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 3ag1_1_A DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.812 175.800 0.020 0.000 0.967 2 F CA 0.000 58.055 58.000 0.091 0.000 1.383 2 F CB 0.000 39.052 39.000 0.086 0.000 1.145 3 I N 1.165 121.735 120.570 -0.001 0.000 2.233 3 I HA -0.226 3.944 4.170 -0.000 0.000 0.243 3 I C 1.656 177.386 176.117 -0.645 0.000 1.093 3 I CA 1.835 62.952 61.300 -0.305 0.000 1.380 3 I CB -0.428 37.353 38.000 -0.365 0.000 1.067 3 I HN 0.238 nan 8.210 nan 0.000 0.413 4 N N 0.541 118.942 118.700 -0.498 0.000 2.104 4 N HA -0.226 4.514 4.740 -0.000 0.000 0.190 4 N C 1.894 177.232 175.510 -0.286 0.000 1.024 4 N CA 1.239 54.076 53.050 -0.356 0.000 0.853 4 N CB -0.191 38.201 38.487 -0.159 0.000 1.008 4 N HN 0.215 nan 8.380 nan 0.000 0.424 5 R N -1.054 119.201 120.500 -0.410 0.000 2.062 5 R HA -0.040 4.300 4.340 -0.000 0.000 0.229 5 R C 1.133 176.970 176.300 -0.771 0.000 1.128 5 R CA 1.320 57.031 56.100 -0.648 0.000 0.960 5 R CB -0.171 29.616 30.300 -0.855 0.000 0.855 5 R HN 0.311 nan 8.270 nan 0.000 0.432 6 W N -1.175 119.899 121.300 -0.378 0.000 3.013 6 W HA 0.212 4.872 4.660 -0.000 0.000 0.280 6 W C 1.032 177.517 176.519 -0.057 0.000 1.249 6 W CA -0.612 56.526 57.345 -0.346 0.000 1.577 6 W CB 0.515 29.521 29.460 -0.757 0.000 1.057 6 W HN 0.075 nan 8.180 nan 0.000 0.613 7 L N -1.615 119.629 121.223 0.036 0.000 2.537 7 L HA 0.211 4.551 4.340 -0.000 0.000 0.224 7 L C 0.750 177.824 176.870 0.339 0.000 1.065 7 L CA 0.863 55.776 54.840 0.121 0.000 0.860 7 L CB -0.517 41.427 42.059 -0.192 0.000 1.086 7 L HN -0.160 nan 8.230 nan 0.000 0.482 8 F N -1.095 118.850 119.950 -0.009 0.000 2.684 8 F HA 0.386 4.913 4.527 -0.000 0.000 0.298 8 F C 1.265 177.057 175.800 -0.014 0.000 1.120 8 F CA -1.162 56.827 58.000 -0.018 0.000 1.332 8 F CB -1.038 37.933 39.000 -0.048 0.000 0.986 8 F HN -0.206 nan 8.300 nan 0.000 0.524 9 S N 0.937 116.737 115.700 0.166 0.000 2.558 9 S HA 0.164 4.634 4.470 -0.000 0.000 0.288 9 S C 1.144 175.767 174.600 0.038 0.000 1.318 9 S CA 0.641 58.853 58.200 0.020 0.000 1.056 9 S CB 0.311 63.461 63.200 -0.082 0.000 0.853 9 S HN 0.498 nan 8.310 nan 0.000 0.505 10 T N 1.373 115.921 114.554 -0.010 0.000 3.339 10 T HA 0.301 4.651 4.350 -0.000 0.000 0.292 10 T C -0.225 174.417 174.700 -0.096 0.000 1.012 10 T CA -0.692 61.399 62.100 -0.015 0.000 0.937 10 T CB -0.412 68.471 68.868 0.025 0.000 1.164 10 T HN 0.520 nan 8.240 nan 0.000 0.509 11 N N 1.431 120.002 118.700 -0.215 0.000 2.407 11 N HA 0.156 4.896 4.740 -0.000 0.000 0.277 11 N C 0.965 176.226 175.510 -0.414 0.000 0.995 11 N CA -0.290 52.501 53.050 -0.432 0.000 0.903 11 N CB 1.414 39.403 38.487 -0.831 0.000 1.218 11 N HN 0.591 nan 8.380 nan 0.000 0.487 12 H N 3.027 121.866 119.070 -0.385 0.000 2.421 12 H HA -0.010 4.546 4.556 -0.000 0.000 0.298 12 H C 1.073 176.074 175.328 -0.544 0.000 1.087 12 H CA 1.322 57.156 56.048 -0.357 0.000 1.330 12 H CB 0.341 29.930 29.762 -0.289 0.000 1.388 12 H HN 0.475 nan 8.280 nan 0.000 0.526 13 K N 0.333 119.875 120.400 -1.430 0.000 2.007 13 K HA -0.093 4.227 4.320 -0.000 0.000 0.206 13 K C 1.673 177.561 176.600 -1.186 0.000 1.047 13 K CA 1.313 56.534 56.287 -1.777 0.000 0.937 13 K CB 0.059 31.451 32.500 -1.847 0.000 0.718 13 K HN 0.263 nan 8.250 nan 0.000 0.438 14 D N 1.112 121.061 120.400 -0.750 0.000 2.144 14 D HA -0.117 4.523 4.640 -0.000 0.000 0.199 14 D C 1.870 178.033 176.300 -0.227 0.000 0.984 14 D CA 0.980 54.754 54.000 -0.376 0.000 0.834 14 D CB -0.159 40.283 40.800 -0.596 0.000 0.955 14 D HN 0.141 nan 8.370 nan 0.000 0.465 15 I N 0.798 121.184 120.570 -0.306 0.000 2.226 15 I HA -0.169 4.001 4.170 -0.000 0.000 0.245 15 I C 2.513 178.581 176.117 -0.081 0.000 1.100 15 I CA 1.314 62.488 61.300 -0.210 0.000 1.374 15 I CB -0.349 37.593 38.000 -0.096 0.000 1.057 15 I HN 0.022 nan 8.210 nan 0.000 0.413 16 G N -0.116 108.593 108.800 -0.151 0.000 2.440 16 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.218 16 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.218 16 G C 1.653 176.615 174.900 0.103 0.000 1.154 16 G CA 1.434 46.532 45.100 -0.004 0.000 0.767 16 G HN 0.279 nan 8.290 nan 0.000 0.552 17 T N 1.332 115.921 114.554 0.059 0.000 2.720 17 T HA -0.067 4.283 4.350 -0.000 0.000 0.268 17 T C 2.415 177.136 174.700 0.034 0.000 1.037 17 T CA 0.984 63.193 62.100 0.181 0.000 1.144 17 T CB -0.226 68.805 68.868 0.272 0.000 0.864 17 T HN 0.159 nan 8.240 nan 0.000 0.444 18 L N -0.642 120.489 121.223 -0.153 0.000 2.042 18 L HA -0.139 4.201 4.340 -0.000 0.000 0.210 18 L C 2.388 179.082 176.870 -0.293 0.000 1.076 18 L CA 1.564 56.116 54.840 -0.480 0.000 0.749 18 L CB -0.567 40.706 42.059 -1.311 0.000 0.893 18 L HN 0.278 nan 8.230 nan 0.000 0.432 19 Y N -0.041 120.155 120.300 -0.173 0.000 2.181 19 Y HA -0.236 4.314 4.550 -0.000 0.000 0.288 19 Y C 2.417 178.454 175.900 0.229 0.000 1.146 19 Y CA 1.367 59.585 58.100 0.196 0.000 1.164 19 Y CB -0.354 38.202 38.460 0.159 0.000 0.982 19 Y HN 0.045 nan 8.280 nan 0.000 0.515 20 L N -0.913 120.477 121.223 0.279 0.000 2.042 20 L HA -0.272 4.068 4.340 -0.000 0.000 0.210 20 L C 2.286 179.294 176.870 0.230 0.000 1.076 20 L CA 1.211 56.172 54.840 0.202 0.000 0.749 20 L CB -0.772 41.355 42.059 0.113 0.000 0.893 20 L HN 0.253 nan 8.230 nan 0.000 0.432 21 L N -1.387 119.959 121.223 0.205 0.000 2.017 21 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 21 L C 2.586 179.620 176.870 0.274 0.000 1.073 21 L CA 1.337 56.292 54.840 0.192 0.000 0.745 21 L CB -0.545 41.574 42.059 0.101 0.000 0.894 21 L HN 0.155 nan 8.230 nan 0.000 0.432 22 F N 0.949 121.033 119.950 0.222 0.000 2.065 22 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 22 F C 2.260 178.278 175.800 0.364 0.000 1.112 22 F CA 1.869 60.054 58.000 0.308 0.000 1.212 22 F CB -0.749 38.470 39.000 0.365 0.000 0.975 22 F HN 0.005 nan 8.300 nan 0.000 0.476 23 G N -0.742 108.317 108.800 0.431 0.000 2.432 23 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.219 23 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.219 23 G C 1.732 176.725 174.900 0.155 0.000 1.135 23 G CA 0.760 46.032 45.100 0.286 0.000 0.767 23 G HN 0.650 nan 8.290 nan 0.000 0.550 24 A N -0.170 122.745 122.820 0.158 0.000 1.897 24 A HA 0.033 4.353 4.320 -0.000 0.000 0.215 24 A C 2.118 179.773 177.584 0.117 0.000 1.181 24 A CA 1.392 53.486 52.037 0.094 0.000 0.620 24 A CB -0.655 18.394 19.000 0.081 0.000 0.821 24 A HN 0.511 nan 8.150 nan 0.000 0.443 25 W N 0.675 121.961 121.300 -0.024 0.000 2.381 25 W HA -0.090 4.570 4.660 -0.000 0.000 0.301 25 W C 2.481 178.987 176.519 -0.021 0.000 1.205 25 W CA 2.159 59.483 57.345 -0.036 0.000 1.285 25 W CB -0.127 29.297 29.460 -0.060 0.000 1.133 25 W HN 0.352 nan 8.180 nan 0.000 0.521 26 A N 0.607 123.541 122.820 0.191 0.000 1.908 26 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 26 A C 2.217 179.818 177.584 0.027 0.000 1.181 26 A CA 2.117 54.237 52.037 0.139 0.000 0.627 26 A CB -1.747 17.225 19.000 -0.046 0.000 0.818 26 A HN 0.429 nan 8.150 nan 0.000 0.445 27 G N -0.757 108.054 108.800 0.019 0.000 2.469 27 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.219 27 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.219 27 G C 1.487 176.362 174.900 -0.041 0.000 1.150 27 G CA 1.499 46.603 45.100 0.008 0.000 0.763 27 G HN 0.375 nan 8.290 nan 0.000 0.561 28 M N 0.210 119.727 119.600 -0.138 0.000 2.132 28 M HA 0.023 4.503 4.480 -0.000 0.000 0.263 28 M C 2.807 178.983 176.300 -0.207 0.000 1.065 28 M CA 0.682 55.863 55.300 -0.198 0.000 1.122 28 M CB -1.169 31.234 32.600 -0.329 0.000 1.365 28 M HN 0.124 nan 8.290 nan 0.000 0.411 29 V N 0.324 120.073 119.914 -0.275 0.000 2.295 29 V HA -0.174 3.946 4.120 -0.000 0.000 0.246 29 V C 2.638 178.736 176.094 0.006 0.000 1.049 29 V CA 2.098 64.291 62.300 -0.178 0.000 1.024 29 V CB -1.681 30.087 31.823 -0.093 0.000 0.648 29 V HN 0.560 nan 8.190 nan 0.000 0.447 30 G N -0.656 108.180 108.800 0.060 0.000 2.422 30 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.218 30 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.218 30 G C 1.677 176.688 174.900 0.184 0.000 1.140 30 G CA 1.449 46.636 45.100 0.145 0.000 0.775 30 G HN 0.481 nan 8.290 nan 0.000 0.545 31 T N 1.544 116.149 114.554 0.085 0.000 2.777 31 T HA 0.083 4.433 4.350 -0.000 0.000 0.266 31 T C 2.820 177.526 174.700 0.011 0.000 1.040 31 T CA 1.313 63.450 62.100 0.063 0.000 1.141 31 T CB -0.282 68.596 68.868 0.016 0.000 0.868 31 T HN 0.347 nan 8.240 nan 0.000 0.444 32 A N 1.195 124.000 122.820 -0.024 0.000 1.930 32 A HA 0.061 4.381 4.320 -0.000 0.000 0.217 32 A C 2.280 179.852 177.584 -0.019 0.000 1.175 32 A CA 1.048 53.054 52.037 -0.050 0.000 0.627 32 A CB -0.819 18.139 19.000 -0.071 0.000 0.815 32 A HN 0.457 nan 8.150 nan 0.000 0.443 33 L N 0.391 121.630 121.223 0.026 0.000 2.046 33 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 33 L C 3.042 179.881 176.870 -0.052 0.000 1.077 33 L CA 1.688 56.551 54.840 0.038 0.000 0.747 33 L CB -0.453 41.691 42.059 0.141 0.000 0.896 33 L HN 0.620 nan 8.230 nan 0.000 0.432 34 S N -0.259 115.382 115.700 -0.098 0.000 2.402 34 S HA -0.117 4.353 4.470 -0.000 0.000 0.229 34 S C 1.932 176.460 174.600 -0.120 0.000 1.021 34 S CA 0.742 58.768 58.200 -0.289 0.000 0.974 34 S CB -0.543 62.531 63.200 -0.209 0.000 0.800 34 S HN 0.362 nan 8.310 nan 0.000 0.484 35 L N 0.459 121.642 121.223 -0.066 0.000 2.093 35 L HA 0.066 4.406 4.340 -0.000 0.000 0.208 35 L C 2.572 179.452 176.870 0.017 0.000 1.085 35 L CA 0.882 55.693 54.840 -0.048 0.000 0.755 35 L CB -0.505 41.468 42.059 -0.142 0.000 0.904 35 L HN 0.307 nan 8.230 nan 0.000 0.435 36 L N -0.511 120.719 121.223 0.011 0.000 2.093 36 L HA -0.215 4.125 4.340 -0.000 0.000 0.208 36 L C 2.442 179.377 176.870 0.109 0.000 1.085 36 L CA 1.240 56.114 54.840 0.058 0.000 0.755 36 L CB -0.338 41.746 42.059 0.040 0.000 0.904 36 L HN 0.200 nan 8.230 nan 0.000 0.435 37 I N -0.702 119.903 120.570 0.058 0.000 2.208 37 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 37 I C 2.615 178.862 176.117 0.216 0.000 1.097 37 I CA 1.207 62.602 61.300 0.158 0.000 1.363 37 I CB -0.347 37.655 38.000 0.004 0.000 1.051 37 I HN 0.238 nan 8.210 nan 0.000 0.413 38 R N 0.615 121.184 120.500 0.114 0.000 2.193 38 R HA 0.062 4.401 4.340 -0.000 0.000 0.213 38 R C 2.249 178.634 176.300 0.142 0.000 1.055 38 R CA 1.081 57.246 56.100 0.108 0.000 0.995 38 R CB -0.298 30.036 30.300 0.057 0.000 0.893 38 R HN 0.353 nan 8.270 nan 0.000 0.459 39 A N 1.221 124.141 122.820 0.165 0.000 1.897 39 A HA -0.180 4.140 4.320 -0.000 0.000 0.215 39 A C 2.065 179.725 177.584 0.126 0.000 1.181 39 A CA 1.469 53.604 52.037 0.164 0.000 0.620 39 A CB -0.256 18.848 19.000 0.174 0.000 0.821 39 A HN 0.221 nan 8.150 nan 0.000 0.443 40 E N 0.285 120.576 120.200 0.151 0.000 2.153 40 E HA -0.113 4.237 4.350 -0.000 0.000 0.194 40 E C 1.481 178.119 176.600 0.064 0.000 0.988 40 E CA 1.295 57.758 56.400 0.106 0.000 0.811 40 E CB -0.339 29.471 29.700 0.184 0.000 0.746 40 E HN 0.581 nan 8.360 nan 0.000 0.466 41 L N -0.981 120.320 121.223 0.130 0.000 2.607 41 L HA 0.309 4.649 4.340 -0.000 0.000 0.228 41 L C 1.959 178.956 176.870 0.211 0.000 1.123 41 L CA 0.354 55.318 54.840 0.207 0.000 0.890 41 L CB 0.270 42.449 42.059 0.200 0.000 1.103 41 L HN 0.218 nan 8.230 nan 0.000 0.468 42 G N 0.123 108.993 108.800 0.117 0.000 2.813 42 G HA2 -0.014 3.946 3.960 -0.000 0.000 0.209 42 G HA3 -0.014 3.946 3.960 -0.000 0.000 0.209 42 G C 0.450 175.394 174.900 0.074 0.000 1.150 42 G CA 0.092 45.233 45.100 0.069 0.000 0.785 42 G HN 0.485 nan 8.290 nan 0.000 0.535 43 Q N -0.720 119.137 119.800 0.094 0.000 2.482 43 Q HA 0.555 4.895 4.340 -0.000 0.000 0.286 43 Q C -3.234 172.778 176.000 0.019 0.000 1.007 43 Q CA -2.114 53.736 55.803 0.079 0.000 0.801 43 Q CB 1.948 30.694 28.738 0.014 0.000 1.455 43 Q HN -0.138 nan 8.270 nan 0.000 0.398 44 P HA 0.414 nan 4.420 nan 0.000 0.269 44 P C 0.148 177.330 177.300 -0.196 0.000 1.215 44 P CA 1.237 64.181 63.100 -0.259 0.000 0.780 44 P CB 0.581 32.191 31.700 -0.151 0.000 0.898 45 G N -0.358 108.291 108.800 -0.251 0.000 2.566 45 G HA2 0.017 3.977 3.960 -0.000 0.000 0.599 45 G HA3 0.017 3.977 3.960 -0.000 0.000 0.599 45 G C -0.952 173.851 174.900 -0.163 0.000 1.292 45 G CA -0.324 44.678 45.100 -0.163 0.000 0.922 45 G HN 0.728 nan 8.290 nan 0.000 0.514 46 T N -0.640 113.848 114.554 -0.110 0.000 2.855 46 T HA 0.611 4.961 4.350 -0.000 0.000 0.281 46 T C 0.916 175.587 174.700 -0.048 0.000 1.007 46 T CA 0.430 62.476 62.100 -0.091 0.000 1.009 46 T CB 1.407 70.229 68.868 -0.077 0.000 0.983 46 T HN 1.500 nan 8.240 nan 0.000 0.455 47 L N 4.773 125.982 121.223 -0.023 0.000 2.515 47 L HA 0.503 4.843 4.340 -0.000 0.000 0.202 47 L C 1.794 178.680 176.870 0.027 0.000 1.056 47 L CA 0.935 55.780 54.840 0.009 0.000 0.847 47 L CB -0.281 41.797 42.059 0.031 0.000 1.131 47 L HN 0.728 nan 8.230 nan 0.000 0.484 48 L N -0.125 121.126 121.223 0.047 0.000 2.291 48 L HA 0.177 4.517 4.340 -0.000 0.000 0.214 48 L C 1.847 178.742 176.870 0.041 0.000 1.120 48 L CA 0.896 55.774 54.840 0.063 0.000 0.799 48 L CB -0.884 41.242 42.059 0.112 0.000 0.925 48 L HN 0.583 nan 8.230 nan 0.000 0.446 49 G N -0.440 108.372 108.800 0.020 0.000 2.267 49 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.257 49 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.257 49 G C 0.127 175.038 174.900 0.018 0.000 0.998 49 G CA 0.436 45.542 45.100 0.011 0.000 0.620 49 G HN 0.397 nan 8.290 nan 0.000 0.529 50 D N -0.141 120.283 120.400 0.040 0.000 2.476 50 D HA 0.511 5.151 4.640 -0.000 0.000 0.251 50 D C 0.182 176.535 176.300 0.088 0.000 1.291 50 D CA -0.515 53.517 54.000 0.053 0.000 0.939 50 D CB 1.203 42.036 40.800 0.056 0.000 1.221 50 D HN -0.011 nan 8.370 nan 0.000 0.567 51 D N 1.493 121.937 120.400 0.073 0.000 2.305 51 D HA -0.083 4.557 4.640 -0.000 0.000 0.206 51 D C 1.658 178.048 176.300 0.149 0.000 0.974 51 D CA 0.603 54.668 54.000 0.107 0.000 0.871 51 D CB 0.529 41.350 40.800 0.034 0.000 0.947 51 D HN 0.329 nan 8.370 nan 0.000 0.516 52 Q N 0.312 120.174 119.800 0.104 0.000 2.119 52 Q HA -0.061 4.279 4.340 -0.000 0.000 0.201 52 Q C 1.703 177.781 176.000 0.129 0.000 0.972 52 Q CA 1.244 57.115 55.803 0.112 0.000 0.847 52 Q CB -0.154 28.628 28.738 0.074 0.000 0.903 52 Q HN 0.335 nan 8.270 nan 0.000 0.433 53 I N -0.390 120.254 120.570 0.124 0.000 2.315 53 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 53 I C 1.909 178.103 176.117 0.127 0.000 1.117 53 I CA 1.141 62.510 61.300 0.115 0.000 1.404 53 I CB -0.344 37.717 38.000 0.101 0.000 1.071 53 I HN 0.301 nan 8.210 nan 0.000 0.419 54 Y N 2.210 122.552 120.300 0.070 0.000 2.128 54 Y HA -0.327 4.223 4.550 -0.000 0.000 0.284 54 Y C 2.360 178.319 175.900 0.098 0.000 1.154 54 Y CA 1.923 60.071 58.100 0.079 0.000 1.149 54 Y CB -0.174 38.330 38.460 0.073 0.000 0.976 54 Y HN 0.196 nan 8.280 nan 0.000 0.505 55 N N -0.349 118.413 118.700 0.104 0.000 2.270 55 N HA -0.143 4.597 4.740 -0.000 0.000 0.181 55 N C 1.909 177.429 175.510 0.017 0.000 1.016 55 N CA 1.385 54.469 53.050 0.057 0.000 0.870 55 N CB -0.573 38.006 38.487 0.153 0.000 0.979 55 N HN 0.286 nan 8.380 nan 0.000 0.431 56 V N 0.429 120.376 119.914 0.055 0.000 2.332 56 V HA -0.159 3.961 4.120 -0.000 0.000 0.248 56 V C 2.317 178.436 176.094 0.042 0.000 1.055 56 V CA 1.162 63.505 62.300 0.072 0.000 1.038 56 V CB -0.410 31.472 31.823 0.097 0.000 0.651 56 V HN 0.078 nan 8.190 nan 0.000 0.450 57 V N -0.551 119.346 119.914 -0.028 0.000 2.323 57 V HA -0.181 3.939 4.120 -0.000 0.000 0.244 57 V C 2.399 178.461 176.094 -0.054 0.000 1.041 57 V CA 1.744 64.021 62.300 -0.039 0.000 1.025 57 V CB -0.091 31.677 31.823 -0.093 0.000 0.656 57 V HN 0.393 nan 8.190 nan 0.000 0.451 58 V N 0.031 119.827 119.914 -0.195 0.000 2.287 58 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 58 V C 2.572 178.681 176.094 0.025 0.000 1.053 58 V CA 2.759 65.001 62.300 -0.098 0.000 1.027 58 V CB -1.175 30.541 31.823 -0.178 0.000 0.646 58 V HN 0.626 nan 8.190 nan 0.000 0.447 59 T N 0.448 115.005 114.554 0.006 0.000 2.684 59 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 59 T C 2.038 176.761 174.700 0.037 0.000 1.036 59 T CA 1.745 63.835 62.100 -0.018 0.000 1.148 59 T CB -0.479 68.417 68.868 0.047 0.000 0.863 59 T HN 0.583 nan 8.240 nan 0.000 0.436 60 A N 1.190 124.113 122.820 0.170 0.000 1.930 60 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 60 A C 2.003 179.721 177.584 0.223 0.000 1.175 60 A CA 2.117 54.321 52.037 0.277 0.000 0.627 60 A CB -0.941 18.206 19.000 0.245 0.000 0.815 60 A HN 0.698 nan 8.150 nan 0.000 0.443 61 H N 0.498 119.608 119.070 0.068 0.000 2.289 61 H HA -0.086 4.470 4.556 -0.000 0.000 0.296 61 H C 2.072 177.404 175.328 0.006 0.000 1.091 61 H CA 2.406 58.483 56.048 0.048 0.000 1.274 61 H CB -0.434 29.345 29.762 0.029 0.000 1.364 61 H HN 0.356 nan 8.280 nan 0.000 0.490 62 A N -0.029 122.617 122.820 -0.290 0.000 1.858 62 A HA -0.090 4.230 4.320 -0.000 0.000 0.216 62 A C 2.259 179.658 177.584 -0.309 0.000 1.190 62 A CA 1.521 53.241 52.037 -0.528 0.000 0.617 62 A CB -1.118 17.510 19.000 -0.621 0.000 0.827 62 A HN 0.451 nan 8.150 nan 0.000 0.443 63 F N -0.059 119.914 119.950 0.039 0.000 2.171 63 F HA -0.121 4.406 4.527 -0.000 0.000 0.300 63 F C 2.471 178.373 175.800 0.171 0.000 1.090 63 F CA 1.103 59.237 58.000 0.222 0.000 1.293 63 F CB -0.850 38.319 39.000 0.280 0.000 1.013 63 F HN 0.022 nan 8.300 nan 0.000 0.486 64 V N -0.560 119.554 119.914 0.335 0.000 2.358 64 V HA -0.284 3.836 4.120 -0.000 0.000 0.246 64 V C 2.457 178.597 176.094 0.077 0.000 1.047 64 V CA 1.378 63.840 62.300 0.271 0.000 1.035 64 V CB -0.473 31.488 31.823 0.230 0.000 0.658 64 V HN 0.210 nan 8.190 nan 0.000 0.452 65 M N -1.013 118.535 119.600 -0.086 0.000 2.200 65 M HA -0.029 4.451 4.480 -0.000 0.000 0.265 65 M C 2.095 178.273 176.300 -0.205 0.000 1.066 65 M CA 1.824 57.029 55.300 -0.158 0.000 1.127 65 M CB -0.807 31.610 32.600 -0.305 0.000 1.379 65 M HN 0.279 nan 8.290 nan 0.000 0.420 66 I N -1.280 119.104 120.570 -0.309 0.000 2.270 66 I HA -0.216 3.954 4.170 -0.000 0.000 0.239 66 I C 1.983 177.812 176.117 -0.479 0.000 1.080 66 I CA 1.093 62.104 61.300 -0.481 0.000 1.383 66 I CB -0.303 37.250 38.000 -0.745 0.000 1.097 66 I HN 0.038 nan 8.210 nan 0.000 0.420 67 F N -0.360 119.410 119.950 -0.299 0.000 2.335 67 F HA -0.024 4.503 4.527 -0.000 0.000 0.296 67 F C 1.726 177.142 175.800 -0.639 0.000 1.091 67 F CA 1.039 58.718 58.000 -0.536 0.000 1.399 67 F CB -0.137 38.359 39.000 -0.841 0.000 1.067 67 F HN -0.057 nan 8.300 nan 0.000 0.520 68 F N -2.355 117.672 119.950 0.129 0.000 2.720 68 F HA 0.195 4.722 4.527 -0.000 0.000 0.301 68 F C 1.824 177.704 175.800 0.133 0.000 1.103 68 F CA 0.071 58.149 58.000 0.130 0.000 1.291 68 F CB -0.048 38.728 39.000 -0.374 0.000 1.086 68 F HN -0.106 nan 8.300 nan 0.000 0.592 69 M N -0.721 118.975 119.600 0.159 0.000 3.127 69 M HA 0.113 4.593 4.480 -0.000 0.000 0.228 69 M C 1.976 178.343 176.300 0.111 0.000 1.558 69 M CA 1.043 56.424 55.300 0.135 0.000 1.349 69 M CB -0.464 32.174 32.600 0.063 0.000 1.098 69 M HN -0.112 nan 8.290 nan 0.000 0.582 70 V N 1.747 121.669 119.914 0.014 0.000 2.255 70 V HA -0.304 3.816 4.120 -0.000 0.000 0.247 70 V C 2.505 178.615 176.094 0.026 0.000 1.051 70 V CA 2.132 64.434 62.300 0.002 0.000 1.018 70 V CB -0.774 30.996 31.823 -0.088 0.000 0.641 70 V HN 0.504 nan 8.190 nan 0.000 0.445 71 M N -0.753 118.835 119.600 -0.020 0.000 2.156 71 M HA -0.039 4.441 4.480 -0.000 0.000 0.264 71 M C -0.150 176.199 176.300 0.082 0.000 1.067 71 M CA 1.869 57.164 55.300 -0.008 0.000 1.131 71 M CB -1.340 31.225 32.600 -0.059 0.000 1.368 71 M HN 0.280 nan 8.290 nan 0.000 0.416 72 P HA -0.118 nan 4.420 nan 0.000 0.215 72 P C 1.397 178.846 177.300 0.249 0.000 1.153 72 P CA 1.365 64.673 63.100 0.348 0.000 0.853 72 P CB -0.087 32.013 31.700 0.667 0.000 0.788 73 I N -2.119 118.606 120.570 0.258 0.000 2.286 73 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 73 I C 2.417 178.718 176.117 0.306 0.000 1.104 73 I CA 1.510 62.961 61.300 0.253 0.000 1.397 73 I CB -0.346 37.819 38.000 0.275 0.000 1.072 73 I HN -0.080 nan 8.210 nan 0.000 0.417 74 M N -0.258 119.507 119.600 0.276 0.000 2.193 74 M HA -0.107 4.373 4.480 -0.000 0.000 0.265 74 M C 2.167 178.596 176.300 0.214 0.000 1.071 74 M CA 1.885 57.380 55.300 0.326 0.000 1.140 74 M CB -0.002 32.700 32.600 0.171 0.000 1.369 74 M HN 0.153 nan 8.290 nan 0.000 0.423 75 I N -1.208 119.377 120.570 0.026 0.000 2.512 75 I HA 0.010 4.180 4.170 -0.000 0.000 0.247 75 I C 2.524 178.550 176.117 -0.151 0.000 1.094 75 I CA 1.031 62.248 61.300 -0.139 0.000 1.427 75 I CB -0.735 37.160 38.000 -0.174 0.000 1.149 75 I HN 0.251 nan 8.210 nan 0.000 0.438 76 G N 0.245 108.824 108.800 -0.367 0.000 2.403 76 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.216 76 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.216 76 G C 1.588 176.155 174.900 -0.555 0.000 1.154 76 G CA 0.831 45.261 45.100 -1.115 0.000 0.784 76 G HN 0.478 nan 8.290 nan 0.000 0.538 77 G N 0.411 109.110 108.800 -0.168 0.000 2.572 77 G HA2 0.072 4.032 3.960 -0.000 0.000 0.214 77 G HA3 0.072 4.032 3.960 -0.000 0.000 0.214 77 G C 1.520 176.375 174.900 -0.075 0.000 1.246 77 G CA 0.379 45.453 45.100 -0.044 0.000 0.835 77 G HN 0.283 nan 8.290 nan 0.000 0.551 78 F N 1.768 121.792 119.950 0.123 0.000 2.134 78 F HA 0.026 4.553 4.527 -0.000 0.000 0.299 78 F C 2.940 178.882 175.800 0.237 0.000 1.097 78 F CA 1.036 59.100 58.000 0.106 0.000 1.264 78 F CB -0.385 38.630 39.000 0.026 0.000 1.001 78 F HN 0.228 nan 8.300 nan 0.000 0.479 79 G N 0.037 109.075 108.800 0.396 0.000 2.433 79 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.216 79 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.216 79 G C 1.631 176.821 174.900 0.483 0.000 1.186 79 G CA 0.954 46.227 45.100 0.289 0.000 0.779 79 G HN 0.231 nan 8.290 nan 0.000 0.543 80 N N 0.099 119.045 118.700 0.410 0.000 2.069 80 N HA -0.133 4.607 4.740 -0.000 0.000 0.191 80 N C 1.950 177.611 175.510 0.250 0.000 1.031 80 N CA 1.210 54.404 53.050 0.241 0.000 0.852 80 N CB -0.364 38.176 38.487 0.087 0.000 1.018 80 N HN 0.561 nan 8.380 nan 0.000 0.423 81 W N 1.373 122.689 121.300 0.027 0.000 2.355 81 W HA 0.026 4.686 4.660 -0.000 0.000 0.309 81 W C 2.229 178.805 176.519 0.095 0.000 1.206 81 W CA 0.643 57.962 57.345 -0.044 0.000 1.284 81 W CB -0.298 28.897 29.460 -0.441 0.000 1.145 81 W HN 0.010 nan 8.180 nan 0.000 0.502 82 L N -1.768 119.655 121.223 0.333 0.000 2.253 82 L HA -0.067 4.273 4.340 -0.000 0.000 0.205 82 L C 2.068 179.047 176.870 0.183 0.000 1.078 82 L CA 0.102 55.033 54.840 0.151 0.000 0.805 82 L CB -0.977 40.972 42.059 -0.183 0.000 0.963 82 L HN -0.221 nan 8.230 nan 0.000 0.459 83 V N 1.046 121.106 119.914 0.244 0.000 2.295 83 V HA -0.166 3.954 4.120 -0.000 0.000 0.246 83 V C -0.298 175.794 176.094 -0.003 0.000 1.049 83 V CA 2.171 64.561 62.300 0.151 0.000 1.024 83 V CB -1.347 30.590 31.823 0.191 0.000 0.648 83 V HN 0.321 nan 8.190 nan 0.000 0.447 84 P HA -0.111 nan 4.420 nan 0.000 0.218 84 P C 1.837 179.032 177.300 -0.174 0.000 1.149 84 P CA 1.327 64.254 63.100 -0.288 0.000 0.817 84 P CB -0.037 31.241 31.700 -0.703 0.000 0.785 85 L N -2.076 119.162 121.223 0.025 0.000 2.217 85 L HA -0.038 4.302 4.340 -0.000 0.000 0.211 85 L C 2.363 179.298 176.870 0.109 0.000 1.107 85 L CA 1.231 56.202 54.840 0.218 0.000 0.783 85 L CB -0.639 41.597 42.059 0.296 0.000 0.919 85 L HN 0.003 nan 8.230 nan 0.000 0.442 86 M N -0.303 119.338 119.600 0.069 0.000 2.492 86 M HA -0.048 4.432 4.480 -0.000 0.000 0.262 86 M C 1.702 178.007 176.300 0.009 0.000 1.090 86 M CA 1.291 56.651 55.300 0.100 0.000 1.110 86 M CB 0.169 32.874 32.600 0.175 0.000 1.407 86 M HN 0.310 nan 8.290 nan 0.000 0.470 87 I N -4.501 115.999 120.570 -0.117 0.000 4.081 87 I HA 0.479 4.649 4.170 -0.000 0.000 0.333 87 I C 0.754 176.656 176.117 -0.359 0.000 1.413 87 I CA -0.054 61.138 61.300 -0.181 0.000 1.110 87 I CB 0.060 37.962 38.000 -0.163 0.000 1.082 87 I HN 0.279 nan 8.210 nan 0.000 0.402 88 G N 2.115 110.520 108.800 -0.658 0.000 2.246 88 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.273 88 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.273 88 G C 0.194 174.498 174.900 -0.992 0.000 1.055 88 G CA 0.169 44.450 45.100 -1.366 0.000 0.851 88 G HN 0.964 nan 8.290 nan 0.000 0.500 89 A N 0.043 122.498 122.820 -0.609 0.000 2.312 89 A HA 0.897 5.217 4.320 -0.000 0.000 0.328 89 A C -0.372 177.114 177.584 -0.164 0.000 1.158 89 A CA -1.050 50.794 52.037 -0.322 0.000 0.821 89 A CB 1.376 20.208 19.000 -0.279 0.000 1.170 89 A HN 0.094 nan 8.150 nan 0.000 0.490 90 P HA 0.050 nan 4.420 nan 0.000 0.231 90 P C -0.057 177.251 177.300 0.014 0.000 1.168 90 P CA 0.978 64.118 63.100 0.067 0.000 0.779 90 P CB 0.478 32.197 31.700 0.032 0.000 0.844 91 D N -2.476 117.854 120.400 -0.117 0.000 3.010 91 D HA 0.147 4.787 4.640 -0.000 0.000 0.353 91 D C -0.647 175.498 176.300 -0.257 0.000 1.415 91 D CA -0.458 53.447 54.000 -0.159 0.000 0.864 91 D CB 0.586 41.363 40.800 -0.038 0.000 1.445 91 D HN -0.343 nan 8.370 nan 0.000 0.516 92 M N 1.084 120.537 119.600 -0.245 0.000 2.202 92 M HA 0.322 4.802 4.480 -0.000 0.000 0.316 92 M C 1.351 177.453 176.300 -0.330 0.000 1.138 92 M CA 0.034 55.151 55.300 -0.306 0.000 1.151 92 M CB 0.388 32.807 32.600 -0.302 0.000 1.422 92 M HN 0.610 nan 8.290 nan 0.000 0.471 93 A N 1.718 124.244 122.820 -0.489 0.000 1.908 93 A HA -0.098 4.222 4.320 -0.000 0.000 0.218 93 A C 0.518 177.671 177.584 -0.719 0.000 1.181 93 A CA 1.683 53.270 52.037 -0.750 0.000 0.627 93 A CB -0.343 17.887 19.000 -1.284 0.000 0.818 93 A HN 0.591 nan 8.150 nan 0.000 0.445 94 F N -1.173 118.714 119.950 -0.106 0.000 2.449 94 F HA 0.380 4.907 4.527 -0.000 0.000 0.344 94 F C -2.169 173.587 175.800 -0.074 0.000 1.180 94 F CA -2.736 55.217 58.000 -0.078 0.000 1.209 94 F CB 1.076 40.036 39.000 -0.067 0.000 1.440 94 F HN 0.037 nan 8.300 nan 0.000 0.526 95 P HA -0.063 nan 4.420 nan 0.000 0.225 95 P C 1.782 179.106 177.300 0.039 0.000 1.156 95 P CA 0.930 64.035 63.100 0.007 0.000 0.787 95 P CB 0.330 32.022 31.700 -0.013 0.000 0.802 96 R N -0.389 120.149 120.500 0.063 0.000 2.090 96 R HA 0.123 4.463 4.340 -0.000 0.000 0.219 96 R C 2.209 178.551 176.300 0.070 0.000 1.100 96 R CA 0.689 56.823 56.100 0.057 0.000 0.991 96 R CB -0.703 29.617 30.300 0.034 0.000 0.893 96 R HN 0.031 nan 8.270 nan 0.000 0.443 97 M N 1.312 120.958 119.600 0.076 0.000 2.195 97 M HA -0.214 4.266 4.480 -0.000 0.000 0.260 97 M C 1.619 177.973 176.300 0.090 0.000 1.066 97 M CA 1.830 57.170 55.300 0.066 0.000 1.089 97 M CB -0.220 32.405 32.600 0.042 0.000 1.377 97 M HN 0.139 nan 8.290 nan 0.000 0.411 98 N N 0.770 119.525 118.700 0.091 0.000 2.149 98 N HA -0.203 4.537 4.740 -0.000 0.000 0.188 98 N C 1.315 176.909 175.510 0.140 0.000 1.019 98 N CA 1.669 54.769 53.050 0.084 0.000 0.857 98 N CB -0.403 38.093 38.487 0.015 0.000 0.997 98 N HN 0.424 nan 8.380 nan 0.000 0.426 99 N N -0.189 118.599 118.700 0.146 0.000 2.270 99 N HA -0.025 4.715 4.740 -0.000 0.000 0.181 99 N C 1.663 177.346 175.510 0.288 0.000 1.016 99 N CA 0.636 53.822 53.050 0.225 0.000 0.870 99 N CB -0.160 38.480 38.487 0.256 0.000 0.979 99 N HN 0.318 nan 8.380 nan 0.000 0.431 100 M N -0.620 119.103 119.600 0.205 0.000 2.229 100 M HA -0.057 4.423 4.480 -0.000 0.000 0.264 100 M C 1.684 178.053 176.300 0.114 0.000 1.063 100 M CA 0.957 56.362 55.300 0.175 0.000 1.114 100 M CB 0.035 32.694 32.600 0.099 0.000 1.387 100 M HN 0.049 nan 8.290 nan 0.000 0.420 101 S N 0.323 116.095 115.700 0.120 0.000 2.370 101 S HA -0.167 4.303 4.470 -0.000 0.000 0.226 101 S C 1.482 176.094 174.600 0.019 0.000 1.033 101 S CA 1.475 59.747 58.200 0.121 0.000 1.011 101 S CB -0.526 62.808 63.200 0.222 0.000 0.852 101 S HN 0.615 nan 8.310 nan 0.000 0.457 102 F N 0.687 120.534 119.950 -0.172 0.000 2.102 102 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 102 F C 1.694 177.119 175.800 -0.625 0.000 1.105 102 F CA 1.145 58.735 58.000 -0.683 0.000 1.239 102 F CB -0.551 37.883 39.000 -0.944 0.000 0.991 102 F HN 0.235 nan 8.300 nan 0.000 0.474 103 W N 0.307 121.404 121.300 -0.338 0.000 2.699 103 W HA 0.014 4.674 4.660 -0.000 0.000 0.249 103 W C 2.032 178.364 176.519 -0.312 0.000 1.280 103 W CA 0.330 57.486 57.345 -0.316 0.000 1.345 103 W CB -0.248 29.202 29.460 -0.017 0.000 1.128 103 W HN 0.017 nan 8.180 nan 0.000 0.642 104 L N -0.250 120.906 121.223 -0.111 0.000 2.291 104 L HA -0.177 4.163 4.340 -0.000 0.000 0.214 104 L C 2.041 178.827 176.870 -0.140 0.000 1.120 104 L CA 0.831 55.632 54.840 -0.065 0.000 0.799 104 L CB -0.457 41.589 42.059 -0.022 0.000 0.925 104 L HN 0.086 nan 8.230 nan 0.000 0.446 105 L N -0.612 120.365 121.223 -0.411 0.000 2.095 105 L HA -0.076 4.264 4.340 -0.000 0.000 0.204 105 L C -0.224 176.476 176.870 -0.283 0.000 1.080 105 L CA 0.946 55.532 54.840 -0.423 0.000 0.759 105 L CB -1.618 39.887 42.059 -0.924 0.000 0.914 105 L HN 0.186 nan 8.230 nan 0.000 0.439 106 P HA -0.105 nan 4.420 nan 0.000 0.214 106 P C -1.384 175.980 177.300 0.107 0.000 1.163 106 P CA 1.470 64.618 63.100 0.080 0.000 0.883 106 P CB -1.109 30.651 31.700 0.100 0.000 0.788 107 P HA -0.176 nan 4.420 nan 0.000 0.216 107 P C 1.843 179.197 177.300 0.090 0.000 1.150 107 P CA 1.796 64.938 63.100 0.069 0.000 0.843 107 P CB -0.509 31.224 31.700 0.054 0.000 0.787 108 S N -1.640 114.127 115.700 0.112 0.000 2.368 108 S HA -0.146 4.324 4.470 -0.000 0.000 0.225 108 S C 1.829 176.528 174.600 0.164 0.000 1.030 108 S CA 0.747 59.056 58.200 0.182 0.000 0.999 108 S CB -1.070 62.302 63.200 0.286 0.000 0.844 108 S HN 0.085 nan 8.310 nan 0.000 0.459 109 F N 0.841 120.669 119.950 -0.203 0.000 2.146 109 F HA -0.055 4.472 4.527 -0.000 0.000 0.298 109 F C 2.055 177.750 175.800 -0.174 0.000 1.096 109 F CA 0.837 58.522 58.000 -0.525 0.000 1.275 109 F CB -0.121 38.619 39.000 -0.433 0.000 1.008 109 F HN 0.303 nan 8.300 nan 0.000 0.480 110 L N 1.146 122.425 121.223 0.094 0.000 2.012 110 L HA -0.251 4.089 4.340 -0.000 0.000 0.210 110 L C 2.019 178.923 176.870 0.057 0.000 1.073 110 L CA 1.814 56.664 54.840 0.017 0.000 0.748 110 L CB -0.897 41.171 42.059 0.015 0.000 0.891 110 L HN 0.165 nan 8.230 nan 0.000 0.431 111 L N -1.280 119.996 121.223 0.089 0.000 2.079 111 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 111 L C 2.493 179.430 176.870 0.111 0.000 1.081 111 L CA 1.244 56.146 54.840 0.102 0.000 0.752 111 L CB -0.738 41.396 42.059 0.126 0.000 0.896 111 L HN 0.377 nan 8.230 nan 0.000 0.433 112 L N -0.448 120.863 121.223 0.146 0.000 2.056 112 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 112 L C 2.301 179.272 176.870 0.169 0.000 1.078 112 L CA 1.567 56.510 54.840 0.173 0.000 0.749 112 L CB -0.249 41.984 42.059 0.289 0.000 0.901 112 L HN 0.084 nan 8.230 nan 0.000 0.433 113 L N -0.613 120.693 121.223 0.139 0.000 2.046 113 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 113 L C 2.692 179.601 176.870 0.066 0.000 1.077 113 L CA 1.110 55.997 54.840 0.078 0.000 0.747 113 L CB -0.929 41.110 42.059 -0.032 0.000 0.896 113 L HN 0.364 nan 8.230 nan 0.000 0.432 114 A N 0.105 122.961 122.820 0.060 0.000 1.978 114 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 114 A C 2.533 180.161 177.584 0.072 0.000 1.170 114 A CA 2.105 54.176 52.037 0.058 0.000 0.636 114 A CB -0.686 18.349 19.000 0.058 0.000 0.810 114 A HN 0.541 nan 8.150 nan 0.000 0.448 115 S N 0.213 115.965 115.700 0.086 0.000 2.406 115 S HA -0.128 4.342 4.470 -0.000 0.000 0.228 115 S C 1.970 176.626 174.600 0.094 0.000 1.020 115 S CA 1.585 59.838 58.200 0.088 0.000 0.965 115 S CB -0.744 62.506 63.200 0.083 0.000 0.798 115 S HN 0.943 nan 8.310 nan 0.000 0.488 116 S N 0.413 116.172 115.700 0.099 0.000 2.527 116 S HA 0.203 4.673 4.470 -0.000 0.000 0.222 116 S C 1.743 176.388 174.600 0.076 0.000 0.985 116 S CA 0.169 58.427 58.200 0.097 0.000 0.921 116 S CB -0.330 62.934 63.200 0.105 0.000 0.772 116 S HN 0.341 nan 8.310 nan 0.000 0.529 117 M N 2.033 121.672 119.600 0.065 0.000 2.325 117 M HA 0.273 4.753 4.480 -0.000 0.000 0.265 117 M C 1.068 177.399 176.300 0.052 0.000 1.094 117 M CA 0.439 55.771 55.300 0.052 0.000 1.161 117 M CB -0.794 31.832 32.600 0.043 0.000 1.358 117 M HN 0.408 nan 8.290 nan 0.000 0.446 118 V N -0.723 119.226 119.914 0.058 0.000 2.785 118 V HA 0.351 4.471 4.120 -0.000 0.000 0.300 118 V C 0.769 176.899 176.094 0.061 0.000 1.062 118 V CA -1.073 61.260 62.300 0.055 0.000 1.029 118 V CB 0.962 32.820 31.823 0.058 0.000 1.024 118 V HN 0.590 nan 8.190 nan 0.000 0.477 119 E N 2.340 122.571 120.200 0.052 0.000 3.440 119 E HA -0.350 4.000 4.350 -0.000 0.000 0.328 119 E C 0.932 177.564 176.600 0.053 0.000 1.514 119 E CA 1.844 58.274 56.400 0.049 0.000 1.926 119 E CB -1.608 28.126 29.700 0.057 0.000 1.874 119 E HN 1.529 nan 8.360 nan 0.000 0.471 120 A N 1.601 124.456 122.820 0.059 0.000 2.507 120 A HA 0.499 4.819 4.320 -0.000 0.000 0.270 120 A C 0.893 178.539 177.584 0.103 0.000 1.318 120 A CA 1.435 53.510 52.037 0.064 0.000 0.924 120 A CB -0.263 18.758 19.000 0.034 0.000 1.061 120 A HN 1.373 nan 8.150 nan 0.000 0.516 121 G N -1.147 107.722 108.800 0.116 0.000 2.860 121 G HA2 0.297 4.257 3.960 -0.000 0.000 0.553 121 G HA3 0.297 4.257 3.960 -0.000 0.000 0.553 121 G C 0.060 175.076 174.900 0.194 0.000 1.439 121 G CA -0.315 44.866 45.100 0.136 0.000 0.879 121 G HN 1.752 nan 8.290 nan 0.000 0.545 122 A N 0.284 123.191 122.820 0.145 0.000 2.341 122 A HA 0.742 5.062 4.320 -0.000 0.000 0.326 122 A C 0.874 178.487 177.584 0.049 0.000 1.402 122 A CA 0.773 52.837 52.037 0.045 0.000 0.957 122 A CB 0.514 19.520 19.000 0.011 0.000 1.151 122 A HN 2.317 nan 8.150 nan 0.000 0.533 123 G N 1.589 110.478 108.800 0.149 0.000 4.464 123 G HA2 0.368 4.328 3.960 -0.000 0.000 0.297 123 G HA3 0.368 4.328 3.960 -0.000 0.000 0.297 123 G C 0.659 175.600 174.900 0.069 0.000 1.342 123 G CA 0.495 45.691 45.100 0.160 0.000 1.335 123 G HN 0.773 nan 8.290 nan 0.000 0.609 124 T N -2.829 111.679 114.554 -0.078 0.000 2.985 124 T HA 0.485 4.835 4.350 -0.000 0.000 0.254 124 T C 1.237 175.867 174.700 -0.116 0.000 1.021 124 T CA 0.469 62.485 62.100 -0.140 0.000 0.957 124 T CB 0.659 69.374 68.868 -0.255 0.000 1.047 124 T HN 1.525 nan 8.240 nan 0.000 0.511 125 G N 1.804 110.558 108.800 -0.076 0.000 2.733 125 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.686 125 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.686 125 G C 0.269 175.048 174.900 -0.201 0.000 1.373 125 G CA -0.239 44.798 45.100 -0.105 0.000 0.838 125 G HN 0.642 nan 8.290 nan 0.000 0.588 126 W N 0.521 121.545 121.300 -0.459 0.000 2.825 126 W HA 0.032 4.692 4.660 -0.000 0.000 0.243 126 W C 1.457 177.704 176.519 -0.452 0.000 1.293 126 W CA 1.702 58.576 57.345 -0.785 0.000 1.403 126 W CB -1.498 27.390 29.460 -0.954 0.000 1.134 126 W HN 0.952 nan 8.180 nan 0.000 0.666 127 T N -0.923 112.960 114.554 -1.119 0.000 3.043 127 T HA 0.038 4.388 4.350 -0.000 0.000 0.263 127 T C 1.189 175.333 174.700 -0.927 0.000 1.094 127 T CA 0.804 61.894 62.100 -1.683 0.000 1.127 127 T CB -0.805 67.067 68.868 -1.659 0.000 0.905 127 T HN 0.125 nan 8.240 nan 0.000 0.490 128 V N 0.913 120.523 119.914 -0.507 0.000 5.616 128 V HA -0.232 3.888 4.120 -0.000 0.000 0.301 128 V C 0.166 176.014 176.094 -0.410 0.000 0.564 128 V CA 0.181 62.295 62.300 -0.309 0.000 0.653 128 V CB -2.954 28.783 31.823 -0.143 0.000 0.372 128 V HN 0.697 nan 8.190 nan 0.000 1.029 129 Y N 1.863 121.869 120.300 -0.489 0.000 2.620 129 Y HA 0.215 4.765 4.550 -0.000 0.000 0.330 129 Y C -0.809 174.808 175.900 -0.472 0.000 1.186 129 Y CA -1.686 56.087 58.100 -0.545 0.000 1.467 129 Y CB 0.829 39.142 38.460 -0.244 0.000 1.262 129 Y HN 0.285 nan 8.280 nan 0.000 0.550 130 P HA 0.128 nan 4.420 nan 0.000 0.277 130 P C -2.426 174.825 177.300 -0.082 0.000 1.240 130 P CA -1.834 61.140 63.100 -0.209 0.000 0.798 130 P CB 1.194 32.766 31.700 -0.214 0.000 0.979 131 P HA 0.052 nan 4.420 nan 0.000 0.236 131 P C 1.523 178.846 177.300 0.038 0.000 1.177 131 P CA 0.048 63.162 63.100 0.022 0.000 0.773 131 P CB -0.089 31.639 31.700 0.047 0.000 0.878 132 L N 0.561 121.813 121.223 0.048 0.000 2.081 132 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 132 L C 1.984 178.941 176.870 0.146 0.000 1.080 132 L CA 2.079 56.984 54.840 0.108 0.000 0.754 132 L CB -1.243 40.875 42.059 0.099 0.000 0.893 132 L HN -0.048 nan 8.230 nan 0.000 0.433 133 A N -0.964 121.845 122.820 -0.019 0.000 2.238 133 A HA 0.380 4.700 4.320 -0.000 0.000 0.208 133 A C 1.372 178.947 177.584 -0.015 0.000 1.177 133 A CA 0.430 52.408 52.037 -0.099 0.000 0.804 133 A CB -1.221 17.633 19.000 -0.242 0.000 0.823 133 A HN 0.483 nan 8.150 nan 0.000 0.482 134 G N -0.134 108.686 108.800 0.033 0.000 2.588 134 G HA2 0.298 4.258 3.960 -0.000 0.000 0.281 134 G HA3 0.298 4.258 3.960 -0.000 0.000 0.281 134 G C 0.525 175.470 174.900 0.075 0.000 1.236 134 G CA 0.099 45.229 45.100 0.050 0.000 0.969 134 G HN 0.430 nan 8.290 nan 0.000 0.504 135 N N -0.852 117.884 118.700 0.061 0.000 2.521 135 N HA -0.015 4.725 4.740 -0.000 0.000 0.188 135 N C 1.279 176.816 175.510 0.045 0.000 1.146 135 N CA 0.319 53.402 53.050 0.056 0.000 0.893 135 N CB 0.216 38.730 38.487 0.046 0.000 0.975 135 N HN 0.262 nan 8.380 nan 0.000 0.451 136 L N -0.112 121.136 121.223 0.042 0.000 2.347 136 L HA 0.466 4.806 4.340 -0.000 0.000 0.196 136 L C 2.136 179.012 176.870 0.010 0.000 1.072 136 L CA 0.982 55.837 54.840 0.025 0.000 0.817 136 L CB -1.081 40.994 42.059 0.027 0.000 1.029 136 L HN 0.155 nan 8.230 nan 0.000 0.478 137 A N -1.861 120.974 122.820 0.025 0.000 2.066 137 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 137 A C 0.473 177.988 177.584 -0.115 0.000 1.157 137 A CA 1.096 53.127 52.037 -0.009 0.000 0.670 137 A CB -0.696 18.336 19.000 0.054 0.000 0.804 137 A HN 0.615 nan 8.150 nan 0.000 0.453 138 H N -1.201 117.877 119.070 0.012 0.000 2.616 138 H HA 0.533 5.089 4.556 -0.000 0.000 0.229 138 H C 0.139 175.476 175.328 0.014 0.000 1.418 138 H CA -0.090 55.965 56.048 0.013 0.000 1.248 138 H CB 0.371 30.136 29.762 0.005 0.000 1.822 138 H HN 0.430 nan 8.280 nan 0.000 0.522 139 A N 0.948 123.786 122.820 0.031 0.000 2.498 139 A HA 0.538 4.858 4.320 -0.000 0.000 0.239 139 A C 1.153 178.767 177.584 0.049 0.000 1.068 139 A CA 0.950 53.009 52.037 0.036 0.000 0.766 139 A CB -0.264 18.743 19.000 0.011 0.000 1.003 139 A HN 0.865 nan 8.150 nan 0.000 0.497 140 G N -0.270 108.562 108.800 0.053 0.000 2.526 140 G HA2 0.346 4.306 3.960 -0.000 0.000 0.250 140 G HA3 0.346 4.306 3.960 -0.000 0.000 0.250 140 G C 0.639 175.580 174.900 0.068 0.000 1.289 140 G CA 0.229 45.362 45.100 0.056 0.000 0.947 140 G HN 1.977 nan 8.290 nan 0.000 0.517 141 A N -0.812 122.050 122.820 0.071 0.000 2.147 141 A HA 0.495 4.815 4.320 -0.000 0.000 0.211 141 A C 2.525 180.153 177.584 0.075 0.000 1.160 141 A CA 2.013 54.096 52.037 0.077 0.000 0.781 141 A CB -0.401 18.648 19.000 0.082 0.000 0.842 141 A HN 1.451 nan 8.150 nan 0.000 0.475 142 S N -0.025 115.725 115.700 0.084 0.000 2.365 142 S HA -0.171 4.299 4.470 -0.000 0.000 0.225 142 S C 1.832 176.457 174.600 0.041 0.000 1.039 142 S CA 1.768 60.017 58.200 0.082 0.000 1.033 142 S CB -0.400 62.873 63.200 0.121 0.000 0.887 142 S HN 0.349 nan 8.310 nan 0.000 0.447 143 V N 2.221 122.147 119.914 0.020 0.000 2.548 143 V HA -0.119 4.001 4.120 -0.000 0.000 0.249 143 V C 1.941 177.968 176.094 -0.111 0.000 1.055 143 V CA 1.482 63.745 62.300 -0.061 0.000 1.065 143 V CB -0.601 31.174 31.823 -0.079 0.000 0.681 143 V HN 0.395 nan 8.190 nan 0.000 0.462 144 D N 0.117 120.465 120.400 -0.087 0.000 2.144 144 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 144 D C 2.141 178.342 176.300 -0.165 0.000 0.978 144 D CA 1.080 54.965 54.000 -0.192 0.000 0.833 144 D CB -0.062 40.697 40.800 -0.069 0.000 0.961 144 D HN 0.340 nan 8.370 nan 0.000 0.470 145 L N 0.634 121.878 121.223 0.036 0.000 2.141 145 L HA -0.135 4.205 4.340 -0.000 0.000 0.209 145 L C 2.474 179.357 176.870 0.021 0.000 1.094 145 L CA 0.990 55.906 54.840 0.126 0.000 0.763 145 L CB -0.432 41.695 42.059 0.113 0.000 0.908 145 L HN 0.009 nan 8.230 nan 0.000 0.437 146 T N -0.038 114.472 114.554 -0.074 0.000 2.737 146 T HA -0.103 4.247 4.350 -0.000 0.000 0.265 146 T C 1.918 176.442 174.700 -0.293 0.000 1.038 146 T CA 1.171 63.170 62.100 -0.168 0.000 1.144 146 T CB -0.121 68.660 68.868 -0.145 0.000 0.866 146 T HN 0.163 nan 8.240 nan 0.000 0.434 147 I N 0.341 120.704 120.570 -0.345 0.000 2.226 147 I HA -0.152 4.018 4.170 -0.000 0.000 0.245 147 I C 1.976 177.793 176.117 -0.500 0.000 1.100 147 I CA 1.336 62.341 61.300 -0.492 0.000 1.374 147 I CB -0.324 37.333 38.000 -0.572 0.000 1.057 147 I HN 0.151 nan 8.210 nan 0.000 0.413 148 F N 0.208 120.069 119.950 -0.148 0.000 2.171 148 F HA -0.204 4.323 4.527 -0.000 0.000 0.300 148 F C 2.916 178.691 175.800 -0.043 0.000 1.090 148 F CA 1.367 59.357 58.000 -0.017 0.000 1.293 148 F CB -1.261 37.766 39.000 0.044 0.000 1.013 148 F HN 0.009 nan 8.300 nan 0.000 0.486 149 S N 0.237 115.985 115.700 0.079 0.000 2.374 149 S HA -0.182 4.288 4.470 -0.000 0.000 0.227 149 S C 2.151 176.699 174.600 -0.087 0.000 1.037 149 S CA 1.315 59.536 58.200 0.034 0.000 1.024 149 S CB -0.408 62.788 63.200 -0.006 0.000 0.861 149 S HN 0.351 nan 8.310 nan 0.000 0.456 150 L N -0.080 120.962 121.223 -0.301 0.000 2.109 150 L HA -0.036 4.304 4.340 -0.000 0.000 0.207 150 L C 2.376 179.098 176.870 -0.247 0.000 1.086 150 L CA 1.399 55.959 54.840 -0.466 0.000 0.760 150 L CB -0.707 40.981 42.059 -0.618 0.000 0.910 150 L HN 0.453 nan 8.230 nan 0.000 0.437 151 H N -0.041 118.963 119.070 -0.110 0.000 2.319 151 H HA -0.174 4.382 4.556 -0.000 0.000 0.299 151 H C 2.332 177.646 175.328 -0.022 0.000 1.092 151 H CA 1.369 57.393 56.048 -0.039 0.000 1.302 151 H CB 0.060 29.870 29.762 0.080 0.000 1.373 151 H HN 0.213 nan 8.280 nan 0.000 0.497 152 L N -0.149 121.160 121.223 0.143 0.000 2.141 152 L HA -0.100 4.240 4.340 -0.000 0.000 0.209 152 L C 2.781 179.687 176.870 0.060 0.000 1.094 152 L CA 0.699 55.594 54.840 0.091 0.000 0.763 152 L CB -0.455 41.658 42.059 0.091 0.000 0.908 152 L HN 0.332 nan 8.230 nan 0.000 0.437 153 A N 0.467 123.305 122.820 0.031 0.000 1.968 153 A HA -0.015 4.305 4.320 -0.000 0.000 0.217 153 A C 2.394 179.997 177.584 0.031 0.000 1.169 153 A CA 1.417 53.467 52.037 0.022 0.000 0.638 153 A CB -0.897 18.041 19.000 -0.104 0.000 0.812 153 A HN 0.411 nan 8.150 nan 0.000 0.446 154 G N -0.622 108.174 108.800 -0.007 0.000 2.403 154 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.216 154 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.216 154 G C 1.465 176.393 174.900 0.047 0.000 1.154 154 G CA 1.114 46.222 45.100 0.015 0.000 0.784 154 G HN 0.274 nan 8.290 nan 0.000 0.538 155 V N 0.943 120.884 119.914 0.045 0.000 2.358 155 V HA -0.181 3.939 4.120 -0.000 0.000 0.246 155 V C 3.033 179.160 176.094 0.056 0.000 1.047 155 V CA 2.160 64.484 62.300 0.040 0.000 1.035 155 V CB -0.370 31.469 31.823 0.026 0.000 0.658 155 V HN 0.490 nan 8.190 nan 0.000 0.452 156 S N -0.137 115.600 115.700 0.062 0.000 2.365 156 S HA -0.253 4.217 4.470 -0.000 0.000 0.225 156 S C 2.204 176.876 174.600 0.120 0.000 1.039 156 S CA 2.414 60.664 58.200 0.082 0.000 1.033 156 S CB -0.351 62.892 63.200 0.070 0.000 0.887 156 S HN 0.600 nan 8.310 nan 0.000 0.447 157 S N 0.727 116.500 115.700 0.122 0.000 2.402 157 S HA 0.130 4.600 4.470 -0.000 0.000 0.229 157 S C 1.734 176.412 174.600 0.130 0.000 1.021 157 S CA 1.125 59.408 58.200 0.138 0.000 0.974 157 S CB -0.346 62.938 63.200 0.139 0.000 0.800 157 S HN 0.531 nan 8.310 nan 0.000 0.484 158 I N 1.172 121.805 120.570 0.105 0.000 2.286 158 I HA -0.129 4.041 4.170 -0.000 0.000 0.245 158 I C 1.894 178.066 176.117 0.092 0.000 1.104 158 I CA 0.979 62.335 61.300 0.094 0.000 1.397 158 I CB -0.240 37.800 38.000 0.067 0.000 1.072 158 I HN 0.234 nan 8.210 nan 0.000 0.417 159 L N 0.168 121.440 121.223 0.081 0.000 2.093 159 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 159 L C 2.675 179.611 176.870 0.110 0.000 1.085 159 L CA 1.387 56.270 54.840 0.072 0.000 0.755 159 L CB -1.159 40.931 42.059 0.052 0.000 0.904 159 L HN 0.302 nan 8.230 nan 0.000 0.435 160 G N -0.144 108.742 108.800 0.144 0.000 2.442 160 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.219 160 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.219 160 G C 1.770 176.840 174.900 0.283 0.000 1.141 160 G CA 0.873 46.089 45.100 0.194 0.000 0.763 160 G HN 0.464 nan 8.290 nan 0.000 0.554 161 A N 0.622 123.582 122.820 0.235 0.000 1.898 161 A HA 0.118 4.438 4.320 -0.000 0.000 0.216 161 A C 2.396 180.095 177.584 0.192 0.000 1.181 161 A CA 1.136 53.308 52.037 0.226 0.000 0.620 161 A CB -0.309 18.782 19.000 0.151 0.000 0.819 161 A HN 0.366 nan 8.150 nan 0.000 0.442 162 I N -0.160 120.501 120.570 0.153 0.000 2.226 162 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 162 I C 2.458 178.695 176.117 0.201 0.000 1.100 162 I CA 1.203 62.594 61.300 0.152 0.000 1.374 162 I CB -0.426 37.644 38.000 0.115 0.000 1.057 162 I HN 0.345 nan 8.210 nan 0.000 0.413 163 N N 1.031 119.838 118.700 0.178 0.000 2.036 163 N HA -0.206 4.534 4.740 -0.000 0.000 0.195 163 N C 1.900 177.335 175.510 -0.126 0.000 1.037 163 N CA 1.860 54.940 53.050 0.050 0.000 0.855 163 N CB -0.320 38.103 38.487 -0.107 0.000 1.033 163 N HN 0.227 nan 8.380 nan 0.000 0.423 164 F N 0.854 120.796 119.950 -0.013 0.000 2.146 164 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 164 F C 2.357 178.105 175.800 -0.088 0.000 1.096 164 F CA 0.545 58.502 58.000 -0.072 0.000 1.275 164 F CB -0.192 38.765 39.000 -0.072 0.000 1.008 164 F HN 0.002 nan 8.300 nan 0.000 0.480 165 I N -0.585 120.070 120.570 0.142 0.000 2.226 165 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 165 I C 2.253 178.362 176.117 -0.012 0.000 1.100 165 I CA 1.509 62.839 61.300 0.050 0.000 1.374 165 I CB -0.722 37.314 38.000 0.060 0.000 1.057 165 I HN 0.086 nan 8.210 nan 0.000 0.413 166 T N -0.266 114.279 114.554 -0.014 0.000 2.821 166 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 166 T C 1.917 176.510 174.700 -0.178 0.000 1.046 166 T CA 1.902 63.954 62.100 -0.081 0.000 1.139 166 T CB -0.303 68.510 68.868 -0.092 0.000 0.871 166 T HN 0.359 nan 8.240 nan 0.000 0.454 167 T N 1.989 116.416 114.554 -0.211 0.000 2.737 167 T HA 0.065 4.415 4.350 -0.000 0.000 0.265 167 T C 1.971 176.562 174.700 -0.182 0.000 1.038 167 T CA 0.876 62.831 62.100 -0.241 0.000 1.144 167 T CB -0.358 68.358 68.868 -0.254 0.000 0.866 167 T HN 0.294 nan 8.240 nan 0.000 0.434 168 I N 0.609 121.095 120.570 -0.141 0.000 2.394 168 I HA -0.104 4.066 4.170 -0.000 0.000 0.251 168 I C 1.944 177.942 176.117 -0.199 0.000 1.136 168 I CA 0.826 62.026 61.300 -0.167 0.000 1.425 168 I CB -0.139 37.764 38.000 -0.161 0.000 1.079 168 I HN 0.213 nan 8.210 nan 0.000 0.425 169 I N 0.151 120.620 120.570 -0.167 0.000 2.703 169 I HA -0.133 4.037 4.170 -0.000 0.000 0.259 169 I C 1.952 177.986 176.117 -0.139 0.000 1.151 169 I CA 1.305 62.510 61.300 -0.158 0.000 1.470 169 I CB -1.084 36.850 38.000 -0.110 0.000 1.112 169 I HN 0.282 nan 8.210 nan 0.000 0.437 170 N N 0.421 119.037 118.700 -0.140 0.000 2.368 170 N HA 0.093 4.833 4.740 -0.000 0.000 0.178 170 N C 1.143 176.568 175.510 -0.141 0.000 1.076 170 N CA 0.450 53.423 53.050 -0.129 0.000 0.889 170 N CB 0.307 38.717 38.487 -0.129 0.000 1.040 170 N HN 0.103 nan 8.380 nan 0.000 0.463 171 M N 0.269 119.769 119.600 -0.166 0.000 2.673 171 M HA 0.233 4.713 4.480 -0.000 0.000 0.334 171 M C -0.414 175.783 176.300 -0.171 0.000 1.211 171 M CA -0.194 55.004 55.300 -0.170 0.000 0.962 171 M CB 0.674 33.156 32.600 -0.198 0.000 1.343 171 M HN -0.137 nan 8.290 nan 0.000 0.511 172 K N 1.201 121.507 120.400 -0.158 0.000 2.107 172 K HA 0.394 4.714 4.320 -0.000 0.000 0.251 172 K C -2.372 174.148 176.600 -0.133 0.000 1.012 172 K CA -1.655 54.539 56.287 -0.154 0.000 0.920 172 K CB 0.020 32.434 32.500 -0.143 0.000 1.033 172 K HN -0.117 nan 8.250 nan 0.000 0.478 173 P HA -0.024 nan 4.420 nan 0.000 0.265 173 P C -2.091 175.153 177.300 -0.094 0.000 1.193 173 P CA -0.873 62.164 63.100 -0.104 0.000 0.765 173 P CB 0.098 31.742 31.700 -0.092 0.000 0.823 174 P HA -0.215 nan 4.420 nan 0.000 0.216 174 P C 1.041 178.298 177.300 -0.072 0.000 1.150 174 P CA 1.696 64.749 63.100 -0.078 0.000 0.843 174 P CB -0.307 31.348 31.700 -0.075 0.000 0.787 175 A N -1.183 121.588 122.820 -0.081 0.000 2.168 175 A HA 0.008 4.328 4.320 -0.000 0.000 0.215 175 A C 1.369 178.926 177.584 -0.045 0.000 1.152 175 A CA 0.170 52.168 52.037 -0.065 0.000 0.716 175 A CB -1.004 17.945 19.000 -0.084 0.000 0.794 175 A HN 0.221 nan 8.150 nan 0.000 0.465 176 M N 1.803 121.372 119.600 -0.052 0.000 2.120 176 M HA 0.317 4.797 4.480 -0.000 0.000 0.354 176 M C 0.402 176.678 176.300 -0.040 0.000 1.287 176 M CA -0.252 55.026 55.300 -0.037 0.000 1.103 176 M CB 0.754 33.325 32.600 -0.048 0.000 1.623 176 M HN 0.364 nan 8.290 nan 0.000 0.471 177 S N 3.367 119.063 115.700 -0.007 0.000 2.632 177 S HA 0.136 4.606 4.470 -0.000 0.000 0.267 177 S C 0.708 175.255 174.600 -0.089 0.000 1.276 177 S CA -0.436 57.749 58.200 -0.024 0.000 0.998 177 S CB 1.461 64.710 63.200 0.082 0.000 0.953 177 S HN 0.872 nan 8.310 nan 0.000 0.547 178 Q N 0.248 119.895 119.800 -0.256 0.000 2.197 178 Q HA -0.105 4.235 4.340 -0.000 0.000 0.207 178 Q C 0.845 176.801 176.000 -0.074 0.000 0.984 178 Q CA 1.970 57.532 55.803 -0.402 0.000 0.869 178 Q CB -0.692 27.655 28.738 -0.652 0.000 0.906 178 Q HN 0.888 nan 8.270 nan 0.000 0.426 179 Y N -0.559 119.992 120.300 0.419 0.000 2.553 179 Y HA 0.088 4.638 4.550 -0.000 0.000 0.303 179 Y C 0.779 176.861 175.900 0.304 0.000 1.194 179 Y CA 0.374 58.802 58.100 0.547 0.000 1.305 179 Y CB -0.037 38.648 38.460 0.374 0.000 1.045 179 Y HN 0.172 nan 8.280 nan 0.000 0.514 180 Q N -0.155 119.805 119.800 0.268 0.000 2.155 180 Q HA 0.133 4.473 4.340 -0.000 0.000 0.220 180 Q C 0.252 176.339 176.000 0.144 0.000 0.819 180 Q CA -0.179 55.692 55.803 0.114 0.000 1.032 180 Q CB 0.714 29.483 28.738 0.051 0.000 1.151 180 Q HN 0.297 nan 8.270 nan 0.000 0.487 181 T N -2.300 112.410 114.554 0.259 0.000 2.928 181 T HA 0.541 4.891 4.350 -0.000 0.000 0.284 181 T C -2.604 172.349 174.700 0.420 0.000 1.008 181 T CA -2.323 59.886 62.100 0.182 0.000 1.057 181 T CB 1.628 70.449 68.868 -0.077 0.000 1.018 181 T HN -0.234 nan 8.240 nan 0.000 0.493 182 P HA 0.196 nan 4.420 nan 0.000 0.270 182 P C 1.010 178.711 177.300 0.668 0.000 1.223 182 P CA -0.489 62.935 63.100 0.539 0.000 0.785 182 P CB 0.441 32.487 31.700 0.577 0.000 0.923 183 L N 0.538 122.175 121.223 0.690 0.000 2.131 183 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 183 L C 2.114 179.348 176.870 0.606 0.000 1.092 183 L CA 1.354 56.548 54.840 0.590 0.000 0.759 183 L CB -0.588 41.715 42.059 0.407 0.000 0.903 183 L HN 0.400 nan 8.230 nan 0.000 0.435 184 F N 0.304 120.599 119.950 0.574 0.000 2.146 184 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 184 F C 2.221 178.111 175.800 0.149 0.000 1.096 184 F CA 1.343 59.472 58.000 0.216 0.000 1.275 184 F CB -0.368 38.520 39.000 -0.187 0.000 1.008 184 F HN -0.250 nan 8.300 nan 0.000 0.480 185 V N -0.640 119.325 119.914 0.083 0.000 2.287 185 V HA -0.349 3.771 4.120 -0.000 0.000 0.248 185 V C 2.178 178.184 176.094 -0.148 0.000 1.053 185 V CA 2.185 64.408 62.300 -0.128 0.000 1.027 185 V CB -1.238 30.557 31.823 -0.046 0.000 0.646 185 V HN 0.509 nan 8.190 nan 0.000 0.447 186 W N 0.904 122.193 121.300 -0.018 0.000 2.321 186 W HA -0.277 4.383 4.660 -0.000 0.000 0.306 186 W C 3.056 179.530 176.519 -0.075 0.000 1.217 186 W CA 2.185 59.516 57.345 -0.025 0.000 1.257 186 W CB -0.515 28.953 29.460 0.014 0.000 1.145 186 W HN 0.399 nan 8.180 nan 0.000 0.509 187 S N -0.492 115.302 115.700 0.158 0.000 2.368 187 S HA -0.179 4.291 4.470 -0.000 0.000 0.225 187 S C 1.710 176.222 174.600 -0.146 0.000 1.030 187 S CA 1.613 59.840 58.200 0.045 0.000 0.999 187 S CB -0.995 62.263 63.200 0.096 0.000 0.844 187 S HN 0.061 nan 8.310 nan 0.000 0.459 188 V N 1.910 121.586 119.914 -0.397 0.000 2.379 188 V HA -0.083 4.037 4.120 -0.000 0.000 0.245 188 V C 2.628 178.553 176.094 -0.282 0.000 1.044 188 V CA 2.062 64.063 62.300 -0.498 0.000 1.036 188 V CB -0.758 30.573 31.823 -0.821 0.000 0.664 188 V HN 0.581 nan 8.190 nan 0.000 0.453 189 M N -0.392 119.104 119.600 -0.173 0.000 2.086 189 M HA -0.187 4.293 4.480 -0.000 0.000 0.261 189 M C 2.067 178.375 176.300 0.013 0.000 1.067 189 M CA 2.123 57.378 55.300 -0.074 0.000 1.116 189 M CB -0.215 32.320 32.600 -0.109 0.000 1.348 189 M HN 0.249 nan 8.290 nan 0.000 0.407 190 I N -0.597 120.017 120.570 0.074 0.000 2.252 190 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 190 I C 2.145 178.304 176.117 0.070 0.000 1.102 190 I CA 1.451 62.820 61.300 0.116 0.000 1.385 190 I CB -0.717 37.386 38.000 0.171 0.000 1.064 190 I HN 0.328 nan 8.210 nan 0.000 0.414 191 T N 0.932 115.489 114.554 0.005 0.000 2.684 191 T HA -0.227 4.123 4.350 -0.000 0.000 0.267 191 T C 2.085 176.784 174.700 -0.002 0.000 1.036 191 T CA 1.626 63.712 62.100 -0.023 0.000 1.148 191 T CB -0.394 68.410 68.868 -0.107 0.000 0.863 191 T HN 0.494 nan 8.240 nan 0.000 0.436 192 A N 0.908 123.715 122.820 -0.021 0.000 1.908 192 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 192 A C 2.599 180.234 177.584 0.086 0.000 1.181 192 A CA 1.499 53.559 52.037 0.038 0.000 0.627 192 A CB -1.053 17.985 19.000 0.064 0.000 0.818 192 A HN 0.369 nan 8.150 nan 0.000 0.445 193 V N 0.323 120.292 119.914 0.092 0.000 2.407 193 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 193 V C 2.528 178.727 176.094 0.175 0.000 1.055 193 V CA 1.869 64.240 62.300 0.118 0.000 1.049 193 V CB -0.733 31.162 31.823 0.121 0.000 0.662 193 V HN 0.572 nan 8.190 nan 0.000 0.455 194 L N -0.929 120.413 121.223 0.197 0.000 2.093 194 L HA -0.156 4.184 4.340 -0.000 0.000 0.208 194 L C 2.410 179.420 176.870 0.232 0.000 1.085 194 L CA 1.429 56.436 54.840 0.279 0.000 0.755 194 L CB -0.587 41.554 42.059 0.137 0.000 0.904 194 L HN 0.311 nan 8.230 nan 0.000 0.435 195 L N -0.479 120.835 121.223 0.152 0.000 2.056 195 L HA -0.228 4.112 4.340 -0.000 0.000 0.207 195 L C 2.569 179.543 176.870 0.173 0.000 1.078 195 L CA 0.855 55.789 54.840 0.156 0.000 0.749 195 L CB -0.346 41.785 42.059 0.119 0.000 0.901 195 L HN 0.236 nan 8.230 nan 0.000 0.433 196 L N -0.440 120.874 121.223 0.152 0.000 2.093 196 L HA -0.170 4.170 4.340 -0.000 0.000 0.208 196 L C 2.197 179.148 176.870 0.135 0.000 1.085 196 L CA 1.655 56.569 54.840 0.125 0.000 0.755 196 L CB -0.155 41.965 42.059 0.102 0.000 0.904 196 L HN 0.115 nan 8.230 nan 0.000 0.435 197 L N -1.348 119.980 121.223 0.176 0.000 2.209 197 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 197 L C 2.403 179.460 176.870 0.311 0.000 1.094 197 L CA 1.047 55.994 54.840 0.180 0.000 0.790 197 L CB -0.550 41.527 42.059 0.029 0.000 0.932 197 L HN 0.447 nan 8.230 nan 0.000 0.447 198 S N -0.933 114.989 115.700 0.371 0.000 2.499 198 S HA 0.077 4.547 4.470 -0.000 0.000 0.225 198 S C 1.873 176.698 174.600 0.375 0.000 1.050 198 S CA -0.145 58.305 58.200 0.417 0.000 0.928 198 S CB -0.321 63.049 63.200 0.283 0.000 0.803 198 S HN 0.242 nan 8.310 nan 0.000 0.506 199 L N 1.726 123.119 121.223 0.282 0.000 2.083 199 L HA 0.035 4.375 4.340 -0.000 0.000 0.209 199 L C -0.883 175.994 176.870 0.013 0.000 1.083 199 L CA 1.158 56.055 54.840 0.095 0.000 0.752 199 L CB -1.387 40.728 42.059 0.094 0.000 0.899 199 L HN 0.301 nan 8.230 nan 0.000 0.433 200 P HA -0.070 nan 4.420 nan 0.000 0.226 200 P C 1.751 179.054 177.300 0.005 0.000 1.153 200 P CA 0.808 63.922 63.100 0.024 0.000 0.777 200 P CB 0.143 31.863 31.700 0.033 0.000 0.794 201 V N -0.414 119.528 119.914 0.046 0.000 2.407 201 V HA -0.155 3.965 4.120 -0.000 0.000 0.245 201 V C 2.336 178.396 176.094 -0.057 0.000 1.041 201 V CA 1.073 63.383 62.300 0.017 0.000 1.040 201 V CB -1.158 30.750 31.823 0.141 0.000 0.671 201 V HN 0.044 nan 8.190 nan 0.000 0.455 202 L N 1.414 122.563 121.223 -0.124 0.000 1.990 202 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 202 L C 2.507 179.247 176.870 -0.216 0.000 1.072 202 L CA 2.631 57.265 54.840 -0.343 0.000 0.755 202 L CB -0.997 40.521 42.059 -0.902 0.000 0.889 202 L HN 0.232 nan 8.230 nan 0.000 0.432 203 A N -0.606 122.130 122.820 -0.139 0.000 1.948 203 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 203 A C 2.440 180.041 177.584 0.029 0.000 1.177 203 A CA 2.223 54.261 52.037 0.001 0.000 0.636 203 A CB -1.274 17.753 19.000 0.046 0.000 0.815 203 A HN 0.659 nan 8.150 nan 0.000 0.449 204 A N -0.664 122.138 122.820 -0.029 0.000 1.898 204 A HA 0.164 4.484 4.320 -0.000 0.000 0.216 204 A C 2.421 179.973 177.584 -0.052 0.000 1.181 204 A CA 1.884 53.890 52.037 -0.052 0.000 0.620 204 A CB -1.346 17.604 19.000 -0.083 0.000 0.819 204 A HN 0.720 nan 8.150 nan 0.000 0.442 205 G N 0.848 109.623 108.800 -0.042 0.000 2.421 205 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.216 205 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.216 205 G C 1.532 176.531 174.900 0.165 0.000 1.171 205 G CA 1.234 46.354 45.100 0.033 0.000 0.775 205 G HN 0.825 nan 8.290 nan 0.000 0.543 206 I N -1.511 119.101 120.570 0.070 0.000 2.546 206 I HA -0.003 4.167 4.170 -0.000 0.000 0.255 206 I C 2.344 178.482 176.117 0.036 0.000 1.163 206 I CA 1.550 62.879 61.300 0.049 0.000 1.457 206 I CB -0.730 37.175 38.000 -0.158 0.000 1.092 206 I HN -0.066 nan 8.210 nan 0.000 0.434 207 T N 1.402 116.010 114.554 0.091 0.000 2.821 207 T HA -0.035 4.315 4.350 -0.000 0.000 0.267 207 T C 1.895 176.628 174.700 0.057 0.000 1.046 207 T CA 1.785 63.955 62.100 0.116 0.000 1.139 207 T CB -0.200 68.729 68.868 0.101 0.000 0.871 207 T HN 0.344 nan 8.240 nan 0.000 0.454 208 M N 0.126 119.723 119.600 -0.005 0.000 2.254 208 M HA 0.062 4.542 4.480 -0.000 0.000 0.265 208 M C 2.155 178.576 176.300 0.203 0.000 1.066 208 M CA 0.879 56.089 55.300 -0.150 0.000 1.123 208 M CB -0.275 31.927 32.600 -0.663 0.000 1.388 208 M HN 0.166 nan 8.290 nan 0.000 0.425 209 L N 0.571 122.032 121.223 0.396 0.000 2.017 209 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 209 L C 2.140 179.099 176.870 0.148 0.000 1.073 209 L CA 1.636 56.688 54.840 0.354 0.000 0.745 209 L CB -0.781 41.405 42.059 0.211 0.000 0.894 209 L HN 0.207 nan 8.230 nan 0.000 0.432 210 L N -0.641 120.620 121.223 0.063 0.000 2.042 210 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 210 L C 2.586 179.497 176.870 0.069 0.000 1.076 210 L CA 2.564 57.407 54.840 0.005 0.000 0.749 210 L CB -0.924 41.108 42.059 -0.044 0.000 0.893 210 L HN 0.644 nan 8.230 nan 0.000 0.432 211 T N -4.758 109.866 114.554 0.118 0.000 2.857 211 T HA -0.138 4.212 4.350 -0.000 0.000 0.266 211 T C 1.663 176.435 174.700 0.120 0.000 1.048 211 T CA 1.084 63.264 62.100 0.134 0.000 1.139 211 T CB -0.656 68.326 68.868 0.191 0.000 0.874 211 T HN 0.267 nan 8.240 nan 0.000 0.455 212 D N 1.409 121.902 120.400 0.155 0.000 2.158 212 D HA -0.040 4.600 4.640 -0.000 0.000 0.197 212 D C 2.416 178.765 176.300 0.080 0.000 0.995 212 D CA 1.002 55.068 54.000 0.110 0.000 0.846 212 D CB -0.207 40.696 40.800 0.172 0.000 0.941 212 D HN 0.450 nan 8.370 nan 0.000 0.456 213 R N -0.450 120.098 120.500 0.080 0.000 2.153 213 R HA 0.141 4.481 4.340 -0.000 0.000 0.218 213 R C 1.108 177.438 176.300 0.049 0.000 1.072 213 R CA 0.705 56.839 56.100 0.056 0.000 0.990 213 R CB 0.229 30.551 30.300 0.036 0.000 0.889 213 R HN 0.181 nan 8.270 nan 0.000 0.452 214 N N -1.057 117.676 118.700 0.055 0.000 2.166 214 N HA 0.112 4.852 4.740 -0.000 0.000 0.222 214 N C 0.566 176.106 175.510 0.050 0.000 1.282 214 N CA 0.221 53.304 53.050 0.055 0.000 0.890 214 N CB 1.187 39.715 38.487 0.069 0.000 1.114 214 N HN 0.079 nan 8.380 nan 0.000 0.494 215 L N 0.773 122.025 121.223 0.048 0.000 3.069 215 L HA 0.299 4.639 4.340 -0.000 0.000 0.271 215 L C -0.092 176.785 176.870 0.012 0.000 1.201 215 L CA -0.011 54.850 54.840 0.036 0.000 1.015 215 L CB 0.097 42.186 42.059 0.050 0.000 1.371 215 L HN -0.071 nan 8.230 nan 0.000 0.574 216 N N 0.291 118.995 118.700 0.006 0.000 2.800 216 N HA -0.138 4.602 4.740 -0.000 0.000 0.250 216 N C 0.583 176.058 175.510 -0.060 0.000 1.078 216 N CA 1.377 54.415 53.050 -0.019 0.000 0.804 216 N CB -1.322 37.156 38.487 -0.016 0.000 1.135 216 N HN 0.574 nan 8.380 nan 0.000 0.565 217 T N -2.104 112.407 114.554 -0.070 0.000 2.813 217 T HA 0.450 4.800 4.350 -0.000 0.000 0.297 217 T C 1.119 175.700 174.700 -0.199 0.000 1.036 217 T CA 0.487 62.464 62.100 -0.205 0.000 1.044 217 T CB 1.498 70.205 68.868 -0.268 0.000 0.993 217 T HN 0.290 nan 8.240 nan 0.000 0.535 218 T N -1.395 112.947 114.554 -0.353 0.000 3.823 218 T HA 0.320 4.670 4.350 -0.000 0.000 0.261 218 T C 0.639 175.145 174.700 -0.323 0.000 0.983 218 T CA -0.708 61.256 62.100 -0.227 0.000 1.151 218 T CB -0.983 67.799 68.868 -0.144 0.000 1.062 218 T HN 0.480 nan 8.240 nan 0.000 0.542 219 F N 0.668 120.417 119.950 -0.334 0.000 2.154 219 F HA 0.036 4.563 4.527 -0.000 0.000 0.301 219 F C 1.288 176.800 175.800 -0.480 0.000 1.087 219 F CA 1.355 59.004 58.000 -0.586 0.000 1.274 219 F CB -0.293 37.991 39.000 -1.193 0.000 1.009 219 F HN 0.390 nan 8.300 nan 0.000 0.485 220 F N -1.699 118.371 119.950 0.201 0.000 2.688 220 F HA 0.221 4.748 4.527 -0.000 0.000 0.310 220 F C 0.055 175.898 175.800 0.072 0.000 1.098 220 F CA -0.781 57.301 58.000 0.137 0.000 1.228 220 F CB -0.055 39.019 39.000 0.124 0.000 1.042 220 F HN -0.278 nan 8.300 nan 0.000 0.557 221 D N 1.219 121.713 120.400 0.157 0.000 2.440 221 D HA 0.289 4.928 4.640 -0.000 0.000 0.239 221 D C -2.086 174.248 176.300 0.057 0.000 1.084 221 D CA -2.522 51.535 54.000 0.095 0.000 0.843 221 D CB 2.215 43.048 40.800 0.055 0.000 1.097 221 D HN -0.146 nan 8.370 nan 0.000 0.531 222 P HA -0.110 nan 4.420 nan 0.000 0.218 222 P C 1.009 178.326 177.300 0.028 0.000 1.146 222 P CA 1.040 64.170 63.100 0.050 0.000 0.813 222 P CB 0.236 31.968 31.700 0.053 0.000 0.778 223 A N -0.251 122.582 122.820 0.022 0.000 2.019 223 A HA -0.010 4.310 4.320 -0.000 0.000 0.219 223 A C 2.200 179.780 177.584 -0.006 0.000 1.164 223 A CA 1.788 53.831 52.037 0.009 0.000 0.644 223 A CB -1.507 17.498 19.000 0.009 0.000 0.805 223 A HN 0.320 nan 8.150 nan 0.000 0.449 224 G N -2.398 106.391 108.800 -0.019 0.000 3.337 224 G HA2 0.407 4.367 3.960 -0.000 0.000 0.246 224 G HA3 0.407 4.367 3.960 -0.000 0.000 0.246 224 G C 1.007 175.883 174.900 -0.041 0.000 1.131 224 G CA 0.417 45.491 45.100 -0.045 0.000 0.773 224 G HN 1.551 nan 8.290 nan 0.000 0.544 225 G N -1.070 107.722 108.800 -0.013 0.000 2.157 225 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.248 225 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.248 225 G C 0.804 175.711 174.900 0.012 0.000 0.979 225 G CA 0.248 45.347 45.100 -0.001 0.000 0.650 225 G HN 0.995 nan 8.290 nan 0.000 0.529 226 G N -0.958 107.850 108.800 0.012 0.000 2.563 226 G HA2 0.516 4.476 3.960 -0.000 0.000 0.283 226 G HA3 0.516 4.476 3.960 -0.000 0.000 0.283 226 G C -0.706 174.268 174.900 0.123 0.000 1.309 226 G CA 0.539 45.670 45.100 0.052 0.000 1.022 226 G HN 0.530 nan 8.290 nan 0.000 0.501 227 D N -1.343 119.186 120.400 0.215 0.000 2.452 227 D HA 0.296 4.936 4.640 -0.000 0.000 0.226 227 D C -2.037 174.449 176.300 0.310 0.000 1.366 227 D CA -1.457 52.672 54.000 0.216 0.000 0.986 227 D CB 1.969 42.888 40.800 0.199 0.000 1.420 227 D HN -0.048 nan 8.370 nan 0.000 0.583 228 P HA -0.108 nan 4.420 nan 0.000 0.218 228 P C 1.555 178.857 177.300 0.003 0.000 1.146 228 P CA 0.490 63.646 63.100 0.094 0.000 0.813 228 P CB 0.365 32.078 31.700 0.022 0.000 0.778 229 I N -1.415 119.185 120.570 0.052 0.000 2.439 229 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 229 I C 2.158 178.328 176.117 0.088 0.000 1.139 229 I CA 0.617 61.916 61.300 -0.001 0.000 1.438 229 I CB -1.695 36.336 38.000 0.051 0.000 1.085 229 I HN -0.033 nan 8.210 nan 0.000 0.427 230 L N 0.616 121.989 121.223 0.251 0.000 2.043 230 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 230 L C 2.608 179.606 176.870 0.215 0.000 1.075 230 L CA 1.956 57.004 54.840 0.345 0.000 0.752 230 L CB -1.183 41.141 42.059 0.442 0.000 0.891 230 L HN 0.300 nan 8.230 nan 0.000 0.432 231 Y N 0.138 120.348 120.300 -0.149 0.000 2.165 231 Y HA -0.309 4.241 4.550 -0.000 0.000 0.286 231 Y C 2.577 178.327 175.900 -0.249 0.000 1.155 231 Y CA 2.321 60.069 58.100 -0.587 0.000 1.164 231 Y CB -0.285 37.408 38.460 -1.278 0.000 0.978 231 Y HN 0.397 nan 8.280 nan 0.000 0.513 232 Q N -1.182 118.500 119.800 -0.196 0.000 2.119 232 Q HA -0.218 4.122 4.340 -0.000 0.000 0.201 232 Q C 2.084 178.122 176.000 0.062 0.000 0.972 232 Q CA 1.366 57.083 55.803 -0.143 0.000 0.847 232 Q CB -0.288 28.294 28.738 -0.260 0.000 0.903 232 Q HN 0.637 nan 8.270 nan 0.000 0.433 233 H N 0.511 119.666 119.070 0.141 0.000 2.321 233 H HA -0.097 4.459 4.556 -0.000 0.000 0.300 233 H C 2.212 177.527 175.328 -0.022 0.000 1.087 233 H CA 1.209 57.385 56.048 0.214 0.000 1.319 233 H CB -0.115 29.780 29.762 0.223 0.000 1.379 233 H HN 0.215 nan 8.280 nan 0.000 0.501 234 L N -0.653 120.574 121.223 0.007 0.000 2.027 234 L HA -0.155 4.185 4.340 -0.000 0.000 0.206 234 L C 2.547 179.323 176.870 -0.157 0.000 1.074 234 L CA 0.977 55.751 54.840 -0.110 0.000 0.745 234 L CB -0.578 41.393 42.059 -0.147 0.000 0.898 234 L HN 0.088 nan 8.230 nan 0.000 0.433 235 F N -0.162 119.488 119.950 -0.500 0.000 2.095 235 F HA -0.251 4.276 4.527 -0.000 0.000 0.298 235 F C 2.005 177.590 175.800 -0.358 0.000 1.104 235 F CA 1.626 59.293 58.000 -0.554 0.000 1.232 235 F CB -0.339 38.115 39.000 -0.909 0.000 0.987 235 F HN -0.021 nan 8.300 nan 0.000 0.475 236 W N -1.378 119.962 121.300 0.067 0.000 2.584 236 W HA -0.062 4.598 4.660 -0.000 0.000 0.264 236 W C 2.182 178.658 176.519 -0.071 0.000 1.264 236 W CA 0.295 57.658 57.345 0.031 0.000 1.306 236 W CB -0.529 29.101 29.460 0.282 0.000 1.110 236 W HN 0.071 nan 8.180 nan 0.000 0.606 237 F N -0.028 119.815 119.950 -0.178 0.000 2.216 237 F HA -0.231 4.296 4.527 -0.000 0.000 0.300 237 F C 2.158 177.871 175.800 -0.146 0.000 1.085 237 F CA 1.668 59.443 58.000 -0.375 0.000 1.326 237 F CB -0.489 38.145 39.000 -0.609 0.000 1.027 237 F HN -0.032 nan 8.300 nan 0.000 0.497 238 F N 0.140 119.953 119.950 -0.228 0.000 2.270 238 F HA 0.226 4.753 4.527 -0.000 0.000 0.295 238 F C 2.160 177.741 175.800 -0.365 0.000 1.087 238 F CA 1.377 59.200 58.000 -0.295 0.000 1.365 238 F CB -1.062 37.728 39.000 -0.349 0.000 1.056 238 F HN -0.127 nan 8.300 nan 0.000 0.506 239 G N -1.123 107.118 108.800 -0.931 0.000 2.448 239 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 239 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 239 G C 1.359 176.032 174.900 -0.379 0.000 1.135 239 G CA 0.912 45.419 45.100 -0.988 0.000 0.784 239 G HN 0.536 nan 8.290 nan 0.000 0.543 240 H N 1.704 120.717 119.070 -0.095 0.000 2.276 240 H HA 0.011 4.567 4.556 -0.000 0.000 0.301 240 H C 0.184 175.449 175.328 -0.106 0.000 1.073 240 H CA 1.615 57.688 56.048 0.043 0.000 1.311 240 H CB -0.602 29.284 29.762 0.206 0.000 1.379 240 H HN 0.205 nan 8.280 nan 0.000 0.494 241 P HA -0.219 nan 4.420 nan 0.000 0.218 241 P C 1.244 178.291 177.300 -0.421 0.000 1.154 241 P CA 2.250 65.081 63.100 -0.448 0.000 0.872 241 P CB -0.005 31.243 31.700 -0.754 0.000 0.790 242 E N -0.179 119.622 120.200 -0.666 0.000 2.110 242 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 242 E C 1.752 178.060 176.600 -0.485 0.000 0.988 242 E CA 1.437 57.463 56.400 -0.624 0.000 0.804 242 E CB -1.230 27.878 29.700 -0.987 0.000 0.745 242 E HN 0.141 nan 8.360 nan 0.000 0.458 243 V N -0.909 118.668 119.914 -0.562 0.000 2.407 243 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 243 V C 1.912 177.607 176.094 -0.666 0.000 1.055 243 V CA 1.811 63.738 62.300 -0.622 0.000 1.049 243 V CB -1.093 30.337 31.823 -0.656 0.000 0.662 243 V HN 0.265 nan 8.190 nan 0.000 0.455 244 Y N 0.338 120.440 120.300 -0.330 0.000 2.373 244 Y HA 0.159 4.709 4.550 -0.000 0.000 0.293 244 Y C 2.362 178.131 175.900 -0.218 0.000 1.129 244 Y CA 1.569 59.543 58.100 -0.210 0.000 1.226 244 Y CB -0.444 37.944 38.460 -0.121 0.000 1.000 244 Y HN 0.205 nan 8.280 nan 0.000 0.549 245 I N -0.584 119.902 120.570 -0.140 0.000 2.394 245 I HA -0.280 3.890 4.170 -0.000 0.000 0.251 245 I C 1.769 177.779 176.117 -0.178 0.000 1.136 245 I CA 1.184 62.403 61.300 -0.134 0.000 1.425 245 I CB -0.247 37.668 38.000 -0.141 0.000 1.079 245 I HN 0.214 nan 8.210 nan 0.000 0.425 246 L N -0.470 120.607 121.223 -0.244 0.000 2.217 246 L HA -0.125 4.215 4.340 -0.000 0.000 0.211 246 L C 2.253 178.999 176.870 -0.207 0.000 1.107 246 L CA 0.760 55.462 54.840 -0.230 0.000 0.783 246 L CB -0.127 41.761 42.059 -0.285 0.000 0.919 246 L HN 0.240 nan 8.230 nan 0.000 0.442 247 I N -1.185 119.218 120.570 -0.278 0.000 3.526 247 I HA -0.046 4.124 4.170 -0.000 0.000 0.294 247 I C 1.961 177.761 176.117 -0.529 0.000 1.229 247 I CA 0.921 62.001 61.300 -0.368 0.000 1.408 247 I CB 0.209 37.935 38.000 -0.458 0.000 1.127 247 I HN 0.017 nan 8.210 nan 0.000 0.439 248 L N 1.208 122.193 121.223 -0.396 0.000 2.056 248 L HA -0.076 4.264 4.340 -0.000 0.000 0.207 248 L C -0.473 176.371 176.870 -0.044 0.000 1.078 248 L CA 1.382 56.058 54.840 -0.274 0.000 0.749 248 L CB -1.607 40.414 42.059 -0.063 0.000 0.901 248 L HN 0.190 nan 8.230 nan 0.000 0.433 249 P HA -0.111 nan 4.420 nan 0.000 0.220 249 P C 1.473 178.879 177.300 0.176 0.000 1.148 249 P CA 1.464 64.607 63.100 0.072 0.000 0.803 249 P CB -0.131 31.601 31.700 0.053 0.000 0.782 250 G N -1.494 107.330 108.800 0.040 0.000 2.422 250 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.218 250 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.218 250 G C 1.421 176.329 174.900 0.013 0.000 1.140 250 G CA 0.113 45.210 45.100 -0.006 0.000 0.775 250 G HN 0.232 nan 8.290 nan 0.000 0.545 251 F N 1.297 121.258 119.950 0.018 0.000 2.095 251 F HA -0.085 4.442 4.527 -0.000 0.000 0.298 251 F C 3.019 178.966 175.800 0.244 0.000 1.104 251 F CA 0.389 58.480 58.000 0.152 0.000 1.232 251 F CB -0.194 38.972 39.000 0.276 0.000 0.987 251 F HN 0.269 nan 8.300 nan 0.000 0.475 252 G N 0.290 109.384 108.800 0.490 0.000 2.459 252 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.217 252 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.217 252 G C 1.585 176.813 174.900 0.546 0.000 1.183 252 G CA 0.851 46.282 45.100 0.552 0.000 0.776 252 G HN 0.210 nan 8.290 nan 0.000 0.552 253 M N 0.073 119.890 119.600 0.362 0.000 2.117 253 M HA -0.020 4.460 4.480 -0.000 0.000 0.262 253 M C 2.530 178.872 176.300 0.071 0.000 1.065 253 M CA 1.009 56.397 55.300 0.148 0.000 1.114 253 M CB -0.354 32.213 32.600 -0.055 0.000 1.361 253 M HN 0.113 nan 8.290 nan 0.000 0.408 254 I N 0.028 120.516 120.570 -0.136 0.000 2.163 254 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 254 I C 2.470 178.461 176.117 -0.210 0.000 1.085 254 I CA 1.531 62.589 61.300 -0.404 0.000 1.347 254 I CB -1.447 35.923 38.000 -1.050 0.000 1.044 254 I HN 0.256 nan 8.210 nan 0.000 0.408 255 S N -0.323 115.456 115.700 0.132 0.000 2.365 255 S HA -0.225 4.245 4.470 -0.000 0.000 0.225 255 S C 1.904 176.665 174.600 0.269 0.000 1.039 255 S CA 1.228 59.654 58.200 0.376 0.000 1.033 255 S CB -0.545 62.973 63.200 0.531 0.000 0.887 255 S HN 0.504 nan 8.310 nan 0.000 0.447 256 H N 0.402 119.601 119.070 0.216 0.000 2.353 256 H HA 0.011 4.567 4.556 -0.000 0.000 0.300 256 H C 2.186 177.514 175.328 0.001 0.000 1.090 256 H CA 1.456 57.622 56.048 0.198 0.000 1.327 256 H CB -0.233 29.738 29.762 0.348 0.000 1.383 256 H HN 0.354 nan 8.280 nan 0.000 0.508 257 I N 0.155 120.724 120.570 -0.002 0.000 2.202 257 I HA -0.220 3.950 4.170 -0.000 0.000 0.242 257 I C 2.529 178.662 176.117 0.027 0.000 1.091 257 I CA 0.722 61.935 61.300 -0.145 0.000 1.368 257 I CB -0.148 37.733 38.000 -0.199 0.000 1.058 257 I HN 0.006 nan 8.210 nan 0.000 0.410 258 V N 0.367 120.277 119.914 -0.007 0.000 2.427 258 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 258 V C 2.469 178.597 176.094 0.056 0.000 1.051 258 V CA 2.240 64.547 62.300 0.012 0.000 1.048 258 V CB -0.679 31.129 31.823 -0.024 0.000 0.666 258 V HN 0.466 nan 8.190 nan 0.000 0.456 259 T N -1.103 113.500 114.554 0.080 0.000 2.737 259 T HA -0.216 4.134 4.350 -0.000 0.000 0.265 259 T C 1.736 176.429 174.700 -0.011 0.000 1.038 259 T CA 1.987 64.126 62.100 0.066 0.000 1.144 259 T CB -0.352 68.568 68.868 0.087 0.000 0.866 259 T HN 0.535 nan 8.240 nan 0.000 0.434 260 Y N 0.623 120.818 120.300 -0.176 0.000 2.097 260 Y HA -0.219 4.331 4.550 -0.000 0.000 0.282 260 Y C 1.769 177.403 175.900 -0.444 0.000 1.152 260 Y CA 1.455 59.339 58.100 -0.359 0.000 1.136 260 Y CB -0.291 37.816 38.460 -0.589 0.000 0.975 260 Y HN 0.250 nan 8.280 nan 0.000 0.498 261 Y N -1.346 118.928 120.300 -0.043 0.000 2.490 261 Y HA 0.078 4.628 4.550 -0.000 0.000 0.281 261 Y C 2.224 178.006 175.900 -0.197 0.000 1.174 261 Y CA 0.664 58.686 58.100 -0.131 0.000 1.295 261 Y CB -0.055 38.323 38.460 -0.137 0.000 1.062 261 Y HN 0.008 nan 8.280 nan 0.000 0.522 262 S N -0.967 114.688 115.700 -0.074 0.000 2.558 262 S HA 0.169 4.639 4.470 -0.000 0.000 0.217 262 S C 1.759 176.285 174.600 -0.124 0.000 0.975 262 S CA 0.682 58.827 58.200 -0.091 0.000 0.912 262 S CB -0.265 62.912 63.200 -0.038 0.000 0.776 262 S HN 0.663 nan 8.310 nan 0.000 0.526 263 G N 1.498 110.175 108.800 -0.205 0.000 2.176 263 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.252 263 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.252 263 G C -0.061 174.744 174.900 -0.158 0.000 1.024 263 G CA 0.249 45.211 45.100 -0.229 0.000 0.755 263 G HN 0.350 nan 8.290 nan 0.000 0.507 264 K N -0.097 120.232 120.400 -0.118 0.000 2.095 264 K HA 0.606 4.926 4.320 -0.000 0.000 0.252 264 K C 1.472 178.045 176.600 -0.045 0.000 0.977 264 K CA -0.361 55.897 56.287 -0.048 0.000 0.900 264 K CB 0.877 33.384 32.500 0.011 0.000 1.060 264 K HN 0.229 nan 8.250 nan 0.000 0.449 265 K N 0.787 121.179 120.400 -0.013 0.000 2.367 265 K HA 0.090 4.410 4.320 -0.000 0.000 0.194 265 K C -0.562 176.057 176.600 0.032 0.000 1.027 265 K CA 0.356 56.643 56.287 0.000 0.000 1.075 265 K CB 0.349 32.848 32.500 -0.001 0.000 0.845 265 K HN 0.641 nan 8.250 nan 0.000 0.529 266 E N 0.838 121.068 120.200 0.049 0.000 2.407 266 E HA 0.376 4.726 4.350 -0.000 0.000 0.279 266 E C -3.059 173.614 176.600 0.121 0.000 1.012 266 E CA -2.545 53.902 56.400 0.078 0.000 0.800 266 E CB 1.376 31.111 29.700 0.058 0.000 1.276 266 E HN -0.183 nan 8.360 nan 0.000 0.452 267 P HA 0.086 nan 4.420 nan 0.000 0.274 267 P C -0.734 176.702 177.300 0.228 0.000 1.231 267 P CA -0.340 62.893 63.100 0.222 0.000 0.790 267 P CB 0.344 32.190 31.700 0.244 0.000 0.951 268 F N 1.767 121.791 119.950 0.123 0.000 2.529 268 F HA 0.360 4.887 4.527 -0.000 0.000 0.365 268 F C 1.372 177.223 175.800 0.086 0.000 1.102 268 F CA 1.422 59.482 58.000 0.100 0.000 1.271 268 F CB -0.157 38.901 39.000 0.097 0.000 1.120 268 F HN 0.707 nan 8.300 nan 0.000 0.579 269 G N 5.306 113.710 108.800 -0.661 0.000 2.256 269 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.272 269 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.272 269 G C 0.454 175.295 174.900 -0.099 0.000 1.076 269 G CA 0.431 45.259 45.100 -0.453 0.000 0.882 269 G HN 1.041 nan 8.290 nan 0.000 0.497 270 Y N 0.212 120.431 120.300 -0.135 0.000 2.069 270 Y HA -0.277 4.273 4.550 -0.000 0.000 0.278 270 Y C 2.686 178.544 175.900 -0.071 0.000 1.175 270 Y CA 2.790 60.863 58.100 -0.046 0.000 1.134 270 Y CB -0.101 38.358 38.460 -0.002 0.000 0.965 270 Y HN 0.370 nan 8.280 nan 0.000 0.498 271 M N -0.084 119.546 119.600 0.050 0.000 2.175 271 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 271 M C 2.471 178.709 176.300 -0.104 0.000 1.063 271 M CA 1.414 56.671 55.300 -0.072 0.000 1.119 271 M CB -1.986 30.600 32.600 -0.024 0.000 1.377 271 M HN 0.503 nan 8.290 nan 0.000 0.415 272 G N 0.191 108.946 108.800 -0.075 0.000 2.442 272 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.219 272 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.219 272 G C 1.543 176.472 174.900 0.049 0.000 1.141 272 G CA 0.644 45.752 45.100 0.014 0.000 0.763 272 G HN 0.275 nan 8.290 nan 0.000 0.554 273 M N 0.260 119.798 119.600 -0.103 0.000 2.175 273 M HA 0.028 4.508 4.480 -0.000 0.000 0.264 273 M C 2.741 178.894 176.300 -0.244 0.000 1.063 273 M CA 0.713 55.911 55.300 -0.170 0.000 1.119 273 M CB -0.948 31.541 32.600 -0.185 0.000 1.377 273 M HN 0.124 nan 8.290 nan 0.000 0.415 274 V N -1.203 118.459 119.914 -0.420 0.000 2.323 274 V HA -0.246 3.874 4.120 -0.000 0.000 0.244 274 V C 2.068 177.958 176.094 -0.340 0.000 1.041 274 V CA 1.620 63.533 62.300 -0.646 0.000 1.025 274 V CB -0.781 30.410 31.823 -1.053 0.000 0.656 274 V HN 0.605 nan 8.190 nan 0.000 0.451 275 W N 1.376 122.479 121.300 -0.329 0.000 2.318 275 W HA -0.299 4.361 4.660 -0.000 0.000 0.313 275 W C 2.421 178.860 176.519 -0.133 0.000 1.221 275 W CA 2.504 59.730 57.345 -0.199 0.000 1.266 275 W CB -0.490 28.875 29.460 -0.158 0.000 1.150 275 W HN 0.196 nan 8.180 nan 0.000 0.496 276 A N 0.101 122.832 122.820 -0.148 0.000 1.933 276 A HA -0.203 4.117 4.320 -0.000 0.000 0.218 276 A C 2.054 179.450 177.584 -0.313 0.000 1.175 276 A CA 2.075 53.881 52.037 -0.385 0.000 0.628 276 A CB -0.832 18.100 19.000 -0.112 0.000 0.814 276 A HN 0.434 nan 8.150 nan 0.000 0.444 277 M N -1.362 118.131 119.600 -0.179 0.000 2.132 277 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 277 M C 2.388 178.651 176.300 -0.061 0.000 1.065 277 M CA 1.500 56.775 55.300 -0.042 0.000 1.122 277 M CB -0.458 32.165 32.600 0.037 0.000 1.365 277 M HN 0.411 nan 8.290 nan 0.000 0.411 278 M N -0.536 118.982 119.600 -0.137 0.000 2.117 278 M HA -0.162 4.318 4.480 -0.000 0.000 0.262 278 M C 2.268 178.498 176.300 -0.117 0.000 1.065 278 M CA 1.436 56.687 55.300 -0.083 0.000 1.114 278 M CB -0.409 32.132 32.600 -0.098 0.000 1.361 278 M HN 0.197 nan 8.290 nan 0.000 0.408 279 S N 0.834 116.317 115.700 -0.360 0.000 2.368 279 S HA -0.076 4.394 4.470 -0.000 0.000 0.225 279 S C 1.798 176.304 174.600 -0.158 0.000 1.030 279 S CA 1.144 59.126 58.200 -0.362 0.000 0.999 279 S CB -0.362 62.311 63.200 -0.878 0.000 0.844 279 S HN 0.368 nan 8.310 nan 0.000 0.459 280 I N 1.434 121.900 120.570 -0.174 0.000 2.226 280 I HA -0.134 4.036 4.170 -0.000 0.000 0.245 280 I C 2.691 178.715 176.117 -0.154 0.000 1.100 280 I CA 1.146 62.355 61.300 -0.152 0.000 1.374 280 I CB -0.813 37.172 38.000 -0.025 0.000 1.057 280 I HN 0.369 nan 8.210 nan 0.000 0.413 281 G N 0.542 109.329 108.800 -0.022 0.000 2.446 281 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 281 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 281 G C 1.614 176.606 174.900 0.153 0.000 1.168 281 G CA 0.689 45.829 45.100 0.067 0.000 0.771 281 G HN 0.336 nan 8.290 nan 0.000 0.551 282 F N 1.196 121.169 119.950 0.039 0.000 2.075 282 F HA 0.052 4.579 4.527 -0.000 0.000 0.297 282 F C 2.483 178.337 175.800 0.090 0.000 1.113 282 F CA 1.262 59.318 58.000 0.093 0.000 1.218 282 F CB -0.267 38.747 39.000 0.022 0.000 0.984 282 F HN 0.026 nan 8.300 nan 0.000 0.472 283 L N 0.013 121.216 121.223 -0.034 0.000 2.265 283 L HA -0.133 4.207 4.340 -0.000 0.000 0.215 283 L C 2.509 179.236 176.870 -0.238 0.000 1.117 283 L CA 1.040 55.801 54.840 -0.132 0.000 0.782 283 L CB -1.338 40.690 42.059 -0.052 0.000 0.914 283 L HN 0.374 nan 8.230 nan 0.000 0.441 284 G N -1.298 107.325 108.800 -0.296 0.000 2.848 284 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.208 284 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.208 284 G C 1.067 175.777 174.900 -0.317 0.000 1.152 284 G CA -0.066 44.837 45.100 -0.329 0.000 0.789 284 G HN 0.266 nan 8.290 nan 0.000 0.531 285 F N 0.214 120.038 119.950 -0.209 0.000 2.727 285 F HA 0.309 4.836 4.527 -0.000 0.000 0.302 285 F C 1.760 177.560 175.800 -0.001 0.000 1.097 285 F CA -0.114 57.743 58.000 -0.237 0.000 1.330 285 F CB 0.456 39.282 39.000 -0.290 0.000 1.084 285 F HN 0.228 nan 8.300 nan 0.000 0.578 286 I N -2.425 118.230 120.570 0.140 0.000 3.966 286 I HA 0.242 4.412 4.170 -0.000 0.000 0.324 286 I C 0.397 176.648 176.117 0.222 0.000 1.517 286 I CA -0.010 61.464 61.300 0.290 0.000 1.117 286 I CB 0.190 38.262 38.000 0.121 0.000 1.190 286 I HN -0.120 nan 8.210 nan 0.000 0.466 287 V N -3.319 116.681 119.914 0.142 0.000 3.432 287 V HA 0.226 4.346 4.120 -0.000 0.000 0.298 287 V C 1.682 177.543 176.094 -0.388 0.000 1.464 287 V CA -0.113 62.166 62.300 -0.035 0.000 1.046 287 V CB -0.907 30.755 31.823 -0.269 0.000 0.887 287 V HN 0.686 nan 8.190 nan 0.000 0.441 288 W N 1.838 123.045 121.300 -0.155 0.000 2.392 288 W HA 0.221 4.881 4.660 -0.000 0.000 0.279 288 W C 1.767 177.968 176.519 -0.530 0.000 1.225 288 W CA 1.227 58.418 57.345 -0.256 0.000 1.233 288 W CB -0.677 28.836 29.460 0.089 0.000 1.122 288 W HN 0.214 nan 8.180 nan 0.000 0.561 289 A N 1.939 123.704 122.820 -1.759 0.000 2.235 289 A HA -0.113 4.207 4.320 -0.000 0.000 0.208 289 A C 1.774 178.555 177.584 -1.337 0.000 1.172 289 A CA 0.998 52.119 52.037 -1.526 0.000 0.786 289 A CB -1.780 16.062 19.000 -1.930 0.000 0.804 289 A HN 0.777 nan 8.150 nan 0.000 0.479 290 H N -2.430 115.917 119.070 -1.204 0.000 2.545 290 H HA -0.055 4.501 4.556 -0.000 0.000 0.282 290 H C 0.745 175.196 175.328 -1.462 0.000 1.020 290 H CA 1.028 56.015 56.048 -1.769 0.000 1.243 290 H CB -0.413 28.740 29.762 -1.015 0.000 1.377 290 H HN 0.692 nan 8.280 nan 0.000 0.581 291 H N 0.386 119.006 119.070 -0.749 0.000 2.543 291 H HA 0.171 4.727 4.556 -0.000 0.000 0.269 291 H C 0.614 175.586 175.328 -0.593 0.000 1.005 291 H CA 0.416 55.986 56.048 -0.797 0.000 1.146 291 H CB 0.366 29.028 29.762 -1.833 0.000 1.353 291 H HN 0.488 nan 8.280 nan 0.000 0.595 292 M N -0.533 118.744 119.600 -0.539 0.000 2.687 292 M HA 0.097 4.577 4.480 -0.000 0.000 0.413 292 M C 0.121 176.299 176.300 -0.203 0.000 1.216 292 M CA -0.182 54.926 55.300 -0.320 0.000 0.871 292 M CB 0.600 33.039 32.600 -0.267 0.000 1.481 292 M HN -0.075 nan 8.290 nan 0.000 0.521 293 F N 0.808 120.584 119.950 -0.290 0.000 2.546 293 F HA -0.034 4.493 4.527 -0.000 0.000 0.298 293 F C 2.442 178.126 175.800 -0.192 0.000 1.120 293 F CA 1.254 59.125 58.000 -0.214 0.000 1.456 293 F CB -0.749 38.142 39.000 -0.182 0.000 1.088 293 F HN 0.247 nan 8.300 nan 0.000 0.572 294 T N -3.696 110.803 114.554 -0.092 0.000 3.092 294 T HA 0.164 4.514 4.350 -0.000 0.000 0.258 294 T C 1.418 176.106 174.700 -0.020 0.000 1.031 294 T CA 0.668 62.732 62.100 -0.060 0.000 0.925 294 T CB -0.608 68.214 68.868 -0.076 0.000 1.036 294 T HN 0.088 nan 8.240 nan 0.000 0.544 295 V N -2.063 117.839 119.914 -0.020 0.000 3.608 295 V HA 0.634 4.754 4.120 -0.000 0.000 0.269 295 V C 1.436 177.547 176.094 0.028 0.000 1.245 295 V CA 0.312 62.614 62.300 0.003 0.000 1.138 295 V CB -0.912 30.895 31.823 -0.026 0.000 0.841 295 V HN 0.740 nan 8.190 nan 0.000 0.451 296 G N 0.313 109.134 108.800 0.036 0.000 2.226 296 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.176 296 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.176 296 G C -0.299 174.640 174.900 0.064 0.000 1.042 296 G CA 0.128 45.257 45.100 0.047 0.000 0.732 296 G HN 0.455 nan 8.290 nan 0.000 0.494 297 M N 0.357 120.004 119.600 0.078 0.000 2.283 297 M HA 0.340 4.820 4.480 -0.000 0.000 0.314 297 M C 0.287 176.641 176.300 0.090 0.000 1.153 297 M CA -0.679 54.684 55.300 0.105 0.000 1.084 297 M CB 0.371 33.052 32.600 0.135 0.000 1.468 297 M HN 0.105 nan 8.290 nan 0.000 0.474 298 D N 0.913 121.369 120.400 0.094 0.000 2.449 298 D HA -0.048 4.592 4.640 -0.000 0.000 0.236 298 D C 0.855 177.200 176.300 0.074 0.000 1.149 298 D CA 0.031 54.076 54.000 0.075 0.000 0.878 298 D CB 0.873 41.719 40.800 0.077 0.000 1.198 298 D HN 0.359 nan 8.370 nan 0.000 0.446 299 V N 2.096 122.038 119.914 0.047 0.000 2.343 299 V HA -0.242 3.878 4.120 -0.000 0.000 0.247 299 V C 1.270 177.390 176.094 0.045 0.000 1.051 299 V CA 1.895 64.212 62.300 0.028 0.000 1.036 299 V CB -0.119 31.708 31.823 0.007 0.000 0.654 299 V HN 0.429 nan 8.190 nan 0.000 0.451 300 D N -0.450 119.984 120.400 0.056 0.000 2.117 300 D HA -0.145 4.495 4.640 -0.000 0.000 0.197 300 D C 2.231 178.606 176.300 0.124 0.000 0.987 300 D CA 1.944 55.985 54.000 0.069 0.000 0.829 300 D CB -0.638 40.193 40.800 0.051 0.000 0.961 300 D HN 0.449 nan 8.370 nan 0.000 0.460 301 T N 1.052 115.697 114.554 0.153 0.000 2.665 301 T HA -0.178 4.172 4.350 -0.000 0.000 0.268 301 T C 1.991 176.920 174.700 0.381 0.000 1.035 301 T CA 1.212 63.473 62.100 0.267 0.000 1.151 301 T CB -0.086 68.945 68.868 0.272 0.000 0.862 301 T HN 0.176 nan 8.240 nan 0.000 0.438 302 R N 0.635 121.282 120.500 0.245 0.000 2.115 302 R HA 0.092 4.432 4.340 -0.000 0.000 0.230 302 R C 2.741 179.106 176.300 0.108 0.000 1.111 302 R CA 1.078 57.302 56.100 0.207 0.000 0.976 302 R CB -0.331 29.964 30.300 -0.008 0.000 0.870 302 R HN 0.355 nan 8.270 nan 0.000 0.445 303 A N 0.497 123.360 122.820 0.071 0.000 1.929 303 A HA -0.196 4.124 4.320 -0.000 0.000 0.216 303 A C 1.950 179.549 177.584 0.025 0.000 1.176 303 A CA 0.992 53.038 52.037 0.015 0.000 0.628 303 A CB -0.585 18.426 19.000 0.018 0.000 0.816 303 A HN 0.470 nan 8.150 nan 0.000 0.444 304 Y N -0.684 119.613 120.300 -0.006 0.000 2.114 304 Y HA -0.183 4.367 4.550 -0.000 0.000 0.284 304 Y C 1.851 177.688 175.900 -0.105 0.000 1.143 304 Y CA 1.872 59.909 58.100 -0.104 0.000 1.135 304 Y CB -0.563 37.767 38.460 -0.217 0.000 0.980 304 Y HN 0.221 nan 8.280 nan 0.000 0.499 305 F N 0.368 120.114 119.950 -0.339 0.000 2.234 305 F HA -0.136 4.391 4.527 -0.000 0.000 0.299 305 F C 2.498 178.224 175.800 -0.125 0.000 1.087 305 F CA 1.846 59.629 58.000 -0.361 0.000 1.340 305 F CB -0.935 38.033 39.000 -0.053 0.000 1.031 305 F HN 0.010 nan 8.300 nan 0.000 0.500 306 T N -1.008 113.656 114.554 0.184 0.000 2.684 306 T HA -0.190 4.160 4.350 -0.000 0.000 0.267 306 T C 2.287 176.964 174.700 -0.037 0.000 1.036 306 T CA 1.892 64.049 62.100 0.095 0.000 1.148 306 T CB -0.386 68.448 68.868 -0.057 0.000 0.863 306 T HN 0.173 nan 8.240 nan 0.000 0.436 307 S N 1.054 116.671 115.700 -0.138 0.000 2.371 307 S HA 0.060 4.530 4.470 -0.000 0.000 0.224 307 S C 2.563 177.057 174.600 -0.177 0.000 1.029 307 S CA 0.854 58.971 58.200 -0.138 0.000 0.978 307 S CB -0.482 62.635 63.200 -0.138 0.000 0.833 307 S HN 0.572 nan 8.310 nan 0.000 0.466 308 A N 1.225 123.820 122.820 -0.376 0.000 1.933 308 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 308 A C 2.280 179.776 177.584 -0.146 0.000 1.175 308 A CA 1.960 53.801 52.037 -0.327 0.000 0.628 308 A CB -1.186 17.426 19.000 -0.647 0.000 0.814 308 A HN 0.465 nan 8.150 nan 0.000 0.444 309 T N -0.300 114.202 114.554 -0.086 0.000 2.777 309 T HA -0.082 4.268 4.350 -0.000 0.000 0.266 309 T C 1.905 176.611 174.700 0.009 0.000 1.040 309 T CA 1.599 63.711 62.100 0.019 0.000 1.141 309 T CB -0.259 68.697 68.868 0.146 0.000 0.868 309 T HN 0.427 nan 8.240 nan 0.000 0.444 310 M N 0.324 119.921 119.600 -0.006 0.000 2.279 310 M HA 0.034 4.514 4.480 -0.000 0.000 0.264 310 M C 1.977 178.288 176.300 0.019 0.000 1.062 310 M CA 1.273 56.576 55.300 0.005 0.000 1.099 310 M CB -0.456 32.141 32.600 -0.004 0.000 1.394 310 M HN 0.231 nan 8.290 nan 0.000 0.426 311 I N 0.157 120.733 120.570 0.010 0.000 2.423 311 I HA -0.314 3.856 4.170 -0.000 0.000 0.254 311 I C 2.069 178.211 176.117 0.041 0.000 1.151 311 I CA 0.979 62.297 61.300 0.031 0.000 1.421 311 I CB -0.388 37.629 38.000 0.028 0.000 1.079 311 I HN 0.299 nan 8.210 nan 0.000 0.431 312 I N 0.921 121.508 120.570 0.028 0.000 2.454 312 I HA -0.277 3.893 4.170 -0.000 0.000 0.254 312 I C 2.790 178.954 176.117 0.079 0.000 1.156 312 I CA 1.198 62.518 61.300 0.033 0.000 1.433 312 I CB -0.766 37.262 38.000 0.047 0.000 1.082 312 I HN 0.223 nan 8.210 nan 0.000 0.432 313 A N 1.403 124.274 122.820 0.086 0.000 1.978 313 A HA -0.182 4.138 4.320 -0.000 0.000 0.220 313 A C 2.269 179.917 177.584 0.107 0.000 1.170 313 A CA 1.385 53.481 52.037 0.099 0.000 0.636 313 A CB -0.588 18.459 19.000 0.078 0.000 0.810 313 A HN 0.368 nan 8.150 nan 0.000 0.448 314 I N 0.339 120.976 120.570 0.110 0.000 2.113 314 I HA -0.150 4.020 4.170 -0.000 0.000 0.238 314 I C -0.310 175.913 176.117 0.177 0.000 1.070 314 I CA 1.548 62.942 61.300 0.158 0.000 1.332 314 I CB -1.104 37.005 38.000 0.181 0.000 1.044 314 I HN 0.238 nan 8.210 nan 0.000 0.402 315 P HA -0.110 nan 4.420 nan 0.000 0.218 315 P C 1.520 178.822 177.300 0.003 0.000 1.149 315 P CA 1.559 64.669 63.100 0.018 0.000 0.817 315 P CB -0.272 31.213 31.700 -0.358 0.000 0.785 316 T N -0.161 114.411 114.554 0.029 0.000 2.746 316 T HA -0.081 4.269 4.350 -0.000 0.000 0.267 316 T C 2.156 176.816 174.700 -0.066 0.000 1.039 316 T CA 1.852 63.964 62.100 0.021 0.000 1.142 316 T CB -1.144 67.848 68.868 0.206 0.000 0.866 316 T HN 0.210 nan 8.240 nan 0.000 0.444 317 G N 0.745 109.540 108.800 -0.008 0.000 2.484 317 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.218 317 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.218 317 G C 1.662 176.500 174.900 -0.104 0.000 1.130 317 G CA 0.364 45.379 45.100 -0.141 0.000 0.784 317 G HN 0.414 nan 8.290 nan 0.000 0.543 318 V N 0.842 120.803 119.914 0.079 0.000 2.332 318 V HA -0.227 3.893 4.120 -0.000 0.000 0.248 318 V C 2.836 178.865 176.094 -0.107 0.000 1.055 318 V CA 2.264 64.637 62.300 0.121 0.000 1.038 318 V CB -0.336 31.623 31.823 0.228 0.000 0.651 318 V HN 0.400 nan 8.190 nan 0.000 0.450 319 K N -0.482 119.701 120.400 -0.360 0.000 2.025 319 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 319 K C 2.088 178.049 176.600 -1.066 0.000 1.049 319 K CA 1.409 57.186 56.287 -0.851 0.000 0.933 319 K CB -0.496 31.291 32.500 -1.188 0.000 0.714 319 K HN 0.344 nan 8.250 nan 0.000 0.438 320 V N 1.359 120.856 119.914 -0.694 0.000 2.287 320 V HA -0.252 3.868 4.120 -0.000 0.000 0.248 320 V C 2.091 178.023 176.094 -0.270 0.000 1.053 320 V CA 1.867 63.938 62.300 -0.382 0.000 1.027 320 V CB -0.639 30.949 31.823 -0.391 0.000 0.646 320 V HN 0.206 nan 8.190 nan 0.000 0.447 321 F N 0.468 120.396 119.950 -0.037 0.000 2.126 321 F HA -0.192 4.335 4.527 -0.000 0.000 0.299 321 F C 2.666 178.425 175.800 -0.069 0.000 1.096 321 F CA 1.504 59.486 58.000 -0.030 0.000 1.255 321 F CB -0.512 38.473 39.000 -0.026 0.000 0.997 321 F HN 0.080 nan 8.300 nan 0.000 0.479 322 S N -0.922 114.793 115.700 0.024 0.000 2.402 322 S HA -0.153 4.317 4.470 -0.000 0.000 0.229 322 S C 1.686 176.342 174.600 0.094 0.000 1.021 322 S CA 0.750 59.002 58.200 0.086 0.000 0.974 322 S CB -0.393 62.855 63.200 0.080 0.000 0.800 322 S HN 0.375 nan 8.310 nan 0.000 0.484 323 W N 2.003 123.364 121.300 0.103 0.000 2.338 323 W HA 0.007 4.667 4.660 -0.000 0.000 0.304 323 W C 1.956 178.522 176.519 0.080 0.000 1.212 323 W CA 0.367 57.766 57.345 0.089 0.000 1.264 323 W CB -1.323 28.184 29.460 0.078 0.000 1.142 323 W HN 0.309 nan 8.180 nan 0.000 0.512 324 L N 0.013 121.418 121.223 0.303 0.000 2.046 324 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 324 L C 2.589 179.516 176.870 0.094 0.000 1.077 324 L CA 1.449 56.411 54.840 0.205 0.000 0.747 324 L CB -1.314 40.878 42.059 0.223 0.000 0.896 324 L HN -0.133 nan 8.230 nan 0.000 0.432 325 A N -0.803 121.992 122.820 -0.042 0.000 2.121 325 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 325 A C 2.287 179.845 177.584 -0.044 0.000 1.154 325 A CA 1.854 53.722 52.037 -0.281 0.000 0.679 325 A CB -0.588 17.751 19.000 -1.101 0.000 0.795 325 A HN 0.370 nan 8.150 nan 0.000 0.458 326 T N 0.057 114.687 114.554 0.127 0.000 2.937 326 T HA 0.050 4.400 4.350 -0.000 0.000 0.260 326 T C 1.765 176.550 174.700 0.142 0.000 1.051 326 T CA 0.919 63.143 62.100 0.206 0.000 1.141 326 T CB -0.264 68.768 68.868 0.273 0.000 0.879 326 T HN 0.367 nan 8.240 nan 0.000 0.459 327 L N 0.467 121.768 121.223 0.130 0.000 2.079 327 L HA -0.068 4.272 4.340 -0.000 0.000 0.210 327 L C 1.344 178.265 176.870 0.086 0.000 1.081 327 L CA 0.706 55.593 54.840 0.079 0.000 0.752 327 L CB -0.683 41.427 42.059 0.084 0.000 0.896 327 L HN 0.359 nan 8.230 nan 0.000 0.433 328 H N 0.567 119.638 119.070 0.001 0.000 3.157 328 H HA 0.150 4.706 4.556 -0.000 0.000 0.299 328 H C 1.124 176.452 175.328 0.000 0.000 0.961 328 H CA 0.296 56.339 56.048 -0.010 0.000 1.428 328 H CB 0.211 29.945 29.762 -0.047 0.000 1.459 328 H HN 0.311 nan 8.280 nan 0.000 0.566 329 G N 3.049 111.608 108.800 -0.401 0.000 2.168 329 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.263 329 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.263 329 G C 0.752 175.566 174.900 -0.144 0.000 0.977 329 G CA 0.415 45.322 45.100 -0.321 0.000 0.659 329 G HN 1.037 nan 8.290 nan 0.000 0.533 330 G N -0.379 108.366 108.800 -0.091 0.000 2.594 330 G HA2 0.381 4.341 3.960 -0.000 0.000 0.243 330 G HA3 0.381 4.341 3.960 -0.000 0.000 0.243 330 G C 0.138 174.993 174.900 -0.074 0.000 1.229 330 G CA 0.305 45.361 45.100 -0.072 0.000 0.843 330 G HN 0.621 nan 8.290 nan 0.000 0.578 331 N N 0.911 119.565 118.700 -0.077 0.000 2.602 331 N HA 0.098 4.838 4.740 -0.000 0.000 0.238 331 N C -0.068 175.388 175.510 -0.090 0.000 1.084 331 N CA -0.620 52.389 53.050 -0.069 0.000 0.952 331 N CB 0.115 38.561 38.487 -0.069 0.000 1.244 331 N HN 0.098 nan 8.380 nan 0.000 0.512 332 I N 2.085 122.592 120.570 -0.105 0.000 2.416 332 I HA 0.119 4.289 4.170 -0.000 0.000 0.288 332 I C 0.619 176.601 176.117 -0.226 0.000 1.051 332 I CA -0.400 60.759 61.300 -0.235 0.000 1.375 332 I CB 0.347 38.112 38.000 -0.392 0.000 1.407 332 I HN 0.450 nan 8.210 nan 0.000 0.516 333 K N 6.488 126.765 120.400 -0.205 0.000 2.293 333 K HA 0.235 4.555 4.320 -0.000 0.000 0.267 333 K C -0.955 175.521 176.600 -0.207 0.000 1.010 333 K CA -0.244 55.995 56.287 -0.081 0.000 0.875 333 K CB 0.399 32.948 32.500 0.082 0.000 1.106 333 K HN 0.358 nan 8.250 nan 0.000 0.450 334 W N 4.806 126.070 121.300 -0.059 0.000 1.435 334 W HA 0.107 4.767 4.660 -0.000 0.000 0.471 334 W C 0.232 176.643 176.519 -0.181 0.000 0.590 334 W CA -0.411 56.856 57.345 -0.130 0.000 2.419 334 W CB -0.346 29.046 29.460 -0.113 0.000 1.251 334 W HN 0.569 nan 8.180 nan 0.000 0.338 335 S N -0.174 115.421 115.700 -0.176 0.000 2.614 335 S HA 0.300 4.770 4.470 -0.000 0.000 0.265 335 S C -1.418 173.009 174.600 -0.288 0.000 1.303 335 S CA -1.164 56.887 58.200 -0.248 0.000 1.000 335 S CB 1.531 64.405 63.200 -0.543 0.000 0.935 335 S HN -0.023 nan 8.310 nan 0.000 0.551 336 P HA -0.041 nan 4.420 nan 0.000 0.216 336 P C 1.534 178.764 177.300 -0.117 0.000 1.150 336 P CA 1.896 64.918 63.100 -0.131 0.000 0.837 336 P CB -0.301 31.450 31.700 0.086 0.000 0.786 337 A N -0.790 121.936 122.820 -0.156 0.000 1.933 337 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 337 A C 2.209 179.641 177.584 -0.253 0.000 1.175 337 A CA 2.050 54.029 52.037 -0.097 0.000 0.628 337 A CB -1.352 17.522 19.000 -0.211 0.000 0.814 337 A HN 0.147 nan 8.150 nan 0.000 0.444 338 M N -0.736 118.531 119.600 -0.554 0.000 2.229 338 M HA 0.024 4.504 4.480 -0.000 0.000 0.264 338 M C 1.945 178.048 176.300 -0.328 0.000 1.063 338 M CA 1.679 56.720 55.300 -0.431 0.000 1.114 338 M CB -0.565 31.718 32.600 -0.530 0.000 1.387 338 M HN 0.386 nan 8.290 nan 0.000 0.420 339 M N -1.607 117.723 119.600 -0.449 0.000 2.132 339 M HA -0.180 4.300 4.480 -0.000 0.000 0.263 339 M C 1.880 177.706 176.300 -0.790 0.000 1.065 339 M CA 1.926 56.764 55.300 -0.770 0.000 1.122 339 M CB -0.623 31.181 32.600 -1.326 0.000 1.365 339 M HN 0.394 nan 8.290 nan 0.000 0.411 340 W N 0.314 121.330 121.300 -0.472 0.000 2.318 340 W HA -0.217 4.443 4.660 -0.000 0.000 0.313 340 W C 2.733 179.359 176.519 0.178 0.000 1.221 340 W CA 1.214 58.533 57.345 -0.043 0.000 1.266 340 W CB -0.552 28.885 29.460 -0.038 0.000 1.150 340 W HN 0.238 nan 8.180 nan 0.000 0.496 341 A N 0.114 123.074 122.820 0.234 0.000 1.902 341 A HA -0.177 4.143 4.320 -0.000 0.000 0.217 341 A C 1.942 179.645 177.584 0.197 0.000 1.181 341 A CA 1.591 53.704 52.037 0.127 0.000 0.623 341 A CB -1.060 17.896 19.000 -0.074 0.000 0.818 341 A HN 0.305 nan 8.150 nan 0.000 0.443 342 L N -0.786 120.515 121.223 0.131 0.000 2.046 342 L HA -0.124 4.216 4.340 -0.000 0.000 0.208 342 L C 2.834 179.933 176.870 0.382 0.000 1.077 342 L CA 1.099 56.050 54.840 0.185 0.000 0.747 342 L CB -0.863 41.245 42.059 0.081 0.000 0.896 342 L HN 0.501 nan 8.230 nan 0.000 0.432 343 G N -0.312 108.806 108.800 0.529 0.000 2.402 343 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.216 343 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.216 343 G C 1.480 176.822 174.900 0.736 0.000 1.162 343 G CA 0.548 46.147 45.100 0.832 0.000 0.777 343 G HN 0.274 nan 8.290 nan 0.000 0.539 344 F N 1.546 121.860 119.950 0.606 0.000 2.063 344 F HA -0.181 4.346 4.527 -0.000 0.000 0.298 344 F C 2.477 178.464 175.800 0.312 0.000 1.109 344 F CA 1.748 59.967 58.000 0.365 0.000 1.212 344 F CB -0.244 38.910 39.000 0.257 0.000 0.973 344 F HN 0.123 nan 8.300 nan 0.000 0.480 345 I N -1.022 119.875 120.570 0.544 0.000 2.226 345 I HA -0.294 3.876 4.170 -0.000 0.000 0.245 345 I C 2.305 178.669 176.117 0.411 0.000 1.100 345 I CA 1.508 63.095 61.300 0.479 0.000 1.374 345 I CB -0.612 37.629 38.000 0.401 0.000 1.057 345 I HN 0.232 nan 8.210 nan 0.000 0.413 346 F N 1.461 121.567 119.950 0.260 0.000 2.084 346 F HA -0.137 4.390 4.527 -0.000 0.000 0.296 346 F C 2.146 178.039 175.800 0.155 0.000 1.111 346 F CA 1.639 59.766 58.000 0.211 0.000 1.224 346 F CB -0.268 38.869 39.000 0.229 0.000 0.991 346 F HN -0.148 nan 8.300 nan 0.000 0.471 347 L N -1.092 120.129 121.223 -0.003 0.000 2.109 347 L HA -0.145 4.195 4.340 -0.000 0.000 0.207 347 L C 2.386 179.140 176.870 -0.193 0.000 1.086 347 L CA 1.127 55.874 54.840 -0.154 0.000 0.760 347 L CB -0.913 41.073 42.059 -0.121 0.000 0.910 347 L HN 0.221 nan 8.230 nan 0.000 0.437 348 F N 1.037 120.785 119.950 -0.336 0.000 2.134 348 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 348 F C 2.417 178.116 175.800 -0.169 0.000 1.097 348 F CA 2.024 59.807 58.000 -0.362 0.000 1.264 348 F CB -0.399 38.152 39.000 -0.748 0.000 1.001 348 F HN -0.070 nan 8.300 nan 0.000 0.479 349 T N 0.271 114.711 114.554 -0.190 0.000 2.720 349 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 349 T C 2.161 176.654 174.700 -0.345 0.000 1.037 349 T CA 1.679 63.645 62.100 -0.222 0.000 1.144 349 T CB -0.742 68.107 68.868 -0.032 0.000 0.864 349 T HN 0.156 nan 8.240 nan 0.000 0.444 350 V N 1.424 121.079 119.914 -0.432 0.000 2.255 350 V HA -0.150 3.970 4.120 -0.000 0.000 0.247 350 V C 2.887 178.752 176.094 -0.382 0.000 1.051 350 V CA 2.114 64.152 62.300 -0.438 0.000 1.018 350 V CB -1.369 30.119 31.823 -0.559 0.000 0.641 350 V HN 0.614 nan 8.190 nan 0.000 0.445 351 G N -0.348 108.237 108.800 -0.357 0.000 2.422 351 G HA2 -0.150 3.810 3.960 -0.000 0.000 0.218 351 G HA3 -0.150 3.810 3.960 -0.000 0.000 0.218 351 G C 1.587 176.357 174.900 -0.218 0.000 1.146 351 G CA 0.951 45.892 45.100 -0.266 0.000 0.769 351 G HN 0.605 nan 8.290 nan 0.000 0.547 352 G N 0.813 109.343 108.800 -0.450 0.000 2.408 352 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.217 352 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.217 352 G C 1.794 176.607 174.900 -0.145 0.000 1.150 352 G CA 0.599 45.512 45.100 -0.312 0.000 0.776 352 G HN 0.419 nan 8.290 nan 0.000 0.542 353 L N 1.266 122.393 121.223 -0.159 0.000 2.042 353 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 353 L C 3.348 180.168 176.870 -0.082 0.000 1.076 353 L CA 1.835 56.614 54.840 -0.103 0.000 0.749 353 L CB -0.898 41.096 42.059 -0.108 0.000 0.893 353 L HN 0.427 nan 8.230 nan 0.000 0.432 354 T N -3.504 110.994 114.554 -0.094 0.000 2.915 354 T HA -0.082 4.268 4.350 -0.000 0.000 0.269 354 T C 1.891 176.519 174.700 -0.119 0.000 1.071 354 T CA 0.919 62.994 62.100 -0.041 0.000 1.132 354 T CB -0.737 68.039 68.868 -0.153 0.000 0.878 354 T HN 0.403 nan 8.240 nan 0.000 0.479 355 G N 1.454 110.102 108.800 -0.254 0.000 2.422 355 G HA2 -0.019 3.941 3.960 -0.000 0.000 0.218 355 G HA3 -0.019 3.941 3.960 -0.000 0.000 0.218 355 G C 1.461 176.199 174.900 -0.270 0.000 1.140 355 G CA 0.398 45.151 45.100 -0.578 0.000 0.775 355 G HN 0.441 nan 8.290 nan 0.000 0.545 356 I N 0.998 121.488 120.570 -0.133 0.000 2.315 356 I HA -0.080 4.090 4.170 -0.000 0.000 0.248 356 I C 2.883 178.959 176.117 -0.068 0.000 1.117 356 I CA 0.644 61.897 61.300 -0.079 0.000 1.404 356 I CB -0.784 37.194 38.000 -0.037 0.000 1.071 356 I HN 0.027 nan 8.210 nan 0.000 0.419 357 V N 0.915 120.800 119.914 -0.049 0.000 2.407 357 V HA -0.233 3.887 4.120 -0.000 0.000 0.248 357 V C 2.433 178.488 176.094 -0.064 0.000 1.055 357 V CA 1.394 63.672 62.300 -0.036 0.000 1.049 357 V CB -0.469 31.372 31.823 0.029 0.000 0.662 357 V HN 0.333 nan 8.190 nan 0.000 0.455 358 L N -0.114 121.066 121.223 -0.072 0.000 2.395 358 L HA 0.041 4.381 4.340 -0.000 0.000 0.218 358 L C 2.494 179.339 176.870 -0.042 0.000 1.130 358 L CA 0.843 55.639 54.840 -0.075 0.000 0.826 358 L CB -0.545 41.430 42.059 -0.140 0.000 0.941 358 L HN 0.326 nan 8.230 nan 0.000 0.451 359 A N -0.533 122.248 122.820 -0.065 0.000 2.066 359 A HA -0.062 4.258 4.320 -0.000 0.000 0.218 359 A C 0.889 178.525 177.584 0.086 0.000 1.157 359 A CA 0.527 52.574 52.037 0.016 0.000 0.670 359 A CB -0.400 18.578 19.000 -0.037 0.000 0.804 359 A HN 0.373 nan 8.150 nan 0.000 0.453 360 N N 1.408 120.089 118.700 -0.031 0.000 2.399 360 N HA 0.079 4.819 4.740 -0.000 0.000 0.259 360 N C 1.037 176.383 175.510 -0.273 0.000 1.160 360 N CA 0.704 53.674 53.050 -0.133 0.000 0.946 360 N CB 1.126 39.546 38.487 -0.112 0.000 1.156 360 N HN 0.468 nan 8.380 nan 0.000 0.489 361 S N 1.024 116.345 115.700 -0.632 0.000 2.419 361 S HA -0.155 4.314 4.470 -0.000 0.000 0.235 361 S C 1.931 176.246 174.600 -0.474 0.000 1.019 361 S CA 0.713 58.256 58.200 -1.096 0.000 0.982 361 S CB -0.004 62.263 63.200 -1.556 0.000 0.789 361 S HN 0.434 nan 8.310 nan 0.000 0.490 362 S N 1.619 117.136 115.700 -0.305 0.000 2.363 362 S HA 0.079 4.549 4.470 -0.000 0.000 0.218 362 S C 1.728 176.248 174.600 -0.134 0.000 1.035 362 S CA 1.193 59.285 58.200 -0.180 0.000 1.043 362 S CB -0.608 62.506 63.200 -0.143 0.000 0.986 362 S HN 0.464 nan 8.310 nan 0.000 0.423 363 L N 1.104 122.251 121.223 -0.127 0.000 2.201 363 L HA -0.149 4.191 4.340 -0.000 0.000 0.212 363 L C 2.074 178.889 176.870 -0.091 0.000 1.105 363 L CA 1.597 56.371 54.840 -0.110 0.000 0.775 363 L CB -0.573 41.414 42.059 -0.121 0.000 0.913 363 L HN 0.380 nan 8.230 nan 0.000 0.440 364 D N -0.168 120.189 120.400 -0.072 0.000 2.219 364 D HA -0.199 4.441 4.640 -0.000 0.000 0.205 364 D C 2.158 178.491 176.300 0.055 0.000 0.970 364 D CA 0.636 54.650 54.000 0.023 0.000 0.851 364 D CB 0.214 41.117 40.800 0.172 0.000 0.943 364 D HN 0.128 nan 8.370 nan 0.000 0.488 365 I N 0.331 120.900 120.570 -0.002 0.000 2.151 365 I HA -0.222 3.948 4.170 -0.000 0.000 0.243 365 I C 2.218 178.363 176.117 0.048 0.000 1.080 365 I CA 0.912 62.226 61.300 0.023 0.000 1.339 365 I CB -1.030 36.961 38.000 -0.016 0.000 1.039 365 I HN 0.077 nan 8.210 nan 0.000 0.409 366 V N 0.353 120.272 119.914 0.007 0.000 3.129 366 V HA -0.070 4.050 4.120 -0.000 0.000 0.259 366 V C 2.150 178.240 176.094 -0.008 0.000 1.116 366 V CA 0.825 63.125 62.300 0.000 0.000 1.127 366 V CB -0.068 31.739 31.823 -0.027 0.000 0.742 366 V HN 0.325 nan 8.190 nan 0.000 0.474 367 L N -1.482 119.732 121.223 -0.015 0.000 2.556 367 L HA 0.246 4.586 4.340 -0.000 0.000 0.226 367 L C 1.106 178.002 176.870 0.044 0.000 1.089 367 L CA -0.124 54.697 54.840 -0.032 0.000 0.864 367 L CB -0.212 41.765 42.059 -0.138 0.000 1.067 367 L HN 0.346 nan 8.230 nan 0.000 0.477 368 H N 1.156 120.232 119.070 0.010 0.000 2.897 368 H HA -0.062 4.494 4.556 -0.000 0.000 0.347 368 H C 0.439 175.785 175.328 0.030 0.000 1.068 368 H CA 0.571 56.639 56.048 0.032 0.000 1.426 368 H CB 0.264 30.056 29.762 0.050 0.000 1.410 368 H HN 0.108 nan 8.280 nan 0.000 0.597 369 D N 2.099 122.064 120.400 -0.725 0.000 2.945 369 D HA -0.205 4.435 4.640 -0.000 0.000 0.225 369 D C -0.313 175.850 176.300 -0.229 0.000 1.158 369 D CA 1.405 55.110 54.000 -0.492 0.000 0.805 369 D CB -0.851 39.692 40.800 -0.428 0.000 1.098 369 D HN 0.763 nan 8.370 nan 0.000 0.426 370 T N -4.055 110.403 114.554 -0.160 0.000 2.905 370 T HA 0.422 4.772 4.350 -0.000 0.000 0.283 370 T C 1.086 175.708 174.700 -0.129 0.000 1.031 370 T CA -0.685 61.353 62.100 -0.102 0.000 1.002 370 T CB 0.882 69.738 68.868 -0.019 0.000 1.200 370 T HN -0.035 nan 8.240 nan 0.000 0.560 371 Y N -0.657 119.572 120.300 -0.118 0.000 2.639 371 Y HA 0.035 4.585 4.550 -0.000 0.000 0.297 371 Y C 1.953 177.768 175.900 -0.140 0.000 1.151 371 Y CA 0.761 58.780 58.100 -0.135 0.000 1.335 371 Y CB -0.416 37.940 38.460 -0.174 0.000 0.994 371 Y HN 0.812 nan 8.280 nan 0.000 0.548 372 Y N -0.983 119.257 120.300 -0.100 0.000 2.293 372 Y HA -0.211 4.339 4.550 -0.000 0.000 0.291 372 Y C 2.126 177.930 175.900 -0.160 0.000 1.137 372 Y CA 1.230 59.243 58.100 -0.144 0.000 1.202 372 Y CB -0.225 38.187 38.460 -0.081 0.000 0.990 372 Y HN -0.100 nan 8.280 nan 0.000 0.537 373 V N -1.173 118.755 119.914 0.023 0.000 2.407 373 V HA -0.298 3.822 4.120 -0.000 0.000 0.248 373 V C 2.222 178.178 176.094 -0.229 0.000 1.055 373 V CA 1.685 64.009 62.300 0.040 0.000 1.049 373 V CB -0.815 31.079 31.823 0.118 0.000 0.662 373 V HN 0.297 nan 8.190 nan 0.000 0.455 374 V N 0.365 119.980 119.914 -0.498 0.000 2.427 374 V HA -0.224 3.896 4.120 -0.000 0.000 0.248 374 V C 2.706 178.317 176.094 -0.805 0.000 1.051 374 V CA 1.889 63.593 62.300 -0.994 0.000 1.048 374 V CB -1.095 30.307 31.823 -0.701 0.000 0.666 374 V HN 0.552 nan 8.190 nan 0.000 0.456 375 A N 0.052 122.552 122.820 -0.534 0.000 1.877 375 A HA -0.297 4.023 4.320 -0.000 0.000 0.216 375 A C 2.134 179.457 177.584 -0.436 0.000 1.186 375 A CA 2.334 54.041 52.037 -0.550 0.000 0.620 375 A CB -0.850 17.462 19.000 -1.147 0.000 0.822 375 A HN 0.782 nan 8.150 nan 0.000 0.443 376 H N 0.177 118.946 119.070 -0.502 0.000 2.267 376 H HA -0.204 4.352 4.556 -0.000 0.000 0.297 376 H C 1.679 176.887 175.328 -0.200 0.000 1.080 376 H CA 2.429 58.287 56.048 -0.317 0.000 1.278 376 H CB -0.822 28.814 29.762 -0.210 0.000 1.365 376 H HN 0.597 nan 8.280 nan 0.000 0.489 377 F N -1.573 118.017 119.950 -0.600 0.000 2.456 377 F HA 0.119 4.646 4.527 -0.000 0.000 0.298 377 F C 1.841 177.256 175.800 -0.641 0.000 1.104 377 F CA 0.607 58.168 58.000 -0.732 0.000 1.435 377 F CB -0.586 38.123 39.000 -0.486 0.000 1.078 377 F HN 0.161 nan 8.300 nan 0.000 0.546 378 H N -1.270 117.398 119.070 -0.670 0.000 2.470 378 H HA -0.009 4.547 4.556 -0.000 0.000 0.289 378 H C 1.476 176.363 175.328 -0.735 0.000 1.033 378 H CA 1.785 57.328 56.048 -0.841 0.000 1.331 378 H CB -0.355 28.342 29.762 -1.774 0.000 1.414 378 H HN 0.244 nan 8.280 nan 0.000 0.545 379 Y N 0.169 120.163 120.300 -0.510 0.000 2.128 379 Y HA -0.241 4.309 4.550 -0.000 0.000 0.284 379 Y C 2.581 178.254 175.900 -0.378 0.000 1.154 379 Y CA 1.615 59.475 58.100 -0.400 0.000 1.149 379 Y CB -0.501 37.762 38.460 -0.328 0.000 0.976 379 Y HN 0.160 nan 8.280 nan 0.000 0.505 380 V N -2.770 116.986 119.914 -0.264 0.000 2.871 380 V HA -0.091 4.029 4.120 -0.000 0.000 0.256 380 V C 1.716 177.727 176.094 -0.138 0.000 1.082 380 V CA 1.230 63.416 62.300 -0.190 0.000 1.105 380 V CB -0.648 31.046 31.823 -0.215 0.000 0.713 380 V HN 0.362 nan 8.190 nan 0.000 0.473 381 L N 0.264 121.356 121.223 -0.218 0.000 2.262 381 L HA 0.156 4.496 4.340 -0.000 0.000 0.197 381 L C 2.646 179.441 176.870 -0.124 0.000 1.073 381 L CA 1.354 56.086 54.840 -0.181 0.000 0.800 381 L CB -0.273 41.625 42.059 -0.268 0.000 0.987 381 L HN 0.359 nan 8.230 nan 0.000 0.470 382 S N -0.702 114.887 115.700 -0.186 0.000 2.528 382 S HA 0.099 4.569 4.470 -0.000 0.000 0.219 382 S C 1.470 176.021 174.600 -0.081 0.000 0.985 382 S CA 0.272 58.433 58.200 -0.065 0.000 0.914 382 S CB 0.117 63.284 63.200 -0.056 0.000 0.776 382 S HN 0.306 nan 8.310 nan 0.000 0.526 383 M N 0.032 119.451 119.600 -0.302 0.000 2.347 383 M HA 0.366 4.846 4.480 -0.000 0.000 0.324 383 M C 1.395 177.440 176.300 -0.425 0.000 1.028 383 M CA 0.058 54.973 55.300 -0.642 0.000 0.988 383 M CB 1.169 33.253 32.600 -0.861 0.000 1.528 383 M HN 0.348 nan 8.290 nan 0.000 0.550 384 G N 0.120 108.860 108.800 -0.100 0.000 2.531 384 G HA2 0.298 4.258 3.960 -0.000 0.000 0.210 384 G HA3 0.298 4.258 3.960 -0.000 0.000 0.210 384 G C 1.359 176.511 174.900 0.421 0.000 1.547 384 G CA 0.628 45.751 45.100 0.038 0.000 0.740 384 G HN 0.280 nan 8.290 nan 0.000 0.611 385 A N 0.192 123.155 122.820 0.237 0.000 1.892 385 A HA -0.021 4.299 4.320 -0.000 0.000 0.218 385 A C 2.531 180.239 177.584 0.206 0.000 1.188 385 A CA 2.396 54.541 52.037 0.179 0.000 0.631 385 A CB -0.903 18.116 19.000 0.032 0.000 0.822 385 A HN 0.385 nan 8.150 nan 0.000 0.447 386 V N -1.577 118.470 119.914 0.221 0.000 2.453 386 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 386 V C 2.267 178.558 176.094 0.328 0.000 1.048 386 V CA 1.665 64.106 62.300 0.235 0.000 1.049 386 V CB -0.787 31.184 31.823 0.247 0.000 0.672 386 V HN 0.629 nan 8.190 nan 0.000 0.457 387 F N 0.215 120.293 119.950 0.213 0.000 2.186 387 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 387 F C 2.483 178.387 175.800 0.172 0.000 1.090 387 F CA 0.766 58.960 58.000 0.323 0.000 1.307 387 F CB -0.289 39.106 39.000 0.659 0.000 1.019 387 F HN 0.155 nan 8.300 nan 0.000 0.489 388 A N 0.761 123.810 122.820 0.382 0.000 1.877 388 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 388 A C 2.079 179.633 177.584 -0.050 0.000 1.186 388 A CA 1.495 53.560 52.037 0.048 0.000 0.620 388 A CB -1.051 17.917 19.000 -0.053 0.000 0.822 388 A HN 0.370 nan 8.150 nan 0.000 0.443 389 I N -0.808 119.769 120.570 0.011 0.000 2.118 389 I HA -0.333 3.837 4.170 -0.000 0.000 0.241 389 I C 2.675 178.783 176.117 -0.014 0.000 1.070 389 I CA 1.500 62.819 61.300 0.032 0.000 1.327 389 I CB -0.291 37.783 38.000 0.123 0.000 1.034 389 I HN 0.267 nan 8.210 nan 0.000 0.405 390 M N 0.260 119.691 119.600 -0.283 0.000 2.108 390 M HA -0.126 4.354 4.480 -0.000 0.000 0.261 390 M C 2.408 178.377 176.300 -0.550 0.000 1.066 390 M CA 1.957 56.879 55.300 -0.631 0.000 1.107 390 M CB -2.077 29.407 32.600 -1.860 0.000 1.356 390 M HN 0.342 nan 8.290 nan 0.000 0.406 391 G N -0.429 108.104 108.800 -0.445 0.000 2.446 391 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 391 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 391 G C 1.599 176.467 174.900 -0.053 0.000 1.168 391 G CA 1.099 46.126 45.100 -0.122 0.000 0.771 391 G HN 0.560 nan 8.290 nan 0.000 0.551 392 G N 0.112 108.867 108.800 -0.076 0.000 2.422 392 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.218 392 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.218 392 G C 1.621 176.714 174.900 0.322 0.000 1.146 392 G CA 0.873 45.961 45.100 -0.020 0.000 0.769 392 G HN 0.356 nan 8.290 nan 0.000 0.547 393 F N 1.826 121.949 119.950 0.288 0.000 2.163 393 F HA -0.068 4.459 4.527 -0.000 0.000 0.297 393 F C 2.694 178.641 175.800 0.245 0.000 1.094 393 F CA 1.627 59.902 58.000 0.459 0.000 1.290 393 F CB -0.192 39.002 39.000 0.324 0.000 1.017 393 F HN 0.061 nan 8.300 nan 0.000 0.483 394 V N -1.908 118.089 119.914 0.139 0.000 2.591 394 V HA -0.165 3.955 4.120 -0.000 0.000 0.249 394 V C 2.412 178.522 176.094 0.027 0.000 1.053 394 V CA 2.159 64.489 62.300 0.050 0.000 1.068 394 V CB -1.368 30.558 31.823 0.171 0.000 0.689 394 V HN 0.442 nan 8.190 nan 0.000 0.462 395 H N -0.677 118.330 119.070 -0.105 0.000 2.326 395 H HA -0.084 4.472 4.556 -0.000 0.000 0.301 395 H C 1.782 176.959 175.328 -0.251 0.000 1.081 395 H CA 2.267 58.179 56.048 -0.228 0.000 1.334 395 H CB -0.177 29.266 29.762 -0.532 0.000 1.385 395 H HN 0.546 nan 8.280 nan 0.000 0.504 396 W N -0.514 120.564 121.300 -0.369 0.000 3.177 396 W HA 0.060 4.720 4.660 -0.000 0.000 0.309 396 W C 1.515 177.334 176.519 -1.168 0.000 1.224 396 W CA -0.352 56.460 57.345 -0.887 0.000 1.718 396 W CB -0.779 28.040 29.460 -1.068 0.000 1.078 396 W HN 0.185 nan 8.180 nan 0.000 0.618 397 F N 2.954 122.478 119.950 -0.709 0.000 2.115 397 F HA -0.206 4.321 4.527 -0.000 0.000 0.300 397 F C -0.788 174.732 175.800 -0.466 0.000 1.092 397 F CA 2.000 59.580 58.000 -0.700 0.000 1.245 397 F CB -1.434 37.115 39.000 -0.750 0.000 0.995 397 F HN -0.246 nan 8.300 nan 0.000 0.481 398 P HA -0.161 nan 4.420 nan 0.000 0.217 398 P C 1.866 179.007 177.300 -0.266 0.000 1.150 398 P CA 1.191 64.173 63.100 -0.196 0.000 0.832 398 P CB -0.124 31.630 31.700 0.090 0.000 0.787 399 L N -1.368 119.594 121.223 -0.435 0.000 2.017 399 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 399 L C 2.014 178.560 176.870 -0.541 0.000 1.073 399 L CA 2.069 56.538 54.840 -0.618 0.000 0.745 399 L CB -1.381 39.971 42.059 -1.178 0.000 0.894 399 L HN -0.160 nan 8.230 nan 0.000 0.432 400 F N -0.493 118.967 119.950 -0.816 0.000 2.206 400 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 400 F C 2.757 178.210 175.800 -0.578 0.000 1.090 400 F CA 1.024 58.388 58.000 -1.061 0.000 1.323 400 F CB -1.532 36.781 39.000 -1.145 0.000 1.028 400 F HN 0.390 nan 8.300 nan 0.000 0.492 401 S N -1.768 113.606 115.700 -0.543 0.000 2.506 401 S HA 0.419 4.889 4.470 -0.000 0.000 0.219 401 S C 1.818 176.082 174.600 -0.559 0.000 1.031 401 S CA 0.447 58.354 58.200 -0.490 0.000 0.911 401 S CB 0.344 63.007 63.200 -0.895 0.000 0.812 401 S HN 0.508 nan 8.310 nan 0.000 0.497 402 G N 0.201 108.705 108.800 -0.494 0.000 2.179 402 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.260 402 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.260 402 G C -0.246 174.355 174.900 -0.500 0.000 0.977 402 G CA 0.554 45.374 45.100 -0.467 0.000 0.641 402 G HN 0.545 nan 8.290 nan 0.000 0.533 403 Y N 0.436 120.626 120.300 -0.184 0.000 2.570 403 Y HA 0.692 5.242 4.550 -0.000 0.000 0.345 403 Y C 0.790 176.688 175.900 -0.003 0.000 1.014 403 Y CA -0.771 57.274 58.100 -0.092 0.000 1.063 403 Y CB 1.634 40.018 38.460 -0.126 0.000 1.272 403 Y HN 0.325 nan 8.280 nan 0.000 0.477 404 T N -0.124 114.567 114.554 0.229 0.000 2.929 404 T HA 0.745 5.095 4.350 -0.000 0.000 0.284 404 T C -0.293 174.481 174.700 0.123 0.000 1.014 404 T CA -0.861 61.343 62.100 0.174 0.000 1.051 404 T CB 0.752 69.680 68.868 0.100 0.000 1.028 404 T HN 0.474 nan 8.240 nan 0.000 0.485 405 L N 2.034 123.293 121.223 0.060 0.000 2.456 405 L HA 0.355 4.695 4.340 -0.000 0.000 0.257 405 L C 1.204 178.089 176.870 0.026 0.000 1.162 405 L CA -1.019 53.790 54.840 -0.052 0.000 0.808 405 L CB 0.314 42.312 42.059 -0.101 0.000 1.136 405 L HN 0.717 nan 8.230 nan 0.000 0.466 406 N N 1.112 119.849 118.700 0.063 0.000 2.399 406 N HA -0.040 4.700 4.740 -0.000 0.000 0.259 406 N C 0.151 175.755 175.510 0.157 0.000 1.160 406 N CA -0.115 53.022 53.050 0.146 0.000 0.946 406 N CB 0.968 39.647 38.487 0.320 0.000 1.156 406 N HN 0.532 nan 8.380 nan 0.000 0.489 407 D N 2.352 122.813 120.400 0.101 0.000 2.182 407 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 407 D C 1.206 177.566 176.300 0.100 0.000 0.986 407 D CA 1.456 55.512 54.000 0.094 0.000 0.847 407 D CB 0.175 41.010 40.800 0.058 0.000 0.942 407 D HN 0.552 nan 8.370 nan 0.000 0.467 408 T N -0.751 113.842 114.554 0.065 0.000 2.737 408 T HA -0.147 4.203 4.350 -0.000 0.000 0.265 408 T C 1.740 176.479 174.700 0.065 0.000 1.038 408 T CA 0.851 62.949 62.100 -0.003 0.000 1.144 408 T CB -0.457 68.338 68.868 -0.123 0.000 0.866 408 T HN 0.338 nan 8.240 nan 0.000 0.434 409 W N 1.332 122.697 121.300 0.107 0.000 2.338 409 W HA -0.067 4.593 4.660 -0.000 0.000 0.304 409 W C 2.842 179.472 176.519 0.185 0.000 1.212 409 W CA 0.603 58.043 57.345 0.158 0.000 1.264 409 W CB -0.286 29.279 29.460 0.177 0.000 1.142 409 W HN 0.209 nan 8.180 nan 0.000 0.512 410 A N 0.249 123.304 122.820 0.393 0.000 1.972 410 A HA -0.198 4.122 4.320 -0.000 0.000 0.219 410 A C 1.811 179.600 177.584 0.342 0.000 1.169 410 A CA 1.746 54.006 52.037 0.372 0.000 0.635 410 A CB -0.548 18.617 19.000 0.276 0.000 0.810 410 A HN 0.306 nan 8.150 nan 0.000 0.446 411 K N -0.472 120.054 120.400 0.210 0.000 2.103 411 K HA 0.036 4.356 4.320 -0.000 0.000 0.204 411 K C 1.720 178.424 176.600 0.172 0.000 1.052 411 K CA 1.299 57.662 56.287 0.127 0.000 0.945 411 K CB -0.312 32.212 32.500 0.040 0.000 0.722 411 K HN 0.512 nan 8.250 nan 0.000 0.443 412 I N 0.806 121.497 120.570 0.202 0.000 2.226 412 I HA -0.328 3.842 4.170 -0.000 0.000 0.245 412 I C 2.715 178.982 176.117 0.250 0.000 1.100 412 I CA 1.339 62.761 61.300 0.204 0.000 1.374 412 I CB -0.487 37.666 38.000 0.254 0.000 1.057 412 I HN 0.345 nan 8.210 nan 0.000 0.413 413 H N 0.975 120.206 119.070 0.268 0.000 2.319 413 H HA -0.283 4.273 4.556 -0.000 0.000 0.299 413 H C 2.288 177.731 175.328 0.192 0.000 1.092 413 H CA 2.322 58.532 56.048 0.271 0.000 1.302 413 H CB -0.249 29.720 29.762 0.345 0.000 1.373 413 H HN 0.352 nan 8.280 nan 0.000 0.497 414 F N 1.606 121.408 119.950 -0.247 0.000 2.095 414 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 414 F C 2.683 178.228 175.800 -0.425 0.000 1.104 414 F CA 1.890 59.439 58.000 -0.753 0.000 1.232 414 F CB -0.898 37.509 39.000 -0.989 0.000 0.987 414 F HN 0.230 nan 8.300 nan 0.000 0.475 415 A N 0.987 123.636 122.820 -0.285 0.000 1.883 415 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 415 A C 2.328 179.799 177.584 -0.187 0.000 1.186 415 A CA 2.226 54.103 52.037 -0.267 0.000 0.624 415 A CB -1.351 17.624 19.000 -0.042 0.000 0.822 415 A HN 0.543 nan 8.150 nan 0.000 0.444 416 I N -1.530 118.983 120.570 -0.095 0.000 2.179 416 I HA -0.278 3.892 4.170 -0.000 0.000 0.242 416 I C 2.669 178.757 176.117 -0.049 0.000 1.088 416 I CA 1.970 63.258 61.300 -0.020 0.000 1.357 416 I CB -0.253 37.782 38.000 0.058 0.000 1.051 416 I HN 0.447 nan 8.210 nan 0.000 0.409 417 M N 0.446 119.964 119.600 -0.136 0.000 2.117 417 M HA -0.245 4.235 4.480 -0.000 0.000 0.262 417 M C 2.128 178.413 176.300 -0.025 0.000 1.065 417 M CA 1.870 57.133 55.300 -0.061 0.000 1.114 417 M CB -0.535 32.025 32.600 -0.067 0.000 1.361 417 M HN 0.172 nan 8.290 nan 0.000 0.408 418 F N -0.272 119.450 119.950 -0.380 0.000 2.120 418 F HA -0.233 4.294 4.527 -0.000 0.000 0.300 418 F C 1.844 177.591 175.800 -0.087 0.000 1.095 418 F CA 1.984 59.829 58.000 -0.258 0.000 1.249 418 F CB -0.511 38.066 39.000 -0.704 0.000 0.995 418 F HN -0.003 nan 8.300 nan 0.000 0.480 419 V N 0.200 120.133 119.914 0.033 0.000 2.261 419 V HA -0.244 3.876 4.120 -0.000 0.000 0.246 419 V C 2.758 178.820 176.094 -0.052 0.000 1.047 419 V CA 1.959 64.261 62.300 0.003 0.000 1.015 419 V CB -1.660 30.192 31.823 0.050 0.000 0.642 419 V HN 0.536 nan 8.190 nan 0.000 0.446 420 G N 0.680 109.465 108.800 -0.025 0.000 2.514 420 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 420 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 420 G C 1.780 176.641 174.900 -0.066 0.000 1.198 420 G CA 1.894 46.981 45.100 -0.022 0.000 0.780 420 G HN 0.595 nan 8.290 nan 0.000 0.565 421 V N -0.604 119.291 119.914 -0.032 0.000 2.407 421 V HA -0.165 3.955 4.120 -0.000 0.000 0.248 421 V C 2.262 178.303 176.094 -0.090 0.000 1.055 421 V CA 2.223 64.522 62.300 -0.002 0.000 1.049 421 V CB -0.657 31.239 31.823 0.122 0.000 0.662 421 V HN 0.265 nan 8.190 nan 0.000 0.455 422 N N 0.069 118.660 118.700 -0.182 0.000 2.188 422 N HA -0.079 4.661 4.740 -0.000 0.000 0.184 422 N C 1.836 177.347 175.510 0.001 0.000 1.018 422 N CA 2.080 55.059 53.050 -0.118 0.000 0.858 422 N CB -0.241 38.089 38.487 -0.262 0.000 0.989 422 N HN 0.599 nan 8.380 nan 0.000 0.426 423 M N 0.669 120.237 119.600 -0.053 0.000 2.254 423 M HA -0.085 4.395 4.480 -0.000 0.000 0.265 423 M C 1.461 177.702 176.300 -0.097 0.000 1.066 423 M CA 1.144 56.434 55.300 -0.017 0.000 1.123 423 M CB -0.025 32.566 32.600 -0.015 0.000 1.388 423 M HN -0.021 nan 8.290 nan 0.000 0.425 424 T N -0.006 114.385 114.554 -0.272 0.000 2.777 424 T HA -0.064 4.286 4.350 -0.000 0.000 0.266 424 T C 1.121 175.437 174.700 -0.639 0.000 1.040 424 T CA 1.461 63.216 62.100 -0.575 0.000 1.141 424 T CB -0.222 68.034 68.868 -1.020 0.000 0.868 424 T HN 0.418 nan 8.240 nan 0.000 0.444 425 F N -0.978 118.914 119.950 -0.097 0.000 2.653 425 F HA 0.342 4.869 4.527 -0.000 0.000 0.288 425 F C 1.698 177.489 175.800 -0.015 0.000 1.121 425 F CA -0.627 57.301 58.000 -0.120 0.000 1.384 425 F CB -0.109 38.760 39.000 -0.219 0.000 1.115 425 F HN 0.003 nan 8.300 nan 0.000 0.599 426 F N 2.905 122.952 119.950 0.162 0.000 2.095 426 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 426 F C -0.935 174.719 175.800 -0.244 0.000 1.104 426 F CA 1.387 59.461 58.000 0.123 0.000 1.232 426 F CB -1.562 37.479 39.000 0.069 0.000 0.987 426 F HN -0.152 nan 8.300 nan 0.000 0.475 427 P HA -0.143 nan 4.420 nan 0.000 0.223 427 P C 1.102 178.036 177.300 -0.611 0.000 1.151 427 P CA 1.431 64.182 63.100 -0.581 0.000 0.787 427 P CB -0.209 31.448 31.700 -0.073 0.000 0.788 428 Q N -1.492 118.047 119.800 -0.434 0.000 2.291 428 Q HA -0.200 4.140 4.340 -0.000 0.000 0.206 428 Q C 1.642 177.355 176.000 -0.479 0.000 0.976 428 Q CA 1.178 56.776 55.803 -0.341 0.000 0.875 428 Q CB -0.743 27.931 28.738 -0.106 0.000 0.927 428 Q HN 0.534 nan 8.270 nan 0.000 0.450 429 H N -0.556 118.063 119.070 -0.751 0.000 2.353 429 H HA -0.128 4.428 4.556 -0.000 0.000 0.300 429 H C 1.470 176.569 175.328 -0.382 0.000 1.090 429 H CA 1.503 57.143 56.048 -0.679 0.000 1.327 429 H CB -0.117 29.055 29.762 -0.984 0.000 1.383 429 H HN 0.195 nan 8.280 nan 0.000 0.508 430 F N 0.409 120.183 119.950 -0.292 0.000 2.102 430 F HA -0.110 4.417 4.527 -0.000 0.000 0.298 430 F C 2.267 178.028 175.800 -0.064 0.000 1.105 430 F CA 0.789 58.628 58.000 -0.268 0.000 1.239 430 F CB -1.090 37.447 39.000 -0.772 0.000 0.991 430 F HN 0.076 nan 8.300 nan 0.000 0.474 431 L N -0.372 120.893 121.223 0.071 0.000 2.079 431 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 431 L C 2.659 179.548 176.870 0.032 0.000 1.081 431 L CA 1.599 56.466 54.840 0.044 0.000 0.752 431 L CB -1.281 40.669 42.059 -0.181 0.000 0.896 431 L HN 0.297 nan 8.230 nan 0.000 0.433 432 G N -0.736 108.114 108.800 0.083 0.000 2.426 432 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.214 432 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.214 432 G C 1.616 176.583 174.900 0.112 0.000 1.156 432 G CA 0.004 45.175 45.100 0.119 0.000 0.802 432 G HN 0.174 nan 8.290 nan 0.000 0.534 433 L N 1.717 123.030 121.223 0.149 0.000 2.042 433 L HA -0.108 4.232 4.340 -0.000 0.000 0.210 433 L C 3.049 179.985 176.870 0.110 0.000 1.076 433 L CA 1.626 56.516 54.840 0.083 0.000 0.749 433 L CB -0.294 41.838 42.059 0.121 0.000 0.893 433 L HN 0.420 nan 8.230 nan 0.000 0.432 434 S N -1.015 114.797 115.700 0.186 0.000 2.603 434 S HA 0.172 4.642 4.470 -0.000 0.000 0.220 434 S C 1.358 176.143 174.600 0.309 0.000 0.967 434 S CA 0.346 58.700 58.200 0.256 0.000 0.920 434 S CB 0.489 63.909 63.200 0.367 0.000 0.773 434 S HN 0.559 nan 8.310 nan 0.000 0.529 435 G N 1.043 109.947 108.800 0.172 0.000 2.138 435 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.193 435 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.193 435 G C -0.156 174.719 174.900 -0.042 0.000 0.998 435 G CA -0.022 45.139 45.100 0.102 0.000 0.668 435 G HN 0.572 nan 8.290 nan 0.000 0.516 436 M N 1.587 121.000 119.600 -0.313 0.000 2.251 436 M HA 0.387 4.867 4.480 -0.000 0.000 0.346 436 M C -2.071 174.058 176.300 -0.284 0.000 1.499 436 M CA -1.464 53.467 55.300 -0.615 0.000 1.128 436 M CB 0.622 32.709 32.600 -0.857 0.000 1.809 436 M HN -0.031 nan 8.290 nan 0.000 0.464 437 P HA 0.089 nan 4.420 nan 0.000 0.269 437 P C -0.980 176.155 177.300 -0.275 0.000 1.215 437 P CA 0.076 62.881 63.100 -0.493 0.000 0.780 437 P CB 0.496 31.532 31.700 -1.107 0.000 0.898 438 R N 1.946 122.317 120.500 -0.215 0.000 2.774 438 R HA 0.206 4.546 4.340 -0.000 0.000 0.269 438 R C 0.543 176.893 176.300 0.084 0.000 1.068 438 R CA -0.014 55.977 56.100 -0.182 0.000 1.180 438 R CB -0.040 30.152 30.300 -0.180 0.000 1.077 438 R HN 0.428 nan 8.270 nan 0.000 0.513 439 R N -0.628 120.018 120.500 0.244 0.000 3.774 439 R HA -0.216 4.124 4.340 -0.000 0.000 0.320 439 R C -1.180 175.481 176.300 0.601 0.000 1.175 439 R CA 0.756 57.091 56.100 0.392 0.000 0.849 439 R CB -1.952 28.503 30.300 0.259 0.000 1.365 439 R HN 0.567 nan 8.270 nan 0.000 0.502 440 Y N -0.623 119.838 120.300 0.269 0.000 2.341 440 Y HA 0.164 4.714 4.550 -0.000 0.000 0.337 440 Y C 1.586 177.419 175.900 -0.112 0.000 1.014 440 Y CA -0.206 57.965 58.100 0.119 0.000 1.111 440 Y CB 1.669 40.211 38.460 0.136 0.000 1.194 440 Y HN 0.173 nan 8.280 nan 0.000 0.462 441 S N 0.275 115.802 115.700 -0.288 0.000 2.527 441 S HA 0.034 4.504 4.470 -0.000 0.000 0.222 441 S C -0.113 174.277 174.600 -0.351 0.000 0.985 441 S CA 0.446 58.221 58.200 -0.709 0.000 0.921 441 S CB 0.130 62.978 63.200 -0.587 0.000 0.772 441 S HN 0.727 nan 8.310 nan 0.000 0.529 442 D N -0.619 119.679 120.400 -0.170 0.000 2.622 442 D HA 0.490 5.130 4.640 -0.000 0.000 0.255 442 D C -1.760 174.522 176.300 -0.030 0.000 1.246 442 D CA -0.773 53.077 54.000 -0.250 0.000 0.795 442 D CB 1.407 42.042 40.800 -0.275 0.000 1.369 442 D HN 0.230 nan 8.370 nan 0.000 0.425 443 Y N -1.703 118.664 120.300 0.112 0.000 2.562 443 Y HA 0.768 5.318 4.550 -0.000 0.000 0.345 443 Y C -2.672 173.363 175.900 0.225 0.000 1.045 443 Y CA -2.411 55.827 58.100 0.230 0.000 1.028 443 Y CB 0.032 38.623 38.460 0.217 0.000 1.297 443 Y HN 0.066 nan 8.280 nan 0.000 0.463 444 P HA 0.045 nan 4.420 nan 0.000 0.269 444 P C 0.052 177.512 177.300 0.267 0.000 1.211 444 P CA 0.159 63.423 63.100 0.273 0.000 0.781 444 P CB 0.887 32.720 31.700 0.221 0.000 0.877 445 D N 0.803 121.262 120.400 0.097 0.000 2.178 445 D HA -0.121 4.519 4.640 -0.000 0.000 0.201 445 D C 1.850 178.162 176.300 0.021 0.000 0.980 445 D CA 1.486 55.536 54.000 0.083 0.000 0.842 445 D CB -0.617 40.189 40.800 0.010 0.000 0.948 445 D HN 0.355 nan 8.370 nan 0.000 0.472 446 A N 0.189 122.926 122.820 -0.138 0.000 2.024 446 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 446 A C 1.403 178.841 177.584 -0.244 0.000 1.164 446 A CA 0.969 52.851 52.037 -0.259 0.000 0.643 446 A CB -0.856 17.883 19.000 -0.434 0.000 0.806 446 A HN 0.243 nan 8.150 nan 0.000 0.451 447 Y N 0.425 120.738 120.300 0.022 0.000 2.529 447 Y HA 0.029 4.579 4.550 -0.000 0.000 0.290 447 Y C 2.408 178.126 175.900 -0.303 0.000 1.177 447 Y CA 0.588 58.615 58.100 -0.122 0.000 1.305 447 Y CB -1.096 37.251 38.460 -0.188 0.000 1.047 447 Y HN 0.238 nan 8.280 nan 0.000 0.522 448 T N 0.034 114.583 114.554 -0.008 0.000 2.720 448 T HA -0.287 4.063 4.350 -0.000 0.000 0.268 448 T C 2.089 176.707 174.700 -0.136 0.000 1.037 448 T CA 1.689 63.800 62.100 0.018 0.000 1.144 448 T CB -0.213 68.719 68.868 0.105 0.000 0.864 448 T HN 0.445 nan 8.240 nan 0.000 0.444 449 M N -0.671 118.763 119.600 -0.278 0.000 2.175 449 M HA -0.062 4.418 4.480 -0.000 0.000 0.264 449 M C 1.797 177.941 176.300 -0.261 0.000 1.063 449 M CA 1.641 56.709 55.300 -0.387 0.000 1.119 449 M CB -0.164 32.020 32.600 -0.693 0.000 1.377 449 M HN 0.414 nan 8.290 nan 0.000 0.415 450 W N 0.419 121.692 121.300 -0.045 0.000 2.409 450 W HA -0.094 4.566 4.660 -0.000 0.000 0.299 450 W C 2.171 178.602 176.519 -0.146 0.000 1.203 450 W CA -0.046 57.272 57.345 -0.044 0.000 1.298 450 W CB -0.619 28.851 29.460 0.017 0.000 1.127 450 W HN 0.253 nan 8.180 nan 0.000 0.528 451 N N 0.122 118.784 118.700 -0.063 0.000 2.166 451 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 451 N C 1.513 176.983 175.510 -0.067 0.000 1.019 451 N CA 2.068 55.002 53.050 -0.193 0.000 0.856 451 N CB -0.681 37.509 38.487 -0.495 0.000 0.993 451 N HN 0.097 nan 8.380 nan 0.000 0.426 452 T N 1.795 116.328 114.554 -0.034 0.000 2.708 452 T HA 0.000 4.350 4.350 -0.000 0.000 0.266 452 T C 2.141 176.831 174.700 -0.017 0.000 1.037 452 T CA 0.623 62.711 62.100 -0.019 0.000 1.146 452 T CB -0.086 68.764 68.868 -0.030 0.000 0.865 452 T HN 0.180 nan 8.240 nan 0.000 0.435 453 I N 0.939 121.526 120.570 0.028 0.000 2.226 453 I HA -0.178 3.992 4.170 -0.000 0.000 0.245 453 I C 2.803 178.928 176.117 0.014 0.000 1.100 453 I CA 1.058 62.393 61.300 0.059 0.000 1.374 453 I CB -0.341 37.774 38.000 0.192 0.000 1.057 453 I HN 0.255 nan 8.210 nan 0.000 0.413 454 S N 0.040 115.733 115.700 -0.012 0.000 2.368 454 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 454 S C 2.202 176.729 174.600 -0.123 0.000 1.030 454 S CA 2.033 60.165 58.200 -0.112 0.000 0.999 454 S CB -0.143 62.962 63.200 -0.159 0.000 0.844 454 S HN 0.394 nan 8.310 nan 0.000 0.459 455 S N 1.226 116.885 115.700 -0.067 0.000 2.383 455 S HA 0.034 4.504 4.470 -0.000 0.000 0.227 455 S C 1.889 176.481 174.600 -0.014 0.000 1.026 455 S CA 1.437 59.623 58.200 -0.023 0.000 0.981 455 S CB -0.374 62.824 63.200 -0.003 0.000 0.818 455 S HN 0.525 nan 8.310 nan 0.000 0.472 456 M N 1.024 120.585 119.600 -0.066 0.000 2.117 456 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 456 M C 2.481 178.783 176.300 0.003 0.000 1.065 456 M CA 1.515 56.765 55.300 -0.082 0.000 1.114 456 M CB -0.889 31.666 32.600 -0.075 0.000 1.361 456 M HN 0.463 nan 8.290 nan 0.000 0.408 457 G N -0.047 108.738 108.800 -0.025 0.000 2.450 457 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 457 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 457 G C 1.631 176.518 174.900 -0.021 0.000 1.130 457 G CA 1.328 46.402 45.100 -0.043 0.000 0.760 457 G HN 0.574 nan 8.290 nan 0.000 0.557 458 S N -0.346 115.352 115.700 -0.003 0.000 2.428 458 S HA 0.071 4.541 4.470 -0.000 0.000 0.230 458 S C 2.074 176.758 174.600 0.139 0.000 1.014 458 S CA 0.565 58.776 58.200 0.017 0.000 0.957 458 S CB -0.525 62.673 63.200 -0.005 0.000 0.784 458 S HN 0.319 nan 8.310 nan 0.000 0.499 459 F N 1.459 121.384 119.950 -0.042 0.000 2.325 459 F HA 0.223 4.750 4.527 -0.000 0.000 0.299 459 F C 2.106 177.905 175.800 -0.003 0.000 1.090 459 F CA 0.589 58.580 58.000 -0.016 0.000 1.392 459 F CB -0.175 38.819 39.000 -0.011 0.000 1.053 459 F HN 0.200 nan 8.300 nan 0.000 0.521 460 I N -1.127 119.546 120.570 0.173 0.000 2.315 460 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 460 I C 2.260 178.424 176.117 0.078 0.000 1.117 460 I CA 1.040 62.402 61.300 0.104 0.000 1.404 460 I CB -0.555 37.485 38.000 0.066 0.000 1.071 460 I HN -0.017 nan 8.210 nan 0.000 0.419 461 S N 0.984 116.722 115.700 0.062 0.000 2.383 461 S HA -0.131 4.339 4.470 -0.000 0.000 0.227 461 S C 1.922 176.562 174.600 0.067 0.000 1.026 461 S CA 0.887 59.130 58.200 0.073 0.000 0.981 461 S CB -0.370 62.875 63.200 0.075 0.000 0.818 461 S HN 0.295 nan 8.310 nan 0.000 0.472 462 L N 2.182 123.412 121.223 0.012 0.000 2.013 462 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 462 L C 2.221 179.098 176.870 0.013 0.000 1.073 462 L CA 1.995 56.811 54.840 -0.039 0.000 0.753 462 L CB -1.502 40.441 42.059 -0.193 0.000 0.890 462 L HN 0.206 nan 8.230 nan 0.000 0.432 463 T N -0.146 114.434 114.554 0.043 0.000 2.759 463 T HA -0.174 4.176 4.350 -0.000 0.000 0.269 463 T C 1.888 176.657 174.700 0.116 0.000 1.042 463 T CA 1.367 63.508 62.100 0.068 0.000 1.140 463 T CB -0.545 68.374 68.868 0.084 0.000 0.864 463 T HN 0.567 nan 8.240 nan 0.000 0.455 464 A N 0.809 123.719 122.820 0.152 0.000 1.902 464 A HA -0.033 4.287 4.320 -0.000 0.000 0.217 464 A C 2.567 180.349 177.584 0.330 0.000 1.181 464 A CA 1.265 53.464 52.037 0.271 0.000 0.623 464 A CB -0.900 18.216 19.000 0.193 0.000 0.818 464 A HN 0.367 nan 8.150 nan 0.000 0.443 465 V N -0.051 119.984 119.914 0.201 0.000 2.427 465 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 465 V C 2.619 178.758 176.094 0.075 0.000 1.051 465 V CA 2.102 64.489 62.300 0.144 0.000 1.048 465 V CB -0.700 31.170 31.823 0.079 0.000 0.666 465 V HN 0.564 nan 8.190 nan 0.000 0.456 466 M N -0.930 118.705 119.600 0.058 0.000 2.117 466 M HA -0.187 4.293 4.480 -0.000 0.000 0.262 466 M C 2.230 178.565 176.300 0.059 0.000 1.065 466 M CA 1.776 57.096 55.300 0.033 0.000 1.114 466 M CB -0.515 32.090 32.600 0.007 0.000 1.361 466 M HN 0.320 nan 8.290 nan 0.000 0.408 467 L N 0.400 121.680 121.223 0.096 0.000 2.131 467 L HA -0.176 4.164 4.340 -0.000 0.000 0.210 467 L C 2.416 179.327 176.870 0.068 0.000 1.092 467 L CA 1.655 56.567 54.840 0.119 0.000 0.759 467 L CB -0.501 41.681 42.059 0.206 0.000 0.903 467 L HN 0.307 nan 8.230 nan 0.000 0.435 468 M N -2.135 117.436 119.600 -0.049 0.000 2.175 468 M HA -0.160 4.320 4.480 -0.000 0.000 0.264 468 M C 2.022 178.260 176.300 -0.104 0.000 1.063 468 M CA 1.567 56.708 55.300 -0.266 0.000 1.119 468 M CB -0.030 32.370 32.600 -0.333 0.000 1.377 468 M HN 0.111 nan 8.290 nan 0.000 0.415 469 V N 0.879 120.783 119.914 -0.018 0.000 2.282 469 V HA -0.312 3.808 4.120 -0.000 0.000 0.249 469 V C 2.228 178.373 176.094 0.083 0.000 1.057 469 V CA 2.359 64.681 62.300 0.036 0.000 1.032 469 V CB -1.090 30.759 31.823 0.043 0.000 0.645 469 V HN 0.655 nan 8.190 nan 0.000 0.447 470 F N 0.296 120.221 119.950 -0.042 0.000 2.202 470 F HA -0.189 4.338 4.527 -0.000 0.000 0.301 470 F C 1.997 177.792 175.800 -0.009 0.000 1.082 470 F CA 1.620 59.601 58.000 -0.031 0.000 1.313 470 F CB -0.256 38.632 39.000 -0.185 0.000 1.024 470 F HN 0.094 nan 8.300 nan 0.000 0.495 471 I N -0.149 120.193 120.570 -0.380 0.000 2.286 471 I HA -0.257 3.913 4.170 -0.000 0.000 0.245 471 I C 2.320 178.221 176.117 -0.359 0.000 1.104 471 I CA 1.086 62.103 61.300 -0.472 0.000 1.397 471 I CB -0.327 37.552 38.000 -0.202 0.000 1.072 471 I HN 0.113 nan 8.210 nan 0.000 0.417 472 I N -0.508 119.952 120.570 -0.183 0.000 2.252 472 I HA -0.303 3.867 4.170 -0.000 0.000 0.245 472 I C 2.426 178.566 176.117 0.038 0.000 1.102 472 I CA 1.489 62.733 61.300 -0.094 0.000 1.385 472 I CB -0.440 37.637 38.000 0.128 0.000 1.064 472 I HN 0.414 nan 8.210 nan 0.000 0.414 473 W N 2.296 123.534 121.300 -0.102 0.000 2.333 473 W HA -0.260 4.400 4.660 -0.000 0.000 0.316 473 W C 2.546 178.968 176.519 -0.162 0.000 1.215 473 W CA 1.869 59.185 57.345 -0.048 0.000 1.278 473 W CB -0.293 29.113 29.460 -0.090 0.000 1.154 473 W HN 0.063 nan 8.180 nan 0.000 0.486 474 E N 0.595 120.477 120.200 -0.529 0.000 2.171 474 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 474 E C 2.027 178.286 176.600 -0.567 0.000 0.997 474 E CA 1.848 57.789 56.400 -0.764 0.000 0.810 474 E CB -0.512 28.726 29.700 -0.771 0.000 0.738 474 E HN 0.366 nan 8.360 nan 0.000 0.467 475 A N -0.205 122.358 122.820 -0.429 0.000 1.872 475 A HA -0.068 4.252 4.320 -0.000 0.000 0.214 475 A C 2.077 179.406 177.584 -0.425 0.000 1.187 475 A CA 0.903 52.728 52.037 -0.353 0.000 0.614 475 A CB -0.889 17.911 19.000 -0.333 0.000 0.826 475 A HN 0.287 nan 8.150 nan 0.000 0.442 476 F N 0.103 119.897 119.950 -0.259 0.000 2.365 476 F HA -0.025 4.502 4.527 -0.000 0.000 0.300 476 F C 2.666 178.170 175.800 -0.495 0.000 1.090 476 F CA 0.628 58.434 58.000 -0.325 0.000 1.408 476 F CB 0.006 38.947 39.000 -0.097 0.000 1.060 476 F HN 0.281 nan 8.300 nan 0.000 0.534 477 A N -0.986 121.516 122.820 -0.529 0.000 1.897 477 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 477 A C 2.295 179.622 177.584 -0.428 0.000 1.181 477 A CA 1.987 53.633 52.037 -0.651 0.000 0.620 477 A CB -0.734 17.429 19.000 -1.395 0.000 0.821 477 A HN 0.267 nan 8.150 nan 0.000 0.443 478 S N -1.193 114.259 115.700 -0.413 0.000 2.441 478 S HA 0.098 4.568 4.470 -0.000 0.000 0.224 478 S C 0.282 174.725 174.600 -0.261 0.000 1.043 478 S CA 0.405 58.439 58.200 -0.277 0.000 0.948 478 S CB -0.042 63.031 63.200 -0.212 0.000 0.810 478 S HN 0.566 nan 8.310 nan 0.000 0.504 479 K N 1.317 121.451 120.400 -0.442 0.000 3.372 479 K HA -0.153 4.167 4.320 -0.000 0.000 0.272 479 K C -0.917 175.625 176.600 -0.096 0.000 1.037 479 K CA 0.271 56.242 56.287 -0.527 0.000 0.777 479 K CB -1.223 31.075 32.500 -0.337 0.000 1.347 479 K HN 0.339 nan 8.250 nan 0.000 0.460 480 R N 1.823 122.311 120.500 -0.020 0.000 2.248 480 R HA 0.111 4.451 4.340 -0.000 0.000 0.337 480 R C 0.032 176.458 176.300 0.210 0.000 1.085 480 R CA -0.121 56.027 56.100 0.080 0.000 0.934 480 R CB 0.510 30.839 30.300 0.049 0.000 1.034 480 R HN 0.260 nan 8.270 nan 0.000 0.465 481 E N 1.785 122.103 120.200 0.196 0.000 2.301 481 E HA 0.123 4.473 4.350 -0.000 0.000 0.275 481 E C -0.134 176.519 176.600 0.088 0.000 1.030 481 E CA -0.606 55.902 56.400 0.179 0.000 0.852 481 E CB 1.583 31.365 29.700 0.138 0.000 1.060 481 E HN 0.189 nan 8.360 nan 0.000 0.401 482 V N 4.181 124.122 119.914 0.046 0.000 2.763 482 V HA -0.082 4.038 4.120 -0.000 0.000 0.306 482 V C 1.116 177.228 176.094 0.031 0.000 1.059 482 V CA 0.691 63.012 62.300 0.036 0.000 1.138 482 V CB 0.470 32.312 31.823 0.033 0.000 0.940 482 V HN 0.695 nan 8.190 nan 0.000 0.489 483 L N 2.580 123.818 121.223 0.025 0.000 2.546 483 L HA 0.258 4.598 4.340 -0.000 0.000 0.182 483 L C 0.770 177.649 176.870 0.014 0.000 1.167 483 L CA 0.702 55.554 54.840 0.020 0.000 0.845 483 L CB 0.301 42.370 42.059 0.017 0.000 1.134 483 L HN 0.628 nan 8.230 nan 0.000 0.500 484 T N 0.239 114.792 114.554 -0.001 0.000 2.886 484 T HA 0.533 4.883 4.350 -0.000 0.000 0.292 484 T C -0.902 173.762 174.700 -0.059 0.000 1.012 484 T CA -0.272 61.818 62.100 -0.017 0.000 0.982 484 T CB 2.693 71.550 68.868 -0.018 0.000 1.018 484 T HN -0.260 nan 8.240 nan 0.000 0.451 485 V N 3.435 123.297 119.914 -0.086 0.000 2.448 485 V HA 0.357 4.477 4.120 -0.000 0.000 0.295 485 V C -0.110 175.885 176.094 -0.164 0.000 1.025 485 V CA -0.940 61.233 62.300 -0.213 0.000 0.859 485 V CB 1.826 33.444 31.823 -0.342 0.000 0.988 485 V HN 0.879 nan 8.190 nan 0.000 0.431 486 D N 3.371 123.675 120.400 -0.159 0.000 2.357 486 D HA 0.495 5.135 4.640 -0.000 0.000 0.242 486 D C 0.695 176.908 176.300 -0.145 0.000 1.153 486 D CA -0.051 53.860 54.000 -0.149 0.000 0.918 486 D CB 0.428 41.097 40.800 -0.217 0.000 1.181 486 D HN 0.549 nan 8.370 nan 0.000 0.435 487 L N 0.245 121.385 121.223 -0.139 0.000 3.865 487 L HA -0.287 4.053 4.340 -0.000 0.000 0.408 487 L C 1.633 178.531 176.870 0.047 0.000 1.209 487 L CA 0.488 55.266 54.840 -0.103 0.000 0.940 487 L CB -2.633 39.242 42.059 -0.306 0.000 1.971 487 L HN 0.653 nan 8.230 nan 0.000 0.899 488 T N -4.974 109.618 114.554 0.063 0.000 2.977 488 T HA -0.152 4.198 4.350 -0.000 0.000 0.271 488 T C 1.674 176.468 174.700 0.156 0.000 1.105 488 T CA 1.466 63.658 62.100 0.153 0.000 1.116 488 T CB -0.394 68.561 68.868 0.144 0.000 0.878 488 T HN 0.615 nan 8.240 nan 0.000 0.509 489 T N 0.036 114.650 114.554 0.100 0.000 3.072 489 T HA 0.003 4.353 4.350 -0.000 0.000 0.266 489 T C 1.532 176.302 174.700 0.117 0.000 1.127 489 T CA 1.053 63.211 62.100 0.098 0.000 1.107 489 T CB -0.665 68.238 68.868 0.059 0.000 0.910 489 T HN 0.633 nan 8.240 nan 0.000 0.513 490 T N -1.300 113.338 114.554 0.140 0.000 3.337 490 T HA 0.338 4.688 4.350 -0.000 0.000 0.299 490 T C 0.004 174.852 174.700 0.246 0.000 0.998 490 T CA -0.799 61.394 62.100 0.155 0.000 0.948 490 T CB -0.071 68.860 68.868 0.104 0.000 1.170 490 T HN 0.239 nan 8.240 nan 0.000 0.508 491 N N 1.539 120.430 118.700 0.319 0.000 2.725 491 N HA 0.200 4.940 4.740 -0.000 0.000 0.248 491 N C 0.257 176.048 175.510 0.468 0.000 1.402 491 N CA -0.315 53.020 53.050 0.474 0.000 0.766 491 N CB 1.826 40.696 38.487 0.638 0.000 1.223 491 N HN 0.045 nan 8.380 nan 0.000 0.515 492 L N 2.116 123.556 121.223 0.362 0.000 2.191 492 L HA -0.097 4.243 4.340 -0.000 0.000 0.212 492 L C 2.338 179.415 176.870 0.345 0.000 1.103 492 L CA 1.949 56.984 54.840 0.325 0.000 0.769 492 L CB -0.164 42.055 42.059 0.267 0.000 0.908 492 L HN 0.423 nan 8.230 nan 0.000 0.438 493 E N -1.608 118.775 120.200 0.304 0.000 2.268 493 E HA -0.273 4.077 4.350 -0.000 0.000 0.195 493 E C 1.741 178.382 176.600 0.070 0.000 0.995 493 E CA 1.378 57.876 56.400 0.162 0.000 0.836 493 E CB -0.981 28.720 29.700 0.002 0.000 0.763 493 E HN 0.679 nan 8.360 nan 0.000 0.491 494 W N 0.366 121.787 121.300 0.201 0.000 2.905 494 W HA 0.168 4.828 4.660 -0.000 0.000 0.251 494 W C 1.755 178.338 176.519 0.107 0.000 1.305 494 W CA -0.436 56.987 57.345 0.130 0.000 1.465 494 W CB -0.012 29.512 29.460 0.106 0.000 1.122 494 W HN 0.077 nan 8.180 nan 0.000 0.659 495 L N 0.986 122.399 121.223 0.318 0.000 2.376 495 L HA -0.031 4.309 4.340 -0.000 0.000 0.219 495 L C 1.288 178.228 176.870 0.117 0.000 1.133 495 L CA 1.543 56.513 54.840 0.218 0.000 0.816 495 L CB -0.621 41.569 42.059 0.220 0.000 0.933 495 L HN 0.001 nan 8.230 nan 0.000 0.449 496 N N 0.314 119.061 118.700 0.078 0.000 2.313 496 N HA 0.173 4.913 4.740 -0.000 0.000 0.207 496 N C 0.788 176.323 175.510 0.042 0.000 1.141 496 N CA 0.766 53.817 53.050 0.002 0.000 0.830 496 N CB 0.245 38.669 38.487 -0.105 0.000 1.008 496 N HN 0.368 nan 8.380 nan 0.000 0.481 497 G N 0.447 109.303 108.800 0.095 0.000 2.828 497 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.463 497 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.463 497 G C -0.752 174.201 174.900 0.088 0.000 1.394 497 G CA -0.633 44.522 45.100 0.092 0.000 0.862 497 G HN 0.331 nan 8.290 nan 0.000 0.540 498 C N 2.323 121.658 119.300 0.058 0.000 2.383 498 C HA 0.697 5.157 4.460 -0.000 0.000 0.330 498 C C -1.485 173.471 174.990 -0.057 0.000 1.168 498 C CA -0.756 58.265 59.018 0.005 0.000 1.374 498 C CB 1.209 28.967 27.740 0.030 0.000 2.014 498 C HN 0.838 nan 8.230 nan 0.000 0.439 499 P HA 0.395 nan 4.420 nan 0.000 0.278 499 P C -2.571 174.769 177.300 0.067 0.000 1.258 499 P CA -1.276 61.833 63.100 0.015 0.000 0.811 499 P CB 0.169 31.915 31.700 0.076 0.000 1.063 500 P HA 0.209 nan 4.420 nan 0.000 0.272 500 P C -2.350 174.980 177.300 0.051 0.000 1.240 500 P CA -1.238 61.908 63.100 0.078 0.000 0.791 500 P CB -1.033 30.730 31.700 0.105 0.000 0.978 501 P HA 0.033 nan 4.420 nan 0.000 0.272 501 P C 0.811 178.109 177.300 -0.003 0.000 1.240 501 P CA -0.161 62.951 63.100 0.021 0.000 0.791 501 P CB 0.444 32.156 31.700 0.020 0.000 0.978 502 Y N 0.509 120.713 120.300 -0.159 0.000 2.040 502 Y HA -0.236 4.314 4.550 -0.000 0.000 0.275 502 Y C 1.209 176.923 175.900 -0.311 0.000 1.171 502 Y CA 1.734 59.652 58.100 -0.304 0.000 1.123 502 Y CB -0.148 38.082 38.460 -0.384 0.000 0.963 502 Y HN 0.311 nan 8.280 nan 0.000 0.493 503 H N 0.642 119.737 119.070 0.043 0.000 2.556 503 H HA 0.289 4.845 4.556 -0.000 0.000 0.310 503 H C -0.098 175.215 175.328 -0.026 0.000 1.057 503 H CA 0.147 56.185 56.048 -0.016 0.000 1.264 503 H CB 0.740 30.535 29.762 0.055 0.000 1.404 503 H HN 0.186 nan 8.280 nan 0.000 0.462 504 T N -0.799 113.817 114.554 0.103 0.000 2.932 504 T HA 0.357 4.707 4.350 -0.000 0.000 0.289 504 T C 0.183 174.893 174.700 0.016 0.000 1.039 504 T CA -0.852 61.192 62.100 -0.093 0.000 1.024 504 T CB 1.231 69.985 68.868 -0.190 0.000 1.090 504 T HN 0.430 nan 8.240 nan 0.000 0.496 505 F N -0.618 119.363 119.950 0.052 0.000 3.100 505 F HA -0.222 4.305 4.527 -0.000 0.000 0.283 505 F C 1.350 177.155 175.800 0.008 0.000 0.900 505 F CA 0.515 58.532 58.000 0.028 0.000 1.010 505 F CB -2.512 36.496 39.000 0.012 0.000 1.029 505 F HN 0.788 nan 8.300 nan 0.000 0.637 506 E N 0.366 120.624 120.200 0.097 0.000 2.118 506 E HA -0.213 4.137 4.350 -0.000 0.000 0.195 506 E C 1.111 177.740 176.600 0.049 0.000 0.992 506 E CA 1.486 57.910 56.400 0.040 0.000 0.804 506 E CB 0.020 29.719 29.700 -0.000 0.000 0.741 506 E HN 0.654 nan 8.360 nan 0.000 0.458 507 E N 1.619 121.860 120.200 0.068 0.000 2.109 507 E HA 0.140 4.490 4.350 -0.000 0.000 0.278 507 E C -2.346 174.346 176.600 0.154 0.000 0.954 507 E CA -2.602 53.849 56.400 0.084 0.000 0.779 507 E CB 1.004 30.741 29.700 0.062 0.000 1.093 507 E HN -0.157 nan 8.360 nan 0.000 0.401 508 P HA 0.064 nan 4.420 nan 0.000 0.277 508 P C -0.325 177.100 177.300 0.207 0.000 1.276 508 P CA -0.472 62.740 63.100 0.186 0.000 0.788 508 P CB 0.330 32.074 31.700 0.073 0.000 1.114 509 T N -2.647 112.025 114.554 0.197 0.000 2.828 509 T HA 0.236 4.586 4.350 -0.000 0.000 0.290 509 T C -0.674 174.131 174.700 0.175 0.000 1.019 509 T CA -0.210 62.012 62.100 0.204 0.000 1.031 509 T CB 0.110 69.070 68.868 0.152 0.000 1.001 509 T HN 0.366 nan 8.240 nan 0.000 0.531 510 Y N 1.079 121.415 120.300 0.060 0.000 2.328 510 Y HA 0.581 5.131 4.550 -0.000 0.000 0.337 510 Y C -1.442 174.477 175.900 0.032 0.000 0.966 510 Y CA -1.223 56.900 58.100 0.038 0.000 1.136 510 Y CB 1.038 39.520 38.460 0.038 0.000 1.170 510 Y HN 0.606 nan 8.280 nan 0.000 0.470 511 V N 6.373 126.106 119.914 -0.302 0.000 2.569 511 V HA 0.298 4.418 4.120 -0.000 0.000 0.301 511 V C -0.735 175.160 176.094 -0.332 0.000 1.044 511 V CA -1.239 60.951 62.300 -0.183 0.000 0.874 511 V CB 1.727 33.503 31.823 -0.078 0.000 1.002 511 V HN 0.846 nan 8.190 nan 0.000 0.424 512 N N 3.021 121.586 118.700 -0.225 0.000 2.530 512 N HA 0.291 5.031 4.740 -0.000 0.000 0.273 512 N C 0.856 176.309 175.510 -0.094 0.000 1.173 512 N CA -0.571 52.375 53.050 -0.173 0.000 0.967 512 N CB 1.299 39.784 38.487 -0.005 0.000 1.109 512 N HN 0.604 nan 8.380 nan 0.000 0.453 513 L N 1.724 122.896 121.223 -0.085 0.000 2.095 513 L HA 0.094 4.434 4.340 -0.000 0.000 0.204 513 L C 0.562 177.422 176.870 -0.018 0.000 1.080 513 L CA 1.689 56.502 54.840 -0.046 0.000 0.759 513 L CB -0.319 41.714 42.059 -0.044 0.000 0.914 513 L HN 0.748 nan 8.230 nan 0.000 0.439 514 K N 0.000 120.395 120.400 -0.008 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.292 56.287 0.008 0.000 0.838 514 K CB 0.000 32.507 32.500 0.012 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543