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 3abk_1_A DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.807 175.800 0.012 0.000 0.967 2 F CA 0.000 58.042 58.000 0.071 0.000 1.383 2 F CB 0.000 39.048 39.000 0.080 0.000 1.145 3 I N 1.682 122.259 120.570 0.011 0.000 2.163 3 I HA -0.303 3.867 4.170 -0.000 0.000 0.243 3 I C 1.699 177.439 176.117 -0.628 0.000 1.085 3 I CA 1.820 62.937 61.300 -0.305 0.000 1.347 3 I CB -0.476 37.321 38.000 -0.339 0.000 1.044 3 I HN 0.302 nan 8.210 nan 0.000 0.408 4 N N 0.609 119.031 118.700 -0.463 0.000 2.120 4 N HA -0.208 4.532 4.740 -0.000 0.000 0.188 4 N C 1.883 177.229 175.510 -0.272 0.000 1.024 4 N CA 1.231 54.087 53.050 -0.322 0.000 0.852 4 N CB -0.392 38.026 38.487 -0.114 0.000 1.003 4 N HN 0.314 nan 8.380 nan 0.000 0.424 5 R N -0.978 119.287 120.500 -0.392 0.000 2.062 5 R HA -0.052 4.288 4.340 -0.000 0.000 0.229 5 R C 1.367 177.234 176.300 -0.723 0.000 1.128 5 R CA 1.332 57.056 56.100 -0.626 0.000 0.960 5 R CB -0.131 29.635 30.300 -0.890 0.000 0.855 5 R HN 0.268 nan 8.270 nan 0.000 0.432 6 W N -1.361 119.714 121.300 -0.374 0.000 2.915 6 W HA 0.196 4.856 4.660 -0.000 0.000 0.276 6 W C 1.113 177.609 176.519 -0.038 0.000 1.215 6 W CA -0.582 56.566 57.345 -0.328 0.000 1.514 6 W CB 0.488 29.514 29.460 -0.723 0.000 1.017 6 W HN 0.070 nan 8.180 nan 0.000 0.598 7 L N -1.532 119.715 121.223 0.041 0.000 2.470 7 L HA 0.185 4.525 4.340 -0.000 0.000 0.219 7 L C 0.824 177.903 176.870 0.347 0.000 1.071 7 L CA 1.017 55.913 54.840 0.094 0.000 0.850 7 L CB -0.404 41.488 42.059 -0.278 0.000 1.040 7 L HN -0.155 nan 8.230 nan 0.000 0.475 8 F N -1.152 118.799 119.950 0.001 0.000 2.708 8 F HA 0.384 4.911 4.527 -0.000 0.000 0.300 8 F C 1.232 177.026 175.800 -0.010 0.000 1.118 8 F CA -1.092 56.900 58.000 -0.013 0.000 1.307 8 F CB -0.949 38.023 39.000 -0.047 0.000 0.986 8 F HN -0.188 nan 8.300 nan 0.000 0.522 9 S N 0.904 116.708 115.700 0.173 0.000 2.563 9 S HA 0.180 4.650 4.470 -0.000 0.000 0.284 9 S C 1.100 175.726 174.600 0.042 0.000 1.331 9 S CA 0.587 58.800 58.200 0.021 0.000 1.047 9 S CB 0.421 63.563 63.200 -0.095 0.000 0.859 9 S HN 0.462 nan 8.310 nan 0.000 0.514 10 T N 1.152 115.701 114.554 -0.009 0.000 3.393 10 T HA 0.311 4.661 4.350 -0.000 0.000 0.298 10 T C -0.224 174.417 174.700 -0.098 0.000 1.004 10 T CA -0.716 61.374 62.100 -0.017 0.000 0.956 10 T CB -0.519 68.361 68.868 0.019 0.000 1.182 10 T HN 0.543 nan 8.240 nan 0.000 0.497 11 N N 1.396 119.969 118.700 -0.212 0.000 2.392 11 N HA 0.152 4.892 4.740 -0.000 0.000 0.283 11 N C 1.042 176.298 175.510 -0.423 0.000 1.003 11 N CA -0.285 52.511 53.050 -0.424 0.000 0.892 11 N CB 1.461 39.456 38.487 -0.820 0.000 1.193 11 N HN 0.567 nan 8.380 nan 0.000 0.487 12 H N 3.103 121.930 119.070 -0.405 0.000 2.422 12 H HA -0.013 4.543 4.556 -0.000 0.000 0.298 12 H C 1.013 176.006 175.328 -0.558 0.000 1.098 12 H CA 1.447 57.270 56.048 -0.375 0.000 1.315 12 H CB 0.317 29.900 29.762 -0.298 0.000 1.382 12 H HN 0.491 nan 8.280 nan 0.000 0.523 13 K N -0.006 119.584 120.400 -1.351 0.000 2.098 13 K HA -0.049 4.271 4.320 -0.000 0.000 0.203 13 K C 1.578 177.462 176.600 -1.193 0.000 1.051 13 K CA 1.043 56.247 56.287 -1.805 0.000 0.957 13 K CB 0.218 31.557 32.500 -1.935 0.000 0.738 13 K HN 0.226 nan 8.250 nan 0.000 0.447 14 D N 1.214 121.159 120.400 -0.757 0.000 2.117 14 D HA -0.112 4.528 4.640 -0.000 0.000 0.197 14 D C 1.822 177.981 176.300 -0.235 0.000 0.987 14 D CA 0.977 54.744 54.000 -0.388 0.000 0.829 14 D CB -0.153 40.284 40.800 -0.604 0.000 0.961 14 D HN 0.100 nan 8.370 nan 0.000 0.460 15 I N 0.923 121.307 120.570 -0.310 0.000 2.163 15 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 15 I C 2.539 178.603 176.117 -0.088 0.000 1.085 15 I CA 1.509 62.675 61.300 -0.223 0.000 1.347 15 I CB -0.562 37.373 38.000 -0.108 0.000 1.044 15 I HN 0.046 nan 8.210 nan 0.000 0.408 16 G N -0.074 108.645 108.800 -0.135 0.000 2.469 16 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 16 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 16 G C 1.645 176.609 174.900 0.107 0.000 1.150 16 G CA 1.604 46.710 45.100 0.010 0.000 0.763 16 G HN 0.301 nan 8.290 nan 0.000 0.561 17 T N 1.151 115.742 114.554 0.063 0.000 2.708 17 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 17 T C 2.436 177.152 174.700 0.027 0.000 1.037 17 T CA 1.029 63.237 62.100 0.179 0.000 1.146 17 T CB -0.214 68.823 68.868 0.282 0.000 0.865 17 T HN 0.168 nan 8.240 nan 0.000 0.435 18 L N -0.623 120.501 121.223 -0.165 0.000 2.083 18 L HA -0.082 4.258 4.340 -0.000 0.000 0.209 18 L C 2.342 179.010 176.870 -0.338 0.000 1.083 18 L CA 1.320 55.867 54.840 -0.489 0.000 0.752 18 L CB -0.557 40.729 42.059 -1.288 0.000 0.899 18 L HN 0.267 nan 8.230 nan 0.000 0.433 19 Y N 0.080 120.267 120.300 -0.189 0.000 2.181 19 Y HA -0.233 4.317 4.550 -0.000 0.000 0.288 19 Y C 2.393 178.434 175.900 0.235 0.000 1.146 19 Y CA 1.351 59.559 58.100 0.180 0.000 1.164 19 Y CB -0.379 38.175 38.460 0.157 0.000 0.982 19 Y HN 0.048 nan 8.280 nan 0.000 0.515 20 L N -0.947 120.449 121.223 0.289 0.000 2.042 20 L HA -0.260 4.080 4.340 -0.000 0.000 0.210 20 L C 2.232 179.249 176.870 0.244 0.000 1.076 20 L CA 1.176 56.147 54.840 0.218 0.000 0.749 20 L CB -0.764 41.378 42.059 0.138 0.000 0.893 20 L HN 0.246 nan 8.230 nan 0.000 0.432 21 L N -1.375 119.977 121.223 0.215 0.000 2.005 21 L HA -0.232 4.108 4.340 -0.000 0.000 0.207 21 L C 2.574 179.613 176.870 0.282 0.000 1.072 21 L CA 1.325 56.283 54.840 0.196 0.000 0.744 21 L CB -0.587 41.525 42.059 0.089 0.000 0.895 21 L HN 0.136 nan 8.230 nan 0.000 0.433 22 F N 0.982 121.060 119.950 0.213 0.000 2.069 22 F HA -0.192 4.335 4.527 -0.000 0.000 0.298 22 F C 2.269 178.297 175.800 0.380 0.000 1.113 22 F CA 1.806 59.983 58.000 0.294 0.000 1.214 22 F CB -0.707 38.508 39.000 0.357 0.000 0.978 22 F HN 0.002 nan 8.300 nan 0.000 0.474 23 G N -0.490 108.629 108.800 0.531 0.000 2.442 23 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.219 23 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.219 23 G C 1.782 176.820 174.900 0.230 0.000 1.141 23 G CA 0.853 46.188 45.100 0.390 0.000 0.763 23 G HN 0.649 nan 8.290 nan 0.000 0.554 24 A N -0.168 122.776 122.820 0.207 0.000 1.902 24 A HA -0.049 4.271 4.320 -0.000 0.000 0.217 24 A C 2.162 179.839 177.584 0.154 0.000 1.181 24 A CA 1.570 53.683 52.037 0.127 0.000 0.623 24 A CB -0.695 18.361 19.000 0.094 0.000 0.818 24 A HN 0.539 nan 8.150 nan 0.000 0.443 25 W N 0.544 121.840 121.300 -0.007 0.000 2.388 25 W HA -0.020 4.640 4.660 -0.000 0.000 0.294 25 W C 2.460 178.977 176.519 -0.004 0.000 1.212 25 W CA 1.773 59.099 57.345 -0.032 0.000 1.271 25 W CB -0.132 29.272 29.460 -0.093 0.000 1.126 25 W HN 0.358 nan 8.180 nan 0.000 0.535 26 A N 0.480 123.449 122.820 0.248 0.000 1.908 26 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 26 A C 2.232 179.877 177.584 0.100 0.000 1.181 26 A CA 2.037 54.211 52.037 0.230 0.000 0.627 26 A CB -1.682 17.437 19.000 0.198 0.000 0.818 26 A HN 0.395 nan 8.150 nan 0.000 0.445 27 G N -0.938 107.909 108.800 0.079 0.000 2.450 27 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.220 27 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.220 27 G C 1.446 176.344 174.900 -0.003 0.000 1.130 27 G CA 1.332 46.464 45.100 0.053 0.000 0.760 27 G HN 0.358 nan 8.290 nan 0.000 0.557 28 M N 0.492 120.038 119.600 -0.091 0.000 2.132 28 M HA 0.011 4.491 4.480 -0.000 0.000 0.263 28 M C 2.758 178.945 176.300 -0.188 0.000 1.065 28 M CA 0.653 55.852 55.300 -0.167 0.000 1.122 28 M CB -1.270 31.145 32.600 -0.308 0.000 1.365 28 M HN 0.112 nan 8.290 nan 0.000 0.411 29 V N 0.383 120.147 119.914 -0.250 0.000 2.343 29 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 29 V C 2.656 178.773 176.094 0.039 0.000 1.051 29 V CA 2.098 64.309 62.300 -0.147 0.000 1.036 29 V CB -1.748 30.024 31.823 -0.085 0.000 0.654 29 V HN 0.557 nan 8.190 nan 0.000 0.451 30 G N -0.636 108.221 108.800 0.095 0.000 2.402 30 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 30 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 30 G C 1.694 176.727 174.900 0.222 0.000 1.162 30 G CA 1.425 46.638 45.100 0.189 0.000 0.777 30 G HN 0.466 nan 8.290 nan 0.000 0.539 31 T N 1.641 116.266 114.554 0.119 0.000 2.746 31 T HA 0.021 4.371 4.350 -0.000 0.000 0.267 31 T C 2.813 177.535 174.700 0.037 0.000 1.039 31 T CA 1.477 63.630 62.100 0.088 0.000 1.142 31 T CB -0.324 68.569 68.868 0.043 0.000 0.866 31 T HN 0.359 nan 8.240 nan 0.000 0.444 32 A N 1.134 123.957 122.820 0.005 0.000 1.898 32 A HA 0.044 4.364 4.320 -0.000 0.000 0.216 32 A C 2.289 179.878 177.584 0.008 0.000 1.181 32 A CA 1.123 53.148 52.037 -0.019 0.000 0.620 32 A CB -0.818 18.152 19.000 -0.049 0.000 0.819 32 A HN 0.462 nan 8.150 nan 0.000 0.442 33 L N 0.408 121.659 121.223 0.046 0.000 2.046 33 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 33 L C 3.041 179.872 176.870 -0.064 0.000 1.077 33 L CA 1.680 56.547 54.840 0.046 0.000 0.747 33 L CB -0.487 41.664 42.059 0.153 0.000 0.896 33 L HN 0.612 nan 8.230 nan 0.000 0.432 34 S N -0.161 115.465 115.700 -0.123 0.000 2.402 34 S HA -0.134 4.336 4.470 -0.000 0.000 0.229 34 S C 1.942 176.482 174.600 -0.099 0.000 1.021 34 S CA 0.883 58.887 58.200 -0.327 0.000 0.974 34 S CB -0.537 62.553 63.200 -0.183 0.000 0.800 34 S HN 0.369 nan 8.310 nan 0.000 0.484 35 L N 0.439 121.651 121.223 -0.018 0.000 2.109 35 L HA 0.099 4.439 4.340 -0.000 0.000 0.207 35 L C 2.582 179.503 176.870 0.084 0.000 1.086 35 L CA 0.759 55.628 54.840 0.048 0.000 0.760 35 L CB -0.512 41.550 42.059 0.005 0.000 0.910 35 L HN 0.297 nan 8.230 nan 0.000 0.437 36 L N -0.393 120.861 121.223 0.051 0.000 2.042 36 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 36 L C 2.449 179.390 176.870 0.120 0.000 1.076 36 L CA 1.442 56.330 54.840 0.080 0.000 0.749 36 L CB -0.425 41.668 42.059 0.057 0.000 0.893 36 L HN 0.201 nan 8.230 nan 0.000 0.432 37 I N -0.742 119.869 120.570 0.068 0.000 2.127 37 I HA -0.298 3.872 4.170 -0.000 0.000 0.241 37 I C 2.686 178.934 176.117 0.218 0.000 1.075 37 I CA 1.347 62.744 61.300 0.163 0.000 1.334 37 I CB -0.324 37.682 38.000 0.009 0.000 1.040 37 I HN 0.213 nan 8.210 nan 0.000 0.405 38 R N 0.543 121.112 120.500 0.114 0.000 2.236 38 R HA 0.031 4.371 4.340 -0.000 0.000 0.208 38 R C 2.208 178.563 176.300 0.092 0.000 1.036 38 R CA 1.021 57.173 56.100 0.088 0.000 1.001 38 R CB -0.278 30.039 30.300 0.029 0.000 0.896 38 R HN 0.376 nan 8.270 nan 0.000 0.464 39 A N 1.310 124.208 122.820 0.129 0.000 1.855 39 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 39 A C 2.070 179.707 177.584 0.088 0.000 1.191 39 A CA 1.538 53.641 52.037 0.110 0.000 0.613 39 A CB -0.355 18.735 19.000 0.149 0.000 0.829 39 A HN 0.206 nan 8.150 nan 0.000 0.442 40 E N 0.314 120.592 120.200 0.129 0.000 2.097 40 E HA -0.171 4.179 4.350 -0.000 0.000 0.196 40 E C 1.535 178.162 176.600 0.046 0.000 1.000 40 E CA 1.615 58.072 56.400 0.094 0.000 0.804 40 E CB -0.392 29.422 29.700 0.190 0.000 0.740 40 E HN 0.578 nan 8.360 nan 0.000 0.454 41 L N -0.874 120.415 121.223 0.109 0.000 2.592 41 L HA 0.260 4.600 4.340 -0.000 0.000 0.227 41 L C 2.026 178.998 176.870 0.169 0.000 1.127 41 L CA 0.334 55.278 54.840 0.173 0.000 0.884 41 L CB 0.081 42.252 42.059 0.186 0.000 1.065 41 L HN 0.229 nan 8.230 nan 0.000 0.457 42 G N 0.233 109.077 108.800 0.073 0.000 2.598 42 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.215 42 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.215 42 G C 0.524 175.445 174.900 0.036 0.000 1.131 42 G CA 0.198 45.310 45.100 0.019 0.000 0.785 42 G HN 0.511 nan 8.290 nan 0.000 0.539 43 Q N -0.721 119.116 119.800 0.060 0.000 2.462 43 Q HA 0.534 4.874 4.340 -0.000 0.000 0.285 43 Q C -3.227 172.775 176.000 0.004 0.000 1.035 43 Q CA -2.237 53.601 55.803 0.058 0.000 0.799 43 Q CB 2.074 30.811 28.738 -0.003 0.000 1.452 43 Q HN -0.119 nan 8.270 nan 0.000 0.404 44 P HA 0.366 nan 4.420 nan 0.000 0.269 44 P C 0.267 177.445 177.300 -0.203 0.000 1.209 44 P CA 1.311 64.261 63.100 -0.250 0.000 0.776 44 P CB 0.649 32.287 31.700 -0.103 0.000 0.876 45 G N 0.117 108.761 108.800 -0.261 0.000 2.526 45 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.250 45 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.250 45 G C -0.940 173.861 174.900 -0.165 0.000 1.289 45 G CA -0.304 44.695 45.100 -0.169 0.000 0.947 45 G HN 0.731 nan 8.290 nan 0.000 0.517 46 T N -0.508 113.980 114.554 -0.111 0.000 2.859 46 T HA 0.585 4.935 4.350 -0.000 0.000 0.281 46 T C 1.089 175.757 174.700 -0.053 0.000 1.005 46 T CA 0.469 62.513 62.100 -0.094 0.000 1.025 46 T CB 1.367 70.190 68.868 -0.074 0.000 0.977 46 T HN 1.570 nan 8.240 nan 0.000 0.458 47 L N 4.910 126.115 121.223 -0.031 0.000 2.349 47 L HA 0.494 4.834 4.340 -0.000 0.000 0.200 47 L C 1.722 178.605 176.870 0.022 0.000 1.064 47 L CA 1.046 55.887 54.840 0.003 0.000 0.821 47 L CB -0.343 41.731 42.059 0.024 0.000 1.027 47 L HN 0.714 nan 8.230 nan 0.000 0.476 48 L N 0.209 121.456 121.223 0.040 0.000 2.395 48 L HA 0.219 4.559 4.340 -0.000 0.000 0.218 48 L C 1.576 178.469 176.870 0.038 0.000 1.130 48 L CA 0.679 55.554 54.840 0.058 0.000 0.826 48 L CB -0.917 41.206 42.059 0.106 0.000 0.941 48 L HN 0.576 nan 8.230 nan 0.000 0.451 49 G N 0.737 109.547 108.800 0.016 0.000 2.233 49 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.270 49 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.270 49 G C -0.031 174.879 174.900 0.017 0.000 1.011 49 G CA 0.765 45.868 45.100 0.005 0.000 0.762 49 G HN 0.467 nan 8.290 nan 0.000 0.511 50 D N -0.851 119.571 120.400 0.037 0.000 2.354 50 D HA 0.332 4.972 4.640 -0.000 0.000 0.230 50 D C 0.138 176.490 176.300 0.087 0.000 1.361 50 D CA -0.557 53.473 54.000 0.050 0.000 0.992 50 D CB 0.629 41.462 40.800 0.056 0.000 1.409 50 D HN -0.094 nan 8.370 nan 0.000 0.573 51 D N 1.572 122.016 120.400 0.073 0.000 2.348 51 D HA -0.072 4.568 4.640 -0.000 0.000 0.211 51 D C 1.649 178.045 176.300 0.160 0.000 0.998 51 D CA 0.584 54.656 54.000 0.120 0.000 0.873 51 D CB 0.468 41.290 40.800 0.038 0.000 0.925 51 D HN 0.373 nan 8.370 nan 0.000 0.524 52 Q N 0.339 120.204 119.800 0.109 0.000 2.119 52 Q HA -0.013 4.327 4.340 -0.000 0.000 0.201 52 Q C 1.746 177.826 176.000 0.133 0.000 0.972 52 Q CA 1.173 57.044 55.803 0.113 0.000 0.847 52 Q CB -0.170 28.611 28.738 0.072 0.000 0.903 52 Q HN 0.302 nan 8.270 nan 0.000 0.433 53 I N -0.385 120.261 120.570 0.127 0.000 2.286 53 I HA -0.221 3.949 4.170 -0.000 0.000 0.245 53 I C 1.940 178.137 176.117 0.133 0.000 1.104 53 I CA 1.066 62.437 61.300 0.118 0.000 1.397 53 I CB -0.355 37.708 38.000 0.106 0.000 1.072 53 I HN 0.282 nan 8.210 nan 0.000 0.417 54 Y N 2.472 122.813 120.300 0.068 0.000 2.114 54 Y HA -0.350 4.200 4.550 -0.000 0.000 0.282 54 Y C 2.386 178.344 175.900 0.096 0.000 1.165 54 Y CA 1.989 60.135 58.100 0.077 0.000 1.148 54 Y CB -0.258 38.242 38.460 0.065 0.000 0.972 54 Y HN 0.215 nan 8.280 nan 0.000 0.504 55 N N -0.110 118.655 118.700 0.108 0.000 2.166 55 N HA -0.168 4.572 4.740 -0.000 0.000 0.186 55 N C 1.957 177.471 175.510 0.007 0.000 1.019 55 N CA 1.635 54.715 53.050 0.050 0.000 0.856 55 N CB -0.773 37.807 38.487 0.154 0.000 0.993 55 N HN 0.323 nan 8.380 nan 0.000 0.426 56 V N 0.833 120.781 119.914 0.057 0.000 2.392 56 V HA -0.168 3.952 4.120 -0.000 0.000 0.249 56 V C 2.397 178.520 176.094 0.047 0.000 1.059 56 V CA 1.136 63.482 62.300 0.077 0.000 1.051 56 V CB -0.487 31.398 31.823 0.103 0.000 0.658 56 V HN 0.075 nan 8.190 nan 0.000 0.455 57 V N -0.448 119.454 119.914 -0.020 0.000 2.307 57 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 57 V C 2.428 178.489 176.094 -0.055 0.000 1.045 57 V CA 1.839 64.117 62.300 -0.037 0.000 1.024 57 V CB -0.357 31.412 31.823 -0.089 0.000 0.651 57 V HN 0.405 nan 8.190 nan 0.000 0.449 58 V N 0.059 119.855 119.914 -0.197 0.000 2.282 58 V HA -0.317 3.803 4.120 -0.000 0.000 0.249 58 V C 2.551 178.659 176.094 0.024 0.000 1.057 58 V CA 2.775 65.014 62.300 -0.101 0.000 1.032 58 V CB -1.090 30.628 31.823 -0.176 0.000 0.645 58 V HN 0.629 nan 8.190 nan 0.000 0.447 59 T N 0.214 114.769 114.554 0.001 0.000 2.701 59 T HA -0.111 4.239 4.350 -0.000 0.000 0.263 59 T C 2.083 176.780 174.700 -0.004 0.000 1.040 59 T CA 1.583 63.657 62.100 -0.044 0.000 1.147 59 T CB -0.483 68.399 68.868 0.022 0.000 0.865 59 T HN 0.569 nan 8.240 nan 0.000 0.426 60 A N 1.434 124.354 122.820 0.167 0.000 1.908 60 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 60 A C 2.018 179.735 177.584 0.221 0.000 1.181 60 A CA 2.391 54.597 52.037 0.283 0.000 0.627 60 A CB -1.060 18.096 19.000 0.260 0.000 0.818 60 A HN 0.713 nan 8.150 nan 0.000 0.445 61 H N 0.269 119.379 119.070 0.067 0.000 2.319 61 H HA -0.065 4.491 4.556 -0.000 0.000 0.297 61 H C 2.040 177.365 175.328 -0.006 0.000 1.097 61 H CA 2.404 58.481 56.048 0.048 0.000 1.285 61 H CB -0.407 29.374 29.762 0.031 0.000 1.368 61 H HN 0.364 nan 8.280 nan 0.000 0.495 62 A N -0.340 122.312 122.820 -0.279 0.000 1.897 62 A HA -0.020 4.300 4.320 -0.000 0.000 0.215 62 A C 2.149 179.526 177.584 -0.345 0.000 1.181 62 A CA 1.168 52.874 52.037 -0.552 0.000 0.620 62 A CB -0.899 17.713 19.000 -0.647 0.000 0.821 62 A HN 0.432 nan 8.150 nan 0.000 0.443 63 F N -0.161 119.772 119.950 -0.027 0.000 2.234 63 F HA -0.091 4.436 4.527 -0.000 0.000 0.299 63 F C 2.408 178.147 175.800 -0.101 0.000 1.087 63 F CA 0.969 59.006 58.000 0.063 0.000 1.340 63 F CB -0.656 38.386 39.000 0.070 0.000 1.031 63 F HN 0.023 nan 8.300 nan 0.000 0.500 64 V N -0.492 119.505 119.914 0.138 0.000 2.323 64 V HA -0.283 3.837 4.120 -0.000 0.000 0.244 64 V C 2.492 178.579 176.094 -0.011 0.000 1.041 64 V CA 1.368 63.733 62.300 0.109 0.000 1.025 64 V CB -0.483 31.472 31.823 0.220 0.000 0.656 64 V HN 0.182 nan 8.190 nan 0.000 0.451 65 M N -0.762 118.766 119.600 -0.119 0.000 2.080 65 M HA -0.134 4.346 4.480 -0.000 0.000 0.260 65 M C 2.143 178.319 176.300 -0.208 0.000 1.068 65 M CA 2.011 57.213 55.300 -0.164 0.000 1.109 65 M CB -0.990 31.426 32.600 -0.307 0.000 1.342 65 M HN 0.275 nan 8.290 nan 0.000 0.405 66 I N -1.288 119.077 120.570 -0.341 0.000 2.206 66 I HA -0.241 3.929 4.170 -0.000 0.000 0.239 66 I C 2.052 177.875 176.117 -0.490 0.000 1.078 66 I CA 1.185 62.180 61.300 -0.509 0.000 1.367 66 I CB -0.322 37.184 38.000 -0.824 0.000 1.078 66 I HN 0.043 nan 8.210 nan 0.000 0.413 67 F N -0.524 119.241 119.950 -0.309 0.000 2.416 67 F HA -0.017 4.510 4.527 -0.000 0.000 0.296 67 F C 1.708 177.349 175.800 -0.265 0.000 1.099 67 F CA 0.941 58.712 58.000 -0.381 0.000 1.427 67 F CB -0.089 38.461 39.000 -0.751 0.000 1.079 67 F HN -0.044 nan 8.300 nan 0.000 0.536 68 F N -2.545 117.510 119.950 0.175 0.000 2.727 68 F HA 0.196 4.723 4.527 -0.000 0.000 0.302 68 F C 1.917 177.849 175.800 0.220 0.000 1.107 68 F CA 0.025 58.149 58.000 0.208 0.000 1.277 68 F CB -0.358 38.491 39.000 -0.253 0.000 1.079 68 F HN -0.113 nan 8.300 nan 0.000 0.594 69 M N -0.542 119.198 119.600 0.233 0.000 2.755 69 M HA 0.076 4.556 4.480 -0.000 0.000 0.247 69 M C 2.008 178.401 176.300 0.156 0.000 1.275 69 M CA 1.155 56.569 55.300 0.190 0.000 1.252 69 M CB -0.333 32.331 32.600 0.107 0.000 1.215 69 M HN -0.066 nan 8.290 nan 0.000 0.527 70 V N 1.388 121.331 119.914 0.049 0.000 2.283 70 V HA -0.273 3.847 4.120 -0.000 0.000 0.243 70 V C 2.480 178.607 176.094 0.056 0.000 1.039 70 V CA 1.817 64.135 62.300 0.030 0.000 1.016 70 V CB -0.721 31.058 31.823 -0.074 0.000 0.650 70 V HN 0.477 nan 8.190 nan 0.000 0.449 71 M N -0.291 119.316 119.600 0.012 0.000 2.117 71 M HA -0.100 4.380 4.480 -0.000 0.000 0.262 71 M C -0.147 176.218 176.300 0.108 0.000 1.065 71 M CA 2.225 57.543 55.300 0.030 0.000 1.114 71 M CB -1.578 31.021 32.600 -0.002 0.000 1.361 71 M HN 0.288 nan 8.290 nan 0.000 0.408 72 P HA -0.088 nan 4.420 nan 0.000 0.215 72 P C 1.480 178.928 177.300 0.247 0.000 1.157 72 P CA 1.279 64.572 63.100 0.322 0.000 0.863 72 P CB -0.110 31.968 31.700 0.630 0.000 0.787 73 I N -1.855 118.887 120.570 0.285 0.000 2.127 73 I HA -0.273 3.897 4.170 -0.000 0.000 0.241 73 I C 2.471 178.773 176.117 0.308 0.000 1.075 73 I CA 1.837 63.299 61.300 0.270 0.000 1.334 73 I CB -0.437 37.741 38.000 0.296 0.000 1.040 73 I HN -0.058 nan 8.210 nan 0.000 0.405 74 M N -0.335 119.436 119.600 0.284 0.000 2.160 74 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 74 M C 2.179 178.621 176.300 0.237 0.000 1.073 74 M CA 1.877 57.387 55.300 0.350 0.000 1.142 74 M CB 0.046 32.759 32.600 0.187 0.000 1.358 74 M HN 0.149 nan 8.290 nan 0.000 0.422 75 I N -1.474 119.121 120.570 0.042 0.000 2.685 75 I HA 0.030 4.200 4.170 -0.000 0.000 0.251 75 I C 2.476 178.508 176.117 -0.142 0.000 1.102 75 I CA 0.846 62.070 61.300 -0.125 0.000 1.442 75 I CB -0.718 37.197 38.000 -0.141 0.000 1.194 75 I HN 0.267 nan 8.210 nan 0.000 0.448 76 G N 0.431 109.008 108.800 -0.371 0.000 2.408 76 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.217 76 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.217 76 G C 1.517 176.131 174.900 -0.476 0.000 1.150 76 G CA 0.957 45.336 45.100 -1.203 0.000 0.776 76 G HN 0.488 nan 8.290 nan 0.000 0.542 77 G N 0.139 108.878 108.800 -0.102 0.000 2.724 77 G HA2 0.175 4.135 3.960 -0.000 0.000 0.217 77 G HA3 0.175 4.135 3.960 -0.000 0.000 0.217 77 G C 1.445 176.329 174.900 -0.026 0.000 1.251 77 G CA 0.196 45.295 45.100 -0.002 0.000 0.867 77 G HN 0.249 nan 8.290 nan 0.000 0.590 78 F N 1.929 121.966 119.950 0.146 0.000 2.171 78 F HA 0.058 4.585 4.527 -0.000 0.000 0.300 78 F C 2.891 178.812 175.800 0.203 0.000 1.090 78 F CA 0.968 59.033 58.000 0.108 0.000 1.293 78 F CB -0.346 38.654 39.000 -0.000 0.000 1.013 78 F HN 0.233 nan 8.300 nan 0.000 0.486 79 G N 0.019 109.046 108.800 0.378 0.000 2.433 79 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.216 79 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.216 79 G C 1.413 176.598 174.900 0.474 0.000 1.186 79 G CA 1.304 46.548 45.100 0.239 0.000 0.779 79 G HN 0.326 nan 8.290 nan 0.000 0.543 80 N N -0.576 118.403 118.700 0.465 0.000 2.120 80 N HA -0.115 4.625 4.740 -0.000 0.000 0.188 80 N C 1.875 177.533 175.510 0.247 0.000 1.024 80 N CA 1.212 54.445 53.050 0.306 0.000 0.852 80 N CB -0.204 38.358 38.487 0.125 0.000 1.003 80 N HN 0.561 nan 8.380 nan 0.000 0.424 81 W N 0.895 122.195 121.300 0.000 0.000 2.355 81 W HA -0.008 4.652 4.660 -0.000 0.000 0.309 81 W C 1.686 178.244 176.519 0.065 0.000 1.206 81 W CA 0.846 58.132 57.345 -0.100 0.000 1.284 81 W CB -0.172 28.958 29.460 -0.551 0.000 1.145 81 W HN 0.048 nan 8.180 nan 0.000 0.502 82 L N -1.775 119.638 121.223 0.316 0.000 2.253 82 L HA -0.070 4.270 4.340 -0.000 0.000 0.205 82 L C 2.054 179.043 176.870 0.198 0.000 1.078 82 L CA 0.177 55.108 54.840 0.151 0.000 0.805 82 L CB -1.103 40.853 42.059 -0.171 0.000 0.963 82 L HN -0.222 nan 8.230 nan 0.000 0.459 83 V N 0.810 120.873 119.914 0.249 0.000 2.261 83 V HA -0.137 3.983 4.120 -0.000 0.000 0.246 83 V C -0.268 175.840 176.094 0.023 0.000 1.047 83 V CA 2.065 64.465 62.300 0.165 0.000 1.015 83 V CB -1.299 30.657 31.823 0.221 0.000 0.642 83 V HN 0.300 nan 8.190 nan 0.000 0.446 84 P HA -0.086 nan 4.420 nan 0.000 0.217 84 P C 1.895 179.089 177.300 -0.176 0.000 1.151 84 P CA 1.251 64.189 63.100 -0.270 0.000 0.828 84 P CB -0.040 31.242 31.700 -0.696 0.000 0.788 85 L N -1.916 119.323 121.223 0.027 0.000 2.083 85 L HA -0.139 4.201 4.340 -0.000 0.000 0.209 85 L C 2.414 179.345 176.870 0.102 0.000 1.083 85 L CA 1.567 56.547 54.840 0.234 0.000 0.752 85 L CB -0.795 41.469 42.059 0.342 0.000 0.899 85 L HN 0.002 nan 8.230 nan 0.000 0.433 86 M N -0.313 119.337 119.600 0.084 0.000 2.492 86 M HA -0.052 4.428 4.480 -0.000 0.000 0.262 86 M C 1.736 178.042 176.300 0.010 0.000 1.090 86 M CA 1.158 56.525 55.300 0.111 0.000 1.110 86 M CB 0.117 32.830 32.600 0.188 0.000 1.407 86 M HN 0.337 nan 8.290 nan 0.000 0.470 87 I N -4.320 116.178 120.570 -0.120 0.000 4.025 87 I HA 0.450 4.620 4.170 -0.000 0.000 0.336 87 I C 0.908 176.798 176.117 -0.379 0.000 1.390 87 I CA 0.046 61.235 61.300 -0.184 0.000 1.099 87 I CB -0.240 37.664 38.000 -0.161 0.000 1.049 87 I HN 0.288 nan 8.210 nan 0.000 0.394 88 G N 2.077 110.446 108.800 -0.720 0.000 2.249 88 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.273 88 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.273 88 G C 0.295 174.563 174.900 -1.053 0.000 1.036 88 G CA 0.231 44.365 45.100 -1.610 0.000 0.824 88 G HN 0.945 nan 8.290 nan 0.000 0.504 89 A N 0.159 122.617 122.820 -0.603 0.000 2.304 89 A HA 0.839 5.159 4.320 -0.000 0.000 0.301 89 A C -0.176 177.324 177.584 -0.141 0.000 1.132 89 A CA -0.916 50.938 52.037 -0.304 0.000 0.819 89 A CB 1.115 19.951 19.000 -0.274 0.000 1.094 89 A HN 0.116 nan 8.150 nan 0.000 0.492 90 P HA 0.016 nan 4.420 nan 0.000 0.229 90 P C 0.003 177.300 177.300 -0.005 0.000 1.160 90 P CA 1.038 64.170 63.100 0.055 0.000 0.777 90 P CB 0.393 32.113 31.700 0.032 0.000 0.814 91 D N -2.583 117.722 120.400 -0.158 0.000 3.024 91 D HA 0.105 4.745 4.640 -0.000 0.000 0.354 91 D C -0.605 175.516 176.300 -0.299 0.000 1.431 91 D CA -0.493 53.383 54.000 -0.207 0.000 0.842 91 D CB 0.391 41.162 40.800 -0.049 0.000 1.437 91 D HN -0.333 nan 8.370 nan 0.000 0.507 92 M N 1.135 120.571 119.600 -0.273 0.000 2.226 92 M HA 0.280 4.760 4.480 -0.000 0.000 0.324 92 M C 1.403 177.502 176.300 -0.335 0.000 1.112 92 M CA 0.127 55.230 55.300 -0.329 0.000 1.176 92 M CB 0.353 32.751 32.600 -0.337 0.000 1.430 92 M HN 0.616 nan 8.290 nan 0.000 0.462 93 A N 1.823 124.347 122.820 -0.493 0.000 1.908 93 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 93 A C 0.594 177.783 177.584 -0.658 0.000 1.181 93 A CA 1.725 53.324 52.037 -0.729 0.000 0.627 93 A CB -0.354 17.883 19.000 -1.271 0.000 0.818 93 A HN 0.613 nan 8.150 nan 0.000 0.445 94 F N -0.802 119.082 119.950 -0.110 0.000 2.471 94 F HA 0.339 4.866 4.527 -0.000 0.000 0.318 94 F C -1.944 173.809 175.800 -0.077 0.000 1.308 94 F CA -2.777 55.175 58.000 -0.081 0.000 1.162 94 F CB 0.931 39.889 39.000 -0.070 0.000 1.383 94 F HN 0.080 nan 8.300 nan 0.000 0.552 95 P HA -0.107 nan 4.420 nan 0.000 0.229 95 P C 1.657 178.976 177.300 0.031 0.000 1.160 95 P CA 1.006 64.105 63.100 -0.002 0.000 0.777 95 P CB 0.404 32.090 31.700 -0.023 0.000 0.814 96 R N -0.418 120.116 120.500 0.058 0.000 2.090 96 R HA 0.134 4.474 4.340 -0.000 0.000 0.219 96 R C 2.404 178.745 176.300 0.068 0.000 1.100 96 R CA 0.529 56.661 56.100 0.052 0.000 0.991 96 R CB -0.597 29.721 30.300 0.030 0.000 0.893 96 R HN 0.012 nan 8.270 nan 0.000 0.443 97 M N 0.967 120.614 119.600 0.079 0.000 2.117 97 M HA -0.218 4.262 4.480 -0.000 0.000 0.262 97 M C 1.885 178.243 176.300 0.097 0.000 1.065 97 M CA 1.921 57.265 55.300 0.073 0.000 1.114 97 M CB -0.398 32.235 32.600 0.055 0.000 1.361 97 M HN 0.295 nan 8.290 nan 0.000 0.408 98 N N 0.078 118.832 118.700 0.091 0.000 2.132 98 N HA -0.277 4.463 4.740 -0.000 0.000 0.191 98 N C 1.393 176.988 175.510 0.142 0.000 1.015 98 N CA 1.826 54.924 53.050 0.080 0.000 0.864 98 N CB -0.163 38.326 38.487 0.004 0.000 1.006 98 N HN 0.426 nan 8.380 nan 0.000 0.430 99 N N 0.363 119.145 118.700 0.136 0.000 2.354 99 N HA -0.012 4.728 4.740 -0.000 0.000 0.179 99 N C 1.724 177.392 175.510 0.264 0.000 1.021 99 N CA 0.497 53.668 53.050 0.201 0.000 0.887 99 N CB -0.063 38.562 38.487 0.229 0.000 0.974 99 N HN 0.280 nan 8.380 nan 0.000 0.437 100 M N -0.550 119.164 119.600 0.190 0.000 2.175 100 M HA -0.068 4.412 4.480 -0.000 0.000 0.264 100 M C 1.716 178.083 176.300 0.112 0.000 1.063 100 M CA 1.018 56.418 55.300 0.166 0.000 1.119 100 M CB -0.006 32.653 32.600 0.098 0.000 1.377 100 M HN 0.056 nan 8.290 nan 0.000 0.415 101 S N 0.310 116.083 115.700 0.122 0.000 2.387 101 S HA -0.186 4.284 4.470 -0.000 0.000 0.230 101 S C 1.468 176.093 174.600 0.042 0.000 1.035 101 S CA 1.534 59.815 58.200 0.135 0.000 1.014 101 S CB -0.541 62.794 63.200 0.225 0.000 0.836 101 S HN 0.599 nan 8.310 nan 0.000 0.466 102 F N 0.580 120.436 119.950 -0.155 0.000 2.084 102 F HA -0.025 4.502 4.527 -0.000 0.000 0.296 102 F C 1.691 177.130 175.800 -0.601 0.000 1.111 102 F CA 1.070 58.632 58.000 -0.730 0.000 1.224 102 F CB -0.594 37.777 39.000 -1.048 0.000 0.991 102 F HN 0.211 nan 8.300 nan 0.000 0.471 103 W N 0.524 121.597 121.300 -0.378 0.000 2.525 103 W HA -0.011 4.649 4.660 -0.000 0.000 0.259 103 W C 2.004 178.316 176.519 -0.344 0.000 1.253 103 W CA 0.447 57.562 57.345 -0.382 0.000 1.262 103 W CB -0.331 29.093 29.460 -0.060 0.000 1.122 103 W HN 0.030 nan 8.180 nan 0.000 0.607 104 L N -0.165 120.992 121.223 -0.111 0.000 2.376 104 L HA -0.159 4.181 4.340 -0.000 0.000 0.219 104 L C 2.054 178.839 176.870 -0.142 0.000 1.133 104 L CA 0.665 55.469 54.840 -0.060 0.000 0.816 104 L CB -0.428 41.624 42.059 -0.012 0.000 0.933 104 L HN 0.093 nan 8.230 nan 0.000 0.449 105 L N -0.370 120.602 121.223 -0.418 0.000 2.072 105 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 105 L C -0.199 176.507 176.870 -0.274 0.000 1.079 105 L CA 1.090 55.652 54.840 -0.464 0.000 0.752 105 L CB -1.603 39.828 42.059 -1.046 0.000 0.906 105 L HN 0.204 nan 8.230 nan 0.000 0.436 106 P HA -0.092 nan 4.420 nan 0.000 0.216 106 P C -1.416 175.930 177.300 0.077 0.000 1.153 106 P CA 1.413 64.564 63.100 0.086 0.000 0.848 106 P CB -1.049 30.718 31.700 0.111 0.000 0.787 107 P HA -0.113 nan 4.420 nan 0.000 0.217 107 P C 1.884 179.235 177.300 0.084 0.000 1.150 107 P CA 1.596 64.731 63.100 0.059 0.000 0.832 107 P CB -0.443 31.284 31.700 0.044 0.000 0.787 108 S N -1.436 114.318 115.700 0.090 0.000 2.356 108 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 108 S C 1.807 176.521 174.600 0.191 0.000 1.032 108 S CA 0.876 59.180 58.200 0.173 0.000 1.005 108 S CB -1.133 62.234 63.200 0.279 0.000 0.867 108 S HN 0.055 nan 8.310 nan 0.000 0.449 109 F N 0.842 120.619 119.950 -0.290 0.000 2.171 109 F HA -0.099 4.428 4.527 -0.000 0.000 0.300 109 F C 2.017 177.761 175.800 -0.094 0.000 1.090 109 F CA 0.826 58.514 58.000 -0.519 0.000 1.293 109 F CB -0.053 38.572 39.000 -0.624 0.000 1.013 109 F HN 0.309 nan 8.300 nan 0.000 0.486 110 L N 0.671 121.992 121.223 0.163 0.000 2.056 110 L HA -0.175 4.165 4.340 -0.000 0.000 0.207 110 L C 1.942 178.891 176.870 0.131 0.000 1.078 110 L CA 1.633 56.526 54.840 0.088 0.000 0.749 110 L CB -0.831 41.259 42.059 0.051 0.000 0.901 110 L HN 0.125 nan 8.230 nan 0.000 0.433 111 L N -1.187 120.125 121.223 0.148 0.000 2.042 111 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 111 L C 2.500 179.475 176.870 0.174 0.000 1.076 111 L CA 1.312 56.244 54.840 0.153 0.000 0.749 111 L CB -0.744 41.411 42.059 0.160 0.000 0.893 111 L HN 0.351 nan 8.230 nan 0.000 0.432 112 L N -0.412 120.957 121.223 0.243 0.000 2.056 112 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 112 L C 2.345 179.376 176.870 0.269 0.000 1.078 112 L CA 1.570 56.570 54.840 0.267 0.000 0.749 112 L CB -0.316 42.010 42.059 0.444 0.000 0.901 112 L HN 0.090 nan 8.230 nan 0.000 0.433 113 L N -0.646 120.746 121.223 0.282 0.000 2.042 113 L HA -0.249 4.091 4.340 -0.000 0.000 0.210 113 L C 2.702 179.654 176.870 0.136 0.000 1.076 113 L CA 1.331 56.284 54.840 0.188 0.000 0.749 113 L CB -1.064 41.058 42.059 0.106 0.000 0.893 113 L HN 0.394 nan 8.230 nan 0.000 0.432 114 A N 0.337 123.231 122.820 0.123 0.000 1.883 114 A HA -0.256 4.064 4.320 -0.000 0.000 0.217 114 A C 2.537 180.186 177.584 0.109 0.000 1.186 114 A CA 2.170 54.269 52.037 0.103 0.000 0.624 114 A CB -0.864 18.193 19.000 0.095 0.000 0.822 114 A HN 0.548 nan 8.150 nan 0.000 0.444 115 S N 0.508 116.281 115.700 0.121 0.000 2.402 115 S HA -0.197 4.273 4.470 -0.000 0.000 0.233 115 S C 1.951 176.622 174.600 0.118 0.000 1.030 115 S CA 2.012 60.279 58.200 0.112 0.000 1.003 115 S CB -0.853 62.406 63.200 0.099 0.000 0.813 115 S HN 1.016 nan 8.310 nan 0.000 0.477 116 S N 0.369 116.147 115.700 0.130 0.000 2.501 116 S HA 0.240 4.710 4.470 -0.000 0.000 0.220 116 S C 1.786 176.447 174.600 0.103 0.000 0.997 116 S CA 0.182 58.458 58.200 0.125 0.000 0.919 116 S CB -0.288 62.996 63.200 0.141 0.000 0.778 116 S HN 0.362 nan 8.310 nan 0.000 0.523 117 M N 2.189 121.845 119.600 0.094 0.000 2.357 117 M HA 0.259 4.739 4.480 -0.000 0.000 0.266 117 M C 1.100 177.441 176.300 0.069 0.000 1.095 117 M CA 0.451 55.796 55.300 0.075 0.000 1.156 117 M CB -0.861 31.780 32.600 0.068 0.000 1.365 117 M HN 0.403 nan 8.290 nan 0.000 0.447 118 V N -0.503 119.456 119.914 0.075 0.000 2.834 118 V HA 0.299 4.419 4.120 -0.000 0.000 0.301 118 V C 0.923 177.061 176.094 0.073 0.000 1.066 118 V CA -0.916 61.426 62.300 0.069 0.000 1.052 118 V CB 0.935 32.801 31.823 0.071 0.000 1.021 118 V HN 0.551 nan 8.190 nan 0.000 0.480 119 E N 2.746 122.983 120.200 0.062 0.000 3.374 119 E HA -0.359 3.991 4.350 -0.000 0.000 0.375 119 E C 0.924 177.562 176.600 0.063 0.000 1.535 119 E CA 2.257 58.693 56.400 0.059 0.000 1.664 119 E CB -1.620 28.121 29.700 0.068 0.000 1.707 119 E HN 1.547 nan 8.360 nan 0.000 0.469 120 A N 1.445 124.309 122.820 0.073 0.000 2.589 120 A HA 0.527 4.847 4.320 -0.000 0.000 0.283 120 A C 0.807 178.460 177.584 0.116 0.000 1.187 120 A CA 1.484 53.566 52.037 0.075 0.000 0.957 120 A CB 0.325 19.350 19.000 0.042 0.000 1.175 120 A HN 1.381 nan 8.150 nan 0.000 0.532 121 G N -0.891 107.986 108.800 0.129 0.000 2.760 121 G HA2 0.348 4.308 3.960 -0.000 0.000 0.246 121 G HA3 0.348 4.308 3.960 -0.000 0.000 0.246 121 G C 0.031 175.046 174.900 0.192 0.000 1.359 121 G CA -0.339 44.847 45.100 0.144 0.000 0.861 121 G HN 1.776 nan 8.290 nan 0.000 0.541 122 A N 0.076 122.980 122.820 0.140 0.000 2.322 122 A HA 0.767 5.087 4.320 -0.000 0.000 0.327 122 A C 0.718 178.321 177.584 0.032 0.000 1.394 122 A CA 0.759 52.817 52.037 0.036 0.000 0.921 122 A CB 0.694 19.695 19.000 0.002 0.000 1.153 122 A HN 2.330 nan 8.150 nan 0.000 0.523 123 G N 1.656 110.540 108.800 0.141 0.000 3.964 123 G HA2 0.390 4.349 3.960 -0.000 0.000 0.289 123 G HA3 0.390 4.349 3.960 -0.000 0.000 0.289 123 G C 0.627 175.560 174.900 0.056 0.000 1.176 123 G CA 0.457 45.645 45.100 0.147 0.000 1.553 123 G HN 0.810 nan 8.290 nan 0.000 0.588 124 T N -2.397 112.110 114.554 -0.079 0.000 2.985 124 T HA 0.492 4.842 4.350 -0.000 0.000 0.254 124 T C 1.185 175.807 174.700 -0.130 0.000 1.021 124 T CA 0.437 62.449 62.100 -0.146 0.000 0.957 124 T CB 0.634 69.351 68.868 -0.252 0.000 1.047 124 T HN 1.604 nan 8.240 nan 0.000 0.511 125 G N 1.849 110.595 108.800 -0.091 0.000 2.716 125 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.686 125 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.686 125 G C 0.282 175.045 174.900 -0.229 0.000 1.337 125 G CA -0.241 44.782 45.100 -0.127 0.000 0.829 125 G HN 0.640 nan 8.290 nan 0.000 0.599 126 W N 1.191 122.201 121.300 -0.484 0.000 2.611 126 W HA -0.068 4.592 4.660 -0.000 0.000 0.251 126 W C 1.534 177.812 176.519 -0.401 0.000 1.265 126 W CA 1.946 58.821 57.345 -0.783 0.000 1.295 126 W CB -1.475 27.410 29.460 -0.958 0.000 1.129 126 W HN 1.037 nan 8.180 nan 0.000 0.630 127 T N -0.716 113.128 114.554 -1.182 0.000 2.995 127 T HA -0.029 4.321 4.350 -0.000 0.000 0.269 127 T C 1.268 175.439 174.700 -0.882 0.000 1.091 127 T CA 1.052 62.140 62.100 -1.686 0.000 1.128 127 T CB -0.912 66.974 68.868 -1.637 0.000 0.891 127 T HN 0.185 nan 8.240 nan 0.000 0.492 128 V N 0.633 120.260 119.914 -0.478 0.000 5.325 128 V HA -0.227 3.893 4.120 -0.000 0.000 0.291 128 V C 0.164 176.027 176.094 -0.384 0.000 0.541 128 V CA 0.335 62.468 62.300 -0.278 0.000 0.687 128 V CB -2.924 28.835 31.823 -0.107 0.000 0.491 128 V HN 0.709 nan 8.190 nan 0.000 1.145 129 Y N 2.113 122.121 120.300 -0.488 0.000 2.526 129 Y HA 0.242 4.792 4.550 -0.000 0.000 0.330 129 Y C -0.738 174.880 175.900 -0.469 0.000 1.156 129 Y CA -1.877 55.895 58.100 -0.546 0.000 1.419 129 Y CB 1.051 39.370 38.460 -0.236 0.000 1.250 129 Y HN 0.274 nan 8.280 nan 0.000 0.540 130 P HA 0.087 nan 4.420 nan 0.000 0.274 130 P C -2.439 174.824 177.300 -0.062 0.000 1.237 130 P CA -1.583 61.404 63.100 -0.188 0.000 0.793 130 P CB 1.042 32.651 31.700 -0.153 0.000 0.977 131 P HA 0.020 nan 4.420 nan 0.000 0.236 131 P C 1.530 178.858 177.300 0.046 0.000 1.177 131 P CA 0.118 63.238 63.100 0.033 0.000 0.773 131 P CB -0.132 31.600 31.700 0.053 0.000 0.878 132 L N 0.506 121.762 121.223 0.056 0.000 2.079 132 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 132 L C 1.952 178.913 176.870 0.151 0.000 1.081 132 L CA 2.029 56.939 54.840 0.116 0.000 0.752 132 L CB -1.338 40.781 42.059 0.099 0.000 0.896 132 L HN -0.057 nan 8.230 nan 0.000 0.433 133 A N -1.003 121.806 122.820 -0.018 0.000 2.238 133 A HA 0.410 4.730 4.320 -0.000 0.000 0.208 133 A C 1.370 178.938 177.584 -0.027 0.000 1.177 133 A CA 0.407 52.379 52.037 -0.109 0.000 0.804 133 A CB -1.194 17.669 19.000 -0.228 0.000 0.823 133 A HN 0.485 nan 8.150 nan 0.000 0.482 134 G N -0.059 108.757 108.800 0.027 0.000 2.563 134 G HA2 0.303 4.263 3.960 -0.000 0.000 0.283 134 G HA3 0.303 4.263 3.960 -0.000 0.000 0.283 134 G C 0.461 175.404 174.900 0.072 0.000 1.309 134 G CA 0.079 45.206 45.100 0.046 0.000 1.022 134 G HN 0.429 nan 8.290 nan 0.000 0.501 135 N N -0.666 118.069 118.700 0.059 0.000 2.449 135 N HA 0.022 4.762 4.740 -0.000 0.000 0.191 135 N C 1.265 176.804 175.510 0.048 0.000 1.161 135 N CA 0.434 53.517 53.050 0.056 0.000 0.863 135 N CB 0.131 38.645 38.487 0.044 0.000 0.980 135 N HN 0.400 nan 8.380 nan 0.000 0.458 136 L N -1.295 119.957 121.223 0.048 0.000 2.445 136 L HA 0.386 4.726 4.340 -0.000 0.000 0.207 136 L C 2.026 178.909 176.870 0.021 0.000 1.053 136 L CA 0.651 55.510 54.840 0.032 0.000 0.841 136 L CB -0.337 41.739 42.059 0.029 0.000 1.074 136 L HN 0.198 nan 8.230 nan 0.000 0.479 137 A N -1.225 121.618 122.820 0.039 0.000 2.123 137 A HA -0.027 4.293 4.320 -0.000 0.000 0.214 137 A C 0.343 177.893 177.584 -0.058 0.000 1.152 137 A CA 0.738 52.782 52.037 0.011 0.000 0.728 137 A CB -0.424 18.618 19.000 0.070 0.000 0.814 137 A HN 0.453 nan 8.150 nan 0.000 0.464 138 H N -0.650 118.428 119.070 0.014 0.000 2.379 138 H HA 0.550 5.106 4.556 -0.000 0.000 0.229 138 H C 0.160 175.498 175.328 0.015 0.000 1.423 138 H CA -0.063 55.994 56.048 0.015 0.000 1.375 138 H CB 0.506 30.273 29.762 0.009 0.000 1.592 138 H HN 0.410 nan 8.280 nan 0.000 0.507 139 A N 1.235 124.088 122.820 0.055 0.000 2.445 139 A HA 0.582 4.902 4.320 -0.000 0.000 0.242 139 A C 1.027 178.647 177.584 0.061 0.000 1.075 139 A CA 0.733 52.801 52.037 0.050 0.000 0.777 139 A CB -0.168 18.846 19.000 0.023 0.000 1.013 139 A HN 0.873 nan 8.150 nan 0.000 0.493 140 G N -0.810 108.025 108.800 0.059 0.000 2.603 140 G HA2 0.354 4.314 3.960 -0.000 0.000 0.686 140 G HA3 0.354 4.314 3.960 -0.000 0.000 0.686 140 G C 0.650 175.592 174.900 0.071 0.000 1.286 140 G CA 0.103 45.240 45.100 0.062 0.000 0.871 140 G HN 1.993 nan 8.290 nan 0.000 0.568 141 A N -0.324 122.539 122.820 0.072 0.000 2.119 141 A HA 0.324 4.644 4.320 -0.000 0.000 0.217 141 A C 2.638 180.266 177.584 0.073 0.000 1.153 141 A CA 2.507 54.590 52.037 0.078 0.000 0.692 141 A CB -0.495 18.557 19.000 0.087 0.000 0.799 141 A HN 1.473 nan 8.150 nan 0.000 0.458 142 S N -0.469 115.281 115.700 0.084 0.000 2.356 142 S HA -0.142 4.328 4.470 -0.000 0.000 0.223 142 S C 1.865 176.487 174.600 0.038 0.000 1.032 142 S CA 1.572 59.821 58.200 0.083 0.000 1.005 142 S CB -0.342 62.930 63.200 0.120 0.000 0.867 142 S HN 0.369 nan 8.310 nan 0.000 0.449 143 V N 2.216 122.138 119.914 0.013 0.000 2.515 143 V HA -0.130 3.990 4.120 -0.000 0.000 0.250 143 V C 1.891 177.912 176.094 -0.123 0.000 1.058 143 V CA 1.566 63.825 62.300 -0.068 0.000 1.064 143 V CB -0.556 31.214 31.823 -0.089 0.000 0.675 143 V HN 0.406 nan 8.190 nan 0.000 0.461 144 D N -0.083 120.251 120.400 -0.110 0.000 2.149 144 D HA -0.071 4.569 4.640 -0.000 0.000 0.201 144 D C 2.163 178.318 176.300 -0.242 0.000 0.972 144 D CA 0.908 54.754 54.000 -0.256 0.000 0.835 144 D CB -0.070 40.642 40.800 -0.146 0.000 0.966 144 D HN 0.333 nan 8.370 nan 0.000 0.476 145 L N 0.752 121.978 121.223 0.004 0.000 2.079 145 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 145 L C 2.487 179.361 176.870 0.008 0.000 1.081 145 L CA 1.124 56.033 54.840 0.115 0.000 0.752 145 L CB -0.571 41.559 42.059 0.118 0.000 0.896 145 L HN 0.026 nan 8.230 nan 0.000 0.433 146 T N -0.008 114.496 114.554 -0.083 0.000 2.746 146 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 146 T C 1.901 176.405 174.700 -0.326 0.000 1.039 146 T CA 1.280 63.262 62.100 -0.197 0.000 1.142 146 T CB -0.149 68.622 68.868 -0.162 0.000 0.866 146 T HN 0.181 nan 8.240 nan 0.000 0.444 147 I N 0.292 120.645 120.570 -0.361 0.000 2.142 147 I HA -0.161 4.009 4.170 -0.000 0.000 0.240 147 I C 2.083 177.910 176.117 -0.484 0.000 1.078 147 I CA 1.461 62.459 61.300 -0.503 0.000 1.343 147 I CB -0.407 37.241 38.000 -0.587 0.000 1.046 147 I HN 0.154 nan 8.210 nan 0.000 0.405 148 F N 0.606 120.469 119.950 -0.145 0.000 2.161 148 F HA -0.254 4.273 4.527 -0.000 0.000 0.300 148 F C 2.974 178.740 175.800 -0.055 0.000 1.089 148 F CA 1.555 59.541 58.000 -0.022 0.000 1.282 148 F CB -1.376 37.652 39.000 0.045 0.000 1.010 148 F HN 0.052 nan 8.300 nan 0.000 0.485 149 S N 0.210 115.956 115.700 0.076 0.000 2.365 149 S HA -0.186 4.284 4.470 -0.000 0.000 0.225 149 S C 2.116 176.652 174.600 -0.106 0.000 1.039 149 S CA 1.352 59.571 58.200 0.031 0.000 1.033 149 S CB -0.438 62.756 63.200 -0.010 0.000 0.887 149 S HN 0.366 nan 8.310 nan 0.000 0.447 150 L N -0.064 120.964 121.223 -0.325 0.000 2.240 150 L HA 0.017 4.357 4.340 -0.000 0.000 0.211 150 L C 2.342 179.056 176.870 -0.261 0.000 1.106 150 L CA 1.137 55.675 54.840 -0.502 0.000 0.793 150 L CB -0.538 41.133 42.059 -0.646 0.000 0.927 150 L HN 0.453 nan 8.230 nan 0.000 0.446 151 H N -0.320 118.690 119.070 -0.099 0.000 2.353 151 H HA -0.142 4.414 4.556 -0.000 0.000 0.300 151 H C 2.264 177.588 175.328 -0.006 0.000 1.090 151 H CA 1.205 57.239 56.048 -0.023 0.000 1.327 151 H CB 0.180 30.006 29.762 0.107 0.000 1.383 151 H HN 0.206 nan 8.280 nan 0.000 0.508 152 L N -0.196 121.118 121.223 0.151 0.000 2.072 152 L HA -0.087 4.253 4.340 -0.000 0.000 0.205 152 L C 2.821 179.742 176.870 0.085 0.000 1.079 152 L CA 0.829 55.732 54.840 0.104 0.000 0.752 152 L CB -0.620 41.497 42.059 0.097 0.000 0.906 152 L HN 0.329 nan 8.230 nan 0.000 0.436 153 A N 0.710 123.569 122.820 0.064 0.000 1.930 153 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 153 A C 2.417 180.060 177.584 0.098 0.000 1.175 153 A CA 1.607 53.705 52.037 0.101 0.000 0.627 153 A CB -1.093 17.911 19.000 0.006 0.000 0.815 153 A HN 0.423 nan 8.150 nan 0.000 0.443 154 G N -0.440 108.381 108.800 0.034 0.000 2.421 154 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.216 154 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.216 154 G C 1.515 176.460 174.900 0.075 0.000 1.171 154 G CA 1.281 46.411 45.100 0.048 0.000 0.775 154 G HN 0.312 nan 8.290 nan 0.000 0.543 155 V N 0.803 120.758 119.914 0.068 0.000 2.343 155 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 155 V C 3.035 179.175 176.094 0.077 0.000 1.051 155 V CA 2.180 64.515 62.300 0.058 0.000 1.036 155 V CB -0.391 31.456 31.823 0.040 0.000 0.654 155 V HN 0.497 nan 8.190 nan 0.000 0.451 156 S N -0.209 115.546 115.700 0.090 0.000 2.359 156 S HA -0.244 4.226 4.470 -0.000 0.000 0.223 156 S C 2.196 176.884 174.600 0.146 0.000 1.039 156 S CA 2.426 60.694 58.200 0.114 0.000 1.042 156 S CB -0.325 62.944 63.200 0.114 0.000 0.915 156 S HN 0.596 nan 8.310 nan 0.000 0.439 157 S N 0.538 116.331 115.700 0.155 0.000 2.436 157 S HA 0.168 4.638 4.470 -0.000 0.000 0.228 157 S C 1.698 176.388 174.600 0.151 0.000 1.014 157 S CA 0.867 59.168 58.200 0.168 0.000 0.950 157 S CB -0.308 63.001 63.200 0.182 0.000 0.784 157 S HN 0.497 nan 8.310 nan 0.000 0.504 158 I N 1.396 122.041 120.570 0.125 0.000 2.193 158 I HA -0.143 4.027 4.170 -0.000 0.000 0.240 158 I C 2.001 178.182 176.117 0.105 0.000 1.084 158 I CA 1.002 62.367 61.300 0.108 0.000 1.365 158 I CB -0.355 37.692 38.000 0.079 0.000 1.064 158 I HN 0.217 nan 8.210 nan 0.000 0.410 159 L N 0.431 121.709 121.223 0.092 0.000 2.043 159 L HA -0.199 4.141 4.340 -0.000 0.000 0.212 159 L C 2.705 179.650 176.870 0.124 0.000 1.075 159 L CA 1.741 56.635 54.840 0.089 0.000 0.752 159 L CB -1.559 40.541 42.059 0.067 0.000 0.891 159 L HN 0.382 nan 8.230 nan 0.000 0.432 160 G N -0.135 108.756 108.800 0.151 0.000 2.476 160 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.218 160 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.218 160 G C 1.778 176.833 174.900 0.257 0.000 1.164 160 G CA 1.059 46.277 45.100 0.196 0.000 0.768 160 G HN 0.495 nan 8.290 nan 0.000 0.560 161 A N 0.614 123.571 122.820 0.227 0.000 1.902 161 A HA 0.028 4.348 4.320 -0.000 0.000 0.217 161 A C 2.435 180.131 177.584 0.186 0.000 1.181 161 A CA 1.407 53.573 52.037 0.215 0.000 0.623 161 A CB -0.380 18.713 19.000 0.155 0.000 0.818 161 A HN 0.394 nan 8.150 nan 0.000 0.443 162 I N -0.216 120.448 120.570 0.157 0.000 2.286 162 I HA -0.234 3.936 4.170 -0.000 0.000 0.248 162 I C 2.427 178.659 176.117 0.192 0.000 1.115 162 I CA 1.293 62.691 61.300 0.164 0.000 1.392 162 I CB -0.323 37.763 38.000 0.142 0.000 1.065 162 I HN 0.367 nan 8.210 nan 0.000 0.418 163 N N 0.816 119.609 118.700 0.156 0.000 2.216 163 N HA -0.119 4.621 4.740 -0.000 0.000 0.183 163 N C 1.849 177.252 175.510 -0.179 0.000 1.017 163 N CA 1.472 54.529 53.050 0.011 0.000 0.861 163 N CB -0.119 38.326 38.487 -0.070 0.000 0.986 163 N HN 0.215 nan 8.380 nan 0.000 0.428 164 F N 1.062 120.996 119.950 -0.027 0.000 2.098 164 F HA 0.047 4.574 4.527 -0.000 0.000 0.294 164 F C 2.317 178.058 175.800 -0.098 0.000 1.107 164 F CA 0.596 58.547 58.000 -0.082 0.000 1.234 164 F CB -0.205 38.751 39.000 -0.073 0.000 1.002 164 F HN -0.038 nan 8.300 nan 0.000 0.472 165 I N -0.295 120.362 120.570 0.145 0.000 2.113 165 I HA -0.387 3.783 4.170 -0.000 0.000 0.242 165 I C 2.289 178.393 176.117 -0.021 0.000 1.064 165 I CA 1.869 63.196 61.300 0.045 0.000 1.320 165 I CB -0.965 37.072 38.000 0.061 0.000 1.028 165 I HN 0.161 nan 8.210 nan 0.000 0.406 166 T N -0.115 114.421 114.554 -0.030 0.000 2.708 166 T HA -0.176 4.174 4.350 -0.000 0.000 0.266 166 T C 1.904 176.482 174.700 -0.203 0.000 1.037 166 T CA 2.080 64.114 62.100 -0.110 0.000 1.146 166 T CB -0.430 68.339 68.868 -0.166 0.000 0.865 166 T HN 0.391 nan 8.240 nan 0.000 0.435 167 T N 2.023 116.428 114.554 -0.247 0.000 2.684 167 T HA -0.001 4.349 4.350 -0.000 0.000 0.267 167 T C 1.975 176.565 174.700 -0.182 0.000 1.036 167 T CA 1.058 63.004 62.100 -0.257 0.000 1.148 167 T CB -0.405 68.297 68.868 -0.277 0.000 0.863 167 T HN 0.314 nan 8.240 nan 0.000 0.436 168 I N 0.338 120.829 120.570 -0.132 0.000 2.353 168 I HA -0.094 4.076 4.170 -0.000 0.000 0.248 168 I C 2.009 178.012 176.117 -0.191 0.000 1.119 168 I CA 0.676 61.882 61.300 -0.156 0.000 1.417 168 I CB -0.171 37.743 38.000 -0.143 0.000 1.078 168 I HN 0.184 nan 8.210 nan 0.000 0.421 169 I N 0.571 121.044 120.570 -0.162 0.000 2.406 169 I HA -0.201 3.969 4.170 -0.000 0.000 0.249 169 I C 2.061 178.096 176.117 -0.137 0.000 1.122 169 I CA 1.565 62.774 61.300 -0.151 0.000 1.431 169 I CB -1.257 36.679 38.000 -0.105 0.000 1.087 169 I HN 0.269 nan 8.210 nan 0.000 0.424 170 N N -0.106 118.510 118.700 -0.141 0.000 2.356 170 N HA 0.093 4.833 4.740 -0.000 0.000 0.178 170 N C 1.102 176.528 175.510 -0.140 0.000 1.075 170 N CA 0.461 53.433 53.050 -0.130 0.000 0.889 170 N CB 0.272 38.679 38.487 -0.133 0.000 0.999 170 N HN 0.147 nan 8.380 nan 0.000 0.464 171 M N 0.045 119.548 119.600 -0.163 0.000 2.685 171 M HA 0.224 4.704 4.480 -0.000 0.000 0.355 171 M C -0.432 175.768 176.300 -0.167 0.000 1.197 171 M CA -0.209 54.992 55.300 -0.166 0.000 0.947 171 M CB 0.767 33.249 32.600 -0.197 0.000 1.346 171 M HN -0.145 nan 8.290 nan 0.000 0.516 172 K N 1.034 121.341 120.400 -0.154 0.000 2.098 172 K HA 0.471 4.791 4.320 -0.000 0.000 0.244 172 K C -2.441 174.080 176.600 -0.132 0.000 1.014 172 K CA -1.685 54.511 56.287 -0.152 0.000 0.917 172 K CB -0.054 32.362 32.500 -0.140 0.000 1.072 172 K HN -0.138 nan 8.250 nan 0.000 0.477 173 P HA 0.016 nan 4.420 nan 0.000 0.267 173 P C -2.148 175.096 177.300 -0.093 0.000 1.200 173 P CA -0.884 62.153 63.100 -0.105 0.000 0.772 173 P CB 0.124 31.766 31.700 -0.096 0.000 0.855 174 P HA -0.202 nan 4.420 nan 0.000 0.217 174 P C 1.030 178.286 177.300 -0.073 0.000 1.148 174 P CA 1.703 64.756 63.100 -0.077 0.000 0.828 174 P CB -0.201 31.454 31.700 -0.075 0.000 0.783 175 A N -1.495 121.275 122.820 -0.082 0.000 2.119 175 A HA 0.021 4.341 4.320 -0.000 0.000 0.216 175 A C 1.282 178.839 177.584 -0.047 0.000 1.152 175 A CA 0.200 52.197 52.037 -0.067 0.000 0.708 175 A CB -0.933 18.015 19.000 -0.087 0.000 0.805 175 A HN 0.190 nan 8.150 nan 0.000 0.460 176 M N 1.940 121.508 119.600 -0.054 0.000 2.108 176 M HA 0.331 4.811 4.480 -0.000 0.000 0.354 176 M C 0.350 176.622 176.300 -0.046 0.000 1.229 176 M CA -0.290 54.987 55.300 -0.038 0.000 1.081 176 M CB 0.786 33.357 32.600 -0.048 0.000 1.606 176 M HN 0.383 nan 8.290 nan 0.000 0.467 177 S N 3.366 119.054 115.700 -0.019 0.000 2.661 177 S HA 0.154 4.624 4.470 -0.000 0.000 0.265 177 S C 0.673 175.205 174.600 -0.114 0.000 1.225 177 S CA -0.421 57.747 58.200 -0.054 0.000 0.986 177 S CB 1.163 64.371 63.200 0.013 0.000 1.008 177 S HN 0.836 nan 8.310 nan 0.000 0.565 178 Q N -0.551 119.081 119.800 -0.279 0.000 2.291 178 Q HA -0.003 4.337 4.340 -0.000 0.000 0.206 178 Q C 0.498 176.475 176.000 -0.037 0.000 0.976 178 Q CA 1.642 57.221 55.803 -0.373 0.000 0.875 178 Q CB -0.543 27.845 28.738 -0.584 0.000 0.927 178 Q HN 0.827 nan 8.270 nan 0.000 0.450 179 Y N -0.898 119.639 120.300 0.396 0.000 2.470 179 Y HA 0.207 4.757 4.550 -0.000 0.000 0.284 179 Y C 0.661 176.730 175.900 0.281 0.000 1.188 179 Y CA 0.125 58.543 58.100 0.529 0.000 1.269 179 Y CB 0.231 38.898 38.460 0.344 0.000 1.094 179 Y HN 0.107 nan 8.280 nan 0.000 0.518 180 Q N -0.396 119.561 119.800 0.262 0.000 2.159 180 Q HA 0.131 4.471 4.340 -0.000 0.000 0.217 180 Q C 0.363 176.455 176.000 0.153 0.000 0.818 180 Q CA -0.155 55.716 55.803 0.113 0.000 1.008 180 Q CB 0.820 29.588 28.738 0.050 0.000 1.148 180 Q HN 0.270 nan 8.270 nan 0.000 0.491 181 T N -2.505 112.217 114.554 0.280 0.000 2.929 181 T HA 0.594 4.944 4.350 -0.000 0.000 0.284 181 T C -2.625 172.373 174.700 0.498 0.000 1.014 181 T CA -2.461 59.776 62.100 0.229 0.000 1.051 181 T CB 1.521 70.373 68.868 -0.027 0.000 1.028 181 T HN -0.245 nan 8.240 nan 0.000 0.485 182 P HA 0.161 nan 4.420 nan 0.000 0.266 182 P C 1.093 178.810 177.300 0.695 0.000 1.195 182 P CA -0.363 63.081 63.100 0.574 0.000 0.768 182 P CB 0.376 32.437 31.700 0.602 0.000 0.838 183 L N 1.607 123.237 121.223 0.679 0.000 2.081 183 L HA -0.216 4.124 4.340 -0.000 0.000 0.212 183 L C 2.113 179.345 176.870 0.603 0.000 1.080 183 L CA 1.527 56.704 54.840 0.561 0.000 0.754 183 L CB -0.692 41.597 42.059 0.384 0.000 0.893 183 L HN 0.392 nan 8.230 nan 0.000 0.433 184 F N 0.193 120.502 119.950 0.598 0.000 2.171 184 F HA -0.153 4.374 4.527 -0.000 0.000 0.300 184 F C 2.170 178.049 175.800 0.132 0.000 1.090 184 F CA 1.239 59.349 58.000 0.184 0.000 1.293 184 F CB -0.218 38.621 39.000 -0.269 0.000 1.013 184 F HN -0.251 nan 8.300 nan 0.000 0.486 185 V N -1.196 118.775 119.914 0.095 0.000 2.453 185 V HA -0.282 3.838 4.120 -0.000 0.000 0.247 185 V C 2.030 178.055 176.094 -0.114 0.000 1.048 185 V CA 1.809 64.041 62.300 -0.113 0.000 1.049 185 V CB -0.962 30.860 31.823 -0.001 0.000 0.672 185 V HN 0.468 nan 8.190 nan 0.000 0.457 186 W N 0.808 122.098 121.300 -0.018 0.000 2.363 186 W HA -0.203 4.457 4.660 -0.000 0.000 0.296 186 W C 2.987 179.461 176.519 -0.077 0.000 1.212 186 W CA 1.762 59.092 57.345 -0.024 0.000 1.260 186 W CB -0.431 29.039 29.460 0.017 0.000 1.131 186 W HN 0.358 nan 8.180 nan 0.000 0.530 187 S N -0.457 115.334 115.700 0.151 0.000 2.399 187 S HA -0.175 4.295 4.470 -0.000 0.000 0.231 187 S C 1.697 176.207 174.600 -0.151 0.000 1.022 187 S CA 1.558 59.782 58.200 0.040 0.000 0.983 187 S CB -0.941 62.306 63.200 0.079 0.000 0.803 187 S HN 0.063 nan 8.310 nan 0.000 0.480 188 V N 1.659 121.342 119.914 -0.386 0.000 2.379 188 V HA -0.041 4.079 4.120 -0.000 0.000 0.245 188 V C 2.585 178.515 176.094 -0.274 0.000 1.044 188 V CA 2.002 64.003 62.300 -0.498 0.000 1.036 188 V CB -0.678 30.649 31.823 -0.825 0.000 0.664 188 V HN 0.587 nan 8.190 nan 0.000 0.453 189 M N -0.407 119.094 119.600 -0.166 0.000 2.132 189 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 189 M C 2.018 178.325 176.300 0.012 0.000 1.065 189 M CA 2.051 57.306 55.300 -0.074 0.000 1.122 189 M CB -0.176 32.358 32.600 -0.109 0.000 1.365 189 M HN 0.238 nan 8.290 nan 0.000 0.411 190 I N -0.612 120.000 120.570 0.071 0.000 2.315 190 I HA -0.238 3.932 4.170 -0.000 0.000 0.248 190 I C 2.083 178.246 176.117 0.077 0.000 1.117 190 I CA 1.222 62.591 61.300 0.115 0.000 1.404 190 I CB -0.713 37.387 38.000 0.168 0.000 1.071 190 I HN 0.318 nan 8.210 nan 0.000 0.419 191 T N 1.046 115.605 114.554 0.009 0.000 2.665 191 T HA -0.247 4.103 4.350 -0.000 0.000 0.268 191 T C 2.109 176.817 174.700 0.013 0.000 1.035 191 T CA 1.723 63.814 62.100 -0.015 0.000 1.151 191 T CB -0.380 68.430 68.868 -0.096 0.000 0.862 191 T HN 0.501 nan 8.240 nan 0.000 0.438 192 A N 0.835 123.652 122.820 -0.006 0.000 1.908 192 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 192 A C 2.607 180.253 177.584 0.103 0.000 1.181 192 A CA 1.543 53.615 52.037 0.058 0.000 0.627 192 A CB -1.077 17.965 19.000 0.071 0.000 0.818 192 A HN 0.366 nan 8.150 nan 0.000 0.445 193 V N 0.096 120.074 119.914 0.107 0.000 2.343 193 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 193 V C 2.556 178.769 176.094 0.198 0.000 1.051 193 V CA 1.886 64.264 62.300 0.131 0.000 1.036 193 V CB -0.676 31.226 31.823 0.132 0.000 0.654 193 V HN 0.568 nan 8.190 nan 0.000 0.451 194 L N -0.944 120.415 121.223 0.228 0.000 2.017 194 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 194 L C 2.426 179.459 176.870 0.271 0.000 1.073 194 L CA 1.620 56.658 54.840 0.330 0.000 0.745 194 L CB -0.482 41.666 42.059 0.148 0.000 0.894 194 L HN 0.313 nan 8.230 nan 0.000 0.432 195 L N -0.718 120.610 121.223 0.174 0.000 2.042 195 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 195 L C 2.562 179.545 176.870 0.190 0.000 1.076 195 L CA 0.904 55.850 54.840 0.177 0.000 0.749 195 L CB -0.438 41.706 42.059 0.142 0.000 0.893 195 L HN 0.240 nan 8.230 nan 0.000 0.432 196 L N -0.453 120.870 121.223 0.167 0.000 2.042 196 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 196 L C 2.198 179.156 176.870 0.146 0.000 1.076 196 L CA 1.797 56.720 54.840 0.137 0.000 0.749 196 L CB -0.195 41.930 42.059 0.111 0.000 0.893 196 L HN 0.134 nan 8.230 nan 0.000 0.432 197 L N -1.685 119.654 121.223 0.193 0.000 2.307 197 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 197 L C 2.398 179.464 176.870 0.325 0.000 1.099 197 L CA 0.908 55.862 54.840 0.189 0.000 0.816 197 L CB -0.463 41.615 42.059 0.032 0.000 0.952 197 L HN 0.400 nan 8.230 nan 0.000 0.455 198 S N -0.537 115.398 115.700 0.391 0.000 2.427 198 S HA 0.024 4.494 4.470 -0.000 0.000 0.224 198 S C 1.908 176.717 174.600 0.348 0.000 1.047 198 S CA 0.034 58.483 58.200 0.415 0.000 0.953 198 S CB -0.513 62.859 63.200 0.286 0.000 0.824 198 S HN 0.220 nan 8.310 nan 0.000 0.502 199 L N 1.880 123.272 121.223 0.281 0.000 2.079 199 L HA 0.006 4.346 4.340 -0.000 0.000 0.210 199 L C -0.820 176.046 176.870 -0.007 0.000 1.081 199 L CA 1.242 56.125 54.840 0.071 0.000 0.752 199 L CB -1.343 40.770 42.059 0.089 0.000 0.896 199 L HN 0.275 nan 8.230 nan 0.000 0.433 200 P HA -0.112 nan 4.420 nan 0.000 0.220 200 P C 1.814 179.110 177.300 -0.007 0.000 1.148 200 P CA 0.991 64.102 63.100 0.019 0.000 0.803 200 P CB 0.136 31.857 31.700 0.034 0.000 0.782 201 V N -0.479 119.454 119.914 0.031 0.000 2.379 201 V HA -0.181 3.939 4.120 -0.000 0.000 0.245 201 V C 2.359 178.398 176.094 -0.091 0.000 1.044 201 V CA 1.250 63.546 62.300 -0.006 0.000 1.036 201 V CB -1.253 30.639 31.823 0.114 0.000 0.664 201 V HN 0.048 nan 8.190 nan 0.000 0.453 202 L N 1.306 122.424 121.223 -0.175 0.000 2.013 202 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 202 L C 2.479 179.193 176.870 -0.260 0.000 1.073 202 L CA 2.564 57.167 54.840 -0.395 0.000 0.753 202 L CB -0.910 40.611 42.059 -0.896 0.000 0.890 202 L HN 0.226 nan 8.230 nan 0.000 0.432 203 A N -0.419 122.294 122.820 -0.178 0.000 1.883 203 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 203 A C 2.485 180.072 177.584 0.005 0.000 1.186 203 A CA 2.258 54.275 52.037 -0.034 0.000 0.624 203 A CB -1.357 17.663 19.000 0.034 0.000 0.822 203 A HN 0.654 nan 8.150 nan 0.000 0.444 204 A N -0.649 122.145 122.820 -0.043 0.000 1.883 204 A HA 0.069 4.389 4.320 -0.000 0.000 0.217 204 A C 2.439 179.983 177.584 -0.067 0.000 1.186 204 A CA 2.131 54.129 52.037 -0.064 0.000 0.624 204 A CB -1.419 17.526 19.000 -0.091 0.000 0.822 204 A HN 0.784 nan 8.150 nan 0.000 0.444 205 G N 0.489 109.245 108.800 -0.074 0.000 2.402 205 G HA2 -0.129 3.831 3.960 -0.000 0.000 0.216 205 G HA3 -0.129 3.831 3.960 -0.000 0.000 0.216 205 G C 1.515 176.486 174.900 0.118 0.000 1.162 205 G CA 1.108 46.200 45.100 -0.014 0.000 0.777 205 G HN 0.818 nan 8.290 nan 0.000 0.539 206 I N -1.671 118.917 120.570 0.030 0.000 2.546 206 I HA 0.019 4.189 4.170 -0.000 0.000 0.255 206 I C 2.304 178.440 176.117 0.032 0.000 1.163 206 I CA 1.424 62.750 61.300 0.044 0.000 1.457 206 I CB -0.673 37.232 38.000 -0.158 0.000 1.092 206 I HN -0.094 nan 8.210 nan 0.000 0.434 207 T N 1.511 116.114 114.554 0.082 0.000 2.821 207 T HA 0.001 4.351 4.350 -0.000 0.000 0.267 207 T C 1.923 176.647 174.700 0.039 0.000 1.046 207 T CA 1.668 63.838 62.100 0.117 0.000 1.139 207 T CB -0.195 68.738 68.868 0.109 0.000 0.871 207 T HN 0.324 nan 8.240 nan 0.000 0.454 208 M N 0.318 119.895 119.600 -0.038 0.000 2.175 208 M HA 0.001 4.481 4.480 -0.000 0.000 0.264 208 M C 2.199 178.605 176.300 0.176 0.000 1.063 208 M CA 1.128 56.311 55.300 -0.196 0.000 1.119 208 M CB -0.365 31.840 32.600 -0.659 0.000 1.377 208 M HN 0.171 nan 8.290 nan 0.000 0.415 209 L N 0.397 121.844 121.223 0.374 0.000 2.093 209 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 209 L C 2.119 179.064 176.870 0.125 0.000 1.085 209 L CA 1.469 56.505 54.840 0.327 0.000 0.755 209 L CB -0.602 41.577 42.059 0.200 0.000 0.904 209 L HN 0.207 nan 8.230 nan 0.000 0.435 210 L N -0.730 120.522 121.223 0.049 0.000 2.046 210 L HA -0.176 4.164 4.340 -0.000 0.000 0.208 210 L C 2.558 179.462 176.870 0.057 0.000 1.077 210 L CA 2.443 57.276 54.840 -0.013 0.000 0.747 210 L CB -0.917 41.112 42.059 -0.051 0.000 0.896 210 L HN 0.611 nan 8.230 nan 0.000 0.432 211 T N -4.515 110.102 114.554 0.105 0.000 2.812 211 T HA -0.134 4.216 4.350 -0.000 0.000 0.264 211 T C 1.659 176.432 174.700 0.122 0.000 1.042 211 T CA 1.078 63.256 62.100 0.131 0.000 1.140 211 T CB -0.659 68.327 68.868 0.197 0.000 0.870 211 T HN 0.271 nan 8.240 nan 0.000 0.445 212 D N 1.520 122.011 120.400 0.152 0.000 2.133 212 D HA -0.062 4.578 4.640 -0.000 0.000 0.195 212 D C 2.408 178.750 176.300 0.071 0.000 0.997 212 D CA 1.131 55.193 54.000 0.104 0.000 0.840 212 D CB -0.227 40.659 40.800 0.142 0.000 0.947 212 D HN 0.464 nan 8.370 nan 0.000 0.452 213 R N -0.443 120.097 120.500 0.068 0.000 2.200 213 R HA 0.146 4.486 4.340 -0.000 0.000 0.208 213 R C 1.103 177.429 176.300 0.044 0.000 1.033 213 R CA 0.634 56.762 56.100 0.047 0.000 1.000 213 R CB 0.234 30.550 30.300 0.027 0.000 0.906 213 R HN 0.180 nan 8.270 nan 0.000 0.462 214 N N -0.995 117.735 118.700 0.050 0.000 2.166 214 N HA 0.117 4.857 4.740 -0.000 0.000 0.222 214 N C 0.607 176.147 175.510 0.050 0.000 1.282 214 N CA 0.248 53.330 53.050 0.053 0.000 0.890 214 N CB 1.177 39.704 38.487 0.067 0.000 1.114 214 N HN 0.081 nan 8.380 nan 0.000 0.494 215 L N 0.895 122.148 121.223 0.050 0.000 3.122 215 L HA 0.289 4.629 4.340 -0.000 0.000 0.274 215 L C -0.153 176.726 176.870 0.016 0.000 1.222 215 L CA -0.014 54.849 54.840 0.039 0.000 1.028 215 L CB 0.101 42.193 42.059 0.054 0.000 1.386 215 L HN -0.061 nan 8.230 nan 0.000 0.578 216 N N 0.430 119.136 118.700 0.010 0.000 2.741 216 N HA -0.143 4.597 4.740 -0.000 0.000 0.251 216 N C 0.604 176.082 175.510 -0.054 0.000 1.112 216 N CA 1.373 54.414 53.050 -0.015 0.000 0.750 216 N CB -1.379 37.099 38.487 -0.014 0.000 1.119 216 N HN 0.572 nan 8.380 nan 0.000 0.561 217 T N -2.196 112.323 114.554 -0.058 0.000 2.766 217 T HA 0.444 4.794 4.350 -0.000 0.000 0.295 217 T C 1.122 175.706 174.700 -0.194 0.000 1.024 217 T CA 0.489 62.479 62.100 -0.183 0.000 1.018 217 T CB 1.382 70.139 68.868 -0.185 0.000 1.002 217 T HN 0.282 nan 8.240 nan 0.000 0.532 218 T N -1.584 112.754 114.554 -0.360 0.000 3.823 218 T HA 0.314 4.664 4.350 -0.000 0.000 0.261 218 T C 0.567 175.074 174.700 -0.320 0.000 0.983 218 T CA -0.659 61.304 62.100 -0.228 0.000 1.151 218 T CB -0.922 67.853 68.868 -0.154 0.000 1.062 218 T HN 0.463 nan 8.240 nan 0.000 0.542 219 F N 0.726 120.451 119.950 -0.376 0.000 2.161 219 F HA 0.109 4.636 4.527 -0.000 0.000 0.300 219 F C 1.191 176.687 175.800 -0.507 0.000 1.089 219 F CA 1.157 58.807 58.000 -0.583 0.000 1.282 219 F CB -0.283 38.010 39.000 -1.179 0.000 1.010 219 F HN 0.364 nan 8.300 nan 0.000 0.485 220 F N -1.307 118.773 119.950 0.216 0.000 2.698 220 F HA 0.238 4.765 4.527 -0.000 0.000 0.304 220 F C -0.069 175.774 175.800 0.071 0.000 1.108 220 F CA -0.953 57.130 58.000 0.139 0.000 1.263 220 F CB -0.172 38.899 39.000 0.120 0.000 1.013 220 F HN -0.260 nan 8.300 nan 0.000 0.532 221 D N 0.837 121.312 120.400 0.125 0.000 2.440 221 D HA 0.310 4.950 4.640 -0.000 0.000 0.239 221 D C -2.194 174.134 176.300 0.047 0.000 1.084 221 D CA -2.473 51.574 54.000 0.079 0.000 0.843 221 D CB 2.402 43.224 40.800 0.036 0.000 1.097 221 D HN -0.122 nan 8.370 nan 0.000 0.531 222 P HA -0.068 nan 4.420 nan 0.000 0.218 222 P C 1.108 178.421 177.300 0.022 0.000 1.149 222 P CA 1.209 64.335 63.100 0.043 0.000 0.817 222 P CB 0.239 31.968 31.700 0.048 0.000 0.785 223 A N -0.194 122.636 122.820 0.017 0.000 2.032 223 A HA -0.117 4.203 4.320 -0.000 0.000 0.221 223 A C 2.185 179.763 177.584 -0.010 0.000 1.165 223 A CA 2.061 54.101 52.037 0.005 0.000 0.645 223 A CB -1.647 17.356 19.000 0.005 0.000 0.807 223 A HN 0.338 nan 8.150 nan 0.000 0.453 224 G N -2.987 105.799 108.800 -0.023 0.000 3.277 224 G HA2 0.416 4.376 3.960 -0.000 0.000 0.243 224 G HA3 0.416 4.376 3.960 -0.000 0.000 0.243 224 G C 0.999 175.869 174.900 -0.050 0.000 1.107 224 G CA 0.519 45.589 45.100 -0.050 0.000 0.771 224 G HN 1.607 nan 8.290 nan 0.000 0.544 225 G N -1.085 107.702 108.800 -0.022 0.000 2.176 225 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.232 225 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.232 225 G C 0.801 175.701 174.900 0.000 0.000 0.986 225 G CA 0.173 45.267 45.100 -0.011 0.000 0.643 225 G HN 0.980 nan 8.290 nan 0.000 0.522 226 G N -0.790 108.009 108.800 -0.000 0.000 2.563 226 G HA2 0.511 4.471 3.960 -0.000 0.000 0.283 226 G HA3 0.511 4.471 3.960 -0.000 0.000 0.283 226 G C -0.733 174.236 174.900 0.115 0.000 1.309 226 G CA 0.586 45.712 45.100 0.042 0.000 1.022 226 G HN 0.542 nan 8.290 nan 0.000 0.501 227 D N -1.547 118.980 120.400 0.211 0.000 2.891 227 D HA 0.333 4.973 4.640 -0.000 0.000 0.224 227 D C -2.030 174.446 176.300 0.294 0.000 1.321 227 D CA -1.605 52.523 54.000 0.213 0.000 0.929 227 D CB 2.125 43.041 40.800 0.194 0.000 1.551 227 D HN -0.043 nan 8.370 nan 0.000 0.574 228 P HA -0.101 nan 4.420 nan 0.000 0.216 228 P C 1.536 178.840 177.300 0.007 0.000 1.150 228 P CA 0.598 63.753 63.100 0.091 0.000 0.843 228 P CB 0.295 32.009 31.700 0.022 0.000 0.787 229 I N -1.430 119.164 120.570 0.039 0.000 2.614 229 I HA -0.122 4.048 4.170 -0.000 0.000 0.258 229 I C 2.099 178.268 176.117 0.087 0.000 1.189 229 I CA 0.815 62.104 61.300 -0.019 0.000 1.462 229 I CB -1.545 36.473 38.000 0.030 0.000 1.092 229 I HN 0.004 nan 8.210 nan 0.000 0.442 230 L N 0.661 122.030 121.223 0.245 0.000 2.046 230 L HA -0.255 4.085 4.340 -0.000 0.000 0.208 230 L C 2.623 179.594 176.870 0.168 0.000 1.077 230 L CA 1.856 56.901 54.840 0.341 0.000 0.747 230 L CB -1.078 41.259 42.059 0.464 0.000 0.896 230 L HN 0.237 nan 8.230 nan 0.000 0.432 231 Y N 0.310 120.439 120.300 -0.286 0.000 2.097 231 Y HA -0.309 4.241 4.550 -0.000 0.000 0.282 231 Y C 2.592 178.300 175.900 -0.319 0.000 1.152 231 Y CA 2.303 59.973 58.100 -0.717 0.000 1.136 231 Y CB -0.353 37.320 38.460 -1.312 0.000 0.975 231 Y HN 0.374 nan 8.280 nan 0.000 0.498 232 Q N -0.952 118.719 119.800 -0.215 0.000 2.112 232 Q HA -0.266 4.074 4.340 -0.000 0.000 0.206 232 Q C 2.068 178.116 176.000 0.080 0.000 0.987 232 Q CA 1.677 57.394 55.803 -0.143 0.000 0.858 232 Q CB -0.402 28.165 28.738 -0.285 0.000 0.905 232 Q HN 0.658 nan 8.270 nan 0.000 0.420 233 H N 0.280 119.432 119.070 0.136 0.000 2.357 233 H HA -0.053 4.503 4.556 -0.000 0.000 0.301 233 H C 2.200 177.521 175.328 -0.011 0.000 1.082 233 H CA 1.062 57.254 56.048 0.239 0.000 1.342 233 H CB -0.040 29.873 29.762 0.250 0.000 1.389 233 H HN 0.226 nan 8.280 nan 0.000 0.511 234 L N -0.577 120.643 121.223 -0.005 0.000 2.056 234 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 234 L C 2.506 179.262 176.870 -0.190 0.000 1.078 234 L CA 0.846 55.606 54.840 -0.134 0.000 0.749 234 L CB -0.462 41.480 42.059 -0.195 0.000 0.901 234 L HN 0.100 nan 8.230 nan 0.000 0.433 235 F N -0.328 119.312 119.950 -0.517 0.000 2.102 235 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 235 F C 2.006 177.553 175.800 -0.421 0.000 1.105 235 F CA 1.555 59.194 58.000 -0.602 0.000 1.239 235 F CB -0.334 38.117 39.000 -0.916 0.000 0.991 235 F HN -0.029 nan 8.300 nan 0.000 0.474 236 W N -1.212 120.176 121.300 0.146 0.000 2.584 236 W HA -0.074 4.586 4.660 -0.000 0.000 0.264 236 W C 2.220 178.727 176.519 -0.020 0.000 1.264 236 W CA 0.417 57.813 57.345 0.084 0.000 1.306 236 W CB -0.559 29.088 29.460 0.311 0.000 1.110 236 W HN 0.074 nan 8.180 nan 0.000 0.606 237 F N 0.056 119.914 119.950 -0.153 0.000 2.161 237 F HA -0.280 4.247 4.527 -0.000 0.000 0.300 237 F C 2.229 177.961 175.800 -0.113 0.000 1.089 237 F CA 1.896 59.659 58.000 -0.395 0.000 1.282 237 F CB -0.581 38.058 39.000 -0.602 0.000 1.010 237 F HN -0.027 nan 8.300 nan 0.000 0.485 238 F N 0.246 120.065 119.950 -0.218 0.000 2.187 238 F HA 0.165 4.692 4.527 -0.000 0.000 0.295 238 F C 2.236 177.826 175.800 -0.350 0.000 1.091 238 F CA 1.503 59.326 58.000 -0.296 0.000 1.308 238 F CB -1.127 37.656 39.000 -0.361 0.000 1.030 238 F HN -0.109 nan 8.300 nan 0.000 0.487 239 G N -1.094 107.291 108.800 -0.692 0.000 2.408 239 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.217 239 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.217 239 G C 1.399 176.120 174.900 -0.299 0.000 1.150 239 G CA 1.074 45.672 45.100 -0.836 0.000 0.776 239 G HN 0.545 nan 8.290 nan 0.000 0.542 240 H N 1.590 120.648 119.070 -0.020 0.000 2.307 240 H HA 0.017 4.573 4.556 -0.000 0.000 0.303 240 H C 0.129 175.405 175.328 -0.087 0.000 1.073 240 H CA 1.513 57.603 56.048 0.069 0.000 1.338 240 H CB -0.505 29.396 29.762 0.231 0.000 1.389 240 H HN 0.232 nan 8.280 nan 0.000 0.503 241 P HA -0.186 nan 4.420 nan 0.000 0.217 241 P C 1.244 178.293 177.300 -0.419 0.000 1.151 241 P CA 1.933 64.786 63.100 -0.412 0.000 0.849 241 P CB 0.029 31.257 31.700 -0.786 0.000 0.787 242 E N -0.023 119.763 120.200 -0.691 0.000 2.085 242 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 242 E C 1.750 178.037 176.600 -0.521 0.000 0.994 242 E CA 1.568 57.548 56.400 -0.700 0.000 0.801 242 E CB -1.257 27.768 29.700 -1.125 0.000 0.743 242 E HN 0.151 nan 8.360 nan 0.000 0.453 243 V N -1.154 118.407 119.914 -0.588 0.000 2.515 243 V HA -0.195 3.925 4.120 -0.000 0.000 0.250 243 V C 1.923 177.610 176.094 -0.679 0.000 1.058 243 V CA 1.681 63.597 62.300 -0.639 0.000 1.064 243 V CB -1.081 30.339 31.823 -0.671 0.000 0.675 243 V HN 0.216 nan 8.190 nan 0.000 0.461 244 Y N 0.703 120.807 120.300 -0.326 0.000 2.200 244 Y HA 0.081 4.631 4.550 -0.000 0.000 0.290 244 Y C 2.417 178.188 175.900 -0.214 0.000 1.137 244 Y CA 1.734 59.714 58.100 -0.200 0.000 1.163 244 Y CB -0.606 37.790 38.460 -0.106 0.000 0.988 244 Y HN 0.174 nan 8.280 nan 0.000 0.518 245 I N -0.345 120.152 120.570 -0.122 0.000 2.315 245 I HA -0.324 3.846 4.170 -0.000 0.000 0.251 245 I C 1.867 177.880 176.117 -0.173 0.000 1.125 245 I CA 1.424 62.643 61.300 -0.134 0.000 1.392 245 I CB -0.381 37.531 38.000 -0.146 0.000 1.065 245 I HN 0.230 nan 8.210 nan 0.000 0.424 246 L N -0.733 120.343 121.223 -0.245 0.000 2.313 246 L HA -0.095 4.245 4.340 -0.000 0.000 0.214 246 L C 2.200 178.956 176.870 -0.191 0.000 1.119 246 L CA 0.568 55.270 54.840 -0.230 0.000 0.809 246 L CB -0.038 41.840 42.059 -0.303 0.000 0.933 246 L HN 0.224 nan 8.230 nan 0.000 0.449 247 I N -1.083 119.336 120.570 -0.251 0.000 3.339 247 I HA -0.041 4.129 4.170 -0.000 0.000 0.285 247 I C 2.004 177.822 176.117 -0.497 0.000 1.201 247 I CA 0.894 62.001 61.300 -0.322 0.000 1.434 247 I CB 0.146 37.897 38.000 -0.415 0.000 1.152 247 I HN 0.002 nan 8.210 nan 0.000 0.443 248 L N 1.338 122.319 121.223 -0.403 0.000 1.990 248 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 248 L C -0.450 176.385 176.870 -0.058 0.000 1.072 248 L CA 1.918 56.614 54.840 -0.240 0.000 0.755 248 L CB -1.883 40.143 42.059 -0.054 0.000 0.889 248 L HN 0.193 nan 8.230 nan 0.000 0.432 249 P HA -0.102 nan 4.420 nan 0.000 0.222 249 P C 1.444 178.851 177.300 0.177 0.000 1.147 249 P CA 1.510 64.662 63.100 0.088 0.000 0.790 249 P CB -0.154 31.598 31.700 0.086 0.000 0.780 250 G N -1.436 107.385 108.800 0.034 0.000 2.403 250 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.216 250 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.216 250 G C 1.422 176.290 174.900 -0.052 0.000 1.154 250 G CA 0.122 45.199 45.100 -0.038 0.000 0.784 250 G HN 0.234 nan 8.290 nan 0.000 0.538 251 F N 1.244 121.189 119.950 -0.009 0.000 2.171 251 F HA -0.031 4.496 4.527 -0.000 0.000 0.300 251 F C 2.968 178.906 175.800 0.230 0.000 1.090 251 F CA 0.275 58.348 58.000 0.122 0.000 1.293 251 F CB -0.019 39.154 39.000 0.288 0.000 1.013 251 F HN 0.268 nan 8.300 nan 0.000 0.486 252 G N 0.305 109.383 108.800 0.462 0.000 2.421 252 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.216 252 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.216 252 G C 1.596 176.819 174.900 0.538 0.000 1.171 252 G CA 0.661 46.095 45.100 0.557 0.000 0.775 252 G HN 0.194 nan 8.290 nan 0.000 0.543 253 M N 0.170 119.966 119.600 0.328 0.000 2.117 253 M HA -0.011 4.469 4.480 -0.000 0.000 0.262 253 M C 2.495 178.816 176.300 0.034 0.000 1.065 253 M CA 1.007 56.370 55.300 0.105 0.000 1.114 253 M CB -0.366 32.175 32.600 -0.099 0.000 1.361 253 M HN 0.110 nan 8.290 nan 0.000 0.408 254 I N -0.090 120.376 120.570 -0.173 0.000 2.226 254 I HA -0.230 3.940 4.170 -0.000 0.000 0.245 254 I C 2.472 178.449 176.117 -0.233 0.000 1.100 254 I CA 1.468 62.499 61.300 -0.448 0.000 1.374 254 I CB -1.312 36.028 38.000 -1.101 0.000 1.057 254 I HN 0.247 nan 8.210 nan 0.000 0.413 255 S N -0.408 115.379 115.700 0.146 0.000 2.370 255 S HA -0.197 4.273 4.470 -0.000 0.000 0.226 255 S C 1.895 176.650 174.600 0.258 0.000 1.033 255 S CA 1.065 59.506 58.200 0.402 0.000 1.011 255 S CB -0.454 63.083 63.200 0.563 0.000 0.852 255 S HN 0.494 nan 8.310 nan 0.000 0.457 256 H N 0.216 119.411 119.070 0.208 0.000 2.353 256 H HA 0.014 4.570 4.556 -0.000 0.000 0.300 256 H C 2.108 177.432 175.328 -0.007 0.000 1.090 256 H CA 1.444 57.608 56.048 0.193 0.000 1.327 256 H CB -0.152 29.820 29.762 0.351 0.000 1.383 256 H HN 0.356 nan 8.280 nan 0.000 0.508 257 I N 0.051 120.604 120.570 -0.029 0.000 2.333 257 I HA -0.188 3.982 4.170 -0.000 0.000 0.246 257 I C 2.510 178.634 176.117 0.011 0.000 1.106 257 I CA 0.421 61.609 61.300 -0.187 0.000 1.411 257 I CB -0.035 37.828 38.000 -0.228 0.000 1.082 257 I HN -0.015 nan 8.210 nan 0.000 0.420 258 V N 0.571 120.471 119.914 -0.023 0.000 2.343 258 V HA -0.285 3.835 4.120 -0.000 0.000 0.247 258 V C 2.500 178.626 176.094 0.052 0.000 1.051 258 V CA 2.409 64.715 62.300 0.010 0.000 1.036 258 V CB -0.858 30.952 31.823 -0.021 0.000 0.654 258 V HN 0.465 nan 8.190 nan 0.000 0.451 259 T N -1.155 113.442 114.554 0.072 0.000 2.674 259 T HA -0.248 4.102 4.350 -0.000 0.000 0.265 259 T C 1.719 176.409 174.700 -0.017 0.000 1.039 259 T CA 2.185 64.320 62.100 0.058 0.000 1.150 259 T CB -0.399 68.512 68.868 0.071 0.000 0.864 259 T HN 0.540 nan 8.240 nan 0.000 0.427 260 Y N 0.557 120.745 120.300 -0.187 0.000 2.081 260 Y HA -0.249 4.301 4.550 -0.000 0.000 0.280 260 Y C 1.877 177.491 175.900 -0.476 0.000 1.163 260 Y CA 1.565 59.434 58.100 -0.385 0.000 1.135 260 Y CB -0.309 37.772 38.460 -0.631 0.000 0.970 260 Y HN 0.263 nan 8.280 nan 0.000 0.498 261 Y N -1.230 119.067 120.300 -0.004 0.000 2.490 261 Y HA 0.053 4.603 4.550 -0.000 0.000 0.281 261 Y C 2.160 177.962 175.900 -0.163 0.000 1.174 261 Y CA 0.707 58.757 58.100 -0.083 0.000 1.295 261 Y CB -0.070 38.324 38.460 -0.110 0.000 1.062 261 Y HN 0.012 nan 8.280 nan 0.000 0.522 262 S N -0.926 114.746 115.700 -0.048 0.000 2.593 262 S HA 0.183 4.653 4.470 -0.000 0.000 0.217 262 S C 1.762 176.298 174.600 -0.106 0.000 0.966 262 S CA 0.633 58.788 58.200 -0.074 0.000 0.914 262 S CB -0.225 62.955 63.200 -0.034 0.000 0.776 262 S HN 0.656 nan 8.310 nan 0.000 0.523 263 G N 2.022 110.714 108.800 -0.179 0.000 2.160 263 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.251 263 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.251 263 G C -0.161 174.645 174.900 -0.157 0.000 1.008 263 G CA -0.014 44.959 45.100 -0.212 0.000 0.724 263 G HN 0.291 nan 8.290 nan 0.000 0.514 264 K N -0.003 120.325 120.400 -0.120 0.000 2.098 264 K HA 0.387 4.707 4.320 -0.000 0.000 0.258 264 K C 1.510 178.076 176.600 -0.057 0.000 0.973 264 K CA -0.264 55.991 56.287 -0.054 0.000 0.898 264 K CB 1.417 33.923 32.500 0.010 0.000 1.057 264 K HN 0.457 nan 8.250 nan 0.000 0.447 265 K N 0.246 120.630 120.400 -0.027 0.000 2.288 265 K HA -0.073 4.247 4.320 -0.000 0.000 0.201 265 K C 0.218 176.831 176.600 0.022 0.000 1.048 265 K CA 1.014 57.295 56.287 -0.010 0.000 0.956 265 K CB 0.238 32.735 32.500 -0.005 0.000 0.746 265 K HN 0.677 nan 8.250 nan 0.000 0.461 266 E N 0.547 120.771 120.200 0.039 0.000 2.407 266 E HA 0.321 4.671 4.350 -0.000 0.000 0.279 266 E C -3.037 173.632 176.600 0.114 0.000 1.012 266 E CA -2.493 53.949 56.400 0.070 0.000 0.800 266 E CB 1.591 31.322 29.700 0.051 0.000 1.276 266 E HN -0.166 nan 8.360 nan 0.000 0.452 267 P HA 0.064 nan 4.420 nan 0.000 0.271 267 P C -0.549 176.898 177.300 0.245 0.000 1.216 267 P CA -0.241 62.994 63.100 0.225 0.000 0.776 267 P CB 0.344 32.188 31.700 0.241 0.000 0.881 268 F N 2.312 122.333 119.950 0.117 0.000 2.572 268 F HA 0.329 4.856 4.527 -0.000 0.000 0.370 268 F C 1.379 177.225 175.800 0.077 0.000 1.103 268 F CA 1.379 59.435 58.000 0.093 0.000 1.286 268 F CB -0.135 38.920 39.000 0.092 0.000 1.105 268 F HN 0.710 nan 8.300 nan 0.000 0.583 269 G N 5.900 114.394 108.800 -0.509 0.000 2.359 269 G HA2 -0.399 3.561 3.960 -0.000 0.000 0.298 269 G HA3 -0.399 3.561 3.960 -0.000 0.000 0.298 269 G C 0.419 175.296 174.900 -0.038 0.000 1.030 269 G CA 0.541 45.438 45.100 -0.338 0.000 1.149 269 G HN 1.058 nan 8.290 nan 0.000 0.512 270 Y N 0.348 120.590 120.300 -0.098 0.000 2.062 270 Y HA -0.319 4.231 4.550 -0.000 0.000 0.276 270 Y C 2.667 178.531 175.900 -0.059 0.000 1.189 270 Y CA 2.838 60.918 58.100 -0.033 0.000 1.130 270 Y CB -0.074 38.387 38.460 0.001 0.000 0.959 270 Y HN 0.424 nan 8.280 nan 0.000 0.499 271 M N -0.389 119.242 119.600 0.051 0.000 2.254 271 M HA -0.045 4.435 4.480 -0.000 0.000 0.265 271 M C 2.495 178.735 176.300 -0.100 0.000 1.066 271 M CA 1.294 56.546 55.300 -0.080 0.000 1.123 271 M CB -1.897 30.679 32.600 -0.041 0.000 1.388 271 M HN 0.488 nan 8.290 nan 0.000 0.425 272 G N 0.454 109.218 108.800 -0.059 0.000 2.475 272 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.220 272 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.220 272 G C 1.526 176.475 174.900 0.081 0.000 1.125 272 G CA 0.774 45.894 45.100 0.033 0.000 0.755 272 G HN 0.285 nan 8.290 nan 0.000 0.565 273 M N 0.114 119.665 119.600 -0.082 0.000 2.236 273 M HA 0.076 4.556 4.480 -0.000 0.000 0.266 273 M C 2.771 178.927 176.300 -0.240 0.000 1.070 273 M CA 0.563 55.770 55.300 -0.155 0.000 1.137 273 M CB -0.916 31.587 32.600 -0.162 0.000 1.378 273 M HN 0.114 nan 8.290 nan 0.000 0.426 274 V N -0.776 118.882 119.914 -0.427 0.000 2.261 274 V HA -0.268 3.852 4.120 -0.000 0.000 0.246 274 V C 2.109 177.995 176.094 -0.347 0.000 1.047 274 V CA 1.973 63.882 62.300 -0.652 0.000 1.015 274 V CB -0.859 30.321 31.823 -1.071 0.000 0.642 274 V HN 0.637 nan 8.190 nan 0.000 0.446 275 W N 1.164 122.265 121.300 -0.332 0.000 2.338 275 W HA -0.199 4.461 4.660 -0.000 0.000 0.304 275 W C 2.384 178.823 176.519 -0.134 0.000 1.212 275 W CA 2.075 59.299 57.345 -0.202 0.000 1.264 275 W CB -0.392 28.969 29.460 -0.165 0.000 1.142 275 W HN 0.189 nan 8.180 nan 0.000 0.512 276 A N 0.277 122.972 122.820 -0.207 0.000 1.898 276 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 276 A C 2.059 179.440 177.584 -0.339 0.000 1.181 276 A CA 1.971 53.744 52.037 -0.441 0.000 0.620 276 A CB -0.815 18.095 19.000 -0.150 0.000 0.819 276 A HN 0.408 nan 8.150 nan 0.000 0.442 277 M N -1.198 118.293 119.600 -0.182 0.000 2.175 277 M HA -0.100 4.380 4.480 -0.000 0.000 0.264 277 M C 2.359 178.622 176.300 -0.062 0.000 1.063 277 M CA 1.440 56.720 55.300 -0.033 0.000 1.119 277 M CB -0.429 32.201 32.600 0.051 0.000 1.377 277 M HN 0.420 nan 8.290 nan 0.000 0.415 278 M N -0.826 118.688 119.600 -0.143 0.000 2.175 278 M HA -0.141 4.339 4.480 -0.000 0.000 0.264 278 M C 2.245 178.468 176.300 -0.128 0.000 1.063 278 M CA 1.343 56.596 55.300 -0.079 0.000 1.119 278 M CB -0.474 32.087 32.600 -0.065 0.000 1.377 278 M HN 0.191 nan 8.290 nan 0.000 0.415 279 S N 0.945 116.410 115.700 -0.391 0.000 2.368 279 S HA -0.058 4.412 4.470 -0.000 0.000 0.225 279 S C 1.824 176.323 174.600 -0.167 0.000 1.030 279 S CA 1.103 59.060 58.200 -0.405 0.000 0.999 279 S CB -0.295 62.334 63.200 -0.952 0.000 0.844 279 S HN 0.365 nan 8.310 nan 0.000 0.459 280 I N 1.236 121.693 120.570 -0.189 0.000 2.252 280 I HA -0.112 4.058 4.170 -0.000 0.000 0.245 280 I C 2.627 178.652 176.117 -0.154 0.000 1.102 280 I CA 1.103 62.312 61.300 -0.153 0.000 1.385 280 I CB -0.664 37.322 38.000 -0.023 0.000 1.064 280 I HN 0.368 nan 8.210 nan 0.000 0.414 281 G N 0.338 109.123 108.800 -0.024 0.000 2.408 281 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.217 281 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.217 281 G C 1.584 176.586 174.900 0.171 0.000 1.150 281 G CA 0.350 45.484 45.100 0.056 0.000 0.776 281 G HN 0.310 nan 8.290 nan 0.000 0.542 282 F N 1.259 121.244 119.950 0.058 0.000 2.051 282 F HA 0.029 4.556 4.527 -0.000 0.000 0.296 282 F C 2.499 178.370 175.800 0.118 0.000 1.122 282 F CA 1.251 59.326 58.000 0.125 0.000 1.201 282 F CB -0.302 38.718 39.000 0.035 0.000 0.978 282 F HN 0.017 nan 8.300 nan 0.000 0.472 283 L N 0.173 121.474 121.223 0.129 0.000 2.189 283 L HA -0.220 4.120 4.340 -0.000 0.000 0.214 283 L C 2.614 179.388 176.870 -0.161 0.000 1.097 283 L CA 1.219 56.050 54.840 -0.016 0.000 0.764 283 L CB -1.515 40.538 42.059 -0.011 0.000 0.900 283 L HN 0.405 nan 8.230 nan 0.000 0.436 284 G N -1.098 107.551 108.800 -0.252 0.000 2.559 284 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 284 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 284 G C 1.184 175.913 174.900 -0.284 0.000 1.126 284 G CA 0.198 45.100 45.100 -0.331 0.000 0.778 284 G HN 0.298 nan 8.290 nan 0.000 0.543 285 F N 0.015 119.864 119.950 -0.168 0.000 2.749 285 F HA 0.306 4.833 4.527 -0.000 0.000 0.300 285 F C 1.792 177.610 175.800 0.029 0.000 1.103 285 F CA -0.114 57.761 58.000 -0.208 0.000 1.342 285 F CB 0.450 39.291 39.000 -0.265 0.000 1.098 285 F HN 0.205 nan 8.300 nan 0.000 0.586 286 I N -2.100 118.591 120.570 0.202 0.000 3.707 286 I HA 0.259 4.429 4.170 -0.000 0.000 0.330 286 I C 0.374 176.670 176.117 0.298 0.000 1.572 286 I CA -0.032 61.481 61.300 0.355 0.000 1.104 286 I CB 0.198 38.305 38.000 0.178 0.000 1.240 286 I HN -0.101 nan 8.210 nan 0.000 0.475 287 V N -3.514 116.551 119.914 0.251 0.000 3.398 287 V HA 0.217 4.337 4.120 -0.000 0.000 0.298 287 V C 1.639 177.525 176.094 -0.347 0.000 1.496 287 V CA -0.114 62.202 62.300 0.026 0.000 1.044 287 V CB -0.849 30.833 31.823 -0.234 0.000 0.880 287 V HN 0.686 nan 8.190 nan 0.000 0.443 288 W N 2.055 123.283 121.300 -0.120 0.000 2.421 288 W HA 0.204 4.864 4.660 -0.000 0.000 0.270 288 W C 1.722 177.970 176.519 -0.452 0.000 1.233 288 W CA 1.384 58.604 57.345 -0.208 0.000 1.226 288 W CB -0.670 28.856 29.460 0.109 0.000 1.121 288 W HN 0.235 nan 8.180 nan 0.000 0.579 289 A N 1.726 123.502 122.820 -1.739 0.000 2.238 289 A HA -0.086 4.234 4.320 -0.000 0.000 0.208 289 A C 1.788 178.525 177.584 -1.413 0.000 1.177 289 A CA 0.906 51.998 52.037 -1.574 0.000 0.804 289 A CB -1.769 16.038 19.000 -1.988 0.000 0.823 289 A HN 0.781 nan 8.150 nan 0.000 0.482 290 H N -2.502 115.786 119.070 -1.304 0.000 2.560 290 H HA -0.052 4.504 4.556 -0.000 0.000 0.283 290 H C 0.784 175.231 175.328 -1.469 0.000 1.028 290 H CA 1.005 55.973 56.048 -1.800 0.000 1.221 290 H CB -0.362 28.794 29.762 -1.010 0.000 1.363 290 H HN 0.661 nan 8.280 nan 0.000 0.594 291 H N 0.400 119.026 119.070 -0.739 0.000 2.539 291 H HA 0.182 4.738 4.556 -0.000 0.000 0.267 291 H C 0.586 175.556 175.328 -0.596 0.000 0.982 291 H CA 0.449 56.007 56.048 -0.816 0.000 1.146 291 H CB 0.444 29.133 29.762 -1.788 0.000 1.382 291 H HN 0.505 nan 8.280 nan 0.000 0.577 292 M N -0.663 118.606 119.600 -0.552 0.000 3.039 292 M HA 0.090 4.570 4.480 -0.000 0.000 0.442 292 M C 0.075 176.227 176.300 -0.247 0.000 1.408 292 M CA -0.154 54.940 55.300 -0.344 0.000 0.804 292 M CB 0.621 33.052 32.600 -0.283 0.000 1.471 292 M HN -0.099 nan 8.290 nan 0.000 0.516 293 F N 1.040 120.805 119.950 -0.308 0.000 2.546 293 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 293 F C 2.377 178.059 175.800 -0.196 0.000 1.120 293 F CA 1.338 59.205 58.000 -0.223 0.000 1.456 293 F CB -0.566 38.317 39.000 -0.194 0.000 1.088 293 F HN 0.250 nan 8.300 nan 0.000 0.572 294 T N -3.807 110.690 114.554 -0.095 0.000 3.129 294 T HA 0.183 4.533 4.350 -0.000 0.000 0.267 294 T C 1.406 176.088 174.700 -0.030 0.000 1.018 294 T CA 0.622 62.687 62.100 -0.058 0.000 0.903 294 T CB -0.639 68.190 68.868 -0.065 0.000 1.067 294 T HN 0.068 nan 8.240 nan 0.000 0.549 295 V N -1.685 118.206 119.914 -0.038 0.000 3.461 295 V HA 0.589 4.709 4.120 -0.000 0.000 0.267 295 V C 1.328 177.434 176.094 0.020 0.000 1.186 295 V CA 0.330 62.623 62.300 -0.011 0.000 1.154 295 V CB -1.136 30.662 31.823 -0.041 0.000 0.802 295 V HN 0.823 nan 8.190 nan 0.000 0.474 296 G N 0.251 109.068 108.800 0.029 0.000 2.754 296 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.215 296 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.215 296 G C -0.565 174.370 174.900 0.057 0.000 1.121 296 G CA 0.109 45.234 45.100 0.042 0.000 0.954 296 G HN 0.466 nan 8.290 nan 0.000 0.511 297 M N 0.424 120.064 119.600 0.067 0.000 2.537 297 M HA 0.406 4.886 4.480 -0.000 0.000 0.324 297 M C -0.081 176.270 176.300 0.085 0.000 1.187 297 M CA -0.877 54.480 55.300 0.095 0.000 0.993 297 M CB 0.964 33.639 32.600 0.124 0.000 1.666 297 M HN 0.187 nan 8.290 nan 0.000 0.461 298 D N 1.128 121.585 120.400 0.095 0.000 2.400 298 D HA -0.039 4.601 4.640 -0.000 0.000 0.238 298 D C 0.823 177.165 176.300 0.070 0.000 1.157 298 D CA 0.056 54.101 54.000 0.075 0.000 0.889 298 D CB 1.138 41.986 40.800 0.080 0.000 1.199 298 D HN 0.377 nan 8.370 nan 0.000 0.436 299 V N 1.773 121.714 119.914 0.044 0.000 2.427 299 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 299 V C 1.227 177.348 176.094 0.045 0.000 1.051 299 V CA 1.841 64.156 62.300 0.025 0.000 1.048 299 V CB -0.112 31.716 31.823 0.007 0.000 0.666 299 V HN 0.401 nan 8.190 nan 0.000 0.456 300 D N -0.364 120.071 120.400 0.058 0.000 2.117 300 D HA -0.132 4.508 4.640 -0.000 0.000 0.198 300 D C 2.244 178.623 176.300 0.132 0.000 0.982 300 D CA 1.903 55.947 54.000 0.073 0.000 0.828 300 D CB -0.663 40.171 40.800 0.055 0.000 0.967 300 D HN 0.447 nan 8.370 nan 0.000 0.464 301 T N 1.108 115.761 114.554 0.165 0.000 2.665 301 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 301 T C 1.988 176.933 174.700 0.408 0.000 1.035 301 T CA 1.159 63.438 62.100 0.297 0.000 1.151 301 T CB -0.092 68.949 68.868 0.287 0.000 0.862 301 T HN 0.174 nan 8.240 nan 0.000 0.438 302 R N 0.727 121.378 120.500 0.251 0.000 2.096 302 R HA 0.007 4.347 4.340 -0.000 0.000 0.235 302 R C 2.811 179.155 176.300 0.074 0.000 1.127 302 R CA 1.270 57.469 56.100 0.164 0.000 0.968 302 R CB -0.453 29.798 30.300 -0.081 0.000 0.861 302 R HN 0.382 nan 8.270 nan 0.000 0.440 303 A N 0.480 123.333 122.820 0.055 0.000 1.898 303 A HA -0.216 4.104 4.320 -0.000 0.000 0.216 303 A C 1.979 179.572 177.584 0.016 0.000 1.181 303 A CA 1.208 53.249 52.037 0.007 0.000 0.620 303 A CB -0.656 18.355 19.000 0.019 0.000 0.819 303 A HN 0.478 nan 8.150 nan 0.000 0.442 304 Y N -0.576 119.722 120.300 -0.003 0.000 2.133 304 Y HA -0.178 4.372 4.550 -0.000 0.000 0.287 304 Y C 1.902 177.733 175.900 -0.116 0.000 1.134 304 Y CA 1.815 59.853 58.100 -0.104 0.000 1.133 304 Y CB -0.662 37.668 38.460 -0.216 0.000 0.987 304 Y HN 0.230 nan 8.280 nan 0.000 0.502 305 F N 0.468 120.226 119.950 -0.319 0.000 2.216 305 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 305 F C 2.492 178.234 175.800 -0.097 0.000 1.085 305 F CA 1.980 59.786 58.000 -0.324 0.000 1.326 305 F CB -1.081 37.905 39.000 -0.023 0.000 1.027 305 F HN 0.029 nan 8.300 nan 0.000 0.497 306 T N -0.974 113.688 114.554 0.180 0.000 2.652 306 T HA -0.191 4.159 4.350 -0.000 0.000 0.267 306 T C 2.273 176.944 174.700 -0.048 0.000 1.039 306 T CA 1.905 64.049 62.100 0.073 0.000 1.153 306 T CB -0.481 68.345 68.868 -0.070 0.000 0.863 306 T HN 0.183 nan 8.240 nan 0.000 0.428 307 S N 1.163 116.778 115.700 -0.141 0.000 2.368 307 S HA 0.042 4.512 4.470 -0.000 0.000 0.224 307 S C 2.560 177.059 174.600 -0.168 0.000 1.029 307 S CA 0.874 58.997 58.200 -0.128 0.000 0.988 307 S CB -0.512 62.621 63.200 -0.112 0.000 0.838 307 S HN 0.568 nan 8.310 nan 0.000 0.462 308 A N 1.443 124.042 122.820 -0.368 0.000 1.902 308 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 308 A C 2.316 179.818 177.584 -0.135 0.000 1.181 308 A CA 1.992 53.844 52.037 -0.307 0.000 0.623 308 A CB -1.376 17.239 19.000 -0.642 0.000 0.818 308 A HN 0.459 nan 8.150 nan 0.000 0.443 309 T N 0.229 114.734 114.554 -0.080 0.000 2.684 309 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 309 T C 1.929 176.640 174.700 0.018 0.000 1.036 309 T CA 1.870 63.990 62.100 0.034 0.000 1.148 309 T CB -0.344 68.617 68.868 0.155 0.000 0.863 309 T HN 0.442 nan 8.240 nan 0.000 0.436 310 M N 0.105 119.704 119.600 -0.002 0.000 2.213 310 M HA -0.013 4.467 4.480 -0.000 0.000 0.263 310 M C 2.188 178.501 176.300 0.022 0.000 1.062 310 M CA 1.435 56.739 55.300 0.007 0.000 1.105 310 M CB -0.584 32.012 32.600 -0.006 0.000 1.385 310 M HN 0.222 nan 8.290 nan 0.000 0.417 311 I N 0.378 120.957 120.570 0.014 0.000 2.423 311 I HA -0.297 3.873 4.170 -0.000 0.000 0.254 311 I C 2.079 178.222 176.117 0.042 0.000 1.151 311 I CA 1.079 62.400 61.300 0.034 0.000 1.421 311 I CB -0.267 37.753 38.000 0.034 0.000 1.079 311 I HN 0.272 nan 8.210 nan 0.000 0.431 312 I N 0.692 121.283 120.570 0.034 0.000 2.530 312 I HA -0.307 3.863 4.170 -0.000 0.000 0.257 312 I C 2.659 178.822 176.117 0.077 0.000 1.179 312 I CA 1.077 62.401 61.300 0.041 0.000 1.440 312 I CB -0.523 37.517 38.000 0.066 0.000 1.087 312 I HN 0.223 nan 8.210 nan 0.000 0.440 313 A N 1.048 123.916 122.820 0.080 0.000 2.019 313 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 313 A C 2.241 179.874 177.584 0.081 0.000 1.164 313 A CA 1.217 53.304 52.037 0.084 0.000 0.644 313 A CB -0.547 18.492 19.000 0.065 0.000 0.805 313 A HN 0.378 nan 8.150 nan 0.000 0.449 314 I N 0.450 121.075 120.570 0.093 0.000 2.090 314 I HA -0.146 4.024 4.170 -0.000 0.000 0.236 314 I C -0.262 175.947 176.117 0.154 0.000 1.064 314 I CA 1.499 62.882 61.300 0.139 0.000 1.324 314 I CB -1.102 37.002 38.000 0.174 0.000 1.044 314 I HN 0.232 nan 8.210 nan 0.000 0.399 315 P HA -0.117 nan 4.420 nan 0.000 0.218 315 P C 1.509 178.779 177.300 -0.051 0.000 1.149 315 P CA 1.586 64.659 63.100 -0.045 0.000 0.817 315 P CB -0.238 31.186 31.700 -0.459 0.000 0.785 316 T N -0.296 114.250 114.554 -0.014 0.000 2.821 316 T HA -0.047 4.303 4.350 -0.000 0.000 0.267 316 T C 2.151 176.766 174.700 -0.142 0.000 1.046 316 T CA 1.718 63.806 62.100 -0.020 0.000 1.139 316 T CB -1.047 67.942 68.868 0.201 0.000 0.871 316 T HN 0.197 nan 8.240 nan 0.000 0.454 317 G N 1.015 109.748 108.800 -0.111 0.000 2.408 317 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.217 317 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.217 317 G C 1.685 176.359 174.900 -0.376 0.000 1.150 317 G CA 0.627 45.521 45.100 -0.344 0.000 0.776 317 G HN 0.421 nan 8.290 nan 0.000 0.542 318 V N 0.984 120.865 119.914 -0.055 0.000 2.332 318 V HA -0.220 3.900 4.120 -0.000 0.000 0.248 318 V C 2.829 178.809 176.094 -0.190 0.000 1.055 318 V CA 2.292 64.619 62.300 0.045 0.000 1.038 318 V CB -0.407 31.545 31.823 0.214 0.000 0.651 318 V HN 0.408 nan 8.190 nan 0.000 0.450 319 K N -0.271 119.872 120.400 -0.428 0.000 2.032 319 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 319 K C 2.083 177.991 176.600 -1.155 0.000 1.048 319 K CA 1.591 57.319 56.287 -0.932 0.000 0.927 319 K CB -0.570 31.170 32.500 -1.267 0.000 0.712 319 K HN 0.358 nan 8.250 nan 0.000 0.441 320 V N 1.232 120.705 119.914 -0.735 0.000 2.295 320 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 320 V C 2.094 178.110 176.094 -0.129 0.000 1.049 320 V CA 1.799 63.931 62.300 -0.279 0.000 1.024 320 V CB -0.629 31.051 31.823 -0.238 0.000 0.648 320 V HN 0.225 nan 8.190 nan 0.000 0.447 321 F N 0.198 120.124 119.950 -0.039 0.000 2.269 321 F HA -0.141 4.386 4.527 -0.000 0.000 0.301 321 F C 2.565 178.308 175.800 -0.095 0.000 1.082 321 F CA 1.078 59.054 58.000 -0.040 0.000 1.360 321 F CB -0.304 38.670 39.000 -0.044 0.000 1.041 321 F HN 0.089 nan 8.300 nan 0.000 0.512 322 S N -1.140 114.562 115.700 0.002 0.000 2.436 322 S HA -0.105 4.365 4.470 -0.000 0.000 0.228 322 S C 1.599 176.249 174.600 0.082 0.000 1.014 322 S CA 0.382 58.607 58.200 0.042 0.000 0.950 322 S CB -0.214 63.026 63.200 0.067 0.000 0.784 322 S HN 0.391 nan 8.310 nan 0.000 0.504 323 W N 2.011 123.364 121.300 0.088 0.000 2.409 323 W HA 0.153 4.813 4.660 -0.000 0.000 0.299 323 W C 1.838 178.397 176.519 0.066 0.000 1.203 323 W CA 0.122 57.515 57.345 0.081 0.000 1.298 323 W CB -1.201 28.308 29.460 0.081 0.000 1.127 323 W HN 0.298 nan 8.180 nan 0.000 0.528 324 L N 0.347 121.745 121.223 0.292 0.000 2.042 324 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 324 L C 2.589 179.496 176.870 0.062 0.000 1.076 324 L CA 1.667 56.612 54.840 0.175 0.000 0.749 324 L CB -1.486 40.683 42.059 0.183 0.000 0.893 324 L HN -0.143 nan 8.230 nan 0.000 0.432 325 A N -0.639 122.132 122.820 -0.082 0.000 2.067 325 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 325 A C 2.320 179.877 177.584 -0.046 0.000 1.158 325 A CA 1.982 53.827 52.037 -0.321 0.000 0.661 325 A CB -0.678 17.618 19.000 -1.173 0.000 0.801 325 A HN 0.400 nan 8.150 nan 0.000 0.452 326 T N 0.278 114.908 114.554 0.127 0.000 2.942 326 T HA 0.026 4.376 4.350 -0.000 0.000 0.265 326 T C 1.724 176.504 174.700 0.134 0.000 1.062 326 T CA 1.093 63.316 62.100 0.206 0.000 1.139 326 T CB -0.283 68.744 68.868 0.266 0.000 0.883 326 T HN 0.395 nan 8.240 nan 0.000 0.468 327 L N 0.296 121.590 121.223 0.117 0.000 2.131 327 L HA -0.007 4.333 4.340 -0.000 0.000 0.210 327 L C 1.356 178.270 176.870 0.073 0.000 1.092 327 L CA 0.580 55.456 54.840 0.060 0.000 0.759 327 L CB -0.730 41.358 42.059 0.049 0.000 0.903 327 L HN 0.330 nan 8.230 nan 0.000 0.435 328 H N 0.562 119.626 119.070 -0.010 0.000 3.004 328 H HA 0.237 4.793 4.556 -0.000 0.000 0.316 328 H C 1.107 176.433 175.328 -0.004 0.000 1.014 328 H CA 0.317 56.352 56.048 -0.020 0.000 1.454 328 H CB 0.498 30.224 29.762 -0.060 0.000 1.472 328 H HN 0.280 nan 8.280 nan 0.000 0.571 329 G N 2.807 111.358 108.800 -0.414 0.000 2.205 329 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.261 329 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.261 329 G C 0.746 175.561 174.900 -0.141 0.000 0.980 329 G CA 0.342 45.238 45.100 -0.340 0.000 0.632 329 G HN 1.046 nan 8.290 nan 0.000 0.533 330 G N -0.344 108.404 108.800 -0.087 0.000 2.572 330 G HA2 0.418 4.378 3.960 -0.000 0.000 0.261 330 G HA3 0.418 4.378 3.960 -0.000 0.000 0.261 330 G C 0.018 174.880 174.900 -0.064 0.000 1.197 330 G CA 0.257 45.318 45.100 -0.066 0.000 0.870 330 G HN 0.542 nan 8.290 nan 0.000 0.548 331 N N 0.775 119.437 118.700 -0.063 0.000 2.482 331 N HA 0.073 4.813 4.740 -0.000 0.000 0.242 331 N C 0.055 175.528 175.510 -0.062 0.000 1.100 331 N CA -0.581 52.440 53.050 -0.048 0.000 0.946 331 N CB 0.061 38.519 38.487 -0.049 0.000 1.227 331 N HN 0.110 nan 8.380 nan 0.000 0.508 332 I N 2.206 122.732 120.570 -0.074 0.000 2.452 332 I HA 0.045 4.215 4.170 -0.000 0.000 0.287 332 I C 0.782 176.807 176.117 -0.153 0.000 1.079 332 I CA -0.301 60.880 61.300 -0.198 0.000 1.387 332 I CB 0.093 37.856 38.000 -0.396 0.000 1.404 332 I HN 0.446 nan 8.210 nan 0.000 0.522 333 K N 6.697 127.035 120.400 -0.104 0.000 2.267 333 K HA 0.142 4.462 4.320 -0.000 0.000 0.282 333 K C -0.669 175.862 176.600 -0.114 0.000 1.078 333 K CA -0.196 56.099 56.287 0.013 0.000 0.903 333 K CB 0.278 32.876 32.500 0.164 0.000 1.111 333 K HN 0.379 nan 8.250 nan 0.000 0.475 334 W N 4.908 126.175 121.300 -0.055 0.000 1.992 334 W HA 0.092 4.752 4.660 -0.000 0.000 0.449 334 W C 0.290 176.692 176.519 -0.195 0.000 0.617 334 W CA -0.448 56.817 57.345 -0.134 0.000 2.341 334 W CB -0.489 28.901 29.460 -0.117 0.000 1.156 334 W HN 0.576 nan 8.180 nan 0.000 0.538 335 S N 0.100 115.698 115.700 -0.171 0.000 2.608 335 S HA 0.235 4.705 4.470 -0.000 0.000 0.261 335 S C -1.278 173.145 174.600 -0.294 0.000 1.314 335 S CA -1.019 57.028 58.200 -0.255 0.000 0.992 335 S CB 1.207 64.085 63.200 -0.536 0.000 0.935 335 S HN 0.002 nan 8.310 nan 0.000 0.564 336 P HA 0.024 nan 4.420 nan 0.000 0.218 336 P C 1.523 178.744 177.300 -0.132 0.000 1.149 336 P CA 1.665 64.671 63.100 -0.156 0.000 0.817 336 P CB -0.395 31.341 31.700 0.060 0.000 0.785 337 A N -0.233 122.484 122.820 -0.172 0.000 1.908 337 A HA -0.221 4.099 4.320 -0.000 0.000 0.218 337 A C 2.280 179.691 177.584 -0.287 0.000 1.181 337 A CA 2.383 54.342 52.037 -0.129 0.000 0.627 337 A CB -1.489 17.357 19.000 -0.257 0.000 0.818 337 A HN 0.128 nan 8.150 nan 0.000 0.445 338 M N -0.314 118.915 119.600 -0.617 0.000 2.117 338 M HA -0.106 4.374 4.480 -0.000 0.000 0.262 338 M C 2.032 178.122 176.300 -0.349 0.000 1.065 338 M CA 1.909 56.940 55.300 -0.449 0.000 1.114 338 M CB -0.638 31.654 32.600 -0.513 0.000 1.361 338 M HN 0.443 nan 8.290 nan 0.000 0.408 339 M N -1.926 117.377 119.600 -0.495 0.000 2.117 339 M HA -0.195 4.285 4.480 -0.000 0.000 0.262 339 M C 1.962 177.771 176.300 -0.818 0.000 1.065 339 M CA 1.898 56.704 55.300 -0.824 0.000 1.114 339 M CB -0.812 30.952 32.600 -1.394 0.000 1.361 339 M HN 0.369 nan 8.290 nan 0.000 0.408 340 W N 0.564 121.567 121.300 -0.494 0.000 2.321 340 W HA -0.189 4.471 4.660 -0.000 0.000 0.306 340 W C 2.738 179.366 176.519 0.181 0.000 1.217 340 W CA 1.247 58.575 57.345 -0.027 0.000 1.257 340 W CB -0.483 28.968 29.460 -0.014 0.000 1.145 340 W HN 0.240 nan 8.180 nan 0.000 0.509 341 A N -0.321 122.627 122.820 0.214 0.000 1.968 341 A HA -0.071 4.249 4.320 -0.000 0.000 0.217 341 A C 1.910 179.612 177.584 0.197 0.000 1.169 341 A CA 1.085 53.200 52.037 0.131 0.000 0.638 341 A CB -0.814 18.137 19.000 -0.081 0.000 0.812 341 A HN 0.289 nan 8.150 nan 0.000 0.446 342 L N -0.871 120.430 121.223 0.130 0.000 2.109 342 L HA -0.043 4.297 4.340 -0.000 0.000 0.207 342 L C 2.755 179.859 176.870 0.391 0.000 1.086 342 L CA 0.973 55.920 54.840 0.178 0.000 0.760 342 L CB -0.636 41.456 42.059 0.055 0.000 0.910 342 L HN 0.470 nan 8.230 nan 0.000 0.437 343 G N -0.449 108.681 108.800 0.549 0.000 2.422 343 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.218 343 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.218 343 G C 1.474 176.799 174.900 0.707 0.000 1.140 343 G CA 0.243 45.854 45.100 0.852 0.000 0.775 343 G HN 0.273 nan 8.290 nan 0.000 0.545 344 F N 1.556 121.841 119.950 0.557 0.000 2.102 344 F HA -0.030 4.497 4.527 -0.000 0.000 0.298 344 F C 2.424 178.394 175.800 0.283 0.000 1.105 344 F CA 1.207 59.415 58.000 0.348 0.000 1.239 344 F CB -0.195 38.965 39.000 0.267 0.000 0.991 344 F HN 0.101 nan 8.300 nan 0.000 0.474 345 I N -0.791 120.104 120.570 0.541 0.000 2.163 345 I HA -0.313 3.857 4.170 -0.000 0.000 0.243 345 I C 2.341 178.702 176.117 0.407 0.000 1.085 345 I CA 1.588 63.172 61.300 0.473 0.000 1.347 345 I CB -0.645 37.601 38.000 0.410 0.000 1.044 345 I HN 0.229 nan 8.210 nan 0.000 0.408 346 F N 1.457 121.561 119.950 0.256 0.000 2.128 346 F HA -0.084 4.443 4.527 -0.000 0.000 0.295 346 F C 2.136 178.029 175.800 0.155 0.000 1.100 346 F CA 1.510 59.637 58.000 0.213 0.000 1.260 346 F CB -0.395 38.754 39.000 0.248 0.000 1.009 346 F HN -0.147 nan 8.300 nan 0.000 0.476 347 L N -1.144 120.016 121.223 -0.104 0.000 2.109 347 L HA -0.152 4.188 4.340 -0.000 0.000 0.207 347 L C 2.427 179.162 176.870 -0.226 0.000 1.086 347 L CA 1.215 55.902 54.840 -0.254 0.000 0.760 347 L CB -0.915 40.985 42.059 -0.266 0.000 0.910 347 L HN 0.194 nan 8.230 nan 0.000 0.437 348 F N 0.817 120.525 119.950 -0.403 0.000 2.126 348 F HA -0.258 4.269 4.527 -0.000 0.000 0.299 348 F C 2.435 178.130 175.800 -0.175 0.000 1.096 348 F CA 1.985 59.749 58.000 -0.394 0.000 1.255 348 F CB -0.257 38.326 39.000 -0.695 0.000 0.997 348 F HN -0.083 nan 8.300 nan 0.000 0.479 349 T N 0.166 114.647 114.554 -0.122 0.000 2.746 349 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 349 T C 2.134 176.664 174.700 -0.283 0.000 1.039 349 T CA 1.523 63.540 62.100 -0.140 0.000 1.142 349 T CB -0.555 68.340 68.868 0.045 0.000 0.866 349 T HN 0.121 nan 8.240 nan 0.000 0.444 350 V N 1.424 121.109 119.914 -0.381 0.000 2.252 350 V HA -0.177 3.943 4.120 -0.000 0.000 0.249 350 V C 2.864 178.738 176.094 -0.367 0.000 1.056 350 V CA 2.185 64.233 62.300 -0.420 0.000 1.022 350 V CB -1.379 30.085 31.823 -0.599 0.000 0.641 350 V HN 0.598 nan 8.190 nan 0.000 0.445 351 G N -0.381 108.216 108.800 -0.337 0.000 2.422 351 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 351 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 351 G C 1.606 176.383 174.900 -0.205 0.000 1.146 351 G CA 0.964 45.918 45.100 -0.244 0.000 0.769 351 G HN 0.616 nan 8.290 nan 0.000 0.547 352 G N 0.884 109.414 108.800 -0.450 0.000 2.418 352 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.217 352 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.217 352 G C 1.810 176.629 174.900 -0.136 0.000 1.158 352 G CA 0.729 45.640 45.100 -0.314 0.000 0.771 352 G HN 0.425 nan 8.290 nan 0.000 0.545 353 L N 1.181 122.311 121.223 -0.156 0.000 2.042 353 L HA -0.110 4.230 4.340 -0.000 0.000 0.210 353 L C 3.269 180.095 176.870 -0.075 0.000 1.076 353 L CA 1.810 56.592 54.840 -0.097 0.000 0.749 353 L CB -0.939 41.062 42.059 -0.096 0.000 0.893 353 L HN 0.410 nan 8.230 nan 0.000 0.432 354 T N -3.519 110.987 114.554 -0.080 0.000 3.051 354 T HA -0.043 4.307 4.350 -0.000 0.000 0.269 354 T C 1.791 176.424 174.700 -0.111 0.000 1.127 354 T CA 0.755 62.844 62.100 -0.018 0.000 1.107 354 T CB -0.471 68.326 68.868 -0.119 0.000 0.898 354 T HN 0.412 nan 8.240 nan 0.000 0.517 355 G N 1.539 110.202 108.800 -0.228 0.000 2.408 355 G HA2 0.025 3.985 3.960 -0.000 0.000 0.215 355 G HA3 0.025 3.985 3.960 -0.000 0.000 0.215 355 G C 1.423 176.163 174.900 -0.267 0.000 1.156 355 G CA 0.268 45.022 45.100 -0.576 0.000 0.793 355 G HN 0.451 nan 8.290 nan 0.000 0.535 356 I N 1.083 121.578 120.570 -0.125 0.000 2.315 356 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 356 I C 2.905 178.981 176.117 -0.068 0.000 1.117 356 I CA 0.621 61.877 61.300 -0.073 0.000 1.404 356 I CB -0.838 37.141 38.000 -0.035 0.000 1.071 356 I HN 0.012 nan 8.210 nan 0.000 0.419 357 V N 1.129 121.012 119.914 -0.051 0.000 2.287 357 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 357 V C 2.554 178.598 176.094 -0.082 0.000 1.053 357 V CA 1.626 63.896 62.300 -0.049 0.000 1.027 357 V CB -0.531 31.303 31.823 0.017 0.000 0.646 357 V HN 0.335 nan 8.190 nan 0.000 0.447 358 L N -0.077 121.094 121.223 -0.087 0.000 2.201 358 L HA -0.074 4.266 4.340 -0.000 0.000 0.212 358 L C 2.595 179.434 176.870 -0.051 0.000 1.105 358 L CA 1.100 55.883 54.840 -0.096 0.000 0.775 358 L CB -0.663 41.294 42.059 -0.171 0.000 0.913 358 L HN 0.357 nan 8.230 nan 0.000 0.440 359 A N -0.498 122.274 122.820 -0.080 0.000 2.070 359 A HA -0.126 4.194 4.320 -0.000 0.000 0.220 359 A C 0.967 178.583 177.584 0.053 0.000 1.159 359 A CA 0.825 52.875 52.037 0.022 0.000 0.656 359 A CB -0.569 18.417 19.000 -0.023 0.000 0.800 359 A HN 0.413 nan 8.150 nan 0.000 0.453 360 N N 1.279 119.947 118.700 -0.054 0.000 2.402 360 N HA 0.074 4.814 4.740 -0.000 0.000 0.259 360 N C 1.160 176.515 175.510 -0.259 0.000 1.167 360 N CA 0.695 53.658 53.050 -0.144 0.000 0.949 360 N CB 1.011 39.428 38.487 -0.117 0.000 1.212 360 N HN 0.536 nan 8.380 nan 0.000 0.493 361 S N 0.933 116.292 115.700 -0.568 0.000 2.419 361 S HA -0.149 4.321 4.470 -0.000 0.000 0.235 361 S C 1.857 176.194 174.600 -0.437 0.000 1.019 361 S CA 0.861 58.485 58.200 -0.961 0.000 0.982 361 S CB 0.013 62.261 63.200 -1.587 0.000 0.789 361 S HN 0.372 nan 8.310 nan 0.000 0.490 362 S N 1.913 117.435 115.700 -0.296 0.000 2.356 362 S HA 0.133 4.603 4.470 -0.000 0.000 0.223 362 S C 1.769 176.287 174.600 -0.138 0.000 1.032 362 S CA 1.311 59.404 58.200 -0.179 0.000 1.005 362 S CB -0.498 62.618 63.200 -0.139 0.000 0.867 362 S HN 0.470 nan 8.310 nan 0.000 0.449 363 L N 0.885 122.025 121.223 -0.139 0.000 2.156 363 L HA -0.080 4.260 4.340 -0.000 0.000 0.208 363 L C 2.175 178.977 176.870 -0.113 0.000 1.095 363 L CA 1.104 55.867 54.840 -0.129 0.000 0.770 363 L CB -0.410 41.557 42.059 -0.153 0.000 0.914 363 L HN 0.277 nan 8.230 nan 0.000 0.439 364 D N 0.097 120.442 120.400 -0.092 0.000 2.264 364 D HA -0.180 4.460 4.640 -0.000 0.000 0.208 364 D C 2.148 178.472 176.300 0.040 0.000 0.966 364 D CA 0.661 54.662 54.000 0.001 0.000 0.864 364 D CB 0.241 41.120 40.800 0.130 0.000 0.933 364 D HN 0.053 nan 8.370 nan 0.000 0.499 365 I N 0.406 120.967 120.570 -0.016 0.000 2.145 365 I HA -0.242 3.928 4.170 -0.000 0.000 0.244 365 I C 2.320 178.459 176.117 0.036 0.000 1.075 365 I CA 0.932 62.240 61.300 0.013 0.000 1.332 365 I CB -1.284 36.704 38.000 -0.021 0.000 1.033 365 I HN 0.078 nan 8.210 nan 0.000 0.410 366 V N 0.221 120.132 119.914 -0.005 0.000 2.788 366 V HA -0.085 4.035 4.120 -0.000 0.000 0.251 366 V C 2.273 178.359 176.094 -0.012 0.000 1.068 366 V CA 0.922 63.217 62.300 -0.008 0.000 1.090 366 V CB -0.167 31.633 31.823 -0.039 0.000 0.710 366 V HN 0.327 nan 8.190 nan 0.000 0.467 367 L N -1.281 119.926 121.223 -0.027 0.000 2.513 367 L HA 0.208 4.548 4.340 -0.000 0.000 0.222 367 L C 1.161 178.048 176.870 0.029 0.000 1.096 367 L CA -0.080 54.733 54.840 -0.045 0.000 0.857 367 L CB -0.254 41.699 42.059 -0.177 0.000 1.026 367 L HN 0.384 nan 8.230 nan 0.000 0.469 368 H N 0.975 120.044 119.070 -0.002 0.000 2.928 368 H HA -0.067 4.489 4.556 -0.000 0.000 0.338 368 H C 0.449 175.790 175.328 0.022 0.000 1.047 368 H CA 0.535 56.595 56.048 0.021 0.000 1.435 368 H CB 0.271 30.055 29.762 0.038 0.000 1.428 368 H HN 0.099 nan 8.280 nan 0.000 0.590 369 D N 2.118 122.089 120.400 -0.714 0.000 3.012 369 D HA -0.204 4.436 4.640 -0.000 0.000 0.222 369 D C -0.280 175.879 176.300 -0.236 0.000 1.167 369 D CA 1.482 55.188 54.000 -0.490 0.000 0.854 369 D CB -0.929 39.580 40.800 -0.485 0.000 1.107 369 D HN 0.776 nan 8.370 nan 0.000 0.421 370 T N -4.196 110.261 114.554 -0.161 0.000 2.905 370 T HA 0.436 4.785 4.350 -0.000 0.000 0.283 370 T C 1.067 175.689 174.700 -0.130 0.000 1.031 370 T CA -0.702 61.334 62.100 -0.108 0.000 1.002 370 T CB 0.819 69.676 68.868 -0.019 0.000 1.200 370 T HN -0.058 nan 8.240 nan 0.000 0.560 371 Y N -0.697 119.545 120.300 -0.095 0.000 2.639 371 Y HA 0.034 4.584 4.550 -0.000 0.000 0.297 371 Y C 1.961 177.793 175.900 -0.112 0.000 1.151 371 Y CA 0.762 58.797 58.100 -0.108 0.000 1.335 371 Y CB -0.437 37.938 38.460 -0.143 0.000 0.994 371 Y HN 0.807 nan 8.280 nan 0.000 0.548 372 Y N -1.065 119.189 120.300 -0.076 0.000 2.293 372 Y HA -0.215 4.335 4.550 -0.000 0.000 0.291 372 Y C 2.110 177.937 175.900 -0.121 0.000 1.137 372 Y CA 1.278 59.313 58.100 -0.108 0.000 1.202 372 Y CB -0.168 38.257 38.460 -0.058 0.000 0.990 372 Y HN -0.095 nan 8.280 nan 0.000 0.537 373 V N -1.392 118.557 119.914 0.058 0.000 2.379 373 V HA -0.258 3.862 4.120 -0.000 0.000 0.245 373 V C 2.205 178.210 176.094 -0.148 0.000 1.044 373 V CA 1.587 63.940 62.300 0.088 0.000 1.036 373 V CB -0.684 31.217 31.823 0.131 0.000 0.664 373 V HN 0.263 nan 8.190 nan 0.000 0.453 374 V N 0.567 120.246 119.914 -0.390 0.000 2.343 374 V HA -0.251 3.869 4.120 -0.000 0.000 0.247 374 V C 2.749 178.420 176.094 -0.705 0.000 1.051 374 V CA 1.969 63.760 62.300 -0.848 0.000 1.036 374 V CB -1.242 30.187 31.823 -0.657 0.000 0.654 374 V HN 0.542 nan 8.190 nan 0.000 0.451 375 A N 0.223 122.770 122.820 -0.455 0.000 1.883 375 A HA -0.336 3.984 4.320 -0.000 0.000 0.217 375 A C 2.143 179.458 177.584 -0.449 0.000 1.186 375 A CA 2.522 54.255 52.037 -0.508 0.000 0.624 375 A CB -0.967 17.449 19.000 -0.974 0.000 0.822 375 A HN 0.812 nan 8.150 nan 0.000 0.444 376 H N 0.013 118.789 119.070 -0.491 0.000 2.319 376 H HA -0.219 4.337 4.556 -0.000 0.000 0.297 376 H C 1.609 176.827 175.328 -0.183 0.000 1.097 376 H CA 2.450 58.319 56.048 -0.297 0.000 1.285 376 H CB -0.696 28.960 29.762 -0.176 0.000 1.368 376 H HN 0.636 nan 8.280 nan 0.000 0.495 377 F N -1.780 117.832 119.950 -0.563 0.000 2.615 377 F HA 0.167 4.694 4.527 -0.000 0.000 0.297 377 F C 1.719 177.120 175.800 -0.665 0.000 1.124 377 F CA 0.308 57.873 58.000 -0.725 0.000 1.451 377 F CB -0.489 38.203 39.000 -0.515 0.000 1.103 377 F HN 0.147 nan 8.300 nan 0.000 0.569 378 H N -1.306 117.326 119.070 -0.729 0.000 2.470 378 H HA -0.012 4.544 4.556 -0.000 0.000 0.289 378 H C 1.363 176.244 175.328 -0.744 0.000 1.033 378 H CA 1.881 57.388 56.048 -0.902 0.000 1.331 378 H CB -0.298 28.342 29.762 -1.870 0.000 1.414 378 H HN 0.270 nan 8.280 nan 0.000 0.545 379 Y N 0.127 120.128 120.300 -0.499 0.000 2.163 379 Y HA -0.227 4.323 4.550 -0.000 0.000 0.288 379 Y C 2.609 178.276 175.900 -0.389 0.000 1.136 379 Y CA 1.374 59.235 58.100 -0.399 0.000 1.147 379 Y CB -0.436 37.823 38.460 -0.335 0.000 0.987 379 Y HN 0.131 nan 8.280 nan 0.000 0.509 380 V N -2.020 117.731 119.914 -0.271 0.000 2.358 380 V HA -0.217 3.903 4.120 -0.000 0.000 0.246 380 V C 1.903 177.902 176.094 -0.158 0.000 1.047 380 V CA 1.694 63.866 62.300 -0.214 0.000 1.035 380 V CB -1.045 30.634 31.823 -0.239 0.000 0.658 380 V HN 0.337 nan 8.190 nan 0.000 0.452 381 L N 0.178 121.262 121.223 -0.231 0.000 2.127 381 L HA 0.068 4.408 4.340 -0.000 0.000 0.203 381 L C 2.754 179.555 176.870 -0.114 0.000 1.080 381 L CA 1.717 56.446 54.840 -0.185 0.000 0.768 381 L CB -0.424 41.481 42.059 -0.258 0.000 0.924 381 L HN 0.350 nan 8.230 nan 0.000 0.444 382 S N -1.198 114.396 115.700 -0.177 0.000 2.503 382 S HA 0.180 4.650 4.470 -0.000 0.000 0.217 382 S C 1.514 176.080 174.600 -0.057 0.000 0.999 382 S CA 0.264 58.436 58.200 -0.046 0.000 0.914 382 S CB 0.171 63.327 63.200 -0.073 0.000 0.782 382 S HN 0.269 nan 8.310 nan 0.000 0.520 383 M N -0.201 119.219 119.600 -0.301 0.000 2.347 383 M HA 0.333 4.813 4.480 -0.000 0.000 0.324 383 M C 1.333 177.383 176.300 -0.417 0.000 1.028 383 M CA -0.029 54.882 55.300 -0.649 0.000 0.988 383 M CB 1.246 33.317 32.600 -0.882 0.000 1.528 383 M HN 0.313 nan 8.290 nan 0.000 0.550 384 G N -0.072 108.659 108.800 -0.115 0.000 2.732 384 G HA2 0.262 4.222 3.960 -0.000 0.000 0.206 384 G HA3 0.262 4.222 3.960 -0.000 0.000 0.206 384 G C 1.336 176.506 174.900 0.451 0.000 1.253 384 G CA 0.677 45.756 45.100 -0.035 0.000 0.796 384 G HN 0.311 nan 8.290 nan 0.000 0.616 385 A N 0.343 123.312 122.820 0.249 0.000 1.898 385 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 385 A C 2.500 180.230 177.584 0.243 0.000 1.181 385 A CA 1.944 54.114 52.037 0.222 0.000 0.620 385 A CB -0.726 18.310 19.000 0.059 0.000 0.819 385 A HN 0.306 nan 8.150 nan 0.000 0.442 386 V N -1.406 118.662 119.914 0.258 0.000 2.515 386 V HA -0.198 3.922 4.120 -0.000 0.000 0.250 386 V C 2.239 178.529 176.094 0.326 0.000 1.058 386 V CA 1.727 64.185 62.300 0.263 0.000 1.064 386 V CB -0.814 31.182 31.823 0.289 0.000 0.675 386 V HN 0.622 nan 8.190 nan 0.000 0.461 387 F N 0.053 120.153 119.950 0.249 0.000 2.259 387 F HA -0.041 4.486 4.527 -0.000 0.000 0.298 387 F C 2.418 178.356 175.800 0.230 0.000 1.088 387 F CA 0.773 59.005 58.000 0.387 0.000 1.358 387 F CB -0.258 39.144 39.000 0.670 0.000 1.040 387 F HN 0.130 nan 8.300 nan 0.000 0.505 388 A N 0.490 123.562 122.820 0.419 0.000 1.898 388 A HA -0.146 4.174 4.320 -0.000 0.000 0.216 388 A C 2.094 179.650 177.584 -0.047 0.000 1.181 388 A CA 1.372 53.436 52.037 0.046 0.000 0.620 388 A CB -0.933 18.021 19.000 -0.077 0.000 0.819 388 A HN 0.386 nan 8.150 nan 0.000 0.442 389 I N -0.838 119.743 120.570 0.018 0.000 2.252 389 I HA -0.250 3.920 4.170 -0.000 0.000 0.245 389 I C 2.507 178.621 176.117 -0.005 0.000 1.102 389 I CA 1.062 62.393 61.300 0.052 0.000 1.385 389 I CB -0.233 37.861 38.000 0.157 0.000 1.064 389 I HN 0.242 nan 8.210 nan 0.000 0.414 390 M N 0.199 119.620 119.600 -0.298 0.000 2.175 390 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 390 M C 2.348 178.290 176.300 -0.597 0.000 1.063 390 M CA 1.573 56.473 55.300 -0.667 0.000 1.119 390 M CB -1.835 29.653 32.600 -1.853 0.000 1.377 390 M HN 0.284 nan 8.290 nan 0.000 0.415 391 G N -0.498 108.043 108.800 -0.432 0.000 2.394 391 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.215 391 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.215 391 G C 1.587 176.450 174.900 -0.062 0.000 1.165 391 G CA 0.883 45.916 45.100 -0.111 0.000 0.784 391 G HN 0.540 nan 8.290 nan 0.000 0.535 392 G N 0.236 108.984 108.800 -0.087 0.000 2.408 392 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.217 392 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.217 392 G C 1.598 176.714 174.900 0.361 0.000 1.150 392 G CA 0.788 45.870 45.100 -0.030 0.000 0.776 392 G HN 0.335 nan 8.290 nan 0.000 0.542 393 F N 1.866 122.017 119.950 0.335 0.000 2.146 393 F HA -0.100 4.427 4.527 -0.000 0.000 0.298 393 F C 2.711 178.666 175.800 0.259 0.000 1.096 393 F CA 1.757 60.052 58.000 0.492 0.000 1.275 393 F CB -0.217 38.993 39.000 0.351 0.000 1.008 393 F HN 0.064 nan 8.300 nan 0.000 0.480 394 V N -1.733 118.297 119.914 0.194 0.000 2.453 394 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 394 V C 2.422 178.537 176.094 0.036 0.000 1.048 394 V CA 2.222 64.575 62.300 0.089 0.000 1.049 394 V CB -1.398 30.545 31.823 0.199 0.000 0.672 394 V HN 0.461 nan 8.190 nan 0.000 0.457 395 H N -0.734 118.268 119.070 -0.113 0.000 2.353 395 H HA -0.133 4.423 4.556 -0.000 0.000 0.300 395 H C 1.806 176.975 175.328 -0.264 0.000 1.090 395 H CA 2.549 58.441 56.048 -0.259 0.000 1.327 395 H CB -0.171 29.248 29.762 -0.571 0.000 1.383 395 H HN 0.577 nan 8.280 nan 0.000 0.508 396 W N -0.915 120.168 121.300 -0.362 0.000 3.107 396 W HA 0.070 4.730 4.660 -0.000 0.000 0.293 396 W C 1.662 177.446 176.519 -1.226 0.000 1.239 396 W CA -0.297 56.481 57.345 -0.945 0.000 1.653 396 W CB -0.868 27.843 29.460 -1.248 0.000 1.068 396 W HN 0.172 nan 8.180 nan 0.000 0.615 397 F N 2.987 122.485 119.950 -0.753 0.000 2.085 397 F HA -0.256 4.271 4.527 -0.000 0.000 0.299 397 F C -0.756 174.761 175.800 -0.471 0.000 1.096 397 F CA 2.356 59.921 58.000 -0.725 0.000 1.227 397 F CB -1.457 37.118 39.000 -0.709 0.000 0.983 397 F HN -0.249 nan 8.300 nan 0.000 0.482 398 P HA -0.131 nan 4.420 nan 0.000 0.221 398 P C 1.778 178.920 177.300 -0.263 0.000 1.150 398 P CA 1.068 64.071 63.100 -0.162 0.000 0.800 398 P CB -0.121 31.650 31.700 0.118 0.000 0.787 399 L N -1.131 119.790 121.223 -0.504 0.000 2.005 399 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 399 L C 1.988 178.546 176.870 -0.520 0.000 1.072 399 L CA 2.112 56.529 54.840 -0.705 0.000 0.744 399 L CB -1.485 39.772 42.059 -1.337 0.000 0.895 399 L HN -0.171 nan 8.230 nan 0.000 0.433 400 F N -0.207 119.221 119.950 -0.870 0.000 2.186 400 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 400 F C 2.798 178.263 175.800 -0.558 0.000 1.090 400 F CA 1.033 58.378 58.000 -1.092 0.000 1.307 400 F CB -1.698 36.561 39.000 -1.235 0.000 1.019 400 F HN 0.386 nan 8.300 nan 0.000 0.489 401 S N -1.437 113.972 115.700 -0.485 0.000 2.492 401 S HA 0.399 4.869 4.470 -0.000 0.000 0.218 401 S C 1.872 176.176 174.600 -0.492 0.000 1.016 401 S CA 0.482 58.430 58.200 -0.420 0.000 0.916 401 S CB 0.162 62.906 63.200 -0.760 0.000 0.791 401 S HN 0.542 nan 8.310 nan 0.000 0.513 402 G N 0.035 108.569 108.800 -0.443 0.000 2.176 402 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.253 402 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.253 402 G C -0.279 174.380 174.900 -0.401 0.000 0.979 402 G CA 0.446 45.302 45.100 -0.407 0.000 0.641 402 G HN 0.536 nan 8.290 nan 0.000 0.530 403 Y N 0.777 120.991 120.300 -0.142 0.000 2.499 403 Y HA 0.660 5.210 4.550 -0.000 0.000 0.347 403 Y C 0.852 176.788 175.900 0.061 0.000 0.987 403 Y CA -0.769 57.305 58.100 -0.045 0.000 1.044 403 Y CB 1.716 40.130 38.460 -0.077 0.000 1.245 403 Y HN 0.319 nan 8.280 nan 0.000 0.461 404 T N 0.548 115.252 114.554 0.249 0.000 2.922 404 T HA 0.704 5.054 4.350 -0.000 0.000 0.285 404 T C -0.168 174.599 174.700 0.111 0.000 1.005 404 T CA -0.817 61.392 62.100 0.182 0.000 1.061 404 T CB 0.645 69.577 68.868 0.107 0.000 1.007 404 T HN 0.484 nan 8.240 nan 0.000 0.502 405 L N 2.082 123.327 121.223 0.037 0.000 2.456 405 L HA 0.363 4.703 4.340 -0.000 0.000 0.257 405 L C 1.161 178.037 176.870 0.009 0.000 1.162 405 L CA -1.082 53.705 54.840 -0.089 0.000 0.808 405 L CB 0.375 42.351 42.059 -0.139 0.000 1.136 405 L HN 0.729 nan 8.230 nan 0.000 0.466 406 N N 1.026 119.755 118.700 0.048 0.000 2.405 406 N HA -0.040 4.700 4.740 -0.000 0.000 0.260 406 N C 0.129 175.726 175.510 0.146 0.000 1.152 406 N CA -0.027 53.105 53.050 0.138 0.000 0.948 406 N CB 1.091 39.764 38.487 0.310 0.000 1.111 406 N HN 0.507 nan 8.380 nan 0.000 0.485 407 D N 2.361 122.815 120.400 0.091 0.000 2.178 407 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 407 D C 1.197 177.544 176.300 0.078 0.000 0.980 407 D CA 1.376 55.425 54.000 0.081 0.000 0.842 407 D CB 0.194 41.021 40.800 0.045 0.000 0.948 407 D HN 0.563 nan 8.370 nan 0.000 0.472 408 T N -0.767 113.805 114.554 0.029 0.000 2.737 408 T HA -0.140 4.210 4.350 -0.000 0.000 0.265 408 T C 1.707 176.411 174.700 0.006 0.000 1.038 408 T CA 0.820 62.889 62.100 -0.051 0.000 1.144 408 T CB -0.464 68.294 68.868 -0.182 0.000 0.866 408 T HN 0.319 nan 8.240 nan 0.000 0.434 409 W N 1.384 122.749 121.300 0.109 0.000 2.338 409 W HA -0.042 4.618 4.660 -0.000 0.000 0.304 409 W C 2.810 179.442 176.519 0.188 0.000 1.212 409 W CA 0.622 58.064 57.345 0.161 0.000 1.264 409 W CB -0.281 29.294 29.460 0.192 0.000 1.142 409 W HN 0.215 nan 8.180 nan 0.000 0.512 410 A N 0.276 123.333 122.820 0.395 0.000 1.969 410 A HA -0.177 4.143 4.320 -0.000 0.000 0.218 410 A C 1.799 179.577 177.584 0.323 0.000 1.169 410 A CA 1.612 53.882 52.037 0.388 0.000 0.635 410 A CB -0.533 18.642 19.000 0.292 0.000 0.810 410 A HN 0.304 nan 8.150 nan 0.000 0.445 411 K N -0.330 120.179 120.400 0.182 0.000 2.097 411 K HA -0.003 4.317 4.320 -0.000 0.000 0.205 411 K C 1.669 178.357 176.600 0.146 0.000 1.050 411 K CA 1.371 57.718 56.287 0.100 0.000 0.938 411 K CB -0.322 32.189 32.500 0.019 0.000 0.718 411 K HN 0.515 nan 8.250 nan 0.000 0.442 412 I N 0.580 121.258 120.570 0.180 0.000 2.142 412 I HA -0.314 3.856 4.170 -0.000 0.000 0.240 412 I C 2.692 178.955 176.117 0.243 0.000 1.078 412 I CA 1.344 62.757 61.300 0.187 0.000 1.343 412 I CB -0.457 37.672 38.000 0.216 0.000 1.046 412 I HN 0.337 nan 8.210 nan 0.000 0.405 413 H N 0.877 120.107 119.070 0.266 0.000 2.289 413 H HA -0.307 4.249 4.556 -0.000 0.000 0.296 413 H C 2.326 177.753 175.328 0.165 0.000 1.091 413 H CA 2.472 58.682 56.048 0.271 0.000 1.274 413 H CB -0.260 29.722 29.762 0.367 0.000 1.364 413 H HN 0.332 nan 8.280 nan 0.000 0.490 414 F N 1.489 121.235 119.950 -0.340 0.000 2.095 414 F HA -0.215 4.312 4.527 -0.000 0.000 0.298 414 F C 2.689 178.222 175.800 -0.444 0.000 1.104 414 F CA 1.974 59.456 58.000 -0.864 0.000 1.232 414 F CB -0.857 37.468 39.000 -1.126 0.000 0.987 414 F HN 0.247 nan 8.300 nan 0.000 0.475 415 A N 0.902 123.535 122.820 -0.313 0.000 1.883 415 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 415 A C 2.318 179.795 177.584 -0.178 0.000 1.186 415 A CA 2.189 54.071 52.037 -0.259 0.000 0.624 415 A CB -1.325 17.648 19.000 -0.044 0.000 0.822 415 A HN 0.543 nan 8.150 nan 0.000 0.444 416 I N -1.503 119.014 120.570 -0.088 0.000 2.179 416 I HA -0.285 3.885 4.170 -0.000 0.000 0.242 416 I C 2.675 178.771 176.117 -0.034 0.000 1.088 416 I CA 2.012 63.308 61.300 -0.007 0.000 1.357 416 I CB -0.276 37.772 38.000 0.081 0.000 1.051 416 I HN 0.448 nan 8.210 nan 0.000 0.409 417 M N 0.536 120.065 119.600 -0.119 0.000 2.117 417 M HA -0.253 4.227 4.480 -0.000 0.000 0.262 417 M C 2.120 178.418 176.300 -0.003 0.000 1.065 417 M CA 1.889 57.168 55.300 -0.035 0.000 1.114 417 M CB -0.597 31.978 32.600 -0.042 0.000 1.361 417 M HN 0.182 nan 8.290 nan 0.000 0.408 418 F N -0.334 119.393 119.950 -0.372 0.000 2.095 418 F HA -0.214 4.313 4.527 -0.000 0.000 0.298 418 F C 1.868 177.626 175.800 -0.070 0.000 1.104 418 F CA 1.983 59.858 58.000 -0.208 0.000 1.232 418 F CB -0.487 38.141 39.000 -0.620 0.000 0.987 418 F HN -0.010 nan 8.300 nan 0.000 0.475 419 V N 0.273 120.234 119.914 0.078 0.000 2.343 419 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 419 V C 2.716 178.794 176.094 -0.026 0.000 1.051 419 V CA 1.927 64.252 62.300 0.042 0.000 1.036 419 V CB -1.632 30.232 31.823 0.068 0.000 0.654 419 V HN 0.555 nan 8.190 nan 0.000 0.451 420 G N 0.657 109.453 108.800 -0.007 0.000 2.480 420 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 420 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 420 G C 1.757 176.617 174.900 -0.065 0.000 1.200 420 G CA 1.725 46.819 45.100 -0.011 0.000 0.782 420 G HN 0.567 nan 8.290 nan 0.000 0.554 421 V N -0.683 119.210 119.914 -0.036 0.000 2.407 421 V HA -0.143 3.977 4.120 -0.000 0.000 0.248 421 V C 2.229 178.249 176.094 -0.123 0.000 1.055 421 V CA 2.130 64.421 62.300 -0.014 0.000 1.049 421 V CB -0.627 31.248 31.823 0.088 0.000 0.662 421 V HN 0.262 nan 8.190 nan 0.000 0.455 422 N N 0.090 118.668 118.700 -0.202 0.000 2.250 422 N HA -0.032 4.708 4.740 -0.000 0.000 0.181 422 N C 1.829 177.326 175.510 -0.022 0.000 1.017 422 N CA 1.890 54.863 53.050 -0.129 0.000 0.866 422 N CB -0.156 38.189 38.487 -0.237 0.000 0.985 422 N HN 0.615 nan 8.380 nan 0.000 0.429 423 M N 0.852 120.414 119.600 -0.062 0.000 2.175 423 M HA -0.112 4.368 4.480 -0.000 0.000 0.264 423 M C 1.601 177.834 176.300 -0.111 0.000 1.063 423 M CA 1.242 56.523 55.300 -0.031 0.000 1.119 423 M CB -0.089 32.498 32.600 -0.022 0.000 1.377 423 M HN -0.041 nan 8.290 nan 0.000 0.415 424 T N 0.189 114.577 114.554 -0.277 0.000 2.674 424 T HA -0.098 4.252 4.350 -0.000 0.000 0.265 424 T C 1.203 175.499 174.700 -0.674 0.000 1.039 424 T CA 1.757 63.504 62.100 -0.588 0.000 1.150 424 T CB -0.352 67.879 68.868 -1.061 0.000 0.864 424 T HN 0.442 nan 8.240 nan 0.000 0.427 425 F N -0.858 119.024 119.950 -0.113 0.000 2.622 425 F HA 0.332 4.859 4.527 -0.000 0.000 0.288 425 F C 1.795 177.588 175.800 -0.013 0.000 1.120 425 F CA -0.543 57.382 58.000 -0.125 0.000 1.423 425 F CB -0.210 38.648 39.000 -0.236 0.000 1.127 425 F HN 0.005 nan 8.300 nan 0.000 0.588 426 F N 2.779 122.815 119.950 0.144 0.000 2.120 426 F HA -0.127 4.400 4.527 -0.000 0.000 0.300 426 F C -0.903 174.706 175.800 -0.318 0.000 1.095 426 F CA 1.457 59.494 58.000 0.063 0.000 1.249 426 F CB -1.517 37.496 39.000 0.023 0.000 0.995 426 F HN -0.145 nan 8.300 nan 0.000 0.480 427 P HA -0.137 nan 4.420 nan 0.000 0.226 427 P C 1.068 178.031 177.300 -0.561 0.000 1.153 427 P CA 1.329 64.081 63.100 -0.579 0.000 0.777 427 P CB -0.179 31.479 31.700 -0.070 0.000 0.794 428 Q N -1.615 117.937 119.800 -0.414 0.000 2.297 428 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 428 Q C 1.707 177.483 176.000 -0.373 0.000 0.962 428 Q CA 1.023 56.659 55.803 -0.277 0.000 0.879 428 Q CB -0.589 28.107 28.738 -0.071 0.000 0.947 428 Q HN 0.508 nan 8.270 nan 0.000 0.462 429 H N -0.660 118.038 119.070 -0.619 0.000 2.352 429 H HA -0.159 4.397 4.556 -0.000 0.000 0.299 429 H C 1.473 176.643 175.328 -0.263 0.000 1.097 429 H CA 1.709 57.404 56.048 -0.588 0.000 1.311 429 H CB -0.023 29.146 29.762 -0.989 0.000 1.377 429 H HN 0.196 nan 8.280 nan 0.000 0.504 430 F N 0.317 120.122 119.950 -0.241 0.000 2.113 430 F HA -0.115 4.412 4.527 -0.000 0.000 0.297 430 F C 2.278 178.069 175.800 -0.014 0.000 1.103 430 F CA 0.789 58.658 58.000 -0.218 0.000 1.248 430 F CB -1.074 37.517 39.000 -0.681 0.000 0.999 430 F HN 0.073 nan 8.300 nan 0.000 0.475 431 L N -0.224 121.094 121.223 0.158 0.000 2.013 431 L HA -0.204 4.136 4.340 -0.000 0.000 0.212 431 L C 2.742 179.670 176.870 0.096 0.000 1.073 431 L CA 1.643 56.561 54.840 0.130 0.000 0.753 431 L CB -1.476 40.527 42.059 -0.092 0.000 0.890 431 L HN 0.294 nan 8.230 nan 0.000 0.432 432 G N -0.167 108.714 108.800 0.135 0.000 2.394 432 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.214 432 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.214 432 G C 1.623 176.610 174.900 0.146 0.000 1.176 432 G CA 0.385 45.584 45.100 0.165 0.000 0.786 432 G HN 0.218 nan 8.290 nan 0.000 0.533 433 L N 1.570 122.904 121.223 0.185 0.000 2.081 433 L HA -0.124 4.216 4.340 -0.000 0.000 0.212 433 L C 2.989 179.932 176.870 0.123 0.000 1.080 433 L CA 1.630 56.532 54.840 0.104 0.000 0.754 433 L CB -0.346 41.793 42.059 0.134 0.000 0.893 433 L HN 0.437 nan 8.230 nan 0.000 0.433 434 S N -1.069 114.753 115.700 0.202 0.000 2.593 434 S HA 0.240 4.710 4.470 -0.000 0.000 0.217 434 S C 1.326 176.122 174.600 0.326 0.000 0.966 434 S CA 0.284 58.644 58.200 0.266 0.000 0.914 434 S CB 0.575 63.996 63.200 0.368 0.000 0.776 434 S HN 0.564 nan 8.310 nan 0.000 0.523 435 G N 1.088 109.993 108.800 0.175 0.000 2.154 435 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.186 435 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.186 435 G C -0.121 174.748 174.900 -0.052 0.000 1.000 435 G CA -0.038 45.125 45.100 0.104 0.000 0.664 435 G HN 0.581 nan 8.290 nan 0.000 0.513 436 M N 1.725 121.142 119.600 -0.305 0.000 2.227 436 M HA 0.398 4.878 4.480 -0.000 0.000 0.349 436 M C -2.164 173.970 176.300 -0.276 0.000 1.443 436 M CA -1.346 53.568 55.300 -0.643 0.000 1.110 436 M CB 0.658 32.695 32.600 -0.938 0.000 1.773 436 M HN -0.029 nan 8.290 nan 0.000 0.463 437 P HA 0.110 nan 4.420 nan 0.000 0.272 437 P C -1.327 175.806 177.300 -0.278 0.000 1.230 437 P CA -0.185 62.614 63.100 -0.502 0.000 0.788 437 P CB 0.463 31.461 31.700 -1.171 0.000 0.949 438 R N 1.440 121.811 120.500 -0.215 0.000 2.553 438 R HA 0.555 4.895 4.340 -0.000 0.000 0.263 438 R C -0.195 176.155 176.300 0.083 0.000 1.066 438 R CA -0.744 55.247 56.100 -0.181 0.000 1.135 438 R CB 0.434 30.533 30.300 -0.336 0.000 1.148 438 R HN 0.324 nan 8.270 nan 0.000 0.558 439 R N -1.118 119.520 120.500 0.230 0.000 3.776 439 R HA -0.194 4.146 4.340 -0.000 0.000 0.312 439 R C -1.239 175.408 176.300 0.578 0.000 1.181 439 R CA 0.905 57.228 56.100 0.373 0.000 0.836 439 R CB -2.120 28.320 30.300 0.234 0.000 1.324 439 R HN 0.643 nan 8.270 nan 0.000 0.501 440 Y N -0.644 119.825 120.300 0.281 0.000 2.360 440 Y HA 0.158 4.708 4.550 -0.000 0.000 0.337 440 Y C 1.598 177.411 175.900 -0.144 0.000 1.039 440 Y CA -0.124 58.051 58.100 0.125 0.000 1.109 440 Y CB 1.675 40.219 38.460 0.141 0.000 1.201 440 Y HN 0.157 nan 8.280 nan 0.000 0.458 441 S N 0.031 115.509 115.700 -0.370 0.000 2.558 441 S HA 0.080 4.550 4.470 -0.000 0.000 0.217 441 S C -0.166 174.190 174.600 -0.406 0.000 0.975 441 S CA 0.313 58.036 58.200 -0.796 0.000 0.912 441 S CB 0.173 62.992 63.200 -0.635 0.000 0.776 441 S HN 0.728 nan 8.310 nan 0.000 0.526 442 D N -0.606 119.659 120.400 -0.225 0.000 2.671 442 D HA 0.500 5.140 4.640 -0.000 0.000 0.273 442 D C -1.851 174.401 176.300 -0.079 0.000 1.264 442 D CA -0.724 53.087 54.000 -0.315 0.000 0.788 442 D CB 1.409 42.018 40.800 -0.319 0.000 1.324 442 D HN 0.225 nan 8.370 nan 0.000 0.424 443 Y N -2.055 118.306 120.300 0.100 0.000 2.571 443 Y HA 0.718 5.268 4.550 -0.000 0.000 0.341 443 Y C -2.703 173.322 175.900 0.209 0.000 1.076 443 Y CA -2.365 55.861 58.100 0.210 0.000 1.029 443 Y CB 0.100 38.678 38.460 0.197 0.000 1.308 443 Y HN 0.055 nan 8.280 nan 0.000 0.461 444 P HA 0.041 nan 4.420 nan 0.000 0.267 444 P C 0.066 177.544 177.300 0.296 0.000 1.201 444 P CA 0.272 63.545 63.100 0.288 0.000 0.775 444 P CB 0.865 32.726 31.700 0.269 0.000 0.854 445 D N 1.148 121.618 120.400 0.115 0.000 2.178 445 D HA -0.131 4.509 4.640 -0.000 0.000 0.201 445 D C 1.823 178.133 176.300 0.017 0.000 0.980 445 D CA 1.524 55.575 54.000 0.084 0.000 0.842 445 D CB -0.541 40.265 40.800 0.009 0.000 0.948 445 D HN 0.350 nan 8.370 nan 0.000 0.472 446 A N -0.113 122.629 122.820 -0.131 0.000 2.070 446 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 446 A C 1.212 178.599 177.584 -0.328 0.000 1.159 446 A CA 0.792 52.662 52.037 -0.279 0.000 0.656 446 A CB -0.772 17.979 19.000 -0.416 0.000 0.800 446 A HN 0.267 nan 8.150 nan 0.000 0.453 447 Y N 0.008 120.309 120.300 0.002 0.000 2.471 447 Y HA 0.051 4.601 4.550 -0.000 0.000 0.286 447 Y C 2.344 178.026 175.900 -0.363 0.000 1.188 447 Y CA 0.665 58.671 58.100 -0.157 0.000 1.286 447 Y CB -0.936 37.403 38.460 -0.202 0.000 1.072 447 Y HN 0.206 nan 8.280 nan 0.000 0.517 448 T N 0.094 114.604 114.554 -0.074 0.000 2.737 448 T HA -0.243 4.107 4.350 -0.000 0.000 0.265 448 T C 2.072 176.665 174.700 -0.179 0.000 1.038 448 T CA 1.543 63.620 62.100 -0.038 0.000 1.144 448 T CB -0.211 68.698 68.868 0.067 0.000 0.866 448 T HN 0.443 nan 8.240 nan 0.000 0.434 449 M N -0.541 118.876 119.600 -0.305 0.000 2.117 449 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 449 M C 1.796 177.912 176.300 -0.306 0.000 1.065 449 M CA 1.781 56.840 55.300 -0.401 0.000 1.114 449 M CB -0.187 31.986 32.600 -0.711 0.000 1.361 449 M HN 0.405 nan 8.290 nan 0.000 0.408 450 W N 0.255 121.526 121.300 -0.050 0.000 2.436 450 W HA -0.050 4.610 4.660 -0.000 0.000 0.284 450 W C 2.174 178.604 176.519 -0.148 0.000 1.225 450 W CA -0.065 57.261 57.345 -0.032 0.000 1.271 450 W CB -0.447 29.037 29.460 0.039 0.000 1.114 450 W HN 0.285 nan 8.180 nan 0.000 0.559 451 N N 0.032 118.684 118.700 -0.080 0.000 2.188 451 N HA -0.115 4.625 4.740 -0.000 0.000 0.184 451 N C 1.512 176.963 175.510 -0.099 0.000 1.018 451 N CA 1.942 54.861 53.050 -0.217 0.000 0.858 451 N CB -0.533 37.639 38.487 -0.525 0.000 0.989 451 N HN 0.083 nan 8.380 nan 0.000 0.426 452 T N 2.051 116.564 114.554 -0.068 0.000 2.674 452 T HA -0.024 4.326 4.350 -0.000 0.000 0.265 452 T C 2.130 176.805 174.700 -0.042 0.000 1.039 452 T CA 0.746 62.816 62.100 -0.050 0.000 1.150 452 T CB -0.187 68.647 68.868 -0.057 0.000 0.864 452 T HN 0.178 nan 8.240 nan 0.000 0.427 453 I N 1.128 121.705 120.570 0.012 0.000 2.286 453 I HA -0.180 3.990 4.170 -0.000 0.000 0.248 453 I C 2.781 178.895 176.117 -0.004 0.000 1.115 453 I CA 1.018 62.344 61.300 0.044 0.000 1.392 453 I CB -0.364 37.746 38.000 0.183 0.000 1.065 453 I HN 0.266 nan 8.210 nan 0.000 0.418 454 S N 0.181 115.862 115.700 -0.033 0.000 2.368 454 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 454 S C 2.213 176.720 174.600 -0.155 0.000 1.029 454 S CA 1.878 59.998 58.200 -0.134 0.000 0.988 454 S CB -0.143 62.953 63.200 -0.173 0.000 0.838 454 S HN 0.403 nan 8.310 nan 0.000 0.462 455 S N 1.430 117.060 115.700 -0.115 0.000 2.399 455 S HA -0.018 4.452 4.470 -0.000 0.000 0.231 455 S C 1.862 176.379 174.600 -0.138 0.000 1.022 455 S CA 1.607 59.742 58.200 -0.109 0.000 0.983 455 S CB -0.392 62.750 63.200 -0.097 0.000 0.803 455 S HN 0.543 nan 8.310 nan 0.000 0.480 456 M N 0.940 120.457 119.600 -0.138 0.000 2.200 456 M HA 0.009 4.489 4.480 -0.000 0.000 0.265 456 M C 2.549 178.830 176.300 -0.032 0.000 1.066 456 M CA 1.328 56.547 55.300 -0.134 0.000 1.127 456 M CB -0.853 31.690 32.600 -0.096 0.000 1.379 456 M HN 0.440 nan 8.290 nan 0.000 0.420 457 G N 0.449 109.219 108.800 -0.050 0.000 2.442 457 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 457 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 457 G C 1.647 176.525 174.900 -0.035 0.000 1.141 457 G CA 1.355 46.422 45.100 -0.055 0.000 0.763 457 G HN 0.565 nan 8.290 nan 0.000 0.554 458 S N 0.244 115.921 115.700 -0.038 0.000 2.370 458 S HA -0.107 4.363 4.470 -0.000 0.000 0.226 458 S C 2.140 176.853 174.600 0.189 0.000 1.033 458 S CA 1.258 59.480 58.200 0.036 0.000 1.011 458 S CB -0.715 62.512 63.200 0.044 0.000 0.852 458 S HN 0.369 nan 8.310 nan 0.000 0.457 459 F N 1.560 121.486 119.950 -0.040 0.000 2.186 459 F HA 0.063 4.590 4.527 -0.000 0.000 0.299 459 F C 2.332 178.133 175.800 0.001 0.000 1.090 459 F CA 0.861 58.854 58.000 -0.013 0.000 1.307 459 F CB -0.296 38.699 39.000 -0.010 0.000 1.019 459 F HN 0.190 nan 8.300 nan 0.000 0.489 460 I N -0.749 119.924 120.570 0.171 0.000 2.163 460 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 460 I C 2.368 178.537 176.117 0.086 0.000 1.085 460 I CA 1.357 62.719 61.300 0.103 0.000 1.347 460 I CB -0.688 37.354 38.000 0.071 0.000 1.044 460 I HN -0.003 nan 8.210 nan 0.000 0.408 461 S N 0.850 116.597 115.700 0.079 0.000 2.399 461 S HA -0.161 4.309 4.470 -0.000 0.000 0.231 461 S C 1.901 176.554 174.600 0.088 0.000 1.022 461 S CA 1.181 59.440 58.200 0.098 0.000 0.983 461 S CB -0.398 62.863 63.200 0.101 0.000 0.803 461 S HN 0.354 nan 8.310 nan 0.000 0.480 462 L N 1.793 123.038 121.223 0.036 0.000 2.046 462 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 462 L C 2.151 179.019 176.870 -0.002 0.000 1.077 462 L CA 1.873 56.696 54.840 -0.028 0.000 0.747 462 L CB -1.285 40.668 42.059 -0.176 0.000 0.896 462 L HN 0.150 nan 8.230 nan 0.000 0.432 463 T N 0.013 114.580 114.554 0.022 0.000 2.777 463 T HA -0.104 4.246 4.350 -0.000 0.000 0.266 463 T C 1.951 176.713 174.700 0.103 0.000 1.040 463 T CA 1.301 63.427 62.100 0.044 0.000 1.141 463 T CB -0.551 68.353 68.868 0.059 0.000 0.868 463 T HN 0.551 nan 8.240 nan 0.000 0.444 464 A N 1.033 123.947 122.820 0.156 0.000 1.908 464 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 464 A C 2.581 180.347 177.584 0.303 0.000 1.181 464 A CA 1.540 53.755 52.037 0.298 0.000 0.627 464 A CB -1.118 18.053 19.000 0.285 0.000 0.818 464 A HN 0.355 nan 8.150 nan 0.000 0.445 465 V N 0.148 120.177 119.914 0.191 0.000 2.343 465 V HA -0.331 3.789 4.120 -0.000 0.000 0.247 465 V C 2.658 178.777 176.094 0.041 0.000 1.051 465 V CA 2.264 64.632 62.300 0.114 0.000 1.036 465 V CB -0.724 31.142 31.823 0.071 0.000 0.654 465 V HN 0.600 nan 8.190 nan 0.000 0.451 466 M N -0.957 118.660 119.600 0.028 0.000 2.213 466 M HA -0.184 4.296 4.480 -0.000 0.000 0.263 466 M C 2.208 178.525 176.300 0.029 0.000 1.062 466 M CA 1.744 57.047 55.300 0.005 0.000 1.105 466 M CB -0.504 32.082 32.600 -0.023 0.000 1.385 466 M HN 0.348 nan 8.290 nan 0.000 0.417 467 L N 0.383 121.640 121.223 0.056 0.000 2.109 467 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 467 L C 2.443 179.334 176.870 0.035 0.000 1.086 467 L CA 1.438 56.326 54.840 0.081 0.000 0.760 467 L CB -0.474 41.682 42.059 0.162 0.000 0.910 467 L HN 0.247 nan 8.230 nan 0.000 0.437 468 M N -1.472 118.046 119.600 -0.138 0.000 2.082 468 M HA -0.238 4.242 4.480 -0.000 0.000 0.258 468 M C 2.030 178.268 176.300 -0.104 0.000 1.069 468 M CA 2.172 57.294 55.300 -0.297 0.000 1.102 468 M CB -0.133 32.237 32.600 -0.383 0.000 1.336 468 M HN 0.174 nan 8.290 nan 0.000 0.404 469 V N 0.597 120.495 119.914 -0.027 0.000 2.332 469 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 469 V C 2.171 178.310 176.094 0.076 0.000 1.055 469 V CA 2.234 64.551 62.300 0.029 0.000 1.038 469 V CB -1.112 30.731 31.823 0.032 0.000 0.651 469 V HN 0.640 nan 8.190 nan 0.000 0.450 470 F N 0.754 120.672 119.950 -0.053 0.000 2.102 470 F HA -0.158 4.369 4.527 -0.000 0.000 0.298 470 F C 2.091 177.893 175.800 0.003 0.000 1.105 470 F CA 1.619 59.599 58.000 -0.033 0.000 1.239 470 F CB -0.406 38.478 39.000 -0.194 0.000 0.991 470 F HN 0.078 nan 8.300 nan 0.000 0.474 471 I N 0.386 120.703 120.570 -0.423 0.000 2.264 471 I HA -0.339 3.831 4.170 -0.000 0.000 0.248 471 I C 2.397 178.290 176.117 -0.375 0.000 1.111 471 I CA 1.642 62.655 61.300 -0.478 0.000 1.382 471 I CB -0.496 37.415 38.000 -0.149 0.000 1.060 471 I HN 0.214 nan 8.210 nan 0.000 0.418 472 I N -0.717 119.733 120.570 -0.199 0.000 2.163 472 I HA -0.295 3.875 4.170 -0.000 0.000 0.240 472 I C 2.436 178.558 176.117 0.009 0.000 1.081 472 I CA 1.409 62.635 61.300 -0.123 0.000 1.353 472 I CB -0.525 37.550 38.000 0.125 0.000 1.054 472 I HN 0.380 nan 8.210 nan 0.000 0.407 473 W N 2.332 123.576 121.300 -0.092 0.000 2.305 473 W HA -0.302 4.358 4.660 -0.000 0.000 0.308 473 W C 2.527 178.940 176.519 -0.177 0.000 1.226 473 W CA 2.188 59.498 57.345 -0.057 0.000 1.253 473 W CB -0.219 29.173 29.460 -0.114 0.000 1.146 473 W HN 0.125 nan 8.180 nan 0.000 0.507 474 E N 0.397 120.264 120.200 -0.555 0.000 2.150 474 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 474 E C 2.111 178.366 176.600 -0.575 0.000 0.985 474 E CA 1.463 57.386 56.400 -0.795 0.000 0.814 474 E CB -0.514 28.717 29.700 -0.783 0.000 0.752 474 E HN 0.302 nan 8.360 nan 0.000 0.466 475 A N 0.359 122.914 122.820 -0.443 0.000 1.858 475 A HA -0.139 4.181 4.320 -0.000 0.000 0.216 475 A C 2.108 179.444 177.584 -0.412 0.000 1.190 475 A CA 1.309 53.127 52.037 -0.365 0.000 0.617 475 A CB -1.083 17.665 19.000 -0.421 0.000 0.827 475 A HN 0.326 nan 8.150 nan 0.000 0.443 476 F N -0.232 119.546 119.950 -0.286 0.000 2.407 476 F HA 0.012 4.539 4.527 -0.000 0.000 0.299 476 F C 2.631 178.119 175.800 -0.520 0.000 1.097 476 F CA 0.520 58.302 58.000 -0.362 0.000 1.422 476 F CB 0.050 38.977 39.000 -0.123 0.000 1.067 476 F HN 0.292 nan 8.300 nan 0.000 0.539 477 A N -0.822 121.676 122.820 -0.536 0.000 1.898 477 A HA -0.098 4.222 4.320 -0.000 0.000 0.214 477 A C 2.275 179.603 177.584 -0.427 0.000 1.183 477 A CA 1.707 53.345 52.037 -0.664 0.000 0.622 477 A CB -0.779 17.377 19.000 -1.407 0.000 0.824 477 A HN 0.236 nan 8.150 nan 0.000 0.444 478 S N -0.455 115.001 115.700 -0.406 0.000 2.436 478 S HA 0.022 4.492 4.470 -0.000 0.000 0.228 478 S C 0.380 174.838 174.600 -0.237 0.000 1.014 478 S CA 0.564 58.605 58.200 -0.265 0.000 0.950 478 S CB -0.202 62.876 63.200 -0.204 0.000 0.784 478 S HN 0.577 nan 8.310 nan 0.000 0.504 479 K N 1.491 121.647 120.400 -0.407 0.000 3.689 479 K HA -0.186 4.134 4.320 -0.000 0.000 0.276 479 K C -0.896 175.672 176.600 -0.054 0.000 0.932 479 K CA 0.348 56.349 56.287 -0.476 0.000 0.758 479 K CB -1.184 31.158 32.500 -0.264 0.000 1.500 479 K HN 0.406 nan 8.250 nan 0.000 0.448 480 R N 1.870 122.376 120.500 0.010 0.000 2.242 480 R HA 0.118 4.458 4.340 -0.000 0.000 0.334 480 R C -0.025 176.422 176.300 0.246 0.000 1.071 480 R CA -0.178 55.988 56.100 0.110 0.000 0.922 480 R CB 0.547 30.886 30.300 0.065 0.000 1.023 480 R HN 0.284 nan 8.270 nan 0.000 0.458 481 E N 2.003 122.328 120.200 0.209 0.000 2.283 481 E HA 0.127 4.477 4.350 -0.000 0.000 0.278 481 E C -0.192 176.462 176.600 0.091 0.000 1.027 481 E CA -0.612 55.886 56.400 0.165 0.000 0.843 481 E CB 1.628 31.402 29.700 0.123 0.000 1.062 481 E HN 0.201 nan 8.360 nan 0.000 0.401 482 V N 4.535 124.485 119.914 0.060 0.000 2.673 482 V HA -0.086 4.034 4.120 -0.000 0.000 0.303 482 V C 1.055 177.177 176.094 0.047 0.000 1.046 482 V CA 0.798 63.131 62.300 0.055 0.000 1.126 482 V CB 0.470 32.332 31.823 0.064 0.000 0.934 482 V HN 0.740 nan 8.190 nan 0.000 0.487 483 L N 2.550 123.798 121.223 0.041 0.000 2.588 483 L HA 0.272 4.612 4.340 -0.000 0.000 0.194 483 L C 0.752 177.641 176.870 0.031 0.000 1.070 483 L CA 0.642 55.503 54.840 0.035 0.000 0.852 483 L CB 0.726 42.803 42.059 0.030 0.000 1.199 483 L HN 0.654 nan 8.230 nan 0.000 0.486 484 T N -0.082 114.483 114.554 0.018 0.000 2.909 484 T HA 0.604 4.954 4.350 -0.000 0.000 0.299 484 T C -1.152 173.530 174.700 -0.030 0.000 1.073 484 T CA -0.276 61.827 62.100 0.005 0.000 0.999 484 T CB 2.897 71.765 68.868 -0.000 0.000 1.098 484 T HN -0.275 nan 8.240 nan 0.000 0.477 485 V N 2.785 122.669 119.914 -0.050 0.000 2.623 485 V HA 0.398 4.518 4.120 -0.000 0.000 0.304 485 V C -0.457 175.565 176.094 -0.119 0.000 1.054 485 V CA -0.993 61.216 62.300 -0.151 0.000 0.882 485 V CB 2.158 33.812 31.823 -0.281 0.000 1.002 485 V HN 0.848 nan 8.190 nan 0.000 0.424 486 D N 2.891 123.213 120.400 -0.131 0.000 2.344 486 D HA 0.490 5.130 4.640 -0.000 0.000 0.244 486 D C 0.802 177.000 176.300 -0.170 0.000 1.134 486 D CA 0.092 54.006 54.000 -0.142 0.000 0.930 486 D CB 1.353 42.030 40.800 -0.204 0.000 1.175 486 D HN 0.601 nan 8.370 nan 0.000 0.437 487 L N 0.896 122.025 121.223 -0.157 0.000 4.351 487 L HA -0.291 4.049 4.340 -0.000 0.000 0.410 487 L C 1.796 178.680 176.870 0.024 0.000 1.150 487 L CA 0.624 55.379 54.840 -0.141 0.000 0.961 487 L CB -2.498 39.319 42.059 -0.403 0.000 2.130 487 L HN 0.524 nan 8.230 nan 0.000 0.787 488 T N -4.866 109.722 114.554 0.057 0.000 2.977 488 T HA -0.169 4.181 4.350 -0.000 0.000 0.271 488 T C 1.671 176.473 174.700 0.170 0.000 1.105 488 T CA 1.554 63.755 62.100 0.168 0.000 1.116 488 T CB -0.473 68.492 68.868 0.163 0.000 0.878 488 T HN 0.603 nan 8.240 nan 0.000 0.509 489 T N 0.291 114.908 114.554 0.105 0.000 3.007 489 T HA -0.036 4.314 4.350 -0.000 0.000 0.270 489 T C 1.625 176.397 174.700 0.120 0.000 1.107 489 T CA 1.226 63.386 62.100 0.100 0.000 1.118 489 T CB -0.709 68.194 68.868 0.058 0.000 0.889 489 T HN 0.654 nan 8.240 nan 0.000 0.506 490 T N -1.263 113.373 114.554 0.137 0.000 3.337 490 T HA 0.346 4.696 4.350 -0.000 0.000 0.299 490 T C -0.010 174.838 174.700 0.247 0.000 0.998 490 T CA -0.827 61.364 62.100 0.151 0.000 0.948 490 T CB -0.094 68.828 68.868 0.091 0.000 1.170 490 T HN 0.263 nan 8.240 nan 0.000 0.508 491 N N 1.377 120.273 118.700 0.327 0.000 2.732 491 N HA 0.159 4.899 4.740 -0.000 0.000 0.235 491 N C 0.392 176.202 175.510 0.500 0.000 1.466 491 N CA -0.263 53.089 53.050 0.503 0.000 0.751 491 N CB 1.693 40.577 38.487 0.661 0.000 1.317 491 N HN 0.068 nan 8.380 nan 0.000 0.525 492 L N 1.952 123.408 121.223 0.389 0.000 2.189 492 L HA -0.158 4.182 4.340 -0.000 0.000 0.214 492 L C 2.386 179.487 176.870 0.385 0.000 1.097 492 L CA 2.021 57.073 54.840 0.354 0.000 0.764 492 L CB -0.083 42.149 42.059 0.289 0.000 0.900 492 L HN 0.405 nan 8.230 nan 0.000 0.436 493 E N -1.565 118.848 120.200 0.355 0.000 2.268 493 E HA -0.271 4.079 4.350 -0.000 0.000 0.195 493 E C 1.773 178.454 176.600 0.135 0.000 0.995 493 E CA 1.439 57.972 56.400 0.222 0.000 0.836 493 E CB -0.980 28.767 29.700 0.078 0.000 0.763 493 E HN 0.706 nan 8.360 nan 0.000 0.491 494 W N 0.489 121.930 121.300 0.236 0.000 2.905 494 W HA 0.175 4.835 4.660 -0.000 0.000 0.251 494 W C 1.828 178.425 176.519 0.130 0.000 1.305 494 W CA -0.357 57.085 57.345 0.162 0.000 1.465 494 W CB 0.033 29.576 29.460 0.140 0.000 1.122 494 W HN 0.097 nan 8.180 nan 0.000 0.659 495 L N 0.844 122.268 121.223 0.336 0.000 2.395 495 L HA 0.047 4.387 4.340 -0.000 0.000 0.218 495 L C 1.261 178.208 176.870 0.129 0.000 1.130 495 L CA 1.499 56.479 54.840 0.233 0.000 0.826 495 L CB -0.428 41.770 42.059 0.233 0.000 0.941 495 L HN -0.050 nan 8.230 nan 0.000 0.451 496 N N 0.528 119.280 118.700 0.086 0.000 2.313 496 N HA 0.215 4.955 4.740 -0.000 0.000 0.207 496 N C 0.657 176.194 175.510 0.044 0.000 1.141 496 N CA 0.769 53.819 53.050 -0.000 0.000 0.830 496 N CB 0.272 38.685 38.487 -0.124 0.000 1.008 496 N HN 0.386 nan 8.380 nan 0.000 0.481 497 G N 0.308 109.170 108.800 0.104 0.000 2.757 497 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.638 497 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.638 497 G C -0.901 174.056 174.900 0.096 0.000 1.344 497 G CA -0.797 44.363 45.100 0.100 0.000 0.855 497 G HN 0.305 nan 8.290 nan 0.000 0.537 498 C N 2.408 121.749 119.300 0.069 0.000 2.383 498 C HA 0.680 5.140 4.460 -0.000 0.000 0.330 498 C C -1.691 173.278 174.990 -0.036 0.000 1.168 498 C CA -0.777 58.254 59.018 0.022 0.000 1.374 498 C CB 1.322 29.098 27.740 0.058 0.000 2.014 498 C HN 0.799 nan 8.230 nan 0.000 0.439 499 P HA 0.363 nan 4.420 nan 0.000 0.277 499 P C -2.579 174.773 177.300 0.086 0.000 1.240 499 P CA -1.214 61.912 63.100 0.044 0.000 0.798 499 P CB 0.319 32.075 31.700 0.093 0.000 0.979 500 P HA 0.264 nan 4.420 nan 0.000 0.274 500 P C -2.471 174.853 177.300 0.040 0.000 1.246 500 P CA -1.539 61.608 63.100 0.078 0.000 0.795 500 P CB -1.169 30.589 31.700 0.095 0.000 1.006 501 P HA 0.003 nan 4.420 nan 0.000 0.269 501 P C 0.916 178.209 177.300 -0.011 0.000 1.217 501 P CA 0.050 63.159 63.100 0.015 0.000 0.783 501 P CB 0.096 31.804 31.700 0.014 0.000 0.898 502 Y N 0.623 120.816 120.300 -0.179 0.000 2.062 502 Y HA -0.267 4.283 4.550 -0.000 0.000 0.276 502 Y C 1.129 176.805 175.900 -0.374 0.000 1.189 502 Y CA 1.730 59.632 58.100 -0.330 0.000 1.130 502 Y CB -0.018 38.205 38.460 -0.394 0.000 0.959 502 Y HN 0.328 nan 8.280 nan 0.000 0.499 503 H N 0.259 119.337 119.070 0.013 0.000 2.504 503 H HA 0.305 4.861 4.556 -0.000 0.000 0.322 503 H C -0.119 175.184 175.328 -0.041 0.000 1.055 503 H CA 0.151 56.175 56.048 -0.041 0.000 1.231 503 H CB 1.021 30.801 29.762 0.030 0.000 1.417 503 H HN 0.140 nan 8.280 nan 0.000 0.472 504 T N -0.908 113.693 114.554 0.079 0.000 2.932 504 T HA 0.381 4.731 4.350 -0.000 0.000 0.289 504 T C 0.091 174.829 174.700 0.062 0.000 1.039 504 T CA -0.805 61.251 62.100 -0.074 0.000 1.024 504 T CB 1.304 70.056 68.868 -0.193 0.000 1.090 504 T HN 0.437 nan 8.240 nan 0.000 0.496 505 F N -0.503 119.481 119.950 0.057 0.000 3.093 505 F HA -0.213 4.314 4.527 -0.000 0.000 0.287 505 F C 1.300 177.111 175.800 0.018 0.000 0.882 505 F CA 0.575 58.596 58.000 0.035 0.000 1.063 505 F CB -2.558 36.454 39.000 0.021 0.000 1.097 505 F HN 0.809 nan 8.300 nan 0.000 0.604 506 E N 0.332 120.601 120.200 0.115 0.000 2.110 506 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 506 E C 1.068 177.705 176.600 0.060 0.000 0.988 506 E CA 1.356 57.789 56.400 0.055 0.000 0.804 506 E CB 0.037 29.743 29.700 0.009 0.000 0.745 506 E HN 0.643 nan 8.360 nan 0.000 0.458 507 E N 1.957 122.203 120.200 0.077 0.000 2.109 507 E HA 0.145 4.495 4.350 -0.000 0.000 0.278 507 E C -2.325 174.371 176.600 0.160 0.000 0.954 507 E CA -2.664 53.790 56.400 0.090 0.000 0.779 507 E CB 0.967 30.707 29.700 0.067 0.000 1.093 507 E HN -0.149 nan 8.360 nan 0.000 0.401 508 P HA 0.041 nan 4.420 nan 0.000 0.275 508 P C -0.238 177.189 177.300 0.212 0.000 1.266 508 P CA -0.423 62.789 63.100 0.186 0.000 0.793 508 P CB 0.543 32.290 31.700 0.078 0.000 1.074 509 T N -1.984 112.700 114.554 0.216 0.000 2.766 509 T HA 0.193 4.543 4.350 -0.000 0.000 0.295 509 T C -0.518 174.290 174.700 0.181 0.000 1.024 509 T CA -0.154 62.079 62.100 0.221 0.000 1.018 509 T CB 0.088 69.060 68.868 0.173 0.000 1.002 509 T HN 0.422 nan 8.240 nan 0.000 0.532 510 Y N 0.478 120.818 120.300 0.067 0.000 2.341 510 Y HA 0.587 5.137 4.550 -0.000 0.000 0.338 510 Y C -1.509 174.413 175.900 0.037 0.000 0.965 510 Y CA -1.305 56.821 58.100 0.044 0.000 1.108 510 Y CB 1.200 39.686 38.460 0.043 0.000 1.180 510 Y HN 0.596 nan 8.280 nan 0.000 0.458 511 V N 6.497 126.198 119.914 -0.355 0.000 2.525 511 V HA 0.324 4.444 4.120 -0.000 0.000 0.299 511 V C -0.553 175.308 176.094 -0.387 0.000 1.034 511 V CA -1.163 61.005 62.300 -0.220 0.000 0.863 511 V CB 1.681 33.450 31.823 -0.090 0.000 0.999 511 V HN 0.893 nan 8.190 nan 0.000 0.423 512 N N 2.288 120.838 118.700 -0.250 0.000 2.445 512 N HA 0.482 5.222 4.740 -0.000 0.000 0.264 512 N C 0.689 176.145 175.510 -0.090 0.000 1.227 512 N CA -0.570 52.373 53.050 -0.178 0.000 0.963 512 N CB 1.459 39.947 38.487 0.001 0.000 1.188 512 N HN 0.580 nan 8.380 nan 0.000 0.491 513 L N 1.125 122.308 121.223 -0.066 0.000 2.187 513 L HA 0.234 4.574 4.340 -0.000 0.000 0.197 513 L C 0.278 177.144 176.870 -0.007 0.000 1.090 513 L CA 0.691 55.512 54.840 -0.032 0.000 0.781 513 L CB -0.133 41.908 42.059 -0.030 0.000 0.956 513 L HN 0.676 nan 8.230 nan 0.000 0.463 514 K N 0.000 120.401 120.400 0.001 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.294 56.287 0.012 0.000 0.838 514 K CB 0.000 32.509 32.500 0.015 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543