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 1k1d_1_E DATA FIRST_RESID 1 DATA SEQUENCE MTKIIKNGTI VTATDTYEAH LLIKDGKIAM IGQNLEEKGA EVIDAKGCYV DATA SEQUENCE FPGGIDPHTH LDMPLGGTVT KDDFESGTIA AAFGGTTTII DFCLTNKGEP DATA SEQUENCE LKKAIETWHN KANGKAVIDY GFHLMISEIT DDVLEELPKV LEEEGITSLX DATA SEQUENCE VFMAYKNVFQ ADDGTLYCTL LAAKELGALV MVHAENGDVI DYLTKKALAD DATA SEQUENCE GNTDPIYHAL TRPPELEGEA TGRACQLTEL AGSQLYVVHV TCAQAVEKIA DATA SEQUENCE EARNKGLDVW GETCPQYLVL DQSYLEKPNF EGAKYVWSPP LREKWHQEVL DATA SEQUENCE WNALKNGQLQ TLGSDQCSFD FKGQKELGRG DFTKIPNGGP IIEDRVSILF DATA SEQUENCE SEGVKKGRIT LNQFVDIVST RIAKLFGLFP KKGTIVVGSD ADLVIFDPNI DATA SEQUENCE ERVISAETHH MAVDYNAFEG MKVTGEPVSV LCRGEFVVRD KQFVGKPGYG DATA SEQUENCE QYLKRAKYGT 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.310 55.300 0.018 0.000 0.988 1 M CB 0.000 32.611 32.600 0.018 0.000 1.302 2 T N 3.333 117.896 114.554 0.015 0.000 2.923 2 T HA 0.107 4.457 4.350 -0.000 0.000 0.309 2 T C -0.008 174.705 174.700 0.021 0.000 1.059 2 T CA 0.511 62.620 62.100 0.015 0.000 1.133 2 T CB 0.308 69.183 68.868 0.012 0.000 1.053 2 T HN 0.468 nan 8.240 nan 0.000 0.530 3 K N 1.859 122.271 120.400 0.020 0.000 2.482 3 K HA 0.696 5.016 4.320 -0.000 0.000 0.257 3 K C -0.963 175.647 176.600 0.016 0.000 0.969 3 K CA -0.868 55.436 56.287 0.029 0.000 0.842 3 K CB 2.352 34.877 32.500 0.042 0.000 1.359 3 K HN 0.413 nan 8.250 nan 0.000 0.441 4 I N 2.680 123.259 120.570 0.015 0.000 2.534 4 I HA 0.314 4.484 4.170 -0.000 0.000 0.286 4 I C -0.857 175.252 176.117 -0.014 0.000 1.094 4 I CA -0.584 60.717 61.300 0.002 0.000 1.055 4 I CB 1.640 39.635 38.000 -0.010 0.000 1.225 4 I HN 0.408 nan 8.210 nan 0.000 0.435 5 I N 7.262 127.827 120.570 -0.010 0.000 2.291 5 I HA 0.247 4.417 4.170 -0.000 0.000 0.290 5 I C 0.137 176.234 176.117 -0.034 0.000 1.050 5 I CA -0.449 60.840 61.300 -0.019 0.000 1.245 5 I CB 0.611 38.599 38.000 -0.020 0.000 1.405 5 I HN 0.565 nan 8.210 nan 0.000 0.478 6 K N 5.093 125.407 120.400 -0.144 0.000 2.185 6 K HA 0.524 4.844 4.320 -0.000 0.000 0.240 6 K C 0.237 176.774 176.600 -0.105 0.000 0.983 6 K CA -0.788 55.286 56.287 -0.355 0.000 0.873 6 K CB 0.996 32.963 32.500 -0.889 0.000 1.118 6 K HN 0.416 nan 8.250 nan 0.000 0.441 7 N N -1.165 117.593 118.700 0.097 0.000 2.741 7 N HA -0.151 4.589 4.740 -0.000 0.000 0.251 7 N C -0.239 175.303 175.510 0.053 0.000 1.112 7 N CA 1.347 54.473 53.050 0.126 0.000 0.750 7 N CB -1.432 37.069 38.487 0.024 0.000 1.119 7 N HN 0.901 nan 8.380 nan 0.000 0.561 8 G N -0.807 108.025 108.800 0.053 0.000 2.461 8 G HA2 0.574 4.534 3.960 -0.000 0.000 0.329 8 G HA3 0.574 4.534 3.960 -0.000 0.000 0.329 8 G C -0.366 174.512 174.900 -0.037 0.000 1.170 8 G CA -0.129 44.961 45.100 -0.017 0.000 0.935 8 G HN 0.030 nan 8.290 nan 0.000 0.492 9 T N 1.502 116.030 114.554 -0.044 0.000 2.753 9 T HA 0.355 4.705 4.350 -0.000 0.000 0.297 9 T C 0.487 175.163 174.700 -0.039 0.000 0.981 9 T CA -0.018 62.077 62.100 -0.009 0.000 0.956 9 T CB 0.508 69.444 68.868 0.113 0.000 0.936 9 T HN 0.276 nan 8.240 nan 0.000 0.463 10 I N 3.322 123.733 120.570 -0.264 0.000 2.496 10 I HA 0.273 4.443 4.170 -0.000 0.000 0.285 10 I C -0.193 175.824 176.117 -0.165 0.000 1.080 10 I CA -0.398 60.695 61.300 -0.345 0.000 1.404 10 I CB 0.904 38.407 38.000 -0.830 0.000 1.403 10 I HN 0.256 nan 8.210 nan 0.000 0.539 11 V N 5.280 125.202 119.914 0.012 0.000 2.445 11 V HA 0.223 4.343 4.120 -0.000 0.000 0.283 11 V C 0.311 176.535 176.094 0.217 0.000 1.014 11 V CA -0.627 61.762 62.300 0.149 0.000 0.852 11 V CB 1.264 33.209 31.823 0.202 0.000 1.021 11 V HN 0.923 nan 8.190 nan 0.000 0.435 12 T N 1.574 116.240 114.554 0.188 0.000 2.888 12 T HA 0.636 4.986 4.350 -0.000 0.000 0.283 12 T C 1.469 176.239 174.700 0.116 0.000 1.013 12 T CA 0.142 62.338 62.100 0.160 0.000 0.938 12 T CB 1.628 70.603 68.868 0.178 0.000 1.298 12 T HN 0.615 nan 8.240 nan 0.000 0.580 13 A N -0.390 122.478 122.820 0.082 0.000 2.172 13 A HA 0.163 4.483 4.320 -0.000 0.000 0.216 13 A C 2.027 179.643 177.584 0.054 0.000 1.154 13 A CA 1.506 53.568 52.037 0.041 0.000 0.701 13 A CB -1.153 17.854 19.000 0.011 0.000 0.789 13 A HN 0.861 nan 8.150 nan 0.000 0.465 14 T N -1.235 113.367 114.554 0.080 0.000 3.115 14 T HA 0.121 4.471 4.350 -0.000 0.000 0.256 14 T C 0.109 174.870 174.700 0.101 0.000 0.970 14 T CA -0.087 62.058 62.100 0.074 0.000 1.010 14 T CB 0.135 69.037 68.868 0.056 0.000 1.151 14 T HN 0.363 nan 8.240 nan 0.000 0.479 15 D N 2.049 122.538 120.400 0.148 0.000 2.332 15 D HA 0.533 5.173 4.640 -0.000 0.000 0.252 15 D C -0.696 175.770 176.300 0.276 0.000 1.050 15 D CA 0.116 54.245 54.000 0.214 0.000 0.970 15 D CB 1.677 42.625 40.800 0.247 0.000 1.141 15 D HN 0.065 nan 8.370 nan 0.000 0.485 16 T N 1.150 115.899 114.554 0.326 0.000 3.348 16 T HA 0.376 4.726 4.350 -0.000 0.000 0.328 16 T C -1.047 173.848 174.700 0.324 0.000 0.913 16 T CA -0.770 61.481 62.100 0.251 0.000 1.043 16 T CB 0.094 69.067 68.868 0.175 0.000 1.021 16 T HN 0.373 nan 8.240 nan 0.000 0.461 17 Y N -0.476 119.875 120.300 0.085 0.000 2.689 17 Y HA 0.798 5.348 4.550 -0.000 0.000 0.333 17 Y C -1.008 174.928 175.900 0.060 0.000 1.190 17 Y CA -1.702 56.435 58.100 0.062 0.000 1.063 17 Y CB 1.064 39.547 38.460 0.039 0.000 1.294 17 Y HN 0.288 nan 8.280 nan 0.000 0.466 18 E N 1.085 121.338 120.200 0.088 0.000 2.151 18 E HA 0.774 5.124 4.350 -0.000 0.000 0.275 18 E C -0.960 175.645 176.600 0.010 0.000 0.936 18 E CA -0.879 55.514 56.400 -0.011 0.000 0.777 18 E CB 1.858 31.574 29.700 0.026 0.000 1.108 18 E HN 0.925 nan 8.360 nan 0.000 0.401 19 A N 2.808 125.584 122.820 -0.075 0.000 2.483 19 A HA 0.487 4.807 4.320 -0.000 0.000 0.294 19 A C -1.719 175.840 177.584 -0.041 0.000 1.077 19 A CA -0.904 51.063 52.037 -0.116 0.000 0.633 19 A CB 1.051 20.121 19.000 0.116 0.000 1.318 19 A HN 0.588 nan 8.150 nan 0.000 0.455 20 H N -0.393 118.696 119.070 0.032 0.000 2.573 20 H HA 0.709 5.265 4.556 -0.000 0.000 0.351 20 H C -0.955 174.386 175.328 0.021 0.000 1.163 20 H CA -0.893 55.162 56.048 0.012 0.000 1.205 20 H CB 1.194 30.964 29.762 0.015 0.000 1.605 20 H HN 0.520 nan 8.280 nan 0.000 0.525 21 L N 2.742 124.048 121.223 0.138 0.000 2.313 21 L HA 0.258 4.598 4.340 -0.000 0.000 0.283 21 L C -0.430 176.474 176.870 0.057 0.000 1.013 21 L CA -1.034 53.851 54.840 0.075 0.000 0.816 21 L CB 1.680 43.758 42.059 0.033 0.000 1.236 21 L HN 0.180 nan 8.230 nan 0.000 0.419 22 L N 5.508 126.761 121.223 0.049 0.000 2.264 22 L HA 0.497 4.837 4.340 -0.000 0.000 0.287 22 L C -0.355 176.524 176.870 0.014 0.000 1.039 22 L CA 0.141 55.001 54.840 0.033 0.000 0.829 22 L CB 0.594 42.674 42.059 0.036 0.000 1.211 22 L HN 0.368 nan 8.230 nan 0.000 0.427 23 I N 5.276 125.848 120.570 0.003 0.000 2.396 23 I HA 0.310 4.479 4.170 -0.000 0.000 0.292 23 I C 0.348 176.463 176.117 -0.003 0.000 0.999 23 I CA -0.340 60.954 61.300 -0.009 0.000 1.310 23 I CB 1.338 39.321 38.000 -0.029 0.000 1.404 23 I HN 0.656 nan 8.210 nan 0.000 0.496 24 K N 2.995 123.392 120.400 -0.005 0.000 4.450 24 K HA 0.206 4.526 4.320 -0.000 0.000 0.247 24 K C 0.079 176.678 176.600 -0.001 0.000 1.242 24 K CA 0.051 56.337 56.287 -0.001 0.000 1.820 24 K CB -0.047 32.452 32.500 -0.002 0.000 2.701 24 K HN 0.414 nan 8.250 nan 0.000 0.569 25 D N 0.353 120.750 120.400 -0.005 0.000 2.841 25 D HA 0.212 4.852 4.640 -0.000 0.000 0.244 25 D C 0.007 176.304 176.300 -0.006 0.000 1.228 25 D CA 1.165 55.162 54.000 -0.005 0.000 0.872 25 D CB -0.366 40.428 40.800 -0.011 0.000 1.082 25 D HN 0.663 nan 8.370 nan 0.000 0.457 26 G N 0.512 109.311 108.800 -0.001 0.000 2.162 26 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.260 26 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.260 26 G C 0.403 175.291 174.900 -0.019 0.000 0.976 26 G CA 0.222 45.324 45.100 0.002 0.000 0.655 26 G HN 0.425 nan 8.290 nan 0.000 0.533 27 K N -0.751 119.634 120.400 -0.025 0.000 2.352 27 K HA 0.709 5.028 4.320 -0.000 0.000 0.240 27 K C 0.011 176.593 176.600 -0.029 0.000 1.017 27 K CA -1.219 55.046 56.287 -0.036 0.000 0.851 27 K CB 1.801 34.277 32.500 -0.041 0.000 1.261 27 K HN 0.077 nan 8.250 nan 0.000 0.451 28 I N 2.296 122.847 120.570 -0.032 0.000 2.363 28 I HA -0.003 4.167 4.170 -0.000 0.000 0.292 28 I C 0.998 177.108 176.117 -0.011 0.000 1.075 28 I CA 0.092 61.382 61.300 -0.018 0.000 1.333 28 I CB 1.208 39.200 38.000 -0.013 0.000 1.415 28 I HN 0.832 nan 8.210 nan 0.000 0.502 29 A N 7.966 130.784 122.820 -0.003 0.000 1.874 29 A HA 0.163 4.483 4.320 -0.000 0.000 0.214 29 A C 0.768 178.356 177.584 0.007 0.000 1.189 29 A CA 0.944 52.981 52.037 -0.000 0.000 0.615 29 A CB 0.149 19.151 19.000 0.003 0.000 0.830 29 A HN 0.786 nan 8.150 nan 0.000 0.443 30 M N -2.485 117.126 119.600 0.019 0.000 2.643 30 M HA 0.680 5.160 4.480 -0.000 0.000 0.276 30 M C -2.029 174.299 176.300 0.047 0.000 1.200 30 M CA -0.529 54.787 55.300 0.027 0.000 0.863 30 M CB 1.491 34.105 32.600 0.023 0.000 1.711 30 M HN -0.043 nan 8.290 nan 0.000 0.492 31 I N 0.840 121.444 120.570 0.056 0.000 2.569 31 I HA 0.992 5.162 4.170 -0.000 0.000 0.296 31 I C 0.160 176.318 176.117 0.068 0.000 1.028 31 I CA -0.607 60.746 61.300 0.089 0.000 1.082 31 I CB 2.188 40.275 38.000 0.144 0.000 1.264 31 I HN 1.049 nan 8.210 nan 0.000 0.429 32 G N 4.179 113.014 108.800 0.058 0.000 2.320 32 G HA2 0.317 4.276 3.960 -0.000 0.000 0.296 32 G HA3 0.317 4.276 3.960 -0.000 0.000 0.296 32 G C -2.182 172.654 174.900 -0.107 0.000 1.306 32 G CA -0.802 44.300 45.100 0.004 0.000 0.836 32 G HN 0.580 nan 8.290 nan 0.000 0.517 33 Q N -0.288 119.420 119.800 -0.153 0.000 2.257 33 Q HA 0.593 4.933 4.340 -0.000 0.000 0.262 33 Q C -0.321 175.602 176.000 -0.129 0.000 0.997 33 Q CA -0.945 54.643 55.803 -0.358 0.000 0.873 33 Q CB 1.521 30.120 28.738 -0.231 0.000 1.312 33 Q HN 0.517 nan 8.270 nan 0.000 0.450 34 N N 0.742 119.437 118.700 -0.008 0.000 2.714 34 N HA -0.164 4.576 4.740 -0.000 0.000 0.253 34 N C -0.908 174.731 175.510 0.214 0.000 1.024 34 N CA 0.658 53.852 53.050 0.239 0.000 0.726 34 N CB -1.393 37.156 38.487 0.104 0.000 0.908 34 N HN 0.613 nan 8.380 nan 0.000 0.542 35 L N 0.235 121.667 121.223 0.349 0.000 2.436 35 L HA 0.316 4.656 4.340 -0.000 0.000 0.265 35 L C 0.842 177.772 176.870 0.100 0.000 1.168 35 L CA 0.317 55.262 54.840 0.174 0.000 0.815 35 L CB 0.613 42.778 42.059 0.178 0.000 1.109 35 L HN 0.146 nan 8.230 nan 0.000 0.462 36 E N 1.531 121.767 120.200 0.059 0.000 2.372 36 E HA 0.449 4.799 4.350 -0.000 0.000 0.279 36 E C -1.426 175.189 176.600 0.024 0.000 0.946 36 E CA -0.718 55.701 56.400 0.032 0.000 0.769 36 E CB 2.972 32.689 29.700 0.028 0.000 1.230 36 E HN 0.495 nan 8.360 nan 0.000 0.442 37 E N 2.398 122.607 120.200 0.015 0.000 2.670 37 E HA 0.045 4.394 4.350 -0.000 0.000 0.349 37 E C -1.491 175.113 176.600 0.007 0.000 0.918 37 E CA -0.378 56.029 56.400 0.012 0.000 0.774 37 E CB 1.214 30.922 29.700 0.014 0.000 1.409 37 E HN 0.354 nan 8.360 nan 0.000 0.397 38 K N 2.299 122.702 120.400 0.005 0.000 2.511 38 K HA 0.095 4.415 4.320 -0.000 0.000 0.277 38 K C 0.221 176.822 176.600 0.002 0.000 1.025 38 K CA 1.731 58.019 56.287 0.002 0.000 1.112 38 K CB 0.018 32.519 32.500 0.002 0.000 0.859 38 K HN 0.750 nan 8.250 nan 0.000 0.485 39 G N 2.668 111.468 108.800 0.000 0.000 2.815 39 G HA2 -0.001 3.959 3.960 -0.000 0.000 0.234 39 G HA3 -0.001 3.959 3.960 -0.000 0.000 0.234 39 G C 0.134 175.036 174.900 0.004 0.000 0.971 39 G CA -0.101 44.999 45.100 0.001 0.000 1.124 39 G HN 0.929 nan 8.290 nan 0.000 0.435 40 A N 1.837 124.660 122.820 0.004 0.000 2.709 40 A HA 0.670 4.990 4.320 -0.000 0.000 0.212 40 A C 1.157 178.749 177.584 0.015 0.000 1.280 40 A CA 1.414 53.456 52.037 0.009 0.000 1.034 40 A CB -0.107 18.896 19.000 0.006 0.000 1.255 40 A HN 2.054 nan 8.150 nan 0.000 0.547 41 E N -1.085 119.120 120.200 0.007 0.000 3.904 41 E HA -0.245 4.105 4.350 -0.000 0.000 0.316 41 E C -0.136 176.468 176.600 0.007 0.000 0.643 41 E CA 0.818 57.222 56.400 0.008 0.000 1.129 41 E CB -1.748 27.972 29.700 0.033 0.000 1.635 41 E HN 1.130 nan 8.360 nan 0.000 0.424 42 V N 1.351 121.267 119.914 0.004 0.000 5.604 42 V HA -0.268 3.852 4.120 -0.000 0.000 0.305 42 V C 0.477 176.566 176.094 -0.008 0.000 0.712 42 V CA 1.741 64.032 62.300 -0.015 0.000 1.117 42 V CB -1.003 30.797 31.823 -0.037 0.000 1.297 42 V HN 0.241 nan 8.190 nan 0.000 0.443 43 I N 3.308 123.890 120.570 0.020 0.000 2.428 43 I HA 0.391 4.561 4.170 -0.000 0.000 0.289 43 I C 0.351 176.463 176.117 -0.009 0.000 1.019 43 I CA -0.242 61.087 61.300 0.047 0.000 1.351 43 I CB 1.310 39.408 38.000 0.162 0.000 1.412 43 I HN 0.617 nan 8.210 nan 0.000 0.513 44 D N 4.439 124.830 120.400 -0.016 0.000 2.232 44 D HA 0.558 5.198 4.640 -0.000 0.000 0.242 44 D C 0.197 176.481 176.300 -0.026 0.000 1.093 44 D CA -0.286 53.690 54.000 -0.040 0.000 0.845 44 D CB 1.470 42.245 40.800 -0.042 0.000 1.124 44 D HN 0.642 nan 8.370 nan 0.000 0.467 45 A N 3.998 126.797 122.820 -0.035 0.000 2.594 45 A HA 0.168 4.488 4.320 -0.000 0.000 0.287 45 A C 0.493 178.049 177.584 -0.048 0.000 1.227 45 A CA -0.431 51.585 52.037 -0.034 0.000 0.952 45 A CB -0.162 18.820 19.000 -0.031 0.000 1.161 45 A HN 0.496 nan 8.150 nan 0.000 0.524 46 K N -0.072 120.302 120.400 -0.043 0.000 2.586 46 K HA 0.208 4.528 4.320 -0.000 0.000 0.280 46 K C 1.150 177.707 176.600 -0.072 0.000 0.972 46 K CA 0.957 57.217 56.287 -0.045 0.000 1.040 46 K CB 0.085 32.563 32.500 -0.035 0.000 0.870 46 K HN 0.832 nan 8.250 nan 0.000 0.497 47 G N 1.200 109.946 108.800 -0.089 0.000 2.341 47 G HA2 -0.294 3.665 3.960 -0.000 0.000 0.292 47 G HA3 -0.294 3.665 3.960 -0.000 0.000 0.292 47 G C -0.243 174.545 174.900 -0.186 0.000 1.021 47 G CA 0.161 45.183 45.100 -0.129 0.000 0.905 47 G HN 0.560 nan 8.290 nan 0.000 0.508 48 C N -1.683 117.493 119.300 -0.207 0.000 3.173 48 C HA 0.708 5.168 4.460 -0.000 0.000 0.310 48 C C -0.340 174.498 174.990 -0.252 0.000 1.306 48 C CA -1.473 57.406 59.018 -0.232 0.000 1.426 48 C CB 1.454 29.117 27.740 -0.129 0.000 1.800 48 C HN 0.354 nan 8.230 nan 0.000 0.470 49 Y N 0.535 120.709 120.300 -0.210 0.000 2.403 49 Y HA 0.617 5.167 4.550 -0.000 0.000 0.323 49 Y C 0.236 175.842 175.900 -0.490 0.000 1.226 49 Y CA -0.722 57.140 58.100 -0.397 0.000 1.235 49 Y CB 0.988 39.023 38.460 -0.708 0.000 1.248 49 Y HN 0.312 nan 8.280 nan 0.000 0.489 50 V N 4.288 124.040 119.914 -0.270 0.000 2.357 50 V HA 0.324 4.444 4.120 -0.000 0.000 0.281 50 V C -0.934 175.065 176.094 -0.158 0.000 1.015 50 V CA -0.889 61.287 62.300 -0.207 0.000 0.827 50 V CB -0.078 31.683 31.823 -0.103 0.000 1.018 50 V HN 0.419 nan 8.190 nan 0.000 0.432 51 F N 4.774 124.746 119.950 0.038 0.000 2.440 51 F HA 0.666 5.193 4.527 -0.000 0.000 0.328 51 F C -2.229 173.555 175.800 -0.027 0.000 1.070 51 F CA -3.194 54.802 58.000 -0.006 0.000 1.011 51 F CB 0.886 39.866 39.000 -0.034 0.000 1.226 51 F HN 0.230 nan 8.300 nan 0.000 0.491 52 P HA 0.186 nan 4.420 nan 0.000 0.276 52 P C -0.086 177.241 177.300 0.045 0.000 1.235 52 P CA -0.249 62.894 63.100 0.072 0.000 0.772 52 P CB 0.565 32.293 31.700 0.045 0.000 0.871 53 G N 3.219 112.034 108.800 0.024 0.000 2.349 53 G HA2 0.245 4.204 3.960 -0.000 0.000 0.232 53 G HA3 0.245 4.204 3.960 -0.000 0.000 0.232 53 G C 0.629 175.511 174.900 -0.029 0.000 1.240 53 G CA -0.038 45.068 45.100 0.010 0.000 0.870 53 G HN 0.592 nan 8.290 nan 0.000 0.528 54 G N -0.259 108.515 108.800 -0.043 0.000 2.569 54 G HA2 0.478 4.438 3.960 -0.000 0.000 0.249 54 G HA3 0.478 4.438 3.960 -0.000 0.000 0.249 54 G C -0.212 174.653 174.900 -0.058 0.000 1.216 54 G CA -0.669 44.378 45.100 -0.088 0.000 0.845 54 G HN 0.691 nan 8.290 nan 0.000 0.568 55 I N 0.940 121.470 120.570 -0.067 0.000 2.447 55 I HA 0.193 4.363 4.170 -0.000 0.000 0.287 55 I C -1.068 175.021 176.117 -0.048 0.000 1.023 55 I CA -0.704 60.563 61.300 -0.054 0.000 1.083 55 I CB 2.227 40.199 38.000 -0.047 0.000 1.245 55 I HN 0.299 nan 8.210 nan 0.000 0.434 56 D N 9.109 129.482 120.400 -0.046 0.000 2.443 56 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 56 D C -1.762 174.505 176.300 -0.055 0.000 1.097 56 D CA -1.894 52.092 54.000 -0.023 0.000 0.865 56 D CB 1.917 42.712 40.800 -0.008 0.000 1.034 56 D HN 0.268 nan 8.370 nan 0.000 0.511 57 P HA -0.027 nan 4.420 nan 0.000 0.249 57 P C -0.142 177.151 177.300 -0.011 0.000 1.229 57 P CA 0.258 63.227 63.100 -0.220 0.000 0.788 57 P CB 0.101 31.551 31.700 -0.417 0.000 1.072 58 H N -0.356 118.741 119.070 0.045 0.000 2.675 58 H HA 0.400 4.955 4.556 -0.000 0.000 0.258 58 H C -0.865 174.503 175.328 0.066 0.000 1.271 58 H CA -0.198 55.969 56.048 0.198 0.000 1.462 58 H CB 0.430 30.308 29.762 0.194 0.000 1.467 58 H HN -0.213 nan 8.280 nan 0.000 0.501 59 T N 3.349 118.045 114.554 0.238 0.000 2.876 59 T HA 0.254 4.604 4.350 -0.000 0.000 0.289 59 T C -0.948 173.734 174.700 -0.029 0.000 1.014 59 T CA -0.730 61.405 62.100 0.058 0.000 0.986 59 T CB 1.144 70.016 68.868 0.007 0.000 1.021 59 T HN 0.553 nan 8.240 nan 0.000 0.458 60 H N 3.956 123.157 119.070 0.218 0.000 2.761 60 H HA 0.353 4.909 4.556 -0.000 0.000 0.263 60 H C 0.349 175.695 175.328 0.030 0.000 1.292 60 H CA -0.306 55.875 56.048 0.222 0.000 1.540 60 H CB 0.667 30.543 29.762 0.190 0.000 1.569 60 H HN 0.405 nan 8.280 nan 0.000 0.510 61 L N 0.264 121.496 121.223 0.015 0.000 2.121 61 L HA 0.052 4.392 4.340 -0.000 0.000 0.200 61 L C 1.575 178.413 176.870 -0.054 0.000 1.132 61 L CA 0.543 55.257 54.840 -0.210 0.000 0.782 61 L CB 0.062 41.628 42.059 -0.820 0.000 0.940 61 L HN 0.332 nan 8.230 nan 0.000 0.458 62 D N 1.066 121.503 120.400 0.061 0.000 2.323 62 D HA 0.065 4.705 4.640 -0.000 0.000 0.239 62 D C 0.503 176.797 176.300 -0.010 0.000 1.129 62 D CA -0.069 53.945 54.000 0.024 0.000 0.865 62 D CB 0.101 40.902 40.800 0.002 0.000 0.913 62 D HN 0.141 nan 8.370 nan 0.000 0.517 63 M N 0.152 119.821 119.600 0.116 0.000 2.245 63 M HA 0.328 4.808 4.480 -0.000 0.000 0.344 63 M C -2.695 173.700 176.300 0.158 0.000 1.170 63 M CA -0.870 54.559 55.300 0.215 0.000 1.135 63 M CB 1.035 33.859 32.600 0.372 0.000 1.574 63 M HN -0.340 nan 8.290 nan 0.000 0.452 64 P HA 0.339 nan 4.420 nan 0.000 0.300 64 P C -1.425 175.983 177.300 0.179 0.000 1.375 64 P CA -0.283 62.913 63.100 0.161 0.000 0.864 64 P CB 1.116 32.878 31.700 0.104 0.000 0.958 65 L N 3.932 125.290 121.223 0.226 0.000 2.603 65 L HA 0.708 5.048 4.340 -0.000 0.000 0.242 65 L C 0.561 177.436 176.870 0.008 0.000 1.169 65 L CA 0.522 55.445 54.840 0.138 0.000 1.029 65 L CB -0.371 41.820 42.059 0.219 0.000 1.361 65 L HN 0.711 nan 8.230 nan 0.000 0.439 66 G N 1.100 109.901 108.800 0.002 0.000 2.265 66 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.246 66 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.246 66 G C 0.448 175.337 174.900 -0.017 0.000 1.299 66 G CA -0.308 44.769 45.100 -0.039 0.000 1.117 66 G HN 0.538 nan 8.290 nan 0.000 0.485 67 G N -0.453 108.330 108.800 -0.028 0.000 2.920 67 G HA2 0.431 4.391 3.960 -0.000 0.000 0.208 67 G HA3 0.431 4.391 3.960 -0.000 0.000 0.208 67 G C 0.753 175.656 174.900 0.005 0.000 1.159 67 G CA 2.207 47.298 45.100 -0.015 0.000 0.784 67 G HN 1.175 nan 8.290 nan 0.000 0.535 68 T N -0.966 113.599 114.554 0.018 0.000 2.927 68 T HA 0.626 4.976 4.350 -0.000 0.000 0.286 68 T C -0.921 173.862 174.700 0.138 0.000 1.040 68 T CA -0.486 61.653 62.100 0.065 0.000 1.010 68 T CB 1.956 70.860 68.868 0.059 0.000 1.177 68 T HN -0.108 nan 8.240 nan 0.000 0.546 69 V N 1.330 121.356 119.914 0.187 0.000 2.962 69 V HA 0.429 4.549 4.120 -0.000 0.000 0.313 69 V C 0.197 176.423 176.094 0.220 0.000 1.099 69 V CA -1.019 61.399 62.300 0.197 0.000 0.971 69 V CB 2.143 34.019 31.823 0.089 0.000 1.028 69 V HN 1.086 nan 8.190 nan 0.000 0.430 70 T N 2.484 117.079 114.554 0.067 0.000 2.923 70 T HA -0.050 4.300 4.350 -0.000 0.000 0.304 70 T C 1.127 175.764 174.700 -0.105 0.000 1.044 70 T CA 0.443 62.396 62.100 -0.246 0.000 1.141 70 T CB 0.281 68.986 68.868 -0.271 0.000 1.023 70 T HN 0.767 nan 8.240 nan 0.000 0.533 71 K N 2.189 122.518 120.400 -0.119 0.000 2.097 71 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 71 K C 0.429 176.990 176.600 -0.065 0.000 1.049 71 K CA 1.335 57.603 56.287 -0.032 0.000 0.933 71 K CB 0.108 32.609 32.500 0.002 0.000 0.717 71 K HN 0.576 nan 8.250 nan 0.000 0.442 72 D N 1.778 122.104 120.400 -0.122 0.000 2.249 72 D HA 0.022 4.662 4.640 -0.000 0.000 0.246 72 D C -0.403 175.833 176.300 -0.107 0.000 1.114 72 D CA -0.169 53.761 54.000 -0.117 0.000 0.854 72 D CB 1.073 41.780 40.800 -0.155 0.000 1.132 72 D HN 0.383 nan 8.370 nan 0.000 0.461 73 D N 0.896 121.256 120.400 -0.066 0.000 2.529 73 D HA 0.056 4.696 4.640 -0.000 0.000 0.273 73 D C 0.977 177.254 176.300 -0.038 0.000 1.197 73 D CA -0.598 53.389 54.000 -0.022 0.000 1.070 73 D CB 0.323 41.137 40.800 0.022 0.000 1.134 73 D HN 0.125 nan 8.370 nan 0.000 0.590 74 F N -0.203 119.697 119.950 -0.082 0.000 2.408 74 F HA -0.063 4.463 4.527 -0.000 0.000 0.300 74 F C 2.469 178.220 175.800 -0.082 0.000 1.090 74 F CA 1.102 59.046 58.000 -0.092 0.000 1.427 74 F CB -0.023 38.893 39.000 -0.141 0.000 1.070 74 F HN 0.477 nan 8.300 nan 0.000 0.549 75 E N -0.190 120.060 120.200 0.084 0.000 2.030 75 E HA -0.152 4.198 4.350 -0.000 0.000 0.189 75 E C 2.422 179.011 176.600 -0.019 0.000 0.974 75 E CA 1.205 57.629 56.400 0.039 0.000 0.807 75 E CB -0.059 29.663 29.700 0.035 0.000 0.771 75 E HN 0.354 nan 8.360 nan 0.000 0.451 76 S N 0.008 115.684 115.700 -0.039 0.000 2.356 76 S HA -0.092 4.378 4.470 -0.000 0.000 0.223 76 S C 2.221 176.774 174.600 -0.079 0.000 1.032 76 S CA 1.172 59.332 58.200 -0.067 0.000 1.005 76 S CB -0.992 62.169 63.200 -0.066 0.000 0.867 76 S HN 0.362 nan 8.310 nan 0.000 0.449 77 G N 1.439 110.178 108.800 -0.102 0.000 2.440 77 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.218 77 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.218 77 G C 1.492 176.338 174.900 -0.089 0.000 1.154 77 G CA 1.530 46.554 45.100 -0.127 0.000 0.767 77 G HN 0.565 nan 8.290 nan 0.000 0.552 78 T N 1.341 115.854 114.554 -0.068 0.000 2.708 78 T HA -0.058 4.292 4.350 -0.000 0.000 0.266 78 T C 2.393 177.099 174.700 0.010 0.000 1.037 78 T CA 1.098 63.191 62.100 -0.011 0.000 1.146 78 T CB -0.163 68.728 68.868 0.039 0.000 0.865 78 T HN 0.274 nan 8.240 nan 0.000 0.435 79 I N 1.372 121.925 120.570 -0.028 0.000 2.179 79 I HA -0.181 3.989 4.170 -0.000 0.000 0.242 79 I C 2.964 179.139 176.117 0.097 0.000 1.088 79 I CA 1.069 62.339 61.300 -0.051 0.000 1.357 79 I CB -0.614 37.235 38.000 -0.251 0.000 1.051 79 I HN 0.194 nan 8.210 nan 0.000 0.409 80 A N 1.110 123.963 122.820 0.056 0.000 1.859 80 A HA -0.273 4.047 4.320 -0.000 0.000 0.217 80 A C 2.589 180.229 177.584 0.094 0.000 1.198 80 A CA 2.399 54.481 52.037 0.076 0.000 0.629 80 A CB -1.172 17.816 19.000 -0.020 0.000 0.830 80 A HN 0.439 nan 8.150 nan 0.000 0.446 81 A N -0.360 122.485 122.820 0.041 0.000 1.917 81 A HA 0.043 4.363 4.320 -0.000 0.000 0.219 81 A C 2.529 180.150 177.584 0.062 0.000 1.182 81 A CA 2.627 54.689 52.037 0.042 0.000 0.633 81 A CB -1.161 17.846 19.000 0.011 0.000 0.819 81 A HN 1.266 nan 8.150 nan 0.000 0.448 82 A N -1.294 121.557 122.820 0.051 0.000 1.883 82 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 82 A C 2.001 179.565 177.584 -0.034 0.000 1.186 82 A CA 1.643 53.684 52.037 0.006 0.000 0.624 82 A CB -0.787 18.206 19.000 -0.011 0.000 0.822 82 A HN 0.508 nan 8.150 nan 0.000 0.444 83 F N 0.131 120.047 119.950 -0.056 0.000 2.234 83 F HA 0.006 4.533 4.527 -0.000 0.000 0.299 83 F C 2.506 178.304 175.800 -0.003 0.000 1.087 83 F CA 1.066 58.998 58.000 -0.112 0.000 1.340 83 F CB -0.332 38.397 39.000 -0.452 0.000 1.031 83 F HN 0.313 nan 8.300 nan 0.000 0.500 84 G N -1.125 107.796 108.800 0.202 0.000 2.776 84 G HA2 0.239 4.199 3.960 -0.000 0.000 0.209 84 G HA3 0.239 4.199 3.960 -0.000 0.000 0.209 84 G C 1.507 176.514 174.900 0.179 0.000 1.145 84 G CA 0.543 45.755 45.100 0.187 0.000 0.791 84 G HN 0.625 nan 8.290 nan 0.000 0.530 85 G N -1.358 107.531 108.800 0.149 0.000 2.157 85 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.239 85 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.239 85 G C 0.275 175.217 174.900 0.070 0.000 0.982 85 G CA 0.305 45.489 45.100 0.140 0.000 0.650 85 G HN 0.594 nan 8.290 nan 0.000 0.527 86 T N 1.132 115.717 114.554 0.052 0.000 2.767 86 T HA 0.539 4.888 4.350 -0.000 0.000 0.288 86 T C 1.272 175.985 174.700 0.022 0.000 0.963 86 T CA 0.532 62.644 62.100 0.020 0.000 1.019 86 T CB 1.452 70.328 68.868 0.014 0.000 0.923 86 T HN 0.678 nan 8.240 nan 0.000 0.468 87 T N -0.799 113.762 114.554 0.011 0.000 3.040 87 T HA 0.295 4.645 4.350 -0.000 0.000 0.266 87 T C 0.338 175.048 174.700 0.018 0.000 1.005 87 T CA -0.295 61.819 62.100 0.023 0.000 0.906 87 T CB 0.279 69.156 68.868 0.016 0.000 1.082 87 T HN 0.497 nan 8.240 nan 0.000 0.531 88 T N 2.594 117.146 114.554 -0.003 0.000 3.172 88 T HA 0.613 4.963 4.350 -0.000 0.000 0.320 88 T C -0.918 173.761 174.700 -0.036 0.000 1.085 88 T CA -0.831 61.255 62.100 -0.023 0.000 1.052 88 T CB 1.707 70.535 68.868 -0.066 0.000 1.107 88 T HN 0.538 nan 8.240 nan 0.000 0.458 89 I N 0.021 120.580 120.570 -0.018 0.000 2.892 89 I HA 0.798 4.968 4.170 -0.000 0.000 0.306 89 I C -1.359 174.700 176.117 -0.096 0.000 1.078 89 I CA -1.485 59.789 61.300 -0.043 0.000 1.032 89 I CB 2.064 40.059 38.000 -0.010 0.000 1.229 89 I HN 0.590 nan 8.210 nan 0.000 0.435 90 I N 3.789 124.250 120.570 -0.182 0.000 2.466 90 I HA 0.311 4.481 4.170 -0.000 0.000 0.279 90 I C -0.770 175.195 176.117 -0.255 0.000 1.033 90 I CA -0.341 60.734 61.300 -0.375 0.000 1.123 90 I CB 1.178 38.728 38.000 -0.750 0.000 1.237 90 I HN 0.646 nan 8.210 nan 0.000 0.460 91 D N 5.078 125.504 120.400 0.043 0.000 2.283 91 D HA 0.253 4.893 4.640 -0.000 0.000 0.248 91 D C -0.888 175.562 176.300 0.249 0.000 1.072 91 D CA -0.246 53.930 54.000 0.292 0.000 0.929 91 D CB 1.337 42.535 40.800 0.664 0.000 1.182 91 D HN 0.139 nan 8.370 nan 0.000 0.433 92 F N 2.238 122.348 119.950 0.268 0.000 2.405 92 F HA 0.132 4.659 4.527 -0.000 0.000 0.358 92 F C 0.830 176.522 175.800 -0.180 0.000 1.151 92 F CA -0.686 57.412 58.000 0.162 0.000 1.161 92 F CB 0.490 39.634 39.000 0.240 0.000 1.245 92 F HN 0.184 nan 8.300 nan 0.000 0.545 93 C N 7.574 126.522 119.300 -0.587 0.000 2.520 93 C HA 0.403 4.862 4.460 -0.000 0.000 0.369 93 C C 0.499 174.881 174.990 -1.012 0.000 1.244 93 C CA -0.962 56.972 59.018 -1.806 0.000 1.677 93 C CB -1.798 25.110 27.740 -1.387 0.000 2.324 93 C HN 0.670 nan 8.230 nan 0.000 0.557 94 L N 6.084 126.640 121.223 -1.113 0.000 2.452 94 L HA 0.366 4.706 4.340 -0.000 0.000 0.267 94 L C 0.886 177.689 176.870 -0.111 0.000 1.188 94 L CA 0.435 55.149 54.840 -0.210 0.000 0.821 94 L CB 0.692 42.867 42.059 0.194 0.000 1.102 94 L HN 0.617 nan 8.230 nan 0.000 0.470 95 T N 1.236 115.819 114.554 0.048 0.000 2.893 95 T HA 0.386 4.736 4.350 -0.000 0.000 0.291 95 T C -0.607 174.122 174.700 0.047 0.000 1.028 95 T CA -0.784 61.342 62.100 0.044 0.000 0.995 95 T CB 1.492 70.388 68.868 0.047 0.000 1.051 95 T HN 0.457 nan 8.240 nan 0.000 0.470 96 N N 1.854 120.573 118.700 0.031 0.000 2.361 96 N HA 0.334 5.074 4.740 -0.000 0.000 0.302 96 N C -0.503 175.014 175.510 0.011 0.000 1.074 96 N CA -0.719 52.334 53.050 0.005 0.000 0.850 96 N CB 1.918 40.409 38.487 0.006 0.000 1.228 96 N HN 0.443 nan 8.380 nan 0.000 0.491 97 K N 0.099 120.499 120.400 0.000 0.000 2.319 97 K HA 0.166 4.485 4.320 -0.000 0.000 0.265 97 K C 1.112 177.718 176.600 0.010 0.000 1.000 97 K CA 0.499 56.792 56.287 0.010 0.000 0.943 97 K CB 0.323 32.826 32.500 0.006 0.000 0.950 97 K HN 0.798 nan 8.250 nan 0.000 0.485 98 G N 1.220 110.029 108.800 0.015 0.000 2.412 98 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.252 98 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.252 98 G C 0.150 175.059 174.900 0.015 0.000 1.038 98 G CA 0.653 45.761 45.100 0.013 0.000 0.628 98 G HN 0.681 nan 8.290 nan 0.000 0.531 99 E N 2.517 122.727 120.200 0.016 0.000 2.259 99 E HA 0.438 4.788 4.350 -0.000 0.000 0.281 99 E C -1.878 174.735 176.600 0.022 0.000 1.027 99 E CA -1.986 54.425 56.400 0.019 0.000 0.838 99 E CB 1.006 30.718 29.700 0.021 0.000 1.066 99 E HN 0.246 nan 8.360 nan 0.000 0.401 100 P HA -0.069 nan 4.420 nan 0.000 0.264 100 P C 0.782 178.097 177.300 0.025 0.000 1.193 100 P CA 0.315 63.428 63.100 0.022 0.000 0.763 100 P CB 0.761 32.473 31.700 0.020 0.000 0.810 101 L N 2.691 123.928 121.223 0.023 0.000 2.081 101 L HA -0.218 4.122 4.340 -0.000 0.000 0.212 101 L C 2.295 179.178 176.870 0.022 0.000 1.080 101 L CA 1.819 56.671 54.840 0.020 0.000 0.754 101 L CB -0.796 41.275 42.059 0.020 0.000 0.893 101 L HN 0.430 nan 8.230 nan 0.000 0.433 102 K N -0.204 120.212 120.400 0.027 0.000 2.362 102 K HA -0.169 4.151 4.320 -0.000 0.000 0.200 102 K C 1.948 178.572 176.600 0.040 0.000 1.046 102 K CA 0.569 56.877 56.287 0.034 0.000 0.952 102 K CB 0.004 32.522 32.500 0.030 0.000 0.753 102 K HN 0.067 nan 8.250 nan 0.000 0.466 103 K N 1.832 122.254 120.400 0.037 0.000 1.973 103 K HA -0.076 4.244 4.320 -0.000 0.000 0.210 103 K C 2.012 178.651 176.600 0.066 0.000 1.045 103 K CA 1.602 57.916 56.287 0.044 0.000 0.937 103 K CB -0.530 31.993 32.500 0.040 0.000 0.721 103 K HN 0.064 nan 8.250 nan 0.000 0.438 104 A N 0.936 123.796 122.820 0.067 0.000 1.883 104 A HA -0.161 4.158 4.320 -0.000 0.000 0.217 104 A C 2.306 179.946 177.584 0.092 0.000 1.186 104 A CA 1.991 54.090 52.037 0.104 0.000 0.624 104 A CB -0.896 18.123 19.000 0.032 0.000 0.822 104 A HN 0.394 nan 8.150 nan 0.000 0.444 105 I N -0.711 119.867 120.570 0.014 0.000 2.248 105 I HA -0.300 3.870 4.170 -0.000 0.000 0.248 105 I C 2.474 178.647 176.117 0.094 0.000 1.107 105 I CA 1.909 63.199 61.300 -0.017 0.000 1.373 105 I CB -0.449 37.578 38.000 0.044 0.000 1.055 105 I HN 0.449 nan 8.210 nan 0.000 0.418 106 E N 0.062 120.337 120.200 0.125 0.000 2.112 106 E HA -0.124 4.225 4.350 -0.000 0.000 0.190 106 E C 2.103 178.766 176.600 0.106 0.000 0.979 106 E CA 1.375 57.860 56.400 0.141 0.000 0.814 106 E CB 0.021 29.764 29.700 0.071 0.000 0.762 106 E HN 0.381 nan 8.360 nan 0.000 0.460 107 T N 0.278 114.892 114.554 0.100 0.000 2.684 107 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 107 T C 1.270 175.956 174.700 -0.024 0.000 1.036 107 T CA 0.979 63.115 62.100 0.061 0.000 1.148 107 T CB -0.262 68.691 68.868 0.141 0.000 0.863 107 T HN 0.368 nan 8.240 nan 0.000 0.436 108 W N 1.125 122.274 121.300 -0.252 0.000 2.379 108 W HA -0.117 4.543 4.660 -0.000 0.000 0.307 108 W C 2.535 178.822 176.519 -0.387 0.000 1.200 108 W CA 1.004 58.069 57.345 -0.466 0.000 1.297 108 W CB -0.504 28.368 29.460 -0.979 0.000 1.140 108 W HN 0.420 nan 8.180 nan 0.000 0.507 109 H N 0.151 119.210 119.070 -0.018 0.000 2.426 109 H HA -0.150 4.406 4.556 -0.000 0.000 0.298 109 H C 1.794 177.101 175.328 -0.036 0.000 1.107 109 H CA 1.470 57.578 56.048 0.099 0.000 1.298 109 H CB -0.384 29.399 29.762 0.035 0.000 1.377 109 H HN 0.208 nan 8.280 nan 0.000 0.519 110 N N 0.960 119.670 118.700 0.016 0.000 2.135 110 N HA -0.097 4.643 4.740 -0.000 0.000 0.186 110 N C 1.913 177.321 175.510 -0.171 0.000 1.027 110 N CA 0.634 53.650 53.050 -0.057 0.000 0.849 110 N CB -0.152 38.301 38.487 -0.057 0.000 1.002 110 N HN 0.372 nan 8.380 nan 0.000 0.425 111 K N 0.830 121.039 120.400 -0.318 0.000 2.074 111 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 111 K C 1.955 178.201 176.600 -0.590 0.000 1.048 111 K CA 1.563 57.584 56.287 -0.443 0.000 0.926 111 K CB -0.077 32.020 32.500 -0.671 0.000 0.713 111 K HN 0.156 nan 8.250 nan 0.000 0.444 112 A N 1.208 123.535 122.820 -0.822 0.000 1.911 112 A HA -0.031 4.289 4.320 -0.000 0.000 0.212 112 A C 0.692 178.094 177.584 -0.304 0.000 1.189 112 A CA 0.021 51.529 52.037 -0.882 0.000 0.639 112 A CB -0.242 18.117 19.000 -1.068 0.000 0.839 112 A HN 0.216 nan 8.150 nan 0.000 0.449 113 N N 0.776 119.420 118.700 -0.094 0.000 2.034 113 N HA -0.002 4.737 4.740 -0.000 0.000 0.293 113 N C 1.215 176.735 175.510 0.017 0.000 1.336 113 N CA 1.490 54.557 53.050 0.030 0.000 0.819 113 N CB -0.006 38.500 38.487 0.032 0.000 1.071 113 N HN 0.735 nan 8.380 nan 0.000 0.495 114 G N 2.624 111.461 108.800 0.062 0.000 2.186 114 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.266 114 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.266 114 G C 0.963 175.902 174.900 0.065 0.000 0.982 114 G CA 0.970 46.110 45.100 0.066 0.000 0.670 114 G HN 0.656 nan 8.290 nan 0.000 0.533 115 K N -0.268 120.156 120.400 0.040 0.000 2.391 115 K HA 0.530 4.850 4.320 -0.000 0.000 0.197 115 K C 1.351 178.000 176.600 0.081 0.000 1.087 115 K CA 0.432 56.754 56.287 0.058 0.000 1.012 115 K CB 0.799 33.325 32.500 0.043 0.000 0.925 115 K HN 0.507 nan 8.250 nan 0.000 0.547 116 A N 1.380 124.231 122.820 0.052 0.000 2.450 116 A HA 0.164 4.484 4.320 -0.000 0.000 0.255 116 A C 1.155 178.849 177.584 0.183 0.000 1.096 116 A CA -0.201 51.884 52.037 0.080 0.000 0.778 116 A CB 0.442 19.423 19.000 -0.031 0.000 1.031 116 A HN -0.007 nan 8.150 nan 0.000 0.494 117 V N 3.159 123.192 119.914 0.199 0.000 3.174 117 V HA 0.076 4.196 4.120 -0.000 0.000 0.254 117 V C 0.838 177.126 176.094 0.323 0.000 1.120 117 V CA 1.534 64.004 62.300 0.283 0.000 1.114 117 V CB -1.295 30.695 31.823 0.279 0.000 0.756 117 V HN 0.801 nan 8.190 nan 0.000 0.467 118 I N -3.934 116.784 120.570 0.246 0.000 3.239 118 I HA 0.646 4.816 4.170 -0.000 0.000 0.314 118 I C -1.072 175.182 176.117 0.227 0.000 1.126 118 I CA -1.113 60.318 61.300 0.218 0.000 0.973 118 I CB 1.579 39.667 38.000 0.146 0.000 1.252 118 I HN -0.186 nan 8.210 nan 0.000 0.463 119 D N 1.294 121.773 120.400 0.132 0.000 2.357 119 D HA 0.409 5.049 4.640 -0.000 0.000 0.242 119 D C -0.966 175.426 176.300 0.152 0.000 1.153 119 D CA 0.809 54.855 54.000 0.077 0.000 0.918 119 D CB 0.795 41.531 40.800 -0.107 0.000 1.181 119 D HN 0.601 nan 8.370 nan 0.000 0.435 120 Y N -2.558 117.657 120.300 -0.142 0.000 2.689 120 Y HA 0.690 5.240 4.550 -0.000 0.000 0.333 120 Y C -0.337 175.303 175.900 -0.434 0.000 1.208 120 Y CA -1.298 56.686 58.100 -0.193 0.000 1.055 120 Y CB 1.046 39.492 38.460 -0.023 0.000 1.304 120 Y HN 0.443 nan 8.280 nan 0.000 0.455 121 G N 0.116 108.633 108.800 -0.471 0.000 2.788 121 G HA2 0.721 4.681 3.960 -0.000 0.000 0.293 121 G HA3 0.721 4.681 3.960 -0.000 0.000 0.293 121 G C -2.373 172.146 174.900 -0.634 0.000 1.392 121 G CA -1.026 43.615 45.100 -0.765 0.000 0.810 121 G HN 0.445 nan 8.290 nan 0.000 0.508 122 F N -0.931 118.928 119.950 -0.152 0.000 2.620 122 F HA 0.596 5.123 4.527 -0.000 0.000 0.320 122 F C -0.144 175.384 175.800 -0.454 0.000 1.069 122 F CA -1.015 56.848 58.000 -0.229 0.000 0.953 122 F CB 2.244 41.208 39.000 -0.060 0.000 1.322 122 F HN 0.244 nan 8.300 nan 0.000 0.479 123 H N 1.368 120.366 119.070 -0.119 0.000 2.524 123 H HA 0.516 5.072 4.556 -0.000 0.000 0.353 123 H C -1.305 173.931 175.328 -0.153 0.000 1.136 123 H CA -0.794 55.082 56.048 -0.287 0.000 1.193 123 H CB 2.612 31.900 29.762 -0.789 0.000 1.558 123 H HN 0.412 nan 8.280 nan 0.000 0.515 124 L N 3.405 124.656 121.223 0.045 0.000 2.282 124 L HA 0.306 4.646 4.340 -0.000 0.000 0.288 124 L C 0.066 176.977 176.870 0.069 0.000 1.033 124 L CA -0.324 54.519 54.840 0.006 0.000 0.807 124 L CB 0.931 42.996 42.059 0.010 0.000 1.209 124 L HN 0.602 nan 8.230 nan 0.000 0.423 125 M N 5.560 125.211 119.600 0.085 0.000 2.242 125 M HA 0.386 4.866 4.480 -0.000 0.000 0.344 125 M C -1.240 175.152 176.300 0.153 0.000 1.140 125 M CA 0.238 55.657 55.300 0.198 0.000 1.160 125 M CB 0.496 33.273 32.600 0.295 0.000 1.491 125 M HN 0.609 nan 8.290 nan 0.000 0.459 126 I N 3.678 124.358 120.570 0.183 0.000 2.468 126 I HA 0.177 4.347 4.170 -0.000 0.000 0.285 126 I C 0.238 176.463 176.117 0.180 0.000 1.039 126 I CA -0.277 61.107 61.300 0.140 0.000 1.074 126 I CB 2.240 40.296 38.000 0.094 0.000 1.228 126 I HN 0.862 nan 8.210 nan 0.000 0.436 127 S N 3.223 119.014 115.700 0.152 0.000 2.540 127 S HA 0.297 4.767 4.470 -0.000 0.000 0.222 127 S C 0.049 174.712 174.600 0.105 0.000 1.008 127 S CA -0.323 57.968 58.200 0.151 0.000 0.939 127 S CB 0.097 63.372 63.200 0.124 0.000 0.865 127 S HN 0.764 nan 8.310 nan 0.000 0.499 128 E N 0.840 121.091 120.200 0.086 0.000 2.388 128 E HA 0.470 4.820 4.350 -0.000 0.000 0.282 128 E C -1.293 175.341 176.600 0.057 0.000 1.026 128 E CA -1.233 55.208 56.400 0.067 0.000 0.820 128 E CB 0.773 30.505 29.700 0.053 0.000 1.226 128 E HN 0.319 nan 8.360 nan 0.000 0.432 129 I N -0.261 120.341 120.570 0.052 0.000 2.371 129 I HA 0.489 4.659 4.170 -0.000 0.000 0.282 129 I C -0.720 175.420 176.117 0.038 0.000 1.031 129 I CA -0.347 60.979 61.300 0.043 0.000 1.180 129 I CB 1.351 39.377 38.000 0.044 0.000 1.336 129 I HN 0.362 nan 8.210 nan 0.000 0.467 130 T N 2.902 117.475 114.554 0.033 0.000 2.952 130 T HA 0.242 4.592 4.350 -0.000 0.000 0.286 130 T C 0.817 175.532 174.700 0.025 0.000 1.024 130 T CA -0.430 61.687 62.100 0.029 0.000 1.029 130 T CB 1.778 70.661 68.868 0.026 0.000 1.094 130 T HN 0.510 nan 8.240 nan 0.000 0.515 131 D N 0.991 121.405 120.400 0.023 0.000 2.144 131 D HA -0.127 4.513 4.640 -0.000 0.000 0.199 131 D C 1.343 177.655 176.300 0.019 0.000 0.984 131 D CA 1.208 55.220 54.000 0.020 0.000 0.834 131 D CB 0.097 40.908 40.800 0.018 0.000 0.955 131 D HN 0.525 nan 8.370 nan 0.000 0.465 132 D N 0.633 121.044 120.400 0.019 0.000 2.144 132 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 132 D C 2.370 178.682 176.300 0.020 0.000 0.978 132 D CA 0.489 54.500 54.000 0.018 0.000 0.833 132 D CB -0.015 40.796 40.800 0.018 0.000 0.961 132 D HN 0.122 nan 8.370 nan 0.000 0.470 133 V N 1.627 121.554 119.914 0.022 0.000 2.307 133 V HA -0.204 3.916 4.120 -0.000 0.000 0.245 133 V C 2.724 178.830 176.094 0.021 0.000 1.045 133 V CA 1.057 63.371 62.300 0.023 0.000 1.024 133 V CB -0.557 31.283 31.823 0.028 0.000 0.651 133 V HN 0.166 nan 8.190 nan 0.000 0.449 134 L N -0.293 120.941 121.223 0.019 0.000 2.187 134 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 134 L C 2.558 179.437 176.870 0.015 0.000 1.100 134 L CA 1.570 56.420 54.840 0.016 0.000 0.765 134 L CB -0.529 41.540 42.059 0.016 0.000 0.904 134 L HN 0.440 nan 8.230 nan 0.000 0.437 135 E N -0.348 119.861 120.200 0.016 0.000 2.112 135 E HA -0.170 4.180 4.350 -0.000 0.000 0.190 135 E C 2.015 178.625 176.600 0.016 0.000 0.979 135 E CA 0.755 57.164 56.400 0.015 0.000 0.814 135 E CB 0.142 29.851 29.700 0.014 0.000 0.762 135 E HN 0.527 nan 8.360 nan 0.000 0.460 136 E N 0.723 120.934 120.200 0.018 0.000 2.051 136 E HA -0.102 4.247 4.350 -0.000 0.000 0.189 136 E C 2.219 178.832 176.600 0.022 0.000 0.979 136 E CA 0.335 56.747 56.400 0.020 0.000 0.803 136 E CB 0.026 29.739 29.700 0.022 0.000 0.761 136 E HN 0.148 nan 8.360 nan 0.000 0.451 137 L N 1.453 122.688 121.223 0.020 0.000 2.011 137 L HA -0.249 4.091 4.340 -0.000 0.000 0.225 137 L C -0.426 176.456 176.870 0.020 0.000 1.084 137 L CA 1.905 56.757 54.840 0.019 0.000 0.791 137 L CB -2.032 40.035 42.059 0.013 0.000 0.898 137 L HN 0.233 nan 8.230 nan 0.000 0.440 138 P HA -0.202 nan 4.420 nan 0.000 0.216 138 P C 1.193 178.506 177.300 0.021 0.000 1.150 138 P CA 1.716 64.826 63.100 0.017 0.000 0.843 138 P CB -0.075 31.633 31.700 0.014 0.000 0.787 139 K N -0.314 120.100 120.400 0.022 0.000 2.062 139 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 139 K C 2.174 178.796 176.600 0.036 0.000 1.051 139 K CA 0.939 57.241 56.287 0.026 0.000 0.941 139 K CB -0.724 31.789 32.500 0.023 0.000 0.719 139 K HN -0.007 nan 8.250 nan 0.000 0.440 140 V N 2.167 122.104 119.914 0.038 0.000 2.568 140 V HA -0.219 3.901 4.120 -0.000 0.000 0.253 140 V C 2.098 178.228 176.094 0.060 0.000 1.072 140 V CA 1.484 63.816 62.300 0.053 0.000 1.084 140 V CB -0.487 31.364 31.823 0.046 0.000 0.676 140 V HN 0.272 nan 8.190 nan 0.000 0.469 141 L N -0.898 120.351 121.223 0.044 0.000 2.071 141 L HA -0.065 4.275 4.340 -0.000 0.000 0.201 141 L C 2.584 179.480 176.870 0.043 0.000 1.076 141 L CA 1.284 56.149 54.840 0.042 0.000 0.755 141 L CB -0.490 41.586 42.059 0.029 0.000 0.915 141 L HN 0.239 nan 8.230 nan 0.000 0.445 142 E N 0.236 120.457 120.200 0.035 0.000 2.015 142 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 142 E C 0.694 177.318 176.600 0.040 0.000 0.991 142 E CA 0.792 57.211 56.400 0.031 0.000 0.802 142 E CB -0.007 29.707 29.700 0.022 0.000 0.759 142 E HN 0.132 nan 8.360 nan 0.000 0.447 143 E N 0.951 121.177 120.200 0.043 0.000 2.167 143 E HA 0.218 4.568 4.350 -0.000 0.000 0.284 143 E C -1.253 175.398 176.600 0.084 0.000 1.016 143 E CA -0.242 56.187 56.400 0.049 0.000 0.817 143 E CB 0.414 30.133 29.700 0.031 0.000 1.080 143 E HN 0.022 nan 8.360 nan 0.000 0.397 144 E N 2.008 122.286 120.200 0.130 0.000 7.438 144 E HA -0.081 4.269 4.350 -0.000 0.000 0.230 144 E C -0.214 176.516 176.600 0.217 0.000 0.890 144 E CA 0.842 57.385 56.400 0.239 0.000 1.606 144 E CB -0.735 29.089 29.700 0.207 0.000 0.905 144 E HN 0.653 nan 8.360 nan 0.000 0.266 145 G N 4.236 113.176 108.800 0.234 0.000 3.325 145 G HA2 0.181 4.141 3.960 -0.000 0.000 0.242 145 G HA3 0.181 4.141 3.960 -0.000 0.000 0.242 145 G C 0.315 175.253 174.900 0.062 0.000 1.120 145 G CA -0.272 44.874 45.100 0.077 0.000 1.778 145 G HN 0.388 nan 8.290 nan 0.000 0.610 146 I N 2.427 123.067 120.570 0.116 0.000 2.278 146 I HA 0.125 4.295 4.170 -0.000 0.000 0.296 146 I C 1.239 177.388 176.117 0.053 0.000 1.121 146 I CA 0.016 61.368 61.300 0.088 0.000 1.267 146 I CB -0.038 38.033 38.000 0.119 0.000 1.447 146 I HN 0.180 nan 8.210 nan 0.000 0.509 147 T N 0.098 114.675 114.554 0.037 0.000 3.174 147 T HA 0.184 4.534 4.350 -0.000 0.000 0.269 147 T C 0.459 175.179 174.700 0.033 0.000 1.017 147 T CA -0.412 61.708 62.100 0.035 0.000 0.899 147 T CB -0.234 68.658 68.868 0.041 0.000 1.077 147 T HN 0.489 nan 8.240 nan 0.000 0.552 148 S N 1.549 117.289 115.700 0.067 0.000 2.774 148 S HA 0.702 5.172 4.470 -0.000 0.000 0.297 148 S C -0.322 174.316 174.600 0.063 0.000 1.143 148 S CA -0.994 57.258 58.200 0.088 0.000 1.090 148 S CB 0.814 64.193 63.200 0.298 0.000 1.019 148 S HN 0.372 nan 8.310 nan 0.000 0.482 152 F N 4.195 124.242 119.950 0.163 0.000 2.411 152 F HA 0.511 5.038 4.527 -0.000 0.000 0.350 152 F C 1.434 177.339 175.800 0.175 0.000 1.114 152 F CA -0.544 57.568 58.000 0.186 0.000 1.135 152 F CB 1.504 40.643 39.000 0.232 0.000 1.120 152 F HN 0.445 nan 8.300 nan 0.000 0.495 153 M N 1.919 121.694 119.600 0.292 0.000 2.509 153 M HA 0.257 4.737 4.480 -0.000 0.000 0.250 153 M C 0.718 177.140 176.300 0.203 0.000 1.132 153 M CA 0.267 55.691 55.300 0.207 0.000 1.080 153 M CB 0.027 32.708 32.600 0.136 0.000 1.408 153 M HN 0.644 nan 8.290 nan 0.000 0.484 154 A N -1.232 121.727 122.820 0.232 0.000 2.616 154 A HA 0.615 4.935 4.320 -0.000 0.000 0.253 154 A C -0.770 176.919 177.584 0.174 0.000 1.239 154 A CA -0.459 51.638 52.037 0.101 0.000 0.914 154 A CB 0.306 19.272 19.000 -0.057 0.000 1.454 154 A HN 0.415 nan 8.150 nan 0.000 0.460 155 Y N -1.200 119.201 120.300 0.168 0.000 3.178 155 Y HA -0.148 4.402 4.550 -0.000 0.000 0.200 155 Y C 0.563 176.544 175.900 0.135 0.000 1.427 155 Y CA 0.716 58.904 58.100 0.148 0.000 1.250 155 Y CB -1.948 36.604 38.460 0.154 0.000 1.421 155 Y HN 0.746 nan 8.280 nan 0.000 0.506 156 K N 2.077 122.622 120.400 0.241 0.000 2.561 156 K HA -0.057 4.263 4.320 -0.000 0.000 0.280 156 K C 0.957 177.627 176.600 0.115 0.000 0.975 156 K CA 0.902 57.288 56.287 0.165 0.000 1.024 156 K CB 0.126 32.712 32.500 0.143 0.000 0.883 156 K HN 0.547 nan 8.250 nan 0.000 0.496 157 N N 1.241 119.984 118.700 0.071 0.000 2.714 157 N HA -0.192 4.548 4.740 -0.000 0.000 0.250 157 N C -0.139 175.337 175.510 -0.057 0.000 1.117 157 N CA 1.009 54.066 53.050 0.011 0.000 0.719 157 N CB -1.142 37.351 38.487 0.009 0.000 1.081 157 N HN 0.387 nan 8.380 nan 0.000 0.557 158 V N -3.457 116.407 119.914 -0.083 0.000 3.110 158 V HA 0.231 4.351 4.120 -0.000 0.000 0.233 158 V C 0.683 176.344 176.094 -0.722 0.000 1.550 158 V CA 0.509 62.602 62.300 -0.345 0.000 1.186 158 V CB 0.155 31.845 31.823 -0.221 0.000 1.052 158 V HN 0.180 nan 8.190 nan 0.000 0.452 159 F N -0.880 119.021 119.950 -0.081 0.000 2.801 159 F HA 0.340 4.867 4.527 -0.000 0.000 0.381 159 F C 0.985 176.860 175.800 0.124 0.000 0.861 159 F CA -0.398 57.530 58.000 -0.120 0.000 1.039 159 F CB 0.362 38.967 39.000 -0.659 0.000 1.041 159 F HN -0.051 nan 8.300 nan 0.000 0.596 160 Q N 1.992 122.000 119.800 0.346 0.000 2.352 160 Q HA 0.341 4.681 4.340 -0.000 0.000 0.326 160 Q C -0.505 175.630 176.000 0.226 0.000 1.135 160 Q CA 0.530 56.513 55.803 0.300 0.000 1.000 160 Q CB 0.714 29.588 28.738 0.227 0.000 1.237 160 Q HN 0.315 nan 8.270 nan 0.000 0.409 161 A N 3.347 126.292 122.820 0.209 0.000 2.486 161 A HA 0.439 4.759 4.320 -0.000 0.000 0.300 161 A C -1.368 176.293 177.584 0.129 0.000 1.048 161 A CA -0.730 51.402 52.037 0.158 0.000 0.696 161 A CB 1.203 20.303 19.000 0.167 0.000 1.278 161 A HN 0.899 nan 8.150 nan 0.000 0.405 162 D N 0.761 121.223 120.400 0.104 0.000 2.371 162 D HA 0.188 4.828 4.640 -0.000 0.000 0.242 162 D C 0.126 176.482 176.300 0.093 0.000 1.218 162 D CA -0.258 53.795 54.000 0.089 0.000 0.945 162 D CB 0.611 41.454 40.800 0.072 0.000 1.137 162 D HN 0.357 nan 8.370 nan 0.000 0.464 163 D N 0.634 121.083 120.400 0.082 0.000 2.221 163 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 163 D C 2.151 178.526 176.300 0.125 0.000 0.982 163 D CA 1.430 55.486 54.000 0.093 0.000 0.857 163 D CB -0.550 40.289 40.800 0.064 0.000 0.934 163 D HN 0.691 nan 8.370 nan 0.000 0.475 164 G N 0.377 109.238 108.800 0.101 0.000 2.418 164 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 164 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 164 G C 1.730 176.718 174.900 0.147 0.000 1.158 164 G CA 1.364 46.537 45.100 0.122 0.000 0.771 164 G HN 0.222 nan 8.290 nan 0.000 0.545 165 T N 1.111 115.732 114.554 0.113 0.000 2.777 165 T HA -0.107 4.243 4.350 -0.000 0.000 0.266 165 T C 2.238 176.997 174.700 0.097 0.000 1.040 165 T CA 1.156 63.315 62.100 0.100 0.000 1.141 165 T CB -0.241 68.684 68.868 0.095 0.000 0.868 165 T HN 0.127 nan 8.240 nan 0.000 0.444 166 L N 0.374 121.662 121.223 0.109 0.000 2.017 166 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 166 L C 2.127 179.043 176.870 0.078 0.000 1.073 166 L CA 1.706 56.599 54.840 0.089 0.000 0.745 166 L CB -0.969 41.148 42.059 0.097 0.000 0.894 166 L HN 0.315 nan 8.230 nan 0.000 0.432 167 Y N -0.642 119.673 120.300 0.025 0.000 2.114 167 Y HA -0.321 4.229 4.550 -0.000 0.000 0.284 167 Y C 2.697 178.606 175.900 0.016 0.000 1.143 167 Y CA 2.251 60.361 58.100 0.017 0.000 1.135 167 Y CB -0.693 37.777 38.460 0.016 0.000 0.980 167 Y HN 0.281 nan 8.280 nan 0.000 0.499 168 C N -0.062 119.258 119.300 0.033 0.000 2.419 168 C HA -0.164 4.296 4.460 -0.000 0.000 0.281 168 C C 2.610 177.545 174.990 -0.092 0.000 1.336 168 C CA 1.767 60.761 59.018 -0.039 0.000 1.770 168 C CB -1.376 26.405 27.740 0.068 0.000 1.929 168 C HN 0.676 nan 8.230 nan 0.000 0.509 169 T N 1.172 115.691 114.554 -0.058 0.000 2.777 169 T HA -0.089 4.261 4.350 -0.000 0.000 0.266 169 T C 1.730 176.368 174.700 -0.104 0.000 1.040 169 T CA 1.073 63.142 62.100 -0.051 0.000 1.141 169 T CB -0.241 68.619 68.868 -0.013 0.000 0.868 169 T HN 0.459 nan 8.240 nan 0.000 0.444 170 L N 0.492 121.620 121.223 -0.159 0.000 2.042 170 L HA -0.105 4.235 4.340 -0.000 0.000 0.210 170 L C 2.441 179.182 176.870 -0.215 0.000 1.076 170 L CA 1.232 55.958 54.840 -0.189 0.000 0.749 170 L CB -0.624 41.298 42.059 -0.228 0.000 0.893 170 L HN 0.273 nan 8.230 nan 0.000 0.432 171 L N -0.745 120.299 121.223 -0.299 0.000 1.976 171 L HA -0.206 4.134 4.340 -0.000 0.000 0.209 171 L C 2.928 179.725 176.870 -0.122 0.000 1.071 171 L CA 1.288 55.993 54.840 -0.224 0.000 0.746 171 L CB -1.040 40.877 42.059 -0.237 0.000 0.890 171 L HN 0.229 nan 8.230 nan 0.000 0.432 172 A N 0.316 123.078 122.820 -0.098 0.000 1.903 172 A HA -0.304 4.016 4.320 -0.000 0.000 0.219 172 A C 2.533 180.082 177.584 -0.057 0.000 1.191 172 A CA 2.425 54.429 52.037 -0.056 0.000 0.638 172 A CB -0.938 18.039 19.000 -0.038 0.000 0.823 172 A HN 0.477 nan 8.150 nan 0.000 0.451 173 A N -0.476 122.296 122.820 -0.079 0.000 1.858 173 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 173 A C 2.155 179.686 177.584 -0.088 0.000 1.190 173 A CA 2.186 54.169 52.037 -0.090 0.000 0.617 173 A CB -0.547 18.383 19.000 -0.118 0.000 0.827 173 A HN 0.598 nan 8.150 nan 0.000 0.443 174 K N -0.295 120.053 120.400 -0.088 0.000 2.032 174 K HA -0.242 4.078 4.320 -0.000 0.000 0.209 174 K C 2.120 178.704 176.600 -0.026 0.000 1.048 174 K CA 1.883 58.136 56.287 -0.057 0.000 0.927 174 K CB -0.212 32.254 32.500 -0.056 0.000 0.712 174 K HN 0.647 nan 8.250 nan 0.000 0.441 175 E N 0.464 120.645 120.200 -0.031 0.000 2.017 175 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 175 E C 2.055 178.652 176.600 -0.005 0.000 0.997 175 E CA 1.468 57.860 56.400 -0.014 0.000 0.804 175 E CB -0.083 29.606 29.700 -0.018 0.000 0.757 175 E HN 0.341 nan 8.360 nan 0.000 0.448 176 L N -0.616 120.600 121.223 -0.012 0.000 2.291 176 L HA 0.051 4.391 4.340 -0.000 0.000 0.214 176 L C 1.281 178.156 176.870 0.007 0.000 1.120 176 L CA 0.591 55.430 54.840 -0.002 0.000 0.799 176 L CB -0.155 41.901 42.059 -0.006 0.000 0.925 176 L HN 0.496 nan 8.230 nan 0.000 0.446 177 G N 0.264 109.065 108.800 0.002 0.000 2.356 177 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.233 177 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.233 177 G C -0.126 174.777 174.900 0.005 0.000 1.105 177 G CA -0.084 45.037 45.100 0.036 0.000 0.861 177 G HN 0.529 nan 8.290 nan 0.000 0.493 178 A N -0.652 122.111 122.820 -0.096 0.000 2.430 178 A HA 0.951 5.271 4.320 -0.000 0.000 0.300 178 A C -0.532 176.840 177.584 -0.353 0.000 1.124 178 A CA -0.812 51.137 52.037 -0.147 0.000 0.766 178 A CB 1.894 20.847 19.000 -0.078 0.000 1.328 178 A HN 1.587 nan 8.150 nan 0.000 0.424 179 L N 1.560 122.565 121.223 -0.362 0.000 2.282 179 L HA 0.602 4.942 4.340 -0.000 0.000 0.288 179 L C -0.679 176.072 176.870 -0.198 0.000 1.033 179 L CA -0.272 54.300 54.840 -0.447 0.000 0.807 179 L CB 1.373 43.129 42.059 -0.504 0.000 1.209 179 L HN 0.396 nan 8.230 nan 0.000 0.423 180 V N 6.755 126.581 119.914 -0.147 0.000 2.461 180 V HA 0.338 4.458 4.120 -0.000 0.000 0.275 180 V C 0.568 176.662 176.094 -0.001 0.000 1.047 180 V CA -0.147 62.115 62.300 -0.063 0.000 0.955 180 V CB 0.918 32.709 31.823 -0.053 0.000 0.988 180 V HN 0.790 nan 8.190 nan 0.000 0.471 181 M N 4.965 124.566 119.600 0.001 0.000 2.423 181 M HA 0.685 5.165 4.480 -0.000 0.000 0.335 181 M C -0.995 175.298 176.300 -0.012 0.000 1.177 181 M CA -0.689 54.645 55.300 0.056 0.000 1.038 181 M CB 2.139 34.738 32.600 -0.002 0.000 1.641 181 M HN 0.356 nan 8.290 nan 0.000 0.455 182 V N 0.528 120.427 119.914 -0.024 0.000 2.808 182 V HA 0.229 4.349 4.120 -0.000 0.000 0.308 182 V C -1.318 174.690 176.094 -0.143 0.000 1.099 182 V CA -0.743 61.506 62.300 -0.086 0.000 0.920 182 V CB 2.065 33.867 31.823 -0.034 0.000 1.014 182 V HN 0.859 nan 8.190 nan 0.000 0.425 183 H N 3.569 122.496 119.070 -0.239 0.000 2.787 183 H HA 0.666 5.222 4.556 -0.000 0.000 0.275 183 H C 0.280 175.603 175.328 -0.009 0.000 1.183 183 H CA -0.057 55.918 56.048 -0.121 0.000 1.290 183 H CB 0.956 30.675 29.762 -0.073 0.000 1.438 183 H HN 0.855 nan 8.280 nan 0.000 0.487 184 A N 5.434 128.167 122.820 -0.145 0.000 2.807 184 A HA 0.264 4.584 4.320 -0.000 0.000 0.307 184 A C -0.241 177.297 177.584 -0.077 0.000 1.532 184 A CA -0.293 51.700 52.037 -0.072 0.000 1.215 184 A CB -0.208 18.743 19.000 -0.081 0.000 1.127 184 A HN 0.868 nan 8.150 nan 0.000 0.543 185 E N 1.232 121.443 120.200 0.017 0.000 2.308 185 E HA 0.110 4.460 4.350 -0.000 0.000 0.275 185 E C -1.050 175.578 176.600 0.048 0.000 0.890 185 E CA -0.800 55.606 56.400 0.011 0.000 0.754 185 E CB 1.444 31.160 29.700 0.027 0.000 1.207 185 E HN 0.597 nan 8.360 nan 0.000 0.426 186 N N 2.349 121.065 118.700 0.027 0.000 2.498 186 N HA -0.004 4.736 4.740 -0.000 0.000 0.277 186 N C 0.885 176.428 175.510 0.055 0.000 1.208 186 N CA 0.268 53.341 53.050 0.038 0.000 1.029 186 N CB 0.693 39.191 38.487 0.019 0.000 1.403 186 N HN 0.781 nan 8.380 nan 0.000 0.500 187 G N 2.789 111.636 108.800 0.078 0.000 2.476 187 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.218 187 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.218 187 G C 1.083 176.050 174.900 0.111 0.000 1.164 187 G CA 0.628 45.786 45.100 0.098 0.000 0.768 187 G HN 0.534 nan 8.290 nan 0.000 0.560 188 D N 0.074 120.531 120.400 0.096 0.000 2.149 188 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 188 D C 2.746 179.100 176.300 0.089 0.000 0.990 188 D CA 0.987 55.048 54.000 0.101 0.000 0.839 188 D CB -0.280 40.547 40.800 0.044 0.000 0.948 188 D HN 0.274 nan 8.370 nan 0.000 0.460 189 V N 1.237 121.174 119.914 0.038 0.000 2.346 189 V HA -0.136 3.984 4.120 -0.000 0.000 0.244 189 V C 2.565 178.724 176.094 0.109 0.000 1.037 189 V CA 0.711 63.026 62.300 0.023 0.000 1.029 189 V CB -0.282 31.538 31.823 -0.005 0.000 0.663 189 V HN 0.148 nan 8.190 nan 0.000 0.454 190 I N 0.596 121.226 120.570 0.100 0.000 2.248 190 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 190 I C 2.465 178.685 176.117 0.171 0.000 1.107 190 I CA 2.049 63.419 61.300 0.117 0.000 1.373 190 I CB -0.505 37.551 38.000 0.093 0.000 1.055 190 I HN 0.477 nan 8.210 nan 0.000 0.418 191 D N 0.684 121.203 120.400 0.198 0.000 2.087 191 D HA -0.244 4.396 4.640 -0.000 0.000 0.192 191 D C 2.201 178.646 176.300 0.242 0.000 0.993 191 D CA 1.861 55.991 54.000 0.216 0.000 0.828 191 D CB -0.090 40.853 40.800 0.239 0.000 0.968 191 D HN 0.260 nan 8.370 nan 0.000 0.448 192 Y N 1.187 121.525 120.300 0.063 0.000 2.165 192 Y HA -0.136 4.413 4.550 -0.000 0.000 0.286 192 Y C 2.620 178.562 175.900 0.070 0.000 1.155 192 Y CA 0.701 58.835 58.100 0.056 0.000 1.164 192 Y CB -0.717 37.771 38.460 0.046 0.000 0.978 192 Y HN 0.035 nan 8.280 nan 0.000 0.513 193 L N -1.233 120.141 121.223 0.251 0.000 2.042 193 L HA -0.294 4.046 4.340 -0.000 0.000 0.210 193 L C 2.355 179.344 176.870 0.198 0.000 1.076 193 L CA 1.905 56.856 54.840 0.186 0.000 0.749 193 L CB -1.051 41.098 42.059 0.151 0.000 0.893 193 L HN 0.210 nan 8.230 nan 0.000 0.432 194 T N -0.322 114.363 114.554 0.219 0.000 2.674 194 T HA -0.197 4.153 4.350 -0.000 0.000 0.265 194 T C 1.919 176.719 174.700 0.167 0.000 1.039 194 T CA 1.384 63.648 62.100 0.273 0.000 1.150 194 T CB -0.070 68.929 68.868 0.220 0.000 0.864 194 T HN 0.280 nan 8.240 nan 0.000 0.427 195 K N 0.885 121.331 120.400 0.077 0.000 2.020 195 K HA -0.154 4.166 4.320 -0.000 0.000 0.212 195 K C 2.430 179.045 176.600 0.024 0.000 1.050 195 K CA 1.345 57.635 56.287 0.004 0.000 0.929 195 K CB -0.206 32.248 32.500 -0.076 0.000 0.714 195 K HN 0.245 nan 8.250 nan 0.000 0.443 196 K N 0.880 121.311 120.400 0.051 0.000 2.057 196 K HA -0.162 4.158 4.320 -0.000 0.000 0.207 196 K C 2.201 178.835 176.600 0.056 0.000 1.049 196 K CA 1.261 57.578 56.287 0.051 0.000 0.931 196 K CB -0.147 32.398 32.500 0.076 0.000 0.714 196 K HN 0.149 nan 8.250 nan 0.000 0.440 197 A N 1.680 124.563 122.820 0.105 0.000 1.873 197 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 197 A C 2.172 179.782 177.584 0.043 0.000 1.193 197 A CA 1.782 53.871 52.037 0.085 0.000 0.629 197 A CB -0.831 18.313 19.000 0.239 0.000 0.826 197 A HN 0.345 nan 8.150 nan 0.000 0.447 198 L N -0.938 120.343 121.223 0.097 0.000 2.017 198 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 198 L C 3.062 179.926 176.870 -0.010 0.000 1.073 198 L CA 1.165 56.023 54.840 0.031 0.000 0.745 198 L CB -0.693 41.350 42.059 -0.026 0.000 0.894 198 L HN 0.446 nan 8.230 nan 0.000 0.432 199 A N -0.583 122.231 122.820 -0.008 0.000 2.139 199 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 199 A C 1.452 179.026 177.584 -0.018 0.000 1.159 199 A CA 1.908 53.935 52.037 -0.016 0.000 0.662 199 A CB -0.408 18.584 19.000 -0.012 0.000 0.796 199 A HN 0.440 nan 8.150 nan 0.000 0.463 200 D N -1.921 118.463 120.400 -0.027 0.000 2.402 200 D HA 0.317 4.957 4.640 -0.000 0.000 0.216 200 D C 1.285 177.546 176.300 -0.065 0.000 1.128 200 D CA 0.839 54.816 54.000 -0.038 0.000 0.833 200 D CB 0.221 40.999 40.800 -0.036 0.000 0.971 200 D HN 0.530 nan 8.370 nan 0.000 0.503 201 G N 1.549 110.310 108.800 -0.064 0.000 2.179 201 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.260 201 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.260 201 G C 0.204 175.023 174.900 -0.134 0.000 0.977 201 G CA -0.385 44.674 45.100 -0.067 0.000 0.641 201 G HN 0.241 nan 8.290 nan 0.000 0.533 202 N N 1.336 119.858 118.700 -0.296 0.000 2.402 202 N HA 0.320 5.060 4.740 -0.000 0.000 0.259 202 N C 1.308 176.627 175.510 -0.319 0.000 1.167 202 N CA 0.993 53.576 53.050 -0.778 0.000 0.949 202 N CB 1.114 38.579 38.487 -1.703 0.000 1.212 202 N HN 0.611 nan 8.380 nan 0.000 0.493 203 T N -3.289 111.268 114.554 0.006 0.000 2.975 203 T HA 0.083 4.433 4.350 -0.000 0.000 0.257 203 T C 0.394 175.377 174.700 0.471 0.000 1.003 203 T CA -0.326 61.987 62.100 0.354 0.000 0.932 203 T CB 0.441 69.426 68.868 0.195 0.000 1.087 203 T HN 0.108 nan 8.240 nan 0.000 0.512 204 D N 3.249 123.883 120.400 0.391 0.000 2.390 204 D HA 0.119 4.759 4.640 -0.000 0.000 0.236 204 D C -1.523 174.932 176.300 0.259 0.000 1.189 204 D CA -1.562 52.643 54.000 0.342 0.000 0.887 204 D CB 0.868 41.839 40.800 0.284 0.000 1.198 204 D HN 0.053 nan 8.370 nan 0.000 0.444 205 P HA -0.133 nan 4.420 nan 0.000 0.217 205 P C 1.648 178.916 177.300 -0.053 0.000 1.148 205 P CA 0.698 63.815 63.100 0.028 0.000 0.834 205 P CB 0.210 31.836 31.700 -0.123 0.000 0.783 206 I N -2.089 118.410 120.570 -0.118 0.000 2.454 206 I HA -0.257 3.913 4.170 -0.000 0.000 0.254 206 I C 1.449 177.318 176.117 -0.413 0.000 1.156 206 I CA 1.380 62.528 61.300 -0.254 0.000 1.433 206 I CB -0.161 37.643 38.000 -0.326 0.000 1.082 206 I HN -0.045 nan 8.210 nan 0.000 0.432 207 Y N -0.602 119.472 120.300 -0.377 0.000 2.639 207 Y HA -0.245 4.305 4.550 -0.000 0.000 0.297 207 Y C 2.371 177.756 175.900 -0.858 0.000 1.151 207 Y CA 1.337 59.069 58.100 -0.615 0.000 1.335 207 Y CB -0.607 37.405 38.460 -0.747 0.000 0.994 207 Y HN 0.380 nan 8.280 nan 0.000 0.548 208 H N -0.238 118.438 119.070 -0.657 0.000 2.389 208 H HA -0.093 4.463 4.556 -0.000 0.000 0.299 208 H C 2.123 177.386 175.328 -0.108 0.000 1.081 208 H CA 1.458 57.354 56.048 -0.254 0.000 1.345 208 H CB -0.037 29.728 29.762 0.006 0.000 1.393 208 H HN 0.204 nan 8.280 nan 0.000 0.520 209 A N 0.628 123.293 122.820 -0.257 0.000 1.855 209 A HA 0.020 4.340 4.320 -0.000 0.000 0.213 209 A C 2.463 179.932 177.584 -0.193 0.000 1.195 209 A CA 1.158 53.052 52.037 -0.239 0.000 0.610 209 A CB -0.793 18.121 19.000 -0.144 0.000 0.837 209 A HN 0.437 nan 8.150 nan 0.000 0.444 210 L N -0.726 120.380 121.223 -0.195 0.000 2.191 210 L HA -0.125 4.214 4.340 -0.000 0.000 0.212 210 L C 2.516 179.355 176.870 -0.052 0.000 1.103 210 L CA 1.509 56.274 54.840 -0.125 0.000 0.769 210 L CB -0.763 41.194 42.059 -0.170 0.000 0.908 210 L HN 0.344 nan 8.230 nan 0.000 0.438 211 T N 0.225 114.741 114.554 -0.064 0.000 3.072 211 T HA -0.030 4.319 4.350 -0.000 0.000 0.266 211 T C 0.836 175.549 174.700 0.022 0.000 1.127 211 T CA 0.451 62.572 62.100 0.034 0.000 1.107 211 T CB -0.063 68.875 68.868 0.117 0.000 0.910 211 T HN 0.410 nan 8.240 nan 0.000 0.513 212 R N 1.495 121.963 120.500 -0.052 0.000 2.718 212 R HA 0.320 4.660 4.340 -0.000 0.000 0.266 212 R C -3.334 172.925 176.300 -0.067 0.000 1.776 212 R CA -1.766 54.303 56.100 -0.051 0.000 1.567 212 R CB 0.573 30.825 30.300 -0.079 0.000 1.336 212 R HN 0.099 nan 8.270 nan 0.000 0.619 213 P HA 0.065 nan 4.420 nan 0.000 0.267 213 P C -1.740 175.530 177.300 -0.050 0.000 1.200 213 P CA -0.873 62.207 63.100 -0.034 0.000 0.772 213 P CB 0.922 32.622 31.700 0.000 0.000 0.855 214 P HA -0.177 nan 4.420 nan 0.000 0.221 214 P C 1.067 178.341 177.300 -0.042 0.000 1.145 214 P CA 1.447 64.487 63.100 -0.100 0.000 0.795 214 P CB 0.160 31.766 31.700 -0.156 0.000 0.775 215 E N 0.292 120.490 120.200 -0.003 0.000 2.085 215 E HA -0.126 4.224 4.350 -0.000 0.000 0.194 215 E C 2.136 178.732 176.600 -0.007 0.000 0.994 215 E CA 1.057 57.463 56.400 0.011 0.000 0.801 215 E CB -1.042 28.672 29.700 0.022 0.000 0.743 215 E HN 0.302 nan 8.360 nan 0.000 0.453 216 L N 0.321 121.535 121.223 -0.016 0.000 2.291 216 L HA -0.077 4.263 4.340 -0.000 0.000 0.214 216 L C 2.428 179.279 176.870 -0.032 0.000 1.120 216 L CA 0.911 55.741 54.840 -0.017 0.000 0.799 216 L CB -0.242 41.811 42.059 -0.010 0.000 0.925 216 L HN 0.170 nan 8.230 nan 0.000 0.446 217 E N 0.535 120.700 120.200 -0.058 0.000 2.076 217 E HA -0.118 4.232 4.350 -0.000 0.000 0.190 217 E C 2.220 178.780 176.600 -0.066 0.000 0.979 217 E CA 0.897 57.246 56.400 -0.083 0.000 0.807 217 E CB -0.035 29.584 29.700 -0.134 0.000 0.761 217 E HN 0.395 nan 8.360 nan 0.000 0.454 218 G N 1.551 110.320 108.800 -0.051 0.000 2.421 218 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.216 218 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.216 218 G C 1.491 176.378 174.900 -0.023 0.000 1.171 218 G CA 0.806 45.886 45.100 -0.033 0.000 0.775 218 G HN 0.234 nan 8.290 nan 0.000 0.543 219 E N 1.362 121.553 120.200 -0.015 0.000 2.033 219 E HA -0.201 4.149 4.350 -0.000 0.000 0.199 219 E C 2.861 179.456 176.600 -0.009 0.000 1.011 219 E CA 1.604 58.000 56.400 -0.008 0.000 0.815 219 E CB -0.701 28.997 29.700 -0.004 0.000 0.755 219 E HN 0.247 nan 8.360 nan 0.000 0.451 220 A N 0.290 123.104 122.820 -0.010 0.000 1.873 220 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 220 A C 2.533 180.109 177.584 -0.013 0.000 1.193 220 A CA 2.868 54.903 52.037 -0.004 0.000 0.629 220 A CB -1.295 17.704 19.000 -0.002 0.000 0.826 220 A HN 0.439 nan 8.150 nan 0.000 0.447 221 T N -0.200 114.334 114.554 -0.033 0.000 2.737 221 T HA -0.104 4.246 4.350 -0.000 0.000 0.269 221 T C 1.887 176.571 174.700 -0.028 0.000 1.040 221 T CA 1.576 63.651 62.100 -0.042 0.000 1.142 221 T CB -0.684 68.148 68.868 -0.060 0.000 0.861 221 T HN 0.641 nan 8.240 nan 0.000 0.456 222 G N 1.517 110.305 108.800 -0.020 0.000 2.421 222 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.216 222 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.216 222 G C 1.710 176.608 174.900 -0.003 0.000 1.171 222 G CA 0.319 45.411 45.100 -0.013 0.000 0.775 222 G HN 0.406 nan 8.290 nan 0.000 0.543 223 R N 0.671 121.173 120.500 0.004 0.000 2.080 223 R HA -0.085 4.255 4.340 -0.000 0.000 0.236 223 R C 3.051 179.366 176.300 0.025 0.000 1.137 223 R CA 1.308 57.418 56.100 0.017 0.000 0.943 223 R CB -0.729 29.585 30.300 0.023 0.000 0.846 223 R HN 0.335 nan 8.270 nan 0.000 0.431 224 A N 1.120 123.951 122.820 0.019 0.000 1.903 224 A HA -0.266 4.054 4.320 -0.000 0.000 0.219 224 A C 2.581 180.174 177.584 0.016 0.000 1.191 224 A CA 1.960 54.009 52.037 0.020 0.000 0.638 224 A CB -1.089 17.912 19.000 0.002 0.000 0.823 224 A HN 0.496 nan 8.150 nan 0.000 0.451 225 C N -1.223 118.077 119.300 -0.000 0.000 2.442 225 C HA -0.133 4.327 4.460 -0.000 0.000 0.279 225 C C 2.935 177.929 174.990 0.008 0.000 1.237 225 C CA 1.197 60.210 59.018 -0.008 0.000 1.722 225 C CB -1.503 26.222 27.740 -0.025 0.000 2.056 225 C HN 0.704 nan 8.230 nan 0.000 0.469 226 Q N 0.295 120.102 119.800 0.012 0.000 2.077 226 Q HA -0.216 4.124 4.340 -0.000 0.000 0.206 226 Q C 2.194 178.225 176.000 0.052 0.000 0.989 226 Q CA 1.517 57.334 55.803 0.022 0.000 0.853 226 Q CB -0.360 28.387 28.738 0.015 0.000 0.907 226 Q HN 0.677 nan 8.270 nan 0.000 0.418 227 L N -0.004 121.264 121.223 0.075 0.000 2.046 227 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 227 L C 2.437 179.386 176.870 0.131 0.000 1.077 227 L CA 1.332 56.264 54.840 0.154 0.000 0.747 227 L CB -0.799 41.369 42.059 0.181 0.000 0.896 227 L HN 0.271 nan 8.230 nan 0.000 0.432 228 T N -0.927 113.662 114.554 0.059 0.000 2.803 228 T HA -0.252 4.097 4.350 -0.000 0.000 0.269 228 T C 1.705 176.418 174.700 0.023 0.000 1.052 228 T CA 1.615 63.726 62.100 0.019 0.000 1.136 228 T CB -0.132 68.737 68.868 0.003 0.000 0.864 228 T HN 0.422 nan 8.240 nan 0.000 0.467 229 E N 0.534 120.754 120.200 0.034 0.000 2.015 229 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 229 E C 2.236 178.871 176.600 0.058 0.000 0.991 229 E CA 0.801 57.218 56.400 0.029 0.000 0.802 229 E CB -0.249 29.463 29.700 0.019 0.000 0.759 229 E HN 0.286 nan 8.360 nan 0.000 0.447 230 L N 1.248 122.531 121.223 0.099 0.000 1.997 230 L HA -0.217 4.123 4.340 -0.000 0.000 0.216 230 L C 2.355 179.342 176.870 0.196 0.000 1.074 230 L CA 2.576 57.508 54.840 0.154 0.000 0.763 230 L CB -0.714 41.473 42.059 0.212 0.000 0.890 230 L HN 0.264 nan 8.230 nan 0.000 0.434 231 A N -1.236 121.693 122.820 0.182 0.000 2.066 231 A HA 0.201 4.521 4.320 -0.000 0.000 0.218 231 A C 1.826 179.399 177.584 -0.018 0.000 1.157 231 A CA 1.028 53.056 52.037 -0.015 0.000 0.670 231 A CB -1.056 17.766 19.000 -0.296 0.000 0.804 231 A HN 1.014 nan 8.150 nan 0.000 0.453 232 G N -0.499 108.306 108.800 0.009 0.000 2.160 232 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.251 232 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.251 232 G C 0.534 175.430 174.900 -0.006 0.000 1.008 232 G CA 1.196 46.300 45.100 0.006 0.000 0.724 232 G HN 1.470 nan 8.290 nan 0.000 0.514 233 S N -0.959 114.725 115.700 -0.027 0.000 2.496 233 S HA 0.817 5.287 4.470 -0.000 0.000 0.260 233 S C -0.004 174.590 174.600 -0.010 0.000 1.122 233 S CA 0.144 58.323 58.200 -0.035 0.000 1.019 233 S CB 1.101 64.249 63.200 -0.087 0.000 1.226 233 S HN 0.994 nan 8.310 nan 0.000 0.502 234 Q N 0.411 120.182 119.800 -0.048 0.000 2.353 234 Q HA 0.720 5.060 4.340 -0.000 0.000 0.268 234 Q C -1.640 174.361 176.000 0.002 0.000 1.045 234 Q CA -0.837 54.968 55.803 0.003 0.000 0.811 234 Q CB 1.673 30.385 28.738 -0.044 0.000 1.305 234 Q HN 0.555 nan 8.270 nan 0.000 0.447 235 L N 2.441 123.724 121.223 0.101 0.000 2.333 235 L HA 0.622 4.962 4.340 -0.000 0.000 0.269 235 L C -1.793 175.243 176.870 0.276 0.000 1.010 235 L CA -0.883 54.025 54.840 0.114 0.000 0.818 235 L CB 1.955 44.043 42.059 0.048 0.000 1.306 235 L HN 0.697 nan 8.230 nan 0.000 0.430 236 Y N 3.778 124.119 120.300 0.068 0.000 2.400 236 Y HA 0.536 5.086 4.550 -0.000 0.000 0.335 236 Y C -1.339 174.573 175.900 0.020 0.000 1.066 236 Y CA -0.909 57.251 58.100 0.101 0.000 1.285 236 Y CB 1.199 39.684 38.460 0.042 0.000 1.103 236 Y HN 0.295 nan 8.280 nan 0.000 0.490 237 V N 7.235 127.047 119.914 -0.169 0.000 2.439 237 V HA 0.234 4.354 4.120 -0.000 0.000 0.271 237 V C 0.433 176.342 176.094 -0.308 0.000 1.040 237 V CA -0.332 61.856 62.300 -0.186 0.000 1.002 237 V CB 0.388 32.111 31.823 -0.167 0.000 1.000 237 V HN 0.619 nan 8.190 nan 0.000 0.477 238 V N 3.156 122.914 119.914 -0.259 0.000 2.834 238 V HA 0.452 4.572 4.120 -0.000 0.000 0.301 238 V C 0.494 176.282 176.094 -0.511 0.000 1.066 238 V CA -0.600 61.512 62.300 -0.313 0.000 1.052 238 V CB 0.383 31.977 31.823 -0.383 0.000 1.021 238 V HN 1.286 nan 8.190 nan 0.000 0.480 239 H N 0.498 119.614 119.070 0.076 0.000 2.252 239 H HA -0.119 4.437 4.556 -0.000 0.000 0.309 239 H C -0.521 174.643 175.328 -0.273 0.000 0.889 239 H CA 0.352 56.369 56.048 -0.052 0.000 1.021 239 H CB -2.591 27.193 29.762 0.036 0.000 1.597 239 H HN 0.691 nan 8.280 nan 0.000 0.317 240 V N 2.776 122.616 119.914 -0.123 0.000 2.508 240 V HA 0.090 4.210 4.120 -0.000 0.000 0.281 240 V C 1.300 177.205 176.094 -0.314 0.000 1.041 240 V CA 0.748 62.934 62.300 -0.190 0.000 1.016 240 V CB 1.311 33.040 31.823 -0.157 0.000 0.984 240 V HN 0.944 nan 8.190 nan 0.000 0.478 241 T N 3.039 117.356 114.554 -0.394 0.000 3.111 241 T HA 0.073 4.423 4.350 -0.000 0.000 0.236 241 T C 0.760 175.238 174.700 -0.371 0.000 0.984 241 T CA 0.750 62.538 62.100 -0.520 0.000 1.195 241 T CB 0.357 68.817 68.868 -0.680 0.000 0.929 241 T HN 0.873 nan 8.240 nan 0.000 0.431 242 C N 1.332 120.416 119.300 -0.361 0.000 2.345 242 C HA 0.933 5.393 4.460 -0.000 0.000 0.369 242 C C 2.240 177.180 174.990 -0.082 0.000 1.273 242 C CA -0.648 58.128 59.018 -0.402 0.000 2.310 242 C CB 0.441 27.916 27.740 -0.442 0.000 2.219 242 C HN 0.503 nan 8.230 nan 0.000 0.587 243 A N 0.051 122.983 122.820 0.187 0.000 1.873 243 A HA -0.087 4.233 4.320 -0.000 0.000 0.215 243 A C 2.097 179.726 177.584 0.076 0.000 1.186 243 A CA 1.995 54.098 52.037 0.111 0.000 0.616 243 A CB -1.015 18.053 19.000 0.114 0.000 0.823 243 A HN 0.958 nan 8.150 nan 0.000 0.442 244 Q N 0.100 119.958 119.800 0.096 0.000 2.133 244 Q HA -0.188 4.152 4.340 -0.000 0.000 0.208 244 Q C 2.259 178.261 176.000 0.002 0.000 0.991 244 Q CA 2.234 58.070 55.803 0.056 0.000 0.867 244 Q CB -0.675 28.093 28.738 0.051 0.000 0.911 244 Q HN 0.686 nan 8.270 nan 0.000 0.417 245 A N -0.117 122.681 122.820 -0.037 0.000 1.873 245 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 245 A C 2.344 179.894 177.584 -0.057 0.000 1.186 245 A CA 1.497 53.496 52.037 -0.064 0.000 0.616 245 A CB -0.837 18.098 19.000 -0.108 0.000 0.823 245 A HN 0.222 nan 8.150 nan 0.000 0.442 246 V N 0.341 120.225 119.914 -0.050 0.000 2.324 246 V HA -0.323 3.797 4.120 -0.000 0.000 0.250 246 V C 2.521 178.598 176.094 -0.028 0.000 1.060 246 V CA 2.444 64.719 62.300 -0.043 0.000 1.042 246 V CB -0.856 30.953 31.823 -0.023 0.000 0.650 246 V HN 0.764 nan 8.190 nan 0.000 0.450 247 E N 0.183 120.379 120.200 -0.007 0.000 2.038 247 E HA -0.262 4.088 4.350 -0.000 0.000 0.195 247 E C 2.328 178.916 176.600 -0.019 0.000 1.000 247 E CA 1.314 57.713 56.400 -0.001 0.000 0.803 247 E CB -0.009 29.703 29.700 0.020 0.000 0.750 247 E HN 0.434 nan 8.360 nan 0.000 0.448 248 K N 0.519 120.904 120.400 -0.024 0.000 2.044 248 K HA -0.160 4.160 4.320 -0.000 0.000 0.210 248 K C 2.235 178.805 176.600 -0.049 0.000 1.049 248 K CA 1.204 57.472 56.287 -0.032 0.000 0.927 248 K CB -0.562 31.918 32.500 -0.033 0.000 0.713 248 K HN 0.358 nan 8.250 nan 0.000 0.443 249 I N 0.934 121.467 120.570 -0.062 0.000 2.361 249 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 249 I C 2.436 178.500 176.117 -0.090 0.000 1.133 249 I CA 0.962 62.212 61.300 -0.085 0.000 1.413 249 I CB -0.370 37.573 38.000 -0.095 0.000 1.073 249 I HN 0.061 nan 8.210 nan 0.000 0.424 250 A N 0.739 123.518 122.820 -0.067 0.000 1.873 250 A HA -0.210 4.110 4.320 -0.000 0.000 0.215 250 A C 2.197 179.743 177.584 -0.063 0.000 1.186 250 A CA 1.565 53.565 52.037 -0.063 0.000 0.616 250 A CB -0.556 18.422 19.000 -0.037 0.000 0.823 250 A HN 0.412 nan 8.150 nan 0.000 0.442 251 E N -0.060 120.110 120.200 -0.049 0.000 2.049 251 E HA -0.184 4.166 4.350 -0.000 0.000 0.198 251 E C 2.363 178.928 176.600 -0.059 0.000 1.007 251 E CA 1.103 57.476 56.400 -0.045 0.000 0.809 251 E CB -0.389 29.291 29.700 -0.033 0.000 0.749 251 E HN 0.605 nan 8.360 nan 0.000 0.450 252 A N 1.744 124.522 122.820 -0.069 0.000 1.859 252 A HA -0.265 4.055 4.320 -0.000 0.000 0.217 252 A C 2.104 179.621 177.584 -0.111 0.000 1.198 252 A CA 1.902 53.889 52.037 -0.083 0.000 0.629 252 A CB -0.650 18.295 19.000 -0.092 0.000 0.830 252 A HN 0.119 nan 8.150 nan 0.000 0.446 253 R N -0.585 119.828 120.500 -0.146 0.000 2.193 253 R HA -0.100 4.239 4.340 -0.000 0.000 0.229 253 R C 1.714 177.936 176.300 -0.130 0.000 1.110 253 R CA 1.185 57.175 56.100 -0.183 0.000 0.988 253 R CB -0.359 29.804 30.300 -0.228 0.000 0.871 253 R HN 0.525 nan 8.270 nan 0.000 0.458 254 N N 1.073 119.717 118.700 -0.094 0.000 2.188 254 N HA -0.106 4.634 4.740 -0.000 0.000 0.184 254 N C 0.987 176.460 175.510 -0.061 0.000 1.018 254 N CA 1.167 54.176 53.050 -0.069 0.000 0.858 254 N CB 0.006 38.463 38.487 -0.051 0.000 0.989 254 N HN 0.185 nan 8.380 nan 0.000 0.426 255 K N 0.118 120.481 120.400 -0.061 0.000 2.589 255 K HA 0.092 4.412 4.320 -0.000 0.000 0.192 255 K C 0.812 177.379 176.600 -0.055 0.000 1.029 255 K CA 0.416 56.674 56.287 -0.049 0.000 1.031 255 K CB -0.004 32.471 32.500 -0.042 0.000 0.821 255 K HN 0.262 nan 8.250 nan 0.000 0.502 256 G N 1.471 110.226 108.800 -0.074 0.000 2.184 256 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.264 256 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.264 256 G C 0.239 175.088 174.900 -0.086 0.000 0.975 256 G CA -0.053 45.001 45.100 -0.077 0.000 0.642 256 G HN 0.220 nan 8.290 nan 0.000 0.536 257 L N 0.859 122.028 121.223 -0.089 0.000 2.506 257 L HA 0.179 4.519 4.340 -0.000 0.000 0.281 257 L C 0.725 177.511 176.870 -0.140 0.000 1.228 257 L CA 0.055 54.843 54.840 -0.086 0.000 0.850 257 L CB 0.355 42.367 42.059 -0.077 0.000 1.110 257 L HN 0.075 nan 8.230 nan 0.000 0.496 258 D N 2.622 122.967 120.400 -0.092 0.000 2.619 258 D HA 0.228 4.868 4.640 -0.000 0.000 0.224 258 D C -0.796 175.411 176.300 -0.156 0.000 1.133 258 D CA -0.035 53.903 54.000 -0.104 0.000 1.017 258 D CB 0.220 41.082 40.800 0.103 0.000 1.077 258 D HN 0.056 nan 8.370 nan 0.000 0.503 259 V N 2.238 121.922 119.914 -0.383 0.000 2.581 259 V HA 0.550 4.669 4.120 -0.000 0.000 0.303 259 V C -0.461 175.277 176.094 -0.592 0.000 1.041 259 V CA -0.755 61.368 62.300 -0.295 0.000 0.907 259 V CB 1.785 33.496 31.823 -0.188 0.000 0.994 259 V HN 0.262 nan 8.190 nan 0.000 0.442 260 W N 1.200 122.457 121.300 -0.072 0.000 2.950 260 W HA 0.783 5.443 4.660 -0.000 0.000 0.340 260 W C 0.207 176.542 176.519 -0.306 0.000 1.139 260 W CA -0.681 56.582 57.345 -0.137 0.000 1.188 260 W CB 2.117 31.542 29.460 -0.058 0.000 1.426 260 W HN 0.787 nan 8.180 nan 0.000 0.531 261 G N 0.931 109.687 108.800 -0.073 0.000 2.524 261 G HA2 0.610 4.570 3.960 -0.000 0.000 0.310 261 G HA3 0.610 4.570 3.960 -0.000 0.000 0.310 261 G C -1.816 172.932 174.900 -0.254 0.000 1.279 261 G CA -0.566 44.402 45.100 -0.221 0.000 0.974 261 G HN 0.403 nan 8.290 nan 0.000 0.484 262 E N 0.331 120.349 120.200 -0.303 0.000 2.343 262 E HA 0.714 5.064 4.350 -0.000 0.000 0.270 262 E C -0.983 175.574 176.600 -0.071 0.000 0.895 262 E CA -0.492 55.813 56.400 -0.159 0.000 0.767 262 E CB 2.380 31.994 29.700 -0.142 0.000 1.248 262 E HN 0.382 nan 8.360 nan 0.000 0.440 263 T N 0.672 115.216 114.554 -0.015 0.000 2.838 263 T HA 0.565 4.915 4.350 -0.000 0.000 0.292 263 T C -1.021 173.721 174.700 0.071 0.000 1.113 263 T CA -0.439 61.666 62.100 0.010 0.000 1.008 263 T CB 1.208 70.033 68.868 -0.071 0.000 1.259 263 T HN 0.628 nan 8.240 nan 0.000 0.520 264 C N 2.181 121.570 119.300 0.149 0.000 2.712 264 C HA 0.481 4.941 4.460 -0.000 0.000 0.308 264 C C -1.304 173.678 174.990 -0.013 0.000 1.201 264 C CA -1.583 57.475 59.018 0.066 0.000 1.554 264 C CB 2.018 29.790 27.740 0.054 0.000 2.117 264 C HN 0.649 nan 8.230 nan 0.000 0.480 265 P HA -0.299 nan 4.420 nan 0.000 0.217 265 P C 1.507 178.793 177.300 -0.024 0.000 1.158 265 P CA 2.261 65.310 63.100 -0.086 0.000 0.887 265 P CB 0.047 31.674 31.700 -0.121 0.000 0.792 266 Q N -0.161 119.618 119.800 -0.035 0.000 2.217 266 Q HA -0.212 4.128 4.340 -0.000 0.000 0.209 266 Q C 1.907 177.798 176.000 -0.180 0.000 0.988 266 Q CA 1.836 57.572 55.803 -0.112 0.000 0.878 266 Q CB -1.667 26.658 28.738 -0.688 0.000 0.909 266 Q HN 0.430 nan 8.270 nan 0.000 0.424 267 Y N -0.491 119.798 120.300 -0.020 0.000 2.523 267 Y HA 0.072 4.621 4.550 -0.000 0.000 0.279 267 Y C 1.914 177.771 175.900 -0.070 0.000 1.139 267 Y CA -0.106 57.975 58.100 -0.032 0.000 1.296 267 Y CB 0.374 38.786 38.460 -0.079 0.000 1.045 267 Y HN 0.047 nan 8.280 nan 0.000 0.538 268 L N -1.620 119.610 121.223 0.012 0.000 2.298 268 L HA 0.043 4.383 4.340 -0.000 0.000 0.209 268 L C 1.653 178.592 176.870 0.116 0.000 1.084 268 L CA 0.945 55.709 54.840 -0.127 0.000 0.816 268 L CB 0.076 41.887 42.059 -0.412 0.000 0.967 268 L HN 0.006 nan 8.230 nan 0.000 0.460 269 V N -1.675 118.315 119.914 0.127 0.000 3.013 269 V HA 0.161 4.281 4.120 -0.000 0.000 0.238 269 V C 0.963 177.133 176.094 0.127 0.000 1.161 269 V CA 0.036 62.443 62.300 0.179 0.000 1.170 269 V CB 0.522 32.434 31.823 0.148 0.000 0.917 269 V HN -0.002 nan 8.190 nan 0.000 0.478 270 L N 1.005 122.259 121.223 0.051 0.000 2.448 270 L HA 0.561 4.901 4.340 -0.000 0.000 0.258 270 L C -0.372 176.461 176.870 -0.061 0.000 1.104 270 L CA -0.205 54.504 54.840 -0.218 0.000 0.800 270 L CB 0.936 42.763 42.059 -0.387 0.000 1.241 270 L HN 0.487 nan 8.230 nan 0.000 0.472 271 D N -2.958 117.393 120.400 -0.082 0.000 2.665 271 D HA 0.081 4.721 4.640 -0.000 0.000 0.287 271 D C 0.119 176.480 176.300 0.102 0.000 1.266 271 D CA -0.765 53.286 54.000 0.086 0.000 0.830 271 D CB 1.062 41.950 40.800 0.147 0.000 1.356 271 D HN 0.482 nan 8.370 nan 0.000 0.437 272 Q N -0.005 119.840 119.800 0.076 0.000 2.133 272 Q HA -0.273 4.066 4.340 -0.000 0.000 0.208 272 Q C 1.683 177.694 176.000 0.017 0.000 0.991 272 Q CA 2.857 58.677 55.803 0.030 0.000 0.867 272 Q CB -0.253 28.494 28.738 0.014 0.000 0.911 272 Q HN 0.590 nan 8.270 nan 0.000 0.417 273 S N -0.608 115.120 115.700 0.046 0.000 2.374 273 S HA -0.234 4.236 4.470 -0.000 0.000 0.227 273 S C 1.632 176.178 174.600 -0.090 0.000 1.037 273 S CA 1.434 59.618 58.200 -0.027 0.000 1.024 273 S CB -1.025 62.146 63.200 -0.048 0.000 0.861 273 S HN 0.539 nan 8.310 nan 0.000 0.456 274 Y N 1.923 122.056 120.300 -0.278 0.000 2.446 274 Y HA 0.024 4.574 4.550 -0.000 0.000 0.287 274 Y C 2.100 177.795 175.900 -0.343 0.000 1.159 274 Y CA 0.575 58.373 58.100 -0.503 0.000 1.297 274 Y CB -0.608 37.188 38.460 -1.107 0.000 0.974 274 Y HN 0.275 nan 8.280 nan 0.000 0.557 275 L N -0.698 120.477 121.223 -0.079 0.000 2.492 275 L HA -0.090 4.250 4.340 -0.000 0.000 0.223 275 L C 1.704 178.527 176.870 -0.078 0.000 1.132 275 L CA 0.891 55.691 54.840 -0.067 0.000 0.850 275 L CB -0.168 41.837 42.059 -0.090 0.000 0.966 275 L HN 0.290 nan 8.230 nan 0.000 0.454 276 E N 0.232 120.379 120.200 -0.088 0.000 2.216 276 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 276 E C 0.827 177.388 176.600 -0.064 0.000 0.973 276 E CA -0.091 56.262 56.400 -0.078 0.000 0.851 276 E CB 0.278 29.927 29.700 -0.085 0.000 0.804 276 E HN 0.240 nan 8.360 nan 0.000 0.477 277 K N 2.731 123.074 120.400 -0.094 0.000 2.245 277 K HA 0.075 4.395 4.320 -0.000 0.000 0.281 277 K C -2.552 174.023 176.600 -0.042 0.000 1.079 277 K CA -0.532 55.700 56.287 -0.091 0.000 1.000 277 K CB 0.309 32.703 32.500 -0.178 0.000 1.038 277 K HN -0.104 nan 8.250 nan 0.000 0.430 278 P HA 0.146 nan 4.420 nan 0.000 0.383 278 P C -1.200 176.142 177.300 0.070 0.000 1.216 278 P CA -0.567 62.544 63.100 0.019 0.000 1.570 278 P CB 1.253 32.955 31.700 0.004 0.000 3.134 279 N N -0.485 118.274 118.700 0.098 0.000 2.453 279 N HA -0.292 4.448 4.740 -0.000 0.000 0.177 279 N C 0.319 175.993 175.510 0.275 0.000 0.529 279 N CA 2.208 55.351 53.050 0.156 0.000 1.553 279 N CB -1.599 36.981 38.487 0.155 0.000 1.408 279 N HN 0.590 nan 8.380 nan 0.000 0.400 280 F N 2.085 122.108 119.950 0.122 0.000 2.915 280 F HA 0.320 4.847 4.527 -0.000 0.000 0.347 280 F C 1.534 177.462 175.800 0.213 0.000 1.104 280 F CA -0.095 58.007 58.000 0.171 0.000 1.126 280 F CB 0.266 39.372 39.000 0.177 0.000 1.145 280 F HN 0.107 nan 8.300 nan 0.000 0.541 281 E N 0.584 120.825 120.200 0.069 0.000 2.233 281 E HA -0.211 4.139 4.350 -0.000 0.000 0.199 281 E C 2.315 178.723 176.600 -0.320 0.000 1.004 281 E CA 1.270 57.504 56.400 -0.277 0.000 0.819 281 E CB -0.574 29.034 29.700 -0.153 0.000 0.738 281 E HN 0.583 nan 8.360 nan 0.000 0.478 282 G N 1.530 110.213 108.800 -0.196 0.000 2.513 282 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.219 282 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.219 282 G C 1.748 176.468 174.900 -0.300 0.000 1.160 282 G CA 1.640 46.653 45.100 -0.146 0.000 0.767 282 G HN 0.423 nan 8.290 nan 0.000 0.571 283 A N 0.613 123.088 122.820 -0.575 0.000 2.093 283 A HA -0.133 4.187 4.320 -0.000 0.000 0.222 283 A C 2.252 179.558 177.584 -0.464 0.000 1.162 283 A CA 2.106 53.801 52.037 -0.570 0.000 0.655 283 A CB -0.391 18.047 19.000 -0.936 0.000 0.805 283 A HN 0.465 nan 8.150 nan 0.000 0.461 284 K N -1.804 118.178 120.400 -0.696 0.000 2.280 284 K HA -0.132 4.188 4.320 -0.000 0.000 0.202 284 K C 0.445 176.495 176.600 -0.916 0.000 1.047 284 K CA 1.386 57.057 56.287 -1.027 0.000 0.942 284 K CB -0.193 31.347 32.500 -1.599 0.000 0.739 284 K HN 0.736 nan 8.250 nan 0.000 0.457 285 Y N -0.215 119.747 120.300 -0.563 0.000 2.555 285 Y HA 0.140 4.690 4.550 -0.000 0.000 0.259 285 Y C 0.146 175.165 175.900 -1.468 0.000 1.179 285 Y CA -0.547 56.875 58.100 -1.130 0.000 1.230 285 Y CB 0.518 38.556 38.460 -0.703 0.000 1.146 285 Y HN -0.304 nan 8.280 nan 0.000 0.526 286 V N 2.470 121.948 119.914 -0.727 0.000 2.405 286 V HA 0.139 4.259 4.120 -0.000 0.000 0.264 286 V C -0.661 175.270 176.094 -0.272 0.000 1.048 286 V CA -0.315 61.661 62.300 -0.540 0.000 0.966 286 V CB -0.956 30.616 31.823 -0.418 0.000 1.015 286 V HN 0.456 nan 8.190 nan 0.000 0.477 287 W N 2.866 124.243 121.300 0.129 0.000 3.153 287 W HA 0.743 5.403 4.660 -0.000 0.000 0.316 287 W C -0.994 175.767 176.519 0.404 0.000 1.255 287 W CA -1.200 56.273 57.345 0.213 0.000 1.192 287 W CB 0.592 30.133 29.460 0.136 0.000 1.400 287 W HN 0.208 nan 8.180 nan 0.000 0.568 288 S N 2.012 118.113 115.700 0.668 0.000 2.482 288 S HA 0.708 5.178 4.470 -0.000 0.000 0.303 288 S C -2.565 172.141 174.600 0.176 0.000 1.091 288 S CA -1.186 57.298 58.200 0.473 0.000 1.057 288 S CB 1.803 65.266 63.200 0.439 0.000 1.031 288 S HN 0.179 nan 8.310 nan 0.000 0.485 289 P HA 0.246 nan 4.420 nan 0.000 0.272 289 P C -2.512 174.944 177.300 0.259 0.000 1.230 289 P CA -1.237 61.849 63.100 -0.023 0.000 0.788 289 P CB -0.206 31.337 31.700 -0.262 0.000 0.949 290 P HA 0.083 nan 4.420 nan 0.000 0.274 290 P C -0.327 177.129 177.300 0.261 0.000 1.231 290 P CA 0.012 63.224 63.100 0.188 0.000 0.790 290 P CB 0.602 32.249 31.700 -0.088 0.000 0.951 291 L N 2.368 123.766 121.223 0.291 0.000 2.514 291 L HA 0.068 4.408 4.340 -0.000 0.000 0.280 291 L C 1.629 178.546 176.870 0.079 0.000 1.223 291 L CA 0.187 55.191 54.840 0.274 0.000 0.864 291 L CB -0.177 41.982 42.059 0.166 0.000 1.118 291 L HN 0.353 nan 8.230 nan 0.000 0.494 292 R N 1.938 122.448 120.500 0.017 0.000 2.730 292 R HA 0.406 4.746 4.340 -0.000 0.000 0.228 292 R C -0.454 175.838 176.300 -0.013 0.000 1.312 292 R CA -0.961 55.069 56.100 -0.117 0.000 1.093 292 R CB 0.257 30.281 30.300 -0.460 0.000 1.583 292 R HN 0.501 nan 8.270 nan 0.000 0.535 293 E N 1.386 121.609 120.200 0.039 0.000 2.360 293 E HA -0.024 4.326 4.350 -0.000 0.000 0.269 293 E C 0.661 177.329 176.600 0.113 0.000 1.022 293 E CA -0.115 56.374 56.400 0.149 0.000 0.887 293 E CB 0.791 30.691 29.700 0.333 0.000 0.990 293 E HN 0.279 nan 8.360 nan 0.000 0.426 294 K N 4.301 124.800 120.400 0.164 0.000 2.184 294 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 294 K C 1.621 178.334 176.600 0.189 0.000 1.048 294 K CA 2.316 58.706 56.287 0.173 0.000 0.931 294 K CB -0.253 32.358 32.500 0.186 0.000 0.718 294 K HN 0.825 nan 8.250 nan 0.000 0.465 295 W N -0.468 120.891 121.300 0.098 0.000 2.421 295 W HA -0.169 4.491 4.660 -0.000 0.000 0.270 295 W C 1.071 177.586 176.519 -0.006 0.000 1.233 295 W CA 1.008 58.366 57.345 0.022 0.000 1.226 295 W CB -0.872 28.553 29.460 -0.058 0.000 1.121 295 W HN 0.179 nan 8.180 nan 0.000 0.579 296 H N 1.232 119.914 119.070 -0.646 0.000 2.457 296 H HA -0.090 4.466 4.556 -0.000 0.000 0.294 296 H C 2.168 177.387 175.328 -0.181 0.000 1.064 296 H CA 1.890 57.543 56.048 -0.659 0.000 1.330 296 H CB -0.221 29.106 29.762 -0.725 0.000 1.395 296 H HN 0.375 nan 8.280 nan 0.000 0.541 297 Q N 0.723 120.565 119.800 0.071 0.000 2.173 297 Q HA -0.189 4.151 4.340 -0.000 0.000 0.208 297 Q C 2.088 178.258 176.000 0.284 0.000 0.989 297 Q CA 1.384 57.283 55.803 0.160 0.000 0.872 297 Q CB 0.006 28.891 28.738 0.245 0.000 0.909 297 Q HN 0.589 nan 8.270 nan 0.000 0.420 298 E N -0.232 120.129 120.200 0.270 0.000 2.017 298 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 298 E C 2.119 178.861 176.600 0.236 0.000 0.997 298 E CA 1.539 58.110 56.400 0.285 0.000 0.804 298 E CB -0.005 29.828 29.700 0.221 0.000 0.757 298 E HN 0.144 nan 8.360 nan 0.000 0.448 299 V N 1.867 121.878 119.914 0.162 0.000 2.278 299 V HA -0.327 3.793 4.120 -0.000 0.000 0.251 299 V C 2.428 178.570 176.094 0.080 0.000 1.062 299 V CA 1.722 64.090 62.300 0.113 0.000 1.038 299 V CB -0.675 31.192 31.823 0.073 0.000 0.646 299 V HN 0.303 nan 8.190 nan 0.000 0.447 300 L N -1.855 119.389 121.223 0.034 0.000 1.970 300 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 300 L C 2.514 179.369 176.870 -0.025 0.000 1.071 300 L CA 2.386 57.190 54.840 -0.059 0.000 0.751 300 L CB -0.654 41.303 42.059 -0.170 0.000 0.889 300 L HN 0.381 nan 8.230 nan 0.000 0.432 301 W N 0.542 121.861 121.300 0.031 0.000 2.318 301 W HA -0.224 4.435 4.660 -0.000 0.000 0.313 301 W C 2.684 179.217 176.519 0.024 0.000 1.221 301 W CA 1.023 58.385 57.345 0.029 0.000 1.266 301 W CB -0.470 29.008 29.460 0.029 0.000 1.150 301 W HN 0.211 nan 8.180 nan 0.000 0.496 302 N N 0.133 118.990 118.700 0.261 0.000 2.120 302 N HA -0.166 4.574 4.740 -0.000 0.000 0.188 302 N C 1.732 177.305 175.510 0.106 0.000 1.024 302 N CA 1.812 54.956 53.050 0.157 0.000 0.852 302 N CB -0.930 37.628 38.487 0.119 0.000 1.003 302 N HN 0.156 nan 8.380 nan 0.000 0.424 303 A N 1.248 124.115 122.820 0.077 0.000 1.908 303 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 303 A C 2.245 179.850 177.584 0.036 0.000 1.181 303 A CA 1.054 53.111 52.037 0.034 0.000 0.627 303 A CB -0.641 18.360 19.000 0.000 0.000 0.818 303 A HN 0.138 nan 8.150 nan 0.000 0.445 304 L N -0.287 120.966 121.223 0.049 0.000 2.056 304 L HA -0.103 4.236 4.340 -0.000 0.000 0.207 304 L C 2.380 179.308 176.870 0.097 0.000 1.078 304 L CA 2.401 57.275 54.840 0.057 0.000 0.749 304 L CB -0.624 41.461 42.059 0.045 0.000 0.901 304 L HN 0.539 nan 8.230 nan 0.000 0.433 305 K N -0.833 119.646 120.400 0.131 0.000 2.002 305 K HA -0.143 4.177 4.320 -0.000 0.000 0.209 305 K C 1.792 178.434 176.600 0.071 0.000 1.048 305 K CA 1.615 57.970 56.287 0.113 0.000 0.930 305 K CB -0.090 32.481 32.500 0.118 0.000 0.714 305 K HN 0.304 nan 8.250 nan 0.000 0.438 306 N N -0.934 117.801 118.700 0.058 0.000 2.412 306 N HA 0.007 4.747 4.740 -0.000 0.000 0.184 306 N C 0.525 176.048 175.510 0.022 0.000 1.101 306 N CA 1.035 54.106 53.050 0.035 0.000 0.881 306 N CB 1.090 39.594 38.487 0.029 0.000 0.969 306 N HN 0.538 nan 8.380 nan 0.000 0.459 307 G N 0.951 109.767 108.800 0.027 0.000 2.179 307 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 307 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 307 G C 1.007 175.903 174.900 -0.007 0.000 0.990 307 G CA 0.068 45.178 45.100 0.017 0.000 0.646 307 G HN 0.256 nan 8.290 nan 0.000 0.517 308 Q N -0.131 119.661 119.800 -0.014 0.000 2.124 308 Q HA 0.108 4.447 4.340 -0.000 0.000 0.202 308 Q C 1.500 177.474 176.000 -0.042 0.000 0.977 308 Q CA 1.066 56.845 55.803 -0.040 0.000 0.850 308 Q CB -0.035 28.686 28.738 -0.030 0.000 0.901 308 Q HN 0.646 nan 8.270 nan 0.000 0.429 309 L N 1.953 123.163 121.223 -0.021 0.000 2.334 309 L HA 0.231 4.571 4.340 -0.000 0.000 0.276 309 L C 0.814 177.697 176.870 0.021 0.000 1.014 309 L CA -0.475 54.352 54.840 -0.022 0.000 0.815 309 L CB 1.682 43.711 42.059 -0.050 0.000 1.268 309 L HN 0.054 nan 8.230 nan 0.000 0.428 310 Q N 0.542 120.378 119.800 0.059 0.000 2.140 310 Q HA 0.180 4.520 4.340 -0.000 0.000 0.227 310 Q C -0.060 175.985 176.000 0.076 0.000 0.798 310 Q CA -0.084 55.780 55.803 0.101 0.000 0.987 310 Q CB 1.267 30.143 28.738 0.230 0.000 1.161 310 Q HN 0.690 nan 8.270 nan 0.000 0.480 311 T N -1.419 113.169 114.554 0.057 0.000 2.916 311 T HA 0.659 5.009 4.350 -0.000 0.000 0.305 311 T C -1.218 173.512 174.700 0.050 0.000 1.119 311 T CA -0.843 61.303 62.100 0.077 0.000 1.008 311 T CB 2.048 71.037 68.868 0.201 0.000 1.129 311 T HN 0.078 nan 8.240 nan 0.000 0.480 312 L N 2.190 123.436 121.223 0.038 0.000 2.319 312 L HA 0.829 5.169 4.340 -0.000 0.000 0.281 312 L C 0.180 177.085 176.870 0.059 0.000 1.005 312 L CA 0.098 54.951 54.840 0.021 0.000 0.828 312 L CB 1.063 43.105 42.059 -0.027 0.000 1.227 312 L HN 1.135 nan 8.230 nan 0.000 0.415 313 G N 1.471 110.331 108.800 0.100 0.000 2.568 313 G HA2 0.458 4.418 3.960 -0.000 0.000 0.313 313 G HA3 0.458 4.418 3.960 -0.000 0.000 0.313 313 G C 0.282 175.213 174.900 0.050 0.000 1.227 313 G CA 0.135 45.313 45.100 0.131 0.000 0.979 313 G HN 0.701 nan 8.290 nan 0.000 0.486 314 S N -0.937 114.774 115.700 0.018 0.000 2.427 314 S HA 0.057 4.527 4.470 -0.000 0.000 0.224 314 S C 0.970 175.456 174.600 -0.190 0.000 1.047 314 S CA 1.275 59.437 58.200 -0.064 0.000 0.953 314 S CB -0.012 63.165 63.200 -0.039 0.000 0.824 314 S HN 0.794 nan 8.310 nan 0.000 0.502 315 D N 0.668 120.899 120.400 -0.281 0.000 2.835 315 D HA -0.163 4.477 4.640 -0.000 0.000 0.230 315 D C -0.220 175.991 176.300 -0.150 0.000 1.130 315 D CA 0.901 54.577 54.000 -0.540 0.000 0.738 315 D CB -1.775 38.674 40.800 -0.585 0.000 1.090 315 D HN 0.696 nan 8.370 nan 0.000 0.433 316 Q N 0.507 120.262 119.800 -0.075 0.000 2.262 316 Q HA 0.237 4.577 4.340 -0.000 0.000 0.298 316 Q C -0.704 175.309 176.000 0.021 0.000 1.083 316 Q CA 0.462 56.232 55.803 -0.056 0.000 0.962 316 Q CB 0.565 29.266 28.738 -0.061 0.000 1.104 316 Q HN 0.389 nan 8.270 nan 0.000 0.376 317 C N 5.172 124.439 119.300 -0.055 0.000 3.166 317 C HA 0.391 4.851 4.460 -0.000 0.000 0.277 317 C C -0.606 174.156 174.990 -0.381 0.000 0.984 317 C CA 0.097 59.036 59.018 -0.132 0.000 1.142 317 C CB -0.767 26.994 27.740 0.034 0.000 1.721 317 C HN 0.956 nan 8.230 nan 0.000 0.628 318 S N 1.854 117.300 115.700 -0.423 0.000 2.564 318 S HA 0.778 5.248 4.470 -0.000 0.000 0.278 318 S C -0.909 173.311 174.600 -0.634 0.000 1.333 318 S CA 0.120 58.081 58.200 -0.398 0.000 1.048 318 S CB 0.609 63.650 63.200 -0.266 0.000 0.900 318 S HN 0.535 nan 8.310 nan 0.000 0.505 319 F N 0.001 120.014 119.950 0.104 0.000 2.630 319 F HA 0.296 4.822 4.527 -0.000 0.000 0.325 319 F C -0.250 175.698 175.800 0.246 0.000 1.184 319 F CA -1.145 56.943 58.000 0.147 0.000 1.011 319 F CB 1.403 40.494 39.000 0.152 0.000 1.268 319 F HN 0.489 nan 8.300 nan 0.000 0.480 320 D N 2.845 123.468 120.400 0.372 0.000 2.487 320 D HA -0.083 4.557 4.640 -0.000 0.000 0.243 320 D C 1.100 177.626 176.300 0.376 0.000 1.154 320 D CA 0.415 54.623 54.000 0.347 0.000 0.876 320 D CB 0.545 41.473 40.800 0.213 0.000 1.161 320 D HN 0.485 nan 8.370 nan 0.000 0.478 321 F N 4.361 124.466 119.950 0.259 0.000 2.202 321 F HA -0.188 4.339 4.527 -0.000 0.000 0.301 321 F C 1.677 177.527 175.800 0.083 0.000 1.082 321 F CA 1.378 59.399 58.000 0.035 0.000 1.313 321 F CB 0.095 38.973 39.000 -0.204 0.000 1.024 321 F HN 0.236 nan 8.300 nan 0.000 0.495 322 K N 0.020 120.414 120.400 -0.011 0.000 1.975 322 K HA -0.094 4.226 4.320 -0.000 0.000 0.224 322 K C 2.355 178.883 176.600 -0.121 0.000 1.038 322 K CA 1.457 57.672 56.287 -0.121 0.000 1.009 322 K CB -1.358 31.148 32.500 0.010 0.000 0.750 322 K HN 0.336 nan 8.250 nan 0.000 0.445 323 G N 0.550 109.335 108.800 -0.025 0.000 2.424 323 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.214 323 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.214 323 G C 1.481 176.370 174.900 -0.019 0.000 1.202 323 G CA 0.711 45.795 45.100 -0.027 0.000 0.793 323 G HN 0.284 nan 8.290 nan 0.000 0.534 324 Q N 0.166 119.991 119.800 0.042 0.000 1.921 324 Q HA -0.031 4.309 4.340 -0.000 0.000 0.208 324 Q C 2.720 178.712 176.000 -0.013 0.000 0.994 324 Q CA 1.489 57.312 55.803 0.033 0.000 0.857 324 Q CB -0.131 28.710 28.738 0.172 0.000 0.925 324 Q HN 0.085 nan 8.270 nan 0.000 0.421 325 K N 0.914 121.354 120.400 0.067 0.000 2.127 325 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 325 K C 1.758 178.470 176.600 0.186 0.000 1.047 325 K CA 1.451 57.800 56.287 0.104 0.000 0.927 325 K CB -0.289 32.347 32.500 0.228 0.000 0.716 325 K HN 0.401 nan 8.250 nan 0.000 0.450 326 E N 0.595 120.828 120.200 0.056 0.000 2.409 326 E HA -0.081 4.269 4.350 -0.000 0.000 0.198 326 E C 1.899 178.435 176.600 -0.107 0.000 1.024 326 E CA 0.133 56.487 56.400 -0.076 0.000 0.861 326 E CB -0.135 29.409 29.700 -0.261 0.000 0.788 326 E HN 0.273 nan 8.360 nan 0.000 0.521 327 L N 0.025 121.214 121.223 -0.057 0.000 2.189 327 L HA -0.134 4.206 4.340 -0.000 0.000 0.214 327 L C 1.629 178.466 176.870 -0.055 0.000 1.097 327 L CA 0.917 55.714 54.840 -0.073 0.000 0.764 327 L CB -0.252 41.758 42.059 -0.082 0.000 0.900 327 L HN 0.081 nan 8.230 nan 0.000 0.436 328 G N -1.006 107.806 108.800 0.021 0.000 4.477 328 G HA2 0.218 4.178 3.960 -0.000 0.000 0.319 328 G HA3 0.218 4.178 3.960 -0.000 0.000 0.319 328 G C 0.765 175.741 174.900 0.126 0.000 1.391 328 G CA -0.490 44.649 45.100 0.064 0.000 1.261 328 G HN -0.097 nan 8.290 nan 0.000 0.556 329 R N 1.506 121.941 120.500 -0.108 0.000 2.072 329 R HA 0.010 4.350 4.340 -0.000 0.000 0.221 329 R C 2.394 178.669 176.300 -0.042 0.000 1.166 329 R CA 1.306 57.230 56.100 -0.293 0.000 0.917 329 R CB -0.995 29.083 30.300 -0.370 0.000 0.815 329 R HN 0.340 nan 8.270 nan 0.000 0.444 330 G N 0.613 109.386 108.800 -0.046 0.000 3.210 330 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.220 330 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.220 330 G C -0.472 174.450 174.900 0.037 0.000 1.200 330 G CA 0.010 45.117 45.100 0.011 0.000 0.834 330 G HN 0.183 nan 8.290 nan 0.000 0.524 331 D N -0.411 120.021 120.400 0.052 0.000 2.470 331 D HA 0.097 4.737 4.640 -0.000 0.000 0.233 331 D C 1.089 177.404 176.300 0.025 0.000 1.372 331 D CA -0.836 53.154 54.000 -0.015 0.000 0.994 331 D CB 0.502 41.245 40.800 -0.096 0.000 1.377 331 D HN 0.035 nan 8.370 nan 0.000 0.586 332 F N 1.910 121.928 119.950 0.114 0.000 2.171 332 F HA -0.089 4.438 4.527 -0.000 0.000 0.300 332 F C 2.191 178.039 175.800 0.081 0.000 1.090 332 F CA 1.445 59.518 58.000 0.122 0.000 1.293 332 F CB -1.321 37.779 39.000 0.166 0.000 1.013 332 F HN 0.289 nan 8.300 nan 0.000 0.486 333 T N -1.918 112.187 114.554 -0.748 0.000 2.996 333 T HA -0.125 4.225 4.350 -0.000 0.000 0.271 333 T C 1.353 175.958 174.700 -0.158 0.000 1.126 333 T CA 1.278 63.136 62.100 -0.403 0.000 1.103 333 T CB -0.656 67.907 68.868 -0.509 0.000 0.870 333 T HN 0.524 nan 8.240 nan 0.000 0.528 334 K N 0.112 120.435 120.400 -0.128 0.000 2.358 334 K HA 0.368 4.688 4.320 -0.000 0.000 0.197 334 K C 0.037 176.600 176.600 -0.062 0.000 1.025 334 K CA -0.197 56.039 56.287 -0.085 0.000 1.104 334 K CB 0.322 32.773 32.500 -0.082 0.000 0.855 334 K HN 0.461 nan 8.250 nan 0.000 0.531 335 I N 4.380 124.933 120.570 -0.029 0.000 2.416 335 I HA 0.080 4.250 4.170 -0.000 0.000 0.288 335 I C -2.062 173.965 176.117 -0.149 0.000 1.051 335 I CA -2.234 59.041 61.300 -0.041 0.000 1.375 335 I CB 0.644 38.634 38.000 -0.016 0.000 1.407 335 I HN -0.155 nan 8.210 nan 0.000 0.516 336 P HA 0.043 nan 4.420 nan 0.000 0.271 336 P C -0.978 176.176 177.300 -0.244 0.000 1.233 336 P CA -0.029 62.767 63.100 -0.506 0.000 0.764 336 P CB 0.240 31.158 31.700 -1.304 0.000 0.825 337 N N 1.846 120.541 118.700 -0.009 0.000 2.497 337 N HA 0.434 5.174 4.740 -0.000 0.000 0.268 337 N C 0.445 176.232 175.510 0.461 0.000 1.171 337 N CA 0.164 53.337 53.050 0.205 0.000 0.948 337 N CB 0.412 39.049 38.487 0.251 0.000 1.069 337 N HN 0.637 nan 8.380 nan 0.000 0.460 338 G N -0.018 109.101 108.800 0.531 0.000 2.307 338 G HA2 0.351 4.311 3.960 -0.000 0.000 0.348 338 G HA3 0.351 4.311 3.960 -0.000 0.000 0.348 338 G C -1.107 174.100 174.900 0.512 0.000 1.603 338 G CA -0.762 44.626 45.100 0.479 0.000 0.961 338 G HN 0.725 nan 8.290 nan 0.000 0.686 339 G N 0.395 109.357 108.800 0.270 0.000 2.519 339 G HA2 0.868 4.828 3.960 -0.000 0.000 0.307 339 G HA3 0.868 4.828 3.960 -0.000 0.000 0.307 339 G C -2.800 172.042 174.900 -0.097 0.000 1.266 339 G CA -1.461 43.754 45.100 0.192 0.000 0.970 339 G HN 0.549 nan 8.290 nan 0.000 0.481 340 P HA 0.281 nan 4.420 nan 0.000 0.268 340 P C 0.075 177.271 177.300 -0.174 0.000 1.541 340 P CA -0.095 62.859 63.100 -0.244 0.000 1.093 340 P CB 0.489 31.952 31.700 -0.394 0.000 1.551 341 I N 2.432 122.929 120.570 -0.123 0.000 4.592 341 I HA 0.100 4.270 4.170 -0.000 0.000 0.329 341 I C 2.216 178.339 176.117 0.009 0.000 1.309 341 I CA -0.192 61.098 61.300 -0.015 0.000 1.243 341 I CB 0.207 38.156 38.000 -0.085 0.000 1.241 341 I HN 0.122 nan 8.210 nan 0.000 0.434 342 I N 1.746 122.292 120.570 -0.041 0.000 2.479 342 I HA -0.332 3.838 4.170 -0.000 0.000 0.258 342 I C 2.204 178.329 176.117 0.014 0.000 1.165 342 I CA 1.789 63.074 61.300 -0.024 0.000 1.422 342 I CB 0.174 38.141 38.000 -0.056 0.000 1.087 342 I HN 0.358 nan 8.210 nan 0.000 0.441 343 E N -0.012 120.208 120.200 0.034 0.000 2.216 343 E HA -0.128 4.222 4.350 -0.000 0.000 0.192 343 E C 0.928 177.604 176.600 0.126 0.000 0.973 343 E CA 0.628 57.078 56.400 0.083 0.000 0.851 343 E CB 0.237 29.989 29.700 0.086 0.000 0.804 343 E HN 0.521 nan 8.360 nan 0.000 0.477 344 D N 0.271 120.753 120.400 0.137 0.000 2.369 344 D HA -0.004 4.636 4.640 -0.000 0.000 0.211 344 D C 1.537 177.867 176.300 0.050 0.000 1.077 344 D CA -0.104 53.968 54.000 0.119 0.000 0.842 344 D CB 0.193 41.074 40.800 0.136 0.000 0.947 344 D HN 0.119 nan 8.370 nan 0.000 0.509 345 R N 1.323 121.856 120.500 0.054 0.000 2.132 345 R HA -0.183 4.157 4.340 -0.000 0.000 0.233 345 R C 1.962 178.297 176.300 0.058 0.000 1.125 345 R CA 1.804 57.919 56.100 0.025 0.000 0.914 345 R CB -0.455 29.857 30.300 0.020 0.000 0.845 345 R HN -0.076 nan 8.270 nan 0.000 0.431 346 V N 0.668 120.633 119.914 0.084 0.000 2.231 346 V HA -0.299 3.820 4.120 -0.000 0.000 0.248 346 V C 2.459 178.718 176.094 0.275 0.000 1.054 346 V CA 2.317 64.701 62.300 0.140 0.000 1.015 346 V CB -0.733 31.143 31.823 0.089 0.000 0.638 346 V HN 0.464 nan 8.190 nan 0.000 0.444 347 S N 0.001 115.860 115.700 0.265 0.000 2.359 347 S HA -0.216 4.254 4.470 -0.000 0.000 0.223 347 S C 1.884 176.658 174.600 0.290 0.000 1.039 347 S CA 2.109 60.522 58.200 0.355 0.000 1.042 347 S CB -0.511 62.878 63.200 0.315 0.000 0.915 347 S HN 0.512 nan 8.310 nan 0.000 0.439 348 I N 0.771 121.422 120.570 0.136 0.000 2.208 348 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 348 I C 2.342 178.554 176.117 0.159 0.000 1.097 348 I CA 0.997 62.330 61.300 0.055 0.000 1.363 348 I CB -0.338 37.559 38.000 -0.172 0.000 1.051 348 I HN 0.223 nan 8.210 nan 0.000 0.413 349 L N 0.180 121.534 121.223 0.219 0.000 2.093 349 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 349 L C 2.281 179.307 176.870 0.260 0.000 1.085 349 L CA 1.630 56.657 54.840 0.312 0.000 0.755 349 L CB -0.594 41.669 42.059 0.339 0.000 0.904 349 L HN 0.148 nan 8.230 nan 0.000 0.435 350 F N -0.889 119.061 119.950 0.000 0.000 2.075 350 F HA -0.202 4.325 4.527 -0.000 0.000 0.297 350 F C 2.730 178.460 175.800 -0.116 0.000 1.113 350 F CA 1.797 59.534 58.000 -0.439 0.000 1.218 350 F CB -0.727 37.922 39.000 -0.585 0.000 0.984 350 F HN 0.181 nan 8.300 nan 0.000 0.472 351 S N -0.041 115.693 115.700 0.058 0.000 2.349 351 S HA -0.186 4.284 4.470 -0.000 0.000 0.216 351 S C 2.068 176.616 174.600 -0.086 0.000 1.033 351 S CA 1.535 59.731 58.200 -0.007 0.000 1.021 351 S CB -0.557 62.730 63.200 0.145 0.000 0.968 351 S HN 0.441 nan 8.310 nan 0.000 0.426 352 E N 0.544 120.761 120.200 0.028 0.000 2.153 352 E HA 0.003 4.353 4.350 -0.000 0.000 0.194 352 E C 1.863 178.353 176.600 -0.182 0.000 0.988 352 E CA 1.091 57.498 56.400 0.011 0.000 0.811 352 E CB -0.937 28.918 29.700 0.258 0.000 0.746 352 E HN 0.606 nan 8.360 nan 0.000 0.466 353 G N 0.463 109.281 108.800 0.030 0.000 2.670 353 G HA2 -0.039 3.921 3.960 -0.000 0.000 0.219 353 G HA3 -0.039 3.921 3.960 -0.000 0.000 0.219 353 G C 1.701 176.488 174.900 -0.188 0.000 1.342 353 G CA 0.584 45.669 45.100 -0.026 0.000 0.902 353 G HN 0.117 nan 8.290 nan 0.000 0.553 354 V N 1.471 121.244 119.914 -0.235 0.000 2.217 354 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 354 V C 2.843 178.698 176.094 -0.399 0.000 1.050 354 V CA 2.294 64.373 62.300 -0.369 0.000 1.007 354 V CB -0.512 30.896 31.823 -0.693 0.000 0.639 354 V HN 0.203 nan 8.190 nan 0.000 0.452 355 K N 0.008 120.056 120.400 -0.587 0.000 2.293 355 K HA -0.180 4.140 4.320 -0.000 0.000 0.204 355 K C 1.785 178.247 176.600 -0.230 0.000 1.045 355 K CA 1.409 57.464 56.287 -0.387 0.000 0.933 355 K CB -0.298 31.977 32.500 -0.375 0.000 0.736 355 K HN 0.527 nan 8.250 nan 0.000 0.463 356 K N -1.226 119.028 120.400 -0.244 0.000 2.358 356 K HA 0.098 4.418 4.320 -0.000 0.000 0.200 356 K C 0.878 177.355 176.600 -0.205 0.000 1.030 356 K CA 0.482 56.642 56.287 -0.212 0.000 1.097 356 K CB 1.045 33.395 32.500 -0.249 0.000 0.862 356 K HN 0.261 nan 8.250 nan 0.000 0.534 357 G N 1.776 110.464 108.800 -0.187 0.000 2.259 357 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.217 357 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.217 357 G C 0.030 174.847 174.900 -0.139 0.000 1.001 357 G CA -0.499 44.515 45.100 -0.143 0.000 0.627 357 G HN 0.216 nan 8.290 nan 0.000 0.501 358 R N 0.258 120.629 120.500 -0.215 0.000 2.528 358 R HA 0.768 5.107 4.340 -0.000 0.000 0.271 358 R C 1.232 177.521 176.300 -0.017 0.000 1.056 358 R CA -0.013 56.001 56.100 -0.143 0.000 1.117 358 R CB 0.601 30.681 30.300 -0.367 0.000 1.085 358 R HN 0.554 nan 8.270 nan 0.000 0.530 359 I N -0.939 119.687 120.570 0.093 0.000 9.107 359 I HA -0.366 3.804 4.170 -0.000 0.000 0.126 359 I C -0.389 175.761 176.117 0.054 0.000 1.831 359 I CA 0.892 62.262 61.300 0.117 0.000 2.089 359 I CB -0.623 37.494 38.000 0.195 0.000 3.893 359 I HN 0.679 nan 8.210 nan 0.000 0.185 360 T N 2.854 117.453 114.554 0.074 0.000 2.930 360 T HA 0.424 4.774 4.350 -0.000 0.000 0.290 360 T C 0.468 175.217 174.700 0.082 0.000 1.052 360 T CA -0.617 61.515 62.100 0.054 0.000 1.017 360 T CB 1.956 70.859 68.868 0.057 0.000 1.137 360 T HN 0.525 nan 8.240 nan 0.000 0.511 361 L N 2.003 123.262 121.223 0.060 0.000 2.127 361 L HA -0.080 4.260 4.340 -0.000 0.000 0.211 361 L C 1.859 178.817 176.870 0.147 0.000 1.089 361 L CA 1.896 56.786 54.840 0.084 0.000 0.757 361 L CB -0.666 41.415 42.059 0.036 0.000 0.899 361 L HN 0.519 nan 8.230 nan 0.000 0.434 362 N N -1.133 117.631 118.700 0.107 0.000 2.251 362 N HA -0.126 4.614 4.740 -0.000 0.000 0.181 362 N C 1.720 177.271 175.510 0.068 0.000 1.019 362 N CA 1.057 54.161 53.050 0.089 0.000 0.862 362 N CB -0.147 38.384 38.487 0.074 0.000 0.992 362 N HN 0.536 nan 8.380 nan 0.000 0.429 363 Q N 0.190 120.039 119.800 0.081 0.000 2.135 363 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 363 Q C 1.835 177.875 176.000 0.066 0.000 0.981 363 Q CA 1.036 56.880 55.803 0.068 0.000 0.856 363 Q CB -0.267 28.523 28.738 0.087 0.000 0.902 363 Q HN 0.304 nan 8.270 nan 0.000 0.425 364 F N 1.149 121.068 119.950 -0.051 0.000 2.025 364 F HA -0.269 4.258 4.527 -0.000 0.000 0.297 364 F C 2.065 177.762 175.800 -0.171 0.000 1.132 364 F CA 1.515 59.454 58.000 -0.103 0.000 1.191 364 F CB -0.671 38.248 39.000 -0.135 0.000 0.963 364 F HN -0.207 nan 8.300 nan 0.000 0.481 365 V N 0.681 120.347 119.914 -0.413 0.000 2.392 365 V HA -0.340 3.780 4.120 -0.000 0.000 0.249 365 V C 2.135 178.043 176.094 -0.311 0.000 1.059 365 V CA 2.336 64.332 62.300 -0.508 0.000 1.051 365 V CB -0.956 30.752 31.823 -0.192 0.000 0.658 365 V HN 0.452 nan 8.190 nan 0.000 0.455 366 D N 0.080 120.381 120.400 -0.164 0.000 2.097 366 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 366 D C 1.933 178.162 176.300 -0.117 0.000 0.984 366 D CA 1.411 55.350 54.000 -0.103 0.000 0.826 366 D CB -0.172 40.601 40.800 -0.044 0.000 0.973 366 D HN 0.437 nan 8.370 nan 0.000 0.460 367 I N -0.296 120.201 120.570 -0.122 0.000 2.454 367 I HA -0.162 4.008 4.170 -0.000 0.000 0.254 367 I C 1.731 177.764 176.117 -0.140 0.000 1.156 367 I CA 0.508 61.753 61.300 -0.091 0.000 1.433 367 I CB 0.106 38.078 38.000 -0.046 0.000 1.082 367 I HN 0.025 nan 8.210 nan 0.000 0.432 368 V N -1.562 118.177 119.914 -0.291 0.000 3.565 368 V HA 0.041 4.161 4.120 -0.000 0.000 0.260 368 V C 1.647 177.603 176.094 -0.229 0.000 1.231 368 V CA 0.944 63.063 62.300 -0.303 0.000 1.100 368 V CB 0.688 32.176 31.823 -0.559 0.000 0.807 368 V HN 0.351 nan 8.190 nan 0.000 0.454 369 S N -1.110 114.464 115.700 -0.210 0.000 4.207 369 S HA -0.010 4.460 4.470 -0.000 0.000 0.177 369 S C 1.891 176.465 174.600 -0.043 0.000 0.981 369 S CA 0.903 59.031 58.200 -0.121 0.000 1.097 369 S CB 0.095 63.209 63.200 -0.143 0.000 1.525 369 S HN 0.387 nan 8.310 nan 0.000 0.686 370 T N 2.937 117.472 114.554 -0.032 0.000 2.544 370 T HA -0.192 4.158 4.350 -0.000 0.000 0.264 370 T C 1.877 176.547 174.700 -0.051 0.000 1.096 370 T CA 2.146 64.256 62.100 0.016 0.000 1.181 370 T CB -0.614 68.252 68.868 -0.003 0.000 0.864 370 T HN 0.315 nan 8.240 nan 0.000 0.415 371 R N 0.939 121.389 120.500 -0.084 0.000 2.153 371 R HA -0.077 4.263 4.340 -0.000 0.000 0.252 371 R C 2.254 178.491 176.300 -0.105 0.000 1.158 371 R CA 1.498 57.530 56.100 -0.113 0.000 0.975 371 R CB -0.945 29.320 30.300 -0.059 0.000 0.871 371 R HN 0.569 nan 8.270 nan 0.000 0.450 372 I N -0.496 120.070 120.570 -0.006 0.000 2.163 372 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 372 I C 2.332 178.524 176.117 0.126 0.000 1.081 372 I CA 1.218 62.587 61.300 0.115 0.000 1.353 372 I CB -0.531 37.545 38.000 0.127 0.000 1.054 372 I HN 0.299 nan 8.210 nan 0.000 0.407 373 A N 1.134 124.000 122.820 0.076 0.000 1.917 373 A HA -0.257 4.063 4.320 -0.000 0.000 0.219 373 A C 2.325 179.950 177.584 0.067 0.000 1.182 373 A CA 1.853 53.951 52.037 0.101 0.000 0.633 373 A CB -0.519 18.586 19.000 0.175 0.000 0.819 373 A HN 0.345 nan 8.150 nan 0.000 0.448 374 K N -0.493 119.879 120.400 -0.046 0.000 1.985 374 K HA -0.040 4.279 4.320 -0.000 0.000 0.210 374 K C 1.937 178.368 176.600 -0.281 0.000 1.047 374 K CA 1.419 57.592 56.287 -0.191 0.000 0.932 374 K CB -0.554 31.729 32.500 -0.363 0.000 0.716 374 K HN 0.467 nan 8.250 nan 0.000 0.439 375 L N 0.022 120.996 121.223 -0.416 0.000 2.187 375 L HA -0.160 4.180 4.340 -0.000 0.000 0.213 375 L C 1.395 177.847 176.870 -0.697 0.000 1.100 375 L CA 1.184 55.615 54.840 -0.680 0.000 0.765 375 L CB -0.190 41.292 42.059 -0.963 0.000 0.904 375 L HN 0.104 nan 8.230 nan 0.000 0.437 376 F N -0.490 119.367 119.950 -0.155 0.000 2.684 376 F HA 0.332 4.859 4.527 -0.000 0.000 0.298 376 F C 1.424 177.164 175.800 -0.100 0.000 1.120 376 F CA -0.128 57.796 58.000 -0.126 0.000 1.332 376 F CB -0.028 38.872 39.000 -0.167 0.000 0.986 376 F HN 0.027 nan 8.300 nan 0.000 0.524 377 G N 1.401 110.203 108.800 0.004 0.000 2.350 377 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.298 377 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.298 377 G C 0.366 175.262 174.900 -0.006 0.000 1.037 377 G CA 0.421 45.519 45.100 -0.003 0.000 1.074 377 G HN 0.529 nan 8.290 nan 0.000 0.511 378 L N -1.523 119.712 121.223 0.020 0.000 3.086 378 L HA 0.427 4.767 4.340 -0.000 0.000 0.274 378 L C 0.748 177.620 176.870 0.005 0.000 1.184 378 L CA -0.548 54.280 54.840 -0.021 0.000 1.002 378 L CB 0.384 42.419 42.059 -0.040 0.000 1.383 378 L HN 0.316 nan 8.230 nan 0.000 0.582 379 F N 3.488 123.388 119.950 -0.082 0.000 2.394 379 F HA 0.401 4.928 4.527 -0.000 0.000 0.340 379 F C -1.476 174.281 175.800 -0.071 0.000 1.105 379 F CA -1.699 56.255 58.000 -0.075 0.000 1.124 379 F CB 1.200 40.151 39.000 -0.081 0.000 1.145 379 F HN -0.161 nan 8.300 nan 0.000 0.505 380 P HA 0.089 nan 4.420 nan 0.000 0.259 380 P C 0.463 177.417 177.300 -0.576 0.000 1.530 380 P CA 0.096 62.446 63.100 -1.250 0.000 1.022 380 P CB 0.280 31.241 31.700 -1.232 0.000 1.514 381 K N 0.772 120.979 120.400 -0.321 0.000 2.057 381 K HA -0.067 4.253 4.320 -0.000 0.000 0.207 381 K C 0.619 177.101 176.600 -0.197 0.000 1.049 381 K CA 1.053 57.211 56.287 -0.214 0.000 0.931 381 K CB 0.202 32.607 32.500 -0.160 0.000 0.714 381 K HN -0.002 nan 8.250 nan 0.000 0.440 382 K N -1.771 118.521 120.400 -0.181 0.000 2.346 382 K HA 0.304 4.624 4.320 -0.000 0.000 0.238 382 K C 0.361 176.915 176.600 -0.077 0.000 1.039 382 K CA -0.087 56.130 56.287 -0.116 0.000 0.861 382 K CB 1.453 33.904 32.500 -0.083 0.000 1.278 382 K HN 0.268 nan 8.250 nan 0.000 0.460 383 G N -0.149 108.645 108.800 -0.009 0.000 2.176 383 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.253 383 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.253 383 G C 0.179 175.156 174.900 0.130 0.000 0.979 383 G CA 0.855 46.011 45.100 0.092 0.000 0.641 383 G HN 0.744 nan 8.290 nan 0.000 0.530 384 T N -0.946 113.624 114.554 0.026 0.000 2.786 384 T HA 0.557 4.907 4.350 -0.000 0.000 0.316 384 T C -1.325 173.381 174.700 0.011 0.000 1.503 384 T CA -0.442 61.695 62.100 0.061 0.000 1.019 384 T CB 1.152 70.099 68.868 0.132 0.000 1.415 384 T HN 0.585 nan 8.240 nan 0.000 0.496 385 I N 3.459 124.063 120.570 0.057 0.000 2.442 385 I HA 0.545 4.715 4.170 -0.000 0.000 0.279 385 I C -0.886 175.272 176.117 0.068 0.000 1.081 385 I CA -0.486 60.844 61.300 0.050 0.000 1.197 385 I CB 0.826 38.869 38.000 0.071 0.000 1.394 385 I HN 0.261 nan 8.210 nan 0.000 0.488 386 V N 4.678 124.602 119.914 0.017 0.000 3.120 386 V HA 0.262 4.382 4.120 -0.000 0.000 0.303 386 V C 0.086 176.170 176.094 -0.015 0.000 1.238 386 V CA -0.991 61.320 62.300 0.018 0.000 1.008 386 V CB 2.333 34.160 31.823 0.006 0.000 1.064 386 V HN 0.146 nan 8.190 nan 0.000 0.434 387 V N 3.240 123.153 119.914 -0.003 0.000 2.583 387 V HA 0.324 4.443 4.120 -0.000 0.000 0.302 387 V C 1.555 177.625 176.094 -0.039 0.000 1.033 387 V CA 2.185 64.476 62.300 -0.014 0.000 1.194 387 V CB -0.364 31.455 31.823 -0.007 0.000 0.879 387 V HN 1.566 nan 8.190 nan 0.000 0.482 388 G N 3.797 112.569 108.800 -0.046 0.000 2.284 388 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.216 388 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.216 388 G C 0.385 175.230 174.900 -0.092 0.000 1.009 388 G CA 0.064 45.125 45.100 -0.064 0.000 0.625 388 G HN 0.776 nan 8.290 nan 0.000 0.501 389 S N 1.749 117.384 115.700 -0.109 0.000 2.592 389 S HA 0.480 4.950 4.470 -0.000 0.000 0.271 389 S C -0.009 174.530 174.600 -0.102 0.000 1.326 389 S CA -0.401 57.714 58.200 -0.142 0.000 1.024 389 S CB 1.013 64.112 63.200 -0.170 0.000 0.921 389 S HN 0.378 nan 8.310 nan 0.000 0.527 390 D N 1.448 121.784 120.400 -0.107 0.000 2.449 390 D HA 0.240 4.880 4.640 -0.000 0.000 0.236 390 D C 0.253 176.514 176.300 -0.065 0.000 1.149 390 D CA 0.163 54.115 54.000 -0.080 0.000 0.878 390 D CB 0.357 41.106 40.800 -0.085 0.000 1.198 390 D HN 0.586 nan 8.370 nan 0.000 0.446 391 A N 2.098 124.888 122.820 -0.051 0.000 3.033 391 A HA 0.079 4.398 4.320 -0.000 0.000 0.250 391 A C -0.339 177.210 177.584 -0.059 0.000 1.633 391 A CA -0.326 51.678 52.037 -0.055 0.000 1.290 391 A CB -0.501 18.464 19.000 -0.058 0.000 1.048 391 A HN 0.275 nan 8.150 nan 0.000 0.648 392 D N 1.024 121.395 120.400 -0.048 0.000 2.422 392 D HA 0.497 5.136 4.640 -0.000 0.000 0.227 392 D C -0.145 176.135 176.300 -0.033 0.000 1.190 392 D CA 0.540 54.518 54.000 -0.038 0.000 0.905 392 D CB 0.485 41.265 40.800 -0.032 0.000 1.034 392 D HN 0.409 nan 8.370 nan 0.000 0.507 393 L N 1.028 122.220 121.223 -0.051 0.000 2.301 393 L HA 0.719 5.058 4.340 -0.000 0.000 0.264 393 L C -0.559 176.302 176.870 -0.015 0.000 1.016 393 L CA -1.291 53.529 54.840 -0.033 0.000 0.821 393 L CB 2.095 44.111 42.059 -0.071 0.000 1.346 393 L HN -0.103 nan 8.230 nan 0.000 0.429 394 V N 2.227 122.164 119.914 0.040 0.000 2.524 394 V HA 0.392 4.512 4.120 -0.000 0.000 0.297 394 V C -0.298 175.835 176.094 0.064 0.000 1.035 394 V CA -0.277 62.078 62.300 0.092 0.000 0.867 394 V CB 1.956 33.904 31.823 0.209 0.000 1.004 394 V HN 0.484 nan 8.190 nan 0.000 0.426 395 I N 5.509 126.111 120.570 0.054 0.000 2.291 395 I HA 0.344 4.514 4.170 -0.000 0.000 0.292 395 I C -0.577 175.598 176.117 0.097 0.000 1.064 395 I CA -0.017 61.298 61.300 0.025 0.000 1.269 395 I CB 0.448 38.459 38.000 0.018 0.000 1.418 395 I HN 0.454 nan 8.210 nan 0.000 0.485 396 F N 5.947 125.803 119.950 -0.156 0.000 2.422 396 F HA 0.345 4.872 4.527 -0.000 0.000 0.333 396 F C 0.185 175.896 175.800 -0.149 0.000 1.095 396 F CA -0.561 57.363 58.000 -0.126 0.000 1.038 396 F CB 1.178 40.085 39.000 -0.155 0.000 1.156 396 F HN 0.350 nan 8.300 nan 0.000 0.483 397 D N 7.239 127.284 120.400 -0.591 0.000 2.427 397 D HA 0.255 4.895 4.640 -0.000 0.000 0.226 397 D C -2.017 173.972 176.300 -0.517 0.000 1.076 397 D CA -2.179 51.569 54.000 -0.421 0.000 0.849 397 D CB 1.972 42.586 40.800 -0.310 0.000 1.052 397 D HN 0.266 nan 8.370 nan 0.000 0.515 398 P HA 0.006 nan 4.420 nan 0.000 0.242 398 P C 0.297 177.710 177.300 0.189 0.000 1.197 398 P CA 0.380 63.567 63.100 0.145 0.000 0.765 398 P CB 0.720 32.642 31.700 0.369 0.000 0.936 399 N N -0.259 118.452 118.700 0.019 0.000 2.397 399 N HA 0.119 4.859 4.740 -0.000 0.000 0.190 399 N C 0.975 176.491 175.510 0.010 0.000 1.099 399 N CA -0.147 52.924 53.050 0.035 0.000 0.876 399 N CB 0.204 38.692 38.487 0.002 0.000 1.143 399 N HN 0.183 nan 8.380 nan 0.000 0.468 400 I N 2.726 123.271 120.570 -0.042 0.000 2.845 400 I HA -0.127 4.043 4.170 -0.000 0.000 0.290 400 I C 0.394 176.513 176.117 0.003 0.000 1.202 400 I CA 0.875 62.154 61.300 -0.036 0.000 1.406 400 I CB 0.088 38.041 38.000 -0.077 0.000 1.383 400 I HN -0.096 nan 8.210 nan 0.000 0.549 401 E N 7.938 128.149 120.200 0.018 0.000 2.231 401 E HA 0.583 4.933 4.350 -0.000 0.000 0.277 401 E C -0.380 176.241 176.600 0.035 0.000 0.999 401 E CA -0.711 55.711 56.400 0.037 0.000 0.827 401 E CB 1.530 31.251 29.700 0.034 0.000 1.101 401 E HN 0.566 nan 8.360 nan 0.000 0.393 402 R N -0.425 120.105 120.500 0.050 0.000 0.000 402 R HA 0.638 4.978 4.340 -0.000 0.000 0.000 402 R C -1.586 174.752 176.300 0.064 0.000 0.000 402 R CA -0.871 55.260 56.100 0.051 0.000 0.000 402 R CB 0.857 31.188 30.300 0.052 0.000 0.000 402 R HN 0.225 nan 8.270 nan 0.000 0.000 403 V N 1.768 121.721 119.914 0.065 0.000 2.483 403 V HA 0.386 4.506 4.120 -0.000 0.000 0.297 403 V C 0.119 176.265 176.094 0.087 0.000 1.027 403 V CA -0.816 61.530 62.300 0.076 0.000 0.855 403 V CB 1.675 33.537 31.823 0.064 0.000 0.995 403 V HN 0.543 nan 8.190 nan 0.000 0.424 404 I N 4.018 124.659 120.570 0.119 0.000 2.598 404 I HA 0.273 4.443 4.170 -0.000 0.000 0.284 404 I C 0.555 176.741 176.117 0.116 0.000 1.140 404 I CA 0.997 62.383 61.300 0.144 0.000 1.420 404 I CB 0.863 38.992 38.000 0.215 0.000 1.387 404 I HN 0.679 nan 8.210 nan 0.000 0.553 405 S N 4.280 120.016 115.700 0.060 0.000 2.536 405 S HA 0.576 5.046 4.470 -0.000 0.000 0.271 405 S C 0.525 175.029 174.600 -0.160 0.000 1.134 405 S CA -0.219 57.974 58.200 -0.013 0.000 0.897 405 S CB 1.806 64.994 63.200 -0.019 0.000 1.094 405 S HN 0.677 nan 8.310 nan 0.000 0.473 406 A N 2.623 125.271 122.820 -0.286 0.000 2.125 406 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 406 A C 1.600 178.848 177.584 -0.560 0.000 1.156 406 A CA 1.776 53.331 52.037 -0.802 0.000 0.671 406 A CB -0.665 18.045 19.000 -0.485 0.000 0.794 406 A HN 0.864 nan 8.150 nan 0.000 0.459 407 E N -0.671 119.372 120.200 -0.262 0.000 2.418 407 E HA -0.052 4.298 4.350 -0.000 0.000 0.197 407 E C 1.388 177.885 176.600 -0.172 0.000 1.026 407 E CA 1.611 57.911 56.400 -0.166 0.000 0.862 407 E CB 0.001 29.648 29.700 -0.089 0.000 0.799 407 E HN 0.546 nan 8.360 nan 0.000 0.518 408 T N -1.655 112.781 114.554 -0.195 0.000 2.964 408 T HA 0.063 4.413 4.350 -0.000 0.000 0.250 408 T C 0.325 174.872 174.700 -0.255 0.000 0.982 408 T CA 0.015 62.002 62.100 -0.189 0.000 0.959 408 T CB -0.284 68.531 68.868 -0.088 0.000 1.141 408 T HN 0.438 nan 8.240 nan 0.000 0.494 409 H N 1.089 120.050 119.070 -0.181 0.000 2.913 409 H HA 0.101 4.657 4.556 -0.000 0.000 0.365 409 H C -0.082 175.061 175.328 -0.309 0.000 1.155 409 H CA -0.069 55.901 56.048 -0.130 0.000 1.417 409 H CB 0.401 30.154 29.762 -0.016 0.000 1.386 409 H HN 0.173 nan 8.280 nan 0.000 0.614 410 H N 1.369 120.397 119.070 -0.071 0.000 2.487 410 H HA 0.257 4.813 4.556 -0.000 0.000 0.290 410 H C -0.087 175.115 175.328 -0.210 0.000 1.081 410 H CA -0.324 55.614 56.048 -0.184 0.000 1.116 410 H CB -0.108 29.419 29.762 -0.391 0.000 1.560 410 H HN 0.466 nan 8.280 nan 0.000 0.548 411 M N -0.196 119.197 119.600 -0.344 0.000 2.342 411 M HA 0.399 4.879 4.480 -0.000 0.000 0.332 411 M C 1.067 177.205 176.300 -0.270 0.000 1.166 411 M CA -0.595 54.473 55.300 -0.387 0.000 1.086 411 M CB 1.471 33.711 32.600 -0.600 0.000 1.541 411 M HN 0.205 nan 8.290 nan 0.000 0.462 412 A N 1.708 124.437 122.820 -0.152 0.000 2.261 412 A HA 0.287 4.607 4.320 -0.000 0.000 0.208 412 A C 0.383 177.959 177.584 -0.012 0.000 1.223 412 A CA -0.191 51.813 52.037 -0.055 0.000 0.833 412 A CB -0.998 17.977 19.000 -0.043 0.000 0.830 412 A HN 0.608 nan 8.150 nan 0.000 0.483 413 V N -0.965 118.919 119.914 -0.050 0.000 2.686 413 V HA 0.269 4.389 4.120 -0.000 0.000 0.295 413 V C 0.749 176.948 176.094 0.175 0.000 1.057 413 V CA -0.177 62.139 62.300 0.026 0.000 1.012 413 V CB 1.050 32.795 31.823 -0.129 0.000 1.006 413 V HN 0.545 nan 8.190 nan 0.000 0.477 414 D N 0.511 121.041 120.400 0.216 0.000 2.363 414 D HA 0.077 4.717 4.640 -0.000 0.000 0.226 414 D C 0.091 176.567 176.300 0.293 0.000 1.020 414 D CA 0.490 54.632 54.000 0.236 0.000 0.892 414 D CB -0.346 40.599 40.800 0.241 0.000 0.900 414 D HN 0.795 nan 8.370 nan 0.000 0.531 415 Y N -2.466 117.921 120.300 0.146 0.000 2.705 415 Y HA 0.584 5.134 4.550 -0.000 0.000 0.332 415 Y C -1.917 174.073 175.900 0.149 0.000 1.221 415 Y CA -1.741 56.398 58.100 0.064 0.000 1.059 415 Y CB 0.888 39.339 38.460 -0.015 0.000 1.298 415 Y HN -0.168 nan 8.280 nan 0.000 0.459 416 N N 0.667 119.377 118.700 0.015 0.000 2.480 416 N HA 0.386 5.126 4.740 -0.000 0.000 0.289 416 N C 0.085 175.610 175.510 0.025 0.000 1.073 416 N CA 0.215 53.250 53.050 -0.025 0.000 0.885 416 N CB 2.316 40.886 38.487 0.139 0.000 1.421 416 N HN 1.105 nan 8.380 nan 0.000 0.503 417 A N 2.920 125.640 122.820 -0.167 0.000 2.139 417 A HA -0.091 4.228 4.320 -0.000 0.000 0.221 417 A C 0.432 177.866 177.584 -0.250 0.000 1.159 417 A CA 1.240 53.163 52.037 -0.190 0.000 0.662 417 A CB -0.558 18.223 19.000 -0.364 0.000 0.796 417 A HN 0.545 nan 8.150 nan 0.000 0.463 418 F N -0.251 119.831 119.950 0.220 0.000 2.850 418 F HA 0.340 4.867 4.527 -0.000 0.000 0.306 418 F C 0.439 176.342 175.800 0.172 0.000 1.162 418 F CA -1.260 56.852 58.000 0.187 0.000 1.327 418 F CB -0.257 38.823 39.000 0.132 0.000 0.953 418 F HN 0.075 nan 8.300 nan 0.000 0.507 419 E N 0.899 121.258 120.200 0.266 0.000 2.480 419 E HA 0.327 4.676 4.350 -0.000 0.000 0.258 419 E C 1.419 178.131 176.600 0.186 0.000 0.984 419 E CA 1.110 57.624 56.400 0.191 0.000 0.930 419 E CB 0.263 30.052 29.700 0.148 0.000 0.936 419 E HN 0.553 nan 8.360 nan 0.000 0.466 420 G N 3.870 112.756 108.800 0.143 0.000 2.234 420 G HA2 -0.367 3.593 3.960 -0.000 0.000 0.260 420 G HA3 -0.367 3.593 3.960 -0.000 0.000 0.260 420 G C 0.461 175.444 174.900 0.138 0.000 0.987 420 G CA 0.299 45.472 45.100 0.122 0.000 0.625 420 G HN 0.617 nan 8.290 nan 0.000 0.532 421 M N 1.623 121.333 119.600 0.183 0.000 2.246 421 M HA 0.363 4.843 4.480 -0.000 0.000 0.350 421 M C 0.726 177.103 176.300 0.128 0.000 1.406 421 M CA 0.025 55.430 55.300 0.175 0.000 1.089 421 M CB 0.423 33.160 32.600 0.228 0.000 1.782 421 M HN 0.195 nan 8.290 nan 0.000 0.457 422 K N 4.694 125.156 120.400 0.103 0.000 2.249 422 K HA 0.473 4.793 4.320 -0.000 0.000 0.280 422 K C -1.819 174.831 176.600 0.083 0.000 1.033 422 K CA -0.484 55.853 56.287 0.083 0.000 0.946 422 K CB 0.835 33.375 32.500 0.066 0.000 1.005 422 K HN 0.630 nan 8.250 nan 0.000 0.469 423 V N 2.809 122.775 119.914 0.087 0.000 2.841 423 V HA 0.262 4.381 4.120 -0.000 0.000 0.310 423 V C -0.661 175.502 176.094 0.115 0.000 1.090 423 V CA -0.874 61.488 62.300 0.103 0.000 0.930 423 V CB 2.358 34.252 31.823 0.118 0.000 1.014 423 V HN 0.873 nan 8.190 nan 0.000 0.425 424 T N 2.840 117.482 114.554 0.147 0.000 2.794 424 T HA 0.737 5.087 4.350 -0.000 0.000 0.280 424 T C 0.120 175.014 174.700 0.324 0.000 0.987 424 T CA 0.377 62.583 62.100 0.176 0.000 0.993 424 T CB 1.210 70.165 68.868 0.145 0.000 0.939 424 T HN 1.633 nan 8.240 nan 0.000 0.449 425 G N 2.226 111.134 108.800 0.179 0.000 2.788 425 G HA2 0.139 4.099 3.960 -0.000 0.000 0.686 425 G HA3 0.139 4.099 3.960 -0.000 0.000 0.686 425 G C -0.984 173.740 174.900 -0.293 0.000 1.147 425 G CA -0.631 44.443 45.100 -0.043 0.000 0.755 425 G HN 0.876 nan 8.290 nan 0.000 0.634 426 E N 2.164 121.804 120.200 -0.934 0.000 2.378 426 E HA 0.569 4.919 4.350 -0.000 0.000 0.283 426 E C -3.020 173.208 176.600 -0.620 0.000 0.979 426 E CA -2.006 54.087 56.400 -0.512 0.000 0.795 426 E CB 2.583 32.182 29.700 -0.169 0.000 1.221 426 E HN 0.350 nan 8.360 nan 0.000 0.428 427 P HA 0.033 nan 4.420 nan 0.000 0.271 427 P C -0.055 177.291 177.300 0.076 0.000 1.220 427 P CA -0.124 63.099 63.100 0.205 0.000 0.768 427 P CB 1.185 33.081 31.700 0.328 0.000 0.848 428 V N 1.491 121.437 119.914 0.052 0.000 2.690 428 V HA 0.084 4.204 4.120 -0.000 0.000 0.240 428 V C 0.653 176.794 176.094 0.079 0.000 1.078 428 V CA 1.225 63.551 62.300 0.043 0.000 1.102 428 V CB 0.070 31.893 31.823 0.001 0.000 0.800 428 V HN 0.433 nan 8.190 nan 0.000 0.479 429 S N -0.252 115.504 115.700 0.093 0.000 2.571 429 S HA 0.683 5.153 4.470 -0.000 0.000 0.284 429 S C -0.926 173.712 174.600 0.064 0.000 1.128 429 S CA -0.323 57.955 58.200 0.130 0.000 0.970 429 S CB 2.419 65.765 63.200 0.244 0.000 1.039 429 S HN 0.012 nan 8.310 nan 0.000 0.485 430 V N 4.890 124.818 119.914 0.024 0.000 2.443 430 V HA 0.517 4.637 4.120 -0.000 0.000 0.293 430 V C -0.628 175.406 176.094 -0.100 0.000 1.021 430 V CA -0.715 61.568 62.300 -0.029 0.000 0.848 430 V CB 1.049 32.859 31.823 -0.021 0.000 0.998 430 V HN 0.781 nan 8.190 nan 0.000 0.424 431 L N 2.571 123.682 121.223 -0.187 0.000 2.346 431 L HA 0.837 5.176 4.340 -0.000 0.000 0.276 431 L C -0.409 176.394 176.870 -0.112 0.000 1.006 431 L CA -0.439 54.253 54.840 -0.247 0.000 0.817 431 L CB 1.806 43.524 42.059 -0.569 0.000 1.272 431 L HN 0.620 nan 8.230 nan 0.000 0.421 432 C N 4.149 123.436 119.300 -0.021 0.000 2.264 432 C HA 0.515 4.975 4.460 -0.000 0.000 0.324 432 C C 0.894 175.971 174.990 0.144 0.000 1.267 432 C CA -0.263 58.807 59.018 0.086 0.000 1.618 432 C CB -0.200 27.665 27.740 0.208 0.000 2.278 432 C HN 1.041 nan 8.230 nan 0.000 0.499 433 R N 4.528 125.059 120.500 0.053 0.000 3.205 433 R HA -0.172 4.167 4.340 -0.000 0.000 0.249 433 R C 1.240 177.573 176.300 0.056 0.000 0.937 433 R CA 0.828 56.956 56.100 0.047 0.000 0.641 433 R CB -1.661 28.671 30.300 0.054 0.000 1.114 433 R HN 1.809 nan 8.270 nan 0.000 0.451 434 G N -0.807 107.977 108.800 -0.026 0.000 2.270 434 G HA2 -0.353 3.607 3.960 -0.000 0.000 0.268 434 G HA3 -0.353 3.607 3.960 -0.000 0.000 0.268 434 G C -0.008 174.841 174.900 -0.085 0.000 0.982 434 G CA 0.940 46.004 45.100 -0.060 0.000 0.628 434 G HN 0.441 nan 8.290 nan 0.000 0.544 435 E N 0.019 120.186 120.200 -0.056 0.000 2.175 435 E HA 0.583 4.933 4.350 -0.000 0.000 0.278 435 E C 0.005 176.497 176.600 -0.180 0.000 0.969 435 E CA -0.985 55.348 56.400 -0.111 0.000 0.796 435 E CB 0.701 30.254 29.700 -0.245 0.000 1.104 435 E HN 0.152 nan 8.360 nan 0.000 0.395 436 F N 1.208 121.051 119.950 -0.180 0.000 2.518 436 F HA -0.036 4.491 4.527 -0.000 0.000 0.359 436 F C 1.659 177.305 175.800 -0.255 0.000 1.118 436 F CA 0.124 58.017 58.000 -0.178 0.000 1.287 436 F CB 0.448 39.349 39.000 -0.165 0.000 1.132 436 F HN 0.213 nan 8.300 nan 0.000 0.587 437 V N 2.106 121.994 119.914 -0.044 0.000 3.484 437 V HA 0.151 4.271 4.120 -0.000 0.000 0.252 437 V C -0.231 175.780 176.094 -0.140 0.000 1.282 437 V CA 0.263 62.497 62.300 -0.109 0.000 1.104 437 V CB 0.843 32.659 31.823 -0.012 0.000 0.868 437 V HN 0.457 nan 8.190 nan 0.000 0.457 438 V N 1.587 121.443 119.914 -0.096 0.000 2.559 438 V HA 0.444 4.564 4.120 -0.000 0.000 0.289 438 V C -0.574 175.534 176.094 0.024 0.000 1.036 438 V CA -0.635 61.558 62.300 -0.178 0.000 0.887 438 V CB 2.075 33.626 31.823 -0.452 0.000 1.022 438 V HN 0.342 nan 8.190 nan 0.000 0.442 439 R N 3.542 124.047 120.500 0.009 0.000 2.445 439 R HA 0.398 4.737 4.340 -0.000 0.000 0.308 439 R C -0.626 175.671 176.300 -0.005 0.000 0.961 439 R CA -0.370 55.741 56.100 0.017 0.000 0.862 439 R CB 1.063 31.180 30.300 -0.306 0.000 1.144 439 R HN 0.805 nan 8.270 nan 0.000 0.447 440 D N 4.553 124.970 120.400 0.028 0.000 2.735 440 D HA -0.181 4.459 4.640 -0.000 0.000 0.235 440 D C -0.484 175.867 176.300 0.084 0.000 1.175 440 D CA 1.283 55.303 54.000 0.033 0.000 0.683 440 D CB -0.398 40.398 40.800 -0.007 0.000 1.008 440 D HN 0.806 nan 8.370 nan 0.000 0.416 441 K N -1.814 118.664 120.400 0.130 0.000 3.020 441 K HA -0.273 4.047 4.320 -0.000 0.000 0.266 441 K C 0.301 177.132 176.600 0.385 0.000 1.067 441 K CA 1.005 57.446 56.287 0.257 0.000 0.780 441 K CB -0.497 32.126 32.500 0.204 0.000 1.220 441 K HN 0.369 nan 8.250 nan 0.000 0.483 442 Q N 0.166 120.127 119.800 0.269 0.000 2.323 442 Q HA 0.284 4.624 4.340 -0.000 0.000 0.271 442 Q C -1.166 174.971 176.000 0.229 0.000 1.048 442 Q CA -0.757 55.232 55.803 0.310 0.000 0.792 442 Q CB 1.324 30.156 28.738 0.157 0.000 1.280 442 Q HN 0.134 nan 8.270 nan 0.000 0.441 443 F N 3.757 123.855 119.950 0.248 0.000 2.538 443 F HA 0.136 4.663 4.527 -0.000 0.000 0.371 443 F C 0.778 176.588 175.800 0.016 0.000 1.087 443 F CA 0.306 58.337 58.000 0.051 0.000 1.250 443 F CB 0.551 39.708 39.000 0.260 0.000 1.110 443 F HN 0.272 nan 8.300 nan 0.000 0.570 444 V N 3.582 122.963 119.914 -0.888 0.000 3.329 444 V HA 0.515 4.635 4.120 -0.000 0.000 0.317 444 V C 0.662 176.229 176.094 -0.879 0.000 1.495 444 V CA 0.372 62.236 62.300 -0.726 0.000 1.105 444 V CB -0.359 31.251 31.823 -0.355 0.000 0.985 444 V HN 0.898 nan 8.190 nan 0.000 0.475 445 G N 0.841 108.732 108.800 -1.515 0.000 2.510 445 G HA2 0.630 4.590 3.960 -0.000 0.000 0.280 445 G HA3 0.630 4.590 3.960 -0.000 0.000 0.280 445 G C -0.654 174.029 174.900 -0.362 0.000 1.386 445 G CA -0.785 43.900 45.100 -0.691 0.000 1.047 445 G HN 0.446 nan 8.290 nan 0.000 0.527 446 K N 1.127 121.551 120.400 0.039 0.000 2.581 446 K HA 0.279 4.599 4.320 -0.000 0.000 0.249 446 K C -2.839 173.911 176.600 0.249 0.000 0.966 446 K CA -1.571 54.812 56.287 0.159 0.000 0.811 446 K CB 3.013 35.556 32.500 0.071 0.000 1.223 446 K HN 0.286 nan 8.250 nan 0.000 0.438 447 P HA -0.076 nan 4.420 nan 0.000 0.261 447 P C 0.556 177.959 177.300 0.172 0.000 1.183 447 P CA 1.013 64.233 63.100 0.199 0.000 0.761 447 P CB 0.770 32.559 31.700 0.148 0.000 0.785 448 G N 2.966 111.874 108.800 0.180 0.000 2.284 448 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.201 448 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.201 448 G C 0.711 175.722 174.900 0.185 0.000 0.998 448 G CA 0.155 45.349 45.100 0.157 0.000 0.651 448 G HN 0.491 nan 8.290 nan 0.000 0.489 449 Y N 2.188 122.551 120.300 0.106 0.000 2.224 449 Y HA 0.307 4.857 4.550 -0.000 0.000 0.289 449 Y C 1.934 177.899 175.900 0.110 0.000 1.146 449 Y CA 1.702 59.855 58.100 0.090 0.000 1.182 449 Y CB -0.430 38.075 38.460 0.076 0.000 0.983 449 Y HN 0.439 nan 8.280 nan 0.000 0.524 450 G N 1.900 110.789 108.800 0.148 0.000 2.398 450 G HA2 0.338 4.298 3.960 -0.000 0.000 0.246 450 G HA3 0.338 4.298 3.960 -0.000 0.000 0.246 450 G C -1.000 174.004 174.900 0.173 0.000 1.289 450 G CA -0.426 44.754 45.100 0.134 0.000 0.869 450 G HN 0.520 nan 8.290 nan 0.000 0.543 451 Q N 1.314 121.124 119.800 0.016 0.000 2.387 451 Q HA 0.424 4.764 4.340 -0.000 0.000 0.273 451 Q C -1.060 174.677 176.000 -0.438 0.000 1.089 451 Q CA -1.142 54.622 55.803 -0.065 0.000 0.824 451 Q CB 1.882 30.534 28.738 -0.143 0.000 1.367 451 Q HN 0.539 nan 8.270 nan 0.000 0.443 452 Y N 1.919 121.817 120.300 -0.669 0.000 2.550 452 Y HA 0.268 4.818 4.550 -0.000 0.000 0.343 452 Y C -1.133 174.426 175.900 -0.568 0.000 1.245 452 Y CA 0.178 57.683 58.100 -0.991 0.000 1.462 452 Y CB 0.593 38.804 38.460 -0.416 0.000 1.340 452 Y HN 0.592 nan 8.280 nan 0.000 0.604 453 L N 6.517 126.838 121.223 -1.504 0.000 2.376 453 L HA 0.426 4.765 4.340 -0.000 0.000 0.275 453 L C -0.565 175.655 176.870 -1.083 0.000 0.987 453 L CA -0.948 53.305 54.840 -0.979 0.000 0.828 453 L CB 1.665 43.327 42.059 -0.661 0.000 1.249 453 L HN 0.549 nan 8.230 nan 0.000 0.409 454 K N 3.776 123.847 120.400 -0.548 0.000 2.234 454 K HA 0.485 4.805 4.320 -0.000 0.000 0.282 454 K C -0.519 175.949 176.600 -0.220 0.000 1.039 454 K CA -0.572 55.560 56.287 -0.259 0.000 0.928 454 K CB 1.451 33.919 32.500 -0.053 0.000 1.039 454 K HN 0.518 nan 8.250 nan 0.000 0.470 455 R N 0.948 121.354 120.500 -0.156 0.000 2.732 455 R HA 0.388 4.728 4.340 -0.000 0.000 0.278 455 R C -0.270 176.004 176.300 -0.043 0.000 0.976 455 R CA -0.802 55.232 56.100 -0.109 0.000 0.963 455 R CB 1.578 31.814 30.300 -0.107 0.000 1.150 455 R HN 0.663 nan 8.270 nan 0.000 0.478 456 A N 1.532 124.333 122.820 -0.032 0.000 2.536 456 A HA -0.046 4.274 4.320 -0.000 0.000 0.234 456 A C 0.504 178.100 177.584 0.020 0.000 1.076 456 A CA 0.240 52.271 52.037 -0.011 0.000 0.769 456 A CB 0.140 19.130 19.000 -0.017 0.000 1.020 456 A HN 0.798 nan 8.150 nan 0.000 0.508 457 K N 0.299 120.717 120.400 0.029 0.000 2.706 457 K HA 0.060 4.380 4.320 -0.000 0.000 0.217 457 K C -0.576 176.112 176.600 0.146 0.000 1.019 457 K CA 0.262 56.587 56.287 0.064 0.000 1.181 457 K CB -0.554 31.973 32.500 0.045 0.000 0.940 457 K HN 0.752 nan 8.250 nan 0.000 0.491 458 Y N -2.874 117.389 120.300 -0.063 0.000 4.644 458 Y HA -0.288 4.262 4.550 -0.000 0.000 0.241 458 Y C -0.048 175.812 175.900 -0.067 0.000 1.077 458 Y CA 0.756 58.802 58.100 -0.090 0.000 2.080 458 Y CB -1.341 37.070 38.460 -0.082 0.000 1.613 458 Y HN 0.239 nan 8.280 nan 0.000 0.686 459 G N -0.751 108.002 108.800 -0.078 0.000 3.217 459 G HA2 0.528 4.488 3.960 -0.000 0.000 0.213 459 G HA3 0.528 4.488 3.960 -0.000 0.000 0.213 459 G C 0.071 174.920 174.900 -0.085 0.000 1.294 459 G CA 0.013 45.056 45.100 -0.096 0.000 0.987 459 G HN 0.223 nan 8.290 nan 0.000 0.584 460 T N 0.000 114.522 114.554 -0.053 0.000 3.816 460 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 460 T CA 0.000 62.084 62.100 -0.027 0.000 1.349 460 T CB 0.000 68.859 68.868 -0.016 0.000 0.612 460 T HN 0.000 nan 8.240 nan 0.000 0.658