CA 1.631 59.866 58.200 0.058 0.000 0.991 187 S CB -1.033 62.227 63.200 0.100 0.000 0.823 187 S HN 0.064 nan 8.310 nan 0.000 0.469 188 V N 1.905 121.593 119.914 -0.376 0.000 2.379 188 V HA -0.093 4.027 4.120 -0.000 0.000 0.245 188 V C 2.621 178.550 176.094 -0.275 0.000 1.044 188 V CA 2.091 64.093 62.300 -0.497 0.000 1.036 188 V CB -0.744 30.581 31.823 -0.829 0.000 0.664 188 V HN 0.605 nan 8.190 nan 0.000 0.453 189 M N -0.262 119.243 119.600 -0.158 0.000 2.086 189 M HA -0.181 4.299 4.480 -0.000 0.000 0.261 189 M C 2.062 178.382 176.300 0.034 0.000 1.067 189 M CA 2.135 57.404 55.300 -0.052 0.000 1.116 189 M CB -0.276 32.280 32.600 -0.074 0.000 1.348 189 M HN 0.240 nan 8.290 nan 0.000 0.407 190 I N -0.485 120.141 120.570 0.094 0.000 2.226 190 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 190 I C 2.140 178.310 176.117 0.088 0.000 1.100 190 I CA 1.552 62.932 61.300 0.132 0.000 1.374 190 I CB -0.805 37.298 38.000 0.173 0.000 1.057 190 I HN 0.360 nan 8.210 nan 0.000 0.413 191 T N 0.786 115.354 114.554 0.023 0.000 2.746 191 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 191 T C 2.079 176.795 174.700 0.026 0.000 1.039 191 T CA 1.513 63.612 62.100 -0.002 0.000 1.142 191 T CB -0.304 68.513 68.868 -0.085 0.000 0.866 191 T HN 0.491 nan 8.240 nan 0.000 0.444 192 A N 0.878 123.706 122.820 0.012 0.000 1.902 192 A HA -0.057 4.263 4.320 -0.000 0.000 0.217 192 A C 2.575 180.225 177.584 0.110 0.000 1.181 192 A CA 1.371 53.450 52.037 0.070 0.000 0.623 192 A CB -0.977 18.078 19.000 0.091 0.000 0.818 192 A HN 0.366 nan 8.150 nan 0.000 0.443 193 V N 0.405 120.387 119.914 0.114 0.000 2.343 193 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 193 V C 2.549 178.764 176.094 0.202 0.000 1.051 193 V CA 1.848 64.231 62.300 0.139 0.000 1.036 193 V CB -0.754 31.151 31.823 0.137 0.000 0.654 193 V HN 0.570 nan 8.190 nan 0.000 0.451 194 L N -0.810 120.552 121.223 0.231 0.000 2.046 194 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 194 L C 2.450 179.478 176.870 0.262 0.000 1.077 194 L CA 1.542 56.576 54.840 0.324 0.000 0.747 194 L CB -0.694 41.449 42.059 0.140 0.000 0.896 194 L HN 0.316 nan 8.230 nan 0.000 0.432 195 L N -0.458 120.869 121.223 0.174 0.000 2.046 195 L HA -0.242 4.098 4.340 -0.000 0.000 0.208 195 L C 2.606 179.591 176.870 0.191 0.000 1.077 195 L CA 0.899 55.845 54.840 0.177 0.000 0.747 195 L CB -0.407 41.737 42.059 0.143 0.000 0.896 195 L HN 0.213 nan 8.230 nan 0.000 0.432 196 L N -0.497 120.827 121.223 0.169 0.000 2.079 196 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 196 L C 2.204 179.163 176.870 0.148 0.000 1.081 196 L CA 1.736 56.659 54.840 0.140 0.000 0.752 196 L CB -0.157 41.971 42.059 0.114 0.000 0.896 196 L HN 0.139 nan 8.230 nan 0.000 0.433 197 L N -1.763 119.579 121.223 0.198 0.000 2.202 197 L HA -0.019 4.321 4.340 -0.000 0.000 0.205 197 L C 2.536 179.610 176.870 0.339 0.000 1.083 197 L CA 0.960 55.922 54.840 0.202 0.000 0.790 197 L CB -0.606 41.492 42.059 0.066 0.000 0.942 197 L HN 0.392 nan 8.230 nan 0.000 0.452 198 S N -0.054 115.895 115.700 0.415 0.000 2.388 198 S HA -0.043 4.427 4.470 -0.000 0.000 0.223 198 S C 1.976 176.790 174.600 0.357 0.000 1.034 198 S CA 0.299 58.744 58.200 0.408 0.000 0.963 198 S CB -0.633 62.718 63.200 0.251 0.000 0.827 198 S HN 0.255 nan 8.310 nan 0.000 0.481 199 L N 1.855 123.245 121.223 0.280 0.000 2.079 199 L HA -0.019 4.321 4.340 -0.000 0.000 0.210 199 L C -0.742 176.130 176.870 0.004 0.000 1.081 199 L CA 1.328 56.214 54.840 0.078 0.000 0.752 199 L CB -1.386 40.722 42.059 0.082 0.000 0.896 199 L HN 0.296 nan 8.230 nan 0.000 0.433 200 P HA -0.113 nan 4.420 nan 0.000 0.218 200 P C 1.824 179.129 177.300 0.009 0.000 1.149 200 P CA 0.967 64.086 63.100 0.031 0.000 0.817 200 P CB 0.132 31.860 31.700 0.047 0.000 0.785 201 V N -0.496 119.447 119.914 0.049 0.000 2.379 201 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 201 V C 2.325 178.382 176.094 -0.063 0.000 1.044 201 V CA 1.339 63.648 62.300 0.016 0.000 1.036 201 V CB -1.163 30.744 31.823 0.140 0.000 0.664 201 V HN 0.064 nan 8.190 nan 0.000 0.453 202 L N 1.145 122.289 121.223 -0.132 0.000 2.017 202 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 202 L C 2.481 179.215 176.870 -0.227 0.000 1.073 202 L CA 2.394 57.034 54.840 -0.334 0.000 0.745 202 L CB -0.888 40.662 42.059 -0.848 0.000 0.894 202 L HN 0.206 nan 8.230 nan 0.000 0.432 203 A N -0.316 122.417 122.820 -0.145 0.000 1.908 203 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 203 A C 2.466 180.068 177.584 0.029 0.000 1.181 203 A CA 2.105 54.139 52.037 -0.005 0.000 0.627 203 A CB -1.282 17.752 19.000 0.056 0.000 0.818 203 A HN 0.630 nan 8.150 nan 0.000 0.445 204 A N -0.523 122.280 122.820 -0.028 0.000 1.858 204 A HA 0.103 4.423 4.320 -0.000 0.000 0.216 204 A C 2.493 180.042 177.584 -0.057 0.000 1.190 204 A CA 2.075 54.081 52.037 -0.052 0.000 0.617 204 A CB -1.546 17.405 19.000 -0.081 0.000 0.827 204 A HN 0.803 nan 8.150 nan 0.000 0.443 205 G N 0.674 109.439 108.800 -0.059 0.000 2.440 205 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 205 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 205 G C 1.506 176.486 174.900 0.134 0.000 1.154 205 G CA 1.341 46.445 45.100 0.006 0.000 0.767 205 G HN 0.880 nan 8.290 nan 0.000 0.552 206 I N -1.959 118.633 120.570 0.038 0.000 2.761 206 I HA 0.059 4.229 4.170 -0.000 0.000 0.261 206 I C 2.245 178.374 176.117 0.019 0.000 1.198 206 I CA 1.384 62.702 61.300 0.029 0.000 1.482 206 I CB -0.507 37.383 38.000 -0.183 0.000 1.100 206 I HN -0.083 nan 8.210 nan 0.000 0.445 207 T N 1.456 116.053 114.554 0.072 0.000 2.857 207 T HA 0.062 4.412 4.350 -0.000 0.000 0.266 207 T C 1.899 176.629 174.700 0.050 0.000 1.048 207 T CA 1.501 63.670 62.100 0.114 0.000 1.139 207 T CB -0.146 68.792 68.868 0.117 0.000 0.874 207 T HN 0.321 nan 8.240 nan 0.000 0.455 208 M N 0.374 119.961 119.600 -0.022 0.000 2.229 208 M HA 0.048 4.528 4.480 -0.000 0.000 0.264 208 M C 2.149 178.567 176.300 0.195 0.000 1.063 208 M CA 0.990 56.191 55.300 -0.164 0.000 1.114 208 M CB -0.331 31.837 32.600 -0.721 0.000 1.387 208 M HN 0.160 nan 8.290 nan 0.000 0.420 209 L N 0.410 121.855 121.223 0.369 0.000 2.093 209 L HA -0.107 4.233 4.340 -0.000 0.000 0.208 209 L C 2.095 179.048 176.870 0.137 0.000 1.085 209 L CA 1.445 56.489 54.840 0.339 0.000 0.755 209 L CB -0.581 41.582 42.059 0.173 0.000 0.904 209 L HN 0.194 nan 8.230 nan 0.000 0.435 210 L N -0.635 120.628 121.223 0.066 0.000 2.046 210 L HA -0.181 4.159 4.340 -0.000 0.000 0.208 210 L C 2.575 179.484 176.870 0.066 0.000 1.077 210 L CA 2.475 57.318 54.840 0.005 0.000 0.747 210 L CB -0.963 41.077 42.059 -0.032 0.000 0.896 210 L HN 0.599 nan 8.230 nan 0.000 0.432 211 T N -4.713 109.910 114.554 0.115 0.000 2.904 211 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 211 T C 1.631 176.404 174.700 0.122 0.000 1.059 211 T CA 1.181 63.361 62.100 0.134 0.000 1.137 211 T CB -0.592 68.395 68.868 0.199 0.000 0.879 211 T HN 0.263 nan 8.240 nan 0.000 0.467 212 D N 1.293 121.784 120.400 0.152 0.000 2.178 212 D HA 0.031 4.671 4.640 -0.000 0.000 0.202 212 D C 2.452 178.799 176.300 0.079 0.000 0.974 212 D CA 0.812 54.879 54.000 0.112 0.000 0.841 212 D CB -0.142 40.757 40.800 0.165 0.000 0.953 212 D HN 0.433 nan 8.370 nan 0.000 0.478 213 R N -0.278 120.268 120.500 0.076 0.000 2.153 213 R HA 0.147 4.487 4.340 -0.000 0.000 0.218 213 R C 1.066 177.395 176.300 0.048 0.000 1.072 213 R CA 0.728 56.859 56.100 0.052 0.000 0.990 213 R CB 0.199 30.518 30.300 0.032 0.000 0.889 213 R HN 0.180 nan 8.270 nan 0.000 0.452 214 N N -0.836 117.896 118.700 0.054 0.000 2.211 214 N HA 0.107 4.847 4.740 -0.000 0.000 0.216 214 N C 0.727 176.267 175.510 0.050 0.000 1.240 214 N CA 0.250 53.333 53.050 0.055 0.000 0.895 214 N CB 1.129 39.657 38.487 0.069 0.000 1.102 214 N HN 0.096 nan 8.380 nan 0.000 0.498 215 L N 0.777 122.029 121.223 0.049 0.000 2.959 215 L HA 0.292 4.632 4.340 -0.000 0.000 0.259 215 L C -0.117 176.761 176.870 0.014 0.000 1.185 215 L CA -0.018 54.844 54.840 0.037 0.000 0.998 215 L CB 0.037 42.126 42.059 0.049 0.000 1.337 215 L HN -0.049 nan 8.230 nan 0.000 0.555 216 N N 0.656 119.363 118.700 0.010 0.000 2.741 216 N HA -0.136 4.604 4.740 -0.000 0.000 0.250 216 N C 0.515 175.993 175.510 -0.053 0.000 1.115 216 N CA 1.316 54.358 53.050 -0.013 0.000 0.724 216 N CB -1.278 37.200 38.487 -0.013 0.000 1.090 216 N HN 0.552 nan 8.380 nan 0.000 0.558 217 T N -2.454 112.064 114.554 -0.061 0.000 2.788 217 T HA 0.498 4.848 4.350 -0.000 0.000 0.287 217 T C 1.181 175.768 174.700 -0.189 0.000 1.007 217 T CA 0.350 62.337 62.100 -0.189 0.000 1.005 217 T CB 1.612 70.350 68.868 -0.215 0.000 1.012 217 T HN 0.244 nan 8.240 nan 0.000 0.530 218 T N -1.677 112.671 114.554 -0.344 0.000 3.633 218 T HA 0.319 4.669 4.350 -0.000 0.000 0.278 218 T C 0.682 175.219 174.700 -0.272 0.000 0.991 218 T CA -0.668 61.301 62.100 -0.218 0.000 1.036 218 T CB -0.948 67.834 68.868 -0.143 0.000 1.148 218 T HN 0.476 nan 8.240 nan 0.000 0.501 219 F N 0.921 120.662 119.950 -0.347 0.000 2.120 219 F HA 0.049 4.576 4.527 -0.000 0.000 0.300 219 F C 1.236 176.706 175.800 -0.551 0.000 1.095 219 F CA 1.311 58.955 58.000 -0.593 0.000 1.249 219 F CB -0.334 38.007 39.000 -1.099 0.000 0.995 219 F HN 0.360 nan 8.300 nan 0.000 0.480 220 F N -1.689 118.392 119.950 0.219 0.000 2.683 220 F HA 0.222 4.749 4.527 -0.000 0.000 0.306 220 F C 0.043 175.886 175.800 0.070 0.000 1.102 220 F CA -0.894 57.184 58.000 0.131 0.000 1.244 220 F CB -0.235 38.829 39.000 0.106 0.000 1.029 220 F HN -0.276 nan 8.300 nan 0.000 0.545 221 D N 1.676 122.155 120.400 0.133 0.000 2.373 221 D HA 0.260 4.900 4.640 -0.000 0.000 0.227 221 D C -1.986 174.345 176.300 0.051 0.000 1.091 221 D CA -2.515 51.534 54.000 0.082 0.000 0.840 221 D CB 2.001 42.827 40.800 0.042 0.000 1.060 221 D HN -0.098 nan 8.370 nan 0.000 0.502 222 P HA -0.134 nan 4.420 nan 0.000 0.217 222 P C 1.017 178.332 177.300 0.025 0.000 1.148 222 P CA 1.329 64.456 63.100 0.046 0.000 0.828 222 P CB 0.239 31.970 31.700 0.051 0.000 0.783 223 A N -0.392 122.440 122.820 0.020 0.000 2.024 223 A HA -0.077 4.243 4.320 -0.000 0.000 0.220 223 A C 2.204 179.784 177.584 -0.007 0.000 1.164 223 A CA 1.967 54.009 52.037 0.009 0.000 0.643 223 A CB -1.578 17.427 19.000 0.009 0.000 0.806 223 A HN 0.332 nan 8.150 nan 0.000 0.451 224 G N -2.747 106.042 108.800 -0.018 0.000 3.233 224 G HA2 0.408 4.368 3.960 -0.000 0.000 0.234 224 G HA3 0.408 4.368 3.960 -0.000 0.000 0.234 224 G C 1.005 175.877 174.900 -0.045 0.000 1.137 224 G CA 0.473 45.546 45.100 -0.044 0.000 0.763 224 G HN 1.590 nan 8.290 nan 0.000 0.549 225 G N -1.064 107.725 108.800 -0.018 0.000 2.157 225 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.239 225 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.239 225 G C 0.794 175.697 174.900 0.004 0.000 0.982 225 G CA 0.187 45.282 45.100 -0.007 0.000 0.650 225 G HN 0.976 nan 8.290 nan 0.000 0.527 226 G N -0.824 107.979 108.800 0.005 0.000 2.588 226 G HA2 0.508 4.468 3.960 -0.000 0.000 0.278 226 G HA3 0.508 4.468 3.960 -0.000 0.000 0.278 226 G C -0.702 174.263 174.900 0.108 0.000 1.307 226 G CA 0.578 45.701 45.100 0.039 0.000 1.016 226 G HN 0.532 nan 8.290 nan 0.000 0.503 227 D N -1.507 119.010 120.400 0.194 0.000 2.764 227 D HA 0.337 4.977 4.640 -0.000 0.000 0.227 227 D C -2.087 174.396 176.300 0.306 0.000 1.347 227 D CA -1.598 52.529 54.000 0.212 0.000 0.953 227 D CB 2.158 43.071 40.800 0.187 0.000 1.476 227 D HN -0.048 nan 8.370 nan 0.000 0.585 228 P HA -0.057 nan 4.420 nan 0.000 0.219 228 P C 1.578 178.887 177.300 0.014 0.000 1.146 228 P CA 0.453 63.617 63.100 0.107 0.000 0.808 228 P CB 0.312 32.031 31.700 0.032 0.000 0.779 229 I N -1.261 119.341 120.570 0.053 0.000 2.493 229 I HA -0.153 4.017 4.170 -0.000 0.000 0.254 229 I C 2.088 178.264 176.117 0.099 0.000 1.160 229 I CA 1.040 62.343 61.300 0.006 0.000 1.445 229 I CB -1.506 36.526 38.000 0.054 0.000 1.086 229 I HN 0.021 nan 8.210 nan 0.000 0.433 230 L N 0.675 122.051 121.223 0.254 0.000 2.046 230 L HA -0.256 4.084 4.340 -0.000 0.000 0.208 230 L C 2.593 179.603 176.870 0.233 0.000 1.077 230 L CA 1.838 56.888 54.840 0.350 0.000 0.747 230 L CB -1.205 41.127 42.059 0.454 0.000 0.896 230 L HN 0.253 nan 8.230 nan 0.000 0.432 231 Y N 0.160 120.375 120.300 -0.141 0.000 2.181 231 Y HA -0.284 4.266 4.550 -0.000 0.000 0.288 231 Y C 2.537 178.268 175.900 -0.280 0.000 1.146 231 Y CA 2.164 59.916 58.100 -0.580 0.000 1.164 231 Y CB -0.206 37.465 38.460 -1.314 0.000 0.982 231 Y HN 0.395 nan 8.280 nan 0.000 0.515 232 Q N -1.027 118.638 119.800 -0.226 0.000 2.084 232 Q HA -0.242 4.098 4.340 -0.000 0.000 0.202 232 Q C 2.054 178.077 176.000 0.039 0.000 0.978 232 Q CA 1.553 57.245 55.803 -0.185 0.000 0.844 232 Q CB -0.388 28.172 28.738 -0.297 0.000 0.898 232 Q HN 0.627 nan 8.270 nan 0.000 0.426 233 H N 0.643 119.784 119.070 0.118 0.000 2.321 233 H HA -0.081 4.475 4.556 -0.000 0.000 0.300 233 H C 2.253 177.561 175.328 -0.035 0.000 1.087 233 H CA 1.215 57.376 56.048 0.187 0.000 1.319 233 H CB -0.198 29.683 29.762 0.198 0.000 1.379 233 H HN 0.210 nan 8.280 nan 0.000 0.501 234 L N -0.543 120.678 121.223 -0.004 0.000 2.046 234 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 234 L C 2.547 179.302 176.870 -0.192 0.000 1.077 234 L CA 1.032 55.792 54.840 -0.133 0.000 0.747 234 L CB -0.539 41.423 42.059 -0.162 0.000 0.896 234 L HN 0.099 nan 8.230 nan 0.000 0.432 235 F N -0.113 119.533 119.950 -0.507 0.000 2.075 235 F HA -0.221 4.306 4.527 -0.000 0.000 0.297 235 F C 2.058 177.649 175.800 -0.348 0.000 1.113 235 F CA 1.506 59.158 58.000 -0.579 0.000 1.218 235 F CB -0.459 37.983 39.000 -0.931 0.000 0.984 235 F HN -0.046 nan 8.300 nan 0.000 0.472 236 W N -1.090 120.219 121.300 0.014 0.000 2.465 236 W HA -0.120 4.540 4.660 -0.000 0.000 0.268 236 W C 2.211 178.657 176.519 -0.121 0.000 1.242 236 W CA 0.469 57.787 57.345 -0.046 0.000 1.248 236 W CB -0.588 28.987 29.460 0.191 0.000 1.118 236 W HN 0.104 nan 8.180 nan 0.000 0.587 237 F N -0.139 119.695 119.950 -0.194 0.000 2.216 237 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 237 F C 2.143 177.836 175.800 -0.178 0.000 1.085 237 F CA 1.594 59.353 58.000 -0.401 0.000 1.326 237 F CB -0.426 38.209 39.000 -0.608 0.000 1.027 237 F HN -0.031 nan 8.300 nan 0.000 0.497 238 F N 0.183 119.982 119.950 -0.251 0.000 2.262 238 F HA 0.229 4.756 4.527 -0.000 0.000 0.292 238 F C 2.245 177.813 175.800 -0.387 0.000 1.081 238 F CA 1.276 59.086 58.000 -0.315 0.000 1.355 238 F CB -1.210 37.582 39.000 -0.346 0.000 1.069 238 F HN -0.112 nan 8.300 nan 0.000 0.506 239 G N -0.271 107.956 108.800 -0.954 0.000 2.476 239 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.218 239 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.218 239 G C 1.500 176.143 174.900 -0.428 0.000 1.164 239 G CA 1.540 46.127 45.100 -0.854 0.000 0.768 239 G HN 0.565 nan 8.290 nan 0.000 0.560 240 H N 1.676 120.666 119.070 -0.133 0.000 2.299 240 H HA 0.011 4.567 4.556 -0.000 0.000 0.302 240 H C 0.227 175.473 175.328 -0.136 0.000 1.078 240 H CA 1.592 57.629 56.048 -0.017 0.000 1.323 240 H CB -0.647 29.192 29.762 0.129 0.000 1.381 240 H HN 0.281 nan 8.280 nan 0.000 0.498 241 P HA -0.165 nan 4.420 nan 0.000 0.216 241 P C 1.237 178.272 177.300 -0.441 0.000 1.150 241 P CA 1.938 64.733 63.100 -0.510 0.000 0.843 241 P CB 0.033 31.179 31.700 -0.924 0.000 0.787 242 E N 0.054 119.851 120.200 -0.671 0.000 2.085 242 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 242 E C 1.738 178.068 176.600 -0.450 0.000 0.994 242 E CA 1.558 57.591 56.400 -0.612 0.000 0.801 242 E CB -1.263 27.835 29.700 -1.003 0.000 0.743 242 E HN 0.132 nan 8.360 nan 0.000 0.453 243 V N -1.089 118.513 119.914 -0.521 0.000 2.515 243 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 243 V C 1.871 177.624 176.094 -0.569 0.000 1.058 243 V CA 1.717 63.697 62.300 -0.534 0.000 1.064 243 V CB -1.054 30.432 31.823 -0.562 0.000 0.675 243 V HN 0.255 nan 8.190 nan 0.000 0.461 244 Y N 0.239 120.362 120.300 -0.295 0.000 2.337 244 Y HA 0.209 4.759 4.550 -0.000 0.000 0.293 244 Y C 2.330 178.114 175.900 -0.194 0.000 1.123 244 Y CA 1.426 59.420 58.100 -0.177 0.000 1.201 244 Y CB -0.383 38.024 38.460 -0.089 0.000 1.011 244 Y HN 0.189 nan 8.280 nan 0.000 0.545 245 I N -0.508 119.993 120.570 -0.115 0.000 2.394 245 I HA -0.290 3.880 4.170 -0.000 0.000 0.251 245 I C 1.847 177.875 176.117 -0.148 0.000 1.136 245 I CA 1.255 62.489 61.300 -0.111 0.000 1.425 245 I CB -0.250 37.681 38.000 -0.115 0.000 1.079 245 I HN 0.216 nan 8.210 nan 0.000 0.425 246 L N -0.541 120.558 121.223 -0.208 0.000 2.217 246 L HA -0.135 4.205 4.340 -0.000 0.000 0.211 246 L C 2.201 178.961 176.870 -0.184 0.000 1.107 246 L CA 0.791 55.509 54.840 -0.203 0.000 0.783 246 L CB -0.074 41.828 42.059 -0.262 0.000 0.919 246 L HN 0.244 nan 8.230 nan 0.000 0.442 247 I N -1.223 119.196 120.570 -0.252 0.000 3.526 247 I HA -0.034 4.136 4.170 -0.000 0.000 0.294 247 I C 1.965 177.746 176.117 -0.560 0.000 1.229 247 I CA 0.780 61.860 61.300 -0.367 0.000 1.408 247 I CB 0.206 37.944 38.000 -0.437 0.000 1.127 247 I HN 0.004 nan 8.210 nan 0.000 0.439 248 L N 1.290 122.280 121.223 -0.388 0.000 2.013 248 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 248 L C -0.469 176.373 176.870 -0.047 0.000 1.073 248 L CA 1.767 56.472 54.840 -0.224 0.000 0.753 248 L CB -1.790 40.248 42.059 -0.036 0.000 0.890 248 L HN 0.193 nan 8.230 nan 0.000 0.432 249 P HA -0.100 nan 4.420 nan 0.000 0.221 249 P C 1.500 178.897 177.300 0.161 0.000 1.150 249 P CA 1.483 64.628 63.100 0.076 0.000 0.800 249 P CB -0.129 31.602 31.700 0.053 0.000 0.787 250 G N -1.136 107.669 108.800 0.008 0.000 2.404 250 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.215 250 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.215 250 G C 1.444 176.328 174.900 -0.026 0.000 1.174 250 G CA 0.230 45.290 45.100 -0.066 0.000 0.780 250 G HN 0.225 nan 8.290 nan 0.000 0.537 251 F N 1.357 121.311 119.950 0.007 0.000 2.126 251 F HA -0.108 4.419 4.527 -0.000 0.000 0.299 251 F C 3.009 178.972 175.800 0.271 0.000 1.096 251 F CA 0.325 58.443 58.000 0.196 0.000 1.255 251 F CB -0.161 39.028 39.000 0.315 0.000 0.997 251 F HN 0.274 nan 8.300 nan 0.000 0.479 252 G N 0.295 109.382 108.800 0.478 0.000 2.421 252 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.216 252 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.216 252 G C 1.575 176.764 174.900 0.481 0.000 1.171 252 G CA 0.788 46.209 45.100 0.536 0.000 0.775 252 G HN 0.219 nan 8.290 nan 0.000 0.543 253 M N 0.104 119.862 119.600 0.264 0.000 2.175 253 M HA 0.035 4.515 4.480 -0.000 0.000 0.264 253 M C 2.455 178.764 176.300 0.015 0.000 1.063 253 M CA 0.831 56.164 55.300 0.056 0.000 1.119 253 M CB -0.300 32.222 32.600 -0.130 0.000 1.377 253 M HN 0.099 nan 8.290 nan 0.000 0.415 254 I N 0.014 120.496 120.570 -0.147 0.000 2.226 254 I HA -0.223 3.947 4.170 -0.000 0.000 0.245 254 I C 2.439 178.424 176.117 -0.219 0.000 1.100 254 I CA 1.454 62.505 61.300 -0.415 0.000 1.374 254 I CB -1.238 36.150 38.000 -1.020 0.000 1.057 254 I HN 0.235 nan 8.210 nan 0.000 0.413 255 S N -0.525 115.280 115.700 0.174 0.000 2.368 255 S HA -0.185 4.285 4.470 -0.000 0.000 0.225 255 S C 1.888 176.664 174.600 0.293 0.000 1.030 255 S CA 1.020 59.470 58.200 0.417 0.000 0.999 255 S CB -0.410 63.150 63.200 0.600 0.000 0.844 255 S HN 0.509 nan 8.310 nan 0.000 0.459 256 H N 0.315 119.494 119.070 0.182 0.000 2.357 256 H HA 0.055 4.611 4.556 -0.000 0.000 0.301 256 H C 2.156 177.460 175.328 -0.040 0.000 1.082 256 H CA 1.375 57.517 56.048 0.156 0.000 1.342 256 H CB -0.152 29.784 29.762 0.290 0.000 1.389 256 H HN 0.341 nan 8.280 nan 0.000 0.511 257 I N 0.307 120.846 120.570 -0.052 0.000 2.179 257 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 257 I C 2.542 178.654 176.117 -0.008 0.000 1.088 257 I CA 0.704 61.888 61.300 -0.194 0.000 1.357 257 I CB -0.182 37.693 38.000 -0.208 0.000 1.051 257 I HN 0.006 nan 8.210 nan 0.000 0.409 258 V N 0.560 120.457 119.914 -0.028 0.000 2.343 258 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 258 V C 2.512 178.631 176.094 0.043 0.000 1.051 258 V CA 2.503 64.805 62.300 0.002 0.000 1.036 258 V CB -0.902 30.906 31.823 -0.025 0.000 0.654 258 V HN 0.482 nan 8.190 nan 0.000 0.451 259 T N -1.155 113.438 114.554 0.065 0.000 2.737 259 T HA -0.227 4.123 4.350 -0.000 0.000 0.265 259 T C 1.737 176.416 174.700 -0.035 0.000 1.038 259 T CA 2.034 64.163 62.100 0.049 0.000 1.144 259 T CB -0.390 68.519 68.868 0.068 0.000 0.866 259 T HN 0.538 nan 8.240 nan 0.000 0.434 260 Y N 0.827 121.005 120.300 -0.203 0.000 2.097 260 Y HA -0.224 4.326 4.550 -0.000 0.000 0.282 260 Y C 1.841 177.452 175.900 -0.482 0.000 1.152 260 Y CA 1.412 59.275 58.100 -0.395 0.000 1.136 260 Y CB -0.374 37.702 38.460 -0.640 0.000 0.975 260 Y HN 0.241 nan 8.280 nan 0.000 0.498 261 Y N -1.125 119.157 120.300 -0.031 0.000 2.578 261 Y HA 0.016 4.566 4.550 -0.000 0.000 0.297 261 Y C 2.174 177.967 175.900 -0.179 0.000 1.176 261 Y CA 0.842 58.873 58.100 -0.115 0.000 1.315 261 Y CB -0.184 38.205 38.460 -0.117 0.000 1.031 261 Y HN 0.020 nan 8.280 nan 0.000 0.524 262 S N -0.981 114.679 115.700 -0.066 0.000 2.575 262 S HA 0.202 4.672 4.470 -0.000 0.000 0.215 262 S C 1.746 176.282 174.600 -0.107 0.000 0.966 262 S CA 0.560 58.713 58.200 -0.078 0.000 0.911 262 S CB -0.157 63.023 63.200 -0.033 0.000 0.780 262 S HN 0.653 nan 8.310 nan 0.000 0.514 263 G N 1.684 110.375 108.800 -0.182 0.000 2.179 263 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.257 263 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.257 263 G C -0.055 174.751 174.900 -0.157 0.000 1.010 263 G CA 0.298 45.270 45.100 -0.213 0.000 0.736 263 G HN 0.367 nan 8.290 nan 0.000 0.513 264 K N -0.196 120.130 120.400 -0.124 0.000 2.098 264 K HA 0.555 4.875 4.320 -0.000 0.000 0.261 264 K C 1.439 178.002 176.600 -0.062 0.000 0.987 264 K CA -0.182 56.069 56.287 -0.059 0.000 0.916 264 K CB 0.914 33.415 32.500 0.003 0.000 1.039 264 K HN 0.302 nan 8.250 nan 0.000 0.455 265 K N 1.084 121.468 120.400 -0.027 0.000 2.393 265 K HA 0.052 4.372 4.320 -0.000 0.000 0.193 265 K C -0.393 176.217 176.600 0.018 0.000 1.026 265 K CA 0.378 56.658 56.287 -0.013 0.000 1.064 265 K CB 0.196 32.691 32.500 -0.008 0.000 0.833 265 K HN 0.628 nan 8.250 nan 0.000 0.521 266 E N 0.391 120.612 120.200 0.036 0.000 2.396 266 E HA 0.288 4.638 4.350 -0.000 0.000 0.280 266 E C -3.152 173.515 176.600 0.112 0.000 1.065 266 E CA -2.119 54.320 56.400 0.065 0.000 0.831 266 E CB 1.413 31.141 29.700 0.046 0.000 1.272 266 E HN -0.159 nan 8.360 nan 0.000 0.443 267 P HA 0.146 nan 4.420 nan 0.000 0.277 267 P C -0.619 176.823 177.300 0.237 0.000 1.240 267 P CA -0.403 62.832 63.100 0.226 0.000 0.798 267 P CB 0.447 32.302 31.700 0.257 0.000 0.979 268 F N 1.932 121.961 119.950 0.132 0.000 2.529 268 F HA 0.354 4.881 4.527 -0.000 0.000 0.365 268 F C 1.335 177.190 175.800 0.092 0.000 1.102 268 F CA 1.231 59.295 58.000 0.106 0.000 1.271 268 F CB -0.126 38.937 39.000 0.105 0.000 1.120 268 F HN 0.703 nan 8.300 nan 0.000 0.579 269 G N 6.037 114.465 108.800 -0.619 0.000 2.372 269 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.297 269 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.297 269 G C 0.388 175.253 174.900 -0.057 0.000 1.005 269 G CA 0.638 45.510 45.100 -0.380 0.000 1.173 269 G HN 1.066 nan 8.290 nan 0.000 0.511 270 Y N 0.528 120.766 120.300 -0.103 0.000 2.069 270 Y HA -0.300 4.250 4.550 -0.000 0.000 0.278 270 Y C 2.675 178.549 175.900 -0.044 0.000 1.175 270 Y CA 2.760 60.847 58.100 -0.023 0.000 1.134 270 Y CB -0.109 38.360 38.460 0.016 0.000 0.965 270 Y HN 0.410 nan 8.280 nan 0.000 0.498 271 M N -0.058 119.571 119.600 0.048 0.000 2.159 271 M HA -0.123 4.357 4.480 -0.000 0.000 0.263 271 M C 2.432 178.656 176.300 -0.128 0.000 1.063 271 M CA 1.501 56.746 55.300 -0.092 0.000 1.110 271 M CB -1.975 30.601 32.600 -0.039 0.000 1.374 271 M HN 0.514 nan 8.290 nan 0.000 0.411 272 G N -0.373 108.376 108.800 -0.086 0.000 2.422 272 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 272 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 272 G C 1.520 176.453 174.900 0.055 0.000 1.140 272 G CA 0.446 45.544 45.100 -0.004 0.000 0.775 272 G HN 0.272 nan 8.290 nan 0.000 0.545 273 M N 0.395 119.940 119.600 -0.093 0.000 2.200 273 M HA 0.054 4.534 4.480 -0.000 0.000 0.265 273 M C 2.712 178.876 176.300 -0.228 0.000 1.066 273 M CA 0.623 55.834 55.300 -0.148 0.000 1.127 273 M CB -0.859 31.652 32.600 -0.148 0.000 1.379 273 M HN 0.108 nan 8.290 nan 0.000 0.420 274 V N -1.007 118.659 119.914 -0.414 0.000 2.307 274 V HA -0.260 3.860 4.120 -0.000 0.000 0.245 274 V C 2.090 177.981 176.094 -0.339 0.000 1.045 274 V CA 1.820 63.732 62.300 -0.646 0.000 1.024 274 V CB -0.826 30.378 31.823 -1.032 0.000 0.651 274 V HN 0.638 nan 8.190 nan 0.000 0.449 275 W N 1.225 122.326 121.300 -0.332 0.000 2.338 275 W HA -0.219 4.441 4.660 -0.000 0.000 0.304 275 W C 2.402 178.842 176.519 -0.132 0.000 1.212 275 W CA 2.209 59.434 57.345 -0.200 0.000 1.264 275 W CB -0.392 28.973 29.460 -0.158 0.000 1.142 275 W HN 0.189 nan 8.180 nan 0.000 0.512 276 A N 0.504 123.249 122.820 -0.125 0.000 1.883 276 A HA -0.234 4.086 4.320 -0.000 0.000 0.217 276 A C 2.061 179.463 177.584 -0.303 0.000 1.186 276 A CA 2.247 54.070 52.037 -0.355 0.000 0.624 276 A CB -0.920 18.025 19.000 -0.091 0.000 0.822 276 A HN 0.441 nan 8.150 nan 0.000 0.444 277 M N -1.316 118.185 119.600 -0.164 0.000 2.175 277 M HA -0.092 4.388 4.480 -0.000 0.000 0.264 277 M C 2.381 178.643 176.300 -0.063 0.000 1.063 277 M CA 1.392 56.672 55.300 -0.033 0.000 1.119 277 M CB -0.378 32.250 32.600 0.047 0.000 1.377 277 M HN 0.426 nan 8.290 nan 0.000 0.415 278 M N -0.806 118.706 119.600 -0.147 0.000 2.132 278 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 278 M C 2.250 178.484 176.300 -0.109 0.000 1.065 278 M CA 1.383 56.632 55.300 -0.086 0.000 1.122 278 M CB -0.448 32.094 32.600 -0.096 0.000 1.365 278 M HN 0.196 nan 8.290 nan 0.000 0.411 279 S N 1.019 116.512 115.700 -0.344 0.000 2.356 279 S HA -0.082 4.388 4.470 -0.000 0.000 0.223 279 S C 1.827 176.342 174.600 -0.142 0.000 1.032 279 S CA 1.158 59.157 58.200 -0.336 0.000 1.005 279 S CB -0.373 62.335 63.200 -0.819 0.000 0.867 279 S HN 0.369 nan 8.310 nan 0.000 0.449 280 I N 1.457 121.919 120.570 -0.179 0.000 2.226 280 I HA -0.159 4.011 4.170 -0.000 0.000 0.245 280 I C 2.675 178.687 176.117 -0.175 0.000 1.100 280 I CA 1.199 62.406 61.300 -0.156 0.000 1.374 280 I CB -0.804 37.188 38.000 -0.013 0.000 1.057 280 I HN 0.379 nan 8.210 nan 0.000 0.413 281 G N 0.491 109.273 108.800 -0.030 0.000 2.418 281 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.217 281 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.217 281 G C 1.578 176.566 174.900 0.148 0.000 1.158 281 G CA 0.556 45.689 45.100 0.055 0.000 0.771 281 G HN 0.329 nan 8.290 nan 0.000 0.545 282 F N 1.265 121.243 119.950 0.047 0.000 2.051 282 F HA 0.052 4.579 4.527 -0.000 0.000 0.296 282 F C 2.468 178.330 175.800 0.103 0.000 1.122 282 F CA 1.240 59.303 58.000 0.105 0.000 1.201 282 F CB -0.399 38.613 39.000 0.020 0.000 0.978 282 F HN 0.030 nan 8.300 nan 0.000 0.472 283 L N 0.181 121.320 121.223 -0.139 0.000 2.187 283 L HA -0.158 4.182 4.340 -0.000 0.000 0.213 283 L C 2.661 179.366 176.870 -0.275 0.000 1.100 283 L CA 1.161 55.869 54.840 -0.220 0.000 0.765 283 L CB -1.464 40.534 42.059 -0.101 0.000 0.904 283 L HN 0.393 nan 8.230 nan 0.000 0.437 284 G N -0.918 107.684 108.800 -0.330 0.000 2.498 284 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 284 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 284 G C 1.194 175.942 174.900 -0.254 0.000 1.119 284 G CA 0.272 45.168 45.100 -0.339 0.000 0.766 284 G HN 0.295 nan 8.290 nan 0.000 0.552 285 F N 0.063 119.891 119.950 -0.203 0.000 2.749 285 F HA 0.307 4.834 4.527 -0.000 0.000 0.300 285 F C 1.875 177.682 175.800 0.013 0.000 1.103 285 F CA -0.114 57.754 58.000 -0.222 0.000 1.342 285 F CB 0.424 39.268 39.000 -0.260 0.000 1.098 285 F HN 0.217 nan 8.300 nan 0.000 0.586 286 I N -1.913 118.752 120.570 0.158 0.000 3.833 286 I HA 0.254 4.424 4.170 -0.000 0.000 0.328 286 I C 0.360 176.617 176.117 0.233 0.000 1.554 286 I CA 0.015 61.501 61.300 0.310 0.000 1.116 286 I CB 0.143 38.215 38.000 0.121 0.000 1.182 286 I HN -0.095 nan 8.210 nan 0.000 0.459 287 V N -3.460 116.554 119.914 0.168 0.000 3.398 287 V HA 0.203 4.323 4.120 -0.000 0.000 0.298 287 V C 1.744 177.601 176.094 -0.394 0.000 1.496 287 V CA -0.116 62.174 62.300 -0.016 0.000 1.044 287 V CB -0.880 30.800 31.823 -0.237 0.000 0.880 287 V HN 0.702 nan 8.190 nan 0.000 0.443 288 W N 2.510 123.714 121.300 -0.159 0.000 2.308 288 W HA -0.122 4.538 4.660 -0.000 0.000 0.301 288 W C 1.863 178.091 176.519 -0.484 0.000 1.220 288 W CA 2.126 59.334 57.345 -0.228 0.000 1.240 288 W CB -0.965 28.531 29.460 0.061 0.000 1.142 288 W HN 0.247 nan 8.180 nan 0.000 0.521 289 A N 1.679 123.437 122.820 -1.771 0.000 2.216 289 A HA -0.202 4.118 4.320 -0.000 0.000 0.214 289 A C 1.824 178.590 177.584 -1.363 0.000 1.160 289 A CA 1.311 52.381 52.037 -1.612 0.000 0.725 289 A CB -1.842 15.754 19.000 -2.339 0.000 0.784 289 A HN 0.820 nan 8.150 nan 0.000 0.472 290 H N -3.101 115.229 119.070 -1.234 0.000 2.559 290 H HA 0.012 4.568 4.556 -0.000 0.000 0.273 290 H C 0.776 175.252 175.328 -1.419 0.000 1.000 290 H CA 0.877 55.874 56.048 -1.751 0.000 1.195 290 H CB -0.331 28.863 29.762 -0.947 0.000 1.368 290 H HN 0.677 nan 8.280 nan 0.000 0.592 291 H N 0.449 119.070 119.070 -0.749 0.000 2.529 291 H HA 0.215 4.771 4.556 -0.000 0.000 0.277 291 H C 0.519 175.488 175.328 -0.599 0.000 1.004 291 H CA 0.229 55.822 56.048 -0.758 0.000 1.167 291 H CB 0.536 29.326 29.762 -1.621 0.000 1.445 291 H HN 0.485 nan 8.280 nan 0.000 0.554 292 M N -0.514 118.751 119.600 -0.558 0.000 2.687 292 M HA 0.110 4.590 4.480 -0.000 0.000 0.413 292 M C 0.192 176.341 176.300 -0.252 0.000 1.216 292 M CA -0.194 54.899 55.300 -0.346 0.000 0.871 292 M CB 0.525 32.957 32.600 -0.279 0.000 1.481 292 M HN -0.085 nan 8.290 nan 0.000 0.521 293 F N 1.188 120.953 119.950 -0.309 0.000 2.408 293 F HA -0.096 4.431 4.527 -0.000 0.000 0.300 293 F C 2.544 178.234 175.800 -0.184 0.000 1.090 293 F CA 1.589 59.455 58.000 -0.224 0.000 1.427 293 F CB -0.781 38.098 39.000 -0.201 0.000 1.070 293 F HN 0.283 nan 8.300 nan 0.000 0.549 294 T N -3.729 110.783 114.554 -0.069 0.000 3.054 294 T HA 0.139 4.489 4.350 -0.000 0.000 0.255 294 T C 1.568 176.268 174.700 0.001 0.000 1.035 294 T CA 0.662 62.746 62.100 -0.027 0.000 0.941 294 T CB -0.696 68.167 68.868 -0.009 0.000 1.026 294 T HN 0.094 nan 8.240 nan 0.000 0.533 295 V N -1.263 118.642 119.914 -0.015 0.000 3.380 295 V HA 0.508 4.628 4.120 -0.000 0.000 0.268 295 V C 1.422 177.536 176.094 0.033 0.000 1.168 295 V CA 0.345 62.650 62.300 0.009 0.000 1.156 295 V CB -1.434 30.375 31.823 -0.024 0.000 0.785 295 V HN 0.840 nan 8.190 nan 0.000 0.487 296 G N 0.126 108.950 108.800 0.041 0.000 2.683 296 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.234 296 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.234 296 G C -0.448 174.492 174.900 0.066 0.000 1.135 296 G CA 0.121 45.252 45.100 0.051 0.000 0.975 296 G HN 0.471 nan 8.290 nan 0.000 0.511 297 M N 0.252 119.898 119.600 0.077 0.000 2.409 297 M HA 0.370 4.850 4.480 -0.000 0.000 0.329 297 M C 0.175 176.530 176.300 0.093 0.000 1.180 297 M CA -0.818 54.544 55.300 0.103 0.000 1.053 297 M CB 0.681 33.361 32.600 0.134 0.000 1.586 297 M HN 0.181 nan 8.290 nan 0.000 0.461 298 D N 0.983 121.443 120.400 0.100 0.000 2.478 298 D HA -0.060 4.580 4.640 -0.000 0.000 0.234 298 D C 0.845 177.192 176.300 0.078 0.000 1.154 298 D CA 0.081 54.129 54.000 0.081 0.000 0.874 298 D CB 0.831 41.681 40.800 0.083 0.000 1.198 298 D HN 0.342 nan 8.370 nan 0.000 0.455 299 V N 1.897 121.842 119.914 0.050 0.000 2.407 299 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 299 V C 1.188 177.311 176.094 0.048 0.000 1.055 299 V CA 1.837 64.156 62.300 0.032 0.000 1.049 299 V CB -0.117 31.713 31.823 0.011 0.000 0.662 299 V HN 0.426 nan 8.190 nan 0.000 0.455 300 D N -0.471 119.965 120.400 0.060 0.000 2.144 300 D HA -0.120 4.520 4.640 -0.000 0.000 0.200 300 D C 2.243 178.617 176.300 0.123 0.000 0.978 300 D CA 1.852 55.894 54.000 0.070 0.000 0.833 300 D CB -0.475 40.356 40.800 0.052 0.000 0.961 300 D HN 0.441 nan 8.370 nan 0.000 0.470 301 T N 0.800 115.448 114.554 0.158 0.000 2.746 301 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 301 T C 1.979 176.915 174.700 0.394 0.000 1.039 301 T CA 0.881 63.147 62.100 0.276 0.000 1.142 301 T CB 0.031 69.068 68.868 0.283 0.000 0.866 301 T HN 0.148 nan 8.240 nan 0.000 0.444 302 R N 0.774 121.429 120.500 0.258 0.000 2.115 302 R HA 0.103 4.443 4.340 -0.000 0.000 0.230 302 R C 2.761 179.116 176.300 0.091 0.000 1.111 302 R CA 1.105 57.331 56.100 0.211 0.000 0.976 302 R CB -0.341 29.960 30.300 0.002 0.000 0.870 302 R HN 0.337 nan 8.270 nan 0.000 0.445 303 A N 0.500 123.355 122.820 0.057 0.000 1.930 303 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 303 A C 1.944 179.533 177.584 0.008 0.000 1.175 303 A CA 1.020 53.061 52.037 0.006 0.000 0.627 303 A CB -0.576 18.431 19.000 0.012 0.000 0.815 303 A HN 0.456 nan 8.150 nan 0.000 0.443 304 Y N -0.525 119.765 120.300 -0.016 0.000 2.133 304 Y HA -0.173 4.377 4.550 -0.000 0.000 0.287 304 Y C 1.843 177.660 175.900 -0.139 0.000 1.134 304 Y CA 1.773 59.798 58.100 -0.124 0.000 1.133 304 Y CB -0.656 37.657 38.460 -0.245 0.000 0.987 304 Y HN 0.227 nan 8.280 nan 0.000 0.502 305 F N 0.316 120.062 119.950 -0.341 0.000 2.269 305 F HA -0.177 4.350 4.527 -0.000 0.000 0.301 305 F C 2.480 178.208 175.800 -0.120 0.000 1.082 305 F CA 1.886 59.683 58.000 -0.340 0.000 1.360 305 F CB -0.936 38.029 39.000 -0.058 0.000 1.041 305 F HN 0.040 nan 8.300 nan 0.000 0.512 306 T N -1.125 113.500 114.554 0.118 0.000 2.737 306 T HA -0.149 4.201 4.350 -0.000 0.000 0.265 306 T C 2.271 176.937 174.700 -0.057 0.000 1.038 306 T CA 1.729 63.862 62.100 0.054 0.000 1.144 306 T CB -0.322 68.496 68.868 -0.082 0.000 0.866 306 T HN 0.178 nan 8.240 nan 0.000 0.434 307 S N 1.500 117.112 115.700 -0.147 0.000 2.355 307 S HA -0.004 4.466 4.470 -0.000 0.000 0.222 307 S C 2.574 177.060 174.600 -0.189 0.000 1.031 307 S CA 0.967 59.077 58.200 -0.150 0.000 0.993 307 S CB -0.573 62.546 63.200 -0.136 0.000 0.859 307 S HN 0.568 nan 8.310 nan 0.000 0.453 308 A N 1.457 124.045 122.820 -0.387 0.000 1.902 308 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 308 A C 2.321 179.806 177.584 -0.164 0.000 1.181 308 A CA 2.016 53.852 52.037 -0.333 0.000 0.623 308 A CB -1.351 17.264 19.000 -0.642 0.000 0.818 308 A HN 0.475 nan 8.150 nan 0.000 0.443 309 T N 0.073 114.560 114.554 -0.111 0.000 2.746 309 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 309 T C 1.892 176.585 174.700 -0.011 0.000 1.039 309 T CA 1.791 63.891 62.100 -0.000 0.000 1.142 309 T CB -0.308 68.640 68.868 0.133 0.000 0.866 309 T HN 0.446 nan 8.240 nan 0.000 0.444 310 M N 0.210 119.795 119.600 -0.025 0.000 2.296 310 M HA 0.068 4.548 4.480 -0.000 0.000 0.265 310 M C 2.032 178.333 176.300 0.002 0.000 1.064 310 M CA 1.189 56.480 55.300 -0.014 0.000 1.109 310 M CB -0.506 32.082 32.600 -0.021 0.000 1.396 310 M HN 0.223 nan 8.290 nan 0.000 0.430 311 I N 0.345 120.911 120.570 -0.007 0.000 2.454 311 I HA -0.293 3.877 4.170 -0.000 0.000 0.254 311 I C 2.054 178.186 176.117 0.025 0.000 1.156 311 I CA 1.142 62.452 61.300 0.016 0.000 1.433 311 I CB -0.377 37.631 38.000 0.014 0.000 1.082 311 I HN 0.288 nan 8.210 nan 0.000 0.432 312 I N 0.908 121.485 120.570 0.011 0.000 2.567 312 I HA -0.260 3.910 4.170 -0.000 0.000 0.257 312 I C 2.706 178.862 176.117 0.064 0.000 1.184 312 I CA 0.977 62.287 61.300 0.016 0.000 1.451 312 I CB -0.554 37.457 38.000 0.018 0.000 1.089 312 I HN 0.199 nan 8.210 nan 0.000 0.441 313 A N 1.217 124.077 122.820 0.066 0.000 2.019 313 A HA -0.125 4.194 4.320 -0.000 0.000 0.219 313 A C 2.260 179.894 177.584 0.083 0.000 1.164 313 A CA 1.180 53.261 52.037 0.074 0.000 0.644 313 A CB -0.525 18.506 19.000 0.051 0.000 0.805 313 A HN 0.377 nan 8.150 nan 0.000 0.449 314 I N 0.416 121.042 120.570 0.092 0.000 2.133 314 I HA -0.138 4.032 4.170 -0.000 0.000 0.238 314 I C -0.273 175.943 176.117 0.165 0.000 1.074 314 I CA 1.407 62.793 61.300 0.143 0.000 1.342 314 I CB -1.193 36.908 38.000 0.168 0.000 1.053 314 I HN 0.229 nan 8.210 nan 0.000 0.404 315 P HA -0.117 nan 4.420 nan 0.000 0.218 315 P C 1.532 178.827 177.300 -0.008 0.000 1.149 315 P CA 1.622 64.710 63.100 -0.020 0.000 0.817 315 P CB -0.274 31.190 31.700 -0.392 0.000 0.785 316 T N -0.310 114.256 114.554 0.020 0.000 2.788 316 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 316 T C 2.170 176.827 174.700 -0.072 0.000 1.044 316 T CA 1.729 63.840 62.100 0.018 0.000 1.139 316 T CB -1.135 67.856 68.868 0.205 0.000 0.867 316 T HN 0.201 nan 8.240 nan 0.000 0.454 317 G N 1.113 109.899 108.800 -0.024 0.000 2.422 317 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 317 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 317 G C 1.690 176.546 174.900 -0.073 0.000 1.146 317 G CA 0.710 45.743 45.100 -0.112 0.000 0.769 317 G HN 0.429 nan 8.290 nan 0.000 0.547 318 V N 0.702 120.662 119.914 0.076 0.000 2.332 318 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 318 V C 2.821 178.861 176.094 -0.090 0.000 1.055 318 V CA 2.265 64.636 62.300 0.118 0.000 1.038 318 V CB -0.373 31.591 31.823 0.236 0.000 0.651 318 V HN 0.378 nan 8.190 nan 0.000 0.450 319 K N -0.507 119.695 120.400 -0.329 0.000 2.025 319 K HA -0.114 4.206 4.320 -0.000 0.000 0.207 319 K C 2.109 178.100 176.600 -1.016 0.000 1.049 319 K CA 1.344 57.142 56.287 -0.815 0.000 0.933 319 K CB -0.432 31.381 32.500 -1.144 0.000 0.714 319 K HN 0.315 nan 8.250 nan 0.000 0.438 320 V N 1.097 120.633 119.914 -0.631 0.000 2.255 320 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 320 V C 2.010 178.030 176.094 -0.124 0.000 1.051 320 V CA 1.838 63.984 62.300 -0.257 0.000 1.018 320 V CB -0.525 31.133 31.823 -0.276 0.000 0.641 320 V HN 0.230 nan 8.190 nan 0.000 0.445 321 F N -0.049 119.889 119.950 -0.018 0.000 2.293 321 F HA -0.132 4.395 4.527 -0.000 0.000 0.300 321 F C 2.594 178.355 175.800 -0.065 0.000 1.086 321 F CA 1.105 59.092 58.000 -0.020 0.000 1.375 321 F CB -0.292 38.688 39.000 -0.032 0.000 1.045 321 F HN 0.074 nan 8.300 nan 0.000 0.516 322 S N -0.949 114.790 115.700 0.065 0.000 2.387 322 S HA -0.138 4.332 4.470 -0.000 0.000 0.226 322 S C 1.683 176.381 174.600 0.163 0.000 1.026 322 S CA 0.645 58.911 58.200 0.110 0.000 0.972 322 S CB -0.285 62.969 63.200 0.090 0.000 0.814 322 S HN 0.400 nan 8.310 nan 0.000 0.477 323 W N 1.901 123.265 121.300 0.108 0.000 2.388 323 W HA 0.117 4.777 4.660 -0.000 0.000 0.294 323 W C 1.847 178.411 176.519 0.076 0.000 1.212 323 W CA 0.244 57.646 57.345 0.095 0.000 1.271 323 W CB -1.133 28.380 29.460 0.089 0.000 1.126 323 W HN 0.304 nan 8.180 nan 0.000 0.535 324 L N -0.059 121.344 121.223 0.298 0.000 2.093 324 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 324 L C 2.515 179.427 176.870 0.070 0.000 1.085 324 L CA 1.374 56.325 54.840 0.184 0.000 0.755 324 L CB -1.266 40.913 42.059 0.200 0.000 0.904 324 L HN -0.152 nan 8.230 nan 0.000 0.435 325 A N -0.687 122.097 122.820 -0.059 0.000 2.119 325 A HA -0.096 4.224 4.320 -0.000 0.000 0.217 325 A C 2.255 179.817 177.584 -0.037 0.000 1.153 325 A CA 1.587 53.441 52.037 -0.306 0.000 0.692 325 A CB -0.537 17.779 19.000 -1.141 0.000 0.799 325 A HN 0.350 nan 8.150 nan 0.000 0.458 326 T N 0.198 114.835 114.554 0.138 0.000 2.896 326 T HA 0.038 4.388 4.350 -0.000 0.000 0.263 326 T C 1.744 176.527 174.700 0.138 0.000 1.050 326 T CA 1.008 63.236 62.100 0.213 0.000 1.140 326 T CB -0.248 68.781 68.868 0.268 0.000 0.877 326 T HN 0.376 nan 8.240 nan 0.000 0.457 327 L N 0.255 121.549 121.223 0.119 0.000 2.093 327 L HA 0.005 4.345 4.340 -0.000 0.000 0.208 327 L C 1.323 178.240 176.870 0.079 0.000 1.085 327 L CA 0.517 55.396 54.840 0.065 0.000 0.755 327 L CB -0.693 41.397 42.059 0.052 0.000 0.904 327 L HN 0.327 nan 8.230 nan 0.000 0.435 328 H N 0.801 119.867 119.070 -0.007 0.000 3.216 328 H HA 0.136 4.692 4.556 -0.000 0.000 0.283 328 H C 1.126 176.454 175.328 -0.000 0.000 0.921 328 H CA 0.382 56.420 56.048 -0.016 0.000 1.419 328 H CB 0.129 29.858 29.762 -0.056 0.000 1.460 328 H HN 0.322 nan 8.280 nan 0.000 0.553 329 G N 2.990 111.607 108.800 -0.307 0.000 2.162 329 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.260 329 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.260 329 G C 0.662 175.489 174.900 -0.121 0.000 0.976 329 G CA 0.356 45.288 45.100 -0.280 0.000 0.655 329 G HN 1.030 nan 8.290 nan 0.000 0.533 330 G N -0.559 108.197 108.800 -0.074 0.000 2.476 330 G HA2 0.451 4.411 3.960 -0.000 0.000 0.286 330 G HA3 0.451 4.411 3.960 -0.000 0.000 0.286 330 G C 0.006 174.871 174.900 -0.059 0.000 1.177 330 G CA 0.043 45.107 45.100 -0.060 0.000 0.870 330 G HN 0.494 nan 8.290 nan 0.000 0.528 331 N N 1.258 119.921 118.700 -0.061 0.000 2.719 331 N HA 0.061 4.801 4.740 -0.000 0.000 0.243 331 N C 0.347 175.820 175.510 -0.063 0.000 1.104 331 N CA -0.654 52.369 53.050 -0.046 0.000 0.981 331 N CB -0.069 38.391 38.487 -0.046 0.000 1.290 331 N HN 0.165 nan 8.380 nan 0.000 0.513 332 I N 1.578 122.099 120.570 -0.082 0.000 2.662 332 I HA -0.026 4.144 4.170 -0.000 0.000 0.285 332 I C 0.817 176.837 176.117 -0.163 0.000 1.161 332 I CA 0.020 61.202 61.300 -0.196 0.000 1.415 332 I CB -0.299 37.471 38.000 -0.384 0.000 1.385 332 I HN 0.390 nan 8.210 nan 0.000 0.552 333 K N 7.127 127.451 120.400 -0.126 0.000 2.292 333 K HA 0.198 4.518 4.320 -0.000 0.000 0.270 333 K C -0.815 175.725 176.600 -0.099 0.000 1.062 333 K CA -0.262 56.031 56.287 0.010 0.000 0.916 333 K CB 0.222 32.815 32.500 0.155 0.000 1.166 333 K HN 0.360 nan 8.250 nan 0.000 0.458 334 W N 4.690 125.952 121.300 -0.064 0.000 1.435 334 W HA 0.089 4.749 4.660 -0.000 0.000 0.471 334 W C 0.295 176.697 176.519 -0.195 0.000 0.590 334 W CA -0.433 56.830 57.345 -0.137 0.000 2.419 334 W CB -0.578 28.814 29.460 -0.113 0.000 1.251 334 W HN 0.530 nan 8.180 nan 0.000 0.338 335 S N -0.387 115.208 115.700 -0.176 0.000 2.645 335 S HA 0.316 4.786 4.470 -0.000 0.000 0.266 335 S C -1.470 172.949 174.600 -0.301 0.000 1.258 335 S CA -1.153 56.888 58.200 -0.264 0.000 0.990 335 S CB 1.542 64.429 63.200 -0.522 0.000 0.967 335 S HN -0.036 nan 8.310 nan 0.000 0.556 336 P HA -0.028 nan 4.420 nan 0.000 0.215 336 P C 1.577 178.815 177.300 -0.104 0.000 1.153 336 P CA 1.848 64.873 63.100 -0.125 0.000 0.853 336 P CB -0.254 31.493 31.700 0.079 0.000 0.788 337 A N -0.797 121.936 122.820 -0.145 0.000 1.902 337 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 337 A C 2.230 179.682 177.584 -0.221 0.000 1.181 337 A CA 2.167 54.154 52.037 -0.084 0.000 0.623 337 A CB -1.472 17.438 19.000 -0.150 0.000 0.818 337 A HN 0.124 nan 8.150 nan 0.000 0.443 338 M N -0.584 118.696 119.600 -0.534 0.000 2.159 338 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 338 M C 2.028 178.136 176.300 -0.319 0.000 1.063 338 M CA 1.748 56.812 55.300 -0.395 0.000 1.110 338 M CB -0.593 31.712 32.600 -0.492 0.000 1.374 338 M HN 0.427 nan 8.290 nan 0.000 0.411 339 M N -1.852 117.467 119.600 -0.467 0.000 2.086 339 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 339 M C 1.951 177.801 176.300 -0.750 0.000 1.067 339 M CA 1.980 56.794 55.300 -0.810 0.000 1.116 339 M CB -0.670 31.083 32.600 -1.412 0.000 1.348 339 M HN 0.386 nan 8.290 nan 0.000 0.407 340 W N 0.157 121.209 121.300 -0.413 0.000 2.338 340 W HA -0.172 4.487 4.660 -0.000 0.000 0.304 340 W C 2.694 179.366 176.519 0.255 0.000 1.212 340 W CA 1.183 58.563 57.345 0.059 0.000 1.264 340 W CB -0.420 29.056 29.460 0.026 0.000 1.142 340 W HN 0.236 nan 8.180 nan 0.000 0.512 341 A N -0.112 122.867 122.820 0.266 0.000 1.930 341 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 341 A C 1.911 179.622 177.584 0.212 0.000 1.175 341 A CA 1.303 53.432 52.037 0.154 0.000 0.627 341 A CB -0.908 18.062 19.000 -0.050 0.000 0.815 341 A HN 0.297 nan 8.150 nan 0.000 0.443 342 L N -0.880 120.429 121.223 0.144 0.000 2.109 342 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 342 L C 2.794 179.887 176.870 0.371 0.000 1.086 342 L CA 0.904 55.850 54.840 0.176 0.000 0.760 342 L CB -0.765 41.322 42.059 0.047 0.000 0.910 342 L HN 0.471 nan 8.230 nan 0.000 0.437 343 G N -0.065 109.056 108.800 0.535 0.000 2.418 343 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.217 343 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.217 343 G C 1.493 176.762 174.900 0.615 0.000 1.158 343 G CA 0.531 46.123 45.100 0.818 0.000 0.771 343 G HN 0.289 nan 8.290 nan 0.000 0.545 344 F N 1.577 121.834 119.950 0.512 0.000 2.069 344 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 344 F C 2.501 178.466 175.800 0.275 0.000 1.113 344 F CA 1.519 59.710 58.000 0.319 0.000 1.214 344 F CB -0.263 38.892 39.000 0.259 0.000 0.978 344 F HN 0.107 nan 8.300 nan 0.000 0.474 345 I N -0.681 120.170 120.570 0.468 0.000 2.151 345 I HA -0.331 3.839 4.170 -0.000 0.000 0.243 345 I C 2.357 178.668 176.117 0.323 0.000 1.080 345 I CA 1.752 63.292 61.300 0.399 0.000 1.339 345 I CB -0.683 37.541 38.000 0.374 0.000 1.039 345 I HN 0.257 nan 8.210 nan 0.000 0.409 346 F N 1.541 121.607 119.950 0.194 0.000 2.098 346 F HA -0.118 4.409 4.527 -0.000 0.000 0.294 346 F C 2.203 178.060 175.800 0.095 0.000 1.107 346 F CA 1.537 59.630 58.000 0.156 0.000 1.234 346 F CB -0.408 38.715 39.000 0.205 0.000 1.002 346 F HN -0.154 nan 8.300 nan 0.000 0.472 347 L N -0.925 120.244 121.223 -0.090 0.000 2.046 347 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 347 L C 2.479 179.217 176.870 -0.221 0.000 1.077 347 L CA 1.623 56.329 54.840 -0.224 0.000 0.747 347 L CB -1.039 40.853 42.059 -0.279 0.000 0.896 347 L HN 0.238 nan 8.230 nan 0.000 0.432 348 F N 0.846 120.558 119.950 -0.396 0.000 2.134 348 F HA -0.239 4.288 4.527 -0.000 0.000 0.299 348 F C 2.456 178.145 175.800 -0.185 0.000 1.097 348 F CA 1.975 59.746 58.000 -0.382 0.000 1.264 348 F CB -0.318 38.252 39.000 -0.716 0.000 1.001 348 F HN -0.086 nan 8.300 nan 0.000 0.479 349 T N 0.240 114.629 114.554 -0.275 0.000 2.746 349 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 349 T C 2.122 176.604 174.700 -0.364 0.000 1.039 349 T CA 1.617 63.547 62.100 -0.284 0.000 1.142 349 T CB -0.582 68.238 68.868 -0.080 0.000 0.866 349 T HN 0.142 nan 8.240 nan 0.000 0.444 350 V N 1.310 120.962 119.914 -0.436 0.000 2.295 350 V HA -0.115 4.005 4.120 -0.000 0.000 0.246 350 V C 2.866 178.737 176.094 -0.372 0.000 1.049 350 V CA 2.070 64.098 62.300 -0.455 0.000 1.024 350 V CB -1.328 30.110 31.823 -0.642 0.000 0.648 350 V HN 0.590 nan 8.190 nan 0.000 0.447 351 G N -0.209 108.394 108.800 -0.329 0.000 2.408 351 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.217 351 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.217 351 G C 1.617 176.437 174.900 -0.133 0.000 1.150 351 G CA 0.899 45.875 45.100 -0.207 0.000 0.776 351 G HN 0.591 nan 8.290 nan 0.000 0.542 352 G N 0.904 109.467 108.800 -0.395 0.000 2.418 352 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.217 352 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.217 352 G C 1.793 176.602 174.900 -0.151 0.000 1.158 352 G CA 0.684 45.593 45.100 -0.318 0.000 0.771 352 G HN 0.421 nan 8.290 nan 0.000 0.545 353 L N 1.177 122.299 121.223 -0.168 0.000 2.093 353 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 353 L C 3.278 180.105 176.870 -0.072 0.000 1.085 353 L CA 1.660 56.435 54.840 -0.109 0.000 0.755 353 L CB -0.647 41.344 42.059 -0.114 0.000 0.904 353 L HN 0.406 nan 8.230 nan 0.000 0.435 354 T N -3.783 110.740 114.554 -0.051 0.000 2.995 354 T HA -0.042 4.308 4.350 -0.000 0.000 0.269 354 T C 1.914 176.560 174.700 -0.089 0.000 1.091 354 T CA 0.771 62.888 62.100 0.028 0.000 1.128 354 T CB -0.587 68.278 68.868 -0.004 0.000 0.891 354 T HN 0.373 nan 8.240 nan 0.000 0.492 355 G N 1.801 110.448 108.800 -0.255 0.000 2.408 355 G HA2 -0.048 3.912 3.960 -0.000 0.000 0.217 355 G HA3 -0.048 3.912 3.960 -0.000 0.000 0.217 355 G C 1.443 176.168 174.900 -0.292 0.000 1.150 355 G CA 0.468 45.196 45.100 -0.621 0.000 0.776 355 G HN 0.441 nan 8.290 nan 0.000 0.542 356 I N 0.995 121.475 120.570 -0.150 0.000 2.394 356 I HA -0.080 4.090 4.170 -0.000 0.000 0.251 356 I C 2.878 178.942 176.117 -0.087 0.000 1.136 356 I CA 0.599 61.842 61.300 -0.096 0.000 1.425 356 I CB -0.804 37.163 38.000 -0.056 0.000 1.079 356 I HN 0.029 nan 8.210 nan 0.000 0.425 357 V N 0.954 120.827 119.914 -0.069 0.000 2.307 357 V HA -0.240 3.880 4.120 -0.000 0.000 0.245 357 V C 2.532 178.565 176.094 -0.101 0.000 1.045 357 V CA 1.425 63.689 62.300 -0.061 0.000 1.024 357 V CB -0.499 31.330 31.823 0.011 0.000 0.651 357 V HN 0.310 nan 8.190 nan 0.000 0.449 358 L N 0.190 121.345 121.223 -0.113 0.000 2.201 358 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 358 L C 2.630 179.451 176.870 -0.080 0.000 1.105 358 L CA 1.189 55.955 54.840 -0.123 0.000 0.775 358 L CB -0.731 41.216 42.059 -0.187 0.000 0.913 358 L HN 0.352 nan 8.230 nan 0.000 0.440 359 A N -0.434 122.322 122.820 -0.106 0.000 2.070 359 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 359 A C 0.994 178.594 177.584 0.027 0.000 1.159 359 A CA 0.887 52.920 52.037 -0.006 0.000 0.656 359 A CB -0.572 18.398 19.000 -0.050 0.000 0.800 359 A HN 0.428 nan 8.150 nan 0.000 0.453 360 N N 1.238 119.891 118.700 -0.078 0.000 2.402 360 N HA 0.087 4.827 4.740 -0.000 0.000 0.259 360 N C 1.214 176.551 175.510 -0.288 0.000 1.167 360 N CA 0.676 53.628 53.050 -0.162 0.000 0.949 360 N CB 1.085 39.494 38.487 -0.131 0.000 1.212 360 N HN 0.534 nan 8.380 nan 0.000 0.493 361 S N 1.405 116.735 115.700 -0.616 0.000 2.407 361 S HA -0.207 4.263 4.470 -0.000 0.000 0.235 361 S C 1.875 176.210 174.600 -0.443 0.000 1.036 361 S CA 1.204 58.817 58.200 -0.980 0.000 1.013 361 S CB -0.112 62.190 63.200 -1.497 0.000 0.820 361 S HN 0.418 nan 8.310 nan 0.000 0.476 362 S N 1.899 117.420 115.700 -0.299 0.000 2.353 362 S HA 0.082 4.552 4.470 -0.000 0.000 0.222 362 S C 1.816 176.330 174.600 -0.142 0.000 1.035 362 S CA 1.446 59.537 58.200 -0.181 0.000 1.025 362 S CB -0.563 62.553 63.200 -0.141 0.000 0.902 362 S HN 0.460 nan 8.310 nan 0.000 0.440 363 L N 0.891 122.025 121.223 -0.147 0.000 2.109 363 L HA -0.110 4.230 4.340 -0.000 0.000 0.207 363 L C 2.241 179.040 176.870 -0.119 0.000 1.086 363 L CA 1.260 56.020 54.840 -0.135 0.000 0.760 363 L CB -0.473 41.493 42.059 -0.156 0.000 0.910 363 L HN 0.295 nan 8.230 nan 0.000 0.437 364 D N 0.073 120.413 120.400 -0.100 0.000 2.218 364 D HA -0.206 4.434 4.640 -0.000 0.000 0.204 364 D C 2.135 178.461 176.300 0.043 0.000 0.976 364 D CA 0.799 54.798 54.000 -0.003 0.000 0.853 364 D CB 0.217 41.093 40.800 0.127 0.000 0.939 364 D HN 0.090 nan 8.370 nan 0.000 0.481 365 I N 0.249 120.812 120.570 -0.012 0.000 2.151 365 I HA -0.217 3.953 4.170 -0.000 0.000 0.243 365 I C 2.275 178.416 176.117 0.041 0.000 1.080 365 I CA 0.887 62.199 61.300 0.020 0.000 1.339 365 I CB -1.120 36.869 38.000 -0.019 0.000 1.039 365 I HN 0.076 nan 8.210 nan 0.000 0.409 366 V N 0.394 120.306 119.914 -0.004 0.000 2.649 366 V HA -0.105 4.015 4.120 -0.000 0.000 0.248 366 V C 2.325 178.409 176.094 -0.017 0.000 1.054 366 V CA 0.936 63.231 62.300 -0.009 0.000 1.073 366 V CB -0.337 31.465 31.823 -0.036 0.000 0.699 366 V HN 0.303 nan 8.190 nan 0.000 0.463 367 L N -1.156 120.042 121.223 -0.042 0.000 2.375 367 L HA 0.167 4.507 4.340 -0.000 0.000 0.215 367 L C 1.283 178.165 176.870 0.021 0.000 1.108 367 L CA 0.026 54.830 54.840 -0.059 0.000 0.830 367 L CB -0.449 41.489 42.059 -0.202 0.000 0.959 367 L HN 0.357 nan 8.230 nan 0.000 0.457 368 H N 1.227 120.292 119.070 -0.007 0.000 2.972 368 H HA -0.099 4.457 4.556 -0.000 0.000 0.343 368 H C 0.493 175.833 175.328 0.019 0.000 1.054 368 H CA 0.502 56.561 56.048 0.018 0.000 1.412 368 H CB 0.171 29.955 29.762 0.037 0.000 1.385 368 H HN 0.112 nan 8.280 nan 0.000 0.600 369 D N 2.024 121.935 120.400 -0.815 0.000 2.811 369 D HA -0.209 4.431 4.640 -0.000 0.000 0.231 369 D C -0.335 175.809 176.300 -0.259 0.000 1.157 369 D CA 1.449 55.141 54.000 -0.513 0.000 0.716 369 D CB -0.816 39.711 40.800 -0.455 0.000 1.077 369 D HN 0.753 nan 8.370 nan 0.000 0.428 370 T N -4.258 110.188 114.554 -0.180 0.000 2.910 370 T HA 0.423 4.773 4.350 -0.000 0.000 0.287 370 T C 1.012 175.642 174.700 -0.116 0.000 1.050 370 T CA -0.734 61.297 62.100 -0.115 0.000 1.011 370 T CB 0.940 69.789 68.868 -0.031 0.000 1.195 370 T HN -0.063 nan 8.240 nan 0.000 0.540 371 Y N -0.552 119.689 120.300 -0.098 0.000 2.639 371 Y HA 0.047 4.597 4.550 -0.000 0.000 0.297 371 Y C 1.941 177.773 175.900 -0.114 0.000 1.151 371 Y CA 0.735 58.769 58.100 -0.111 0.000 1.335 371 Y CB -0.444 37.923 38.460 -0.156 0.000 0.994 371 Y HN 0.817 nan 8.280 nan 0.000 0.548 372 Y N -1.035 119.220 120.300 -0.076 0.000 2.293 372 Y HA -0.214 4.336 4.550 -0.000 0.000 0.291 372 Y C 2.121 177.964 175.900 -0.094 0.000 1.137 372 Y CA 1.280 59.320 58.100 -0.101 0.000 1.202 372 Y CB -0.211 38.221 38.460 -0.048 0.000 0.990 372 Y HN -0.092 nan 8.280 nan 0.000 0.537 373 V N -1.356 118.627 119.914 0.114 0.000 2.379 373 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 373 V C 2.222 178.290 176.094 -0.043 0.000 1.044 373 V CA 1.611 64.004 62.300 0.155 0.000 1.036 373 V CB -0.694 31.236 31.823 0.179 0.000 0.664 373 V HN 0.266 nan 8.190 nan 0.000 0.453 374 V N 0.558 120.291 119.914 -0.302 0.000 2.407 374 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 374 V C 2.676 178.360 176.094 -0.683 0.000 1.055 374 V CA 1.968 63.807 62.300 -0.768 0.000 1.049 374 V CB -1.186 30.297 31.823 -0.567 0.000 0.662 374 V HN 0.548 nan 8.190 nan 0.000 0.455 375 A N -0.156 122.385 122.820 -0.464 0.000 1.873 375 A HA -0.257 4.063 4.320 -0.000 0.000 0.215 375 A C 2.142 179.459 177.584 -0.445 0.000 1.186 375 A CA 2.065 53.784 52.037 -0.530 0.000 0.616 375 A CB -0.822 17.543 19.000 -1.060 0.000 0.823 375 A HN 0.722 nan 8.150 nan 0.000 0.442 376 H N 0.417 119.220 119.070 -0.445 0.000 2.265 376 H HA -0.231 4.325 4.556 -0.000 0.000 0.295 376 H C 1.653 176.900 175.328 -0.134 0.000 1.084 376 H CA 2.527 58.430 56.048 -0.241 0.000 1.261 376 H CB -0.804 28.888 29.762 -0.115 0.000 1.360 376 H HN 0.599 nan 8.280 nan 0.000 0.487 377 F N -1.596 117.947 119.950 -0.679 0.000 2.558 377 F HA 0.095 4.622 4.527 -0.000 0.000 0.298 377 F C 1.898 177.319 175.800 -0.631 0.000 1.119 377 F CA 0.779 58.357 58.000 -0.704 0.000 1.451 377 F CB -0.782 37.925 39.000 -0.487 0.000 1.091 377 F HN 0.170 nan 8.300 nan 0.000 0.563 378 H N -1.615 116.995 119.070 -0.767 0.000 2.495 378 H HA -0.001 4.555 4.556 -0.000 0.000 0.287 378 H C 1.291 176.171 175.328 -0.748 0.000 1.033 378 H CA 1.842 57.330 56.048 -0.934 0.000 1.307 378 H CB -0.189 28.465 29.762 -1.847 0.000 1.401 378 H HN 0.310 nan 8.280 nan 0.000 0.555 379 Y N -0.387 119.628 120.300 -0.475 0.000 2.177 379 Y HA -0.177 4.373 4.550 -0.000 0.000 0.291 379 Y C 2.558 178.261 175.900 -0.328 0.000 1.117 379 Y CA 1.266 59.148 58.100 -0.363 0.000 1.114 379 Y CB -0.356 37.916 38.460 -0.312 0.000 1.017 379 Y HN 0.073 nan 8.280 nan 0.000 0.505 380 V N -1.636 118.154 119.914 -0.206 0.000 2.307 380 V HA -0.187 3.933 4.120 -0.000 0.000 0.245 380 V C 1.979 178.040 176.094 -0.055 0.000 1.045 380 V CA 1.693 63.912 62.300 -0.135 0.000 1.024 380 V CB -1.124 30.588 31.823 -0.185 0.000 0.651 380 V HN 0.339 nan 8.190 nan 0.000 0.449 381 L N 0.756 121.881 121.223 -0.163 0.000 2.116 381 L HA 0.144 4.484 4.340 -0.000 0.000 0.200 381 L C 2.565 179.354 176.870 -0.136 0.000 1.084 381 L CA 2.205 56.953 54.840 -0.152 0.000 0.766 381 L CB -0.769 41.156 42.059 -0.223 0.000 0.930 381 L HN 0.289 nan 8.230 nan 0.000 0.453 382 S N -0.006 115.564 115.700 -0.218 0.000 2.363 382 S HA -0.240 4.230 4.470 -0.000 0.000 0.218 382 S C 1.939 176.520 174.600 -0.032 0.000 1.035 382 S CA 2.284 60.400 58.200 -0.140 0.000 1.043 382 S CB -0.502 62.581 63.200 -0.195 0.000 0.986 382 S HN 0.423 nan 8.310 nan 0.000 0.423 383 M N 0.997 120.515 119.600 -0.136 0.000 2.086 383 M HA -0.048 4.432 4.480 -0.000 0.000 0.261 383 M C 2.540 178.850 176.300 0.018 0.000 1.067 383 M CA 1.522 56.749 55.300 -0.122 0.000 1.116 383 M CB -1.067 31.233 32.600 -0.499 0.000 1.348 383 M HN 0.500 nan 8.290 nan 0.000 0.407 384 G N 0.174 108.962 108.800 -0.021 0.000 2.514 384 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.217 384 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.217 384 G C 1.615 176.782 174.900 0.445 0.000 1.198 384 G CA 1.264 46.441 45.100 0.128 0.000 0.780 384 G HN 0.542 nan 8.290 nan 0.000 0.565 385 A N -0.164 122.799 122.820 0.238 0.000 1.858 385 A HA 0.058 4.378 4.320 -0.000 0.000 0.216 385 A C 2.644 180.356 177.584 0.213 0.000 1.190 385 A CA 2.067 54.213 52.037 0.182 0.000 0.617 385 A CB -0.823 18.204 19.000 0.046 0.000 0.827 385 A HN 0.309 nan 8.150 nan 0.000 0.443 386 V N -1.214 118.839 119.914 0.231 0.000 2.343 386 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 386 V C 2.337 178.595 176.094 0.273 0.000 1.051 386 V CA 2.104 64.542 62.300 0.231 0.000 1.036 386 V CB -0.933 31.050 31.823 0.267 0.000 0.654 386 V HN 0.606 nan 8.190 nan 0.000 0.451 387 F N 0.200 120.290 119.950 0.233 0.000 2.186 387 F HA -0.128 4.399 4.527 -0.000 0.000 0.299 387 F C 2.440 178.375 175.800 0.226 0.000 1.090 387 F CA 1.004 59.231 58.000 0.380 0.000 1.307 387 F CB -0.365 39.042 39.000 0.679 0.000 1.019 387 F HN 0.126 nan 8.300 nan 0.000 0.489 388 A N 0.322 123.370 122.820 0.381 0.000 1.898 388 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 388 A C 2.108 179.670 177.584 -0.037 0.000 1.181 388 A CA 1.318 53.374 52.037 0.031 0.000 0.620 388 A CB -0.937 17.989 19.000 -0.123 0.000 0.819 388 A HN 0.387 nan 8.150 nan 0.000 0.442 389 I N -0.789 119.797 120.570 0.028 0.000 2.226 389 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 389 I C 2.575 178.710 176.117 0.030 0.000 1.100 389 I CA 1.081 62.424 61.300 0.071 0.000 1.374 389 I CB -0.220 37.870 38.000 0.150 0.000 1.057 389 I HN 0.250 nan 8.210 nan 0.000 0.413 390 M N 0.201 119.650 119.600 -0.251 0.000 2.132 390 M HA -0.084 4.396 4.480 -0.000 0.000 0.263 390 M C 2.418 178.421 176.300 -0.495 0.000 1.065 390 M CA 1.794 56.729 55.300 -0.609 0.000 1.122 390 M CB -1.979 29.537 32.600 -1.806 0.000 1.365 390 M HN 0.297 nan 8.290 nan 0.000 0.411 391 G N -0.312 108.275 108.800 -0.356 0.000 2.446 391 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 391 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 391 G C 1.589 176.485 174.900 -0.007 0.000 1.168 391 G CA 1.108 46.182 45.100 -0.043 0.000 0.771 391 G HN 0.554 nan 8.290 nan 0.000 0.551 392 G N 0.090 108.866 108.800 -0.040 0.000 2.408 392 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.217 392 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.217 392 G C 1.609 176.745 174.900 0.393 0.000 1.150 392 G CA 0.826 45.933 45.100 0.011 0.000 0.776 392 G HN 0.340 nan 8.290 nan 0.000 0.542 393 F N 1.809 121.980 119.950 0.369 0.000 2.075 393 F HA -0.144 4.383 4.527 -0.000 0.000 0.297 393 F C 2.775 178.721 175.800 0.243 0.000 1.113 393 F CA 1.988 60.262 58.000 0.458 0.000 1.218 393 F CB -0.397 38.780 39.000 0.296 0.000 0.984 393 F HN 0.068 nan 8.300 nan 0.000 0.472 394 V N -1.348 118.666 119.914 0.167 0.000 2.515 394 V HA -0.227 3.893 4.120 -0.000 0.000 0.250 394 V C 2.380 178.495 176.094 0.035 0.000 1.058 394 V CA 2.368 64.703 62.300 0.059 0.000 1.064 394 V CB -1.299 30.628 31.823 0.174 0.000 0.675 394 V HN 0.526 nan 8.190 nan 0.000 0.461 395 H N -0.813 118.210 119.070 -0.078 0.000 2.357 395 H HA -0.084 4.472 4.556 -0.000 0.000 0.301 395 H C 1.793 176.985 175.328 -0.227 0.000 1.082 395 H CA 2.360 58.283 56.048 -0.207 0.000 1.342 395 H CB -0.206 29.281 29.762 -0.458 0.000 1.389 395 H HN 0.575 nan 8.280 nan 0.000 0.511 396 W N -0.495 120.580 121.300 -0.375 0.000 3.278 396 W HA 0.055 4.715 4.660 -0.000 0.000 0.308 396 W C 1.486 177.274 176.519 -1.219 0.000 1.253 396 W CA -0.316 56.477 57.345 -0.920 0.000 1.759 396 W CB -0.765 28.009 29.460 -1.143 0.000 1.093 396 W HN 0.202 nan 8.180 nan 0.000 0.648 397 F N 2.847 122.359 119.950 -0.730 0.000 2.120 397 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 397 F C -0.780 174.730 175.800 -0.484 0.000 1.095 397 F CA 1.808 59.371 58.000 -0.728 0.000 1.249 397 F CB -1.431 37.100 39.000 -0.782 0.000 0.995 397 F HN -0.254 nan 8.300 nan 0.000 0.480 398 P HA -0.174 nan 4.420 nan 0.000 0.218 398 P C 1.810 178.958 177.300 -0.252 0.000 1.149 398 P CA 1.313 64.322 63.100 -0.151 0.000 0.817 398 P CB -0.106 31.663 31.700 0.116 0.000 0.785 399 L N -1.673 119.270 121.223 -0.466 0.000 2.027 399 L HA -0.081 4.259 4.340 -0.000 0.000 0.206 399 L C 1.973 178.499 176.870 -0.573 0.000 1.074 399 L CA 1.990 56.416 54.840 -0.691 0.000 0.745 399 L CB -1.282 39.919 42.059 -1.430 0.000 0.898 399 L HN -0.170 nan 8.230 nan 0.000 0.433 400 F N -0.199 119.222 119.950 -0.881 0.000 2.186 400 F HA -0.078 4.449 4.527 -0.000 0.000 0.299 400 F C 2.805 178.253 175.800 -0.587 0.000 1.090 400 F CA 1.046 58.389 58.000 -1.096 0.000 1.307 400 F CB -1.673 36.606 39.000 -1.201 0.000 1.019 400 F HN 0.395 nan 8.300 nan 0.000 0.489 401 S N -1.593 113.790 115.700 -0.529 0.000 2.499 401 S HA 0.424 4.894 4.470 -0.000 0.000 0.225 401 S C 1.858 176.101 174.600 -0.595 0.000 1.050 401 S CA 0.530 58.425 58.200 -0.509 0.000 0.928 401 S CB 0.329 62.997 63.200 -0.886 0.000 0.803 401 S HN 0.529 nan 8.310 nan 0.000 0.506 402 G N -0.040 108.447 108.800 -0.521 0.000 2.176 402 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.232 402 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.232 402 G C -0.263 174.385 174.900 -0.419 0.000 0.986 402 G CA 0.253 45.084 45.100 -0.449 0.000 0.643 402 G HN 0.515 nan 8.290 nan 0.000 0.522 403 Y N 1.089 121.282 120.300 -0.178 0.000 2.509 403 Y HA 0.699 5.249 4.550 -0.000 0.000 0.341 403 Y C 0.917 176.817 175.900 0.002 0.000 1.038 403 Y CA -0.751 57.296 58.100 -0.089 0.000 1.089 403 Y CB 1.540 39.933 38.460 -0.111 0.000 1.241 403 Y HN 0.293 nan 8.280 nan 0.000 0.468 404 T N -0.069 114.621 114.554 0.226 0.000 2.928 404 T HA 0.767 5.117 4.350 -0.000 0.000 0.284 404 T C -0.296 174.475 174.700 0.118 0.000 1.008 404 T CA -0.824 61.372 62.100 0.160 0.000 1.057 404 T CB 0.910 69.833 68.868 0.092 0.000 1.018 404 T HN 0.480 nan 8.240 nan 0.000 0.493 405 L N 1.605 122.863 121.223 0.058 0.000 2.448 405 L HA 0.458 4.798 4.340 -0.000 0.000 0.258 405 L C 0.985 177.864 176.870 0.015 0.000 1.104 405 L CA -1.197 53.609 54.840 -0.056 0.000 0.800 405 L CB 0.665 42.648 42.059 -0.127 0.000 1.241 405 L HN 0.717 nan 8.230 nan 0.000 0.472 406 N N 0.541 119.269 118.700 0.047 0.000 2.420 406 N HA -0.001 4.739 4.740 -0.000 0.000 0.249 406 N C -0.059 175.540 175.510 0.148 0.000 1.033 406 N CA -0.175 52.953 53.050 0.129 0.000 0.944 406 N CB 1.286 39.940 38.487 0.277 0.000 1.113 406 N HN 0.535 nan 8.380 nan 0.000 0.502 407 D N 2.319 122.776 120.400 0.094 0.000 2.149 407 D HA -0.126 4.514 4.640 -0.000 0.000 0.198 407 D C 1.257 177.613 176.300 0.094 0.000 0.990 407 D CA 1.631 55.682 54.000 0.085 0.000 0.839 407 D CB 0.171 40.999 40.800 0.047 0.000 0.948 407 D HN 0.573 nan 8.370 nan 0.000 0.460 408 T N -0.864 113.723 114.554 0.055 0.000 2.708 408 T HA -0.160 4.190 4.350 -0.000 0.000 0.266 408 T C 1.758 176.504 174.700 0.078 0.000 1.037 408 T CA 0.957 63.054 62.100 -0.006 0.000 1.146 408 T CB -0.557 68.233 68.868 -0.131 0.000 0.865 408 T HN 0.346 nan 8.240 nan 0.000 0.435 409 W N 1.305 122.669 121.300 0.106 0.000 2.338 409 W HA -0.049 4.611 4.660 -0.000 0.000 0.304 409 W C 2.856 179.488 176.519 0.187 0.000 1.212 409 W CA 0.505 57.945 57.345 0.158 0.000 1.264 409 W CB -0.264 29.297 29.460 0.169 0.000 1.142 409 W HN 0.221 nan 8.180 nan 0.000 0.512 410 A N 0.346 123.409 122.820 0.406 0.000 1.972 410 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 410 A C 1.830 179.628 177.584 0.358 0.000 1.169 410 A CA 1.700 53.966 52.037 0.383 0.000 0.635 410 A CB -0.550 18.619 19.000 0.281 0.000 0.810 410 A HN 0.296 nan 8.150 nan 0.000 0.446 411 K N -0.569 119.965 120.400 0.224 0.000 2.103 411 K HA 0.041 4.361 4.320 -0.000 0.000 0.204 411 K C 1.720 178.434 176.600 0.191 0.000 1.052 411 K CA 1.221 57.593 56.287 0.141 0.000 0.945 411 K CB -0.283 32.249 32.500 0.052 0.000 0.722 411 K HN 0.509 nan 8.250 nan 0.000 0.443 412 I N 0.699 121.405 120.570 0.227 0.000 2.252 412 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 412 I C 2.701 178.980 176.117 0.271 0.000 1.102 412 I CA 1.240 62.677 61.300 0.229 0.000 1.385 412 I CB -0.396 37.778 38.000 0.291 0.000 1.064 412 I HN 0.330 nan 8.210 nan 0.000 0.414 413 H N 0.783 120.025 119.070 0.287 0.000 2.319 413 H HA -0.287 4.269 4.556 -0.000 0.000 0.299 413 H C 2.306 177.764 175.328 0.216 0.000 1.092 413 H CA 2.297 58.517 56.048 0.286 0.000 1.302 413 H CB -0.218 29.759 29.762 0.358 0.000 1.373 413 H HN 0.333 nan 8.280 nan 0.000 0.497 414 F N 1.576 121.378 119.950 -0.247 0.000 2.095 414 F HA -0.170 4.357 4.527 -0.000 0.000 0.298 414 F C 2.663 178.220 175.800 -0.406 0.000 1.104 414 F CA 1.835 59.388 58.000 -0.745 0.000 1.232 414 F CB -0.837 37.594 39.000 -0.948 0.000 0.987 414 F HN 0.238 nan 8.300 nan 0.000 0.475 415 A N 0.985 123.645 122.820 -0.267 0.000 1.883 415 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 415 A C 2.311 179.798 177.584 -0.162 0.000 1.186 415 A CA 2.196 54.092 52.037 -0.235 0.000 0.624 415 A CB -1.330 17.659 19.000 -0.020 0.000 0.822 415 A HN 0.537 nan 8.150 nan 0.000 0.444 416 I N -1.585 118.942 120.570 -0.072 0.000 2.179 416 I HA -0.288 3.882 4.170 -0.000 0.000 0.242 416 I C 2.654 178.753 176.117 -0.030 0.000 1.088 416 I CA 1.965 63.264 61.300 -0.003 0.000 1.357 416 I CB -0.314 37.732 38.000 0.077 0.000 1.051 416 I HN 0.387 nan 8.210 nan 0.000 0.409 417 M N 0.545 120.080 119.600 -0.107 0.000 2.108 417 M HA -0.252 4.228 4.480 -0.000 0.000 0.261 417 M C 2.091 178.400 176.300 0.015 0.000 1.066 417 M CA 1.881 57.158 55.300 -0.039 0.000 1.107 417 M CB -0.675 31.886 32.600 -0.065 0.000 1.356 417 M HN 0.196 nan 8.290 nan 0.000 0.406 418 F N -0.621 119.143 119.950 -0.311 0.000 2.134 418 F HA -0.176 4.351 4.527 -0.000 0.000 0.299 418 F C 1.848 177.611 175.800 -0.061 0.000 1.097 418 F CA 1.650 59.546 58.000 -0.173 0.000 1.264 418 F CB -0.327 38.335 39.000 -0.563 0.000 1.001 418 F HN -0.028 nan 8.300 nan 0.000 0.479 419 V N 0.046 120.001 119.914 0.068 0.000 2.307 419 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 419 V C 2.731 178.812 176.094 -0.021 0.000 1.045 419 V CA 1.859 64.182 62.300 0.038 0.000 1.024 419 V CB -1.549 30.311 31.823 0.061 0.000 0.651 419 V HN 0.515 nan 8.190 nan 0.000 0.449 420 G N 0.752 109.550 108.800 -0.004 0.000 2.459 420 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 420 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 420 G C 1.771 176.640 174.900 -0.052 0.000 1.183 420 G CA 1.725 46.821 45.100 -0.007 0.000 0.776 420 G HN 0.567 nan 8.290 nan 0.000 0.552 421 V N -0.668 119.235 119.914 -0.019 0.000 2.407 421 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 421 V C 2.201 178.237 176.094 -0.096 0.000 1.055 421 V CA 2.150 64.450 62.300 0.000 0.000 1.049 421 V CB -0.655 31.228 31.823 0.101 0.000 0.662 421 V HN 0.290 nan 8.190 nan 0.000 0.455 422 N N 0.043 118.638 118.700 -0.176 0.000 2.270 422 N HA -0.061 4.679 4.740 -0.000 0.000 0.181 422 N C 1.832 177.341 175.510 -0.002 0.000 1.016 422 N CA 1.959 54.946 53.050 -0.105 0.000 0.870 422 N CB -0.145 38.217 38.487 -0.209 0.000 0.979 422 N HN 0.598 nan 8.380 nan 0.000 0.431 423 M N 0.772 120.343 119.600 -0.048 0.000 2.200 423 M HA -0.091 4.389 4.480 -0.000 0.000 0.265 423 M C 1.628 177.867 176.300 -0.101 0.000 1.066 423 M CA 1.200 56.488 55.300 -0.020 0.000 1.127 423 M CB -0.023 32.568 32.600 -0.015 0.000 1.379 423 M HN -0.037 nan 8.290 nan 0.000 0.420 424 T N 0.226 114.622 114.554 -0.264 0.000 2.701 424 T HA -0.070 4.280 4.350 -0.000 0.000 0.263 424 T C 1.200 175.499 174.700 -0.667 0.000 1.040 424 T CA 1.621 63.378 62.100 -0.572 0.000 1.147 424 T CB -0.369 67.887 68.868 -1.020 0.000 0.865 424 T HN 0.417 nan 8.240 nan 0.000 0.426 425 F N -0.543 119.335 119.950 -0.121 0.000 2.582 425 F HA 0.320 4.847 4.527 -0.000 0.000 0.290 425 F C 1.856 177.650 175.800 -0.010 0.000 1.115 425 F CA -0.459 57.462 58.000 -0.131 0.000 1.445 425 F CB -0.343 38.511 39.000 -0.244 0.000 1.126 425 F HN 0.009 nan 8.300 nan 0.000 0.574 426 F N 2.730 122.764 119.950 0.138 0.000 2.126 426 F HA -0.083 4.444 4.527 -0.000 0.000 0.299 426 F C -0.860 174.743 175.800 -0.328 0.000 1.096 426 F CA 1.226 59.262 58.000 0.060 0.000 1.255 426 F CB -1.630 37.370 39.000 -0.000 0.000 0.997 426 F HN -0.144 nan 8.300 nan 0.000 0.479 427 P HA -0.163 nan 4.420 nan 0.000 0.225 427 P C 1.098 178.031 177.300 -0.610 0.000 1.148 427 P CA 1.469 64.179 63.100 -0.649 0.000 0.779 427 P CB -0.199 31.440 31.700 -0.101 0.000 0.780 428 Q N -1.762 117.779 119.800 -0.432 0.000 2.364 428 Q HA -0.181 4.159 4.340 -0.000 0.000 0.207 428 Q C 1.641 177.397 176.000 -0.407 0.000 0.970 428 Q CA 1.071 56.682 55.803 -0.320 0.000 0.888 428 Q CB -0.590 28.075 28.738 -0.121 0.000 0.951 428 Q HN 0.525 nan 8.270 nan 0.000 0.469 429 H N -0.791 117.883 119.070 -0.660 0.000 2.357 429 H HA -0.120 4.436 4.556 -0.000 0.000 0.301 429 H C 1.435 176.588 175.328 -0.292 0.000 1.082 429 H CA 1.530 57.202 56.048 -0.627 0.000 1.342 429 H CB 0.021 29.194 29.762 -0.983 0.000 1.389 429 H HN 0.191 nan 8.280 nan 0.000 0.511 430 F N 0.392 120.171 119.950 -0.285 0.000 2.102 430 F HA -0.136 4.391 4.527 -0.000 0.000 0.298 430 F C 2.258 178.012 175.800 -0.076 0.000 1.105 430 F CA 0.863 58.695 58.000 -0.279 0.000 1.239 430 F CB -1.103 37.436 39.000 -0.768 0.000 0.991 430 F HN 0.085 nan 8.300 nan 0.000 0.474 431 L N -0.323 120.949 121.223 0.082 0.000 2.079 431 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 431 L C 2.694 179.594 176.870 0.051 0.000 1.081 431 L CA 1.433 56.315 54.840 0.070 0.000 0.752 431 L CB -1.322 40.660 42.059 -0.129 0.000 0.896 431 L HN 0.294 nan 8.230 nan 0.000 0.433 432 G N -0.171 108.690 108.800 0.101 0.000 2.394 432 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.214 432 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.214 432 G C 1.601 176.589 174.900 0.147 0.000 1.176 432 G CA 0.250 45.441 45.100 0.152 0.000 0.786 432 G HN 0.203 nan 8.290 nan 0.000 0.533 433 L N 1.649 122.990 121.223 0.198 0.000 2.079 433 L HA -0.095 4.245 4.340 -0.000 0.000 0.210 433 L C 3.005 179.947 176.870 0.119 0.000 1.081 433 L CA 1.539 56.451 54.840 0.121 0.000 0.752 433 L CB -0.357 41.796 42.059 0.156 0.000 0.896 433 L HN 0.429 nan 8.230 nan 0.000 0.433 434 S N -0.854 114.956 115.700 0.184 0.000 2.603 434 S HA 0.174 4.644 4.470 -0.000 0.000 0.220 434 S C 1.418 176.184 174.600 0.277 0.000 0.967 434 S CA 0.349 58.693 58.200 0.240 0.000 0.920 434 S CB 0.373 63.777 63.200 0.339 0.000 0.773 434 S HN 0.574 nan 8.310 nan 0.000 0.529 435 G N 0.972 109.865 108.800 0.155 0.000 2.159 435 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.227 435 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.227 435 G C -0.081 174.785 174.900 -0.057 0.000 0.986 435 G CA 0.056 45.216 45.100 0.100 0.000 0.651 435 G HN 0.578 nan 8.290 nan 0.000 0.523 436 M N 1.788 121.183 119.600 -0.341 0.000 2.227 436 M HA 0.355 4.835 4.480 -0.000 0.000 0.349 436 M C -2.115 174.036 176.300 -0.249 0.000 1.443 436 M CA -1.373 53.565 55.300 -0.602 0.000 1.110 436 M CB 0.616 32.662 32.600 -0.922 0.000 1.773 436 M HN -0.038 nan 8.290 nan 0.000 0.463 437 P HA 0.142 nan 4.420 nan 0.000 0.272 437 P C -1.060 176.024 177.300 -0.359 0.000 1.223 437 P CA 0.042 62.832 63.100 -0.516 0.000 0.784 437 P CB 0.577 31.582 31.700 -1.158 0.000 0.923 438 R N 1.394 121.715 120.500 -0.299 0.000 2.580 438 R HA 0.417 4.757 4.340 -0.000 0.000 0.267 438 R C 0.452 176.746 176.300 -0.010 0.000 1.125 438 R CA -0.645 55.296 56.100 -0.266 0.000 1.188 438 R CB 0.052 30.199 30.300 -0.255 0.000 1.155 438 R HN 0.330 nan 8.270 nan 0.000 0.586 439 R N -0.951 119.641 120.500 0.152 0.000 3.741 439 R HA -0.237 4.103 4.340 -0.000 0.000 0.292 439 R C -1.029 175.621 176.300 0.583 0.000 1.176 439 R CA 0.865 57.169 56.100 0.340 0.000 0.794 439 R CB -1.935 28.499 30.300 0.223 0.000 1.213 439 R HN 0.526 nan 8.270 nan 0.000 0.494 440 Y N -0.805 119.666 120.300 0.285 0.000 2.342 440 Y HA 0.137 4.687 4.550 -0.000 0.000 0.334 440 Y C 1.669 177.551 175.900 -0.030 0.000 1.067 440 Y CA -0.283 57.916 58.100 0.163 0.000 1.128 440 Y CB 1.636 40.193 38.460 0.162 0.000 1.200 440 Y HN 0.156 nan 8.280 nan 0.000 0.464 441 S N 0.048 115.618 115.700 -0.216 0.000 2.528 441 S HA 0.044 4.514 4.470 -0.000 0.000 0.219 441 S C -0.132 174.249 174.600 -0.366 0.000 0.985 441 S CA 0.336 58.108 58.200 -0.713 0.000 0.914 441 S CB 0.191 63.054 63.200 -0.562 0.000 0.776 441 S HN 0.722 nan 8.310 nan 0.000 0.526 442 D N -0.605 119.687 120.400 -0.179 0.000 2.639 442 D HA 0.504 5.144 4.640 -0.000 0.000 0.271 442 D C -1.749 174.529 176.300 -0.037 0.000 1.254 442 D CA -0.723 53.119 54.000 -0.263 0.000 0.810 442 D CB 1.556 42.173 40.800 -0.305 0.000 1.351 442 D HN 0.230 nan 8.370 nan 0.000 0.427 443 Y N -2.167 118.194 120.300 0.102 0.000 2.597 443 Y HA 0.738 5.288 4.550 -0.000 0.000 0.340 443 Y C -2.718 173.321 175.900 0.232 0.000 1.097 443 Y CA -2.393 55.847 58.100 0.235 0.000 1.037 443 Y CB -0.034 38.574 38.460 0.248 0.000 1.305 443 Y HN 0.042 nan 8.280 nan 0.000 0.463 444 P HA 0.067 nan 4.420 nan 0.000 0.267 444 P C 0.085 177.538 177.300 0.255 0.000 1.200 444 P CA 0.247 63.511 63.100 0.272 0.000 0.772 444 P CB 0.846 32.685 31.700 0.233 0.000 0.855 445 D N 1.773 122.228 120.400 0.091 0.000 2.172 445 D HA -0.215 4.425 4.640 -0.000 0.000 0.196 445 D C 1.857 178.156 176.300 -0.002 0.000 0.999 445 D CA 1.965 56.003 54.000 0.063 0.000 0.856 445 D CB -0.702 40.097 40.800 -0.002 0.000 0.934 445 D HN 0.389 nan 8.370 nan 0.000 0.453 446 A N 0.042 122.763 122.820 -0.165 0.000 2.024 446 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 446 A C 1.458 178.884 177.584 -0.262 0.000 1.164 446 A CA 1.081 52.951 52.037 -0.278 0.000 0.643 446 A CB -0.900 17.849 19.000 -0.419 0.000 0.806 446 A HN 0.300 nan 8.150 nan 0.000 0.451 447 Y N 0.171 120.494 120.300 0.038 0.000 2.490 447 Y HA 0.040 4.590 4.550 -0.000 0.000 0.281 447 Y C 2.429 178.176 175.900 -0.254 0.000 1.174 447 Y CA 0.566 58.614 58.100 -0.087 0.000 1.295 447 Y CB -1.160 37.212 38.460 -0.147 0.000 1.062 447 Y HN 0.220 nan 8.280 nan 0.000 0.522 448 T N 0.248 114.817 114.554 0.026 0.000 2.684 448 T HA -0.310 4.040 4.350 -0.000 0.000 0.267 448 T C 2.077 176.710 174.700 -0.111 0.000 1.036 448 T CA 1.810 63.934 62.100 0.041 0.000 1.148 448 T CB -0.258 68.674 68.868 0.107 0.000 0.863 448 T HN 0.444 nan 8.240 nan 0.000 0.436 449 M N -0.440 119.011 119.600 -0.248 0.000 2.065 449 M HA -0.127 4.353 4.480 -0.000 0.000 0.259 449 M C 1.965 178.113 176.300 -0.254 0.000 1.069 449 M CA 1.920 56.993 55.300 -0.378 0.000 1.110 449 M CB -0.277 31.890 32.600 -0.722 0.000 1.328 449 M HN 0.413 nan 8.290 nan 0.000 0.405 450 W N 0.459 121.739 121.300 -0.033 0.000 2.363 450 W HA -0.141 4.519 4.660 -0.000 0.000 0.296 450 W C 2.194 178.623 176.519 -0.149 0.000 1.212 450 W CA 0.203 57.527 57.345 -0.034 0.000 1.260 450 W CB -0.645 28.835 29.460 0.034 0.000 1.131 450 W HN 0.335 nan 8.180 nan 0.000 0.530 451 N N -0.108 118.554 118.700 -0.063 0.000 2.188 451 N HA -0.109 4.631 4.740 -0.000 0.000 0.184 451 N C 1.523 176.977 175.510 -0.093 0.000 1.018 451 N CA 1.882 54.804 53.050 -0.214 0.000 0.858 451 N CB -0.526 37.644 38.487 -0.529 0.000 0.989 451 N HN 0.106 nan 8.380 nan 0.000 0.426 452 T N 1.957 116.480 114.554 -0.052 0.000 2.674 452 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 452 T C 2.141 176.822 174.700 -0.032 0.000 1.039 452 T CA 0.698 62.776 62.100 -0.036 0.000 1.150 452 T CB -0.116 68.727 68.868 -0.041 0.000 0.864 452 T HN 0.164 nan 8.240 nan 0.000 0.427 453 I N 1.049 121.631 120.570 0.020 0.000 2.286 453 I HA -0.173 3.997 4.170 -0.000 0.000 0.248 453 I C 2.786 178.904 176.117 0.001 0.000 1.115 453 I CA 0.983 62.316 61.300 0.055 0.000 1.392 453 I CB -0.416 37.700 38.000 0.193 0.000 1.065 453 I HN 0.248 nan 8.210 nan 0.000 0.418 454 S N 0.250 115.932 115.700 -0.030 0.000 2.368 454 S HA -0.180 4.290 4.470 -0.000 0.000 0.225 454 S C 2.194 176.698 174.600 -0.160 0.000 1.030 454 S CA 2.074 60.190 58.200 -0.139 0.000 0.999 454 S CB -0.162 62.923 63.200 -0.191 0.000 0.844 454 S HN 0.409 nan 8.310 nan 0.000 0.459 455 S N 0.901 116.532 115.700 -0.114 0.000 2.428 455 S HA 0.086 4.556 4.470 -0.000 0.000 0.230 455 S C 1.823 176.356 174.600 -0.111 0.000 1.014 455 S CA 1.147 59.288 58.200 -0.099 0.000 0.957 455 S CB -0.298 62.849 63.200 -0.087 0.000 0.784 455 S HN 0.507 nan 8.310 nan 0.000 0.499 456 M N 0.939 120.472 119.600 -0.112 0.000 2.123 456 M HA -0.010 4.470 4.480 -0.000 0.000 0.263 456 M C 2.503 178.794 176.300 -0.014 0.000 1.069 456 M CA 1.435 56.674 55.300 -0.101 0.000 1.133 456 M CB -0.759 31.798 32.600 -0.071 0.000 1.356 456 M HN 0.448 nan 8.290 nan 0.000 0.415 457 G N -0.199 108.576 108.800 -0.041 0.000 2.450 457 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 457 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 457 G C 1.599 176.478 174.900 -0.035 0.000 1.130 457 G CA 1.300 46.371 45.100 -0.047 0.000 0.760 457 G HN 0.562 nan 8.290 nan 0.000 0.557 458 S N -0.320 115.356 115.700 -0.040 0.000 2.419 458 S HA 0.011 4.481 4.470 -0.000 0.000 0.233 458 S C 2.089 176.793 174.600 0.174 0.000 1.016 458 S CA 0.787 58.995 58.200 0.013 0.000 0.974 458 S CB -0.542 62.660 63.200 0.003 0.000 0.786 458 S HN 0.360 nan 8.310 nan 0.000 0.492 459 F N 1.129 121.052 119.950 -0.045 0.000 2.293 459 F HA 0.223 4.750 4.527 -0.000 0.000 0.297 459 F C 2.141 177.940 175.800 -0.002 0.000 1.089 459 F CA 0.518 58.507 58.000 -0.017 0.000 1.377 459 F CB -0.111 38.881 39.000 -0.013 0.000 1.051 459 F HN 0.200 nan 8.300 nan 0.000 0.511 460 I N -0.937 119.730 120.570 0.161 0.000 2.226 460 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 460 I C 2.304 178.464 176.117 0.072 0.000 1.100 460 I CA 1.142 62.499 61.300 0.096 0.000 1.374 460 I CB -0.504 37.537 38.000 0.067 0.000 1.057 460 I HN -0.020 nan 8.210 nan 0.000 0.413 461 S N 0.887 116.625 115.700 0.063 0.000 2.383 461 S HA -0.151 4.319 4.470 -0.000 0.000 0.227 461 S C 1.909 176.546 174.600 0.062 0.000 1.026 461 S CA 1.083 59.329 58.200 0.076 0.000 0.981 461 S CB -0.379 62.871 63.200 0.083 0.000 0.818 461 S HN 0.342 nan 8.310 nan 0.000 0.472 462 L N 2.096 123.322 121.223 0.004 0.000 2.046 462 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 462 L C 2.107 178.959 176.870 -0.030 0.000 1.077 462 L CA 1.927 56.729 54.840 -0.062 0.000 0.747 462 L CB -1.453 40.467 42.059 -0.232 0.000 0.896 462 L HN 0.171 nan 8.230 nan 0.000 0.432 463 T N 0.024 114.575 114.554 -0.005 0.000 2.788 463 T HA -0.125 4.225 4.350 -0.000 0.000 0.268 463 T C 1.917 176.670 174.700 0.090 0.000 1.044 463 T CA 1.281 63.398 62.100 0.028 0.000 1.139 463 T CB -0.534 68.364 68.868 0.050 0.000 0.867 463 T HN 0.559 nan 8.240 nan 0.000 0.454 464 A N 0.950 123.850 122.820 0.134 0.000 1.898 464 A HA -0.007 4.313 4.320 -0.000 0.000 0.216 464 A C 2.570 180.322 177.584 0.281 0.000 1.181 464 A CA 1.138 53.331 52.037 0.260 0.000 0.620 464 A CB -0.892 18.244 19.000 0.227 0.000 0.819 464 A HN 0.358 nan 8.150 nan 0.000 0.442 465 V N 0.145 120.157 119.914 0.163 0.000 2.343 465 V HA -0.318 3.802 4.120 -0.000 0.000 0.247 465 V C 2.640 178.755 176.094 0.035 0.000 1.051 465 V CA 2.224 64.582 62.300 0.097 0.000 1.036 465 V CB -0.767 31.085 31.823 0.050 0.000 0.654 465 V HN 0.568 nan 8.190 nan 0.000 0.451 466 M N -0.888 118.726 119.600 0.023 0.000 2.159 466 M HA -0.156 4.324 4.480 -0.000 0.000 0.263 466 M C 2.239 178.557 176.300 0.030 0.000 1.063 466 M CA 1.671 56.972 55.300 0.002 0.000 1.110 466 M CB -0.498 32.087 32.600 -0.025 0.000 1.374 466 M HN 0.343 nan 8.290 nan 0.000 0.411 467 L N 0.643 121.902 121.223 0.060 0.000 2.093 467 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 467 L C 2.440 179.330 176.870 0.034 0.000 1.085 467 L CA 1.645 56.538 54.840 0.088 0.000 0.755 467 L CB -0.563 41.593 42.059 0.162 0.000 0.904 467 L HN 0.288 nan 8.230 nan 0.000 0.435 468 M N -1.701 117.840 119.600 -0.098 0.000 2.108 468 M HA -0.199 4.281 4.480 -0.000 0.000 0.261 468 M C 1.999 178.217 176.300 -0.137 0.000 1.066 468 M CA 2.036 57.156 55.300 -0.301 0.000 1.107 468 M CB -0.113 32.236 32.600 -0.419 0.000 1.356 468 M HN 0.164 nan 8.290 nan 0.000 0.406 469 V N 0.736 120.623 119.914 -0.044 0.000 2.343 469 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 469 V C 2.218 178.352 176.094 0.068 0.000 1.051 469 V CA 2.127 64.436 62.300 0.015 0.000 1.036 469 V CB -1.144 30.695 31.823 0.026 0.000 0.654 469 V HN 0.633 nan 8.190 nan 0.000 0.451 470 F N 0.907 120.829 119.950 -0.047 0.000 2.134 470 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 470 F C 2.096 177.903 175.800 0.012 0.000 1.097 470 F CA 1.657 59.648 58.000 -0.015 0.000 1.264 470 F CB -0.394 38.505 39.000 -0.170 0.000 1.001 470 F HN 0.082 nan 8.300 nan 0.000 0.479 471 I N 0.334 120.600 120.570 -0.507 0.000 2.264 471 I HA -0.317 3.853 4.170 -0.000 0.000 0.248 471 I C 2.387 178.250 176.117 -0.422 0.000 1.111 471 I CA 1.548 62.491 61.300 -0.595 0.000 1.382 471 I CB -0.530 37.307 38.000 -0.272 0.000 1.060 471 I HN 0.209 nan 8.210 nan 0.000 0.418 472 I N -0.578 119.856 120.570 -0.226 0.000 2.286 472 I HA -0.270 3.900 4.170 -0.000 0.000 0.245 472 I C 2.458 178.597 176.117 0.037 0.000 1.104 472 I CA 1.259 62.481 61.300 -0.130 0.000 1.397 472 I CB -0.415 37.646 38.000 0.102 0.000 1.072 472 I HN 0.400 nan 8.210 nan 0.000 0.417 473 W N 2.354 123.597 121.300 -0.094 0.000 2.335 473 W HA -0.246 4.414 4.660 -0.000 0.000 0.311 473 W C 2.478 178.928 176.519 -0.116 0.000 1.213 473 W CA 1.776 59.106 57.345 -0.024 0.000 1.274 473 W CB -0.259 29.164 29.460 -0.061 0.000 1.148 473 W HN 0.045 nan 8.180 nan 0.000 0.498 474 E N 0.690 120.532 120.200 -0.597 0.000 2.118 474 E HA -0.230 4.120 4.350 -0.000 0.000 0.195 474 E C 2.119 178.370 176.600 -0.582 0.000 0.992 474 E CA 1.772 57.662 56.400 -0.851 0.000 0.804 474 E CB -0.576 28.663 29.700 -0.768 0.000 0.741 474 E HN 0.343 nan 8.360 nan 0.000 0.458 475 A N 0.118 122.684 122.820 -0.423 0.000 1.877 475 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 475 A C 2.152 179.529 177.584 -0.346 0.000 1.186 475 A CA 1.253 53.099 52.037 -0.319 0.000 0.620 475 A CB -1.034 17.772 19.000 -0.324 0.000 0.822 475 A HN 0.322 nan 8.150 nan 0.000 0.443 476 F N -0.160 119.651 119.950 -0.232 0.000 2.293 476 F HA -0.037 4.490 4.527 -0.000 0.000 0.300 476 F C 2.687 178.211 175.800 -0.459 0.000 1.086 476 F CA 0.592 58.423 58.000 -0.282 0.000 1.375 476 F CB 0.032 39.005 39.000 -0.045 0.000 1.045 476 F HN 0.294 nan 8.300 nan 0.000 0.516 477 A N -0.945 121.606 122.820 -0.449 0.000 1.898 477 A HA -0.105 4.215 4.320 -0.000 0.000 0.214 477 A C 2.275 179.626 177.584 -0.388 0.000 1.183 477 A CA 1.762 53.466 52.037 -0.555 0.000 0.622 477 A CB -0.781 17.494 19.000 -1.208 0.000 0.824 477 A HN 0.244 nan 8.150 nan 0.000 0.444 478 S N -0.773 114.695 115.700 -0.388 0.000 2.414 478 S HA 0.033 4.503 4.470 -0.000 0.000 0.227 478 S C 0.409 174.864 174.600 -0.242 0.000 1.022 478 S CA 0.631 58.678 58.200 -0.254 0.000 0.958 478 S CB -0.157 62.925 63.200 -0.198 0.000 0.797 478 S HN 0.567 nan 8.310 nan 0.000 0.493 479 K N 1.088 121.241 120.400 -0.412 0.000 3.393 479 K HA -0.162 4.158 4.320 -0.000 0.000 0.272 479 K C -0.901 175.622 176.600 -0.127 0.000 1.004 479 K CA 0.292 56.273 56.287 -0.510 0.000 0.764 479 K CB -1.180 31.125 32.500 -0.324 0.000 1.373 479 K HN 0.363 nan 8.250 nan 0.000 0.458 480 R N 1.825 122.296 120.500 -0.048 0.000 2.248 480 R HA 0.103 4.443 4.340 -0.000 0.000 0.337 480 R C -0.043 176.378 176.300 0.202 0.000 1.106 480 R CA -0.192 55.948 56.100 0.066 0.000 0.959 480 R CB 0.458 30.782 30.300 0.039 0.000 1.075 480 R HN 0.249 nan 8.270 nan 0.000 0.480 481 E N 1.842 122.169 120.200 0.212 0.000 2.338 481 E HA 0.065 4.415 4.350 -0.000 0.000 0.272 481 E C -0.063 176.598 176.600 0.102 0.000 1.029 481 E CA -0.377 56.141 56.400 0.196 0.000 0.872 481 E CB 1.303 31.095 29.700 0.153 0.000 1.015 481 E HN 0.192 nan 8.360 nan 0.000 0.417 482 V N 4.759 124.714 119.914 0.067 0.000 2.655 482 V HA -0.073 4.047 4.120 -0.000 0.000 0.300 482 V C 1.143 177.263 176.094 0.042 0.000 1.044 482 V CA 0.629 62.959 62.300 0.050 0.000 1.095 482 V CB 0.535 32.389 31.823 0.051 0.000 0.952 482 V HN 0.720 nan 8.190 nan 0.000 0.485 483 L N 2.295 123.538 121.223 0.034 0.000 2.541 483 L HA 0.265 4.605 4.340 -0.000 0.000 0.187 483 L C 0.853 177.737 176.870 0.024 0.000 1.098 483 L CA 0.653 55.511 54.840 0.029 0.000 0.846 483 L CB 0.587 42.661 42.059 0.025 0.000 1.151 483 L HN 0.639 nan 8.230 nan 0.000 0.492 484 T N 0.009 114.568 114.554 0.008 0.000 2.893 484 T HA 0.598 4.948 4.350 -0.000 0.000 0.291 484 T C -1.047 173.625 174.700 -0.047 0.000 1.028 484 T CA -0.260 61.836 62.100 -0.006 0.000 0.995 484 T CB 2.810 71.674 68.868 -0.007 0.000 1.051 484 T HN -0.255 nan 8.240 nan 0.000 0.470 485 V N 2.875 122.747 119.914 -0.069 0.000 2.638 485 V HA 0.412 4.532 4.120 -0.000 0.000 0.306 485 V C -0.399 175.622 176.094 -0.122 0.000 1.052 485 V CA -0.893 61.300 62.300 -0.180 0.000 0.885 485 V CB 2.161 33.770 31.823 -0.356 0.000 0.999 485 V HN 0.836 nan 8.190 nan 0.000 0.424 486 D N 2.591 122.919 120.400 -0.120 0.000 2.354 486 D HA 0.470 5.110 4.640 -0.000 0.000 0.247 486 D C 0.885 177.105 176.300 -0.133 0.000 1.138 486 D CA 0.077 54.004 54.000 -0.121 0.000 0.958 486 D CB 0.982 41.684 40.800 -0.163 0.000 1.144 486 D HN 0.536 nan 8.370 nan 0.000 0.458 487 L N 0.679 121.818 121.223 -0.140 0.000 4.040 487 L HA -0.317 4.023 4.340 -0.000 0.000 0.410 487 L C 1.644 178.542 176.870 0.046 0.000 1.187 487 L CA 0.757 55.531 54.840 -0.111 0.000 0.956 487 L CB -2.411 39.443 42.059 -0.342 0.000 2.022 487 L HN 0.604 nan 8.230 nan 0.000 0.897 488 T N -5.136 109.461 114.554 0.070 0.000 2.977 488 T HA -0.170 4.180 4.350 -0.000 0.000 0.271 488 T C 1.721 176.518 174.700 0.163 0.000 1.105 488 T CA 1.457 63.655 62.100 0.163 0.000 1.116 488 T CB -0.426 68.537 68.868 0.158 0.000 0.878 488 T HN 0.607 nan 8.240 nan 0.000 0.509 489 T N 0.559 115.174 114.554 0.103 0.000 2.929 489 T HA -0.083 4.267 4.350 -0.000 0.000 0.271 489 T C 1.736 176.503 174.700 0.113 0.000 1.085 489 T CA 1.429 63.587 62.100 0.096 0.000 1.125 489 T CB -0.896 68.006 68.868 0.056 0.000 0.874 489 T HN 0.652 nan 8.240 nan 0.000 0.494 490 T N -1.213 113.415 114.554 0.124 0.000 3.252 490 T HA 0.346 4.696 4.350 -0.000 0.000 0.286 490 T C 0.116 174.950 174.700 0.224 0.000 1.013 490 T CA -0.828 61.354 62.100 0.137 0.000 0.914 490 T CB -0.136 68.781 68.868 0.082 0.000 1.131 490 T HN 0.296 nan 8.240 nan 0.000 0.529 491 N N 1.320 120.200 118.700 0.300 0.000 2.716 491 N HA 0.173 4.913 4.740 -0.000 0.000 0.245 491 N C 0.356 176.146 175.510 0.467 0.000 1.495 491 N CA -0.253 53.072 53.050 0.458 0.000 0.759 491 N CB 1.683 40.531 38.487 0.602 0.000 1.261 491 N HN 0.049 nan 8.380 nan 0.000 0.515 492 L N 2.100 123.542 121.223 0.365 0.000 2.137 492 L HA -0.195 4.145 4.340 -0.000 0.000 0.213 492 L C 2.513 179.603 176.870 0.367 0.000 1.085 492 L CA 2.010 57.056 54.840 0.342 0.000 0.760 492 L CB -0.123 42.107 42.059 0.285 0.000 0.893 492 L HN 0.437 nan 8.230 nan 0.000 0.434 493 E N -1.497 118.904 120.200 0.336 0.000 2.267 493 E HA -0.289 4.061 4.350 -0.000 0.000 0.197 493 E C 1.789 178.447 176.600 0.097 0.000 0.998 493 E CA 1.752 58.275 56.400 0.204 0.000 0.830 493 E CB -0.975 28.771 29.700 0.077 0.000 0.751 493 E HN 0.707 nan 8.360 nan 0.000 0.491 494 W N 0.193 121.624 121.300 0.219 0.000 3.003 494 W HA 0.188 4.848 4.660 -0.000 0.000 0.257 494 W C 1.773 178.360 176.519 0.113 0.000 1.308 494 W CA -0.518 56.910 57.345 0.140 0.000 1.529 494 W CB -0.025 29.500 29.460 0.108 0.000 1.115 494 W HN 0.060 nan 8.180 nan 0.000 0.659 495 L N 1.080 122.503 121.223 0.333 0.000 2.450 495 L HA -0.081 4.259 4.340 -0.000 0.000 0.224 495 L C 1.181 178.122 176.870 0.118 0.000 1.149 495 L CA 1.569 56.541 54.840 0.220 0.000 0.816 495 L CB -0.671 41.521 42.059 0.221 0.000 0.932 495 L HN 0.022 nan 8.230 nan 0.000 0.449 496 N N -0.030 118.720 118.700 0.083 0.000 2.251 496 N HA 0.232 4.972 4.740 -0.000 0.000 0.217 496 N C 0.683 176.217 175.510 0.041 0.000 1.124 496 N CA 0.767 53.816 53.050 -0.002 0.000 0.843 496 N CB 0.545 38.967 38.487 -0.109 0.000 1.024 496 N HN 0.333 nan 8.380 nan 0.000 0.501 497 G N 0.389 109.246 108.800 0.095 0.000 2.757 497 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.638 497 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.638 497 G C -0.835 174.120 174.900 0.092 0.000 1.344 497 G CA -0.750 44.406 45.100 0.093 0.000 0.855 497 G HN 0.280 nan 8.290 nan 0.000 0.537 498 C N 2.409 121.748 119.300 0.066 0.000 2.344 498 C HA 0.715 5.175 4.460 -0.000 0.000 0.326 498 C C -1.447 173.510 174.990 -0.054 0.000 1.201 498 C CA -0.810 58.214 59.018 0.010 0.000 1.410 498 C CB 1.165 28.932 27.740 0.045 0.000 2.070 498 C HN 0.835 nan 8.230 nan 0.000 0.445 499 P HA 0.420 nan 4.420 nan 0.000 0.278 499 P C -2.667 174.674 177.300 0.067 0.000 1.258 499 P CA -1.324 61.785 63.100 0.015 0.000 0.811 499 P CB 0.467 32.206 31.700 0.064 0.000 1.063 500 P HA 0.213 nan 4.420 nan 0.000 0.274 500 P C -2.274 175.058 177.300 0.054 0.000 1.237 500 P CA -1.505 61.644 63.100 0.081 0.000 0.793 500 P CB -0.927 30.841 31.700 0.114 0.000 0.977 501 P HA -0.061 nan 4.420 nan 0.000 0.270 501 P C 0.797 178.106 177.300 0.015 0.000 1.223 501 P CA -0.013 63.110 63.100 0.038 0.000 0.785 501 P CB 0.506 32.231 31.700 0.041 0.000 0.923 502 Y N 1.872 122.093 120.300 -0.132 0.000 2.062 502 Y HA -0.257 4.293 4.550 -0.000 0.000 0.276 502 Y C 0.946 176.657 175.900 -0.315 0.000 1.189 502 Y CA 1.836 59.767 58.100 -0.282 0.000 1.130 502 Y CB -0.581 37.674 38.460 -0.341 0.000 0.959 502 Y HN 0.433 nan 8.280 nan 0.000 0.499 503 H N -0.183 118.950 119.070 0.105 0.000 2.519 503 H HA 0.364 4.920 4.556 -0.000 0.000 0.316 503 H C -0.294 175.040 175.328 0.009 0.000 1.065 503 H CA -0.226 55.846 56.048 0.041 0.000 1.264 503 H CB 1.015 30.835 29.762 0.097 0.000 1.413 503 H HN 0.037 nan 8.280 nan 0.000 0.465 504 T N -0.041 114.595 114.554 0.137 0.000 2.932 504 T HA 0.326 4.676 4.350 -0.000 0.000 0.289 504 T C -0.203 174.571 174.700 0.123 0.000 1.039 504 T CA -0.975 61.124 62.100 -0.000 0.000 1.024 504 T CB 0.983 69.810 68.868 -0.070 0.000 1.090 504 T HN 0.584 nan 8.240 nan 0.000 0.496 505 F N -0.417 119.571 119.950 0.063 0.000 3.091 505 F HA -0.201 4.326 4.527 -0.000 0.000 0.288 505 F C 1.281 177.095 175.800 0.024 0.000 0.907 505 F CA 0.320 58.344 58.000 0.040 0.000 1.028 505 F CB -2.423 36.592 39.000 0.025 0.000 1.022 505 F HN 0.800 nan 8.300 nan 0.000 0.665 506 E N 0.317 120.584 120.200 0.112 0.000 2.153 506 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 506 E C 1.108 177.745 176.600 0.061 0.000 0.988 506 E CA 1.338 57.771 56.400 0.056 0.000 0.811 506 E CB 0.088 29.793 29.700 0.008 0.000 0.746 506 E HN 0.633 nan 8.360 nan 0.000 0.466 507 E N 1.761 122.010 120.200 0.081 0.000 2.114 507 E HA 0.154 4.504 4.350 -0.000 0.000 0.266 507 E C -2.388 174.304 176.600 0.154 0.000 0.896 507 E CA -2.654 53.799 56.400 0.087 0.000 0.750 507 E CB 0.955 30.694 29.700 0.066 0.000 1.121 507 E HN -0.153 nan 8.360 nan 0.000 0.413 508 P HA -0.036 nan 4.420 nan 0.000 0.270 508 P C -0.054 177.364 177.300 0.196 0.000 1.227 508 P CA -0.239 62.962 63.100 0.169 0.000 0.788 508 P CB 0.529 32.270 31.700 0.069 0.000 0.926 509 T N -1.012 113.664 114.554 0.204 0.000 2.802 509 T HA 0.105 4.455 4.350 -0.000 0.000 0.305 509 T C -0.399 174.400 174.700 0.166 0.000 1.053 509 T CA -0.226 61.998 62.100 0.208 0.000 1.058 509 T CB 0.056 69.025 68.868 0.169 0.000 0.988 509 T HN 0.398 nan 8.240 nan 0.000 0.539 510 Y N 1.410 121.749 120.300 0.066 0.000 2.331 510 Y HA 0.556 5.106 4.550 -0.000 0.000 0.338 510 Y C -1.282 174.640 175.900 0.036 0.000 0.976 510 Y CA -1.148 56.977 58.100 0.043 0.000 1.137 510 Y CB 0.869 39.354 38.460 0.042 0.000 1.172 510 Y HN 0.582 nan 8.280 nan 0.000 0.478 511 V N 6.663 126.343 119.914 -0.389 0.000 2.488 511 V HA 0.250 4.370 4.120 -0.000 0.000 0.293 511 V C -0.540 175.322 176.094 -0.387 0.000 1.027 511 V CA -1.249 60.903 62.300 -0.247 0.000 0.862 511 V CB 1.473 33.233 31.823 -0.104 0.000 1.008 511 V HN 0.861 nan 8.190 nan 0.000 0.428 512 N N 2.870 121.396 118.700 -0.291 0.000 2.479 512 N HA 0.223 4.963 4.740 -0.000 0.000 0.257 512 N C 0.705 176.155 175.510 -0.099 0.000 1.232 512 N CA -0.432 52.506 53.050 -0.187 0.000 0.920 512 N CB 1.029 39.511 38.487 -0.007 0.000 1.105 512 N HN 0.571 nan 8.380 nan 0.000 0.444 513 L N 1.557 122.734 121.223 -0.077 0.000 2.354 513 L HA 0.162 4.502 4.340 -0.000 0.000 0.212 513 L C 0.337 177.198 176.870 -0.015 0.000 1.091 513 L CA 1.035 55.849 54.840 -0.043 0.000 0.828 513 L CB -0.310 41.724 42.059 -0.042 0.000 0.973 513 L HN 0.718 nan 8.230 nan 0.000 0.461 514 K N 0.000 120.397 120.400 -0.005 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.292 56.287 0.009 0.000 0.838 514 K CB 0.000 32.508 32.500 0.013 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543