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 3ag3_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.800 175.800 0.000 0.000 0.967 2 F CA 0.000 58.045 58.000 0.075 0.000 1.383 2 F CB 0.000 39.048 39.000 0.081 0.000 1.145 3 I N 1.721 122.324 120.570 0.056 0.000 2.286 3 I HA -0.260 3.910 4.170 -0.000 0.000 0.248 3 I C 1.682 177.433 176.117 -0.611 0.000 1.115 3 I CA 1.533 62.667 61.300 -0.276 0.000 1.392 3 I CB -0.424 37.364 38.000 -0.353 0.000 1.065 3 I HN 0.297 nan 8.210 nan 0.000 0.418 4 N N 0.587 119.034 118.700 -0.422 0.000 2.120 4 N HA -0.188 4.552 4.740 -0.000 0.000 0.188 4 N C 1.905 177.258 175.510 -0.263 0.000 1.024 4 N CA 1.165 54.042 53.050 -0.289 0.000 0.852 4 N CB -0.306 38.124 38.487 -0.095 0.000 1.003 4 N HN 0.310 nan 8.380 nan 0.000 0.424 5 R N -1.062 119.200 120.500 -0.396 0.000 2.075 5 R HA -0.041 4.299 4.340 -0.000 0.000 0.226 5 R C 1.306 177.147 176.300 -0.765 0.000 1.114 5 R CA 1.218 56.939 56.100 -0.632 0.000 0.972 5 R CB -0.061 29.709 30.300 -0.884 0.000 0.869 5 R HN 0.254 nan 8.270 nan 0.000 0.437 6 W N -1.324 119.757 121.300 -0.365 0.000 2.915 6 W HA 0.197 4.857 4.660 -0.000 0.000 0.276 6 W C 1.140 177.663 176.519 0.008 0.000 1.215 6 W CA -0.531 56.640 57.345 -0.289 0.000 1.514 6 W CB 0.426 29.520 29.460 -0.609 0.000 1.017 6 W HN 0.040 nan 8.180 nan 0.000 0.598 7 L N -1.330 119.925 121.223 0.053 0.000 2.575 7 L HA 0.190 4.530 4.340 -0.000 0.000 0.228 7 L C 0.819 177.888 176.870 0.332 0.000 1.075 7 L CA 0.859 55.774 54.840 0.125 0.000 0.867 7 L CB -0.400 41.485 42.059 -0.290 0.000 1.097 7 L HN -0.160 nan 8.230 nan 0.000 0.485 8 F N -1.068 118.888 119.950 0.010 0.000 2.668 8 F HA 0.373 4.900 4.527 -0.000 0.000 0.297 8 F C 1.347 177.147 175.800 -0.001 0.000 1.124 8 F CA -1.064 56.933 58.000 -0.005 0.000 1.353 8 F CB -1.293 37.681 39.000 -0.043 0.000 0.992 8 F HN -0.182 nan 8.300 nan 0.000 0.524 9 S N 0.826 116.635 115.700 0.181 0.000 2.569 9 S HA 0.218 4.688 4.470 -0.000 0.000 0.274 9 S C 1.070 175.703 174.600 0.055 0.000 1.353 9 S CA 0.599 58.818 58.200 0.032 0.000 1.023 9 S CB 0.378 63.540 63.200 -0.063 0.000 0.876 9 S HN 0.478 nan 8.310 nan 0.000 0.540 10 T N 0.781 115.338 114.554 0.004 0.000 3.604 10 T HA 0.304 4.654 4.350 -0.000 0.000 0.305 10 T C -0.397 174.265 174.700 -0.064 0.000 0.978 10 T CA -0.718 61.384 62.100 0.003 0.000 0.999 10 T CB -0.546 68.343 68.868 0.034 0.000 1.204 10 T HN 0.525 nan 8.240 nan 0.000 0.476 11 N N 1.362 119.956 118.700 -0.176 0.000 2.372 11 N HA 0.169 4.909 4.740 -0.000 0.000 0.285 11 N C 0.961 176.235 175.510 -0.393 0.000 1.008 11 N CA -0.328 52.498 53.050 -0.373 0.000 0.880 11 N CB 1.606 39.658 38.487 -0.725 0.000 1.239 11 N HN 0.548 nan 8.380 nan 0.000 0.484 12 H N 3.131 121.971 119.070 -0.382 0.000 2.421 12 H HA 0.028 4.584 4.556 -0.000 0.000 0.298 12 H C 0.986 175.963 175.328 -0.585 0.000 1.087 12 H CA 1.385 57.212 56.048 -0.368 0.000 1.330 12 H CB 0.329 29.918 29.762 -0.288 0.000 1.388 12 H HN 0.499 nan 8.280 nan 0.000 0.526 13 K N 0.171 119.678 120.400 -1.488 0.000 2.044 13 K HA -0.072 4.248 4.320 -0.000 0.000 0.204 13 K C 1.486 177.346 176.600 -1.234 0.000 1.049 13 K CA 1.234 56.379 56.287 -1.903 0.000 0.945 13 K CB 0.143 31.455 32.500 -1.980 0.000 0.724 13 K HN 0.269 nan 8.250 nan 0.000 0.440 14 D N 1.110 121.059 120.400 -0.751 0.000 2.178 14 D HA -0.065 4.575 4.640 -0.000 0.000 0.202 14 D C 1.857 178.020 176.300 -0.228 0.000 0.974 14 D CA 0.843 54.630 54.000 -0.355 0.000 0.841 14 D CB -0.095 40.378 40.800 -0.545 0.000 0.953 14 D HN 0.129 nan 8.370 nan 0.000 0.478 15 I N 0.863 121.244 120.570 -0.315 0.000 2.179 15 I HA -0.175 3.995 4.170 -0.000 0.000 0.242 15 I C 2.532 178.587 176.117 -0.103 0.000 1.088 15 I CA 1.371 62.540 61.300 -0.219 0.000 1.357 15 I CB -0.473 37.469 38.000 -0.097 0.000 1.051 15 I HN 0.025 nan 8.210 nan 0.000 0.409 16 G N -0.016 108.673 108.800 -0.185 0.000 2.442 16 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.219 16 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.219 16 G C 1.657 176.595 174.900 0.063 0.000 1.141 16 G CA 1.513 46.572 45.100 -0.069 0.000 0.763 16 G HN 0.294 nan 8.290 nan 0.000 0.554 17 T N 1.193 115.764 114.554 0.028 0.000 2.777 17 T HA 0.001 4.351 4.350 -0.000 0.000 0.266 17 T C 2.432 177.153 174.700 0.035 0.000 1.040 17 T CA 0.764 62.978 62.100 0.190 0.000 1.141 17 T CB -0.195 68.839 68.868 0.277 0.000 0.868 17 T HN 0.160 nan 8.240 nan 0.000 0.444 18 L N -0.402 120.727 121.223 -0.157 0.000 2.013 18 L HA -0.178 4.162 4.340 -0.000 0.000 0.212 18 L C 2.382 179.050 176.870 -0.336 0.000 1.073 18 L CA 1.702 56.218 54.840 -0.540 0.000 0.753 18 L CB -0.591 40.654 42.059 -1.356 0.000 0.890 18 L HN 0.291 nan 8.230 nan 0.000 0.432 19 Y N -0.328 119.847 120.300 -0.208 0.000 2.242 19 Y HA -0.188 4.362 4.550 -0.000 0.000 0.291 19 Y C 2.389 178.424 175.900 0.225 0.000 1.137 19 Y CA 1.086 59.282 58.100 0.161 0.000 1.181 19 Y CB -0.273 38.266 38.460 0.131 0.000 0.989 19 Y HN 0.058 nan 8.280 nan 0.000 0.527 20 L N -0.953 120.445 121.223 0.290 0.000 2.046 20 L HA -0.254 4.086 4.340 -0.000 0.000 0.208 20 L C 2.190 179.216 176.870 0.260 0.000 1.077 20 L CA 1.219 56.196 54.840 0.229 0.000 0.747 20 L CB -0.681 41.478 42.059 0.165 0.000 0.896 20 L HN 0.256 nan 8.230 nan 0.000 0.432 21 L N -1.446 119.918 121.223 0.235 0.000 2.056 21 L HA -0.223 4.117 4.340 -0.000 0.000 0.207 21 L C 2.538 179.593 176.870 0.309 0.000 1.078 21 L CA 1.214 56.186 54.840 0.221 0.000 0.749 21 L CB -0.490 41.644 42.059 0.125 0.000 0.901 21 L HN 0.148 nan 8.230 nan 0.000 0.433 22 F N 0.824 120.912 119.950 0.231 0.000 2.095 22 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 22 F C 2.226 178.254 175.800 0.379 0.000 1.104 22 F CA 1.803 59.989 58.000 0.309 0.000 1.232 22 F CB -0.506 38.706 39.000 0.354 0.000 0.987 22 F HN -0.005 nan 8.300 nan 0.000 0.475 23 G N -0.620 108.520 108.800 0.566 0.000 2.422 23 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.218 23 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.218 23 G C 1.736 176.774 174.900 0.230 0.000 1.140 23 G CA 0.639 45.980 45.100 0.401 0.000 0.775 23 G HN 0.611 nan 8.290 nan 0.000 0.545 24 A N -0.107 122.838 122.820 0.208 0.000 1.930 24 A HA 0.003 4.323 4.320 -0.000 0.000 0.217 24 A C 2.105 179.773 177.584 0.140 0.000 1.175 24 A CA 1.410 53.519 52.037 0.119 0.000 0.627 24 A CB -0.645 18.412 19.000 0.095 0.000 0.815 24 A HN 0.510 nan 8.150 nan 0.000 0.443 25 W N 0.620 121.921 121.300 0.002 0.000 2.355 25 W HA -0.138 4.522 4.660 -0.000 0.000 0.309 25 W C 2.543 179.064 176.519 0.003 0.000 1.206 25 W CA 2.351 59.680 57.345 -0.027 0.000 1.284 25 W CB -0.213 29.202 29.460 -0.074 0.000 1.145 25 W HN 0.354 nan 8.180 nan 0.000 0.502 26 A N 0.473 123.437 122.820 0.240 0.000 1.908 26 A HA -0.137 4.183 4.320 -0.000 0.000 0.218 26 A C 2.207 179.839 177.584 0.081 0.000 1.181 26 A CA 2.148 54.317 52.037 0.221 0.000 0.627 26 A CB -1.743 17.328 19.000 0.119 0.000 0.818 26 A HN 0.431 nan 8.150 nan 0.000 0.445 27 G N -1.020 107.817 108.800 0.061 0.000 2.450 27 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.220 27 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.220 27 G C 1.446 176.332 174.900 -0.023 0.000 1.130 27 G CA 1.365 46.486 45.100 0.035 0.000 0.760 27 G HN 0.376 nan 8.290 nan 0.000 0.557 28 M N 0.360 119.885 119.600 -0.125 0.000 2.200 28 M HA 0.046 4.526 4.480 -0.000 0.000 0.265 28 M C 2.774 178.952 176.300 -0.204 0.000 1.066 28 M CA 0.564 55.749 55.300 -0.190 0.000 1.127 28 M CB -1.149 31.256 32.600 -0.325 0.000 1.379 28 M HN 0.110 nan 8.290 nan 0.000 0.420 29 V N 0.582 120.333 119.914 -0.270 0.000 2.287 29 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 29 V C 2.662 178.773 176.094 0.029 0.000 1.053 29 V CA 2.216 64.425 62.300 -0.153 0.000 1.027 29 V CB -1.812 29.988 31.823 -0.039 0.000 0.646 29 V HN 0.554 nan 8.190 nan 0.000 0.447 30 G N -0.850 108.003 108.800 0.088 0.000 2.422 30 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.218 30 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.218 30 G C 1.693 176.716 174.900 0.205 0.000 1.146 30 G CA 1.467 46.674 45.100 0.180 0.000 0.769 30 G HN 0.474 nan 8.290 nan 0.000 0.547 31 T N 1.644 116.259 114.554 0.102 0.000 2.737 31 T HA 0.044 4.394 4.350 -0.000 0.000 0.265 31 T C 2.849 177.566 174.700 0.028 0.000 1.038 31 T CA 1.439 63.584 62.100 0.076 0.000 1.144 31 T CB -0.403 68.481 68.868 0.027 0.000 0.866 31 T HN 0.357 nan 8.240 nan 0.000 0.434 32 A N 1.249 124.064 122.820 -0.008 0.000 1.917 32 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 32 A C 2.290 179.878 177.584 0.006 0.000 1.182 32 A CA 1.386 53.409 52.037 -0.023 0.000 0.633 32 A CB -0.922 18.048 19.000 -0.050 0.000 0.819 32 A HN 0.480 nan 8.150 nan 0.000 0.448 33 L N 0.250 121.500 121.223 0.045 0.000 2.056 33 L HA -0.184 4.156 4.340 -0.000 0.000 0.207 33 L C 3.045 179.879 176.870 -0.061 0.000 1.078 33 L CA 1.629 56.494 54.840 0.042 0.000 0.749 33 L CB -0.492 41.657 42.059 0.150 0.000 0.901 33 L HN 0.615 nan 8.230 nan 0.000 0.433 34 S N -0.159 115.467 115.700 -0.124 0.000 2.399 34 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 34 S C 1.933 176.472 174.600 -0.101 0.000 1.022 34 S CA 0.921 58.925 58.200 -0.326 0.000 0.983 34 S CB -0.585 62.497 63.200 -0.196 0.000 0.803 34 S HN 0.367 nan 8.310 nan 0.000 0.480 35 L N 0.305 121.515 121.223 -0.021 0.000 2.109 35 L HA 0.101 4.441 4.340 -0.000 0.000 0.207 35 L C 2.593 179.513 176.870 0.084 0.000 1.086 35 L CA 0.792 55.661 54.840 0.049 0.000 0.760 35 L CB -0.484 41.582 42.059 0.013 0.000 0.910 35 L HN 0.297 nan 8.230 nan 0.000 0.437 36 L N -0.404 120.849 121.223 0.049 0.000 2.083 36 L HA -0.245 4.095 4.340 -0.000 0.000 0.209 36 L C 2.436 179.376 176.870 0.116 0.000 1.083 36 L CA 1.354 56.240 54.840 0.078 0.000 0.752 36 L CB -0.335 41.756 42.059 0.053 0.000 0.899 36 L HN 0.199 nan 8.230 nan 0.000 0.433 37 I N -0.821 119.788 120.570 0.065 0.000 2.127 37 I HA -0.297 3.873 4.170 -0.000 0.000 0.241 37 I C 2.663 178.913 176.117 0.222 0.000 1.075 37 I CA 1.260 62.653 61.300 0.154 0.000 1.334 37 I CB -0.335 37.665 38.000 -0.000 0.000 1.040 37 I HN 0.223 nan 8.210 nan 0.000 0.405 38 R N 0.552 121.120 120.500 0.114 0.000 2.189 38 R HA 0.013 4.353 4.340 -0.000 0.000 0.218 38 R C 2.192 178.549 176.300 0.095 0.000 1.074 38 R CA 1.171 57.323 56.100 0.087 0.000 0.991 38 R CB -0.296 30.024 30.300 0.033 0.000 0.883 38 R HN 0.369 nan 8.270 nan 0.000 0.457 39 A N 0.902 123.799 122.820 0.127 0.000 1.970 39 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 39 A C 2.023 179.664 177.584 0.095 0.000 1.170 39 A CA 1.153 53.253 52.037 0.104 0.000 0.645 39 A CB -0.150 18.935 19.000 0.141 0.000 0.816 39 A HN 0.179 nan 8.150 nan 0.000 0.447 40 E N 0.547 120.833 120.200 0.145 0.000 2.110 40 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 40 E C 1.532 178.166 176.600 0.057 0.000 0.988 40 E CA 1.351 57.817 56.400 0.109 0.000 0.804 40 E CB -0.386 29.437 29.700 0.205 0.000 0.745 40 E HN 0.580 nan 8.360 nan 0.000 0.458 41 L N -0.927 120.371 121.223 0.124 0.000 2.558 41 L HA 0.262 4.602 4.340 -0.000 0.000 0.225 41 L C 1.974 178.969 176.870 0.208 0.000 1.128 41 L CA 0.449 55.409 54.840 0.200 0.000 0.868 41 L CB 0.113 42.293 42.059 0.201 0.000 1.006 41 L HN 0.209 nan 8.230 nan 0.000 0.454 42 G N -0.124 108.732 108.800 0.093 0.000 2.985 42 G HA2 0.021 3.981 3.960 -0.000 0.000 0.209 42 G HA3 0.021 3.981 3.960 -0.000 0.000 0.209 42 G C 0.442 175.372 174.900 0.050 0.000 1.165 42 G CA -0.027 45.096 45.100 0.038 0.000 0.776 42 G HN 0.466 nan 8.290 nan 0.000 0.541 43 Q N -0.317 119.523 119.800 0.068 0.000 2.501 43 Q HA 0.569 4.909 4.340 -0.000 0.000 0.288 43 Q C -3.163 172.841 176.000 0.007 0.000 1.051 43 Q CA -2.271 53.573 55.803 0.068 0.000 0.788 43 Q CB 2.262 31.002 28.738 0.004 0.000 1.469 43 Q HN -0.110 nan 8.270 nan 0.000 0.416 44 P HA 0.326 nan 4.420 nan 0.000 0.271 44 P C 0.322 177.491 177.300 -0.218 0.000 1.218 44 P CA 1.290 64.221 63.100 -0.282 0.000 0.780 44 P CB 0.704 32.315 31.700 -0.148 0.000 0.901 45 G N 0.314 108.943 108.800 -0.285 0.000 2.548 45 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.208 45 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.208 45 G C -0.912 173.886 174.900 -0.169 0.000 1.308 45 G CA -0.225 44.767 45.100 -0.180 0.000 0.924 45 G HN 0.749 nan 8.290 nan 0.000 0.540 46 T N -0.370 114.117 114.554 -0.112 0.000 2.855 46 T HA 0.592 4.942 4.350 -0.000 0.000 0.281 46 T C 1.023 175.694 174.700 -0.047 0.000 1.007 46 T CA 0.483 62.529 62.100 -0.088 0.000 1.009 46 T CB 1.398 70.224 68.868 -0.070 0.000 0.983 46 T HN 1.426 nan 8.240 nan 0.000 0.455 47 L N 4.775 125.984 121.223 -0.023 0.000 2.433 47 L HA 0.500 4.840 4.340 -0.000 0.000 0.200 47 L C 1.737 178.622 176.870 0.025 0.000 1.059 47 L CA 1.026 55.870 54.840 0.007 0.000 0.835 47 L CB -0.256 41.820 42.059 0.029 0.000 1.076 47 L HN 0.709 nan 8.230 nan 0.000 0.481 48 L N -0.186 121.063 121.223 0.043 0.000 2.270 48 L HA 0.251 4.591 4.340 -0.000 0.000 0.210 48 L C 1.540 178.433 176.870 0.039 0.000 1.104 48 L CA 0.743 55.618 54.840 0.059 0.000 0.804 48 L CB -0.701 41.419 42.059 0.103 0.000 0.937 48 L HN 0.555 nan 8.230 nan 0.000 0.450 49 G N 0.397 109.209 108.800 0.020 0.000 2.153 49 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.252 49 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.252 49 G C -0.077 174.834 174.900 0.019 0.000 0.994 49 G CA 0.476 45.581 45.100 0.008 0.000 0.698 49 G HN 0.420 nan 8.290 nan 0.000 0.521 50 D N -0.483 119.940 120.400 0.038 0.000 2.354 50 D HA 0.262 4.902 4.640 -0.000 0.000 0.230 50 D C 0.379 176.732 176.300 0.089 0.000 1.361 50 D CA -0.440 53.591 54.000 0.052 0.000 0.992 50 D CB 0.543 41.378 40.800 0.058 0.000 1.409 50 D HN -0.038 nan 8.370 nan 0.000 0.573 51 D N 1.798 122.241 120.400 0.071 0.000 2.277 51 D HA -0.127 4.513 4.640 -0.000 0.000 0.208 51 D C 1.615 178.015 176.300 0.167 0.000 0.962 51 D CA 0.572 54.642 54.000 0.117 0.000 0.865 51 D CB 0.530 41.350 40.800 0.035 0.000 0.939 51 D HN 0.401 nan 8.370 nan 0.000 0.510 52 Q N 1.214 121.082 119.800 0.114 0.000 2.030 52 Q HA -0.110 4.230 4.340 -0.000 0.000 0.204 52 Q C 2.089 178.172 176.000 0.138 0.000 0.986 52 Q CA 1.242 57.115 55.803 0.118 0.000 0.843 52 Q CB -0.428 28.355 28.738 0.075 0.000 0.904 52 Q HN 0.291 nan 8.270 nan 0.000 0.420 53 I N -0.383 120.263 120.570 0.127 0.000 2.226 53 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 53 I C 2.056 178.253 176.117 0.134 0.000 1.100 53 I CA 1.341 62.712 61.300 0.119 0.000 1.374 53 I CB -0.400 37.663 38.000 0.105 0.000 1.057 53 I HN 0.317 nan 8.210 nan 0.000 0.413 54 Y N 2.169 122.511 120.300 0.071 0.000 2.207 54 Y HA -0.293 4.257 4.550 -0.000 0.000 0.287 54 Y C 2.325 178.283 175.900 0.098 0.000 1.156 54 Y CA 1.769 59.916 58.100 0.079 0.000 1.182 54 Y CB -0.173 38.329 38.460 0.069 0.000 0.979 54 Y HN 0.196 nan 8.280 nan 0.000 0.521 55 N N -0.225 118.556 118.700 0.136 0.000 2.216 55 N HA -0.145 4.595 4.740 -0.000 0.000 0.183 55 N C 1.939 177.460 175.510 0.018 0.000 1.017 55 N CA 1.516 54.616 53.050 0.083 0.000 0.861 55 N CB -0.604 37.986 38.487 0.172 0.000 0.986 55 N HN 0.289 nan 8.380 nan 0.000 0.428 56 V N 0.699 120.652 119.914 0.063 0.000 2.332 56 V HA -0.183 3.937 4.120 -0.000 0.000 0.248 56 V C 2.373 178.495 176.094 0.046 0.000 1.055 56 V CA 1.203 63.549 62.300 0.077 0.000 1.038 56 V CB -0.538 31.348 31.823 0.106 0.000 0.651 56 V HN 0.072 nan 8.190 nan 0.000 0.450 57 V N -0.417 119.480 119.914 -0.029 0.000 2.307 57 V HA -0.209 3.911 4.120 -0.000 0.000 0.245 57 V C 2.415 178.480 176.094 -0.049 0.000 1.045 57 V CA 1.925 64.201 62.300 -0.040 0.000 1.024 57 V CB -0.318 31.440 31.823 -0.108 0.000 0.651 57 V HN 0.415 nan 8.190 nan 0.000 0.449 58 V N -0.207 119.595 119.914 -0.186 0.000 2.407 58 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 58 V C 2.508 178.620 176.094 0.029 0.000 1.055 58 V CA 2.580 64.827 62.300 -0.089 0.000 1.049 58 V CB -0.930 30.790 31.823 -0.172 0.000 0.662 58 V HN 0.614 nan 8.190 nan 0.000 0.455 59 T N 0.127 114.685 114.554 0.006 0.000 2.812 59 T HA -0.029 4.321 4.350 -0.000 0.000 0.264 59 T C 2.077 176.786 174.700 0.015 0.000 1.042 59 T CA 1.372 63.449 62.100 -0.038 0.000 1.140 59 T CB -0.315 68.575 68.868 0.038 0.000 0.870 59 T HN 0.550 nan 8.240 nan 0.000 0.445 60 A N 1.328 124.252 122.820 0.175 0.000 1.933 60 A HA -0.154 4.166 4.320 -0.000 0.000 0.218 60 A C 1.965 179.692 177.584 0.239 0.000 1.175 60 A CA 2.237 54.448 52.037 0.291 0.000 0.628 60 A CB -0.976 18.187 19.000 0.272 0.000 0.814 60 A HN 0.678 nan 8.150 nan 0.000 0.444 61 H N 0.448 119.562 119.070 0.074 0.000 2.289 61 H HA -0.111 4.445 4.556 -0.000 0.000 0.296 61 H C 2.099 177.425 175.328 -0.004 0.000 1.091 61 H CA 2.560 58.638 56.048 0.050 0.000 1.274 61 H CB -0.469 29.311 29.762 0.031 0.000 1.364 61 H HN 0.361 nan 8.280 nan 0.000 0.490 62 A N -0.212 122.432 122.820 -0.292 0.000 1.877 62 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 62 A C 2.274 179.627 177.584 -0.387 0.000 1.186 62 A CA 1.499 53.189 52.037 -0.578 0.000 0.620 62 A CB -1.054 17.525 19.000 -0.702 0.000 0.822 62 A HN 0.455 nan 8.150 nan 0.000 0.443 63 F N -0.133 119.781 119.950 -0.060 0.000 2.146 63 F HA -0.109 4.418 4.527 -0.000 0.000 0.298 63 F C 2.486 178.224 175.800 -0.103 0.000 1.096 63 F CA 1.085 59.115 58.000 0.049 0.000 1.275 63 F CB -0.830 38.214 39.000 0.074 0.000 1.008 63 F HN 0.017 nan 8.300 nan 0.000 0.480 64 V N -0.297 119.720 119.914 0.171 0.000 2.261 64 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 64 V C 2.503 178.598 176.094 0.002 0.000 1.047 64 V CA 1.574 63.961 62.300 0.145 0.000 1.015 64 V CB -0.531 31.446 31.823 0.256 0.000 0.642 64 V HN 0.218 nan 8.190 nan 0.000 0.446 65 M N -1.144 118.392 119.600 -0.107 0.000 2.159 65 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 65 M C 2.117 178.289 176.300 -0.214 0.000 1.063 65 M CA 1.906 57.113 55.300 -0.156 0.000 1.110 65 M CB -0.887 31.540 32.600 -0.288 0.000 1.374 65 M HN 0.294 nan 8.290 nan 0.000 0.411 66 I N -1.450 118.918 120.570 -0.337 0.000 2.296 66 I HA -0.202 3.968 4.170 -0.000 0.000 0.242 66 I C 1.806 177.621 176.117 -0.504 0.000 1.087 66 I CA 0.989 61.983 61.300 -0.509 0.000 1.393 66 I CB -0.137 37.385 38.000 -0.797 0.000 1.093 66 I HN 0.035 nan 8.210 nan 0.000 0.421 67 F N -0.841 118.921 119.950 -0.314 0.000 2.619 67 F HA 0.050 4.577 4.527 -0.000 0.000 0.293 67 F C 1.544 177.166 175.800 -0.297 0.000 1.119 67 F CA 0.703 58.464 58.000 -0.399 0.000 1.445 67 F CB 0.067 38.623 39.000 -0.740 0.000 1.119 67 F HN -0.049 nan 8.300 nan 0.000 0.573 68 F N -2.362 117.677 119.950 0.148 0.000 2.727 68 F HA 0.210 4.737 4.527 -0.000 0.000 0.302 68 F C 1.848 177.764 175.800 0.194 0.000 1.107 68 F CA -0.004 58.100 58.000 0.173 0.000 1.277 68 F CB -0.236 38.543 39.000 -0.368 0.000 1.079 68 F HN -0.111 nan 8.300 nan 0.000 0.594 69 M N -0.665 119.074 119.600 0.231 0.000 2.969 69 M HA 0.106 4.586 4.480 -0.000 0.000 0.234 69 M C 1.960 178.355 176.300 0.158 0.000 1.409 69 M CA 1.157 56.569 55.300 0.186 0.000 1.314 69 M CB -0.442 32.220 32.600 0.103 0.000 1.130 69 M HN -0.091 nan 8.290 nan 0.000 0.558 70 V N 1.709 121.655 119.914 0.053 0.000 2.244 70 V HA -0.289 3.831 4.120 -0.000 0.000 0.244 70 V C 2.535 178.669 176.094 0.067 0.000 1.042 70 V CA 2.018 64.341 62.300 0.037 0.000 1.006 70 V CB -0.707 31.078 31.823 -0.063 0.000 0.641 70 V HN 0.495 nan 8.190 nan 0.000 0.446 71 M N -0.226 119.387 119.600 0.021 0.000 2.117 71 M HA -0.089 4.391 4.480 -0.000 0.000 0.262 71 M C -0.155 176.215 176.300 0.118 0.000 1.065 71 M CA 2.088 57.411 55.300 0.038 0.000 1.114 71 M CB -1.660 30.937 32.600 -0.005 0.000 1.361 71 M HN 0.296 nan 8.290 nan 0.000 0.408 72 P HA -0.075 nan 4.420 nan 0.000 0.217 72 P C 1.428 178.877 177.300 0.248 0.000 1.150 72 P CA 1.274 64.569 63.100 0.325 0.000 0.832 72 P CB -0.151 31.922 31.700 0.621 0.000 0.787 73 I N -1.814 118.919 120.570 0.272 0.000 2.163 73 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 73 I C 2.532 178.842 176.117 0.320 0.000 1.081 73 I CA 1.655 63.113 61.300 0.264 0.000 1.353 73 I CB -0.484 37.692 38.000 0.293 0.000 1.054 73 I HN -0.106 nan 8.210 nan 0.000 0.407 74 M N -0.070 119.713 119.600 0.305 0.000 2.099 74 M HA -0.165 4.315 4.480 -0.000 0.000 0.262 74 M C 2.239 178.679 176.300 0.235 0.000 1.067 74 M CA 2.074 57.583 55.300 0.348 0.000 1.124 74 M CB -0.107 32.603 32.600 0.183 0.000 1.353 74 M HN 0.180 nan 8.290 nan 0.000 0.410 75 I N -1.579 119.019 120.570 0.047 0.000 2.556 75 I HA 0.014 4.184 4.170 -0.000 0.000 0.251 75 I C 2.471 178.505 176.117 -0.139 0.000 1.105 75 I CA 0.938 62.163 61.300 -0.125 0.000 1.436 75 I CB -0.628 37.291 38.000 -0.134 0.000 1.139 75 I HN 0.271 nan 8.210 nan 0.000 0.438 76 G N 0.189 108.784 108.800 -0.342 0.000 2.430 76 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.216 76 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.216 76 G C 1.552 176.124 174.900 -0.547 0.000 1.146 76 G CA 0.791 45.241 45.100 -1.084 0.000 0.793 76 G HN 0.470 nan 8.290 nan 0.000 0.537 77 G N 0.362 109.080 108.800 -0.136 0.000 2.564 77 G HA2 0.113 4.073 3.960 -0.000 0.000 0.212 77 G HA3 0.113 4.073 3.960 -0.000 0.000 0.212 77 G C 1.464 176.353 174.900 -0.019 0.000 1.199 77 G CA 0.152 45.245 45.100 -0.011 0.000 0.832 77 G HN 0.269 nan 8.290 nan 0.000 0.565 78 F N 1.865 121.905 119.950 0.150 0.000 2.234 78 F HA 0.071 4.598 4.527 -0.000 0.000 0.299 78 F C 2.871 178.798 175.800 0.213 0.000 1.087 78 F CA 0.896 58.965 58.000 0.116 0.000 1.340 78 F CB -0.255 38.746 39.000 0.002 0.000 1.031 78 F HN 0.219 nan 8.300 nan 0.000 0.500 79 G N -0.009 109.018 108.800 0.378 0.000 2.433 79 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.216 79 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.216 79 G C 1.670 176.822 174.900 0.421 0.000 1.186 79 G CA 0.919 46.140 45.100 0.201 0.000 0.779 79 G HN 0.232 nan 8.290 nan 0.000 0.543 80 N N -0.202 118.736 118.700 0.396 0.000 2.216 80 N HA -0.081 4.659 4.740 -0.000 0.000 0.183 80 N C 1.953 177.605 175.510 0.236 0.000 1.017 80 N CA 0.710 53.934 53.050 0.290 0.000 0.861 80 N CB -0.256 38.293 38.487 0.103 0.000 0.986 80 N HN 0.538 nan 8.380 nan 0.000 0.428 81 W N 1.478 122.778 121.300 0.001 0.000 2.317 81 W HA -0.079 4.581 4.660 -0.000 0.000 0.318 81 W C 2.061 178.612 176.519 0.054 0.000 1.227 81 W CA 0.845 58.117 57.345 -0.123 0.000 1.269 81 W CB -0.226 28.849 29.460 -0.641 0.000 1.155 81 W HN 0.033 nan 8.180 nan 0.000 0.484 82 L N -1.928 119.482 121.223 0.312 0.000 2.425 82 L HA -0.039 4.301 4.340 -0.000 0.000 0.215 82 L C 2.001 178.987 176.870 0.193 0.000 1.065 82 L CA -0.044 54.895 54.840 0.165 0.000 0.842 82 L CB -0.837 41.145 42.059 -0.127 0.000 1.033 82 L HN -0.205 nan 8.230 nan 0.000 0.474 83 V N 1.099 121.159 119.914 0.243 0.000 2.261 83 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 83 V C -0.266 175.834 176.094 0.009 0.000 1.047 83 V CA 2.151 64.540 62.300 0.148 0.000 1.015 83 V CB -1.372 30.562 31.823 0.185 0.000 0.642 83 V HN 0.299 nan 8.190 nan 0.000 0.446 84 P HA -0.125 nan 4.420 nan 0.000 0.216 84 P C 1.838 179.019 177.300 -0.198 0.000 1.150 84 P CA 1.386 64.307 63.100 -0.298 0.000 0.837 84 P CB -0.073 31.151 31.700 -0.794 0.000 0.786 85 L N -2.158 119.064 121.223 -0.002 0.000 2.093 85 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 85 L C 2.455 179.362 176.870 0.062 0.000 1.085 85 L CA 1.455 56.405 54.840 0.183 0.000 0.755 85 L CB -0.857 41.400 42.059 0.330 0.000 0.904 85 L HN -0.018 nan 8.230 nan 0.000 0.435 86 M N -0.058 119.584 119.600 0.071 0.000 2.394 86 M HA -0.059 4.421 4.480 -0.000 0.000 0.264 86 M C 1.649 177.954 176.300 0.008 0.000 1.073 86 M CA 1.309 56.678 55.300 0.115 0.000 1.111 86 M CB 0.048 32.768 32.600 0.200 0.000 1.401 86 M HN 0.336 nan 8.290 nan 0.000 0.448 87 I N -4.073 116.428 120.570 -0.114 0.000 3.927 87 I HA 0.469 4.639 4.170 -0.000 0.000 0.332 87 I C 0.844 176.738 176.117 -0.372 0.000 1.485 87 I CA -0.096 61.096 61.300 -0.180 0.000 1.131 87 I CB -0.358 37.547 38.000 -0.159 0.000 1.092 87 I HN 0.302 nan 8.210 nan 0.000 0.410 88 G N 1.796 110.182 108.800 -0.690 0.000 2.203 88 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.263 88 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.263 88 G C 0.331 174.644 174.900 -0.979 0.000 1.012 88 G CA 0.234 44.432 45.100 -1.503 0.000 0.749 88 G HN 0.953 nan 8.290 nan 0.000 0.512 89 A N 0.071 122.543 122.820 -0.581 0.000 2.293 89 A HA 0.834 5.154 4.320 -0.000 0.000 0.302 89 A C -0.330 177.181 177.584 -0.122 0.000 1.119 89 A CA -0.900 50.967 52.037 -0.283 0.000 0.823 89 A CB 1.154 20.002 19.000 -0.253 0.000 1.097 89 A HN 0.115 nan 8.150 nan 0.000 0.491 90 P HA 0.102 nan 4.420 nan 0.000 0.251 90 P C -0.159 177.140 177.300 -0.001 0.000 1.223 90 P CA 0.769 63.903 63.100 0.056 0.000 0.796 90 P CB 0.515 32.235 31.700 0.034 0.000 1.068 91 D N -2.117 118.204 120.400 -0.132 0.000 3.010 91 D HA 0.144 4.784 4.640 -0.000 0.000 0.353 91 D C -0.561 175.577 176.300 -0.269 0.000 1.415 91 D CA -0.439 53.464 54.000 -0.162 0.000 0.864 91 D CB 0.653 41.434 40.800 -0.032 0.000 1.445 91 D HN -0.339 nan 8.370 nan 0.000 0.516 92 M N 0.888 120.341 119.600 -0.245 0.000 2.163 92 M HA 0.331 4.811 4.480 -0.000 0.000 0.305 92 M C 1.305 177.409 176.300 -0.327 0.000 1.166 92 M CA 0.050 55.165 55.300 -0.309 0.000 1.132 92 M CB 0.249 32.660 32.600 -0.315 0.000 1.413 92 M HN 0.598 nan 8.290 nan 0.000 0.478 93 A N 0.846 123.364 122.820 -0.504 0.000 1.898 93 A HA -0.025 4.295 4.320 -0.000 0.000 0.216 93 A C 0.463 177.635 177.584 -0.687 0.000 1.181 93 A CA 1.469 53.063 52.037 -0.739 0.000 0.620 93 A CB -0.185 18.031 19.000 -1.307 0.000 0.819 93 A HN 0.559 nan 8.150 nan 0.000 0.442 94 F N -0.897 118.987 119.950 -0.110 0.000 2.453 94 F HA 0.385 4.912 4.527 -0.000 0.000 0.358 94 F C -2.164 173.591 175.800 -0.076 0.000 1.129 94 F CA -2.973 54.979 58.000 -0.080 0.000 1.200 94 F CB 1.082 40.039 39.000 -0.073 0.000 1.431 94 F HN 0.039 nan 8.300 nan 0.000 0.503 95 P HA -0.105 nan 4.420 nan 0.000 0.221 95 P C 1.840 179.168 177.300 0.047 0.000 1.150 95 P CA 1.101 64.210 63.100 0.015 0.000 0.800 95 P CB 0.349 32.048 31.700 -0.001 0.000 0.787 96 R N -0.458 120.083 120.500 0.069 0.000 2.066 96 R HA 0.092 4.432 4.340 -0.000 0.000 0.224 96 R C 2.261 178.606 176.300 0.074 0.000 1.122 96 R CA 0.872 57.009 56.100 0.062 0.000 0.974 96 R CB -0.737 29.584 30.300 0.035 0.000 0.871 96 R HN 0.041 nan 8.270 nan 0.000 0.435 97 M N 1.231 120.879 119.600 0.080 0.000 2.202 97 M HA -0.198 4.282 4.480 -0.000 0.000 0.262 97 M C 1.666 178.022 176.300 0.094 0.000 1.063 97 M CA 1.762 57.104 55.300 0.069 0.000 1.097 97 M CB -0.225 32.401 32.600 0.044 0.000 1.382 97 M HN 0.143 nan 8.290 nan 0.000 0.413 98 N N 1.027 119.783 118.700 0.093 0.000 2.094 98 N HA -0.233 4.507 4.740 -0.000 0.000 0.191 98 N C 1.332 176.927 175.510 0.143 0.000 1.023 98 N CA 1.869 54.970 53.050 0.085 0.000 0.857 98 N CB -0.508 37.992 38.487 0.021 0.000 1.013 98 N HN 0.434 nan 8.380 nan 0.000 0.426 99 N N -0.116 118.666 118.700 0.137 0.000 2.309 99 N HA -0.078 4.662 4.740 -0.000 0.000 0.182 99 N C 1.676 177.342 175.510 0.261 0.000 1.018 99 N CA 0.766 53.937 53.050 0.202 0.000 0.876 99 N CB -0.183 38.447 38.487 0.238 0.000 0.972 99 N HN 0.397 nan 8.380 nan 0.000 0.434 100 M N -0.893 118.819 119.600 0.188 0.000 2.288 100 M HA -0.000 4.480 4.480 -0.000 0.000 0.266 100 M C 1.740 178.106 176.300 0.110 0.000 1.072 100 M CA 0.875 56.275 55.300 0.167 0.000 1.132 100 M CB 0.041 32.700 32.600 0.099 0.000 1.386 100 M HN 0.001 nan 8.290 nan 0.000 0.432 101 S N 0.550 116.323 115.700 0.121 0.000 2.370 101 S HA -0.171 4.299 4.470 -0.000 0.000 0.226 101 S C 1.479 176.091 174.600 0.020 0.000 1.033 101 S CA 1.541 59.820 58.200 0.131 0.000 1.011 101 S CB -0.568 62.771 63.200 0.232 0.000 0.852 101 S HN 0.612 nan 8.310 nan 0.000 0.457 102 F N 0.715 120.545 119.950 -0.200 0.000 2.046 102 F HA -0.127 4.400 4.527 -0.000 0.000 0.297 102 F C 1.740 177.148 175.800 -0.654 0.000 1.123 102 F CA 1.364 58.882 58.000 -0.802 0.000 1.199 102 F CB -0.601 37.751 39.000 -1.079 0.000 0.972 102 F HN 0.252 nan 8.300 nan 0.000 0.474 103 W N 0.219 121.296 121.300 -0.372 0.000 2.800 103 W HA 0.052 4.712 4.660 -0.000 0.000 0.249 103 W C 2.038 178.361 176.519 -0.327 0.000 1.294 103 W CA 0.228 57.351 57.345 -0.370 0.000 1.402 103 W CB -0.240 29.189 29.460 -0.052 0.000 1.126 103 W HN 0.013 nan 8.180 nan 0.000 0.652 104 L N -0.121 121.042 121.223 -0.098 0.000 2.275 104 L HA -0.210 4.130 4.340 -0.000 0.000 0.215 104 L C 2.076 178.857 176.870 -0.148 0.000 1.119 104 L CA 0.866 55.667 54.840 -0.065 0.000 0.790 104 L CB -0.494 41.556 42.059 -0.015 0.000 0.919 104 L HN 0.091 nan 8.230 nan 0.000 0.443 105 L N -0.503 120.461 121.223 -0.431 0.000 2.044 105 L HA -0.101 4.239 4.340 -0.000 0.000 0.205 105 L C -0.159 176.565 176.870 -0.244 0.000 1.075 105 L CA 1.101 55.667 54.840 -0.456 0.000 0.747 105 L CB -1.741 39.683 42.059 -1.058 0.000 0.903 105 L HN 0.196 nan 8.230 nan 0.000 0.435 106 P HA -0.113 nan 4.420 nan 0.000 0.215 106 P C -1.409 175.947 177.300 0.095 0.000 1.153 106 P CA 1.489 64.665 63.100 0.126 0.000 0.853 106 P CB -1.055 30.724 31.700 0.133 0.000 0.788 107 P HA -0.117 nan 4.420 nan 0.000 0.218 107 P C 1.886 179.238 177.300 0.088 0.000 1.149 107 P CA 1.605 64.742 63.100 0.062 0.000 0.817 107 P CB -0.448 31.279 31.700 0.045 0.000 0.785 108 S N -1.603 114.156 115.700 0.098 0.000 2.356 108 S HA -0.141 4.329 4.470 -0.000 0.000 0.223 108 S C 1.793 176.509 174.600 0.194 0.000 1.032 108 S CA 0.883 59.190 58.200 0.179 0.000 1.005 108 S CB -1.044 62.325 63.200 0.280 0.000 0.867 108 S HN 0.053 nan 8.310 nan 0.000 0.449 109 F N 0.727 120.519 119.950 -0.262 0.000 2.186 109 F HA -0.053 4.474 4.527 -0.000 0.000 0.299 109 F C 2.025 177.770 175.800 -0.092 0.000 1.090 109 F CA 0.648 58.362 58.000 -0.478 0.000 1.307 109 F CB -0.055 38.609 39.000 -0.560 0.000 1.019 109 F HN 0.286 nan 8.300 nan 0.000 0.489 110 L N 0.800 122.111 121.223 0.146 0.000 2.046 110 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 110 L C 1.966 178.905 176.870 0.115 0.000 1.077 110 L CA 1.707 56.589 54.840 0.071 0.000 0.747 110 L CB -0.807 41.276 42.059 0.040 0.000 0.896 110 L HN 0.130 nan 8.230 nan 0.000 0.432 111 L N -1.377 119.928 121.223 0.138 0.000 2.079 111 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 111 L C 2.478 179.447 176.870 0.164 0.000 1.081 111 L CA 1.131 56.057 54.840 0.144 0.000 0.752 111 L CB -0.674 41.477 42.059 0.153 0.000 0.896 111 L HN 0.342 nan 8.230 nan 0.000 0.433 112 L N -0.421 120.940 121.223 0.230 0.000 2.056 112 L HA -0.191 4.149 4.340 -0.000 0.000 0.207 112 L C 2.329 179.351 176.870 0.254 0.000 1.078 112 L CA 1.601 56.601 54.840 0.266 0.000 0.749 112 L CB -0.246 42.094 42.059 0.469 0.000 0.901 112 L HN 0.103 nan 8.230 nan 0.000 0.433 113 L N -0.911 120.456 121.223 0.241 0.000 2.046 113 L HA -0.187 4.153 4.340 -0.000 0.000 0.208 113 L C 2.705 179.648 176.870 0.121 0.000 1.077 113 L CA 1.138 56.073 54.840 0.159 0.000 0.747 113 L CB -0.994 41.106 42.059 0.067 0.000 0.896 113 L HN 0.365 nan 8.230 nan 0.000 0.432 114 A N -0.408 122.477 122.820 0.108 0.000 1.908 114 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 114 A C 2.556 180.201 177.584 0.102 0.000 1.181 114 A CA 2.215 54.307 52.037 0.093 0.000 0.627 114 A CB -0.822 18.231 19.000 0.088 0.000 0.818 114 A HN 0.430 nan 8.150 nan 0.000 0.445 115 S N 0.177 115.947 115.700 0.117 0.000 2.400 115 S HA -0.171 4.299 4.470 -0.000 0.000 0.232 115 S C 2.149 176.819 174.600 0.116 0.000 1.025 115 S CA 2.219 60.486 58.200 0.111 0.000 0.993 115 S CB -0.534 62.729 63.200 0.105 0.000 0.808 115 S HN 0.947 nan 8.310 nan 0.000 0.478 116 S N -0.217 115.559 115.700 0.127 0.000 2.501 116 S HA 0.174 4.644 4.470 -0.000 0.000 0.220 116 S C 1.791 176.451 174.600 0.100 0.000 0.997 116 S CA 0.229 58.503 58.200 0.124 0.000 0.919 116 S CB -0.199 63.085 63.200 0.141 0.000 0.778 116 S HN 0.416 nan 8.310 nan 0.000 0.523 117 M N 2.045 121.699 119.600 0.089 0.000 2.394 117 M HA 0.289 4.769 4.480 -0.000 0.000 0.266 117 M C 0.930 177.270 176.300 0.066 0.000 1.098 117 M CA 0.419 55.762 55.300 0.071 0.000 1.149 117 M CB -0.425 32.213 32.600 0.062 0.000 1.369 117 M HN 0.406 nan 8.290 nan 0.000 0.450 118 V N -0.869 119.088 119.914 0.072 0.000 2.644 118 V HA 0.429 4.549 4.120 -0.000 0.000 0.295 118 V C 0.673 176.809 176.094 0.070 0.000 1.053 118 V CA -0.941 61.399 62.300 0.066 0.000 0.987 118 V CB 1.379 33.243 31.823 0.067 0.000 1.006 118 V HN 0.552 nan 8.190 nan 0.000 0.472 119 E N 2.629 122.865 120.200 0.060 0.000 3.259 119 E HA -0.318 4.032 4.350 -0.000 0.000 0.332 119 E C 0.738 177.375 176.600 0.061 0.000 1.477 119 E CA 1.821 58.256 56.400 0.058 0.000 1.742 119 E CB -1.654 28.086 29.700 0.067 0.000 1.842 119 E HN 1.634 nan 8.360 nan 0.000 0.499 120 A N 1.431 124.293 122.820 0.070 0.000 2.631 120 A HA 0.541 4.861 4.320 -0.000 0.000 0.294 120 A C 0.772 178.424 177.584 0.114 0.000 1.156 120 A CA 1.442 53.524 52.037 0.074 0.000 0.963 120 A CB 0.048 19.076 19.000 0.046 0.000 1.202 120 A HN 1.460 nan 8.150 nan 0.000 0.523 121 G N -0.830 108.046 108.800 0.127 0.000 2.855 121 G HA2 0.307 4.267 3.960 -0.000 0.000 0.352 121 G HA3 0.307 4.267 3.960 -0.000 0.000 0.352 121 G C 0.130 175.149 174.900 0.199 0.000 1.415 121 G CA -0.311 44.877 45.100 0.147 0.000 0.871 121 G HN 1.817 nan 8.290 nan 0.000 0.543 122 A N 0.355 123.264 122.820 0.148 0.000 2.444 122 A HA 0.721 5.041 4.320 -0.000 0.000 0.332 122 A C 0.919 178.530 177.584 0.044 0.000 1.430 122 A CA 0.811 52.874 52.037 0.043 0.000 0.975 122 A CB 0.277 19.282 19.000 0.008 0.000 1.147 122 A HN 2.299 nan 8.150 nan 0.000 0.524 123 G N 1.678 110.584 108.800 0.176 0.000 3.506 123 G HA2 0.365 4.325 3.960 -0.000 0.000 0.268 123 G HA3 0.365 4.325 3.960 -0.000 0.000 0.268 123 G C 0.711 175.641 174.900 0.049 0.000 0.959 123 G CA 0.523 45.725 45.100 0.169 0.000 1.823 123 G HN 0.798 nan 8.290 nan 0.000 0.615 124 T N -2.436 112.061 114.554 -0.094 0.000 3.003 124 T HA 0.485 4.835 4.350 -0.000 0.000 0.261 124 T C 1.228 175.843 174.700 -0.142 0.000 1.003 124 T CA 0.524 62.523 62.100 -0.168 0.000 0.917 124 T CB 0.547 69.252 68.868 -0.272 0.000 1.084 124 T HN 1.560 nan 8.240 nan 0.000 0.522 125 G N 1.867 110.609 108.800 -0.096 0.000 2.785 125 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.685 125 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.685 125 G C 0.361 175.121 174.900 -0.235 0.000 1.480 125 G CA -0.190 44.830 45.100 -0.132 0.000 0.915 125 G HN 0.680 nan 8.290 nan 0.000 0.576 126 W N 0.356 121.345 121.300 -0.519 0.000 2.825 126 W HA 0.006 4.666 4.660 -0.000 0.000 0.243 126 W C 1.559 177.774 176.519 -0.507 0.000 1.293 126 W CA 1.763 58.599 57.345 -0.848 0.000 1.403 126 W CB -1.497 27.380 29.460 -0.971 0.000 1.134 126 W HN 0.978 nan 8.180 nan 0.000 0.666 127 T N -0.913 112.925 114.554 -1.194 0.000 3.055 127 T HA 0.025 4.375 4.350 -0.000 0.000 0.265 127 T C 1.215 175.363 174.700 -0.921 0.000 1.111 127 T CA 0.896 61.942 62.100 -1.757 0.000 1.118 127 T CB -0.789 67.052 68.868 -1.712 0.000 0.909 127 T HN 0.163 nan 8.240 nan 0.000 0.501 128 V N 0.367 119.988 119.914 -0.490 0.000 5.117 128 V HA -0.226 3.894 4.120 -0.000 0.000 0.285 128 V C 0.184 176.043 176.094 -0.391 0.000 0.490 128 V CA 0.307 62.438 62.300 -0.282 0.000 0.728 128 V CB -3.043 28.721 31.823 -0.099 0.000 0.597 128 V HN 0.714 nan 8.190 nan 0.000 1.265 129 Y N 1.804 121.814 120.300 -0.484 0.000 2.511 129 Y HA 0.287 4.837 4.550 -0.000 0.000 0.332 129 Y C -0.956 174.650 175.900 -0.490 0.000 1.177 129 Y CA -1.885 55.889 58.100 -0.543 0.000 1.422 129 Y CB 1.044 39.352 38.460 -0.253 0.000 1.271 129 Y HN 0.246 nan 8.280 nan 0.000 0.550 130 P HA 0.151 nan 4.420 nan 0.000 0.279 130 P C -2.439 174.811 177.300 -0.082 0.000 1.252 130 P CA -1.903 61.068 63.100 -0.216 0.000 0.811 130 P CB 1.130 32.708 31.700 -0.203 0.000 1.035 131 P HA 0.061 nan 4.420 nan 0.000 0.240 131 P C 1.472 178.797 177.300 0.042 0.000 1.190 131 P CA 0.071 63.188 63.100 0.028 0.000 0.781 131 P CB -0.058 31.672 31.700 0.051 0.000 0.931 132 L N 0.429 121.682 121.223 0.051 0.000 2.079 132 L HA -0.083 4.257 4.340 -0.000 0.000 0.210 132 L C 1.895 178.846 176.870 0.134 0.000 1.081 132 L CA 1.949 56.857 54.840 0.113 0.000 0.752 132 L CB -1.252 40.870 42.059 0.106 0.000 0.896 132 L HN -0.068 nan 8.230 nan 0.000 0.433 133 A N -1.027 121.773 122.820 -0.032 0.000 2.251 133 A HA 0.452 4.772 4.320 -0.000 0.000 0.209 133 A C 1.326 178.897 177.584 -0.023 0.000 1.187 133 A CA 0.309 52.279 52.037 -0.110 0.000 0.823 133 A CB -1.164 17.696 19.000 -0.233 0.000 0.846 133 A HN 0.461 nan 8.150 nan 0.000 0.486 134 G N 0.076 108.892 108.800 0.027 0.000 2.588 134 G HA2 0.281 4.241 3.960 -0.000 0.000 0.278 134 G HA3 0.281 4.241 3.960 -0.000 0.000 0.278 134 G C 0.532 175.476 174.900 0.074 0.000 1.307 134 G CA 0.118 45.246 45.100 0.048 0.000 1.016 134 G HN 0.441 nan 8.290 nan 0.000 0.503 135 N N -0.919 117.818 118.700 0.061 0.000 2.449 135 N HA 0.007 4.747 4.740 -0.000 0.000 0.191 135 N C 1.309 176.848 175.510 0.049 0.000 1.161 135 N CA 0.180 53.264 53.050 0.058 0.000 0.863 135 N CB 0.329 38.843 38.487 0.046 0.000 0.980 135 N HN 0.283 nan 8.380 nan 0.000 0.458 136 L N -0.642 120.609 121.223 0.047 0.000 2.362 136 L HA 0.506 4.846 4.340 -0.000 0.000 0.204 136 L C 1.951 178.833 176.870 0.021 0.000 1.060 136 L CA 0.885 55.743 54.840 0.031 0.000 0.827 136 L CB -0.640 41.438 42.059 0.031 0.000 1.027 136 L HN 0.126 nan 8.230 nan 0.000 0.474 137 A N -1.988 120.855 122.820 0.039 0.000 2.132 137 A HA 0.061 4.381 4.320 -0.000 0.000 0.213 137 A C 0.220 177.764 177.584 -0.067 0.000 1.154 137 A CA 0.532 52.576 52.037 0.013 0.000 0.753 137 A CB -0.608 18.437 19.000 0.074 0.000 0.826 137 A HN 0.592 nan 8.150 nan 0.000 0.469 138 H N -0.655 118.424 119.070 0.014 0.000 2.511 138 H HA 0.559 5.115 4.556 -0.000 0.000 0.228 138 H C 0.113 175.451 175.328 0.017 0.000 1.424 138 H CA -0.027 56.031 56.048 0.016 0.000 1.321 138 H CB 0.530 30.298 29.762 0.010 0.000 1.720 138 H HN 0.415 nan 8.280 nan 0.000 0.512 139 A N 1.066 123.914 122.820 0.047 0.000 2.386 139 A HA 0.662 4.982 4.320 -0.000 0.000 0.248 139 A C 0.978 178.598 177.584 0.059 0.000 1.082 139 A CA 0.571 52.638 52.037 0.050 0.000 0.789 139 A CB -0.026 18.987 19.000 0.023 0.000 1.025 139 A HN 0.845 nan 8.150 nan 0.000 0.490 140 G N -1.088 107.747 108.800 0.059 0.000 2.592 140 G HA2 0.360 4.320 3.960 -0.000 0.000 0.684 140 G HA3 0.360 4.320 3.960 -0.000 0.000 0.684 140 G C 0.644 175.587 174.900 0.071 0.000 1.291 140 G CA 0.118 45.254 45.100 0.061 0.000 0.891 140 G HN 1.965 nan 8.290 nan 0.000 0.544 141 A N -0.431 122.433 122.820 0.073 0.000 2.119 141 A HA 0.353 4.673 4.320 -0.000 0.000 0.216 141 A C 2.626 180.256 177.584 0.077 0.000 1.152 141 A CA 2.431 54.516 52.037 0.080 0.000 0.708 141 A CB -0.521 18.532 19.000 0.089 0.000 0.805 141 A HN 1.471 nan 8.150 nan 0.000 0.460 142 S N -0.288 115.464 115.700 0.087 0.000 2.353 142 S HA -0.160 4.310 4.470 -0.000 0.000 0.222 142 S C 1.887 176.514 174.600 0.046 0.000 1.035 142 S CA 1.648 59.901 58.200 0.088 0.000 1.025 142 S CB -0.443 62.833 63.200 0.125 0.000 0.902 142 S HN 0.365 nan 8.310 nan 0.000 0.440 143 V N 2.498 122.426 119.914 0.025 0.000 2.427 143 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 143 V C 2.013 178.045 176.094 -0.104 0.000 1.051 143 V CA 1.651 63.919 62.300 -0.052 0.000 1.048 143 V CB -0.672 31.108 31.823 -0.072 0.000 0.666 143 V HN 0.419 nan 8.190 nan 0.000 0.456 144 D N 0.027 120.370 120.400 -0.095 0.000 2.144 144 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 144 D C 2.121 178.310 176.300 -0.185 0.000 0.984 144 D CA 1.234 55.098 54.000 -0.226 0.000 0.834 144 D CB -0.080 40.655 40.800 -0.107 0.000 0.955 144 D HN 0.355 nan 8.370 nan 0.000 0.465 145 L N 0.566 121.804 121.223 0.026 0.000 2.109 145 L HA -0.114 4.226 4.340 -0.000 0.000 0.207 145 L C 2.566 179.457 176.870 0.035 0.000 1.086 145 L CA 0.947 55.872 54.840 0.142 0.000 0.760 145 L CB -0.415 41.723 42.059 0.132 0.000 0.910 145 L HN -0.016 nan 8.230 nan 0.000 0.437 146 T N 0.156 114.678 114.554 -0.053 0.000 2.708 146 T HA -0.162 4.188 4.350 -0.000 0.000 0.266 146 T C 1.906 176.431 174.700 -0.292 0.000 1.037 146 T CA 1.395 63.392 62.100 -0.172 0.000 1.146 146 T CB -0.194 68.586 68.868 -0.147 0.000 0.865 146 T HN 0.173 nan 8.240 nan 0.000 0.435 147 I N 0.302 120.682 120.570 -0.315 0.000 2.163 147 I HA -0.183 3.987 4.170 -0.000 0.000 0.243 147 I C 2.056 177.925 176.117 -0.413 0.000 1.085 147 I CA 1.416 62.447 61.300 -0.448 0.000 1.347 147 I CB -0.410 37.275 38.000 -0.525 0.000 1.044 147 I HN 0.158 nan 8.210 nan 0.000 0.408 148 F N 0.453 120.337 119.950 -0.110 0.000 2.171 148 F HA -0.234 4.293 4.527 -0.000 0.000 0.300 148 F C 2.949 178.729 175.800 -0.033 0.000 1.090 148 F CA 1.550 59.559 58.000 0.015 0.000 1.293 148 F CB -1.218 37.815 39.000 0.056 0.000 1.013 148 F HN 0.043 nan 8.300 nan 0.000 0.486 149 S N 0.098 115.848 115.700 0.083 0.000 2.368 149 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 149 S C 2.162 176.697 174.600 -0.109 0.000 1.030 149 S CA 1.117 59.338 58.200 0.034 0.000 0.999 149 S CB -0.394 62.796 63.200 -0.017 0.000 0.844 149 S HN 0.343 nan 8.310 nan 0.000 0.459 150 L N 0.131 121.161 121.223 -0.322 0.000 2.093 150 L HA -0.062 4.278 4.340 -0.000 0.000 0.208 150 L C 2.449 179.156 176.870 -0.273 0.000 1.085 150 L CA 1.604 56.151 54.840 -0.487 0.000 0.755 150 L CB -0.728 40.962 42.059 -0.615 0.000 0.904 150 L HN 0.452 nan 8.230 nan 0.000 0.435 151 H N -0.393 118.613 119.070 -0.107 0.000 2.319 151 H HA -0.168 4.388 4.556 -0.000 0.000 0.299 151 H C 2.347 177.668 175.328 -0.011 0.000 1.092 151 H CA 1.255 57.285 56.048 -0.030 0.000 1.302 151 H CB 0.141 29.957 29.762 0.090 0.000 1.373 151 H HN 0.201 nan 8.280 nan 0.000 0.497 152 L N -0.183 121.130 121.223 0.150 0.000 2.109 152 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 152 L C 2.812 179.729 176.870 0.079 0.000 1.086 152 L CA 0.749 55.649 54.840 0.101 0.000 0.760 152 L CB -0.548 41.570 42.059 0.098 0.000 0.910 152 L HN 0.350 nan 8.230 nan 0.000 0.437 153 A N 0.531 123.386 122.820 0.057 0.000 1.902 153 A HA -0.132 4.188 4.320 -0.000 0.000 0.217 153 A C 2.392 180.025 177.584 0.082 0.000 1.181 153 A CA 1.751 53.838 52.037 0.084 0.000 0.623 153 A CB -1.173 17.815 19.000 -0.019 0.000 0.818 153 A HN 0.432 nan 8.150 nan 0.000 0.443 154 G N -0.573 108.238 108.800 0.018 0.000 2.446 154 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.217 154 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.217 154 G C 1.529 176.470 174.900 0.069 0.000 1.168 154 G CA 1.311 46.433 45.100 0.036 0.000 0.771 154 G HN 0.323 nan 8.290 nan 0.000 0.551 155 V N 0.812 120.766 119.914 0.066 0.000 2.307 155 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 155 V C 3.035 179.175 176.094 0.075 0.000 1.045 155 V CA 2.205 64.541 62.300 0.059 0.000 1.024 155 V CB -0.476 31.372 31.823 0.042 0.000 0.651 155 V HN 0.518 nan 8.190 nan 0.000 0.449 156 S N -0.200 115.551 115.700 0.085 0.000 2.368 156 S HA -0.289 4.181 4.470 -0.000 0.000 0.226 156 S C 2.194 176.881 174.600 0.145 0.000 1.044 156 S CA 2.591 60.856 58.200 0.109 0.000 1.062 156 S CB -0.388 62.875 63.200 0.104 0.000 0.931 156 S HN 0.590 nan 8.310 nan 0.000 0.440 157 S N 0.677 116.468 115.700 0.153 0.000 2.387 157 S HA 0.145 4.615 4.470 -0.000 0.000 0.226 157 S C 1.749 176.440 174.600 0.153 0.000 1.026 157 S CA 1.068 59.371 58.200 0.171 0.000 0.972 157 S CB -0.388 62.922 63.200 0.183 0.000 0.814 157 S HN 0.548 nan 8.310 nan 0.000 0.477 158 I N 1.611 122.255 120.570 0.124 0.000 2.142 158 I HA -0.206 3.964 4.170 -0.000 0.000 0.240 158 I C 1.980 178.160 176.117 0.104 0.000 1.078 158 I CA 1.239 62.603 61.300 0.108 0.000 1.343 158 I CB -0.433 37.615 38.000 0.081 0.000 1.046 158 I HN 0.235 nan 8.210 nan 0.000 0.405 159 L N 0.329 121.606 121.223 0.090 0.000 2.131 159 L HA -0.111 4.229 4.340 -0.000 0.000 0.210 159 L C 2.634 179.571 176.870 0.110 0.000 1.092 159 L CA 1.391 56.280 54.840 0.081 0.000 0.759 159 L CB -1.171 40.923 42.059 0.059 0.000 0.903 159 L HN 0.349 nan 8.230 nan 0.000 0.435 160 G N -0.339 108.546 108.800 0.141 0.000 2.403 160 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 160 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 160 G C 1.814 176.846 174.900 0.220 0.000 1.154 160 G CA 0.693 45.885 45.100 0.153 0.000 0.784 160 G HN 0.432 nan 8.290 nan 0.000 0.538 161 A N 0.932 123.885 122.820 0.222 0.000 1.902 161 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 161 A C 2.362 180.054 177.584 0.180 0.000 1.181 161 A CA 1.269 53.440 52.037 0.225 0.000 0.623 161 A CB -0.368 18.735 19.000 0.171 0.000 0.818 161 A HN 0.372 nan 8.150 nan 0.000 0.443 162 I N -0.214 120.445 120.570 0.148 0.000 2.286 162 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 162 I C 2.416 178.648 176.117 0.192 0.000 1.115 162 I CA 1.110 62.504 61.300 0.157 0.000 1.392 162 I CB -0.382 37.700 38.000 0.137 0.000 1.065 162 I HN 0.338 nan 8.210 nan 0.000 0.418 163 N N 1.081 119.871 118.700 0.150 0.000 2.084 163 N HA -0.174 4.566 4.740 -0.000 0.000 0.190 163 N C 1.879 177.259 175.510 -0.217 0.000 1.030 163 N CA 1.721 54.764 53.050 -0.012 0.000 0.849 163 N CB -0.278 38.139 38.487 -0.116 0.000 1.012 163 N HN 0.221 nan 8.380 nan 0.000 0.423 164 F N 1.034 120.971 119.950 -0.021 0.000 2.102 164 F HA -0.044 4.483 4.527 -0.000 0.000 0.298 164 F C 2.338 178.082 175.800 -0.093 0.000 1.105 164 F CA 0.759 58.712 58.000 -0.078 0.000 1.239 164 F CB -0.233 38.723 39.000 -0.073 0.000 0.991 164 F HN 0.010 nan 8.300 nan 0.000 0.474 165 I N -0.618 120.028 120.570 0.126 0.000 2.179 165 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 165 I C 2.271 178.372 176.117 -0.027 0.000 1.088 165 I CA 1.625 62.950 61.300 0.042 0.000 1.357 165 I CB -0.890 37.145 38.000 0.059 0.000 1.051 165 I HN 0.118 nan 8.210 nan 0.000 0.409 166 T N -0.136 114.395 114.554 -0.038 0.000 2.746 166 T HA -0.156 4.194 4.350 -0.000 0.000 0.267 166 T C 1.937 176.513 174.700 -0.206 0.000 1.039 166 T CA 1.996 64.026 62.100 -0.116 0.000 1.142 166 T CB -0.370 68.403 68.868 -0.159 0.000 0.866 166 T HN 0.357 nan 8.240 nan 0.000 0.444 167 T N 2.117 116.522 114.554 -0.248 0.000 2.708 167 T HA 0.033 4.383 4.350 -0.000 0.000 0.266 167 T C 1.982 176.571 174.700 -0.186 0.000 1.037 167 T CA 0.951 62.893 62.100 -0.262 0.000 1.146 167 T CB -0.393 68.314 68.868 -0.268 0.000 0.865 167 T HN 0.323 nan 8.240 nan 0.000 0.435 168 I N 0.537 121.026 120.570 -0.135 0.000 2.315 168 I HA -0.111 4.059 4.170 -0.000 0.000 0.248 168 I C 1.966 177.968 176.117 -0.192 0.000 1.117 168 I CA 0.795 62.000 61.300 -0.158 0.000 1.404 168 I CB -0.240 37.670 38.000 -0.150 0.000 1.071 168 I HN 0.187 nan 8.210 nan 0.000 0.419 169 I N 0.506 120.977 120.570 -0.165 0.000 2.500 169 I HA -0.169 4.001 4.170 -0.000 0.000 0.252 169 I C 1.997 178.029 176.117 -0.142 0.000 1.142 169 I CA 1.463 62.668 61.300 -0.159 0.000 1.451 169 I CB -1.268 36.666 38.000 -0.111 0.000 1.093 169 I HN 0.272 nan 8.210 nan 0.000 0.430 170 N N -0.083 118.531 118.700 -0.143 0.000 2.294 170 N HA 0.112 4.852 4.740 -0.000 0.000 0.186 170 N C 0.995 176.421 175.510 -0.140 0.000 1.107 170 N CA 0.381 53.353 53.050 -0.130 0.000 0.884 170 N CB 0.298 38.703 38.487 -0.136 0.000 1.030 170 N HN 0.128 nan 8.380 nan 0.000 0.482 171 M N 0.146 119.649 119.600 -0.163 0.000 2.778 171 M HA 0.244 4.724 4.480 -0.000 0.000 0.359 171 M C -0.374 175.828 176.300 -0.164 0.000 1.216 171 M CA -0.208 54.994 55.300 -0.164 0.000 0.935 171 M CB 0.722 33.207 32.600 -0.191 0.000 1.330 171 M HN -0.160 nan 8.290 nan 0.000 0.516 172 K N 0.973 121.282 120.400 -0.151 0.000 2.127 172 K HA 0.495 4.815 4.320 -0.000 0.000 0.240 172 K C -2.419 174.104 176.600 -0.128 0.000 1.024 172 K CA -1.687 54.511 56.287 -0.148 0.000 0.918 172 K CB 0.096 32.513 32.500 -0.138 0.000 1.108 172 K HN -0.130 nan 8.250 nan 0.000 0.485 173 P HA -0.008 nan 4.420 nan 0.000 0.269 173 P C -2.041 175.204 177.300 -0.091 0.000 1.209 173 P CA -0.934 62.105 63.100 -0.101 0.000 0.776 173 P CB 0.139 31.785 31.700 -0.091 0.000 0.876 174 P HA -0.147 nan 4.420 nan 0.000 0.220 174 P C 0.926 178.182 177.300 -0.072 0.000 1.148 174 P CA 1.358 64.412 63.100 -0.077 0.000 0.803 174 P CB -0.242 31.414 31.700 -0.073 0.000 0.782 175 A N -0.499 122.271 122.820 -0.083 0.000 2.119 175 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 175 A C 1.481 179.037 177.584 -0.047 0.000 1.153 175 A CA 0.186 52.182 52.037 -0.068 0.000 0.692 175 A CB -0.946 17.999 19.000 -0.091 0.000 0.799 175 A HN 0.214 nan 8.150 nan 0.000 0.458 176 M N 2.055 121.623 119.600 -0.053 0.000 2.143 176 M HA 0.280 4.760 4.480 -0.000 0.000 0.348 176 M C 0.422 176.696 176.300 -0.043 0.000 1.375 176 M CA -0.192 55.086 55.300 -0.038 0.000 1.124 176 M CB 0.523 33.094 32.600 -0.048 0.000 1.669 176 M HN 0.408 nan 8.290 nan 0.000 0.469 177 S N 3.469 119.163 115.700 -0.010 0.000 2.655 177 S HA 0.145 4.615 4.470 -0.000 0.000 0.265 177 S C 0.670 175.215 174.600 -0.093 0.000 1.240 177 S CA -0.408 57.771 58.200 -0.035 0.000 0.986 177 S CB 1.332 64.565 63.200 0.056 0.000 0.985 177 S HN 0.841 nan 8.310 nan 0.000 0.562 178 Q N -0.432 119.216 119.800 -0.254 0.000 2.291 178 Q HA 0.014 4.354 4.340 -0.000 0.000 0.206 178 Q C 0.429 176.409 176.000 -0.034 0.000 0.976 178 Q CA 1.617 57.200 55.803 -0.368 0.000 0.875 178 Q CB -0.503 27.881 28.738 -0.590 0.000 0.927 178 Q HN 0.838 nan 8.270 nan 0.000 0.450 179 Y N -0.918 119.620 120.300 0.398 0.000 2.470 179 Y HA 0.202 4.752 4.550 -0.000 0.000 0.284 179 Y C 0.620 176.695 175.900 0.293 0.000 1.188 179 Y CA 0.124 58.560 58.100 0.560 0.000 1.269 179 Y CB 0.233 38.923 38.460 0.383 0.000 1.094 179 Y HN 0.108 nan 8.280 nan 0.000 0.518 180 Q N -0.220 119.744 119.800 0.274 0.000 2.155 180 Q HA 0.134 4.474 4.340 -0.000 0.000 0.220 180 Q C 0.298 176.388 176.000 0.149 0.000 0.819 180 Q CA -0.190 55.677 55.803 0.107 0.000 1.032 180 Q CB 0.784 29.554 28.738 0.052 0.000 1.151 180 Q HN 0.269 nan 8.270 nan 0.000 0.487 181 T N -2.497 112.226 114.554 0.281 0.000 2.929 181 T HA 0.584 4.934 4.350 -0.000 0.000 0.284 181 T C -2.629 172.355 174.700 0.472 0.000 1.014 181 T CA -2.438 59.787 62.100 0.208 0.000 1.051 181 T CB 1.643 70.481 68.868 -0.050 0.000 1.028 181 T HN -0.245 nan 8.240 nan 0.000 0.485 182 P HA 0.206 nan 4.420 nan 0.000 0.269 182 P C 1.062 178.788 177.300 0.710 0.000 1.215 182 P CA -0.493 62.946 63.100 0.565 0.000 0.780 182 P CB 0.455 32.523 31.700 0.612 0.000 0.898 183 L N 0.962 122.610 121.223 0.709 0.000 2.079 183 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 183 L C 2.111 179.362 176.870 0.634 0.000 1.081 183 L CA 1.494 56.694 54.840 0.599 0.000 0.752 183 L CB -0.596 41.727 42.059 0.439 0.000 0.896 183 L HN 0.400 nan 8.230 nan 0.000 0.433 184 F N -0.038 120.289 119.950 0.629 0.000 2.234 184 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 184 F C 2.132 178.016 175.800 0.140 0.000 1.087 184 F CA 1.161 59.280 58.000 0.199 0.000 1.340 184 F CB -0.172 38.670 39.000 -0.262 0.000 1.031 184 F HN -0.247 nan 8.300 nan 0.000 0.500 185 V N -1.116 118.862 119.914 0.106 0.000 2.427 185 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 185 V C 2.041 178.078 176.094 -0.095 0.000 1.051 185 V CA 1.890 64.130 62.300 -0.101 0.000 1.048 185 V CB -0.972 30.846 31.823 -0.009 0.000 0.666 185 V HN 0.471 nan 8.190 nan 0.000 0.456 186 W N 0.858 122.155 121.300 -0.006 0.000 2.381 186 W HA -0.210 4.450 4.660 -0.000 0.000 0.301 186 W C 3.012 179.487 176.519 -0.074 0.000 1.205 186 W CA 1.814 59.147 57.345 -0.020 0.000 1.285 186 W CB -0.466 29.008 29.460 0.023 0.000 1.133 186 W HN 0.359 nan 8.180 nan 0.000 0.521 187 S N -0.279 115.531 115.700 0.183 0.000 2.383 187 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 187 S C 1.709 176.229 174.600 -0.134 0.000 1.030 187 S CA 1.688 59.921 58.200 0.056 0.000 1.002 187 S CB -1.084 62.174 63.200 0.097 0.000 0.829 187 S HN 0.075 nan 8.310 nan 0.000 0.467 188 V N 1.747 121.435 119.914 -0.377 0.000 2.379 188 V HA -0.076 4.044 4.120 -0.000 0.000 0.245 188 V C 2.609 178.537 176.094 -0.276 0.000 1.044 188 V CA 2.034 64.033 62.300 -0.502 0.000 1.036 188 V CB -0.731 30.571 31.823 -0.867 0.000 0.664 188 V HN 0.563 nan 8.190 nan 0.000 0.453 189 M N -0.337 119.164 119.600 -0.165 0.000 2.080 189 M HA -0.204 4.276 4.480 -0.000 0.000 0.260 189 M C 2.042 178.361 176.300 0.032 0.000 1.068 189 M CA 2.179 57.445 55.300 -0.057 0.000 1.109 189 M CB -0.254 32.283 32.600 -0.106 0.000 1.342 189 M HN 0.247 nan 8.290 nan 0.000 0.405 190 I N -0.812 119.815 120.570 0.095 0.000 2.315 190 I HA -0.254 3.916 4.170 -0.000 0.000 0.248 190 I C 2.084 178.256 176.117 0.091 0.000 1.117 190 I CA 1.324 62.705 61.300 0.135 0.000 1.404 190 I CB -0.669 37.441 38.000 0.183 0.000 1.071 190 I HN 0.329 nan 8.210 nan 0.000 0.419 191 T N 0.780 115.348 114.554 0.023 0.000 2.788 191 T HA -0.150 4.200 4.350 -0.000 0.000 0.268 191 T C 2.027 176.747 174.700 0.032 0.000 1.044 191 T CA 1.502 63.603 62.100 0.002 0.000 1.139 191 T CB -0.223 68.594 68.868 -0.086 0.000 0.867 191 T HN 0.485 nan 8.240 nan 0.000 0.454 192 A N 0.679 123.512 122.820 0.022 0.000 1.968 192 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 192 A C 2.525 180.179 177.584 0.116 0.000 1.169 192 A CA 0.895 52.980 52.037 0.079 0.000 0.638 192 A CB -0.723 18.342 19.000 0.107 0.000 0.812 192 A HN 0.362 nan 8.150 nan 0.000 0.446 193 V N 0.261 120.246 119.914 0.118 0.000 2.427 193 V HA -0.214 3.906 4.120 -0.000 0.000 0.248 193 V C 2.514 178.734 176.094 0.210 0.000 1.051 193 V CA 1.636 64.022 62.300 0.143 0.000 1.048 193 V CB -0.657 31.250 31.823 0.139 0.000 0.666 193 V HN 0.555 nan 8.190 nan 0.000 0.456 194 L N -0.842 120.525 121.223 0.240 0.000 2.046 194 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 194 L C 2.443 179.483 176.870 0.283 0.000 1.077 194 L CA 1.553 56.603 54.840 0.350 0.000 0.747 194 L CB -0.557 41.594 42.059 0.152 0.000 0.896 194 L HN 0.321 nan 8.230 nan 0.000 0.432 195 L N -0.517 120.817 121.223 0.185 0.000 1.989 195 L HA -0.287 4.053 4.340 -0.000 0.000 0.211 195 L C 2.621 179.613 176.870 0.204 0.000 1.071 195 L CA 1.148 56.102 54.840 0.190 0.000 0.749 195 L CB -0.518 41.633 42.059 0.154 0.000 0.890 195 L HN 0.225 nan 8.230 nan 0.000 0.431 196 L N -0.434 120.895 121.223 0.176 0.000 2.043 196 L HA -0.247 4.093 4.340 -0.000 0.000 0.212 196 L C 2.245 179.211 176.870 0.160 0.000 1.075 196 L CA 1.831 56.760 54.840 0.147 0.000 0.752 196 L CB -0.240 41.890 42.059 0.119 0.000 0.891 196 L HN 0.145 nan 8.230 nan 0.000 0.432 197 L N -1.501 119.847 121.223 0.208 0.000 2.270 197 L HA -0.029 4.311 4.340 -0.000 0.000 0.210 197 L C 2.449 179.533 176.870 0.357 0.000 1.104 197 L CA 0.943 55.908 54.840 0.207 0.000 0.804 197 L CB -0.457 41.642 42.059 0.066 0.000 0.937 197 L HN 0.452 nan 8.230 nan 0.000 0.450 198 S N -0.600 115.354 115.700 0.424 0.000 2.441 198 S HA 0.005 4.475 4.470 -0.000 0.000 0.224 198 S C 1.911 176.737 174.600 0.375 0.000 1.043 198 S CA 0.045 58.510 58.200 0.442 0.000 0.948 198 S CB -0.449 62.934 63.200 0.305 0.000 0.810 198 S HN 0.247 nan 8.310 nan 0.000 0.504 199 L N 1.786 123.186 121.223 0.295 0.000 2.079 199 L HA -0.005 4.335 4.340 -0.000 0.000 0.210 199 L C -0.779 176.095 176.870 0.007 0.000 1.081 199 L CA 1.322 56.217 54.840 0.091 0.000 0.752 199 L CB -1.326 40.795 42.059 0.103 0.000 0.896 199 L HN 0.290 nan 8.230 nan 0.000 0.433 200 P HA -0.103 nan 4.420 nan 0.000 0.219 200 P C 1.836 179.137 177.300 0.002 0.000 1.150 200 P CA 0.926 64.042 63.100 0.027 0.000 0.814 200 P CB 0.158 31.882 31.700 0.041 0.000 0.787 201 V N -0.418 119.524 119.914 0.047 0.000 2.427 201 V HA -0.191 3.929 4.120 -0.000 0.000 0.248 201 V C 2.318 178.371 176.094 -0.069 0.000 1.051 201 V CA 1.363 63.668 62.300 0.009 0.000 1.048 201 V CB -1.161 30.735 31.823 0.122 0.000 0.666 201 V HN 0.068 nan 8.190 nan 0.000 0.456 202 L N 1.111 122.249 121.223 -0.142 0.000 2.046 202 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 202 L C 2.454 179.186 176.870 -0.230 0.000 1.077 202 L CA 2.360 56.996 54.840 -0.341 0.000 0.747 202 L CB -0.857 40.681 42.059 -0.868 0.000 0.896 202 L HN 0.203 nan 8.230 nan 0.000 0.432 203 A N -0.382 122.347 122.820 -0.152 0.000 1.902 203 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 203 A C 2.459 180.050 177.584 0.012 0.000 1.181 203 A CA 1.882 53.910 52.037 -0.016 0.000 0.623 203 A CB -1.196 17.837 19.000 0.054 0.000 0.818 203 A HN 0.606 nan 8.150 nan 0.000 0.443 204 A N -0.485 122.311 122.820 -0.039 0.000 1.877 204 A HA 0.132 4.452 4.320 -0.000 0.000 0.216 204 A C 2.449 179.995 177.584 -0.065 0.000 1.186 204 A CA 1.967 53.967 52.037 -0.062 0.000 0.620 204 A CB -1.453 17.491 19.000 -0.093 0.000 0.822 204 A HN 0.732 nan 8.150 nan 0.000 0.443 205 G N 0.752 109.516 108.800 -0.060 0.000 2.421 205 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 205 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 205 G C 1.530 176.528 174.900 0.163 0.000 1.171 205 G CA 1.280 46.395 45.100 0.025 0.000 0.775 205 G HN 0.860 nan 8.290 nan 0.000 0.543 206 I N -1.591 119.014 120.570 0.058 0.000 2.676 206 I HA 0.003 4.173 4.170 -0.000 0.000 0.259 206 I C 2.314 178.456 176.117 0.041 0.000 1.194 206 I CA 1.548 62.885 61.300 0.062 0.000 1.473 206 I CB -0.652 37.262 38.000 -0.143 0.000 1.096 206 I HN -0.059 nan 8.210 nan 0.000 0.443 207 T N 1.507 116.110 114.554 0.081 0.000 2.777 207 T HA -0.020 4.330 4.350 -0.000 0.000 0.266 207 T C 1.927 176.655 174.700 0.048 0.000 1.040 207 T CA 1.777 63.945 62.100 0.114 0.000 1.141 207 T CB -0.216 68.721 68.868 0.116 0.000 0.868 207 T HN 0.316 nan 8.240 nan 0.000 0.444 208 M N 0.405 119.974 119.600 -0.052 0.000 2.159 208 M HA -0.042 4.438 4.480 -0.000 0.000 0.263 208 M C 2.235 178.635 176.300 0.166 0.000 1.063 208 M CA 1.204 56.389 55.300 -0.191 0.000 1.110 208 M CB -0.451 31.710 32.600 -0.732 0.000 1.374 208 M HN 0.168 nan 8.290 nan 0.000 0.411 209 L N 0.466 121.928 121.223 0.399 0.000 2.012 209 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 209 L C 2.177 179.130 176.870 0.138 0.000 1.073 209 L CA 1.665 56.711 54.840 0.344 0.000 0.748 209 L CB -0.669 41.510 42.059 0.199 0.000 0.891 209 L HN 0.230 nan 8.230 nan 0.000 0.431 210 L N -0.794 120.464 121.223 0.060 0.000 2.083 210 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 210 L C 2.517 179.421 176.870 0.058 0.000 1.083 210 L CA 2.424 57.258 54.840 -0.010 0.000 0.752 210 L CB -0.868 41.154 42.059 -0.062 0.000 0.899 210 L HN 0.631 nan 8.230 nan 0.000 0.433 211 T N -5.182 109.439 114.554 0.112 0.000 2.985 211 T HA -0.079 4.271 4.350 -0.000 0.000 0.266 211 T C 1.597 176.366 174.700 0.116 0.000 1.076 211 T CA 0.884 63.061 62.100 0.128 0.000 1.135 211 T CB -0.521 68.463 68.868 0.193 0.000 0.890 211 T HN 0.228 nan 8.240 nan 0.000 0.480 212 D N 1.616 122.105 120.400 0.149 0.000 2.149 212 D HA -0.014 4.626 4.640 -0.000 0.000 0.198 212 D C 2.401 178.745 176.300 0.073 0.000 0.990 212 D CA 0.918 54.980 54.000 0.103 0.000 0.839 212 D CB -0.177 40.717 40.800 0.156 0.000 0.948 212 D HN 0.434 nan 8.370 nan 0.000 0.460 213 R N -0.276 120.267 120.500 0.071 0.000 2.148 213 R HA 0.118 4.458 4.340 -0.000 0.000 0.223 213 R C 1.077 177.403 176.300 0.043 0.000 1.088 213 R CA 0.811 56.940 56.100 0.048 0.000 0.985 213 R CB 0.158 30.474 30.300 0.027 0.000 0.880 213 R HN 0.196 nan 8.270 nan 0.000 0.451 214 N N -1.110 117.618 118.700 0.048 0.000 2.129 214 N HA 0.116 4.856 4.740 -0.000 0.000 0.222 214 N C 0.476 176.013 175.510 0.045 0.000 1.303 214 N CA 0.211 53.291 53.050 0.049 0.000 0.897 214 N CB 1.242 39.767 38.487 0.063 0.000 1.093 214 N HN 0.086 nan 8.380 nan 0.000 0.501 215 L N 0.774 122.022 121.223 0.042 0.000 3.229 215 L HA 0.299 4.639 4.340 -0.000 0.000 0.286 215 L C -0.142 176.731 176.870 0.005 0.000 1.239 215 L CA -0.030 54.828 54.840 0.029 0.000 1.035 215 L CB 0.146 42.230 42.059 0.042 0.000 1.408 215 L HN -0.080 nan 8.230 nan 0.000 0.593 216 N N 0.288 118.989 118.700 0.001 0.000 2.782 216 N HA -0.140 4.600 4.740 -0.000 0.000 0.251 216 N C 0.593 176.060 175.510 -0.072 0.000 1.101 216 N CA 1.385 54.420 53.050 -0.025 0.000 0.764 216 N CB -1.357 37.118 38.487 -0.022 0.000 1.122 216 N HN 0.577 nan 8.380 nan 0.000 0.561 217 T N -2.258 112.242 114.554 -0.089 0.000 2.726 217 T HA 0.469 4.819 4.350 -0.000 0.000 0.294 217 T C 1.179 175.741 174.700 -0.230 0.000 1.013 217 T CA 0.482 62.440 62.100 -0.237 0.000 0.996 217 T CB 1.421 70.104 68.868 -0.309 0.000 1.016 217 T HN 0.269 nan 8.240 nan 0.000 0.529 218 T N -1.957 112.356 114.554 -0.401 0.000 3.748 218 T HA 0.317 4.667 4.350 -0.000 0.000 0.281 218 T C 0.603 175.124 174.700 -0.298 0.000 0.977 218 T CA -0.647 61.307 62.100 -0.243 0.000 1.056 218 T CB -0.950 67.824 68.868 -0.156 0.000 1.138 218 T HN 0.475 nan 8.240 nan 0.000 0.498 219 F N 0.680 120.421 119.950 -0.349 0.000 2.202 219 F HA 0.139 4.666 4.527 -0.000 0.000 0.301 219 F C 1.130 176.655 175.800 -0.459 0.000 1.082 219 F CA 0.950 58.621 58.000 -0.549 0.000 1.313 219 F CB -0.280 38.047 39.000 -1.122 0.000 1.024 219 F HN 0.344 nan 8.300 nan 0.000 0.495 220 F N -1.463 118.621 119.950 0.222 0.000 2.683 220 F HA 0.228 4.755 4.527 -0.000 0.000 0.306 220 F C -0.017 175.827 175.800 0.073 0.000 1.102 220 F CA -0.910 57.175 58.000 0.140 0.000 1.244 220 F CB -0.080 38.992 39.000 0.119 0.000 1.029 220 F HN -0.268 nan 8.300 nan 0.000 0.545 221 D N 1.466 121.966 120.400 0.166 0.000 2.453 221 D HA 0.290 4.930 4.640 -0.000 0.000 0.238 221 D C -2.109 174.228 176.300 0.062 0.000 1.088 221 D CA -2.505 51.553 54.000 0.097 0.000 0.854 221 D CB 2.203 43.033 40.800 0.050 0.000 1.076 221 D HN -0.128 nan 8.370 nan 0.000 0.533 222 P HA -0.093 nan 4.420 nan 0.000 0.221 222 P C 1.031 178.349 177.300 0.031 0.000 1.145 222 P CA 0.922 64.054 63.100 0.054 0.000 0.795 222 P CB 0.240 31.973 31.700 0.055 0.000 0.775 223 A N -0.145 122.690 122.820 0.024 0.000 1.972 223 A HA -0.018 4.302 4.320 -0.000 0.000 0.219 223 A C 2.283 179.864 177.584 -0.006 0.000 1.169 223 A CA 1.830 53.873 52.037 0.011 0.000 0.635 223 A CB -1.571 17.435 19.000 0.010 0.000 0.810 223 A HN 0.319 nan 8.150 nan 0.000 0.446 224 G N -2.443 106.346 108.800 -0.018 0.000 3.088 224 G HA2 0.394 4.354 3.960 -0.000 0.000 0.217 224 G HA3 0.394 4.354 3.960 -0.000 0.000 0.217 224 G C 1.003 175.877 174.900 -0.044 0.000 1.159 224 G CA 0.477 45.549 45.100 -0.046 0.000 0.760 224 G HN 1.607 nan 8.290 nan 0.000 0.550 225 G N -1.283 107.509 108.800 -0.014 0.000 2.144 225 G HA2 0.034 3.994 3.960 -0.000 0.000 0.218 225 G HA3 0.034 3.994 3.960 -0.000 0.000 0.218 225 G C 0.685 175.595 174.900 0.017 0.000 0.988 225 G CA 0.131 45.231 45.100 -0.000 0.000 0.659 225 G HN 0.944 nan 8.290 nan 0.000 0.522 226 G N -0.932 107.882 108.800 0.023 0.000 2.537 226 G HA2 0.559 4.519 3.960 -0.000 0.000 0.297 226 G HA3 0.559 4.519 3.960 -0.000 0.000 0.297 226 G C -0.939 174.041 174.900 0.133 0.000 1.310 226 G CA 0.428 45.568 45.100 0.067 0.000 1.027 226 G HN 0.480 nan 8.290 nan 0.000 0.505 227 D N -1.326 119.212 120.400 0.229 0.000 2.613 227 D HA 0.330 4.970 4.640 -0.000 0.000 0.230 227 D C -2.093 174.384 176.300 0.296 0.000 1.365 227 D CA -1.599 52.535 54.000 0.224 0.000 0.976 227 D CB 2.167 43.085 40.800 0.198 0.000 1.415 227 D HN -0.049 nan 8.370 nan 0.000 0.589 228 P HA -0.068 nan 4.420 nan 0.000 0.219 228 P C 1.512 178.798 177.300 -0.024 0.000 1.146 228 P CA 0.406 63.548 63.100 0.070 0.000 0.808 228 P CB 0.319 32.021 31.700 0.003 0.000 0.779 229 I N -1.344 119.246 120.570 0.033 0.000 2.614 229 I HA -0.121 4.049 4.170 -0.000 0.000 0.258 229 I C 2.020 178.174 176.117 0.062 0.000 1.189 229 I CA 0.791 62.077 61.300 -0.024 0.000 1.462 229 I CB -1.583 36.436 38.000 0.031 0.000 1.092 229 I HN 0.007 nan 8.210 nan 0.000 0.442 230 L N 0.466 121.820 121.223 0.218 0.000 2.046 230 L HA -0.235 4.105 4.340 -0.000 0.000 0.208 230 L C 2.566 179.533 176.870 0.162 0.000 1.077 230 L CA 1.805 56.841 54.840 0.327 0.000 0.747 230 L CB -1.207 41.129 42.059 0.463 0.000 0.896 230 L HN 0.257 nan 8.230 nan 0.000 0.432 231 Y N 0.298 120.432 120.300 -0.277 0.000 2.165 231 Y HA -0.320 4.230 4.550 -0.000 0.000 0.286 231 Y C 2.573 178.283 175.900 -0.317 0.000 1.155 231 Y CA 2.311 59.987 58.100 -0.708 0.000 1.164 231 Y CB -0.229 37.411 38.460 -1.368 0.000 0.978 231 Y HN 0.397 nan 8.280 nan 0.000 0.513 232 Q N -1.022 118.620 119.800 -0.263 0.000 2.061 232 Q HA -0.257 4.083 4.340 -0.000 0.000 0.204 232 Q C 2.111 178.127 176.000 0.027 0.000 0.984 232 Q CA 1.668 57.349 55.803 -0.204 0.000 0.846 232 Q CB -0.447 28.116 28.738 -0.292 0.000 0.902 232 Q HN 0.635 nan 8.270 nan 0.000 0.421 233 H N 0.492 119.634 119.070 0.120 0.000 2.352 233 H HA -0.111 4.445 4.556 -0.000 0.000 0.299 233 H C 2.215 177.522 175.328 -0.035 0.000 1.097 233 H CA 1.232 57.397 56.048 0.196 0.000 1.311 233 H CB -0.173 29.711 29.762 0.204 0.000 1.377 233 H HN 0.225 nan 8.280 nan 0.000 0.504 234 L N -0.632 120.581 121.223 -0.016 0.000 2.072 234 L HA -0.145 4.195 4.340 -0.000 0.000 0.205 234 L C 2.534 179.290 176.870 -0.191 0.000 1.079 234 L CA 0.752 55.512 54.840 -0.134 0.000 0.752 234 L CB -0.485 41.468 42.059 -0.177 0.000 0.906 234 L HN 0.092 nan 8.230 nan 0.000 0.436 235 F N -0.032 119.597 119.950 -0.536 0.000 2.069 235 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 235 F C 2.005 177.574 175.800 -0.384 0.000 1.113 235 F CA 1.684 59.321 58.000 -0.604 0.000 1.214 235 F CB -0.400 38.030 39.000 -0.950 0.000 0.978 235 F HN -0.027 nan 8.300 nan 0.000 0.474 236 W N -1.253 120.096 121.300 0.082 0.000 2.584 236 W HA -0.078 4.582 4.660 -0.000 0.000 0.264 236 W C 2.220 178.696 176.519 -0.072 0.000 1.264 236 W CA 0.442 57.801 57.345 0.024 0.000 1.306 236 W CB -0.627 28.977 29.460 0.240 0.000 1.110 236 W HN 0.078 nan 8.180 nan 0.000 0.606 237 F N -0.046 119.801 119.950 -0.172 0.000 2.202 237 F HA -0.250 4.277 4.527 -0.000 0.000 0.301 237 F C 2.168 177.885 175.800 -0.138 0.000 1.082 237 F CA 1.663 59.439 58.000 -0.374 0.000 1.313 237 F CB -0.485 38.165 39.000 -0.583 0.000 1.024 237 F HN -0.028 nan 8.300 nan 0.000 0.495 238 F N 0.189 120.022 119.950 -0.196 0.000 2.270 238 F HA 0.205 4.732 4.527 -0.000 0.000 0.295 238 F C 2.194 177.789 175.800 -0.342 0.000 1.087 238 F CA 1.373 59.205 58.000 -0.280 0.000 1.365 238 F CB -1.100 37.696 39.000 -0.339 0.000 1.056 238 F HN -0.124 nan 8.300 nan 0.000 0.506 239 G N -1.090 107.247 108.800 -0.771 0.000 2.422 239 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.218 239 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.218 239 G C 1.392 176.105 174.900 -0.311 0.000 1.140 239 G CA 1.042 45.637 45.100 -0.841 0.000 0.775 239 G HN 0.541 nan 8.290 nan 0.000 0.545 240 H N 1.414 120.449 119.070 -0.058 0.000 2.343 240 H HA 0.056 4.612 4.556 -0.000 0.000 0.303 240 H C 0.137 175.417 175.328 -0.081 0.000 1.068 240 H CA 1.142 57.239 56.048 0.081 0.000 1.359 240 H CB -0.457 29.426 29.762 0.202 0.000 1.402 240 H HN 0.227 nan 8.280 nan 0.000 0.515 241 P HA -0.186 nan 4.420 nan 0.000 0.216 241 P C 1.303 178.355 177.300 -0.413 0.000 1.154 241 P CA 2.014 64.832 63.100 -0.471 0.000 0.865 241 P CB 0.036 31.221 31.700 -0.859 0.000 0.789 242 E N -0.096 119.712 120.200 -0.653 0.000 2.097 242 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 242 E C 1.736 178.047 176.600 -0.482 0.000 1.000 242 E CA 1.658 57.671 56.400 -0.645 0.000 0.804 242 E CB -1.273 27.798 29.700 -1.048 0.000 0.740 242 E HN 0.134 nan 8.360 nan 0.000 0.454 243 V N -1.212 118.372 119.914 -0.551 0.000 2.427 243 V HA -0.221 3.899 4.120 -0.000 0.000 0.248 243 V C 1.989 177.700 176.094 -0.637 0.000 1.051 243 V CA 1.847 63.790 62.300 -0.594 0.000 1.048 243 V CB -1.243 30.192 31.823 -0.646 0.000 0.666 243 V HN 0.240 nan 8.190 nan 0.000 0.456 244 Y N 0.454 120.562 120.300 -0.321 0.000 2.352 244 Y HA 0.099 4.649 4.550 -0.000 0.000 0.292 244 Y C 2.376 178.149 175.900 -0.212 0.000 1.136 244 Y CA 1.609 59.587 58.100 -0.203 0.000 1.227 244 Y CB -0.583 37.815 38.460 -0.103 0.000 0.991 244 Y HN 0.200 nan 8.280 nan 0.000 0.545 245 I N -0.585 119.911 120.570 -0.124 0.000 2.394 245 I HA -0.274 3.896 4.170 -0.000 0.000 0.251 245 I C 1.886 177.906 176.117 -0.161 0.000 1.136 245 I CA 1.084 62.313 61.300 -0.120 0.000 1.425 245 I CB -0.272 37.652 38.000 -0.126 0.000 1.079 245 I HN 0.223 nan 8.210 nan 0.000 0.425 246 L N -0.368 120.718 121.223 -0.228 0.000 2.141 246 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 246 L C 2.346 179.106 176.870 -0.183 0.000 1.094 246 L CA 1.035 55.747 54.840 -0.212 0.000 0.763 246 L CB -0.207 41.685 42.059 -0.278 0.000 0.908 246 L HN 0.239 nan 8.230 nan 0.000 0.437 247 I N -1.067 119.353 120.570 -0.250 0.000 2.867 247 I HA -0.100 4.070 4.170 -0.000 0.000 0.265 247 I C 2.087 177.913 176.117 -0.485 0.000 1.162 247 I CA 0.896 61.991 61.300 -0.342 0.000 1.471 247 I CB 0.137 37.888 38.000 -0.415 0.000 1.123 247 I HN 0.021 nan 8.210 nan 0.000 0.440 248 L N 1.115 122.111 121.223 -0.377 0.000 2.012 248 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 248 L C -0.456 176.384 176.870 -0.051 0.000 1.073 248 L CA 1.722 56.410 54.840 -0.253 0.000 0.748 248 L CB -1.724 40.301 42.059 -0.055 0.000 0.891 248 L HN 0.194 nan 8.230 nan 0.000 0.431 249 P HA -0.110 nan 4.420 nan 0.000 0.222 249 P C 1.398 178.820 177.300 0.204 0.000 1.147 249 P CA 1.458 64.618 63.100 0.099 0.000 0.790 249 P CB -0.114 31.638 31.700 0.087 0.000 0.780 250 G N -1.528 107.302 108.800 0.050 0.000 2.394 250 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.215 250 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.215 250 G C 1.403 176.302 174.900 -0.002 0.000 1.165 250 G CA 0.088 45.177 45.100 -0.019 0.000 0.784 250 G HN 0.231 nan 8.290 nan 0.000 0.535 251 F N 1.274 121.238 119.950 0.022 0.000 2.171 251 F HA -0.033 4.494 4.527 -0.000 0.000 0.300 251 F C 2.944 178.903 175.800 0.264 0.000 1.090 251 F CA 0.286 58.385 58.000 0.165 0.000 1.293 251 F CB 0.031 39.234 39.000 0.338 0.000 1.013 251 F HN 0.270 nan 8.300 nan 0.000 0.486 252 G N 0.128 109.227 108.800 0.498 0.000 2.402 252 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.216 252 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.216 252 G C 1.602 176.818 174.900 0.526 0.000 1.162 252 G CA 0.457 45.894 45.100 0.562 0.000 0.777 252 G HN 0.190 nan 8.290 nan 0.000 0.539 253 M N 0.222 120.014 119.600 0.320 0.000 2.159 253 M HA -0.000 4.480 4.480 -0.000 0.000 0.263 253 M C 2.434 178.748 176.300 0.023 0.000 1.063 253 M CA 0.955 56.314 55.300 0.099 0.000 1.110 253 M CB -0.328 32.212 32.600 -0.100 0.000 1.374 253 M HN 0.106 nan 8.290 nan 0.000 0.411 254 I N -0.119 120.354 120.570 -0.162 0.000 2.226 254 I HA -0.214 3.956 4.170 -0.000 0.000 0.245 254 I C 2.448 178.403 176.117 -0.271 0.000 1.100 254 I CA 1.446 62.461 61.300 -0.476 0.000 1.374 254 I CB -1.233 36.074 38.000 -1.154 0.000 1.057 254 I HN 0.231 nan 8.210 nan 0.000 0.413 255 S N -0.539 115.249 115.700 0.146 0.000 2.368 255 S HA -0.174 4.296 4.470 -0.000 0.000 0.225 255 S C 1.889 176.657 174.600 0.279 0.000 1.030 255 S CA 0.954 59.404 58.200 0.417 0.000 0.999 255 S CB -0.390 63.169 63.200 0.597 0.000 0.844 255 S HN 0.495 nan 8.310 nan 0.000 0.459 256 H N 0.306 119.496 119.070 0.199 0.000 2.357 256 H HA 0.058 4.614 4.556 -0.000 0.000 0.301 256 H C 2.128 177.444 175.328 -0.020 0.000 1.082 256 H CA 1.365 57.526 56.048 0.188 0.000 1.342 256 H CB -0.139 29.835 29.762 0.352 0.000 1.389 256 H HN 0.346 nan 8.280 nan 0.000 0.511 257 I N 0.249 120.793 120.570 -0.044 0.000 2.252 257 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 257 I C 2.533 178.638 176.117 -0.020 0.000 1.102 257 I CA 0.568 61.737 61.300 -0.217 0.000 1.385 257 I CB -0.132 37.717 38.000 -0.252 0.000 1.064 257 I HN -0.004 nan 8.210 nan 0.000 0.414 258 V N 0.595 120.488 119.914 -0.035 0.000 2.287 258 V HA -0.302 3.818 4.120 -0.000 0.000 0.248 258 V C 2.520 178.644 176.094 0.050 0.000 1.053 258 V CA 2.542 64.845 62.300 0.005 0.000 1.027 258 V CB -0.965 30.852 31.823 -0.010 0.000 0.646 258 V HN 0.476 nan 8.190 nan 0.000 0.447 259 T N -1.158 113.440 114.554 0.074 0.000 2.708 259 T HA -0.250 4.100 4.350 -0.000 0.000 0.266 259 T C 1.742 176.437 174.700 -0.009 0.000 1.037 259 T CA 2.177 64.314 62.100 0.061 0.000 1.146 259 T CB -0.395 68.520 68.868 0.077 0.000 0.865 259 T HN 0.565 nan 8.240 nan 0.000 0.435 260 Y N 0.495 120.681 120.300 -0.189 0.000 2.145 260 Y HA -0.181 4.369 4.550 -0.000 0.000 0.286 260 Y C 1.832 177.453 175.900 -0.464 0.000 1.145 260 Y CA 1.344 59.220 58.100 -0.373 0.000 1.148 260 Y CB -0.238 37.850 38.460 -0.620 0.000 0.981 260 Y HN 0.238 nan 8.280 nan 0.000 0.507 261 Y N -1.297 119.012 120.300 0.014 0.000 2.546 261 Y HA 0.033 4.583 4.550 -0.000 0.000 0.287 261 Y C 2.263 178.070 175.900 -0.156 0.000 1.158 261 Y CA 0.778 58.832 58.100 -0.076 0.000 1.307 261 Y CB -0.133 38.261 38.460 -0.110 0.000 1.036 261 Y HN 0.003 nan 8.280 nan 0.000 0.532 262 S N -0.863 114.812 115.700 -0.043 0.000 2.603 262 S HA 0.157 4.627 4.470 -0.000 0.000 0.220 262 S C 1.808 176.350 174.600 -0.096 0.000 0.967 262 S CA 0.703 58.863 58.200 -0.067 0.000 0.920 262 S CB -0.354 62.833 63.200 -0.021 0.000 0.773 262 S HN 0.683 nan 8.310 nan 0.000 0.529 263 G N 1.793 110.493 108.800 -0.167 0.000 2.147 263 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.244 263 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.244 263 G C -0.100 174.709 174.900 -0.151 0.000 1.005 263 G CA 0.016 44.995 45.100 -0.202 0.000 0.713 263 G HN 0.298 nan 8.290 nan 0.000 0.515 264 K N 0.005 120.339 120.400 -0.110 0.000 2.095 264 K HA 0.418 4.738 4.320 -0.000 0.000 0.252 264 K C 1.463 178.031 176.600 -0.053 0.000 0.977 264 K CA -0.254 56.004 56.287 -0.049 0.000 0.900 264 K CB 1.247 33.756 32.500 0.014 0.000 1.060 264 K HN 0.453 nan 8.250 nan 0.000 0.449 265 K N -0.012 120.374 120.400 -0.023 0.000 2.400 265 K HA -0.002 4.318 4.320 -0.000 0.000 0.194 265 K C 0.128 176.740 176.600 0.020 0.000 1.033 265 K CA 0.622 56.903 56.287 -0.010 0.000 1.021 265 K CB 0.324 32.820 32.500 -0.007 0.000 0.808 265 K HN 0.667 nan 8.250 nan 0.000 0.505 266 E N 0.466 120.688 120.200 0.037 0.000 2.423 266 E HA 0.333 4.683 4.350 -0.000 0.000 0.280 266 E C -3.094 173.572 176.600 0.110 0.000 1.030 266 E CA -2.401 54.038 56.400 0.065 0.000 0.812 266 E CB 1.386 31.112 29.700 0.044 0.000 1.313 266 E HN -0.192 nan 8.360 nan 0.000 0.456 267 P HA 0.104 nan 4.420 nan 0.000 0.272 267 P C -0.641 176.795 177.300 0.226 0.000 1.230 267 P CA -0.336 62.897 63.100 0.221 0.000 0.788 267 P CB 0.369 32.220 31.700 0.250 0.000 0.949 268 F N 1.268 121.290 119.950 0.121 0.000 2.484 268 F HA 0.385 4.912 4.527 -0.000 0.000 0.360 268 F C 1.361 177.210 175.800 0.082 0.000 1.101 268 F CA 1.284 59.341 58.000 0.095 0.000 1.251 268 F CB -0.088 38.967 39.000 0.092 0.000 1.132 268 F HN 0.698 nan 8.300 nan 0.000 0.570 269 G N 5.461 113.940 108.800 -0.534 0.000 2.314 269 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.292 269 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.292 269 G C 0.467 175.351 174.900 -0.026 0.000 1.059 269 G CA 0.550 45.469 45.100 -0.301 0.000 0.982 269 G HN 1.045 nan 8.290 nan 0.000 0.505 270 Y N 0.068 120.310 120.300 -0.097 0.000 2.102 270 Y HA -0.266 4.284 4.550 -0.000 0.000 0.280 270 Y C 2.630 178.496 175.900 -0.057 0.000 1.178 270 Y CA 2.741 60.824 58.100 -0.028 0.000 1.146 270 Y CB -0.053 38.410 38.460 0.004 0.000 0.968 270 Y HN 0.391 nan 8.280 nan 0.000 0.504 271 M N -0.430 119.209 119.600 0.066 0.000 2.349 271 M HA -0.011 4.469 4.480 -0.000 0.000 0.266 271 M C 2.388 178.622 176.300 -0.110 0.000 1.076 271 M CA 1.201 56.456 55.300 -0.076 0.000 1.126 271 M CB -1.650 30.934 32.600 -0.027 0.000 1.392 271 M HN 0.488 nan 8.290 nan 0.000 0.440 272 G N 0.217 108.976 108.800 -0.068 0.000 2.422 272 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.218 272 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.218 272 G C 1.516 176.448 174.900 0.054 0.000 1.140 272 G CA 0.448 45.560 45.100 0.020 0.000 0.775 272 G HN 0.256 nan 8.290 nan 0.000 0.545 273 M N 0.505 120.047 119.600 -0.096 0.000 2.159 273 M HA 0.000 4.480 4.480 -0.000 0.000 0.263 273 M C 2.722 178.866 176.300 -0.260 0.000 1.063 273 M CA 0.659 55.858 55.300 -0.169 0.000 1.110 273 M CB -1.065 31.430 32.600 -0.175 0.000 1.374 273 M HN 0.116 nan 8.290 nan 0.000 0.411 274 V N -0.925 118.713 119.914 -0.459 0.000 2.237 274 V HA -0.275 3.845 4.120 -0.000 0.000 0.245 274 V C 2.088 177.970 176.094 -0.354 0.000 1.046 274 V CA 2.033 63.924 62.300 -0.681 0.000 1.007 274 V CB -0.923 30.229 31.823 -1.119 0.000 0.638 274 V HN 0.637 nan 8.190 nan 0.000 0.445 275 W N 1.077 122.175 121.300 -0.336 0.000 2.338 275 W HA -0.246 4.414 4.660 -0.000 0.000 0.304 275 W C 2.386 178.823 176.519 -0.136 0.000 1.212 275 W CA 2.336 59.560 57.345 -0.202 0.000 1.264 275 W CB -0.358 29.004 29.460 -0.162 0.000 1.142 275 W HN 0.205 nan 8.180 nan 0.000 0.512 276 A N 0.208 122.921 122.820 -0.178 0.000 1.873 276 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 276 A C 2.047 179.444 177.584 -0.312 0.000 1.186 276 A CA 2.030 53.829 52.037 -0.397 0.000 0.616 276 A CB -0.856 18.075 19.000 -0.116 0.000 0.823 276 A HN 0.408 nan 8.150 nan 0.000 0.442 277 M N -1.067 118.432 119.600 -0.169 0.000 2.175 277 M HA -0.096 4.384 4.480 -0.000 0.000 0.264 277 M C 2.345 178.605 176.300 -0.067 0.000 1.063 277 M CA 1.301 56.586 55.300 -0.026 0.000 1.119 277 M CB -0.422 32.211 32.600 0.055 0.000 1.377 277 M HN 0.401 nan 8.290 nan 0.000 0.415 278 M N -0.638 118.875 119.600 -0.145 0.000 2.159 278 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 278 M C 2.203 178.422 176.300 -0.136 0.000 1.063 278 M CA 1.464 56.712 55.300 -0.088 0.000 1.110 278 M CB -0.703 31.836 32.600 -0.101 0.000 1.374 278 M HN 0.216 nan 8.290 nan 0.000 0.411 279 S N 0.879 116.337 115.700 -0.402 0.000 2.368 279 S HA -0.028 4.442 4.470 -0.000 0.000 0.224 279 S C 1.839 176.341 174.600 -0.163 0.000 1.029 279 S CA 1.005 58.970 58.200 -0.391 0.000 0.988 279 S CB -0.300 62.374 63.200 -0.877 0.000 0.838 279 S HN 0.378 nan 8.310 nan 0.000 0.462 280 I N 1.485 121.950 120.570 -0.175 0.000 2.394 280 I HA -0.111 4.059 4.170 -0.000 0.000 0.251 280 I C 2.539 178.570 176.117 -0.144 0.000 1.136 280 I CA 1.021 62.236 61.300 -0.141 0.000 1.425 280 I CB -0.533 37.465 38.000 -0.004 0.000 1.079 280 I HN 0.365 nan 8.210 nan 0.000 0.425 281 G N 0.180 108.978 108.800 -0.003 0.000 2.421 281 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.217 281 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.217 281 G C 1.542 176.577 174.900 0.224 0.000 1.143 281 G CA 0.227 45.382 45.100 0.091 0.000 0.784 281 G HN 0.359 nan 8.290 nan 0.000 0.541 282 F N 0.971 120.958 119.950 0.062 0.000 2.118 282 F HA 0.197 4.724 4.527 -0.000 0.000 0.293 282 F C 2.385 178.264 175.800 0.132 0.000 1.102 282 F CA 0.815 58.896 58.000 0.134 0.000 1.247 282 F CB -0.139 38.883 39.000 0.037 0.000 1.017 282 F HN -0.008 nan 8.300 nan 0.000 0.475 283 L N 0.361 121.689 121.223 0.176 0.000 2.127 283 L HA -0.173 4.167 4.340 -0.000 0.000 0.211 283 L C 2.637 179.432 176.870 -0.125 0.000 1.089 283 L CA 1.240 56.090 54.840 0.018 0.000 0.757 283 L CB -1.469 40.593 42.059 0.005 0.000 0.899 283 L HN 0.398 nan 8.230 nan 0.000 0.434 284 G N -0.957 107.718 108.800 -0.210 0.000 2.535 284 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.218 284 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.218 284 G C 1.156 175.908 174.900 -0.247 0.000 1.122 284 G CA 0.220 45.160 45.100 -0.267 0.000 0.769 284 G HN 0.298 nan 8.290 nan 0.000 0.549 285 F N 0.105 119.963 119.950 -0.154 0.000 2.765 285 F HA 0.305 4.832 4.527 -0.000 0.000 0.302 285 F C 1.788 177.619 175.800 0.050 0.000 1.111 285 F CA -0.083 57.797 58.000 -0.200 0.000 1.359 285 F CB 0.412 39.256 39.000 -0.261 0.000 1.097 285 F HN 0.214 nan 8.300 nan 0.000 0.577 286 I N -2.239 118.468 120.570 0.229 0.000 3.833 286 I HA 0.244 4.414 4.170 -0.000 0.000 0.328 286 I C 0.426 176.720 176.117 0.296 0.000 1.554 286 I CA -0.020 61.505 61.300 0.375 0.000 1.116 286 I CB 0.132 38.249 38.000 0.195 0.000 1.182 286 I HN -0.100 nan 8.210 nan 0.000 0.459 287 V N -3.372 116.672 119.914 0.216 0.000 3.432 287 V HA 0.213 4.333 4.120 -0.000 0.000 0.298 287 V C 1.687 177.584 176.094 -0.328 0.000 1.464 287 V CA -0.194 62.125 62.300 0.032 0.000 1.046 287 V CB -0.911 30.761 31.823 -0.251 0.000 0.887 287 V HN 0.691 nan 8.190 nan 0.000 0.441 288 W N 1.855 123.086 121.300 -0.115 0.000 2.392 288 W HA 0.160 4.820 4.660 -0.000 0.000 0.279 288 W C 1.829 178.049 176.519 -0.498 0.000 1.225 288 W CA 1.316 58.520 57.345 -0.235 0.000 1.233 288 W CB -0.719 28.797 29.460 0.092 0.000 1.122 288 W HN 0.210 nan 8.180 nan 0.000 0.561 289 A N 1.981 123.700 122.820 -1.835 0.000 2.248 289 A HA -0.167 4.153 4.320 -0.000 0.000 0.210 289 A C 1.791 178.545 177.584 -1.383 0.000 1.174 289 A CA 1.165 52.231 52.037 -1.619 0.000 0.750 289 A CB -1.820 15.813 19.000 -2.278 0.000 0.780 289 A HN 0.795 nan 8.150 nan 0.000 0.478 290 H N -2.790 115.523 119.070 -1.260 0.000 2.561 290 H HA -0.039 4.517 4.556 -0.000 0.000 0.278 290 H C 0.801 175.277 175.328 -1.420 0.000 1.014 290 H CA 0.977 55.969 56.048 -1.760 0.000 1.211 290 H CB -0.362 28.833 29.762 -0.944 0.000 1.365 290 H HN 0.670 nan 8.280 nan 0.000 0.594 291 H N 0.399 119.031 119.070 -0.730 0.000 2.539 291 H HA 0.195 4.751 4.556 -0.000 0.000 0.267 291 H C 0.590 175.562 175.328 -0.594 0.000 0.982 291 H CA 0.367 55.950 56.048 -0.774 0.000 1.146 291 H CB 0.444 29.154 29.762 -1.752 0.000 1.382 291 H HN 0.492 nan 8.280 nan 0.000 0.577 292 M N -0.537 118.726 119.600 -0.561 0.000 2.848 292 M HA 0.099 4.579 4.480 -0.000 0.000 0.420 292 M C 0.096 176.228 176.300 -0.281 0.000 1.304 292 M CA -0.171 54.917 55.300 -0.353 0.000 0.844 292 M CB 0.582 33.005 32.600 -0.295 0.000 1.451 292 M HN -0.084 nan 8.290 nan 0.000 0.511 293 F N 0.860 120.624 119.950 -0.311 0.000 2.546 293 F HA -0.029 4.498 4.527 -0.000 0.000 0.298 293 F C 2.443 178.127 175.800 -0.193 0.000 1.120 293 F CA 1.264 59.133 58.000 -0.219 0.000 1.456 293 F CB -0.515 38.372 39.000 -0.187 0.000 1.088 293 F HN 0.241 nan 8.300 nan 0.000 0.572 294 T N -3.533 110.956 114.554 -0.109 0.000 3.145 294 T HA 0.141 4.491 4.350 -0.000 0.000 0.255 294 T C 1.563 176.254 174.700 -0.015 0.000 1.039 294 T CA 0.656 62.725 62.100 -0.051 0.000 0.928 294 T CB -0.708 68.131 68.868 -0.048 0.000 1.029 294 T HN 0.100 nan 8.240 nan 0.000 0.554 295 V N -1.663 118.236 119.914 -0.025 0.000 3.461 295 V HA 0.556 4.676 4.120 -0.000 0.000 0.267 295 V C 1.419 177.531 176.094 0.029 0.000 1.186 295 V CA 0.477 62.778 62.300 0.002 0.000 1.154 295 V CB -1.125 30.682 31.823 -0.028 0.000 0.802 295 V HN 0.797 nan 8.190 nan 0.000 0.474 296 G N 0.051 108.874 108.800 0.038 0.000 2.455 296 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.169 296 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.169 296 G C -0.441 174.497 174.900 0.064 0.000 1.074 296 G CA 0.061 45.191 45.100 0.049 0.000 0.796 296 G HN 0.458 nan 8.290 nan 0.000 0.489 297 M N 0.593 120.238 119.600 0.075 0.000 2.409 297 M HA 0.398 4.878 4.480 -0.000 0.000 0.329 297 M C 0.076 176.432 176.300 0.093 0.000 1.180 297 M CA -0.806 54.555 55.300 0.102 0.000 1.053 297 M CB 0.725 33.406 32.600 0.136 0.000 1.586 297 M HN 0.124 nan 8.290 nan 0.000 0.461 298 D N 1.099 121.558 120.400 0.099 0.000 2.478 298 D HA -0.064 4.576 4.640 -0.000 0.000 0.234 298 D C 0.861 177.209 176.300 0.080 0.000 1.154 298 D CA 0.108 54.156 54.000 0.080 0.000 0.874 298 D CB 0.959 41.807 40.800 0.081 0.000 1.198 298 D HN 0.377 nan 8.370 nan 0.000 0.455 299 V N 2.026 121.970 119.914 0.051 0.000 2.515 299 V HA -0.223 3.897 4.120 -0.000 0.000 0.250 299 V C 1.216 177.340 176.094 0.049 0.000 1.058 299 V CA 1.831 64.151 62.300 0.033 0.000 1.064 299 V CB -0.067 31.764 31.823 0.013 0.000 0.675 299 V HN 0.401 nan 8.190 nan 0.000 0.461 300 D N -0.480 119.956 120.400 0.060 0.000 2.123 300 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 300 D C 2.257 178.631 176.300 0.124 0.000 0.976 300 D CA 1.792 55.834 54.000 0.070 0.000 0.831 300 D CB -0.493 40.339 40.800 0.053 0.000 0.974 300 D HN 0.443 nan 8.370 nan 0.000 0.469 301 T N 1.028 115.676 114.554 0.158 0.000 2.684 301 T HA -0.141 4.209 4.350 -0.000 0.000 0.267 301 T C 1.964 176.892 174.700 0.378 0.000 1.036 301 T CA 0.993 63.257 62.100 0.273 0.000 1.148 301 T CB -0.067 68.967 68.868 0.277 0.000 0.863 301 T HN 0.161 nan 8.240 nan 0.000 0.436 302 R N 0.935 121.591 120.500 0.259 0.000 2.105 302 R HA -0.050 4.290 4.340 -0.000 0.000 0.239 302 R C 2.770 179.122 176.300 0.087 0.000 1.135 302 R CA 1.362 57.576 56.100 0.190 0.000 0.967 302 R CB -0.472 29.815 30.300 -0.021 0.000 0.861 302 R HN 0.382 nan 8.270 nan 0.000 0.442 303 A N 0.489 123.344 122.820 0.057 0.000 1.898 303 A HA -0.206 4.114 4.320 -0.000 0.000 0.216 303 A C 1.994 179.579 177.584 0.002 0.000 1.181 303 A CA 1.146 53.185 52.037 0.004 0.000 0.620 303 A CB -0.688 18.320 19.000 0.013 0.000 0.819 303 A HN 0.480 nan 8.150 nan 0.000 0.442 304 Y N -0.543 119.737 120.300 -0.033 0.000 2.145 304 Y HA -0.220 4.330 4.550 -0.000 0.000 0.286 304 Y C 1.870 177.660 175.900 -0.183 0.000 1.145 304 Y CA 1.959 59.971 58.100 -0.146 0.000 1.148 304 Y CB -0.578 37.727 38.460 -0.258 0.000 0.981 304 Y HN 0.236 nan 8.280 nan 0.000 0.507 305 F N 0.163 119.974 119.950 -0.232 0.000 2.234 305 F HA -0.157 4.370 4.527 -0.000 0.000 0.299 305 F C 2.468 178.216 175.800 -0.087 0.000 1.087 305 F CA 1.839 59.682 58.000 -0.262 0.000 1.340 305 F CB -0.893 38.116 39.000 0.015 0.000 1.031 305 F HN 0.023 nan 8.300 nan 0.000 0.500 306 T N -1.027 113.607 114.554 0.133 0.000 2.701 306 T HA -0.162 4.188 4.350 -0.000 0.000 0.263 306 T C 2.283 176.939 174.700 -0.073 0.000 1.040 306 T CA 1.769 63.899 62.100 0.051 0.000 1.147 306 T CB -0.431 68.387 68.868 -0.083 0.000 0.865 306 T HN 0.160 nan 8.240 nan 0.000 0.426 307 S N 1.553 117.156 115.700 -0.161 0.000 2.359 307 S HA -0.105 4.365 4.470 -0.000 0.000 0.224 307 S C 2.539 177.019 174.600 -0.201 0.000 1.035 307 S CA 1.156 59.257 58.200 -0.165 0.000 1.018 307 S CB -0.626 62.475 63.200 -0.165 0.000 0.876 307 S HN 0.585 nan 8.310 nan 0.000 0.448 308 A N 1.213 123.793 122.820 -0.400 0.000 1.898 308 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 308 A C 2.353 179.834 177.584 -0.171 0.000 1.181 308 A CA 1.953 53.778 52.037 -0.353 0.000 0.620 308 A CB -1.330 17.252 19.000 -0.697 0.000 0.819 308 A HN 0.467 nan 8.150 nan 0.000 0.442 309 T N 0.118 114.602 114.554 -0.117 0.000 2.708 309 T HA -0.167 4.183 4.350 -0.000 0.000 0.266 309 T C 1.941 176.640 174.700 -0.001 0.000 1.037 309 T CA 1.833 63.937 62.100 0.006 0.000 1.146 309 T CB -0.327 68.615 68.868 0.123 0.000 0.865 309 T HN 0.430 nan 8.240 nan 0.000 0.435 310 M N 0.196 119.784 119.600 -0.020 0.000 2.149 310 M HA -0.018 4.462 4.480 -0.000 0.000 0.261 310 M C 2.128 178.433 176.300 0.007 0.000 1.064 310 M CA 1.485 56.780 55.300 -0.009 0.000 1.102 310 M CB -0.552 32.035 32.600 -0.021 0.000 1.369 310 M HN 0.222 nan 8.290 nan 0.000 0.408 311 I N 0.231 120.799 120.570 -0.003 0.000 2.454 311 I HA -0.286 3.884 4.170 -0.000 0.000 0.254 311 I C 2.040 178.179 176.117 0.036 0.000 1.156 311 I CA 1.014 62.328 61.300 0.023 0.000 1.433 311 I CB -0.319 37.692 38.000 0.018 0.000 1.082 311 I HN 0.278 nan 8.210 nan 0.000 0.432 312 I N 0.875 121.462 120.570 0.027 0.000 2.502 312 I HA -0.320 3.850 4.170 -0.000 0.000 0.258 312 I C 2.660 178.827 176.117 0.083 0.000 1.172 312 I CA 1.105 62.431 61.300 0.042 0.000 1.430 312 I CB -0.504 37.536 38.000 0.068 0.000 1.086 312 I HN 0.233 nan 8.210 nan 0.000 0.440 313 A N 1.012 123.879 122.820 0.080 0.000 2.015 313 A HA -0.122 4.198 4.320 -0.000 0.000 0.219 313 A C 2.246 179.884 177.584 0.089 0.000 1.163 313 A CA 1.139 53.227 52.037 0.085 0.000 0.646 313 A CB -0.529 18.507 19.000 0.060 0.000 0.806 313 A HN 0.387 nan 8.150 nan 0.000 0.448 314 I N 0.443 121.072 120.570 0.098 0.000 2.142 314 I HA -0.148 4.022 4.170 -0.000 0.000 0.240 314 I C -0.336 175.888 176.117 0.179 0.000 1.078 314 I CA 1.443 62.831 61.300 0.147 0.000 1.343 314 I CB -1.156 36.948 38.000 0.173 0.000 1.046 314 I HN 0.238 nan 8.210 nan 0.000 0.405 315 P HA -0.092 nan 4.420 nan 0.000 0.221 315 P C 1.527 178.820 177.300 -0.012 0.000 1.150 315 P CA 1.498 64.603 63.100 0.007 0.000 0.800 315 P CB -0.199 31.273 31.700 -0.379 0.000 0.787 316 T N -0.346 114.221 114.554 0.022 0.000 2.857 316 T HA -0.033 4.317 4.350 -0.000 0.000 0.266 316 T C 2.137 176.772 174.700 -0.108 0.000 1.048 316 T CA 1.698 63.806 62.100 0.014 0.000 1.139 316 T CB -1.042 67.957 68.868 0.218 0.000 0.874 316 T HN 0.177 nan 8.240 nan 0.000 0.455 317 G N 1.191 109.955 108.800 -0.059 0.000 2.422 317 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.218 317 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.218 317 G C 1.685 176.468 174.900 -0.194 0.000 1.146 317 G CA 0.754 45.719 45.100 -0.225 0.000 0.769 317 G HN 0.425 nan 8.290 nan 0.000 0.547 318 V N 0.880 120.816 119.914 0.038 0.000 2.324 318 V HA -0.236 3.884 4.120 -0.000 0.000 0.250 318 V C 2.780 178.788 176.094 -0.144 0.000 1.060 318 V CA 2.304 64.657 62.300 0.087 0.000 1.042 318 V CB -0.388 31.565 31.823 0.217 0.000 0.650 318 V HN 0.400 nan 8.190 nan 0.000 0.450 319 K N -0.561 119.602 120.400 -0.394 0.000 2.103 319 K HA -0.052 4.268 4.320 -0.000 0.000 0.204 319 K C 2.095 178.068 176.600 -1.045 0.000 1.052 319 K CA 1.017 56.791 56.287 -0.856 0.000 0.945 319 K CB -0.279 31.464 32.500 -1.262 0.000 0.722 319 K HN 0.340 nan 8.250 nan 0.000 0.443 320 V N 1.172 120.678 119.914 -0.680 0.000 2.307 320 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 320 V C 1.958 177.954 176.094 -0.164 0.000 1.045 320 V CA 1.745 63.853 62.300 -0.319 0.000 1.024 320 V CB -0.542 31.103 31.823 -0.296 0.000 0.651 320 V HN 0.205 nan 8.190 nan 0.000 0.449 321 F N 0.253 120.177 119.950 -0.043 0.000 2.269 321 F HA -0.165 4.362 4.527 -0.000 0.000 0.301 321 F C 2.591 178.320 175.800 -0.118 0.000 1.082 321 F CA 1.214 59.179 58.000 -0.057 0.000 1.360 321 F CB -0.485 38.476 39.000 -0.064 0.000 1.041 321 F HN 0.082 nan 8.300 nan 0.000 0.512 322 S N -0.935 114.772 115.700 0.012 0.000 2.387 322 S HA -0.125 4.345 4.470 -0.000 0.000 0.226 322 S C 1.689 176.348 174.600 0.099 0.000 1.026 322 S CA 0.589 58.816 58.200 0.046 0.000 0.972 322 S CB -0.305 62.930 63.200 0.058 0.000 0.814 322 S HN 0.390 nan 8.310 nan 0.000 0.477 323 W N 2.048 123.401 121.300 0.088 0.000 2.358 323 W HA 0.068 4.728 4.660 -0.000 0.000 0.303 323 W C 1.911 178.472 176.519 0.070 0.000 1.208 323 W CA 0.294 57.688 57.345 0.081 0.000 1.274 323 W CB -1.263 28.241 29.460 0.074 0.000 1.138 323 W HN 0.306 nan 8.180 nan 0.000 0.515 324 L N 0.213 121.613 121.223 0.295 0.000 2.046 324 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 324 L C 2.616 179.529 176.870 0.071 0.000 1.077 324 L CA 1.596 56.544 54.840 0.182 0.000 0.747 324 L CB -1.368 40.814 42.059 0.205 0.000 0.896 324 L HN -0.142 nan 8.230 nan 0.000 0.432 325 A N -0.708 122.065 122.820 -0.077 0.000 2.067 325 A HA -0.136 4.184 4.320 -0.000 0.000 0.219 325 A C 2.320 179.903 177.584 -0.002 0.000 1.158 325 A CA 1.900 53.761 52.037 -0.294 0.000 0.661 325 A CB -0.676 17.584 19.000 -1.234 0.000 0.801 325 A HN 0.385 nan 8.150 nan 0.000 0.452 326 T N 0.460 115.107 114.554 0.155 0.000 2.812 326 T HA -0.038 4.312 4.350 -0.000 0.000 0.264 326 T C 1.752 176.543 174.700 0.151 0.000 1.042 326 T CA 1.351 63.589 62.100 0.231 0.000 1.140 326 T CB -0.329 68.704 68.868 0.274 0.000 0.870 326 T HN 0.404 nan 8.240 nan 0.000 0.445 327 L N 0.128 121.429 121.223 0.130 0.000 2.083 327 L HA -0.005 4.335 4.340 -0.000 0.000 0.209 327 L C 1.365 178.287 176.870 0.086 0.000 1.083 327 L CA 0.572 55.455 54.840 0.071 0.000 0.752 327 L CB -0.748 41.345 42.059 0.057 0.000 0.899 327 L HN 0.328 nan 8.230 nan 0.000 0.433 328 H N 0.598 119.674 119.070 0.010 0.000 3.107 328 H HA 0.218 4.774 4.556 -0.000 0.000 0.301 328 H C 1.138 176.475 175.328 0.016 0.000 0.981 328 H CA 0.391 56.438 56.048 -0.000 0.000 1.443 328 H CB 0.388 30.128 29.762 -0.038 0.000 1.479 328 H HN 0.288 nan 8.280 nan 0.000 0.564 329 G N 2.906 111.478 108.800 -0.380 0.000 2.184 329 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.264 329 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.264 329 G C 0.687 175.513 174.900 -0.123 0.000 0.975 329 G CA 0.328 45.242 45.100 -0.311 0.000 0.642 329 G HN 1.038 nan 8.290 nan 0.000 0.536 330 G N -0.435 108.321 108.800 -0.073 0.000 2.539 330 G HA2 0.431 4.391 3.960 -0.000 0.000 0.258 330 G HA3 0.431 4.391 3.960 -0.000 0.000 0.258 330 G C 0.002 174.873 174.900 -0.049 0.000 1.202 330 G CA 0.158 45.228 45.100 -0.051 0.000 0.851 330 G HN 0.494 nan 8.290 nan 0.000 0.556 331 N N 1.100 119.771 118.700 -0.048 0.000 2.482 331 N HA 0.083 4.823 4.740 -0.000 0.000 0.242 331 N C 0.045 175.530 175.510 -0.042 0.000 1.100 331 N CA -0.567 52.465 53.050 -0.030 0.000 0.946 331 N CB 0.089 38.555 38.487 -0.035 0.000 1.227 331 N HN 0.110 nan 8.380 nan 0.000 0.508 332 I N 1.883 122.425 120.570 -0.047 0.000 2.441 332 I HA 0.124 4.294 4.170 -0.000 0.000 0.287 332 I C 0.721 176.771 176.117 -0.111 0.000 1.049 332 I CA -0.490 60.715 61.300 -0.158 0.000 1.381 332 I CB 0.506 38.316 38.000 -0.316 0.000 1.409 332 I HN 0.416 nan 8.210 nan 0.000 0.523 333 K N 6.105 126.453 120.400 -0.086 0.000 2.263 333 K HA 0.211 4.531 4.320 -0.000 0.000 0.272 333 K C -0.939 175.613 176.600 -0.079 0.000 1.033 333 K CA -0.178 56.136 56.287 0.043 0.000 0.884 333 K CB 0.393 33.001 32.500 0.179 0.000 1.107 333 K HN 0.383 nan 8.250 nan 0.000 0.460 334 W N 4.791 126.064 121.300 -0.046 0.000 1.694 334 W HA 0.145 4.805 4.660 -0.000 0.000 0.425 334 W C 0.220 176.631 176.519 -0.179 0.000 0.615 334 W CA -0.485 56.788 57.345 -0.121 0.000 2.237 334 W CB -0.269 29.128 29.460 -0.104 0.000 1.478 334 W HN 0.573 nan 8.180 nan 0.000 0.427 335 S N 0.228 115.840 115.700 -0.148 0.000 2.614 335 S HA 0.275 4.745 4.470 -0.000 0.000 0.265 335 S C -1.274 173.146 174.600 -0.300 0.000 1.303 335 S CA -1.087 56.960 58.200 -0.255 0.000 1.000 335 S CB 1.488 64.354 63.200 -0.557 0.000 0.935 335 S HN 0.021 nan 8.310 nan 0.000 0.551 336 P HA 0.017 nan 4.420 nan 0.000 0.219 336 P C 1.494 178.720 177.300 -0.123 0.000 1.150 336 P CA 1.629 64.642 63.100 -0.145 0.000 0.814 336 P CB -0.387 31.354 31.700 0.068 0.000 0.787 337 A N -0.268 122.444 122.820 -0.180 0.000 1.902 337 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 337 A C 2.274 179.704 177.584 -0.257 0.000 1.181 337 A CA 2.221 54.194 52.037 -0.106 0.000 0.623 337 A CB -1.443 17.422 19.000 -0.225 0.000 0.818 337 A HN 0.101 nan 8.150 nan 0.000 0.443 338 M N -0.415 118.841 119.600 -0.573 0.000 2.108 338 M HA -0.129 4.351 4.480 -0.000 0.000 0.261 338 M C 2.066 178.159 176.300 -0.345 0.000 1.066 338 M CA 1.856 56.900 55.300 -0.427 0.000 1.107 338 M CB -0.619 31.680 32.600 -0.501 0.000 1.356 338 M HN 0.451 nan 8.290 nan 0.000 0.406 339 M N -2.000 117.307 119.600 -0.488 0.000 2.086 339 M HA -0.220 4.260 4.480 -0.000 0.000 0.261 339 M C 2.007 177.848 176.300 -0.764 0.000 1.067 339 M CA 1.954 56.763 55.300 -0.818 0.000 1.116 339 M CB -0.728 30.992 32.600 -1.467 0.000 1.348 339 M HN 0.374 nan 8.290 nan 0.000 0.407 340 W N 0.412 121.446 121.300 -0.445 0.000 2.318 340 W HA -0.225 4.435 4.660 -0.000 0.000 0.313 340 W C 2.741 179.383 176.519 0.206 0.000 1.221 340 W CA 1.498 58.852 57.345 0.015 0.000 1.266 340 W CB -0.602 28.855 29.460 -0.004 0.000 1.150 340 W HN 0.249 nan 8.180 nan 0.000 0.496 341 A N -0.252 122.707 122.820 0.232 0.000 1.930 341 A HA -0.123 4.197 4.320 -0.000 0.000 0.217 341 A C 1.929 179.631 177.584 0.198 0.000 1.175 341 A CA 1.383 53.496 52.037 0.127 0.000 0.627 341 A CB -0.898 18.052 19.000 -0.083 0.000 0.815 341 A HN 0.316 nan 8.150 nan 0.000 0.443 342 L N -0.939 120.363 121.223 0.131 0.000 2.109 342 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 342 L C 2.816 179.913 176.870 0.377 0.000 1.086 342 L CA 0.839 55.786 54.840 0.178 0.000 0.760 342 L CB -0.803 41.290 42.059 0.057 0.000 0.910 342 L HN 0.464 nan 8.230 nan 0.000 0.437 343 G N 0.130 109.247 108.800 0.528 0.000 2.459 343 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.217 343 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.217 343 G C 1.495 176.778 174.900 0.638 0.000 1.183 343 G CA 0.744 46.343 45.100 0.833 0.000 0.776 343 G HN 0.278 nan 8.290 nan 0.000 0.552 344 F N 1.586 121.858 119.950 0.537 0.000 2.063 344 F HA -0.195 4.332 4.527 -0.000 0.000 0.298 344 F C 2.523 178.474 175.800 0.252 0.000 1.109 344 F CA 1.810 59.996 58.000 0.309 0.000 1.212 344 F CB -0.257 38.890 39.000 0.245 0.000 0.973 344 F HN 0.131 nan 8.300 nan 0.000 0.480 345 I N -0.994 119.875 120.570 0.499 0.000 2.208 345 I HA -0.310 3.860 4.170 -0.000 0.000 0.245 345 I C 2.336 178.643 176.117 0.318 0.000 1.097 345 I CA 1.562 63.114 61.300 0.420 0.000 1.363 345 I CB -0.656 37.586 38.000 0.403 0.000 1.051 345 I HN 0.224 nan 8.210 nan 0.000 0.413 346 F N 1.457 121.536 119.950 0.216 0.000 2.146 346 F HA -0.127 4.400 4.527 -0.000 0.000 0.298 346 F C 2.117 177.987 175.800 0.118 0.000 1.096 346 F CA 1.619 59.726 58.000 0.179 0.000 1.275 346 F CB -0.189 38.946 39.000 0.225 0.000 1.008 346 F HN -0.133 nan 8.300 nan 0.000 0.480 347 L N -1.447 119.693 121.223 -0.138 0.000 2.209 347 L HA -0.089 4.251 4.340 -0.000 0.000 0.207 347 L C 2.300 179.027 176.870 -0.238 0.000 1.094 347 L CA 0.681 55.365 54.840 -0.260 0.000 0.790 347 L CB -0.795 41.091 42.059 -0.290 0.000 0.932 347 L HN 0.171 nan 8.230 nan 0.000 0.447 348 F N 1.056 120.754 119.950 -0.419 0.000 2.171 348 F HA -0.230 4.297 4.527 -0.000 0.000 0.300 348 F C 2.391 178.071 175.800 -0.201 0.000 1.090 348 F CA 1.832 59.593 58.000 -0.398 0.000 1.293 348 F CB -0.225 38.323 39.000 -0.754 0.000 1.013 348 F HN -0.078 nan 8.300 nan 0.000 0.486 349 T N 0.287 114.716 114.554 -0.209 0.000 2.684 349 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 349 T C 2.134 176.628 174.700 -0.342 0.000 1.036 349 T CA 1.806 63.771 62.100 -0.225 0.000 1.148 349 T CB -0.708 68.121 68.868 -0.064 0.000 0.863 349 T HN 0.132 nan 8.240 nan 0.000 0.436 350 V N 1.380 121.031 119.914 -0.438 0.000 2.255 350 V HA -0.168 3.952 4.120 -0.000 0.000 0.247 350 V C 2.879 178.746 176.094 -0.378 0.000 1.051 350 V CA 2.154 64.182 62.300 -0.452 0.000 1.018 350 V CB -1.426 30.030 31.823 -0.612 0.000 0.641 350 V HN 0.619 nan 8.190 nan 0.000 0.445 351 G N -0.265 108.336 108.800 -0.331 0.000 2.418 351 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.217 351 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.217 351 G C 1.608 176.407 174.900 -0.168 0.000 1.158 351 G CA 0.971 45.938 45.100 -0.221 0.000 0.771 351 G HN 0.616 nan 8.290 nan 0.000 0.545 352 G N 0.659 109.204 108.800 -0.425 0.000 2.408 352 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.217 352 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.217 352 G C 1.784 176.596 174.900 -0.148 0.000 1.150 352 G CA 0.605 45.519 45.100 -0.311 0.000 0.776 352 G HN 0.429 nan 8.290 nan 0.000 0.542 353 L N 1.147 122.270 121.223 -0.167 0.000 2.156 353 L HA -0.036 4.304 4.340 -0.000 0.000 0.208 353 L C 3.268 180.088 176.870 -0.085 0.000 1.095 353 L CA 1.595 56.369 54.840 -0.110 0.000 0.770 353 L CB -0.620 41.371 42.059 -0.113 0.000 0.914 353 L HN 0.386 nan 8.230 nan 0.000 0.439 354 T N -3.579 110.923 114.554 -0.085 0.000 2.995 354 T HA -0.051 4.299 4.350 -0.000 0.000 0.269 354 T C 1.954 176.579 174.700 -0.124 0.000 1.091 354 T CA 0.771 62.862 62.100 -0.016 0.000 1.128 354 T CB -0.642 68.165 68.868 -0.102 0.000 0.891 354 T HN 0.365 nan 8.240 nan 0.000 0.492 355 G N 2.037 110.653 108.800 -0.307 0.000 2.440 355 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.218 355 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.218 355 G C 1.471 176.204 174.900 -0.278 0.000 1.154 355 G CA 0.724 45.459 45.100 -0.608 0.000 0.767 355 G HN 0.474 nan 8.290 nan 0.000 0.552 356 I N 0.844 121.331 120.570 -0.140 0.000 2.394 356 I HA -0.085 4.085 4.170 -0.000 0.000 0.251 356 I C 2.908 178.976 176.117 -0.082 0.000 1.136 356 I CA 0.591 61.838 61.300 -0.089 0.000 1.425 356 I CB -0.833 37.137 38.000 -0.049 0.000 1.079 356 I HN 0.033 nan 8.210 nan 0.000 0.425 357 V N 1.212 121.089 119.914 -0.062 0.000 2.287 357 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 357 V C 2.498 178.539 176.094 -0.089 0.000 1.053 357 V CA 1.658 63.927 62.300 -0.052 0.000 1.027 357 V CB -0.539 31.297 31.823 0.022 0.000 0.646 357 V HN 0.336 nan 8.190 nan 0.000 0.447 358 L N -0.015 121.153 121.223 -0.092 0.000 2.376 358 L HA -0.016 4.324 4.340 -0.000 0.000 0.219 358 L C 2.486 179.320 176.870 -0.060 0.000 1.133 358 L CA 0.933 55.717 54.840 -0.094 0.000 0.816 358 L CB -0.616 41.356 42.059 -0.145 0.000 0.933 358 L HN 0.343 nan 8.230 nan 0.000 0.449 359 A N -0.731 122.036 122.820 -0.088 0.000 2.121 359 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 359 A C 0.898 178.501 177.584 0.032 0.000 1.154 359 A CA 0.554 52.600 52.037 0.014 0.000 0.679 359 A CB -0.421 18.553 19.000 -0.042 0.000 0.795 359 A HN 0.348 nan 8.150 nan 0.000 0.458 360 N N 0.975 119.628 118.700 -0.077 0.000 2.402 360 N HA 0.083 4.823 4.740 -0.000 0.000 0.252 360 N C 1.194 176.526 175.510 -0.298 0.000 1.118 360 N CA 0.713 53.664 53.050 -0.164 0.000 0.945 360 N CB 1.266 39.675 38.487 -0.130 0.000 1.147 360 N HN 0.486 nan 8.380 nan 0.000 0.495 361 S N 1.063 116.394 115.700 -0.615 0.000 2.423 361 S HA -0.114 4.356 4.470 -0.000 0.000 0.231 361 S C 1.841 176.166 174.600 -0.458 0.000 1.014 361 S CA 0.829 58.433 58.200 -0.993 0.000 0.965 361 S CB 0.057 62.205 63.200 -1.753 0.000 0.785 361 S HN 0.368 nan 8.310 nan 0.000 0.495 362 S N 1.778 117.293 115.700 -0.309 0.000 2.353 362 S HA 0.071 4.541 4.470 -0.000 0.000 0.222 362 S C 1.747 176.260 174.600 -0.145 0.000 1.035 362 S CA 1.531 59.621 58.200 -0.184 0.000 1.025 362 S CB -0.540 62.574 63.200 -0.144 0.000 0.902 362 S HN 0.503 nan 8.310 nan 0.000 0.440 363 L N 0.788 121.921 121.223 -0.149 0.000 2.179 363 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 363 L C 2.177 178.976 176.870 -0.119 0.000 1.096 363 L CA 1.070 55.829 54.840 -0.134 0.000 0.779 363 L CB -0.412 41.553 42.059 -0.156 0.000 0.922 363 L HN 0.285 nan 8.230 nan 0.000 0.443 364 D N 0.216 120.553 120.400 -0.105 0.000 2.221 364 D HA -0.212 4.428 4.640 -0.000 0.000 0.204 364 D C 2.115 178.439 176.300 0.039 0.000 0.982 364 D CA 0.860 54.857 54.000 -0.004 0.000 0.857 364 D CB 0.208 41.093 40.800 0.141 0.000 0.934 364 D HN 0.078 nan 8.370 nan 0.000 0.475 365 I N 0.248 120.809 120.570 -0.014 0.000 2.194 365 I HA -0.208 3.962 4.170 -0.000 0.000 0.246 365 I C 2.276 178.419 176.117 0.043 0.000 1.093 365 I CA 0.822 62.135 61.300 0.021 0.000 1.355 365 I CB -1.078 36.911 38.000 -0.018 0.000 1.046 365 I HN 0.078 nan 8.210 nan 0.000 0.413 366 V N 0.194 120.107 119.914 -0.002 0.000 2.788 366 V HA -0.074 4.046 4.120 -0.000 0.000 0.251 366 V C 2.241 178.330 176.094 -0.008 0.000 1.068 366 V CA 0.877 63.173 62.300 -0.005 0.000 1.090 366 V CB -0.087 31.716 31.823 -0.034 0.000 0.710 366 V HN 0.311 nan 8.190 nan 0.000 0.467 367 L N -1.369 119.839 121.223 -0.024 0.000 2.463 367 L HA 0.210 4.550 4.340 -0.000 0.000 0.219 367 L C 1.197 178.093 176.870 0.044 0.000 1.088 367 L CA -0.062 54.751 54.840 -0.044 0.000 0.849 367 L CB -0.267 41.677 42.059 -0.193 0.000 1.012 367 L HN 0.371 nan 8.230 nan 0.000 0.468 368 H N 1.175 120.249 119.070 0.007 0.000 2.972 368 H HA -0.103 4.453 4.556 -0.000 0.000 0.343 368 H C 0.433 175.780 175.328 0.032 0.000 1.054 368 H CA 0.697 56.765 56.048 0.034 0.000 1.412 368 H CB 0.212 30.003 29.762 0.048 0.000 1.385 368 H HN 0.113 nan 8.280 nan 0.000 0.600 369 D N 2.064 122.019 120.400 -0.742 0.000 2.911 369 D HA -0.203 4.437 4.640 -0.000 0.000 0.227 369 D C -0.372 175.792 176.300 -0.227 0.000 1.164 369 D CA 1.428 55.135 54.000 -0.487 0.000 0.782 369 D CB -0.881 39.674 40.800 -0.408 0.000 1.094 369 D HN 0.761 nan 8.370 nan 0.000 0.425 370 T N -4.233 110.232 114.554 -0.148 0.000 2.910 370 T HA 0.429 4.779 4.350 -0.000 0.000 0.287 370 T C 1.000 175.651 174.700 -0.081 0.000 1.050 370 T CA -0.737 61.313 62.100 -0.084 0.000 1.011 370 T CB 0.883 69.749 68.868 -0.004 0.000 1.195 370 T HN -0.055 nan 8.240 nan 0.000 0.540 371 Y N -0.646 119.601 120.300 -0.088 0.000 2.639 371 Y HA 0.042 4.592 4.550 -0.000 0.000 0.297 371 Y C 1.934 177.768 175.900 -0.110 0.000 1.151 371 Y CA 0.693 58.731 58.100 -0.102 0.000 1.335 371 Y CB -0.436 37.936 38.460 -0.147 0.000 0.994 371 Y HN 0.812 nan 8.280 nan 0.000 0.548 372 Y N -1.083 119.179 120.300 -0.063 0.000 2.293 372 Y HA -0.213 4.337 4.550 -0.000 0.000 0.291 372 Y C 2.104 177.949 175.900 -0.091 0.000 1.137 372 Y CA 1.292 59.334 58.100 -0.095 0.000 1.202 372 Y CB -0.145 38.287 38.460 -0.047 0.000 0.990 372 Y HN -0.094 nan 8.280 nan 0.000 0.537 373 V N -1.450 118.528 119.914 0.107 0.000 2.453 373 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 373 V C 2.198 178.261 176.094 -0.051 0.000 1.048 373 V CA 1.478 63.867 62.300 0.149 0.000 1.049 373 V CB -0.582 31.354 31.823 0.187 0.000 0.672 373 V HN 0.258 nan 8.190 nan 0.000 0.457 374 V N 0.632 120.372 119.914 -0.289 0.000 2.343 374 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 374 V C 2.715 178.386 176.094 -0.704 0.000 1.051 374 V CA 2.074 63.894 62.300 -0.801 0.000 1.036 374 V CB -1.149 30.318 31.823 -0.592 0.000 0.654 374 V HN 0.553 nan 8.190 nan 0.000 0.451 375 A N -0.254 122.291 122.820 -0.459 0.000 1.898 375 A HA -0.270 4.050 4.320 -0.000 0.000 0.216 375 A C 2.099 179.437 177.584 -0.411 0.000 1.181 375 A CA 2.117 53.846 52.037 -0.513 0.000 0.620 375 A CB -0.825 17.512 19.000 -1.104 0.000 0.819 375 A HN 0.768 nan 8.150 nan 0.000 0.442 376 H N 0.460 119.260 119.070 -0.450 0.000 2.252 376 H HA -0.255 4.301 4.556 -0.000 0.000 0.292 376 H C 1.644 176.868 175.328 -0.174 0.000 1.082 376 H CA 2.718 58.613 56.048 -0.255 0.000 1.229 376 H CB -0.832 28.857 29.762 -0.122 0.000 1.353 376 H HN 0.606 nan 8.280 nan 0.000 0.488 377 F N -1.559 118.070 119.950 -0.534 0.000 2.456 377 F HA 0.117 4.644 4.527 -0.000 0.000 0.298 377 F C 1.946 177.375 175.800 -0.619 0.000 1.104 377 F CA 0.714 58.301 58.000 -0.689 0.000 1.435 377 F CB -0.761 37.949 39.000 -0.485 0.000 1.078 377 F HN 0.176 nan 8.300 nan 0.000 0.546 378 H N -1.448 117.127 119.070 -0.826 0.000 2.495 378 H HA -0.029 4.527 4.556 -0.000 0.000 0.287 378 H C 1.369 176.227 175.328 -0.783 0.000 1.033 378 H CA 1.883 57.365 56.048 -0.943 0.000 1.307 378 H CB -0.344 28.281 29.762 -1.894 0.000 1.401 378 H HN 0.284 nan 8.280 nan 0.000 0.555 379 Y N -0.022 119.971 120.300 -0.511 0.000 2.220 379 Y HA -0.199 4.351 4.550 -0.000 0.000 0.291 379 Y C 2.560 178.242 175.900 -0.364 0.000 1.129 379 Y CA 1.264 59.129 58.100 -0.392 0.000 1.161 379 Y CB -0.342 37.921 38.460 -0.329 0.000 0.997 379 Y HN 0.137 nan 8.280 nan 0.000 0.522 380 V N -2.193 117.566 119.914 -0.258 0.000 2.515 380 V HA -0.199 3.921 4.120 -0.000 0.000 0.250 380 V C 1.824 177.852 176.094 -0.110 0.000 1.058 380 V CA 1.614 63.811 62.300 -0.170 0.000 1.064 380 V CB -0.880 30.827 31.823 -0.194 0.000 0.675 380 V HN 0.353 nan 8.190 nan 0.000 0.461 381 L N 0.033 121.136 121.223 -0.201 0.000 2.200 381 L HA 0.102 4.442 4.340 -0.000 0.000 0.200 381 L C 2.749 179.559 176.870 -0.100 0.000 1.072 381 L CA 1.452 56.196 54.840 -0.160 0.000 0.787 381 L CB -0.453 41.464 42.059 -0.236 0.000 0.957 381 L HN 0.335 nan 8.230 nan 0.000 0.459 382 S N -0.994 114.601 115.700 -0.175 0.000 2.496 382 S HA 0.072 4.542 4.470 -0.000 0.000 0.224 382 S C 1.730 176.336 174.600 0.011 0.000 0.996 382 S CA 0.695 58.864 58.200 -0.051 0.000 0.927 382 S CB 0.131 63.290 63.200 -0.068 0.000 0.774 382 S HN 0.238 nan 8.310 nan 0.000 0.524 383 M N -0.648 118.843 119.600 -0.182 0.000 2.838 383 M HA 0.281 4.761 4.480 -0.000 0.000 0.251 383 M C 2.249 178.461 176.300 -0.147 0.000 1.393 383 M CA 0.666 55.723 55.300 -0.405 0.000 1.196 383 M CB -0.521 31.614 32.600 -0.775 0.000 1.276 383 M HN 0.321 nan 8.290 nan 0.000 0.541 384 G N 0.784 109.532 108.800 -0.086 0.000 2.666 384 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 384 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 384 G C 1.562 176.731 174.900 0.448 0.000 1.294 384 G CA 1.233 46.392 45.100 0.099 0.000 0.811 384 G HN 0.464 nan 8.290 nan 0.000 0.594 385 A N -0.436 122.534 122.820 0.250 0.000 1.883 385 A HA 0.016 4.336 4.320 -0.000 0.000 0.217 385 A C 2.639 180.355 177.584 0.220 0.000 1.186 385 A CA 2.245 54.401 52.037 0.199 0.000 0.624 385 A CB -0.843 18.187 19.000 0.049 0.000 0.822 385 A HN 0.339 nan 8.150 nan 0.000 0.444 386 V N -1.438 118.618 119.914 0.237 0.000 2.343 386 V HA -0.236 3.884 4.120 -0.000 0.000 0.247 386 V C 2.299 178.561 176.094 0.279 0.000 1.051 386 V CA 1.978 64.415 62.300 0.229 0.000 1.036 386 V CB -0.874 31.100 31.823 0.252 0.000 0.654 386 V HN 0.616 nan 8.190 nan 0.000 0.451 387 F N 0.093 120.181 119.950 0.230 0.000 2.259 387 F HA -0.074 4.453 4.527 -0.000 0.000 0.298 387 F C 2.378 178.315 175.800 0.228 0.000 1.088 387 F CA 0.840 59.067 58.000 0.380 0.000 1.358 387 F CB -0.238 39.166 39.000 0.674 0.000 1.040 387 F HN 0.132 nan 8.300 nan 0.000 0.505 388 A N 0.235 123.274 122.820 0.365 0.000 1.930 388 A HA -0.079 4.241 4.320 -0.000 0.000 0.215 388 A C 2.080 179.635 177.584 -0.048 0.000 1.176 388 A CA 0.980 53.034 52.037 0.029 0.000 0.632 388 A CB -0.846 18.087 19.000 -0.113 0.000 0.819 388 A HN 0.362 nan 8.150 nan 0.000 0.445 389 I N -0.639 119.943 120.570 0.020 0.000 2.208 389 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 389 I C 2.520 178.637 176.117 -0.000 0.000 1.097 389 I CA 1.203 62.541 61.300 0.062 0.000 1.363 389 I CB -0.182 37.900 38.000 0.138 0.000 1.051 389 I HN 0.261 nan 8.210 nan 0.000 0.413 390 M N 0.006 119.429 119.600 -0.295 0.000 2.200 390 M HA -0.019 4.461 4.480 -0.000 0.000 0.265 390 M C 2.383 178.326 176.300 -0.595 0.000 1.066 390 M CA 1.462 56.362 55.300 -0.666 0.000 1.127 390 M CB -1.880 29.586 32.600 -1.890 0.000 1.379 390 M HN 0.277 nan 8.290 nan 0.000 0.420 391 G N 0.149 108.701 108.800 -0.412 0.000 2.514 391 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.217 391 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.217 391 G C 1.566 176.424 174.900 -0.070 0.000 1.198 391 G CA 1.214 46.268 45.100 -0.077 0.000 0.780 391 G HN 0.537 nan 8.290 nan 0.000 0.565 392 G N -0.100 108.640 108.800 -0.100 0.000 2.408 392 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.217 392 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.217 392 G C 1.636 176.727 174.900 0.318 0.000 1.150 392 G CA 0.937 45.998 45.100 -0.064 0.000 0.776 392 G HN 0.378 nan 8.290 nan 0.000 0.542 393 F N 1.681 121.797 119.950 0.275 0.000 2.187 393 F HA -0.007 4.520 4.527 -0.000 0.000 0.295 393 F C 2.624 178.562 175.800 0.229 0.000 1.091 393 F CA 1.419 59.702 58.000 0.471 0.000 1.308 393 F CB -0.271 38.919 39.000 0.317 0.000 1.030 393 F HN 0.053 nan 8.300 nan 0.000 0.487 394 V N -1.148 118.869 119.914 0.172 0.000 2.548 394 V HA -0.198 3.922 4.120 -0.000 0.000 0.249 394 V C 2.379 178.480 176.094 0.012 0.000 1.055 394 V CA 2.409 64.745 62.300 0.060 0.000 1.065 394 V CB -1.296 30.636 31.823 0.181 0.000 0.681 394 V HN 0.511 nan 8.190 nan 0.000 0.462 395 H N -1.084 117.909 119.070 -0.129 0.000 2.395 395 H HA -0.050 4.506 4.556 -0.000 0.000 0.299 395 H C 1.778 176.954 175.328 -0.254 0.000 1.070 395 H CA 2.212 58.111 56.048 -0.247 0.000 1.356 395 H CB -0.143 29.295 29.762 -0.540 0.000 1.401 395 H HN 0.567 nan 8.280 nan 0.000 0.524 396 W N -0.597 120.498 121.300 -0.343 0.000 3.211 396 W HA 0.066 4.726 4.660 -0.000 0.000 0.292 396 W C 1.426 177.200 176.519 -1.242 0.000 1.268 396 W CA -0.324 56.460 57.345 -0.934 0.000 1.702 396 W CB -0.719 28.057 29.460 -1.141 0.000 1.092 396 W HN 0.202 nan 8.180 nan 0.000 0.643 397 F N 2.869 122.359 119.950 -0.766 0.000 2.161 397 F HA -0.135 4.392 4.527 -0.000 0.000 0.300 397 F C -0.836 174.655 175.800 -0.515 0.000 1.089 397 F CA 1.560 59.081 58.000 -0.798 0.000 1.282 397 F CB -1.348 37.122 39.000 -0.884 0.000 1.010 397 F HN -0.256 nan 8.300 nan 0.000 0.485 398 P HA -0.149 nan 4.420 nan 0.000 0.220 398 P C 1.714 178.836 177.300 -0.297 0.000 1.148 398 P CA 1.073 64.050 63.100 -0.205 0.000 0.803 398 P CB -0.061 31.691 31.700 0.086 0.000 0.782 399 L N -1.733 119.170 121.223 -0.533 0.000 2.068 399 L HA -0.007 4.333 4.340 -0.000 0.000 0.204 399 L C 1.897 178.434 176.870 -0.555 0.000 1.076 399 L CA 1.951 56.379 54.840 -0.687 0.000 0.753 399 L CB -1.306 39.935 42.059 -1.363 0.000 0.910 399 L HN -0.173 nan 8.230 nan 0.000 0.439 400 F N -0.179 119.230 119.950 -0.903 0.000 2.259 400 F HA -0.037 4.490 4.527 -0.000 0.000 0.298 400 F C 2.722 178.142 175.800 -0.634 0.000 1.088 400 F CA 0.955 58.259 58.000 -1.161 0.000 1.358 400 F CB -1.543 36.715 39.000 -1.237 0.000 1.040 400 F HN 0.389 nan 8.300 nan 0.000 0.505 401 S N -1.748 113.616 115.700 -0.559 0.000 2.499 401 S HA 0.422 4.892 4.470 -0.000 0.000 0.225 401 S C 1.850 176.125 174.600 -0.542 0.000 1.050 401 S CA 0.464 58.360 58.200 -0.508 0.000 0.928 401 S CB 0.284 62.885 63.200 -0.998 0.000 0.803 401 S HN 0.484 nan 8.310 nan 0.000 0.506 402 G N 0.221 108.712 108.800 -0.515 0.000 2.157 402 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.248 402 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.248 402 G C -0.263 174.340 174.900 -0.495 0.000 0.979 402 G CA 0.428 45.249 45.100 -0.465 0.000 0.650 402 G HN 0.544 nan 8.290 nan 0.000 0.529 403 Y N 0.596 120.758 120.300 -0.230 0.000 2.524 403 Y HA 0.684 5.234 4.550 -0.000 0.000 0.344 403 Y C 0.858 176.745 175.900 -0.021 0.000 1.012 403 Y CA -0.596 57.434 58.100 -0.115 0.000 1.068 403 Y CB 1.649 40.033 38.460 -0.126 0.000 1.249 403 Y HN 0.307 nan 8.280 nan 0.000 0.468 404 T N 0.077 114.753 114.554 0.205 0.000 2.907 404 T HA 0.701 5.051 4.350 -0.000 0.000 0.284 404 T C -0.268 174.507 174.700 0.125 0.000 1.004 404 T CA -0.831 61.361 62.100 0.153 0.000 1.063 404 T CB 0.646 69.568 68.868 0.090 0.000 0.992 404 T HN 0.502 nan 8.240 nan 0.000 0.483 405 L N 2.192 123.460 121.223 0.076 0.000 2.456 405 L HA 0.368 4.708 4.340 -0.000 0.000 0.257 405 L C 1.146 178.032 176.870 0.027 0.000 1.162 405 L CA -1.017 53.805 54.840 -0.029 0.000 0.808 405 L CB 0.404 42.426 42.059 -0.061 0.000 1.136 405 L HN 0.733 nan 8.230 nan 0.000 0.466 406 N N 0.751 119.481 118.700 0.051 0.000 2.408 406 N HA -0.008 4.732 4.740 -0.000 0.000 0.257 406 N C 0.023 175.627 175.510 0.156 0.000 1.064 406 N CA -0.126 53.005 53.050 0.136 0.000 0.952 406 N CB 1.282 39.936 38.487 0.278 0.000 1.093 406 N HN 0.514 nan 8.380 nan 0.000 0.490 407 D N 2.242 122.704 120.400 0.103 0.000 2.178 407 D HA -0.089 4.551 4.640 -0.000 0.000 0.201 407 D C 1.210 177.571 176.300 0.103 0.000 0.980 407 D CA 1.457 55.514 54.000 0.095 0.000 0.842 407 D CB 0.226 41.060 40.800 0.056 0.000 0.948 407 D HN 0.570 nan 8.370 nan 0.000 0.472 408 T N -0.915 113.679 114.554 0.066 0.000 2.777 408 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 408 T C 1.689 176.432 174.700 0.070 0.000 1.040 408 T CA 0.842 62.944 62.100 0.004 0.000 1.141 408 T CB -0.436 68.363 68.868 -0.115 0.000 0.868 408 T HN 0.336 nan 8.240 nan 0.000 0.444 409 W N 1.215 122.578 121.300 0.104 0.000 2.402 409 W HA 0.089 4.749 4.660 -0.000 0.000 0.286 409 W C 2.756 179.387 176.519 0.187 0.000 1.221 409 W CA 0.383 57.821 57.345 0.154 0.000 1.257 409 W CB -0.190 29.367 29.460 0.162 0.000 1.120 409 W HN 0.207 nan 8.180 nan 0.000 0.551 410 A N 0.464 123.526 122.820 0.403 0.000 1.930 410 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 410 A C 1.814 179.606 177.584 0.346 0.000 1.175 410 A CA 1.622 53.892 52.037 0.387 0.000 0.627 410 A CB -0.498 18.674 19.000 0.287 0.000 0.815 410 A HN 0.287 nan 8.150 nan 0.000 0.443 411 K N -0.485 120.043 120.400 0.213 0.000 2.103 411 K HA 0.067 4.387 4.320 -0.000 0.000 0.204 411 K C 1.664 178.374 176.600 0.183 0.000 1.052 411 K CA 1.230 57.598 56.287 0.135 0.000 0.945 411 K CB -0.273 32.255 32.500 0.047 0.000 0.722 411 K HN 0.495 nan 8.250 nan 0.000 0.443 412 I N 0.659 121.356 120.570 0.212 0.000 2.315 412 I HA -0.296 3.874 4.170 -0.000 0.000 0.248 412 I C 2.631 178.915 176.117 0.278 0.000 1.117 412 I CA 1.189 62.615 61.300 0.210 0.000 1.404 412 I CB -0.375 37.780 38.000 0.259 0.000 1.071 412 I HN 0.332 nan 8.210 nan 0.000 0.419 413 H N 0.837 120.080 119.070 0.288 0.000 2.290 413 H HA -0.297 4.259 4.556 -0.000 0.000 0.298 413 H C 2.328 177.779 175.328 0.205 0.000 1.087 413 H CA 2.380 58.604 56.048 0.293 0.000 1.291 413 H CB -0.210 29.778 29.762 0.377 0.000 1.369 413 H HN 0.333 nan 8.280 nan 0.000 0.492 414 F N 1.548 121.353 119.950 -0.242 0.000 2.095 414 F HA -0.206 4.321 4.527 -0.000 0.000 0.298 414 F C 2.645 178.203 175.800 -0.403 0.000 1.104 414 F CA 1.878 59.387 58.000 -0.818 0.000 1.232 414 F CB -0.858 37.480 39.000 -1.104 0.000 0.987 414 F HN 0.237 nan 8.300 nan 0.000 0.475 415 A N 0.952 123.603 122.820 -0.282 0.000 1.883 415 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 415 A C 2.321 179.816 177.584 -0.149 0.000 1.186 415 A CA 2.196 54.087 52.037 -0.242 0.000 0.624 415 A CB -1.329 17.657 19.000 -0.023 0.000 0.822 415 A HN 0.551 nan 8.150 nan 0.000 0.444 416 I N -1.554 118.986 120.570 -0.051 0.000 2.179 416 I HA -0.280 3.890 4.170 -0.000 0.000 0.242 416 I C 2.654 178.769 176.117 -0.003 0.000 1.088 416 I CA 1.943 63.255 61.300 0.020 0.000 1.357 416 I CB -0.282 37.780 38.000 0.103 0.000 1.051 416 I HN 0.423 nan 8.210 nan 0.000 0.409 417 M N 0.525 120.086 119.600 -0.065 0.000 2.108 417 M HA -0.266 4.214 4.480 -0.000 0.000 0.261 417 M C 2.083 178.404 176.300 0.034 0.000 1.066 417 M CA 1.936 57.235 55.300 -0.001 0.000 1.107 417 M CB -0.621 31.971 32.600 -0.014 0.000 1.356 417 M HN 0.201 nan 8.290 nan 0.000 0.406 418 F N -0.607 119.170 119.950 -0.289 0.000 2.146 418 F HA -0.143 4.384 4.527 -0.000 0.000 0.298 418 F C 1.816 177.587 175.800 -0.049 0.000 1.096 418 F CA 1.607 59.516 58.000 -0.152 0.000 1.275 418 F CB -0.294 38.387 39.000 -0.531 0.000 1.008 418 F HN -0.033 nan 8.300 nan 0.000 0.480 419 V N 0.065 120.052 119.914 0.121 0.000 2.358 419 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 419 V C 2.692 178.786 176.094 -0.000 0.000 1.047 419 V CA 1.842 64.183 62.300 0.070 0.000 1.035 419 V CB -1.496 30.375 31.823 0.079 0.000 0.658 419 V HN 0.526 nan 8.190 nan 0.000 0.452 420 G N 0.598 109.408 108.800 0.016 0.000 2.404 420 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.215 420 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.215 420 G C 1.743 176.621 174.900 -0.036 0.000 1.174 420 G CA 1.457 46.563 45.100 0.010 0.000 0.780 420 G HN 0.552 nan 8.290 nan 0.000 0.537 421 V N -0.739 119.171 119.914 -0.007 0.000 2.427 421 V HA -0.110 4.010 4.120 -0.000 0.000 0.248 421 V C 2.227 178.268 176.094 -0.088 0.000 1.051 421 V CA 1.956 64.266 62.300 0.017 0.000 1.048 421 V CB -0.619 31.273 31.823 0.116 0.000 0.666 421 V HN 0.226 nan 8.190 nan 0.000 0.456 422 N N 0.272 118.871 118.700 -0.169 0.000 2.142 422 N HA -0.110 4.630 4.740 -0.000 0.000 0.186 422 N C 1.861 177.378 175.510 0.012 0.000 1.023 422 N CA 2.121 55.116 53.050 -0.091 0.000 0.852 422 N CB -0.284 38.090 38.487 -0.188 0.000 0.998 422 N HN 0.580 nan 8.380 nan 0.000 0.424 423 M N 0.827 120.408 119.600 -0.031 0.000 2.159 423 M HA -0.135 4.345 4.480 -0.000 0.000 0.263 423 M C 1.601 177.852 176.300 -0.082 0.000 1.063 423 M CA 1.323 56.617 55.300 -0.009 0.000 1.110 423 M CB -0.069 32.530 32.600 -0.003 0.000 1.374 423 M HN 0.011 nan 8.290 nan 0.000 0.411 424 T N -0.204 114.210 114.554 -0.234 0.000 2.770 424 T HA -0.052 4.298 4.350 -0.000 0.000 0.263 424 T C 1.173 175.505 174.700 -0.613 0.000 1.039 424 T CA 1.461 63.245 62.100 -0.526 0.000 1.142 424 T CB -0.250 68.049 68.868 -0.949 0.000 0.868 424 T HN 0.413 nan 8.240 nan 0.000 0.435 425 F N -0.796 119.091 119.950 -0.105 0.000 2.622 425 F HA 0.330 4.857 4.527 -0.000 0.000 0.288 425 F C 1.758 177.540 175.800 -0.030 0.000 1.120 425 F CA -0.544 57.377 58.000 -0.132 0.000 1.423 425 F CB -0.179 38.677 39.000 -0.240 0.000 1.127 425 F HN 0.010 nan 8.300 nan 0.000 0.588 426 F N 3.034 123.061 119.950 0.129 0.000 2.091 426 F HA -0.126 4.401 4.527 -0.000 0.000 0.299 426 F C -0.808 174.796 175.800 -0.328 0.000 1.103 426 F CA 1.464 59.502 58.000 0.063 0.000 1.228 426 F CB -1.572 37.439 39.000 0.019 0.000 0.984 426 F HN -0.163 nan 8.300 nan 0.000 0.477 427 P HA -0.141 nan 4.420 nan 0.000 0.230 427 P C 1.021 177.963 177.300 -0.596 0.000 1.158 427 P CA 1.333 64.047 63.100 -0.643 0.000 0.769 427 P CB -0.248 31.399 31.700 -0.087 0.000 0.807 428 Q N -1.385 118.154 119.800 -0.436 0.000 2.291 428 Q HA -0.165 4.175 4.340 -0.000 0.000 0.205 428 Q C 1.727 177.462 176.000 -0.442 0.000 0.970 428 Q CA 1.025 56.635 55.803 -0.320 0.000 0.876 428 Q CB -0.637 28.033 28.738 -0.113 0.000 0.935 428 Q HN 0.516 nan 8.270 nan 0.000 0.455 429 H N -0.748 117.921 119.070 -0.670 0.000 2.353 429 H HA -0.139 4.417 4.556 -0.000 0.000 0.300 429 H C 1.410 176.559 175.328 -0.298 0.000 1.090 429 H CA 1.550 57.226 56.048 -0.620 0.000 1.327 429 H CB -0.007 29.156 29.762 -0.997 0.000 1.383 429 H HN 0.197 nan 8.280 nan 0.000 0.508 430 F N 0.270 120.056 119.950 -0.273 0.000 2.146 430 F HA -0.089 4.438 4.527 -0.000 0.000 0.298 430 F C 2.209 177.984 175.800 -0.041 0.000 1.096 430 F CA 0.744 58.596 58.000 -0.247 0.000 1.275 430 F CB -1.004 37.568 39.000 -0.714 0.000 1.008 430 F HN 0.081 nan 8.300 nan 0.000 0.480 431 L N -0.318 120.980 121.223 0.125 0.000 2.079 431 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 431 L C 2.703 179.621 176.870 0.080 0.000 1.081 431 L CA 1.450 56.363 54.840 0.122 0.000 0.752 431 L CB -1.405 40.601 42.059 -0.087 0.000 0.896 431 L HN 0.282 nan 8.230 nan 0.000 0.433 432 G N 0.024 108.894 108.800 0.117 0.000 2.404 432 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.214 432 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.214 432 G C 1.614 176.614 174.900 0.166 0.000 1.189 432 G CA 0.336 45.536 45.100 0.168 0.000 0.789 432 G HN 0.199 nan 8.290 nan 0.000 0.533 433 L N 1.605 122.961 121.223 0.222 0.000 2.079 433 L HA -0.119 4.221 4.340 -0.000 0.000 0.210 433 L C 2.989 179.941 176.870 0.137 0.000 1.081 433 L CA 1.611 56.531 54.840 0.133 0.000 0.752 433 L CB -0.368 41.788 42.059 0.162 0.000 0.896 433 L HN 0.429 nan 8.230 nan 0.000 0.433 434 S N -0.860 114.969 115.700 0.215 0.000 2.650 434 S HA 0.205 4.675 4.470 -0.000 0.000 0.219 434 S C 1.349 176.148 174.600 0.332 0.000 0.960 434 S CA 0.275 58.638 58.200 0.272 0.000 0.925 434 S CB 0.359 63.785 63.200 0.376 0.000 0.775 434 S HN 0.572 nan 8.310 nan 0.000 0.525 435 G N 1.178 110.092 108.800 0.191 0.000 2.131 435 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.223 435 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.223 435 G C -0.133 174.729 174.900 -0.064 0.000 0.990 435 G CA 0.049 45.213 45.100 0.108 0.000 0.671 435 G HN 0.598 nan 8.290 nan 0.000 0.521 436 M N 1.433 120.808 119.600 -0.376 0.000 2.217 436 M HA 0.376 4.856 4.480 -0.000 0.000 0.352 436 M C -2.044 174.069 176.300 -0.312 0.000 1.376 436 M CA -1.366 53.503 55.300 -0.717 0.000 1.107 436 M CB 0.666 32.680 32.600 -0.977 0.000 1.723 436 M HN -0.008 nan 8.290 nan 0.000 0.461 437 P HA 0.144 nan 4.420 nan 0.000 0.274 437 P C -1.308 175.840 177.300 -0.253 0.000 1.237 437 P CA -0.262 62.545 63.100 -0.487 0.000 0.793 437 P CB 0.439 31.477 31.700 -1.104 0.000 0.977 438 R N 1.343 121.720 120.500 -0.205 0.000 2.541 438 R HA 0.499 4.839 4.340 -0.000 0.000 0.263 438 R C -0.104 176.240 176.300 0.074 0.000 1.112 438 R CA -0.713 55.273 56.100 -0.189 0.000 1.170 438 R CB 0.214 30.311 30.300 -0.338 0.000 1.167 438 R HN 0.301 nan 8.270 nan 0.000 0.582 439 R N -1.342 119.292 120.500 0.223 0.000 3.770 439 R HA -0.214 4.126 4.340 -0.000 0.000 0.305 439 R C -1.137 175.512 176.300 0.582 0.000 1.184 439 R CA 1.019 57.346 56.100 0.379 0.000 0.823 439 R CB -2.102 28.344 30.300 0.243 0.000 1.285 439 R HN 0.609 nan 8.270 nan 0.000 0.499 440 Y N -0.647 119.804 120.300 0.252 0.000 2.342 440 Y HA 0.133 4.683 4.550 -0.000 0.000 0.334 440 Y C 1.656 177.466 175.900 -0.149 0.000 1.067 440 Y CA -0.135 58.027 58.100 0.103 0.000 1.128 440 Y CB 1.613 40.149 38.460 0.127 0.000 1.200 440 Y HN 0.155 nan 8.280 nan 0.000 0.464 441 S N 0.104 115.586 115.700 -0.363 0.000 2.528 441 S HA 0.053 4.523 4.470 -0.000 0.000 0.219 441 S C -0.143 174.218 174.600 -0.398 0.000 0.985 441 S CA 0.379 58.105 58.200 -0.790 0.000 0.914 441 S CB 0.151 62.980 63.200 -0.618 0.000 0.776 441 S HN 0.733 nan 8.310 nan 0.000 0.526 442 D N -0.647 119.619 120.400 -0.222 0.000 2.653 442 D HA 0.477 5.117 4.640 -0.000 0.000 0.258 442 D C -1.822 174.441 176.300 -0.062 0.000 1.252 442 D CA -0.777 53.044 54.000 -0.298 0.000 0.777 442 D CB 1.305 41.918 40.800 -0.312 0.000 1.339 442 D HN 0.234 nan 8.370 nan 0.000 0.422 443 Y N -1.848 118.512 120.300 0.100 0.000 2.562 443 Y HA 0.715 5.265 4.550 -0.000 0.000 0.345 443 Y C -2.535 173.504 175.900 0.232 0.000 1.045 443 Y CA -2.471 55.764 58.100 0.224 0.000 1.028 443 Y CB 0.124 38.710 38.460 0.209 0.000 1.297 443 Y HN 0.045 nan 8.280 nan 0.000 0.463 444 P HA -0.007 nan 4.420 nan 0.000 0.264 444 P C 0.111 177.585 177.300 0.290 0.000 1.179 444 P CA 0.397 63.683 63.100 0.309 0.000 0.763 444 P CB 0.830 32.700 31.700 0.283 0.000 0.806 445 D N 2.216 122.687 120.400 0.119 0.000 2.172 445 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 445 D C 1.868 178.177 176.300 0.015 0.000 0.999 445 D CA 1.918 55.971 54.000 0.090 0.000 0.856 445 D CB -0.675 40.132 40.800 0.012 0.000 0.934 445 D HN 0.410 nan 8.370 nan 0.000 0.453 446 A N 0.091 122.821 122.820 -0.151 0.000 2.032 446 A HA -0.213 4.107 4.320 -0.000 0.000 0.221 446 A C 1.412 178.819 177.584 -0.296 0.000 1.165 446 A CA 1.034 52.894 52.037 -0.295 0.000 0.645 446 A CB -0.911 17.799 19.000 -0.483 0.000 0.807 446 A HN 0.293 nan 8.150 nan 0.000 0.453 447 Y N 0.043 120.356 120.300 0.021 0.000 2.471 447 Y HA 0.055 4.605 4.550 -0.000 0.000 0.286 447 Y C 2.372 178.104 175.900 -0.281 0.000 1.188 447 Y CA 0.672 58.705 58.100 -0.113 0.000 1.286 447 Y CB -0.908 37.458 38.460 -0.157 0.000 1.072 447 Y HN 0.220 nan 8.280 nan 0.000 0.517 448 T N -0.075 114.467 114.554 -0.020 0.000 2.777 448 T HA -0.227 4.123 4.350 -0.000 0.000 0.266 448 T C 2.091 176.703 174.700 -0.147 0.000 1.040 448 T CA 1.381 63.487 62.100 0.010 0.000 1.141 448 T CB -0.184 68.747 68.868 0.105 0.000 0.868 448 T HN 0.421 nan 8.240 nan 0.000 0.444 449 M N -0.519 118.906 119.600 -0.291 0.000 2.080 449 M HA -0.117 4.363 4.480 -0.000 0.000 0.260 449 M C 1.782 177.914 176.300 -0.280 0.000 1.068 449 M CA 1.845 56.910 55.300 -0.392 0.000 1.109 449 M CB -0.189 31.968 32.600 -0.739 0.000 1.342 449 M HN 0.408 nan 8.290 nan 0.000 0.405 450 W N 0.200 121.477 121.300 -0.038 0.000 2.467 450 W HA -0.063 4.597 4.660 -0.000 0.000 0.275 450 W C 2.181 178.615 176.519 -0.142 0.000 1.239 450 W CA -0.055 57.273 57.345 -0.028 0.000 1.266 450 W CB -0.459 29.024 29.460 0.037 0.000 1.112 450 W HN 0.297 nan 8.180 nan 0.000 0.576 451 N N 0.091 118.748 118.700 -0.071 0.000 2.120 451 N HA -0.127 4.613 4.740 -0.000 0.000 0.188 451 N C 1.530 176.988 175.510 -0.087 0.000 1.024 451 N CA 2.114 55.033 53.050 -0.217 0.000 0.852 451 N CB -0.682 37.464 38.487 -0.569 0.000 1.003 451 N HN 0.076 nan 8.380 nan 0.000 0.424 452 T N 2.317 116.839 114.554 -0.053 0.000 2.622 452 T HA -0.074 4.276 4.350 -0.000 0.000 0.266 452 T C 2.150 176.833 174.700 -0.028 0.000 1.047 452 T CA 0.923 63.002 62.100 -0.036 0.000 1.159 452 T CB -0.293 68.551 68.868 -0.040 0.000 0.863 452 T HN 0.188 nan 8.240 nan 0.000 0.422 453 I N 0.994 121.580 120.570 0.028 0.000 2.208 453 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 453 I C 2.827 178.950 176.117 0.010 0.000 1.097 453 I CA 1.138 62.474 61.300 0.061 0.000 1.363 453 I CB -0.450 37.677 38.000 0.212 0.000 1.051 453 I HN 0.259 nan 8.210 nan 0.000 0.413 454 S N 0.160 115.852 115.700 -0.013 0.000 2.368 454 S HA -0.176 4.294 4.470 -0.000 0.000 0.225 454 S C 2.210 176.725 174.600 -0.141 0.000 1.030 454 S CA 1.997 60.128 58.200 -0.116 0.000 0.999 454 S CB -0.143 62.959 63.200 -0.164 0.000 0.844 454 S HN 0.405 nan 8.310 nan 0.000 0.459 455 S N 1.223 116.859 115.700 -0.106 0.000 2.399 455 S HA 0.008 4.478 4.470 -0.000 0.000 0.231 455 S C 1.843 176.367 174.600 -0.127 0.000 1.022 455 S CA 1.431 59.570 58.200 -0.101 0.000 0.983 455 S CB -0.361 62.785 63.200 -0.090 0.000 0.803 455 S HN 0.532 nan 8.310 nan 0.000 0.480 456 M N 0.982 120.505 119.600 -0.128 0.000 2.159 456 M HA -0.054 4.426 4.480 -0.000 0.000 0.263 456 M C 2.496 178.784 176.300 -0.020 0.000 1.063 456 M CA 1.446 56.675 55.300 -0.119 0.000 1.110 456 M CB -0.877 31.675 32.600 -0.079 0.000 1.374 456 M HN 0.453 nan 8.290 nan 0.000 0.411 457 G N 0.324 109.099 108.800 -0.041 0.000 2.440 457 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.218 457 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.218 457 G C 1.631 176.521 174.900 -0.017 0.000 1.154 457 G CA 1.367 46.440 45.100 -0.044 0.000 0.767 457 G HN 0.570 nan 8.290 nan 0.000 0.552 458 S N 0.203 115.888 115.700 -0.025 0.000 2.383 458 S HA -0.095 4.375 4.470 -0.000 0.000 0.229 458 S C 2.150 176.864 174.600 0.190 0.000 1.030 458 S CA 1.258 59.480 58.200 0.036 0.000 1.002 458 S CB -0.705 62.519 63.200 0.040 0.000 0.829 458 S HN 0.362 nan 8.310 nan 0.000 0.467 459 F N 1.352 121.280 119.950 -0.037 0.000 2.234 459 F HA 0.112 4.639 4.527 -0.000 0.000 0.299 459 F C 2.259 178.061 175.800 0.004 0.000 1.087 459 F CA 0.688 58.682 58.000 -0.011 0.000 1.340 459 F CB -0.236 38.760 39.000 -0.007 0.000 1.031 459 F HN 0.196 nan 8.300 nan 0.000 0.500 460 I N -0.882 119.797 120.570 0.182 0.000 2.226 460 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 460 I C 2.339 178.509 176.117 0.089 0.000 1.100 460 I CA 1.177 62.544 61.300 0.112 0.000 1.374 460 I CB -0.506 37.543 38.000 0.082 0.000 1.057 460 I HN -0.012 nan 8.210 nan 0.000 0.413 461 S N 0.858 116.606 115.700 0.080 0.000 2.382 461 S HA -0.164 4.306 4.470 -0.000 0.000 0.228 461 S C 1.901 176.547 174.600 0.076 0.000 1.027 461 S CA 1.172 59.426 58.200 0.090 0.000 0.991 461 S CB -0.392 62.865 63.200 0.095 0.000 0.823 461 S HN 0.349 nan 8.310 nan 0.000 0.469 462 L N 2.077 123.315 121.223 0.025 0.000 2.046 462 L HA -0.090 4.250 4.340 -0.000 0.000 0.208 462 L C 2.112 178.972 176.870 -0.016 0.000 1.077 462 L CA 1.947 56.762 54.840 -0.041 0.000 0.747 462 L CB -1.550 40.395 42.059 -0.190 0.000 0.896 462 L HN 0.161 nan 8.230 nan 0.000 0.432 463 T N 0.230 114.788 114.554 0.006 0.000 2.720 463 T HA -0.179 4.171 4.350 -0.000 0.000 0.268 463 T C 1.957 176.717 174.700 0.101 0.000 1.037 463 T CA 1.463 63.586 62.100 0.038 0.000 1.144 463 T CB -0.631 68.273 68.868 0.060 0.000 0.864 463 T HN 0.581 nan 8.240 nan 0.000 0.444 464 A N 0.976 123.889 122.820 0.154 0.000 1.883 464 A HA -0.093 4.227 4.320 -0.000 0.000 0.217 464 A C 2.597 180.357 177.584 0.293 0.000 1.186 464 A CA 1.628 53.846 52.037 0.302 0.000 0.624 464 A CB -1.075 18.084 19.000 0.265 0.000 0.822 464 A HN 0.370 nan 8.150 nan 0.000 0.444 465 V N -0.104 119.915 119.914 0.176 0.000 2.343 465 V HA -0.312 3.808 4.120 -0.000 0.000 0.247 465 V C 2.648 178.761 176.094 0.030 0.000 1.051 465 V CA 2.204 64.565 62.300 0.102 0.000 1.036 465 V CB -0.716 31.138 31.823 0.050 0.000 0.654 465 V HN 0.570 nan 8.190 nan 0.000 0.451 466 M N -0.854 118.760 119.600 0.022 0.000 2.117 466 M HA -0.177 4.303 4.480 -0.000 0.000 0.262 466 M C 2.242 178.549 176.300 0.011 0.000 1.065 466 M CA 1.789 57.084 55.300 -0.007 0.000 1.114 466 M CB -0.495 32.087 32.600 -0.030 0.000 1.361 466 M HN 0.363 nan 8.290 nan 0.000 0.408 467 L N 0.580 121.830 121.223 0.045 0.000 2.056 467 L HA -0.165 4.175 4.340 -0.000 0.000 0.207 467 L C 2.440 179.307 176.870 -0.005 0.000 1.078 467 L CA 1.635 56.514 54.840 0.065 0.000 0.749 467 L CB -0.562 41.593 42.059 0.160 0.000 0.901 467 L HN 0.285 nan 8.230 nan 0.000 0.433 468 M N -1.618 117.879 119.600 -0.172 0.000 2.106 468 M HA -0.225 4.255 4.480 -0.000 0.000 0.259 468 M C 1.995 178.202 176.300 -0.155 0.000 1.068 468 M CA 2.152 57.230 55.300 -0.371 0.000 1.100 468 M CB -0.135 32.170 32.600 -0.491 0.000 1.351 468 M HN 0.189 nan 8.290 nan 0.000 0.404 469 V N 0.514 120.394 119.914 -0.057 0.000 2.358 469 V HA -0.265 3.855 4.120 -0.000 0.000 0.246 469 V C 2.179 178.314 176.094 0.067 0.000 1.047 469 V CA 1.998 64.302 62.300 0.006 0.000 1.035 469 V CB -0.981 30.852 31.823 0.016 0.000 0.658 469 V HN 0.645 nan 8.190 nan 0.000 0.452 470 F N 0.822 120.724 119.950 -0.080 0.000 2.171 470 F HA -0.163 4.364 4.527 -0.000 0.000 0.300 470 F C 2.049 177.839 175.800 -0.015 0.000 1.090 470 F CA 1.532 59.502 58.000 -0.050 0.000 1.293 470 F CB -0.382 38.493 39.000 -0.209 0.000 1.013 470 F HN 0.094 nan 8.300 nan 0.000 0.486 471 I N 0.325 120.621 120.570 -0.458 0.000 2.226 471 I HA -0.325 3.845 4.170 -0.000 0.000 0.245 471 I C 2.435 178.310 176.117 -0.403 0.000 1.100 471 I CA 1.612 62.572 61.300 -0.566 0.000 1.374 471 I CB -0.578 37.267 38.000 -0.257 0.000 1.057 471 I HN 0.175 nan 8.210 nan 0.000 0.413 472 I N -0.279 120.157 120.570 -0.223 0.000 2.179 472 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 472 I C 2.512 178.641 176.117 0.020 0.000 1.088 472 I CA 1.736 62.949 61.300 -0.146 0.000 1.357 472 I CB -0.497 37.552 38.000 0.081 0.000 1.051 472 I HN 0.421 nan 8.210 nan 0.000 0.409 473 W N 2.233 123.473 121.300 -0.099 0.000 2.358 473 W HA -0.230 4.430 4.660 -0.000 0.000 0.303 473 W C 2.467 178.913 176.519 -0.122 0.000 1.208 473 W CA 1.671 59.012 57.345 -0.008 0.000 1.274 473 W CB -0.211 29.226 29.460 -0.038 0.000 1.138 473 W HN 0.071 nan 8.180 nan 0.000 0.515 474 E N 0.713 120.638 120.200 -0.458 0.000 2.153 474 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 474 E C 2.036 178.304 176.600 -0.554 0.000 0.988 474 E CA 1.610 57.559 56.400 -0.751 0.000 0.811 474 E CB -0.411 28.834 29.700 -0.758 0.000 0.746 474 E HN 0.357 nan 8.360 nan 0.000 0.466 475 A N -0.155 122.420 122.820 -0.409 0.000 1.897 475 A HA -0.052 4.268 4.320 -0.000 0.000 0.215 475 A C 2.050 179.414 177.584 -0.367 0.000 1.181 475 A CA 0.753 52.603 52.037 -0.312 0.000 0.620 475 A CB -0.844 17.969 19.000 -0.313 0.000 0.821 475 A HN 0.288 nan 8.150 nan 0.000 0.443 476 F N -0.055 119.726 119.950 -0.282 0.000 2.325 476 F HA -0.015 4.512 4.527 -0.000 0.000 0.299 476 F C 2.656 178.133 175.800 -0.538 0.000 1.090 476 F CA 0.647 58.414 58.000 -0.389 0.000 1.392 476 F CB 0.083 38.996 39.000 -0.145 0.000 1.053 476 F HN 0.289 nan 8.300 nan 0.000 0.521 477 A N -1.018 121.496 122.820 -0.510 0.000 1.898 477 A HA -0.095 4.225 4.320 -0.000 0.000 0.214 477 A C 2.250 179.579 177.584 -0.425 0.000 1.183 477 A CA 1.751 53.406 52.037 -0.637 0.000 0.622 477 A CB -0.727 17.459 19.000 -1.357 0.000 0.824 477 A HN 0.243 nan 8.150 nan 0.000 0.444 478 S N -0.935 114.524 115.700 -0.403 0.000 2.446 478 S HA 0.080 4.550 4.470 -0.000 0.000 0.225 478 S C 0.348 174.824 174.600 -0.207 0.000 1.016 478 S CA 0.490 58.539 58.200 -0.250 0.000 0.943 478 S CB -0.086 62.998 63.200 -0.193 0.000 0.786 478 S HN 0.563 nan 8.310 nan 0.000 0.508 479 K N 1.213 121.405 120.400 -0.345 0.000 3.239 479 K HA -0.150 4.170 4.320 -0.000 0.000 0.270 479 K C -0.955 175.655 176.600 0.017 0.000 1.049 479 K CA 0.265 56.354 56.287 -0.329 0.000 0.769 479 K CB -1.179 31.210 32.500 -0.184 0.000 1.305 479 K HN 0.368 nan 8.250 nan 0.000 0.469 480 R N 1.684 122.218 120.500 0.056 0.000 2.242 480 R HA 0.124 4.464 4.340 -0.000 0.000 0.334 480 R C -0.072 176.365 176.300 0.229 0.000 1.071 480 R CA -0.167 56.005 56.100 0.119 0.000 0.922 480 R CB 0.552 30.894 30.300 0.070 0.000 1.023 480 R HN 0.229 nan 8.270 nan 0.000 0.458 481 E N 2.288 122.600 120.200 0.186 0.000 2.259 481 E HA 0.104 4.454 4.350 -0.000 0.000 0.281 481 E C -0.176 176.458 176.600 0.057 0.000 1.027 481 E CA -0.544 55.929 56.400 0.122 0.000 0.838 481 E CB 1.659 31.410 29.700 0.086 0.000 1.066 481 E HN 0.216 nan 8.360 nan 0.000 0.401 482 V N 5.078 125.003 119.914 0.019 0.000 2.694 482 V HA -0.116 4.004 4.120 -0.000 0.000 0.306 482 V C 1.269 177.377 176.094 0.023 0.000 1.054 482 V CA 0.744 63.058 62.300 0.024 0.000 1.161 482 V CB 0.287 32.126 31.823 0.027 0.000 0.916 482 V HN 0.722 nan 8.190 nan 0.000 0.490 483 L N 3.098 124.335 121.223 0.024 0.000 2.194 483 L HA 0.193 4.533 4.340 -0.000 0.000 0.197 483 L C 1.011 177.895 176.870 0.023 0.000 1.106 483 L CA 0.850 55.703 54.840 0.022 0.000 0.785 483 L CB 0.011 42.081 42.059 0.018 0.000 0.960 483 L HN 0.608 nan 8.230 nan 0.000 0.465 484 T N 0.125 114.683 114.554 0.008 0.000 2.863 484 T HA 0.593 4.943 4.350 -0.000 0.000 0.285 484 T C -0.866 173.807 174.700 -0.046 0.000 1.009 484 T CA -0.278 61.818 62.100 -0.006 0.000 0.989 484 T CB 2.504 71.364 68.868 -0.014 0.000 1.004 484 T HN -0.224 nan 8.240 nan 0.000 0.455 485 V N 2.873 122.741 119.914 -0.076 0.000 2.735 485 V HA 0.443 4.563 4.120 -0.000 0.000 0.310 485 V C -0.200 175.813 176.094 -0.135 0.000 1.061 485 V CA -0.949 61.237 62.300 -0.190 0.000 0.913 485 V CB 2.288 33.884 31.823 -0.377 0.000 1.005 485 V HN 0.808 nan 8.190 nan 0.000 0.428 486 D N 1.839 122.156 120.400 -0.138 0.000 2.383 486 D HA 0.447 5.087 4.640 -0.000 0.000 0.248 486 D C 0.799 176.987 176.300 -0.187 0.000 1.170 486 D CA 0.012 53.919 54.000 -0.154 0.000 0.977 486 D CB 0.896 41.571 40.800 -0.210 0.000 1.120 486 D HN 0.546 nan 8.370 nan 0.000 0.481 487 L N 0.400 121.514 121.223 -0.183 0.000 3.843 487 L HA -0.302 4.038 4.340 -0.000 0.000 0.411 487 L C 1.603 178.489 176.870 0.027 0.000 1.205 487 L CA 0.690 55.439 54.840 -0.151 0.000 0.945 487 L CB -2.488 39.324 42.059 -0.412 0.000 1.929 487 L HN 0.569 nan 8.230 nan 0.000 0.934 488 T N -5.317 109.274 114.554 0.062 0.000 3.007 488 T HA -0.152 4.198 4.350 -0.000 0.000 0.270 488 T C 1.686 176.483 174.700 0.162 0.000 1.107 488 T CA 1.406 63.606 62.100 0.166 0.000 1.118 488 T CB -0.398 68.571 68.868 0.167 0.000 0.889 488 T HN 0.606 nan 8.240 nan 0.000 0.506 489 T N 0.350 114.961 114.554 0.095 0.000 3.007 489 T HA -0.029 4.321 4.350 -0.000 0.000 0.270 489 T C 1.559 176.328 174.700 0.115 0.000 1.107 489 T CA 1.160 63.318 62.100 0.095 0.000 1.118 489 T CB -0.734 68.168 68.868 0.057 0.000 0.889 489 T HN 0.637 nan 8.240 nan 0.000 0.506 490 T N -0.833 113.798 114.554 0.128 0.000 3.339 490 T HA 0.366 4.716 4.350 -0.000 0.000 0.292 490 T C -0.056 174.790 174.700 0.244 0.000 1.012 490 T CA -0.843 61.346 62.100 0.148 0.000 0.937 490 T CB -0.158 68.763 68.868 0.088 0.000 1.164 490 T HN 0.259 nan 8.240 nan 0.000 0.509 491 N N 1.354 120.247 118.700 0.322 0.000 2.751 491 N HA 0.147 4.887 4.740 -0.000 0.000 0.234 491 N C 0.316 176.129 175.510 0.505 0.000 1.403 491 N CA -0.254 53.095 53.050 0.500 0.000 0.747 491 N CB 1.778 40.664 38.487 0.666 0.000 1.326 491 N HN 0.087 nan 8.380 nan 0.000 0.532 492 L N 2.049 123.508 121.223 0.394 0.000 2.127 492 L HA -0.115 4.225 4.340 -0.000 0.000 0.211 492 L C 2.302 179.400 176.870 0.381 0.000 1.089 492 L CA 2.022 57.075 54.840 0.354 0.000 0.757 492 L CB -0.067 42.162 42.059 0.283 0.000 0.899 492 L HN 0.393 nan 8.230 nan 0.000 0.434 493 E N -1.611 118.796 120.200 0.345 0.000 2.409 493 E HA -0.258 4.092 4.350 -0.000 0.000 0.198 493 E C 1.557 178.212 176.600 0.091 0.000 1.024 493 E CA 1.196 57.721 56.400 0.208 0.000 0.861 493 E CB -0.895 28.840 29.700 0.059 0.000 0.788 493 E HN 0.718 nan 8.360 nan 0.000 0.521 494 W N 0.166 121.601 121.300 0.226 0.000 3.197 494 W HA 0.219 4.879 4.660 -0.000 0.000 0.274 494 W C 1.513 178.102 176.519 0.117 0.000 1.297 494 W CA -0.540 56.891 57.345 0.145 0.000 1.662 494 W CB 0.167 29.700 29.460 0.120 0.000 1.106 494 W HN 0.053 nan 8.180 nan 0.000 0.663 495 L N 0.996 122.417 121.223 0.330 0.000 2.552 495 L HA 0.067 4.407 4.340 -0.000 0.000 0.227 495 L C 1.173 178.112 176.870 0.115 0.000 1.146 495 L CA 1.422 56.396 54.840 0.223 0.000 0.858 495 L CB -0.598 41.598 42.059 0.227 0.000 0.969 495 L HN -0.001 nan 8.230 nan 0.000 0.451 496 N N -0.073 118.674 118.700 0.079 0.000 2.230 496 N HA 0.227 4.967 4.740 -0.000 0.000 0.202 496 N C 0.738 176.270 175.510 0.036 0.000 1.119 496 N CA 0.765 53.809 53.050 -0.010 0.000 0.851 496 N CB 0.684 39.097 38.487 -0.123 0.000 0.990 496 N HN 0.326 nan 8.380 nan 0.000 0.497 497 G N 0.478 109.332 108.800 0.090 0.000 2.757 497 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.638 497 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.638 497 G C -0.953 173.992 174.900 0.075 0.000 1.344 497 G CA -0.744 44.407 45.100 0.086 0.000 0.855 497 G HN 0.267 nan 8.290 nan 0.000 0.537 498 C N 2.174 121.501 119.300 0.045 0.000 2.381 498 C HA 0.713 5.173 4.460 -0.000 0.000 0.328 498 C C -1.569 173.373 174.990 -0.080 0.000 1.190 498 C CA -0.725 58.285 59.018 -0.014 0.000 1.369 498 C CB 1.324 29.073 27.740 0.014 0.000 2.029 498 C HN 0.844 nan 8.230 nan 0.000 0.448 499 P HA 0.384 nan 4.420 nan 0.000 0.276 499 P C -2.586 174.749 177.300 0.059 0.000 1.261 499 P CA -1.223 61.875 63.100 -0.003 0.000 0.800 499 P CB -0.053 31.689 31.700 0.070 0.000 1.066 500 P HA 0.255 nan 4.420 nan 0.000 0.272 500 P C -2.474 174.857 177.300 0.051 0.000 1.230 500 P CA -1.409 61.739 63.100 0.081 0.000 0.788 500 P CB -1.188 30.579 31.700 0.113 0.000 0.949 501 P HA -0.016 nan 4.420 nan 0.000 0.268 501 P C 0.884 178.176 177.300 -0.012 0.000 1.208 501 P CA 0.093 63.204 63.100 0.019 0.000 0.777 501 P CB 0.056 31.767 31.700 0.018 0.000 0.875 502 Y N 1.686 121.886 120.300 -0.166 0.000 2.069 502 Y HA -0.258 4.292 4.550 -0.000 0.000 0.278 502 Y C 1.094 176.787 175.900 -0.345 0.000 1.175 502 Y CA 1.791 59.700 58.100 -0.317 0.000 1.134 502 Y CB -0.177 38.046 38.460 -0.396 0.000 0.965 502 Y HN 0.355 nan 8.280 nan 0.000 0.498 503 H N 0.703 119.803 119.070 0.051 0.000 2.552 503 H HA 0.295 4.851 4.556 -0.000 0.000 0.311 503 H C -0.002 175.315 175.328 -0.019 0.000 1.071 503 H CA 0.233 56.275 56.048 -0.010 0.000 1.307 503 H CB 0.686 30.483 29.762 0.058 0.000 1.416 503 H HN 0.161 nan 8.280 nan 0.000 0.464 504 T N -0.787 113.831 114.554 0.107 0.000 2.940 504 T HA 0.371 4.721 4.350 -0.000 0.000 0.288 504 T C 0.083 174.837 174.700 0.090 0.000 1.033 504 T CA -0.828 61.253 62.100 -0.031 0.000 1.033 504 T CB 1.248 70.049 68.868 -0.113 0.000 1.079 504 T HN 0.448 nan 8.240 nan 0.000 0.496 505 F N -0.695 119.290 119.950 0.058 0.000 3.074 505 F HA -0.197 4.330 4.527 -0.000 0.000 0.289 505 F C 1.252 177.062 175.800 0.017 0.000 0.863 505 F CA 0.314 58.336 58.000 0.035 0.000 1.121 505 F CB -2.547 36.465 39.000 0.020 0.000 1.169 505 F HN 0.798 nan 8.300 nan 0.000 0.570 506 E N 0.276 120.535 120.200 0.099 0.000 2.106 506 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 506 E C 1.125 177.756 176.600 0.053 0.000 0.984 506 E CA 1.187 57.615 56.400 0.047 0.000 0.806 506 E CB 0.089 29.796 29.700 0.012 0.000 0.750 506 E HN 0.605 nan 8.360 nan 0.000 0.458 507 E N 1.883 122.125 120.200 0.070 0.000 2.109 507 E HA 0.140 4.490 4.350 -0.000 0.000 0.278 507 E C -2.375 174.314 176.600 0.148 0.000 0.954 507 E CA -2.673 53.777 56.400 0.083 0.000 0.779 507 E CB 0.881 30.620 29.700 0.064 0.000 1.093 507 E HN -0.149 nan 8.360 nan 0.000 0.401 508 P HA 0.006 nan 4.420 nan 0.000 0.272 508 P C -0.193 177.228 177.300 0.200 0.000 1.240 508 P CA -0.350 62.854 63.100 0.174 0.000 0.791 508 P CB 0.453 32.195 31.700 0.069 0.000 0.978 509 T N -1.490 113.190 114.554 0.210 0.000 2.748 509 T HA 0.122 4.472 4.350 -0.000 0.000 0.304 509 T C -0.466 174.342 174.700 0.181 0.000 1.041 509 T CA -0.126 62.105 62.100 0.217 0.000 1.033 509 T CB 0.020 68.991 68.868 0.172 0.000 0.995 509 T HN 0.395 nan 8.240 nan 0.000 0.536 510 Y N 0.722 121.062 120.300 0.066 0.000 2.334 510 Y HA 0.571 5.121 4.550 -0.000 0.000 0.336 510 Y C -1.397 174.525 175.900 0.036 0.000 0.960 510 Y CA -1.192 56.934 58.100 0.043 0.000 1.164 510 Y CB 0.927 39.413 38.460 0.042 0.000 1.155 510 Y HN 0.582 nan 8.280 nan 0.000 0.478 511 V N 6.523 126.224 119.914 -0.355 0.000 2.525 511 V HA 0.297 4.417 4.120 -0.000 0.000 0.299 511 V C -0.582 175.278 176.094 -0.390 0.000 1.034 511 V CA -1.196 60.973 62.300 -0.217 0.000 0.863 511 V CB 1.736 33.507 31.823 -0.087 0.000 0.999 511 V HN 0.859 nan 8.190 nan 0.000 0.423 512 N N 2.415 120.956 118.700 -0.266 0.000 2.503 512 N HA 0.434 5.174 4.740 -0.000 0.000 0.267 512 N C 0.775 176.230 175.510 -0.091 0.000 1.214 512 N CA -0.499 52.442 53.050 -0.181 0.000 0.959 512 N CB 1.482 39.987 38.487 0.030 0.000 1.142 512 N HN 0.606 nan 8.380 nan 0.000 0.455 513 L N 1.630 122.810 121.223 -0.071 0.000 2.130 513 L HA 0.189 4.529 4.340 -0.000 0.000 0.200 513 L C 0.446 177.312 176.870 -0.008 0.000 1.075 513 L CA 0.707 55.527 54.840 -0.033 0.000 0.768 513 L CB -0.134 41.906 42.059 -0.032 0.000 0.933 513 L HN 0.687 nan 8.230 nan 0.000 0.451 514 K N 0.000 120.401 120.400 0.002 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.295 56.287 0.014 0.000 0.838 514 K CB 0.000 32.510 32.500 0.016 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543