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 2dys_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 0.000 175.805 175.800 0.008 0.000 0.967 2 F CA 0.000 58.038 58.000 0.063 0.000 1.383 2 F CB 0.000 39.051 39.000 0.085 0.000 1.145 3 I N 1.506 122.025 120.570 -0.085 0.000 2.252 3 I HA -0.224 3.946 4.170 -0.000 0.000 0.245 3 I C 1.789 177.505 176.117 -0.668 0.000 1.102 3 I CA 1.500 62.581 61.300 -0.366 0.000 1.385 3 I CB -0.485 37.304 38.000 -0.352 0.000 1.064 3 I HN 0.246 nan 8.210 nan 0.000 0.414 4 N N 0.634 119.040 118.700 -0.489 0.000 2.205 4 N HA -0.194 4.546 4.740 -0.000 0.000 0.186 4 N C 1.894 177.220 175.510 -0.307 0.000 1.015 4 N CA 1.200 54.046 53.050 -0.341 0.000 0.862 4 N CB -0.261 38.137 38.487 -0.149 0.000 0.986 4 N HN 0.317 nan 8.380 nan 0.000 0.429 5 R N -1.162 119.063 120.500 -0.458 0.000 2.066 5 R HA 0.005 4.345 4.340 -0.000 0.000 0.224 5 R C 1.297 177.080 176.300 -0.861 0.000 1.122 5 R CA 0.906 56.581 56.100 -0.708 0.000 0.974 5 R CB -0.069 29.663 30.300 -0.948 0.000 0.871 5 R HN 0.229 nan 8.270 nan 0.000 0.435 6 W N -0.755 120.300 121.300 -0.410 0.000 3.114 6 W HA 0.170 4.830 4.660 -0.000 0.000 0.279 6 W C 1.041 177.549 176.519 -0.019 0.000 1.277 6 W CA -0.539 56.619 57.345 -0.312 0.000 1.630 6 W CB 0.456 29.563 29.460 -0.590 0.000 1.087 6 W HN 0.086 nan 8.180 nan 0.000 0.637 7 L N -1.856 119.372 121.223 0.009 0.000 2.609 7 L HA 0.212 4.552 4.340 -0.000 0.000 0.230 7 L C 0.766 177.798 176.870 0.270 0.000 1.064 7 L CA 0.854 55.713 54.840 0.031 0.000 0.873 7 L CB -0.448 41.412 42.059 -0.333 0.000 1.139 7 L HN -0.171 nan 8.230 nan 0.000 0.490 8 F N -1.023 118.912 119.950 -0.025 0.000 2.708 8 F HA 0.399 4.926 4.527 -0.000 0.000 0.300 8 F C 1.255 177.041 175.800 -0.024 0.000 1.118 8 F CA -1.182 56.800 58.000 -0.031 0.000 1.307 8 F CB -1.009 37.953 39.000 -0.062 0.000 0.986 8 F HN -0.194 nan 8.300 nan 0.000 0.522 9 S N 0.925 116.711 115.700 0.144 0.000 2.558 9 S HA 0.181 4.651 4.470 -0.000 0.000 0.287 9 S C 1.139 175.761 174.600 0.037 0.000 1.321 9 S CA 0.889 59.097 58.200 0.014 0.000 1.048 9 S CB 0.379 63.529 63.200 -0.082 0.000 0.844 9 S HN 0.504 nan 8.310 nan 0.000 0.512 10 T N 0.777 115.324 114.554 -0.012 0.000 3.403 10 T HA 0.282 4.632 4.350 -0.000 0.000 0.308 10 T C -0.167 174.487 174.700 -0.076 0.000 0.952 10 T CA -0.622 61.474 62.100 -0.008 0.000 0.970 10 T CB -0.539 68.347 68.868 0.030 0.000 1.189 10 T HN 0.571 nan 8.240 nan 0.000 0.528 11 N N 1.454 120.037 118.700 -0.195 0.000 2.408 11 N HA 0.160 4.900 4.740 -0.000 0.000 0.280 11 N C 1.075 176.344 175.510 -0.401 0.000 1.002 11 N CA -0.237 52.568 53.050 -0.408 0.000 0.907 11 N CB 1.385 39.368 38.487 -0.840 0.000 1.161 11 N HN 0.546 nan 8.380 nan 0.000 0.488 12 H N 3.381 122.199 119.070 -0.419 0.000 2.421 12 H HA -0.021 4.535 4.556 -0.000 0.000 0.298 12 H C 1.060 176.014 175.328 -0.624 0.000 1.087 12 H CA 1.405 57.208 56.048 -0.408 0.000 1.330 12 H CB 0.293 29.862 29.762 -0.321 0.000 1.388 12 H HN 0.511 nan 8.280 nan 0.000 0.526 13 K N 0.297 119.802 120.400 -1.491 0.000 2.031 13 K HA -0.089 4.231 4.320 -0.000 0.000 0.205 13 K C 1.648 177.499 176.600 -1.248 0.000 1.049 13 K CA 1.326 56.448 56.287 -1.943 0.000 0.939 13 K CB 0.065 31.322 32.500 -2.072 0.000 0.717 13 K HN 0.255 nan 8.250 nan 0.000 0.438 14 D N 1.152 121.083 120.400 -0.782 0.000 2.117 14 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 14 D C 1.848 178.014 176.300 -0.224 0.000 0.987 14 D CA 0.998 54.781 54.000 -0.362 0.000 0.829 14 D CB -0.139 40.326 40.800 -0.559 0.000 0.961 14 D HN 0.143 nan 8.370 nan 0.000 0.460 15 I N 0.549 120.927 120.570 -0.320 0.000 2.315 15 I HA -0.132 4.038 4.170 -0.000 0.000 0.248 15 I C 2.481 178.524 176.117 -0.123 0.000 1.117 15 I CA 1.168 62.323 61.300 -0.242 0.000 1.404 15 I CB -0.369 37.558 38.000 -0.122 0.000 1.071 15 I HN 0.021 nan 8.210 nan 0.000 0.419 16 G N 0.109 108.787 108.800 -0.202 0.000 2.422 16 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.218 16 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.218 16 G C 1.662 176.611 174.900 0.080 0.000 1.146 16 G CA 1.397 46.469 45.100 -0.047 0.000 0.769 16 G HN 0.270 nan 8.290 nan 0.000 0.547 17 T N 1.267 115.835 114.554 0.023 0.000 2.746 17 T HA -0.015 4.335 4.350 -0.000 0.000 0.267 17 T C 2.424 177.111 174.700 -0.022 0.000 1.039 17 T CA 0.794 62.978 62.100 0.140 0.000 1.142 17 T CB -0.201 68.800 68.868 0.221 0.000 0.866 17 T HN 0.145 nan 8.240 nan 0.000 0.444 18 L N -0.476 120.612 121.223 -0.225 0.000 2.012 18 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 18 L C 2.405 179.035 176.870 -0.399 0.000 1.073 18 L CA 1.648 56.121 54.840 -0.611 0.000 0.748 18 L CB -0.600 40.590 42.059 -1.449 0.000 0.891 18 L HN 0.279 nan 8.230 nan 0.000 0.431 19 Y N -0.069 120.077 120.300 -0.257 0.000 2.181 19 Y HA -0.244 4.306 4.550 -0.000 0.000 0.288 19 Y C 2.414 178.430 175.900 0.192 0.000 1.146 19 Y CA 1.377 59.551 58.100 0.123 0.000 1.164 19 Y CB -0.370 38.159 38.460 0.114 0.000 0.982 19 Y HN 0.066 nan 8.280 nan 0.000 0.515 20 L N -1.044 120.329 121.223 0.249 0.000 2.093 20 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 20 L C 2.219 179.216 176.870 0.211 0.000 1.085 20 L CA 1.017 55.965 54.840 0.180 0.000 0.755 20 L CB -0.642 41.477 42.059 0.100 0.000 0.904 20 L HN 0.241 nan 8.230 nan 0.000 0.435 21 L N -1.420 119.913 121.223 0.184 0.000 2.056 21 L HA -0.231 4.109 4.340 -0.000 0.000 0.207 21 L C 2.560 179.590 176.870 0.267 0.000 1.078 21 L CA 1.278 56.222 54.840 0.173 0.000 0.749 21 L CB -0.537 41.561 42.059 0.065 0.000 0.901 21 L HN 0.165 nan 8.230 nan 0.000 0.433 22 F N 0.992 121.058 119.950 0.193 0.000 2.075 22 F HA -0.156 4.370 4.527 -0.000 0.000 0.297 22 F C 2.300 178.315 175.800 0.358 0.000 1.113 22 F CA 1.754 59.920 58.000 0.277 0.000 1.218 22 F CB -0.708 38.487 39.000 0.325 0.000 0.984 22 F HN -0.011 nan 8.300 nan 0.000 0.472 23 G N -0.407 108.685 108.800 0.486 0.000 2.442 23 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 23 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 23 G C 1.778 176.794 174.900 0.194 0.000 1.141 23 G CA 0.900 46.205 45.100 0.341 0.000 0.763 23 G HN 0.645 nan 8.290 nan 0.000 0.554 24 A N -0.219 122.707 122.820 0.177 0.000 1.898 24 A HA -0.029 4.291 4.320 -0.000 0.000 0.216 24 A C 2.151 179.808 177.584 0.121 0.000 1.181 24 A CA 1.552 53.651 52.037 0.103 0.000 0.620 24 A CB -0.695 18.358 19.000 0.090 0.000 0.819 24 A HN 0.531 nan 8.150 nan 0.000 0.442 25 W N 0.535 121.823 121.300 -0.020 0.000 2.355 25 W HA -0.093 4.567 4.660 -0.000 0.000 0.309 25 W C 2.552 179.054 176.519 -0.028 0.000 1.206 25 W CA 2.194 59.507 57.345 -0.052 0.000 1.284 25 W CB -0.249 29.146 29.460 -0.110 0.000 1.145 25 W HN 0.357 nan 8.180 nan 0.000 0.502 26 A N 0.501 123.436 122.820 0.192 0.000 1.908 26 A HA -0.129 4.191 4.320 -0.000 0.000 0.218 26 A C 2.222 179.839 177.584 0.055 0.000 1.181 26 A CA 2.162 54.322 52.037 0.204 0.000 0.627 26 A CB -1.737 17.372 19.000 0.182 0.000 0.818 26 A HN 0.423 nan 8.150 nan 0.000 0.445 27 G N -0.968 107.852 108.800 0.034 0.000 2.450 27 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.220 27 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.220 27 G C 1.471 176.342 174.900 -0.048 0.000 1.130 27 G CA 1.357 46.461 45.100 0.006 0.000 0.760 27 G HN 0.372 nan 8.290 nan 0.000 0.557 28 M N 0.365 119.880 119.600 -0.141 0.000 2.132 28 M HA 0.012 4.492 4.480 -0.000 0.000 0.263 28 M C 2.782 178.954 176.300 -0.215 0.000 1.065 28 M CA 0.703 55.881 55.300 -0.203 0.000 1.122 28 M CB -1.180 31.221 32.600 -0.331 0.000 1.365 28 M HN 0.117 nan 8.290 nan 0.000 0.411 29 V N 0.459 120.204 119.914 -0.283 0.000 2.295 29 V HA -0.187 3.933 4.120 -0.000 0.000 0.246 29 V C 2.657 178.751 176.094 0.000 0.000 1.049 29 V CA 2.131 64.329 62.300 -0.169 0.000 1.024 29 V CB -1.763 30.028 31.823 -0.052 0.000 0.648 29 V HN 0.568 nan 8.190 nan 0.000 0.447 30 G N -0.776 108.048 108.800 0.040 0.000 2.448 30 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.219 30 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.219 30 G C 1.661 176.653 174.900 0.153 0.000 1.127 30 G CA 1.452 46.610 45.100 0.096 0.000 0.766 30 G HN 0.488 nan 8.290 nan 0.000 0.552 31 T N 1.457 116.049 114.554 0.063 0.000 2.770 31 T HA 0.120 4.470 4.350 -0.000 0.000 0.263 31 T C 2.860 177.565 174.700 0.008 0.000 1.039 31 T CA 1.232 63.362 62.100 0.049 0.000 1.142 31 T CB -0.315 68.553 68.868 0.000 0.000 0.868 31 T HN 0.340 nan 8.240 nan 0.000 0.435 32 A N 1.444 124.249 122.820 -0.025 0.000 1.908 32 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 32 A C 2.300 179.880 177.584 -0.007 0.000 1.181 32 A CA 1.293 53.304 52.037 -0.044 0.000 0.627 32 A CB -0.958 18.005 19.000 -0.061 0.000 0.818 32 A HN 0.463 nan 8.150 nan 0.000 0.445 33 L N 0.303 121.553 121.223 0.044 0.000 2.046 33 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 33 L C 3.054 179.923 176.870 -0.002 0.000 1.077 33 L CA 1.721 56.600 54.840 0.065 0.000 0.747 33 L CB -0.490 41.664 42.059 0.158 0.000 0.896 33 L HN 0.642 nan 8.230 nan 0.000 0.432 34 S N -0.286 115.419 115.700 0.008 0.000 2.402 34 S HA -0.130 4.340 4.470 -0.000 0.000 0.229 34 S C 1.918 176.465 174.600 -0.089 0.000 1.021 34 S CA 0.788 58.891 58.200 -0.163 0.000 0.974 34 S CB -0.467 62.707 63.200 -0.043 0.000 0.800 34 S HN 0.347 nan 8.310 nan 0.000 0.484 35 L N 0.481 121.666 121.223 -0.064 0.000 2.156 35 L HA 0.160 4.500 4.340 -0.000 0.000 0.208 35 L C 2.520 179.388 176.870 -0.003 0.000 1.095 35 L CA 0.699 55.489 54.840 -0.084 0.000 0.770 35 L CB -0.378 41.556 42.059 -0.207 0.000 0.914 35 L HN 0.311 nan 8.230 nan 0.000 0.439 36 L N -0.663 120.563 121.223 0.004 0.000 2.083 36 L HA -0.238 4.102 4.340 -0.000 0.000 0.209 36 L C 2.396 179.325 176.870 0.099 0.000 1.083 36 L CA 1.294 56.166 54.840 0.052 0.000 0.752 36 L CB -0.337 41.745 42.059 0.038 0.000 0.899 36 L HN 0.236 nan 8.230 nan 0.000 0.433 37 I N -0.679 119.923 120.570 0.052 0.000 2.142 37 I HA -0.270 3.900 4.170 -0.000 0.000 0.240 37 I C 2.637 178.876 176.117 0.204 0.000 1.078 37 I CA 1.182 62.560 61.300 0.130 0.000 1.343 37 I CB -0.379 37.607 38.000 -0.023 0.000 1.046 37 I HN 0.242 nan 8.210 nan 0.000 0.405 38 R N 0.853 121.424 120.500 0.118 0.000 2.189 38 R HA -0.036 4.304 4.340 -0.000 0.000 0.223 38 R C 2.207 178.615 176.300 0.181 0.000 1.092 38 R CA 1.207 57.387 56.100 0.133 0.000 0.989 38 R CB -0.489 29.864 30.300 0.090 0.000 0.876 38 R HN 0.386 nan 8.270 nan 0.000 0.457 39 A N 1.172 124.113 122.820 0.201 0.000 1.897 39 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 39 A C 2.106 179.779 177.584 0.149 0.000 1.181 39 A CA 1.404 53.564 52.037 0.204 0.000 0.620 39 A CB -0.245 18.875 19.000 0.200 0.000 0.821 39 A HN 0.209 nan 8.150 nan 0.000 0.443 40 E N 0.384 120.685 120.200 0.168 0.000 2.110 40 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 40 E C 1.538 178.202 176.600 0.106 0.000 0.988 40 E CA 1.257 57.741 56.400 0.140 0.000 0.804 40 E CB -0.336 29.505 29.700 0.236 0.000 0.745 40 E HN 0.571 nan 8.360 nan 0.000 0.458 41 L N -0.710 120.611 121.223 0.165 0.000 2.592 41 L HA 0.274 4.614 4.340 -0.000 0.000 0.227 41 L C 2.069 179.064 176.870 0.208 0.000 1.127 41 L CA 0.337 55.312 54.840 0.225 0.000 0.884 41 L CB -0.056 42.124 42.059 0.202 0.000 1.065 41 L HN 0.230 nan 8.230 nan 0.000 0.457 42 G N 0.595 109.473 108.800 0.129 0.000 2.448 42 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.219 42 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.219 42 G C 0.608 175.553 174.900 0.076 0.000 1.127 42 G CA 0.324 45.470 45.100 0.077 0.000 0.766 42 G HN 0.522 nan 8.290 nan 0.000 0.552 43 Q N -0.530 119.319 119.800 0.082 0.000 2.377 43 Q HA 0.539 4.879 4.340 -0.000 0.000 0.279 43 Q C -3.268 172.730 176.000 -0.002 0.000 1.049 43 Q CA -2.141 53.695 55.803 0.055 0.000 0.825 43 Q CB 2.218 30.958 28.738 0.004 0.000 1.401 43 Q HN -0.116 nan 8.270 nan 0.000 0.404 44 P HA 0.357 nan 4.420 nan 0.000 0.267 44 P C -0.057 177.125 177.300 -0.196 0.000 1.200 44 P CA 1.406 64.346 63.100 -0.266 0.000 0.772 44 P CB 0.560 32.165 31.700 -0.158 0.000 0.855 45 G N 0.748 109.401 108.800 -0.244 0.000 2.462 45 G HA2 0.005 3.965 3.960 -0.000 0.000 0.685 45 G HA3 0.005 3.965 3.960 -0.000 0.000 0.685 45 G C -1.133 173.680 174.900 -0.144 0.000 1.295 45 G CA -0.867 44.140 45.100 -0.155 0.000 0.941 45 G HN 0.531 nan 8.290 nan 0.000 0.554 46 T N 0.765 115.261 114.554 -0.097 0.000 2.771 46 T HA 0.511 4.861 4.350 -0.000 0.000 0.281 46 T C 1.145 175.824 174.700 -0.035 0.000 0.982 46 T CA 0.319 62.375 62.100 -0.074 0.000 0.978 46 T CB 1.581 70.412 68.868 -0.061 0.000 0.930 46 T HN 0.949 nan 8.240 nan 0.000 0.447 47 L N 4.320 125.536 121.223 -0.011 0.000 2.347 47 L HA 0.433 4.773 4.340 -0.000 0.000 0.196 47 L C 1.718 178.609 176.870 0.035 0.000 1.072 47 L CA 1.104 55.954 54.840 0.017 0.000 0.817 47 L CB -0.297 41.784 42.059 0.037 0.000 1.029 47 L HN 0.615 nan 8.230 nan 0.000 0.478 48 L N -0.871 120.386 121.223 0.058 0.000 2.102 48 L HA 0.386 4.726 4.340 -0.000 0.000 0.202 48 L C 1.236 178.140 176.870 0.057 0.000 1.076 48 L CA 0.636 55.519 54.840 0.072 0.000 0.761 48 L CB -0.622 41.507 42.059 0.116 0.000 0.921 48 L HN 0.488 nan 8.230 nan 0.000 0.444 49 G N -0.781 108.050 108.800 0.052 0.000 2.399 49 G HA2 0.091 4.051 3.960 -0.000 0.000 0.256 49 G HA3 0.091 4.051 3.960 -0.000 0.000 0.256 49 G C -1.826 173.091 174.900 0.029 0.000 1.236 49 G CA -0.071 45.051 45.100 0.037 0.000 0.914 49 G HN 0.173 nan 8.290 nan 0.000 0.482 50 D N -0.348 120.068 120.400 0.028 0.000 2.376 50 D HA 0.294 4.934 4.640 -0.000 0.000 0.268 50 D C 0.604 176.939 176.300 0.057 0.000 1.252 50 D CA 0.028 54.036 54.000 0.013 0.000 1.041 50 D CB 0.252 41.056 40.800 0.007 0.000 1.109 50 D HN 0.168 nan 8.370 nan 0.000 0.552 51 D N -1.539 118.890 120.400 0.048 0.000 2.263 51 D HA -0.131 4.509 4.640 -0.000 0.000 0.208 51 D C 1.696 178.107 176.300 0.185 0.000 0.971 51 D CA 0.844 54.921 54.000 0.128 0.000 0.867 51 D CB -0.111 40.739 40.800 0.083 0.000 0.929 51 D HN 0.421 nan 8.370 nan 0.000 0.492 52 Q N 0.956 120.833 119.800 0.128 0.000 1.990 52 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 52 Q C 2.145 178.233 176.000 0.145 0.000 0.980 52 Q CA 1.016 56.898 55.803 0.131 0.000 0.832 52 Q CB -0.513 28.274 28.738 0.082 0.000 0.897 52 Q HN 0.377 nan 8.270 nan 0.000 0.427 53 I N -0.309 120.340 120.570 0.133 0.000 2.286 53 I HA -0.271 3.899 4.170 -0.000 0.000 0.248 53 I C 2.022 178.228 176.117 0.147 0.000 1.115 53 I CA 1.409 62.785 61.300 0.127 0.000 1.392 53 I CB -0.197 37.869 38.000 0.110 0.000 1.065 53 I HN 0.457 nan 8.210 nan 0.000 0.418 54 Y N 1.980 122.325 120.300 0.075 0.000 2.128 54 Y HA -0.311 4.239 4.550 -0.000 0.000 0.284 54 Y C 2.249 178.207 175.900 0.097 0.000 1.154 54 Y CA 2.128 60.278 58.100 0.083 0.000 1.149 54 Y CB -0.339 38.170 38.460 0.081 0.000 0.976 54 Y HN 0.239 nan 8.280 nan 0.000 0.505 55 N N -0.204 118.548 118.700 0.086 0.000 2.512 55 N HA -0.104 4.636 4.740 -0.000 0.000 0.183 55 N C 1.747 177.261 175.510 0.007 0.000 1.073 55 N CA 1.032 54.089 53.050 0.012 0.000 0.911 55 N CB 0.026 38.597 38.487 0.140 0.000 0.964 55 N HN 0.307 nan 8.380 nan 0.000 0.447 56 V N 0.224 120.167 119.914 0.047 0.000 2.453 56 V HA -0.113 4.007 4.120 -0.000 0.000 0.247 56 V C 2.339 178.458 176.094 0.043 0.000 1.048 56 V CA 0.906 63.250 62.300 0.073 0.000 1.049 56 V CB -0.196 31.689 31.823 0.104 0.000 0.672 56 V HN 0.018 nan 8.190 nan 0.000 0.457 57 V N -0.326 119.579 119.914 -0.015 0.000 2.261 57 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 57 V C 2.446 178.505 176.094 -0.058 0.000 1.047 57 V CA 1.986 64.265 62.300 -0.034 0.000 1.015 57 V CB -0.371 31.401 31.823 -0.086 0.000 0.642 57 V HN 0.382 nan 8.190 nan 0.000 0.446 58 V N -0.027 119.770 119.914 -0.196 0.000 2.324 58 V HA -0.311 3.809 4.120 -0.000 0.000 0.250 58 V C 2.567 178.656 176.094 -0.009 0.000 1.060 58 V CA 2.737 64.957 62.300 -0.134 0.000 1.042 58 V CB -1.005 30.680 31.823 -0.229 0.000 0.650 58 V HN 0.642 nan 8.190 nan 0.000 0.450 59 T N 0.137 114.671 114.554 -0.033 0.000 2.737 59 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 59 T C 2.039 176.703 174.700 -0.059 0.000 1.038 59 T CA 1.586 63.635 62.100 -0.084 0.000 1.144 59 T CB -0.403 68.448 68.868 -0.028 0.000 0.866 59 T HN 0.579 nan 8.240 nan 0.000 0.434 60 A N 1.184 124.068 122.820 0.106 0.000 1.898 60 A HA -0.127 4.193 4.320 -0.000 0.000 0.216 60 A C 1.973 179.651 177.584 0.156 0.000 1.181 60 A CA 2.188 54.353 52.037 0.214 0.000 0.620 60 A CB -1.002 18.133 19.000 0.225 0.000 0.819 60 A HN 0.707 nan 8.150 nan 0.000 0.442 61 H N 0.379 119.462 119.070 0.020 0.000 2.321 61 H HA -0.117 4.439 4.556 -0.000 0.000 0.295 61 H C 2.059 177.351 175.328 -0.060 0.000 1.102 61 H CA 2.516 58.564 56.048 -0.000 0.000 1.266 61 H CB -0.340 29.418 29.762 -0.007 0.000 1.363 61 H HN 0.374 nan 8.280 nan 0.000 0.492 62 A N -0.028 122.634 122.820 -0.263 0.000 1.873 62 A HA -0.078 4.242 4.320 -0.000 0.000 0.215 62 A C 2.223 179.589 177.584 -0.363 0.000 1.186 62 A CA 1.418 53.143 52.037 -0.520 0.000 0.616 62 A CB -1.031 17.592 19.000 -0.627 0.000 0.823 62 A HN 0.451 nan 8.150 nan 0.000 0.442 63 F N 0.078 119.971 119.950 -0.094 0.000 2.134 63 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 63 F C 2.548 178.216 175.800 -0.221 0.000 1.097 63 F CA 1.093 59.094 58.000 0.002 0.000 1.264 63 F CB -0.997 38.006 39.000 0.004 0.000 1.001 63 F HN 0.021 nan 8.300 nan 0.000 0.479 64 V N -0.390 119.530 119.914 0.010 0.000 2.261 64 V HA -0.319 3.801 4.120 -0.000 0.000 0.246 64 V C 2.528 178.565 176.094 -0.095 0.000 1.047 64 V CA 1.544 63.822 62.300 -0.037 0.000 1.015 64 V CB -0.548 31.337 31.823 0.102 0.000 0.642 64 V HN 0.209 nan 8.190 nan 0.000 0.446 65 M N -0.959 118.518 119.600 -0.204 0.000 2.117 65 M HA -0.111 4.369 4.480 -0.000 0.000 0.262 65 M C 2.111 178.252 176.300 -0.265 0.000 1.065 65 M CA 1.934 57.089 55.300 -0.242 0.000 1.114 65 M CB -0.942 31.409 32.600 -0.417 0.000 1.361 65 M HN 0.289 nan 8.290 nan 0.000 0.408 66 I N -1.321 119.014 120.570 -0.392 0.000 2.206 66 I HA -0.231 3.939 4.170 -0.000 0.000 0.239 66 I C 1.949 177.755 176.117 -0.518 0.000 1.078 66 I CA 1.149 62.115 61.300 -0.557 0.000 1.367 66 I CB -0.338 37.124 38.000 -0.897 0.000 1.078 66 I HN 0.050 nan 8.210 nan 0.000 0.413 67 F N -0.516 119.259 119.950 -0.291 0.000 2.512 67 F HA -0.001 4.526 4.527 -0.000 0.000 0.296 67 F C 1.706 177.400 175.800 -0.177 0.000 1.110 67 F CA 0.765 58.566 58.000 -0.331 0.000 1.446 67 F CB -0.121 38.506 39.000 -0.621 0.000 1.092 67 F HN -0.034 nan 8.300 nan 0.000 0.554 68 F N -2.311 117.752 119.950 0.188 0.000 2.694 68 F HA 0.194 4.721 4.527 -0.000 0.000 0.292 68 F C 1.935 177.863 175.800 0.214 0.000 1.121 68 F CA 0.017 58.153 58.000 0.227 0.000 1.352 68 F CB -0.379 38.528 39.000 -0.155 0.000 1.107 68 F HN -0.095 nan 8.300 nan 0.000 0.597 69 M N -0.439 119.302 119.600 0.234 0.000 2.749 69 M HA 0.098 4.578 4.480 -0.000 0.000 0.240 69 M C 2.056 178.443 176.300 0.145 0.000 1.285 69 M CA 1.169 56.574 55.300 0.174 0.000 1.267 69 M CB -0.558 32.088 32.600 0.077 0.000 1.184 69 M HN -0.090 nan 8.290 nan 0.000 0.526 70 V N 1.811 121.751 119.914 0.043 0.000 2.233 70 V HA -0.334 3.786 4.120 -0.000 0.000 0.247 70 V C 2.590 178.723 176.094 0.065 0.000 1.050 70 V CA 2.296 64.612 62.300 0.027 0.000 1.010 70 V CB -0.776 30.998 31.823 -0.081 0.000 0.637 70 V HN 0.512 nan 8.190 nan 0.000 0.444 71 M N -0.723 118.901 119.600 0.039 0.000 2.117 71 M HA -0.098 4.382 4.480 -0.000 0.000 0.262 71 M C -0.090 176.293 176.300 0.139 0.000 1.065 71 M CA 2.192 57.532 55.300 0.066 0.000 1.114 71 M CB -1.473 31.158 32.600 0.052 0.000 1.361 71 M HN 0.286 nan 8.290 nan 0.000 0.408 72 P HA -0.101 nan 4.420 nan 0.000 0.216 72 P C 1.416 178.863 177.300 0.244 0.000 1.153 72 P CA 1.284 64.602 63.100 0.363 0.000 0.848 72 P CB -0.069 32.029 31.700 0.664 0.000 0.787 73 I N -1.957 118.764 120.570 0.250 0.000 2.163 73 I HA -0.230 3.940 4.170 -0.000 0.000 0.240 73 I C 2.422 178.689 176.117 0.251 0.000 1.081 73 I CA 1.660 63.086 61.300 0.210 0.000 1.353 73 I CB -0.472 37.667 38.000 0.231 0.000 1.054 73 I HN -0.075 nan 8.210 nan 0.000 0.407 74 M N 0.005 119.773 119.600 0.280 0.000 2.099 74 M HA -0.150 4.330 4.480 -0.000 0.000 0.262 74 M C 2.260 178.703 176.300 0.238 0.000 1.067 74 M CA 1.993 57.496 55.300 0.338 0.000 1.124 74 M CB -0.137 32.582 32.600 0.198 0.000 1.353 74 M HN 0.183 nan 8.290 nan 0.000 0.410 75 I N -1.303 119.312 120.570 0.074 0.000 2.512 75 I HA -0.001 4.169 4.170 -0.000 0.000 0.247 75 I C 2.567 178.652 176.117 -0.054 0.000 1.094 75 I CA 1.004 62.271 61.300 -0.055 0.000 1.427 75 I CB -0.860 37.089 38.000 -0.085 0.000 1.149 75 I HN 0.279 nan 8.210 nan 0.000 0.438 76 G N 0.593 109.204 108.800 -0.315 0.000 2.394 76 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.215 76 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.215 76 G C 1.551 176.183 174.900 -0.447 0.000 1.165 76 G CA 0.833 45.307 45.100 -1.043 0.000 0.784 76 G HN 0.470 nan 8.290 nan 0.000 0.535 77 G N 0.492 109.221 108.800 -0.118 0.000 2.654 77 G HA2 0.034 3.994 3.960 -0.000 0.000 0.215 77 G HA3 0.034 3.994 3.960 -0.000 0.000 0.215 77 G C 1.502 176.402 174.900 0.000 0.000 1.310 77 G CA 0.471 45.560 45.100 -0.017 0.000 0.866 77 G HN 0.282 nan 8.290 nan 0.000 0.558 78 F N 1.832 121.859 119.950 0.129 0.000 2.161 78 F HA -0.021 4.506 4.527 -0.000 0.000 0.300 78 F C 2.927 178.845 175.800 0.196 0.000 1.089 78 F CA 0.893 58.933 58.000 0.067 0.000 1.282 78 F CB -0.297 38.666 39.000 -0.061 0.000 1.010 78 F HN 0.249 nan 8.300 nan 0.000 0.485 79 G N 0.040 109.096 108.800 0.427 0.000 2.453 79 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.215 79 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.215 79 G C 1.627 176.850 174.900 0.538 0.000 1.201 79 G CA 0.973 46.315 45.100 0.402 0.000 0.784 79 G HN 0.226 nan 8.290 nan 0.000 0.545 80 N N -0.131 118.825 118.700 0.426 0.000 2.120 80 N HA -0.101 4.639 4.740 -0.000 0.000 0.188 80 N C 1.919 177.557 175.510 0.214 0.000 1.024 80 N CA 0.930 54.106 53.050 0.209 0.000 0.852 80 N CB -0.284 38.233 38.487 0.050 0.000 1.003 80 N HN 0.574 nan 8.380 nan 0.000 0.424 81 W N 1.412 122.719 121.300 0.011 0.000 2.378 81 W HA 0.005 4.665 4.660 -0.000 0.000 0.313 81 W C 2.162 178.709 176.519 0.047 0.000 1.197 81 W CA 0.655 57.935 57.345 -0.109 0.000 1.304 81 W CB -0.276 28.874 29.460 -0.516 0.000 1.148 81 W HN -0.003 nan 8.180 nan 0.000 0.494 82 L N -1.405 120.025 121.223 0.346 0.000 2.202 82 L HA -0.104 4.236 4.340 -0.000 0.000 0.205 82 L C 2.073 179.075 176.870 0.221 0.000 1.083 82 L CA 0.233 55.189 54.840 0.193 0.000 0.790 82 L CB -1.312 40.676 42.059 -0.118 0.000 0.942 82 L HN -0.188 nan 8.230 nan 0.000 0.452 83 V N 0.831 120.905 119.914 0.267 0.000 2.255 83 V HA -0.185 3.935 4.120 -0.000 0.000 0.247 83 V C -0.064 176.047 176.094 0.028 0.000 1.051 83 V CA 2.271 64.673 62.300 0.169 0.000 1.018 83 V CB -1.474 30.476 31.823 0.210 0.000 0.641 83 V HN 0.317 nan 8.190 nan 0.000 0.445 84 P HA -0.134 nan 4.420 nan 0.000 0.215 84 P C 1.948 179.167 177.300 -0.135 0.000 1.157 84 P CA 1.433 64.372 63.100 -0.269 0.000 0.868 84 P CB -0.087 31.133 31.700 -0.801 0.000 0.788 85 L N -1.966 119.301 121.223 0.073 0.000 2.079 85 L HA -0.172 4.168 4.340 -0.000 0.000 0.210 85 L C 2.467 179.406 176.870 0.114 0.000 1.081 85 L CA 1.598 56.578 54.840 0.234 0.000 0.752 85 L CB -0.834 41.429 42.059 0.340 0.000 0.896 85 L HN 0.014 nan 8.230 nan 0.000 0.433 86 M N -0.309 119.351 119.600 0.100 0.000 2.476 86 M HA -0.074 4.406 4.480 -0.000 0.000 0.262 86 M C 1.728 178.040 176.300 0.019 0.000 1.079 86 M CA 1.333 56.706 55.300 0.122 0.000 1.104 86 M CB 0.023 32.746 32.600 0.204 0.000 1.409 86 M HN 0.347 nan 8.290 nan 0.000 0.467 87 I N -4.363 116.146 120.570 -0.101 0.000 4.025 87 I HA 0.477 4.647 4.170 -0.000 0.000 0.336 87 I C 0.920 176.830 176.117 -0.345 0.000 1.390 87 I CA -0.057 61.144 61.300 -0.165 0.000 1.099 87 I CB -0.114 37.796 38.000 -0.151 0.000 1.049 87 I HN 0.267 nan 8.210 nan 0.000 0.394 88 G N 1.904 110.323 108.800 -0.635 0.000 2.221 88 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.265 88 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.265 88 G C 0.299 174.557 174.900 -1.070 0.000 1.041 88 G CA 0.155 44.375 45.100 -1.466 0.000 0.807 88 G HN 0.938 nan 8.290 nan 0.000 0.502 89 A N 0.247 122.712 122.820 -0.592 0.000 2.316 89 A HA 0.825 5.145 4.320 -0.000 0.000 0.284 89 A C -0.048 177.474 177.584 -0.103 0.000 1.115 89 A CA -0.830 51.032 52.037 -0.292 0.000 0.812 89 A CB 1.042 19.885 19.000 -0.262 0.000 1.064 89 A HN 0.122 nan 8.150 nan 0.000 0.489 90 P HA -0.032 nan 4.420 nan 0.000 0.221 90 P C 0.116 177.438 177.300 0.037 0.000 1.150 90 P CA 1.187 64.347 63.100 0.099 0.000 0.800 90 P CB 0.378 32.117 31.700 0.065 0.000 0.787 91 D N -2.887 117.439 120.400 -0.123 0.000 3.024 91 D HA 0.124 4.764 4.640 -0.000 0.000 0.354 91 D C -0.708 175.417 176.300 -0.292 0.000 1.431 91 D CA -0.476 53.395 54.000 -0.216 0.000 0.842 91 D CB 0.352 41.127 40.800 -0.043 0.000 1.437 91 D HN -0.315 nan 8.370 nan 0.000 0.507 92 M N 1.052 120.493 119.600 -0.266 0.000 2.283 92 M HA 0.394 4.874 4.480 -0.000 0.000 0.314 92 M C 1.272 177.394 176.300 -0.297 0.000 1.153 92 M CA -0.129 54.992 55.300 -0.298 0.000 1.084 92 M CB 0.748 33.167 32.600 -0.302 0.000 1.468 92 M HN 0.603 nan 8.290 nan 0.000 0.474 93 A N 1.490 124.041 122.820 -0.448 0.000 1.883 93 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 93 A C 0.500 177.716 177.584 -0.612 0.000 1.186 93 A CA 1.716 53.340 52.037 -0.689 0.000 0.624 93 A CB -0.306 17.980 19.000 -1.190 0.000 0.822 93 A HN 0.605 nan 8.150 nan 0.000 0.444 94 F N -0.475 119.423 119.950 -0.087 0.000 2.449 94 F HA 0.340 4.867 4.527 -0.000 0.000 0.344 94 F C -1.798 173.962 175.800 -0.067 0.000 1.180 94 F CA -2.915 55.046 58.000 -0.064 0.000 1.209 94 F CB 0.941 39.908 39.000 -0.055 0.000 1.440 94 F HN 0.088 nan 8.300 nan 0.000 0.526 95 P HA -0.166 nan 4.420 nan 0.000 0.222 95 P C 1.618 178.945 177.300 0.045 0.000 1.147 95 P CA 1.221 64.330 63.100 0.016 0.000 0.790 95 P CB 0.494 32.190 31.700 -0.006 0.000 0.780 96 R N -0.706 119.836 120.500 0.070 0.000 2.090 96 R HA 0.149 4.489 4.340 -0.000 0.000 0.219 96 R C 2.567 178.909 176.300 0.071 0.000 1.100 96 R CA 0.631 56.767 56.100 0.060 0.000 0.991 96 R CB -0.604 29.718 30.300 0.037 0.000 0.893 96 R HN 0.020 nan 8.270 nan 0.000 0.443 97 M N 0.851 120.498 119.600 0.079 0.000 2.213 97 M HA -0.168 4.312 4.480 -0.000 0.000 0.263 97 M C 1.601 177.955 176.300 0.090 0.000 1.062 97 M CA 1.611 56.952 55.300 0.068 0.000 1.105 97 M CB -0.107 32.527 32.600 0.058 0.000 1.385 97 M HN 0.104 nan 8.290 nan 0.000 0.417 98 N N 0.824 119.575 118.700 0.086 0.000 2.120 98 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 98 N C 1.336 176.921 175.510 0.125 0.000 1.024 98 N CA 1.732 54.825 53.050 0.071 0.000 0.852 98 N CB -0.377 38.108 38.487 -0.003 0.000 1.003 98 N HN 0.374 nan 8.380 nan 0.000 0.424 99 N N -0.120 118.654 118.700 0.124 0.000 2.244 99 N HA -0.068 4.672 4.740 -0.000 0.000 0.183 99 N C 1.687 177.348 175.510 0.252 0.000 1.016 99 N CA 0.811 53.975 53.050 0.191 0.000 0.866 99 N CB -0.190 38.430 38.487 0.221 0.000 0.980 99 N HN 0.358 nan 8.380 nan 0.000 0.430 100 M N -0.594 119.115 119.600 0.181 0.000 2.254 100 M HA -0.056 4.424 4.480 -0.000 0.000 0.265 100 M C 1.684 178.046 176.300 0.104 0.000 1.066 100 M CA 0.983 56.379 55.300 0.159 0.000 1.123 100 M CB 0.009 32.664 32.600 0.092 0.000 1.388 100 M HN 0.033 nan 8.290 nan 0.000 0.425 101 S N 0.450 116.219 115.700 0.115 0.000 2.374 101 S HA -0.187 4.283 4.470 -0.000 0.000 0.227 101 S C 1.472 176.091 174.600 0.032 0.000 1.037 101 S CA 1.643 59.923 58.200 0.134 0.000 1.024 101 S CB -0.561 62.791 63.200 0.253 0.000 0.861 101 S HN 0.633 nan 8.310 nan 0.000 0.456 102 F N 0.594 120.425 119.950 -0.197 0.000 2.128 102 F HA 0.010 4.537 4.527 -0.000 0.000 0.295 102 F C 1.623 177.042 175.800 -0.635 0.000 1.100 102 F CA 0.901 58.455 58.000 -0.744 0.000 1.260 102 F CB -0.586 37.771 39.000 -1.071 0.000 1.009 102 F HN 0.208 nan 8.300 nan 0.000 0.476 103 W N 0.491 121.517 121.300 -0.457 0.000 2.611 103 W HA -0.012 4.648 4.660 -0.000 0.000 0.251 103 W C 1.903 178.199 176.519 -0.373 0.000 1.265 103 W CA 0.302 57.386 57.345 -0.435 0.000 1.295 103 W CB -0.344 29.055 29.460 -0.101 0.000 1.129 103 W HN 0.047 nan 8.180 nan 0.000 0.630 104 L N -0.330 120.797 121.223 -0.160 0.000 2.313 104 L HA -0.121 4.219 4.340 -0.000 0.000 0.214 104 L C 2.100 178.864 176.870 -0.177 0.000 1.119 104 L CA 0.606 55.388 54.840 -0.096 0.000 0.809 104 L CB -0.398 41.641 42.059 -0.034 0.000 0.933 104 L HN 0.075 nan 8.230 nan 0.000 0.449 105 L N -0.246 120.706 121.223 -0.451 0.000 2.044 105 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 105 L C -0.204 176.460 176.870 -0.342 0.000 1.075 105 L CA 1.224 55.747 54.840 -0.528 0.000 0.747 105 L CB -1.690 39.698 42.059 -1.119 0.000 0.903 105 L HN 0.192 nan 8.230 nan 0.000 0.435 106 P HA -0.088 nan 4.420 nan 0.000 0.216 106 P C -1.364 175.972 177.300 0.061 0.000 1.153 106 P CA 1.420 64.546 63.100 0.043 0.000 0.848 106 P CB -0.841 30.894 31.700 0.059 0.000 0.787 107 P HA -0.155 nan 4.420 nan 0.000 0.215 107 P C 1.925 179.274 177.300 0.081 0.000 1.157 107 P CA 1.763 64.891 63.100 0.046 0.000 0.863 107 P CB -0.486 31.230 31.700 0.026 0.000 0.787 108 S N -1.636 114.111 115.700 0.078 0.000 2.370 108 S HA -0.206 4.264 4.470 -0.000 0.000 0.226 108 S C 1.864 176.591 174.600 0.212 0.000 1.033 108 S CA 1.152 59.445 58.200 0.154 0.000 1.011 108 S CB -1.200 62.124 63.200 0.207 0.000 0.852 108 S HN 0.058 nan 8.310 nan 0.000 0.457 109 F N 0.693 120.540 119.950 -0.172 0.000 2.186 109 F HA -0.038 4.489 4.527 -0.000 0.000 0.299 109 F C 2.040 177.831 175.800 -0.016 0.000 1.090 109 F CA 0.840 58.638 58.000 -0.337 0.000 1.307 109 F CB -0.112 38.587 39.000 -0.501 0.000 1.019 109 F HN 0.306 nan 8.300 nan 0.000 0.489 110 L N 0.779 122.140 121.223 0.231 0.000 2.046 110 L HA -0.216 4.124 4.340 -0.000 0.000 0.208 110 L C 1.931 178.902 176.870 0.169 0.000 1.077 110 L CA 1.738 56.663 54.840 0.140 0.000 0.747 110 L CB -0.813 41.289 42.059 0.071 0.000 0.896 110 L HN 0.157 nan 8.230 nan 0.000 0.432 111 L N -1.255 120.073 121.223 0.175 0.000 2.083 111 L HA -0.213 4.127 4.340 -0.000 0.000 0.209 111 L C 2.512 179.496 176.870 0.190 0.000 1.083 111 L CA 1.356 56.295 54.840 0.166 0.000 0.752 111 L CB -0.579 41.578 42.059 0.163 0.000 0.899 111 L HN 0.385 nan 8.230 nan 0.000 0.433 112 L N -0.326 121.053 121.223 0.261 0.000 2.056 112 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 112 L C 2.420 179.466 176.870 0.293 0.000 1.078 112 L CA 1.356 56.367 54.840 0.286 0.000 0.749 112 L CB -0.086 42.225 42.059 0.419 0.000 0.901 112 L HN 0.129 nan 8.230 nan 0.000 0.433 113 L N -0.281 121.135 121.223 0.323 0.000 2.083 113 L HA -0.164 4.176 4.340 -0.000 0.000 0.209 113 L C 2.816 179.786 176.870 0.166 0.000 1.083 113 L CA 0.963 55.945 54.840 0.238 0.000 0.752 113 L CB -0.951 41.216 42.059 0.181 0.000 0.899 113 L HN 0.389 nan 8.230 nan 0.000 0.433 114 A N 0.013 122.923 122.820 0.150 0.000 1.858 114 A HA -0.269 4.051 4.320 -0.000 0.000 0.216 114 A C 2.561 180.218 177.584 0.122 0.000 1.190 114 A CA 2.093 54.201 52.037 0.119 0.000 0.617 114 A CB -0.941 18.126 19.000 0.113 0.000 0.827 114 A HN 0.435 nan 8.150 nan 0.000 0.443 115 S N 0.520 116.300 115.700 0.134 0.000 2.407 115 S HA -0.211 4.259 4.470 -0.000 0.000 0.235 115 S C 2.024 176.701 174.600 0.128 0.000 1.036 115 S CA 2.448 60.723 58.200 0.125 0.000 1.013 115 S CB -0.658 62.614 63.200 0.120 0.000 0.820 115 S HN 1.009 nan 8.310 nan 0.000 0.476 116 S N -0.332 115.452 115.700 0.140 0.000 2.528 116 S HA 0.242 4.712 4.470 -0.000 0.000 0.219 116 S C 1.793 176.460 174.600 0.112 0.000 0.985 116 S CA 0.150 58.431 58.200 0.133 0.000 0.914 116 S CB -0.156 63.134 63.200 0.150 0.000 0.776 116 S HN 0.411 nan 8.310 nan 0.000 0.526 117 M N 2.114 121.777 119.600 0.105 0.000 2.299 117 M HA 0.235 4.715 4.480 -0.000 0.000 0.264 117 M C 1.131 177.477 176.300 0.077 0.000 1.095 117 M CA 0.592 55.943 55.300 0.086 0.000 1.165 117 M CB -0.759 31.890 32.600 0.081 0.000 1.349 117 M HN 0.402 nan 8.290 nan 0.000 0.446 118 V N -0.338 119.625 119.914 0.082 0.000 2.834 118 V HA 0.273 4.393 4.120 -0.000 0.000 0.301 118 V C 0.822 176.962 176.094 0.077 0.000 1.066 118 V CA -0.924 61.420 62.300 0.074 0.000 1.052 118 V CB 0.762 32.631 31.823 0.076 0.000 1.021 118 V HN 0.581 nan 8.190 nan 0.000 0.480 119 E N 2.444 122.683 120.200 0.065 0.000 3.333 119 E HA -0.335 4.015 4.350 -0.000 0.000 0.342 119 E C 0.918 177.556 176.600 0.063 0.000 1.501 119 E CA 2.049 58.485 56.400 0.061 0.000 1.770 119 E CB -1.649 28.092 29.700 0.070 0.000 1.817 119 E HN 1.537 nan 8.360 nan 0.000 0.485 120 A N 1.368 124.229 122.820 0.069 0.000 2.465 120 A HA 0.516 4.836 4.320 -0.000 0.000 0.255 120 A C 0.903 178.554 177.584 0.111 0.000 1.274 120 A CA 1.524 53.603 52.037 0.071 0.000 0.920 120 A CB -0.064 18.959 19.000 0.038 0.000 1.033 120 A HN 1.433 nan 8.150 nan 0.000 0.516 121 G N -1.140 107.736 108.800 0.127 0.000 2.828 121 G HA2 0.306 4.266 3.960 -0.000 0.000 0.463 121 G HA3 0.306 4.266 3.960 -0.000 0.000 0.463 121 G C 0.066 175.089 174.900 0.205 0.000 1.394 121 G CA -0.323 44.866 45.100 0.148 0.000 0.862 121 G HN 1.728 nan 8.290 nan 0.000 0.540 122 A N 0.334 123.248 122.820 0.157 0.000 2.582 122 A HA 0.730 5.050 4.320 -0.000 0.000 0.336 122 A C 0.891 178.502 177.584 0.046 0.000 1.445 122 A CA 0.810 52.886 52.037 0.065 0.000 0.997 122 A CB 0.299 19.306 19.000 0.012 0.000 1.148 122 A HN 2.301 nan 8.150 nan 0.000 0.514 123 G N 1.585 110.478 108.800 0.154 0.000 3.714 123 G HA2 0.362 4.322 3.960 -0.000 0.000 0.276 123 G HA3 0.362 4.322 3.960 -0.000 0.000 0.276 123 G C 0.708 175.623 174.900 0.025 0.000 1.058 123 G CA 0.519 45.697 45.100 0.130 0.000 1.700 123 G HN 0.762 nan 8.290 nan 0.000 0.605 124 T N -2.508 111.977 114.554 -0.115 0.000 2.985 124 T HA 0.495 4.845 4.350 -0.000 0.000 0.254 124 T C 1.144 175.757 174.700 -0.146 0.000 1.021 124 T CA 0.411 62.413 62.100 -0.162 0.000 0.957 124 T CB 0.652 69.361 68.868 -0.265 0.000 1.047 124 T HN 1.563 nan 8.240 nan 0.000 0.511 125 G N 1.746 110.478 108.800 -0.113 0.000 2.692 125 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.686 125 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.686 125 G C 0.254 175.016 174.900 -0.230 0.000 1.243 125 G CA -0.278 44.739 45.100 -0.139 0.000 0.782 125 G HN 0.585 nan 8.290 nan 0.000 0.625 126 W N 0.896 121.897 121.300 -0.498 0.000 2.538 126 W HA -0.063 4.597 4.660 -0.000 0.000 0.254 126 W C 1.485 177.774 176.519 -0.384 0.000 1.249 126 W CA 1.981 58.843 57.345 -0.805 0.000 1.253 126 W CB -1.503 27.422 29.460 -0.891 0.000 1.130 126 W HN 1.040 nan 8.180 nan 0.000 0.618 127 T N -0.972 112.954 114.554 -1.046 0.000 3.055 127 T HA 0.032 4.382 4.350 -0.000 0.000 0.265 127 T C 1.226 175.425 174.700 -0.834 0.000 1.111 127 T CA 0.812 61.989 62.100 -1.539 0.000 1.118 127 T CB -0.802 67.148 68.868 -1.530 0.000 0.909 127 T HN 0.111 nan 8.240 nan 0.000 0.501 128 V N 0.727 120.379 119.914 -0.435 0.000 4.766 128 V HA -0.240 3.880 4.120 -0.000 0.000 0.260 128 V C 0.248 176.132 176.094 -0.350 0.000 0.542 128 V CA 0.379 62.527 62.300 -0.253 0.000 0.766 128 V CB -2.897 28.872 31.823 -0.090 0.000 0.697 128 V HN 0.711 nan 8.190 nan 0.000 1.171 129 Y N 1.839 121.841 120.300 -0.498 0.000 2.610 129 Y HA 0.226 4.776 4.550 -0.000 0.000 0.332 129 Y C -0.869 174.741 175.900 -0.484 0.000 1.201 129 Y CA -1.593 56.168 58.100 -0.564 0.000 1.465 129 Y CB 0.880 39.181 38.460 -0.265 0.000 1.283 129 Y HN 0.271 nan 8.280 nan 0.000 0.563 130 P HA 0.206 nan 4.420 nan 0.000 0.283 130 P C -2.484 174.761 177.300 -0.091 0.000 1.271 130 P CA -2.074 60.891 63.100 -0.225 0.000 0.841 130 P CB 1.602 33.168 31.700 -0.224 0.000 1.122 131 P HA 0.019 nan 4.420 nan 0.000 0.231 131 P C 1.597 178.920 177.300 0.039 0.000 1.168 131 P CA 0.197 63.312 63.100 0.024 0.000 0.779 131 P CB -0.074 31.654 31.700 0.046 0.000 0.844 132 L N 0.383 121.635 121.223 0.049 0.000 2.129 132 L HA -0.153 4.187 4.340 -0.000 0.000 0.212 132 L C 1.930 178.876 176.870 0.126 0.000 1.087 132 L CA 2.055 56.960 54.840 0.108 0.000 0.757 132 L CB -1.327 40.795 42.059 0.104 0.000 0.896 132 L HN -0.072 nan 8.230 nan 0.000 0.434 133 A N -1.022 121.782 122.820 -0.027 0.000 2.218 133 A HA 0.385 4.705 4.320 -0.000 0.000 0.209 133 A C 1.438 179.010 177.584 -0.020 0.000 1.168 133 A CA 0.387 52.361 52.037 -0.105 0.000 0.804 133 A CB -1.183 17.685 19.000 -0.221 0.000 0.834 133 A HN 0.472 nan 8.150 nan 0.000 0.482 134 G N 0.162 108.977 108.800 0.025 0.000 2.684 134 G HA2 0.230 4.190 3.960 -0.000 0.000 0.255 134 G HA3 0.230 4.190 3.960 -0.000 0.000 0.255 134 G C 0.602 175.544 174.900 0.071 0.000 1.219 134 G CA 0.164 45.293 45.100 0.048 0.000 0.901 134 G HN 0.481 nan 8.290 nan 0.000 0.548 135 N N -0.615 118.120 118.700 0.058 0.000 2.609 135 N HA -0.067 4.673 4.740 -0.000 0.000 0.190 135 N C 1.457 176.995 175.510 0.048 0.000 1.157 135 N CA 0.696 53.779 53.050 0.054 0.000 0.918 135 N CB 0.046 38.559 38.487 0.043 0.000 0.978 135 N HN 0.316 nan 8.380 nan 0.000 0.448 136 L N -0.648 120.604 121.223 0.048 0.000 2.349 136 L HA 0.486 4.826 4.340 -0.000 0.000 0.200 136 L C 1.999 178.886 176.870 0.027 0.000 1.064 136 L CA 1.044 55.904 54.840 0.034 0.000 0.821 136 L CB -0.845 41.233 42.059 0.032 0.000 1.027 136 L HN 0.118 nan 8.230 nan 0.000 0.476 137 A N -2.046 120.802 122.820 0.046 0.000 2.169 137 A HA 0.037 4.357 4.320 -0.000 0.000 0.212 137 A C 0.277 177.843 177.584 -0.031 0.000 1.153 137 A CA 0.633 52.686 52.037 0.028 0.000 0.756 137 A CB -0.656 18.390 19.000 0.077 0.000 0.813 137 A HN 0.632 nan 8.150 nan 0.000 0.471 138 H N -0.944 118.136 119.070 0.016 0.000 2.597 138 H HA 0.518 5.074 4.556 -0.000 0.000 0.225 138 H C 0.061 175.400 175.328 0.018 0.000 1.422 138 H CA -0.066 55.993 56.048 0.017 0.000 1.335 138 H CB 0.437 30.206 29.762 0.011 0.000 1.783 138 H HN 0.400 nan 8.280 nan 0.000 0.513 139 A N 1.032 123.881 122.820 0.049 0.000 2.445 139 A HA 0.610 4.930 4.320 -0.000 0.000 0.242 139 A C 1.006 178.624 177.584 0.056 0.000 1.075 139 A CA 0.785 52.851 52.037 0.047 0.000 0.777 139 A CB -0.103 18.910 19.000 0.022 0.000 1.013 139 A HN 0.861 nan 8.150 nan 0.000 0.493 140 G N -0.821 108.014 108.800 0.059 0.000 2.462 140 G HA2 0.390 4.350 3.960 -0.000 0.000 0.685 140 G HA3 0.390 4.350 3.960 -0.000 0.000 0.685 140 G C 0.615 175.559 174.900 0.073 0.000 1.295 140 G CA 0.113 45.251 45.100 0.063 0.000 0.941 140 G HN 1.903 nan 8.290 nan 0.000 0.554 141 A N -0.333 122.533 122.820 0.077 0.000 2.066 141 A HA 0.310 4.630 4.320 -0.000 0.000 0.218 141 A C 2.698 180.333 177.584 0.085 0.000 1.157 141 A CA 2.526 54.615 52.037 0.086 0.000 0.670 141 A CB -0.677 18.380 19.000 0.095 0.000 0.804 141 A HN 1.585 nan 8.150 nan 0.000 0.453 142 S N -0.163 115.593 115.700 0.094 0.000 2.389 142 S HA -0.216 4.254 4.470 -0.000 0.000 0.229 142 S C 1.871 176.506 174.600 0.058 0.000 1.048 142 S CA 1.886 60.145 58.200 0.098 0.000 1.117 142 S CB -0.632 62.650 63.200 0.135 0.000 1.020 142 S HN 0.378 nan 8.310 nan 0.000 0.430 143 V N 2.295 122.231 119.914 0.036 0.000 2.490 143 V HA -0.153 3.967 4.120 -0.000 0.000 0.250 143 V C 1.997 178.035 176.094 -0.094 0.000 1.061 143 V CA 1.675 63.950 62.300 -0.041 0.000 1.064 143 V CB -0.697 31.086 31.823 -0.066 0.000 0.670 143 V HN 0.408 nan 8.190 nan 0.000 0.461 144 D N 0.062 120.416 120.400 -0.077 0.000 2.144 144 D HA -0.099 4.541 4.640 -0.000 0.000 0.200 144 D C 2.144 178.326 176.300 -0.197 0.000 0.978 144 D CA 1.098 54.976 54.000 -0.202 0.000 0.833 144 D CB -0.081 40.669 40.800 -0.083 0.000 0.961 144 D HN 0.349 nan 8.370 nan 0.000 0.470 145 L N 0.556 121.798 121.223 0.031 0.000 2.093 145 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 145 L C 2.505 179.402 176.870 0.045 0.000 1.085 145 L CA 0.955 55.882 54.840 0.145 0.000 0.755 145 L CB -0.433 41.713 42.059 0.144 0.000 0.904 145 L HN -0.004 nan 8.230 nan 0.000 0.435 146 T N 0.006 114.534 114.554 -0.044 0.000 2.821 146 T HA -0.116 4.234 4.350 -0.000 0.000 0.267 146 T C 1.902 176.444 174.700 -0.263 0.000 1.046 146 T CA 1.192 63.213 62.100 -0.131 0.000 1.139 146 T CB -0.097 68.724 68.868 -0.079 0.000 0.871 146 T HN 0.186 nan 8.240 nan 0.000 0.454 147 I N 0.157 120.542 120.570 -0.307 0.000 2.252 147 I HA -0.117 4.053 4.170 -0.000 0.000 0.245 147 I C 1.909 177.761 176.117 -0.442 0.000 1.102 147 I CA 1.223 62.247 61.300 -0.460 0.000 1.385 147 I CB -0.297 37.377 38.000 -0.544 0.000 1.064 147 I HN 0.176 nan 8.210 nan 0.000 0.414 148 F N 0.384 120.260 119.950 -0.124 0.000 2.171 148 F HA -0.215 4.312 4.527 -0.000 0.000 0.300 148 F C 2.933 178.717 175.800 -0.027 0.000 1.090 148 F CA 1.415 59.423 58.000 0.013 0.000 1.293 148 F CB -1.204 37.831 39.000 0.058 0.000 1.013 148 F HN 0.020 nan 8.300 nan 0.000 0.486 149 S N 0.165 115.907 115.700 0.070 0.000 2.356 149 S HA -0.154 4.316 4.470 -0.000 0.000 0.223 149 S C 2.205 176.723 174.600 -0.136 0.000 1.032 149 S CA 1.126 59.332 58.200 0.010 0.000 1.005 149 S CB -0.432 62.753 63.200 -0.026 0.000 0.867 149 S HN 0.333 nan 8.310 nan 0.000 0.449 150 L N 0.252 121.265 121.223 -0.350 0.000 2.046 150 L HA -0.114 4.226 4.340 -0.000 0.000 0.208 150 L C 2.461 179.181 176.870 -0.250 0.000 1.077 150 L CA 1.807 56.346 54.840 -0.503 0.000 0.747 150 L CB -0.749 40.945 42.059 -0.609 0.000 0.896 150 L HN 0.484 nan 8.230 nan 0.000 0.432 151 H N -0.471 118.519 119.070 -0.134 0.000 2.319 151 H HA -0.197 4.359 4.556 -0.000 0.000 0.297 151 H C 2.352 177.662 175.328 -0.031 0.000 1.097 151 H CA 1.307 57.323 56.048 -0.054 0.000 1.285 151 H CB 0.091 29.888 29.762 0.058 0.000 1.368 151 H HN 0.222 nan 8.280 nan 0.000 0.495 152 L N -0.118 121.184 121.223 0.133 0.000 2.027 152 L HA -0.151 4.189 4.340 -0.000 0.000 0.206 152 L C 2.880 179.786 176.870 0.061 0.000 1.074 152 L CA 0.893 55.781 54.840 0.081 0.000 0.745 152 L CB -0.645 41.462 42.059 0.080 0.000 0.898 152 L HN 0.346 nan 8.230 nan 0.000 0.433 153 A N 0.418 123.263 122.820 0.042 0.000 1.972 153 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 153 A C 2.375 179.999 177.584 0.065 0.000 1.169 153 A CA 1.693 53.770 52.037 0.068 0.000 0.635 153 A CB -1.032 17.945 19.000 -0.039 0.000 0.810 153 A HN 0.458 nan 8.150 nan 0.000 0.446 154 G N -0.725 108.080 108.800 0.008 0.000 2.394 154 G HA2 -0.044 3.916 3.960 -0.000 0.000 0.215 154 G HA3 -0.044 3.916 3.960 -0.000 0.000 0.215 154 G C 1.491 176.430 174.900 0.065 0.000 1.165 154 G CA 1.101 46.220 45.100 0.031 0.000 0.784 154 G HN 0.292 nan 8.290 nan 0.000 0.535 155 V N 0.926 120.873 119.914 0.056 0.000 2.295 155 V HA -0.188 3.932 4.120 -0.000 0.000 0.246 155 V C 3.040 179.176 176.094 0.070 0.000 1.049 155 V CA 2.193 64.522 62.300 0.049 0.000 1.024 155 V CB -0.407 31.433 31.823 0.028 0.000 0.648 155 V HN 0.492 nan 8.190 nan 0.000 0.447 156 S N -0.245 115.502 115.700 0.079 0.000 2.365 156 S HA -0.262 4.208 4.470 -0.000 0.000 0.225 156 S C 2.219 176.907 174.600 0.148 0.000 1.039 156 S CA 2.447 60.709 58.200 0.104 0.000 1.033 156 S CB -0.358 62.900 63.200 0.098 0.000 0.887 156 S HN 0.597 nan 8.310 nan 0.000 0.447 157 S N 0.682 116.476 115.700 0.157 0.000 2.383 157 S HA 0.126 4.596 4.470 -0.000 0.000 0.227 157 S C 1.751 176.447 174.600 0.159 0.000 1.026 157 S CA 1.138 59.442 58.200 0.175 0.000 0.981 157 S CB -0.358 62.955 63.200 0.188 0.000 0.818 157 S HN 0.528 nan 8.310 nan 0.000 0.472 158 I N 1.239 121.887 120.570 0.129 0.000 2.315 158 I HA -0.146 4.024 4.170 -0.000 0.000 0.248 158 I C 1.911 178.094 176.117 0.111 0.000 1.117 158 I CA 0.964 62.333 61.300 0.115 0.000 1.404 158 I CB -0.225 37.826 38.000 0.085 0.000 1.071 158 I HN 0.245 nan 8.210 nan 0.000 0.419 159 L N 0.085 121.368 121.223 0.101 0.000 2.056 159 L HA -0.119 4.221 4.340 -0.000 0.000 0.207 159 L C 2.643 179.586 176.870 0.122 0.000 1.078 159 L CA 1.518 56.414 54.840 0.092 0.000 0.749 159 L CB -1.145 40.958 42.059 0.074 0.000 0.901 159 L HN 0.311 nan 8.230 nan 0.000 0.433 160 G N -0.418 108.474 108.800 0.153 0.000 2.422 160 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 160 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 160 G C 1.769 176.835 174.900 0.276 0.000 1.146 160 G CA 0.773 45.981 45.100 0.181 0.000 0.769 160 G HN 0.458 nan 8.290 nan 0.000 0.547 161 A N 0.728 123.701 122.820 0.254 0.000 1.930 161 A HA 0.105 4.425 4.320 -0.000 0.000 0.217 161 A C 2.367 180.075 177.584 0.206 0.000 1.175 161 A CA 1.090 53.276 52.037 0.249 0.000 0.627 161 A CB -0.307 18.798 19.000 0.176 0.000 0.815 161 A HN 0.367 nan 8.150 nan 0.000 0.443 162 I N -0.123 120.550 120.570 0.170 0.000 2.286 162 I HA -0.235 3.935 4.170 -0.000 0.000 0.248 162 I C 2.466 178.712 176.117 0.214 0.000 1.115 162 I CA 1.271 62.676 61.300 0.176 0.000 1.392 162 I CB -0.360 37.730 38.000 0.150 0.000 1.065 162 I HN 0.361 nan 8.210 nan 0.000 0.418 163 N N 1.189 119.992 118.700 0.172 0.000 2.080 163 N HA -0.157 4.583 4.740 -0.000 0.000 0.189 163 N C 1.907 177.350 175.510 -0.112 0.000 1.036 163 N CA 1.673 54.740 53.050 0.029 0.000 0.846 163 N CB -0.317 38.114 38.487 -0.093 0.000 1.015 163 N HN 0.203 nan 8.380 nan 0.000 0.423 164 F N 1.274 121.213 119.950 -0.017 0.000 2.069 164 F HA -0.097 4.430 4.527 -0.000 0.000 0.298 164 F C 2.376 178.127 175.800 -0.083 0.000 1.113 164 F CA 0.910 58.871 58.000 -0.065 0.000 1.214 164 F CB -0.225 38.743 39.000 -0.052 0.000 0.978 164 F HN 0.032 nan 8.300 nan 0.000 0.474 165 I N -0.644 120.019 120.570 0.156 0.000 2.208 165 I HA -0.307 3.863 4.170 -0.000 0.000 0.245 165 I C 2.253 178.365 176.117 -0.007 0.000 1.097 165 I CA 1.655 62.990 61.300 0.059 0.000 1.363 165 I CB -0.963 37.082 38.000 0.074 0.000 1.051 165 I HN 0.155 nan 8.210 nan 0.000 0.413 166 T N -0.025 114.519 114.554 -0.017 0.000 2.777 166 T HA -0.144 4.206 4.350 -0.000 0.000 0.266 166 T C 1.929 176.517 174.700 -0.187 0.000 1.040 166 T CA 1.947 63.990 62.100 -0.095 0.000 1.141 166 T CB -0.328 68.462 68.868 -0.130 0.000 0.868 166 T HN 0.361 nan 8.240 nan 0.000 0.444 167 T N 2.081 116.505 114.554 -0.217 0.000 2.708 167 T HA 0.057 4.407 4.350 -0.000 0.000 0.266 167 T C 1.956 176.556 174.700 -0.167 0.000 1.037 167 T CA 0.895 62.858 62.100 -0.228 0.000 1.146 167 T CB -0.358 68.366 68.868 -0.241 0.000 0.865 167 T HN 0.323 nan 8.240 nan 0.000 0.435 168 I N 0.525 121.021 120.570 -0.122 0.000 2.493 168 I HA -0.095 4.075 4.170 -0.000 0.000 0.254 168 I C 1.933 177.941 176.117 -0.182 0.000 1.160 168 I CA 0.687 61.897 61.300 -0.150 0.000 1.445 168 I CB -0.197 37.717 38.000 -0.143 0.000 1.086 168 I HN 0.205 nan 8.210 nan 0.000 0.433 169 I N 0.413 120.893 120.570 -0.151 0.000 2.400 169 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 169 I C 2.068 178.108 176.117 -0.130 0.000 1.109 169 I CA 1.484 62.698 61.300 -0.143 0.000 1.425 169 I CB -1.226 36.716 38.000 -0.097 0.000 1.094 169 I HN 0.247 nan 8.210 nan 0.000 0.425 170 N N 0.258 118.881 118.700 -0.128 0.000 2.392 170 N HA 0.073 4.813 4.740 -0.000 0.000 0.177 170 N C 1.049 176.480 175.510 -0.132 0.000 1.066 170 N CA 0.478 53.456 53.050 -0.120 0.000 0.895 170 N CB 0.223 38.636 38.487 -0.122 0.000 0.988 170 N HN 0.154 nan 8.380 nan 0.000 0.457 171 M N 0.150 119.657 119.600 -0.154 0.000 2.771 171 M HA 0.231 4.711 4.480 -0.000 0.000 0.341 171 M C -0.536 175.669 176.300 -0.159 0.000 1.226 171 M CA -0.190 55.016 55.300 -0.157 0.000 0.955 171 M CB 0.708 33.199 32.600 -0.183 0.000 1.318 171 M HN -0.159 nan 8.290 nan 0.000 0.514 172 K N 1.162 121.473 120.400 -0.147 0.000 2.087 172 K HA 0.495 4.814 4.320 -0.000 0.000 0.255 172 K C -2.454 174.071 176.600 -0.125 0.000 0.988 172 K CA -1.727 54.473 56.287 -0.145 0.000 0.915 172 K CB 0.326 32.742 32.500 -0.140 0.000 1.043 172 K HN -0.125 nan 8.250 nan 0.000 0.457 173 P HA -0.008 nan 4.420 nan 0.000 0.266 173 P C -2.112 175.135 177.300 -0.089 0.000 1.195 173 P CA -0.854 62.187 63.100 -0.100 0.000 0.768 173 P CB 0.131 31.778 31.700 -0.089 0.000 0.838 174 P HA -0.255 nan 4.420 nan 0.000 0.217 174 P C 0.982 178.239 177.300 -0.072 0.000 1.151 174 P CA 1.989 65.043 63.100 -0.076 0.000 0.849 174 P CB -0.179 31.476 31.700 -0.075 0.000 0.787 175 A N -1.847 120.924 122.820 -0.081 0.000 2.132 175 A HA 0.073 4.393 4.320 -0.000 0.000 0.213 175 A C 1.276 178.832 177.584 -0.047 0.000 1.154 175 A CA 0.017 52.013 52.037 -0.067 0.000 0.753 175 A CB -0.880 18.068 19.000 -0.088 0.000 0.826 175 A HN 0.167 nan 8.150 nan 0.000 0.469 176 M N 2.261 121.829 119.600 -0.054 0.000 2.194 176 M HA 0.244 4.724 4.480 -0.000 0.000 0.347 176 M C 0.497 176.765 176.300 -0.053 0.000 1.439 176 M CA -0.189 55.085 55.300 -0.043 0.000 1.131 176 M CB 0.491 33.058 32.600 -0.055 0.000 1.733 176 M HN 0.433 nan 8.290 nan 0.000 0.467 177 S N 3.459 119.144 115.700 -0.025 0.000 2.686 177 S HA 0.163 4.633 4.470 -0.000 0.000 0.270 177 S C 0.634 175.165 174.600 -0.115 0.000 1.194 177 S CA -0.481 57.688 58.200 -0.051 0.000 0.990 177 S CB 1.313 64.531 63.200 0.029 0.000 1.029 177 S HN 0.822 nan 8.310 nan 0.000 0.560 178 Q N -0.480 119.156 119.800 -0.273 0.000 2.224 178 Q HA 0.059 4.399 4.340 -0.000 0.000 0.203 178 Q C 0.442 176.382 176.000 -0.100 0.000 0.970 178 Q CA 1.535 57.097 55.803 -0.400 0.000 0.865 178 Q CB -0.555 27.826 28.738 -0.595 0.000 0.922 178 Q HN 0.833 nan 8.270 nan 0.000 0.445 179 Y N -0.619 119.893 120.300 0.354 0.000 2.471 179 Y HA 0.190 4.739 4.550 -0.000 0.000 0.321 179 Y C 0.706 176.789 175.900 0.305 0.000 1.195 179 Y CA 0.202 58.612 58.100 0.517 0.000 1.272 179 Y CB 0.081 38.766 38.460 0.374 0.000 1.097 179 Y HN 0.105 nan 8.280 nan 0.000 0.507 180 Q N -0.663 119.297 119.800 0.266 0.000 2.103 180 Q HA 0.116 4.456 4.340 -0.000 0.000 0.219 180 Q C 0.281 176.356 176.000 0.126 0.000 0.784 180 Q CA -0.121 55.742 55.803 0.100 0.000 1.014 180 Q CB 0.910 29.675 28.738 0.046 0.000 1.183 180 Q HN 0.294 nan 8.270 nan 0.000 0.469 181 T N -1.897 112.791 114.554 0.223 0.000 2.909 181 T HA 0.601 4.951 4.350 -0.000 0.000 0.286 181 T C -2.553 172.392 174.700 0.409 0.000 1.002 181 T CA -2.137 60.058 62.100 0.158 0.000 1.074 181 T CB 1.476 70.274 68.868 -0.117 0.000 0.984 181 T HN -0.226 nan 8.240 nan 0.000 0.495 182 P HA 0.218 nan 4.420 nan 0.000 0.272 182 P C 1.019 178.723 177.300 0.673 0.000 1.230 182 P CA -0.550 62.877 63.100 0.544 0.000 0.788 182 P CB 0.450 32.502 31.700 0.587 0.000 0.949 183 L N 0.546 122.196 121.223 0.711 0.000 2.127 183 L HA -0.183 4.157 4.340 -0.000 0.000 0.211 183 L C 2.112 179.332 176.870 0.583 0.000 1.089 183 L CA 1.380 56.582 54.840 0.603 0.000 0.757 183 L CB -0.632 41.689 42.059 0.437 0.000 0.899 183 L HN 0.382 nan 8.230 nan 0.000 0.434 184 F N 0.222 120.508 119.950 0.560 0.000 2.186 184 F HA -0.154 4.373 4.527 -0.000 0.000 0.299 184 F C 2.201 178.084 175.800 0.138 0.000 1.090 184 F CA 1.239 59.343 58.000 0.174 0.000 1.307 184 F CB -0.266 38.578 39.000 -0.261 0.000 1.019 184 F HN -0.252 nan 8.300 nan 0.000 0.489 185 V N -0.996 118.949 119.914 0.052 0.000 2.343 185 V HA -0.322 3.798 4.120 -0.000 0.000 0.247 185 V C 2.133 178.158 176.094 -0.114 0.000 1.051 185 V CA 2.027 64.258 62.300 -0.115 0.000 1.036 185 V CB -1.087 30.726 31.823 -0.017 0.000 0.654 185 V HN 0.490 nan 8.190 nan 0.000 0.451 186 W N 0.818 122.100 121.300 -0.030 0.000 2.335 186 W HA -0.247 4.413 4.660 -0.000 0.000 0.311 186 W C 3.047 179.515 176.519 -0.085 0.000 1.213 186 W CA 1.983 59.312 57.345 -0.027 0.000 1.274 186 W CB -0.394 29.081 29.460 0.025 0.000 1.148 186 W HN 0.367 nan 8.180 nan 0.000 0.498 187 S N -0.485 115.303 115.700 0.147 0.000 2.382 187 S HA -0.179 4.291 4.470 -0.000 0.000 0.228 187 S C 1.702 176.197 174.600 -0.174 0.000 1.027 187 S CA 1.587 59.797 58.200 0.017 0.000 0.991 187 S CB -0.946 62.284 63.200 0.049 0.000 0.823 187 S HN 0.057 nan 8.310 nan 0.000 0.469 188 V N 1.780 121.440 119.914 -0.423 0.000 2.427 188 V HA -0.070 4.050 4.120 -0.000 0.000 0.248 188 V C 2.604 178.508 176.094 -0.317 0.000 1.051 188 V CA 2.084 64.066 62.300 -0.531 0.000 1.048 188 V CB -0.677 30.648 31.823 -0.830 0.000 0.666 188 V HN 0.608 nan 8.190 nan 0.000 0.456 189 M N -0.551 118.942 119.600 -0.177 0.000 2.132 189 M HA -0.131 4.349 4.480 -0.000 0.000 0.263 189 M C 2.062 178.371 176.300 0.015 0.000 1.065 189 M CA 1.966 57.224 55.300 -0.069 0.000 1.122 189 M CB -0.159 32.395 32.600 -0.076 0.000 1.365 189 M HN 0.247 nan 8.290 nan 0.000 0.411 190 I N -0.455 120.158 120.570 0.072 0.000 2.226 190 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 190 I C 2.143 178.301 176.117 0.069 0.000 1.100 190 I CA 1.419 62.787 61.300 0.114 0.000 1.374 190 I CB -0.730 37.361 38.000 0.152 0.000 1.057 190 I HN 0.311 nan 8.210 nan 0.000 0.413 191 T N 0.788 115.342 114.554 0.001 0.000 2.720 191 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 191 T C 2.060 176.763 174.700 0.004 0.000 1.037 191 T CA 1.554 63.639 62.100 -0.025 0.000 1.144 191 T CB -0.280 68.524 68.868 -0.107 0.000 0.864 191 T HN 0.493 nan 8.240 nan 0.000 0.444 192 A N 0.844 123.658 122.820 -0.010 0.000 1.902 192 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 192 A C 2.576 180.221 177.584 0.103 0.000 1.181 192 A CA 1.421 53.489 52.037 0.053 0.000 0.623 192 A CB -0.997 18.045 19.000 0.070 0.000 0.818 192 A HN 0.363 nan 8.150 nan 0.000 0.443 193 V N 0.427 120.405 119.914 0.106 0.000 2.343 193 V HA -0.259 3.861 4.120 -0.000 0.000 0.247 193 V C 2.560 178.775 176.094 0.202 0.000 1.051 193 V CA 1.866 64.248 62.300 0.137 0.000 1.036 193 V CB -0.782 31.122 31.823 0.136 0.000 0.654 193 V HN 0.562 nan 8.190 nan 0.000 0.451 194 L N -0.825 120.529 121.223 0.219 0.000 2.046 194 L HA -0.202 4.138 4.340 -0.000 0.000 0.208 194 L C 2.455 179.475 176.870 0.250 0.000 1.077 194 L CA 1.628 56.642 54.840 0.291 0.000 0.747 194 L CB -0.653 41.468 42.059 0.102 0.000 0.896 194 L HN 0.322 nan 8.230 nan 0.000 0.432 195 L N -0.642 120.681 121.223 0.167 0.000 2.046 195 L HA -0.249 4.090 4.340 -0.000 0.000 0.208 195 L C 2.596 179.585 176.870 0.199 0.000 1.077 195 L CA 0.852 55.799 54.840 0.178 0.000 0.747 195 L CB -0.443 41.703 42.059 0.146 0.000 0.896 195 L HN 0.215 nan 8.230 nan 0.000 0.432 196 L N -0.321 121.007 121.223 0.176 0.000 2.042 196 L HA -0.217 4.123 4.340 -0.000 0.000 0.210 196 L C 2.228 179.195 176.870 0.162 0.000 1.076 196 L CA 1.829 56.758 54.840 0.149 0.000 0.749 196 L CB -0.254 41.878 42.059 0.122 0.000 0.893 196 L HN 0.128 nan 8.230 nan 0.000 0.432 197 L N -1.593 119.756 121.223 0.211 0.000 2.209 197 L HA -0.024 4.316 4.340 -0.000 0.000 0.207 197 L C 2.484 179.574 176.870 0.367 0.000 1.094 197 L CA 0.967 55.937 54.840 0.215 0.000 0.790 197 L CB -0.617 41.480 42.059 0.064 0.000 0.932 197 L HN 0.427 nan 8.230 nan 0.000 0.447 198 S N -0.289 115.673 115.700 0.436 0.000 2.412 198 S HA 0.001 4.471 4.470 -0.000 0.000 0.223 198 S C 1.954 176.802 174.600 0.414 0.000 1.048 198 S CA 0.093 58.561 58.200 0.445 0.000 0.954 198 S CB -0.554 62.796 63.200 0.249 0.000 0.840 198 S HN 0.255 nan 8.310 nan 0.000 0.503 199 L N 1.914 123.347 121.223 0.350 0.000 2.081 199 L HA -0.016 4.324 4.340 -0.000 0.000 0.212 199 L C -0.803 176.086 176.870 0.031 0.000 1.080 199 L CA 1.330 56.258 54.840 0.147 0.000 0.754 199 L CB -1.359 40.778 42.059 0.130 0.000 0.893 199 L HN 0.317 nan 8.230 nan 0.000 0.433 200 P HA -0.106 nan 4.420 nan 0.000 0.219 200 P C 1.842 179.146 177.300 0.007 0.000 1.150 200 P CA 0.948 64.069 63.100 0.035 0.000 0.814 200 P CB 0.132 31.861 31.700 0.049 0.000 0.787 201 V N -0.298 119.647 119.914 0.052 0.000 2.379 201 V HA -0.190 3.930 4.120 -0.000 0.000 0.245 201 V C 2.355 178.407 176.094 -0.069 0.000 1.044 201 V CA 1.415 63.718 62.300 0.005 0.000 1.036 201 V CB -1.231 30.654 31.823 0.104 0.000 0.664 201 V HN 0.060 nan 8.190 nan 0.000 0.453 202 L N 1.167 122.315 121.223 -0.125 0.000 2.046 202 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 202 L C 2.438 179.162 176.870 -0.245 0.000 1.077 202 L CA 2.393 57.024 54.840 -0.348 0.000 0.747 202 L CB -0.867 40.644 42.059 -0.913 0.000 0.896 202 L HN 0.197 nan 8.230 nan 0.000 0.432 203 A N -0.194 122.535 122.820 -0.153 0.000 1.883 203 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 203 A C 2.495 180.080 177.584 0.002 0.000 1.186 203 A CA 2.031 54.055 52.037 -0.022 0.000 0.624 203 A CB -1.309 17.707 19.000 0.027 0.000 0.822 203 A HN 0.629 nan 8.150 nan 0.000 0.444 204 A N -0.479 122.313 122.820 -0.047 0.000 1.865 204 A HA 0.064 4.384 4.320 -0.000 0.000 0.217 204 A C 2.475 180.014 177.584 -0.075 0.000 1.191 204 A CA 2.175 54.170 52.037 -0.070 0.000 0.623 204 A CB -1.538 17.404 19.000 -0.097 0.000 0.826 204 A HN 0.788 nan 8.150 nan 0.000 0.444 205 G N 0.689 109.441 108.800 -0.080 0.000 2.446 205 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.217 205 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.217 205 G C 1.512 176.474 174.900 0.102 0.000 1.168 205 G CA 1.314 46.395 45.100 -0.032 0.000 0.771 205 G HN 0.926 nan 8.290 nan 0.000 0.551 206 I N -1.595 118.985 120.570 0.017 0.000 2.830 206 I HA 0.037 4.207 4.170 -0.000 0.000 0.263 206 I C 2.190 178.317 176.117 0.018 0.000 1.230 206 I CA 1.452 62.771 61.300 0.032 0.000 1.480 206 I CB -0.443 37.456 38.000 -0.168 0.000 1.095 206 I HN -0.056 nan 8.210 nan 0.000 0.455 207 T N 1.342 115.934 114.554 0.064 0.000 2.851 207 T HA 0.069 4.419 4.350 -0.000 0.000 0.262 207 T C 1.916 176.637 174.700 0.035 0.000 1.043 207 T CA 1.442 63.600 62.100 0.096 0.000 1.140 207 T CB -0.141 68.786 68.868 0.098 0.000 0.872 207 T HN 0.305 nan 8.240 nan 0.000 0.446 208 M N 0.542 120.109 119.600 -0.055 0.000 2.149 208 M HA -0.054 4.426 4.480 -0.000 0.000 0.261 208 M C 2.227 178.604 176.300 0.129 0.000 1.064 208 M CA 1.288 56.450 55.300 -0.230 0.000 1.102 208 M CB -0.436 31.756 32.600 -0.681 0.000 1.369 208 M HN 0.167 nan 8.290 nan 0.000 0.408 209 L N 0.403 121.829 121.223 0.338 0.000 2.056 209 L HA -0.126 4.214 4.340 -0.000 0.000 0.207 209 L C 2.144 179.088 176.870 0.124 0.000 1.078 209 L CA 1.500 56.532 54.840 0.321 0.000 0.749 209 L CB -0.672 41.530 42.059 0.238 0.000 0.901 209 L HN 0.204 nan 8.230 nan 0.000 0.433 210 L N -0.672 120.584 121.223 0.054 0.000 2.046 210 L HA -0.199 4.141 4.340 -0.000 0.000 0.208 210 L C 2.564 179.465 176.870 0.052 0.000 1.077 210 L CA 2.476 57.310 54.840 -0.009 0.000 0.747 210 L CB -0.889 41.141 42.059 -0.047 0.000 0.896 210 L HN 0.603 nan 8.230 nan 0.000 0.432 211 T N -4.777 109.837 114.554 0.100 0.000 2.904 211 T HA -0.128 4.222 4.350 -0.000 0.000 0.267 211 T C 1.633 176.395 174.700 0.104 0.000 1.059 211 T CA 1.155 63.326 62.100 0.119 0.000 1.137 211 T CB -0.578 68.398 68.868 0.179 0.000 0.879 211 T HN 0.272 nan 8.240 nan 0.000 0.467 212 D N 1.327 121.803 120.400 0.126 0.000 2.144 212 D HA 0.027 4.667 4.640 -0.000 0.000 0.199 212 D C 2.459 178.796 176.300 0.063 0.000 0.984 212 D CA 0.840 54.891 54.000 0.086 0.000 0.834 212 D CB -0.141 40.734 40.800 0.125 0.000 0.955 212 D HN 0.431 nan 8.370 nan 0.000 0.465 213 R N -0.282 120.257 120.500 0.064 0.000 2.153 213 R HA 0.144 4.484 4.340 -0.000 0.000 0.218 213 R C 1.099 177.424 176.300 0.041 0.000 1.072 213 R CA 0.709 56.836 56.100 0.045 0.000 0.990 213 R CB 0.192 30.509 30.300 0.027 0.000 0.889 213 R HN 0.187 nan 8.270 nan 0.000 0.452 214 N N -0.830 117.898 118.700 0.047 0.000 2.211 214 N HA 0.112 4.852 4.740 -0.000 0.000 0.216 214 N C 0.689 176.226 175.510 0.046 0.000 1.240 214 N CA 0.245 53.325 53.050 0.050 0.000 0.895 214 N CB 1.129 39.655 38.487 0.065 0.000 1.102 214 N HN 0.089 nan 8.380 nan 0.000 0.498 215 L N 0.953 122.203 121.223 0.044 0.000 3.122 215 L HA 0.290 4.630 4.340 -0.000 0.000 0.274 215 L C -0.242 176.633 176.870 0.008 0.000 1.222 215 L CA -0.048 54.811 54.840 0.032 0.000 1.028 215 L CB 0.025 42.111 42.059 0.045 0.000 1.386 215 L HN -0.054 nan 8.230 nan 0.000 0.578 216 N N 0.681 119.382 118.700 0.002 0.000 2.747 216 N HA -0.134 4.606 4.740 -0.000 0.000 0.249 216 N C 0.448 175.919 175.510 -0.065 0.000 1.107 216 N CA 1.333 54.369 53.050 -0.022 0.000 0.707 216 N CB -1.428 37.047 38.487 -0.020 0.000 1.054 216 N HN 0.532 nan 8.380 nan 0.000 0.555 217 T N -2.497 112.011 114.554 -0.077 0.000 2.816 217 T HA 0.564 4.914 4.350 -0.000 0.000 0.282 217 T C 1.125 175.695 174.700 -0.218 0.000 0.993 217 T CA 0.098 62.070 62.100 -0.212 0.000 0.994 217 T CB 1.762 70.491 68.868 -0.232 0.000 1.025 217 T HN 0.255 nan 8.240 nan 0.000 0.529 218 T N -1.542 112.785 114.554 -0.378 0.000 3.741 218 T HA 0.342 4.692 4.350 -0.000 0.000 0.242 218 T C 0.487 175.003 174.700 -0.307 0.000 1.042 218 T CA -0.691 61.264 62.100 -0.242 0.000 1.278 218 T CB -0.964 67.809 68.868 -0.158 0.000 0.994 218 T HN 0.460 nan 8.240 nan 0.000 0.594 219 F N 0.627 120.369 119.950 -0.347 0.000 2.134 219 F HA 0.126 4.653 4.527 -0.000 0.000 0.299 219 F C 1.260 176.774 175.800 -0.476 0.000 1.097 219 F CA 1.088 58.743 58.000 -0.575 0.000 1.264 219 F CB -0.173 38.151 39.000 -1.128 0.000 1.001 219 F HN 0.379 nan 8.300 nan 0.000 0.479 220 F N -1.513 118.568 119.950 0.218 0.000 2.661 220 F HA 0.216 4.743 4.527 -0.000 0.000 0.306 220 F C 0.076 175.915 175.800 0.065 0.000 1.094 220 F CA -0.872 57.205 58.000 0.129 0.000 1.254 220 F CB -0.360 38.703 39.000 0.106 0.000 1.040 220 F HN -0.277 nan 8.300 nan 0.000 0.562 221 D N 1.515 121.996 120.400 0.136 0.000 2.373 221 D HA 0.253 4.893 4.640 -0.000 0.000 0.227 221 D C -1.940 174.390 176.300 0.051 0.000 1.091 221 D CA -2.448 51.599 54.000 0.078 0.000 0.840 221 D CB 2.049 42.867 40.800 0.031 0.000 1.060 221 D HN -0.090 nan 8.370 nan 0.000 0.502 222 P HA -0.134 nan 4.420 nan 0.000 0.216 222 P C 1.034 178.349 177.300 0.024 0.000 1.150 222 P CA 1.311 64.439 63.100 0.047 0.000 0.837 222 P CB 0.238 31.968 31.700 0.050 0.000 0.786 223 A N -0.272 122.559 122.820 0.019 0.000 1.986 223 A HA -0.114 4.206 4.320 -0.000 0.000 0.220 223 A C 2.263 179.841 177.584 -0.009 0.000 1.171 223 A CA 2.077 54.118 52.037 0.006 0.000 0.640 223 A CB -1.699 17.304 19.000 0.006 0.000 0.811 223 A HN 0.336 nan 8.150 nan 0.000 0.451 224 G N -2.758 106.029 108.800 -0.021 0.000 3.088 224 G HA2 0.404 4.364 3.960 -0.000 0.000 0.217 224 G HA3 0.404 4.364 3.960 -0.000 0.000 0.217 224 G C 1.014 175.886 174.900 -0.046 0.000 1.159 224 G CA 0.498 45.570 45.100 -0.048 0.000 0.760 224 G HN 1.639 nan 8.290 nan 0.000 0.550 225 G N -1.116 107.674 108.800 -0.017 0.000 2.141 225 G HA2 0.014 3.974 3.960 -0.000 0.000 0.231 225 G HA3 0.014 3.974 3.960 -0.000 0.000 0.231 225 G C 0.738 175.644 174.900 0.011 0.000 0.984 225 G CA 0.156 45.254 45.100 -0.003 0.000 0.660 225 G HN 0.948 nan 8.290 nan 0.000 0.525 226 G N -0.914 107.894 108.800 0.014 0.000 2.563 226 G HA2 0.528 4.488 3.960 -0.000 0.000 0.283 226 G HA3 0.528 4.488 3.960 -0.000 0.000 0.283 226 G C -0.784 174.191 174.900 0.125 0.000 1.309 226 G CA 0.504 45.638 45.100 0.057 0.000 1.022 226 G HN 0.478 nan 8.290 nan 0.000 0.501 227 D N -1.443 119.089 120.400 0.221 0.000 2.764 227 D HA 0.333 4.973 4.640 -0.000 0.000 0.227 227 D C -2.075 174.403 176.300 0.296 0.000 1.347 227 D CA -1.622 52.511 54.000 0.222 0.000 0.953 227 D CB 2.194 43.114 40.800 0.200 0.000 1.476 227 D HN -0.052 nan 8.370 nan 0.000 0.585 228 P HA -0.064 nan 4.420 nan 0.000 0.219 228 P C 1.533 178.804 177.300 -0.048 0.000 1.146 228 P CA 0.478 63.614 63.100 0.060 0.000 0.808 228 P CB 0.334 32.040 31.700 0.011 0.000 0.779 229 I N -1.363 119.218 120.570 0.018 0.000 2.546 229 I HA -0.124 4.046 4.170 -0.000 0.000 0.255 229 I C 2.091 178.242 176.117 0.057 0.000 1.163 229 I CA 0.856 62.139 61.300 -0.028 0.000 1.457 229 I CB -1.590 36.429 38.000 0.031 0.000 1.092 229 I HN 0.007 nan 8.210 nan 0.000 0.434 230 L N 0.764 122.117 121.223 0.217 0.000 2.042 230 L HA -0.261 4.079 4.340 -0.000 0.000 0.210 230 L C 2.616 179.581 176.870 0.158 0.000 1.076 230 L CA 1.882 56.921 54.840 0.332 0.000 0.749 230 L CB -1.224 41.121 42.059 0.476 0.000 0.893 230 L HN 0.252 nan 8.230 nan 0.000 0.432 231 Y N 0.283 120.372 120.300 -0.352 0.000 2.165 231 Y HA -0.309 4.241 4.550 -0.000 0.000 0.286 231 Y C 2.564 178.245 175.900 -0.366 0.000 1.155 231 Y CA 2.254 59.896 58.100 -0.763 0.000 1.164 231 Y CB -0.273 37.321 38.460 -1.444 0.000 0.978 231 Y HN 0.408 nan 8.280 nan 0.000 0.513 232 Q N -1.104 118.556 119.800 -0.233 0.000 2.135 232 Q HA -0.246 4.094 4.340 -0.000 0.000 0.204 232 Q C 2.053 178.098 176.000 0.074 0.000 0.981 232 Q CA 1.563 57.263 55.803 -0.171 0.000 0.856 232 Q CB -0.340 28.234 28.738 -0.274 0.000 0.902 232 Q HN 0.623 nan 8.270 nan 0.000 0.425 233 H N 0.433 119.587 119.070 0.140 0.000 2.321 233 H HA -0.069 4.487 4.556 -0.000 0.000 0.300 233 H C 2.208 177.528 175.328 -0.014 0.000 1.087 233 H CA 1.173 57.359 56.048 0.229 0.000 1.319 233 H CB -0.133 29.766 29.762 0.228 0.000 1.379 233 H HN 0.214 nan 8.280 nan 0.000 0.501 234 L N -0.610 120.614 121.223 0.002 0.000 2.056 234 L HA -0.159 4.181 4.340 -0.000 0.000 0.207 234 L C 2.529 179.304 176.870 -0.158 0.000 1.078 234 L CA 1.000 55.763 54.840 -0.128 0.000 0.749 234 L CB -0.550 41.403 42.059 -0.177 0.000 0.901 234 L HN 0.094 nan 8.230 nan 0.000 0.433 235 F N -0.167 119.492 119.950 -0.486 0.000 2.075 235 F HA -0.232 4.295 4.527 -0.000 0.000 0.297 235 F C 2.058 177.655 175.800 -0.338 0.000 1.113 235 F CA 1.544 59.214 58.000 -0.551 0.000 1.218 235 F CB -0.376 38.087 39.000 -0.894 0.000 0.984 235 F HN -0.040 nan 8.300 nan 0.000 0.472 236 W N -1.065 120.324 121.300 0.148 0.000 2.519 236 W HA -0.121 4.539 4.660 -0.000 0.000 0.266 236 W C 2.222 178.720 176.519 -0.034 0.000 1.253 236 W CA 0.504 57.896 57.345 0.078 0.000 1.274 236 W CB -0.576 29.060 29.460 0.294 0.000 1.114 236 W HN 0.104 nan 8.180 nan 0.000 0.596 237 F N -0.088 119.782 119.950 -0.134 0.000 2.216 237 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 237 F C 2.115 177.844 175.800 -0.118 0.000 1.085 237 F CA 1.708 59.502 58.000 -0.343 0.000 1.326 237 F CB -0.447 38.225 39.000 -0.547 0.000 1.027 237 F HN -0.024 nan 8.300 nan 0.000 0.497 238 F N 0.043 119.877 119.950 -0.193 0.000 2.317 238 F HA 0.248 4.775 4.527 -0.000 0.000 0.290 238 F C 2.233 177.820 175.800 -0.355 0.000 1.075 238 F CA 1.244 59.081 58.000 -0.272 0.000 1.380 238 F CB -1.152 37.659 39.000 -0.314 0.000 1.093 238 F HN -0.135 nan 8.300 nan 0.000 0.524 239 G N -0.490 107.796 108.800 -0.857 0.000 2.442 239 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.219 239 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.219 239 G C 1.430 176.129 174.900 -0.335 0.000 1.141 239 G CA 1.399 46.025 45.100 -0.791 0.000 0.763 239 G HN 0.553 nan 8.290 nan 0.000 0.554 240 H N 1.698 120.747 119.070 -0.035 0.000 2.307 240 H HA 0.030 4.586 4.556 -0.000 0.000 0.303 240 H C 0.177 175.466 175.328 -0.066 0.000 1.073 240 H CA 1.367 57.461 56.048 0.077 0.000 1.338 240 H CB -0.697 29.183 29.762 0.197 0.000 1.389 240 H HN 0.242 nan 8.280 nan 0.000 0.503 241 P HA -0.171 nan 4.420 nan 0.000 0.217 241 P C 1.183 178.206 177.300 -0.463 0.000 1.148 241 P CA 2.026 64.820 63.100 -0.510 0.000 0.834 241 P CB 0.024 31.192 31.700 -0.888 0.000 0.783 242 E N -0.012 119.770 120.200 -0.697 0.000 2.153 242 E HA -0.149 4.201 4.350 -0.000 0.000 0.194 242 E C 1.679 177.995 176.600 -0.473 0.000 0.988 242 E CA 1.281 57.296 56.400 -0.641 0.000 0.811 242 E CB -1.116 27.994 29.700 -0.983 0.000 0.746 242 E HN 0.144 nan 8.360 nan 0.000 0.466 243 V N -1.242 118.345 119.914 -0.545 0.000 2.548 243 V HA -0.159 3.961 4.120 -0.000 0.000 0.249 243 V C 1.838 177.577 176.094 -0.592 0.000 1.055 243 V CA 1.510 63.473 62.300 -0.562 0.000 1.065 243 V CB -1.083 30.391 31.823 -0.582 0.000 0.681 243 V HN 0.200 nan 8.190 nan 0.000 0.462 244 Y N 0.368 120.491 120.300 -0.296 0.000 2.314 244 Y HA 0.181 4.731 4.550 -0.000 0.000 0.293 244 Y C 2.328 178.097 175.900 -0.219 0.000 1.129 244 Y CA 1.432 59.413 58.100 -0.199 0.000 1.201 244 Y CB -0.451 37.933 38.460 -0.127 0.000 0.999 244 Y HN 0.187 nan 8.280 nan 0.000 0.541 245 I N -0.557 119.932 120.570 -0.134 0.000 2.394 245 I HA -0.283 3.887 4.170 -0.000 0.000 0.251 245 I C 1.830 177.850 176.117 -0.162 0.000 1.136 245 I CA 1.222 62.445 61.300 -0.129 0.000 1.425 245 I CB -0.247 37.672 38.000 -0.135 0.000 1.079 245 I HN 0.204 nan 8.210 nan 0.000 0.425 246 L N -0.562 120.526 121.223 -0.225 0.000 2.291 246 L HA -0.126 4.214 4.340 -0.000 0.000 0.214 246 L C 2.202 178.956 176.870 -0.194 0.000 1.120 246 L CA 0.748 55.457 54.840 -0.217 0.000 0.799 246 L CB -0.079 41.809 42.059 -0.285 0.000 0.925 246 L HN 0.243 nan 8.230 nan 0.000 0.446 247 I N -1.182 119.231 120.570 -0.262 0.000 3.339 247 I HA -0.043 4.127 4.170 -0.000 0.000 0.285 247 I C 2.002 177.781 176.117 -0.563 0.000 1.201 247 I CA 0.799 61.873 61.300 -0.375 0.000 1.434 247 I CB 0.189 37.904 38.000 -0.476 0.000 1.152 247 I HN 0.001 nan 8.210 nan 0.000 0.443 248 L N 1.257 122.233 121.223 -0.412 0.000 2.013 248 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 248 L C -0.442 176.398 176.870 -0.050 0.000 1.073 248 L CA 1.895 56.589 54.840 -0.242 0.000 0.753 248 L CB -1.784 40.233 42.059 -0.070 0.000 0.890 248 L HN 0.187 nan 8.230 nan 0.000 0.432 249 P HA -0.110 nan 4.420 nan 0.000 0.220 249 P C 1.468 178.882 177.300 0.189 0.000 1.148 249 P CA 1.545 64.697 63.100 0.087 0.000 0.803 249 P CB -0.124 31.620 31.700 0.074 0.000 0.782 250 G N -1.472 107.353 108.800 0.041 0.000 2.402 250 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.216 250 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.216 250 G C 1.458 176.344 174.900 -0.024 0.000 1.162 250 G CA 0.172 45.255 45.100 -0.028 0.000 0.777 250 G HN 0.232 nan 8.290 nan 0.000 0.539 251 F N 1.292 121.215 119.950 -0.044 0.000 2.134 251 F HA -0.085 4.442 4.527 -0.000 0.000 0.299 251 F C 3.016 178.931 175.800 0.192 0.000 1.097 251 F CA 0.375 58.427 58.000 0.086 0.000 1.264 251 F CB -0.145 39.013 39.000 0.263 0.000 1.001 251 F HN 0.280 nan 8.300 nan 0.000 0.479 252 G N 0.253 109.326 108.800 0.455 0.000 2.446 252 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.217 252 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.217 252 G C 1.578 176.788 174.900 0.517 0.000 1.168 252 G CA 0.746 46.164 45.100 0.530 0.000 0.771 252 G HN 0.218 nan 8.290 nan 0.000 0.551 253 M N 0.071 119.853 119.600 0.304 0.000 2.175 253 M HA 0.036 4.516 4.480 -0.000 0.000 0.264 253 M C 2.459 178.765 176.300 0.010 0.000 1.063 253 M CA 0.826 56.177 55.300 0.085 0.000 1.119 253 M CB -0.285 32.247 32.600 -0.114 0.000 1.377 253 M HN 0.101 nan 8.290 nan 0.000 0.415 254 I N -0.009 120.447 120.570 -0.189 0.000 2.226 254 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 254 I C 2.450 178.390 176.117 -0.295 0.000 1.100 254 I CA 1.444 62.459 61.300 -0.475 0.000 1.374 254 I CB -1.285 36.047 38.000 -1.113 0.000 1.057 254 I HN 0.233 nan 8.210 nan 0.000 0.413 255 S N -0.469 115.266 115.700 0.058 0.000 2.370 255 S HA -0.200 4.270 4.470 -0.000 0.000 0.226 255 S C 1.893 176.645 174.600 0.253 0.000 1.033 255 S CA 1.116 59.528 58.200 0.352 0.000 1.011 255 S CB -0.410 63.128 63.200 0.564 0.000 0.852 255 S HN 0.510 nan 8.310 nan 0.000 0.457 256 H N 0.144 119.316 119.070 0.170 0.000 2.363 256 H HA 0.093 4.649 4.556 -0.000 0.000 0.301 256 H C 2.153 177.450 175.328 -0.051 0.000 1.074 256 H CA 1.268 57.409 56.048 0.154 0.000 1.354 256 H CB -0.122 29.816 29.762 0.295 0.000 1.397 256 H HN 0.346 nan 8.280 nan 0.000 0.516 257 I N 0.274 120.802 120.570 -0.069 0.000 2.252 257 I HA -0.219 3.951 4.170 -0.000 0.000 0.245 257 I C 2.515 178.632 176.117 -0.000 0.000 1.102 257 I CA 0.667 61.836 61.300 -0.218 0.000 1.385 257 I CB -0.133 37.715 38.000 -0.254 0.000 1.064 257 I HN 0.004 nan 8.210 nan 0.000 0.414 258 V N 0.479 120.376 119.914 -0.027 0.000 2.307 258 V HA -0.266 3.854 4.120 -0.000 0.000 0.245 258 V C 2.517 178.646 176.094 0.057 0.000 1.045 258 V CA 2.449 64.755 62.300 0.011 0.000 1.024 258 V CB -0.808 31.003 31.823 -0.020 0.000 0.651 258 V HN 0.464 nan 8.190 nan 0.000 0.449 259 T N -1.061 113.541 114.554 0.079 0.000 2.708 259 T HA -0.244 4.106 4.350 -0.000 0.000 0.266 259 T C 1.710 176.404 174.700 -0.009 0.000 1.037 259 T CA 2.169 64.308 62.100 0.064 0.000 1.146 259 T CB -0.385 68.530 68.868 0.077 0.000 0.865 259 T HN 0.540 nan 8.240 nan 0.000 0.435 260 Y N 0.818 121.020 120.300 -0.164 0.000 2.070 260 Y HA -0.226 4.324 4.550 -0.000 0.000 0.280 260 Y C 1.935 177.580 175.900 -0.425 0.000 1.148 260 Y CA 1.424 59.322 58.100 -0.336 0.000 1.125 260 Y CB -0.468 37.667 38.460 -0.542 0.000 0.975 260 Y HN 0.240 nan 8.280 nan 0.000 0.492 261 Y N -0.895 119.425 120.300 0.033 0.000 2.632 261 Y HA -0.040 4.510 4.550 -0.000 0.000 0.301 261 Y C 2.244 178.044 175.900 -0.167 0.000 1.172 261 Y CA 0.992 59.047 58.100 -0.076 0.000 1.328 261 Y CB -0.262 38.149 38.460 -0.082 0.000 1.016 261 Y HN 0.034 nan 8.280 nan 0.000 0.529 262 S N -0.922 114.743 115.700 -0.058 0.000 2.575 262 S HA 0.178 4.648 4.470 -0.000 0.000 0.215 262 S C 1.715 176.246 174.600 -0.115 0.000 0.966 262 S CA 0.568 58.721 58.200 -0.079 0.000 0.911 262 S CB -0.252 62.930 63.200 -0.030 0.000 0.780 262 S HN 0.661 nan 8.310 nan 0.000 0.514 263 G N 1.714 110.397 108.800 -0.197 0.000 2.225 263 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.267 263 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.267 263 G C -0.079 174.721 174.900 -0.166 0.000 1.024 263 G CA 0.322 45.284 45.100 -0.231 0.000 0.784 263 G HN 0.364 nan 8.290 nan 0.000 0.507 264 K N -0.249 120.071 120.400 -0.134 0.000 2.110 264 K HA 0.564 4.884 4.320 -0.000 0.000 0.263 264 K C 1.455 178.015 176.600 -0.065 0.000 0.975 264 K CA -0.359 55.889 56.287 -0.064 0.000 0.895 264 K CB 0.931 33.431 32.500 -0.001 0.000 1.060 264 K HN 0.267 nan 8.250 nan 0.000 0.448 265 K N 1.251 121.632 120.400 -0.032 0.000 2.400 265 K HA 0.037 4.357 4.320 -0.000 0.000 0.194 265 K C -0.381 176.229 176.600 0.016 0.000 1.033 265 K CA 0.509 56.785 56.287 -0.017 0.000 1.021 265 K CB 0.134 32.627 32.500 -0.013 0.000 0.808 265 K HN 0.633 nan 8.250 nan 0.000 0.505 266 E N 0.392 120.612 120.200 0.034 0.000 2.401 266 E HA 0.324 4.674 4.350 -0.000 0.000 0.280 266 E C -3.124 173.543 176.600 0.111 0.000 1.039 266 E CA -2.292 54.146 56.400 0.064 0.000 0.814 266 E CB 1.570 31.297 29.700 0.044 0.000 1.275 266 E HN -0.168 nan 8.360 nan 0.000 0.448 267 P HA 0.159 nan 4.420 nan 0.000 0.281 267 P C -0.718 176.726 177.300 0.239 0.000 1.249 267 P CA -0.473 62.763 63.100 0.226 0.000 0.810 267 P CB 0.583 32.437 31.700 0.257 0.000 1.008 268 F N 1.966 121.990 119.950 0.123 0.000 2.529 268 F HA 0.344 4.871 4.527 -0.000 0.000 0.365 268 F C 1.347 177.195 175.800 0.079 0.000 1.102 268 F CA 1.265 59.322 58.000 0.095 0.000 1.271 268 F CB -0.107 38.946 39.000 0.088 0.000 1.120 268 F HN 0.707 nan 8.300 nan 0.000 0.579 269 G N 6.043 114.502 108.800 -0.568 0.000 2.372 269 G HA2 -0.401 3.559 3.960 -0.000 0.000 0.297 269 G HA3 -0.401 3.559 3.960 -0.000 0.000 0.297 269 G C 0.356 175.237 174.900 -0.031 0.000 1.005 269 G CA 0.648 45.547 45.100 -0.334 0.000 1.173 269 G HN 1.062 nan 8.290 nan 0.000 0.511 270 Y N 0.588 120.837 120.300 -0.086 0.000 2.069 270 Y HA -0.291 4.259 4.550 -0.000 0.000 0.278 270 Y C 2.656 178.538 175.900 -0.030 0.000 1.175 270 Y CA 2.748 60.843 58.100 -0.009 0.000 1.134 270 Y CB -0.104 38.370 38.460 0.023 0.000 0.965 270 Y HN 0.410 nan 8.280 nan 0.000 0.498 271 M N -0.062 119.572 119.600 0.056 0.000 2.213 271 M HA -0.105 4.375 4.480 -0.000 0.000 0.263 271 M C 2.388 178.629 176.300 -0.099 0.000 1.062 271 M CA 1.426 56.684 55.300 -0.071 0.000 1.105 271 M CB -1.944 30.646 32.600 -0.017 0.000 1.385 271 M HN 0.513 nan 8.290 nan 0.000 0.417 272 G N -0.403 108.360 108.800 -0.062 0.000 2.421 272 G HA2 -0.152 3.808 3.960 -0.000 0.000 0.217 272 G HA3 -0.152 3.808 3.960 -0.000 0.000 0.217 272 G C 1.521 176.468 174.900 0.078 0.000 1.143 272 G CA 0.343 45.457 45.100 0.024 0.000 0.784 272 G HN 0.268 nan 8.290 nan 0.000 0.541 273 M N 0.520 120.075 119.600 -0.075 0.000 2.175 273 M HA 0.038 4.518 4.480 -0.000 0.000 0.264 273 M C 2.693 178.860 176.300 -0.222 0.000 1.063 273 M CA 0.659 55.877 55.300 -0.137 0.000 1.119 273 M CB -0.918 31.596 32.600 -0.144 0.000 1.377 273 M HN 0.107 nan 8.290 nan 0.000 0.415 274 V N -0.981 118.691 119.914 -0.402 0.000 2.270 274 V HA -0.256 3.864 4.120 -0.000 0.000 0.245 274 V C 2.094 177.974 176.094 -0.356 0.000 1.043 274 V CA 1.834 63.746 62.300 -0.646 0.000 1.014 274 V CB -0.869 30.373 31.823 -0.969 0.000 0.645 274 V HN 0.635 nan 8.190 nan 0.000 0.447 275 W N 1.337 122.442 121.300 -0.326 0.000 2.338 275 W HA -0.251 4.409 4.660 -0.000 0.000 0.304 275 W C 2.395 178.840 176.519 -0.124 0.000 1.212 275 W CA 2.315 59.544 57.345 -0.193 0.000 1.264 275 W CB -0.413 28.958 29.460 -0.148 0.000 1.142 275 W HN 0.189 nan 8.180 nan 0.000 0.512 276 A N 0.367 123.060 122.820 -0.212 0.000 1.902 276 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 276 A C 2.061 179.461 177.584 -0.307 0.000 1.181 276 A CA 2.090 53.874 52.037 -0.421 0.000 0.623 276 A CB -0.846 18.097 19.000 -0.094 0.000 0.818 276 A HN 0.446 nan 8.150 nan 0.000 0.443 277 M N -1.238 118.258 119.600 -0.173 0.000 2.254 277 M HA -0.064 4.416 4.480 -0.000 0.000 0.265 277 M C 2.280 178.534 176.300 -0.078 0.000 1.066 277 M CA 1.188 56.463 55.300 -0.042 0.000 1.123 277 M CB -0.379 32.235 32.600 0.023 0.000 1.388 277 M HN 0.430 nan 8.290 nan 0.000 0.425 278 M N -0.867 118.629 119.600 -0.174 0.000 2.156 278 M HA -0.111 4.369 4.480 -0.000 0.000 0.264 278 M C 2.235 178.456 176.300 -0.132 0.000 1.067 278 M CA 1.328 56.560 55.300 -0.113 0.000 1.131 278 M CB -0.567 31.954 32.600 -0.131 0.000 1.368 278 M HN 0.178 nan 8.290 nan 0.000 0.416 279 S N 1.196 116.682 115.700 -0.357 0.000 2.356 279 S HA -0.073 4.397 4.470 -0.000 0.000 0.223 279 S C 1.877 176.400 174.600 -0.128 0.000 1.032 279 S CA 1.157 59.169 58.200 -0.313 0.000 1.005 279 S CB -0.390 62.362 63.200 -0.747 0.000 0.867 279 S HN 0.349 nan 8.310 nan 0.000 0.449 280 I N 1.544 122.010 120.570 -0.172 0.000 2.163 280 I HA -0.174 3.996 4.170 -0.000 0.000 0.243 280 I C 2.703 178.713 176.117 -0.179 0.000 1.085 280 I CA 1.263 62.476 61.300 -0.146 0.000 1.347 280 I CB -0.834 37.160 38.000 -0.010 0.000 1.044 280 I HN 0.384 nan 8.210 nan 0.000 0.408 281 G N 0.398 109.172 108.800 -0.043 0.000 2.422 281 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.218 281 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.218 281 G C 1.563 176.558 174.900 0.158 0.000 1.146 281 G CA 0.628 45.750 45.100 0.037 0.000 0.769 281 G HN 0.350 nan 8.290 nan 0.000 0.547 282 F N 1.181 121.148 119.950 0.029 0.000 2.074 282 F HA 0.140 4.667 4.527 -0.000 0.000 0.293 282 F C 2.429 178.288 175.800 0.098 0.000 1.116 282 F CA 0.987 59.051 58.000 0.107 0.000 1.212 282 F CB -0.430 38.587 39.000 0.028 0.000 0.998 282 F HN 0.023 nan 8.300 nan 0.000 0.471 283 L N 0.362 121.491 121.223 -0.156 0.000 2.187 283 L HA -0.155 4.185 4.340 -0.000 0.000 0.213 283 L C 2.622 179.327 176.870 -0.274 0.000 1.100 283 L CA 1.189 55.860 54.840 -0.282 0.000 0.765 283 L CB -1.475 40.501 42.059 -0.139 0.000 0.904 283 L HN 0.405 nan 8.230 nan 0.000 0.437 284 G N -1.109 107.501 108.800 -0.317 0.000 2.559 284 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 284 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 284 G C 1.207 175.989 174.900 -0.197 0.000 1.126 284 G CA 0.187 45.106 45.100 -0.302 0.000 0.778 284 G HN 0.269 nan 8.290 nan 0.000 0.543 285 F N 0.148 120.006 119.950 -0.152 0.000 2.714 285 F HA 0.290 4.817 4.527 -0.000 0.000 0.294 285 F C 1.963 177.763 175.800 0.001 0.000 1.120 285 F CA -0.128 57.759 58.000 -0.188 0.000 1.398 285 F CB 0.377 39.258 39.000 -0.199 0.000 1.120 285 F HN 0.206 nan 8.300 nan 0.000 0.589 286 I N -1.621 119.049 120.570 0.166 0.000 3.816 286 I HA 0.255 4.425 4.170 -0.000 0.000 0.334 286 I C 0.380 176.645 176.117 0.246 0.000 1.551 286 I CA 0.045 61.522 61.300 0.295 0.000 1.153 286 I CB 0.090 38.137 38.000 0.078 0.000 1.197 286 I HN -0.086 nan 8.210 nan 0.000 0.439 287 V N -3.408 116.651 119.914 0.240 0.000 3.382 287 V HA 0.204 4.324 4.120 -0.000 0.000 0.296 287 V C 1.618 177.565 176.094 -0.244 0.000 1.529 287 V CA -0.214 62.140 62.300 0.090 0.000 1.048 287 V CB -0.896 30.844 31.823 -0.137 0.000 0.878 287 V HN 0.706 nan 8.190 nan 0.000 0.442 288 W N 2.368 123.612 121.300 -0.094 0.000 2.313 288 W HA -0.057 4.603 4.660 -0.000 0.000 0.293 288 W C 1.768 178.006 176.519 -0.469 0.000 1.216 288 W CA 1.982 59.210 57.345 -0.195 0.000 1.223 288 W CB -0.848 28.680 29.460 0.112 0.000 1.138 288 W HN 0.266 nan 8.180 nan 0.000 0.535 289 A N 1.668 123.495 122.820 -1.655 0.000 2.239 289 A HA -0.146 4.174 4.320 -0.000 0.000 0.209 289 A C 1.761 178.540 177.584 -1.342 0.000 1.171 289 A CA 1.116 52.219 52.037 -1.556 0.000 0.768 289 A CB -1.828 15.864 19.000 -2.181 0.000 0.790 289 A HN 0.806 nan 8.150 nan 0.000 0.478 290 H N -3.166 115.190 119.070 -1.189 0.000 2.563 290 H HA 0.042 4.598 4.556 -0.000 0.000 0.272 290 H C 0.731 175.267 175.328 -1.321 0.000 1.005 290 H CA 0.802 55.888 56.048 -1.604 0.000 1.171 290 H CB -0.249 28.974 29.762 -0.899 0.000 1.351 290 H HN 0.649 nan 8.280 nan 0.000 0.602 291 H N 0.354 119.001 119.070 -0.706 0.000 2.586 291 H HA 0.240 4.796 4.556 -0.000 0.000 0.273 291 H C 0.576 175.605 175.328 -0.497 0.000 0.997 291 H CA 0.175 55.807 56.048 -0.693 0.000 1.177 291 H CB 0.665 29.473 29.762 -1.590 0.000 1.471 291 H HN 0.451 nan 8.280 nan 0.000 0.538 292 M N -0.289 119.027 119.600 -0.473 0.000 2.747 292 M HA 0.116 4.596 4.480 -0.000 0.000 0.402 292 M C 0.149 176.316 176.300 -0.222 0.000 1.238 292 M CA -0.205 54.919 55.300 -0.293 0.000 0.877 292 M CB 0.534 32.984 32.600 -0.250 0.000 1.424 292 M HN -0.090 nan 8.290 nan 0.000 0.511 293 F N 0.959 120.738 119.950 -0.284 0.000 2.494 293 F HA -0.078 4.449 4.527 -0.000 0.000 0.298 293 F C 2.515 178.196 175.800 -0.198 0.000 1.106 293 F CA 1.461 59.332 58.000 -0.215 0.000 1.452 293 F CB -0.708 38.185 39.000 -0.178 0.000 1.085 293 F HN 0.286 nan 8.300 nan 0.000 0.569 294 T N -4.021 110.467 114.554 -0.110 0.000 3.054 294 T HA 0.117 4.467 4.350 -0.000 0.000 0.255 294 T C 1.672 176.348 174.700 -0.039 0.000 1.035 294 T CA 0.690 62.738 62.100 -0.087 0.000 0.941 294 T CB -0.680 68.110 68.868 -0.130 0.000 1.026 294 T HN 0.087 nan 8.240 nan 0.000 0.533 295 V N -0.809 119.081 119.914 -0.041 0.000 3.141 295 V HA 0.476 4.596 4.120 -0.000 0.000 0.265 295 V C 1.400 177.507 176.094 0.022 0.000 1.126 295 V CA 0.533 62.830 62.300 -0.005 0.000 1.141 295 V CB -1.446 30.361 31.823 -0.026 0.000 0.743 295 V HN 0.908 nan 8.190 nan 0.000 0.492 296 G N 0.231 109.049 108.800 0.029 0.000 2.842 296 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.242 296 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.242 296 G C -0.513 174.423 174.900 0.060 0.000 1.135 296 G CA 0.090 45.215 45.100 0.042 0.000 1.048 296 G HN 0.487 nan 8.290 nan 0.000 0.530 297 M N 0.383 120.027 119.600 0.072 0.000 2.528 297 M HA 0.377 4.857 4.480 -0.000 0.000 0.318 297 M C 0.091 176.444 176.300 0.088 0.000 1.195 297 M CA -0.952 54.407 55.300 0.098 0.000 1.000 297 M CB 0.800 33.477 32.600 0.129 0.000 1.615 297 M HN 0.166 nan 8.290 nan 0.000 0.469 298 D N 1.099 121.556 120.400 0.095 0.000 2.478 298 D HA -0.067 4.573 4.640 -0.000 0.000 0.234 298 D C 0.877 177.222 176.300 0.076 0.000 1.154 298 D CA 0.118 54.164 54.000 0.077 0.000 0.874 298 D CB 0.880 41.727 40.800 0.078 0.000 1.198 298 D HN 0.356 nan 8.370 nan 0.000 0.455 299 V N 2.076 122.019 119.914 0.048 0.000 2.407 299 V HA -0.238 3.882 4.120 -0.000 0.000 0.248 299 V C 1.315 177.438 176.094 0.048 0.000 1.055 299 V CA 1.860 64.178 62.300 0.030 0.000 1.049 299 V CB -0.099 31.729 31.823 0.008 0.000 0.662 299 V HN 0.415 nan 8.190 nan 0.000 0.455 300 D N -0.420 120.015 120.400 0.059 0.000 2.117 300 D HA -0.134 4.506 4.640 -0.000 0.000 0.197 300 D C 2.266 178.639 176.300 0.122 0.000 0.987 300 D CA 1.942 55.984 54.000 0.069 0.000 0.829 300 D CB -0.487 40.344 40.800 0.052 0.000 0.961 300 D HN 0.448 nan 8.370 nan 0.000 0.460 301 T N 0.577 115.223 114.554 0.154 0.000 2.746 301 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 301 T C 1.972 176.911 174.700 0.399 0.000 1.039 301 T CA 0.930 63.191 62.100 0.268 0.000 1.142 301 T CB -0.020 69.011 68.868 0.272 0.000 0.866 301 T HN 0.141 nan 8.240 nan 0.000 0.444 302 R N 0.690 121.356 120.500 0.276 0.000 2.148 302 R HA 0.093 4.433 4.340 -0.000 0.000 0.227 302 R C 2.696 179.070 176.300 0.124 0.000 1.103 302 R CA 1.038 57.288 56.100 0.249 0.000 0.983 302 R CB -0.294 30.015 30.300 0.016 0.000 0.874 302 R HN 0.342 nan 8.270 nan 0.000 0.451 303 A N 0.323 123.194 122.820 0.084 0.000 1.929 303 A HA -0.188 4.132 4.320 -0.000 0.000 0.216 303 A C 1.921 179.527 177.584 0.037 0.000 1.176 303 A CA 0.923 52.977 52.037 0.027 0.000 0.628 303 A CB -0.546 18.470 19.000 0.026 0.000 0.816 303 A HN 0.451 nan 8.150 nan 0.000 0.444 304 Y N -0.552 119.742 120.300 -0.011 0.000 2.133 304 Y HA -0.163 4.387 4.550 -0.000 0.000 0.287 304 Y C 1.822 177.636 175.900 -0.143 0.000 1.134 304 Y CA 1.754 59.781 58.100 -0.122 0.000 1.133 304 Y CB -0.599 37.716 38.460 -0.242 0.000 0.987 304 Y HN 0.223 nan 8.280 nan 0.000 0.502 305 F N 0.308 120.121 119.950 -0.228 0.000 2.333 305 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 305 F C 2.445 178.205 175.800 -0.068 0.000 1.083 305 F CA 1.855 59.699 58.000 -0.261 0.000 1.395 305 F CB -0.862 38.117 39.000 -0.034 0.000 1.056 305 F HN 0.049 nan 8.300 nan 0.000 0.529 306 T N -1.299 113.358 114.554 0.172 0.000 2.812 306 T HA -0.126 4.224 4.350 -0.000 0.000 0.264 306 T C 2.275 176.952 174.700 -0.039 0.000 1.042 306 T CA 1.610 63.772 62.100 0.104 0.000 1.140 306 T CB -0.253 68.594 68.868 -0.034 0.000 0.870 306 T HN 0.165 nan 8.240 nan 0.000 0.445 307 S N 1.582 117.202 115.700 -0.133 0.000 2.345 307 S HA -0.000 4.470 4.470 -0.000 0.000 0.220 307 S C 2.590 177.071 174.600 -0.198 0.000 1.031 307 S CA 0.992 59.103 58.200 -0.148 0.000 0.996 307 S CB -0.623 62.493 63.200 -0.139 0.000 0.882 307 S HN 0.560 nan 8.310 nan 0.000 0.445 308 A N 1.314 123.888 122.820 -0.410 0.000 1.940 308 A HA -0.123 4.197 4.320 -0.000 0.000 0.219 308 A C 2.298 179.770 177.584 -0.187 0.000 1.176 308 A CA 2.059 53.874 52.037 -0.370 0.000 0.631 308 A CB -1.316 17.253 19.000 -0.719 0.000 0.814 308 A HN 0.482 nan 8.150 nan 0.000 0.446 309 T N 0.074 114.555 114.554 -0.122 0.000 2.746 309 T HA -0.124 4.226 4.350 -0.000 0.000 0.267 309 T C 1.928 176.609 174.700 -0.030 0.000 1.039 309 T CA 1.688 63.776 62.100 -0.020 0.000 1.142 309 T CB -0.299 68.614 68.868 0.075 0.000 0.866 309 T HN 0.457 nan 8.240 nan 0.000 0.444 310 M N 0.314 119.892 119.600 -0.036 0.000 2.159 310 M HA 0.025 4.505 4.480 -0.000 0.000 0.263 310 M C 2.207 178.508 176.300 0.002 0.000 1.063 310 M CA 1.379 56.668 55.300 -0.018 0.000 1.110 310 M CB -0.625 31.962 32.600 -0.022 0.000 1.374 310 M HN 0.217 nan 8.290 nan 0.000 0.411 311 I N 0.647 121.213 120.570 -0.008 0.000 2.423 311 I HA -0.306 3.864 4.170 -0.000 0.000 0.254 311 I C 2.116 178.253 176.117 0.033 0.000 1.151 311 I CA 1.220 62.531 61.300 0.018 0.000 1.421 311 I CB -0.348 37.658 38.000 0.011 0.000 1.079 311 I HN 0.291 nan 8.210 nan 0.000 0.431 312 I N 0.732 121.313 120.570 0.017 0.000 2.657 312 I HA -0.269 3.901 4.170 -0.000 0.000 0.261 312 I C 2.659 178.829 176.117 0.088 0.000 1.212 312 I CA 0.942 62.261 61.300 0.032 0.000 1.453 312 I CB -0.509 37.510 38.000 0.031 0.000 1.092 312 I HN 0.208 nan 8.210 nan 0.000 0.452 313 A N 1.208 124.080 122.820 0.086 0.000 1.969 313 A HA -0.113 4.207 4.320 -0.000 0.000 0.218 313 A C 2.253 179.906 177.584 0.116 0.000 1.169 313 A CA 1.060 53.159 52.037 0.102 0.000 0.635 313 A CB -0.466 18.579 19.000 0.075 0.000 0.810 313 A HN 0.350 nan 8.150 nan 0.000 0.445 314 I N 0.553 121.195 120.570 0.119 0.000 2.072 314 I HA -0.163 4.007 4.170 -0.000 0.000 0.235 314 I C -0.253 175.981 176.117 0.194 0.000 1.058 314 I CA 1.643 63.043 61.300 0.166 0.000 1.320 314 I CB -1.432 36.679 38.000 0.186 0.000 1.047 314 I HN 0.226 nan 8.210 nan 0.000 0.397 315 P HA -0.140 nan 4.420 nan 0.000 0.218 315 P C 1.521 178.842 177.300 0.035 0.000 1.148 315 P CA 1.744 64.859 63.100 0.026 0.000 0.822 315 P CB -0.314 31.189 31.700 -0.328 0.000 0.784 316 T N -0.575 114.022 114.554 0.071 0.000 2.867 316 T HA -0.040 4.310 4.350 -0.000 0.000 0.268 316 T C 2.153 176.851 174.700 -0.004 0.000 1.057 316 T CA 1.595 63.745 62.100 0.083 0.000 1.136 316 T CB -1.038 67.990 68.868 0.268 0.000 0.874 316 T HN 0.205 nan 8.240 nan 0.000 0.466 317 G N 1.242 110.075 108.800 0.055 0.000 2.418 317 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.217 317 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.217 317 G C 1.685 176.620 174.900 0.058 0.000 1.158 317 G CA 0.696 45.819 45.100 0.038 0.000 0.771 317 G HN 0.421 nan 8.290 nan 0.000 0.545 318 V N 0.906 120.898 119.914 0.131 0.000 2.324 318 V HA -0.232 3.888 4.120 -0.000 0.000 0.250 318 V C 2.832 178.870 176.094 -0.094 0.000 1.060 318 V CA 2.313 64.692 62.300 0.131 0.000 1.042 318 V CB -0.399 31.575 31.823 0.252 0.000 0.650 318 V HN 0.388 nan 8.190 nan 0.000 0.450 319 K N -0.481 119.728 120.400 -0.319 0.000 2.025 319 K HA -0.111 4.209 4.320 -0.000 0.000 0.207 319 K C 2.110 178.011 176.600 -1.164 0.000 1.049 319 K CA 1.359 57.141 56.287 -0.842 0.000 0.933 319 K CB -0.456 31.410 32.500 -1.056 0.000 0.714 319 K HN 0.339 nan 8.250 nan 0.000 0.438 320 V N 1.138 120.629 119.914 -0.706 0.000 2.255 320 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 320 V C 2.040 177.980 176.094 -0.258 0.000 1.051 320 V CA 1.839 63.921 62.300 -0.364 0.000 1.018 320 V CB -0.548 31.047 31.823 -0.380 0.000 0.641 320 V HN 0.208 nan 8.190 nan 0.000 0.445 321 F N 0.046 119.945 119.950 -0.084 0.000 2.293 321 F HA -0.128 4.399 4.527 -0.000 0.000 0.300 321 F C 2.605 178.316 175.800 -0.148 0.000 1.086 321 F CA 1.221 59.175 58.000 -0.077 0.000 1.375 321 F CB -0.324 38.633 39.000 -0.071 0.000 1.045 321 F HN 0.057 nan 8.300 nan 0.000 0.516 322 S N -1.042 114.626 115.700 -0.054 0.000 2.406 322 S HA -0.140 4.330 4.470 -0.000 0.000 0.228 322 S C 1.673 176.293 174.600 0.034 0.000 1.020 322 S CA 0.654 58.836 58.200 -0.031 0.000 0.965 322 S CB -0.277 62.926 63.200 0.005 0.000 0.798 322 S HN 0.407 nan 8.310 nan 0.000 0.488 323 W N 1.784 123.126 121.300 0.069 0.000 2.436 323 W HA 0.161 4.821 4.660 -0.000 0.000 0.284 323 W C 1.800 178.350 176.519 0.051 0.000 1.225 323 W CA 0.145 57.529 57.345 0.065 0.000 1.271 323 W CB -1.092 28.402 29.460 0.056 0.000 1.114 323 W HN 0.313 nan 8.180 nan 0.000 0.559 324 L N 0.100 121.474 121.223 0.252 0.000 2.056 324 L HA -0.117 4.223 4.340 -0.000 0.000 0.207 324 L C 2.594 179.501 176.870 0.062 0.000 1.078 324 L CA 1.413 56.349 54.840 0.161 0.000 0.749 324 L CB -1.356 40.806 42.059 0.172 0.000 0.901 324 L HN -0.168 nan 8.230 nan 0.000 0.433 325 A N -0.539 122.233 122.820 -0.079 0.000 2.067 325 A HA -0.137 4.183 4.320 -0.000 0.000 0.219 325 A C 2.292 179.876 177.584 0.001 0.000 1.158 325 A CA 1.930 53.796 52.037 -0.285 0.000 0.661 325 A CB -0.650 17.660 19.000 -1.151 0.000 0.801 325 A HN 0.381 nan 8.150 nan 0.000 0.452 326 T N 0.054 114.689 114.554 0.136 0.000 2.942 326 T HA 0.061 4.411 4.350 -0.000 0.000 0.265 326 T C 1.710 176.495 174.700 0.142 0.000 1.062 326 T CA 0.957 63.182 62.100 0.209 0.000 1.139 326 T CB -0.224 68.802 68.868 0.264 0.000 0.883 326 T HN 0.377 nan 8.240 nan 0.000 0.468 327 L N 0.175 121.473 121.223 0.126 0.000 2.156 327 L HA 0.034 4.374 4.340 -0.000 0.000 0.208 327 L C 1.250 178.172 176.870 0.087 0.000 1.095 327 L CA 0.447 55.331 54.840 0.073 0.000 0.770 327 L CB -0.580 41.519 42.059 0.067 0.000 0.914 327 L HN 0.303 nan 8.230 nan 0.000 0.439 328 H N 0.748 119.822 119.070 0.006 0.000 3.145 328 H HA 0.170 4.726 4.556 -0.000 0.000 0.288 328 H C 1.107 176.442 175.328 0.011 0.000 0.969 328 H CA 0.331 56.379 56.048 -0.000 0.000 1.444 328 H CB 0.109 29.856 29.762 -0.025 0.000 1.500 328 H HN 0.306 nan 8.280 nan 0.000 0.552 329 G N 3.066 111.673 108.800 -0.321 0.000 2.148 329 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.254 329 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.254 329 G C 0.679 175.503 174.900 -0.127 0.000 0.981 329 G CA 0.330 45.252 45.100 -0.296 0.000 0.670 329 G HN 1.024 nan 8.290 nan 0.000 0.528 330 G N -0.556 108.198 108.800 -0.077 0.000 2.537 330 G HA2 0.452 4.412 3.960 -0.000 0.000 0.273 330 G HA3 0.452 4.412 3.960 -0.000 0.000 0.273 330 G C 0.006 174.866 174.900 -0.067 0.000 1.189 330 G CA 0.073 45.134 45.100 -0.064 0.000 0.881 330 G HN 0.542 nan 8.290 nan 0.000 0.535 331 N N 0.911 119.569 118.700 -0.071 0.000 2.602 331 N HA 0.074 4.814 4.740 -0.000 0.000 0.238 331 N C 0.251 175.713 175.510 -0.080 0.000 1.084 331 N CA -0.684 52.331 53.050 -0.057 0.000 0.952 331 N CB -0.023 38.431 38.487 -0.056 0.000 1.244 331 N HN 0.131 nan 8.380 nan 0.000 0.512 332 I N 1.654 122.161 120.570 -0.104 0.000 2.662 332 I HA -0.021 4.149 4.170 -0.000 0.000 0.285 332 I C 0.821 176.816 176.117 -0.204 0.000 1.161 332 I CA 0.068 61.224 61.300 -0.239 0.000 1.415 332 I CB -0.353 37.374 38.000 -0.455 0.000 1.385 332 I HN 0.410 nan 8.210 nan 0.000 0.552 333 K N 7.175 127.481 120.400 -0.157 0.000 2.281 333 K HA 0.203 4.523 4.320 -0.000 0.000 0.272 333 K C -0.896 175.644 176.600 -0.100 0.000 1.048 333 K CA -0.273 56.016 56.287 0.003 0.000 0.898 333 K CB 0.172 32.779 32.500 0.178 0.000 1.128 333 K HN 0.358 nan 8.250 nan 0.000 0.460 334 W N 4.691 125.966 121.300 -0.041 0.000 1.435 334 W HA 0.104 4.764 4.660 -0.000 0.000 0.471 334 W C 0.270 176.685 176.519 -0.173 0.000 0.590 334 W CA -0.455 56.821 57.345 -0.115 0.000 2.419 334 W CB -0.483 28.918 29.460 -0.099 0.000 1.251 334 W HN 0.527 nan 8.180 nan 0.000 0.338 335 S N -0.416 115.204 115.700 -0.134 0.000 2.632 335 S HA 0.314 4.784 4.470 -0.000 0.000 0.267 335 S C -1.523 172.898 174.600 -0.299 0.000 1.276 335 S CA -1.178 56.877 58.200 -0.243 0.000 0.998 335 S CB 1.557 64.427 63.200 -0.550 0.000 0.953 335 S HN -0.039 nan 8.310 nan 0.000 0.547 336 P HA -0.073 nan 4.420 nan 0.000 0.215 336 P C 1.609 178.814 177.300 -0.158 0.000 1.153 336 P CA 1.988 64.990 63.100 -0.163 0.000 0.853 336 P CB -0.250 31.481 31.700 0.050 0.000 0.788 337 A N -0.906 121.804 122.820 -0.183 0.000 1.902 337 A HA -0.225 4.095 4.320 -0.000 0.000 0.217 337 A C 2.233 179.649 177.584 -0.280 0.000 1.181 337 A CA 2.214 54.165 52.037 -0.143 0.000 0.623 337 A CB -1.495 17.350 19.000 -0.259 0.000 0.818 337 A HN 0.121 nan 8.150 nan 0.000 0.443 338 M N -0.563 118.692 119.600 -0.575 0.000 2.159 338 M HA -0.066 4.414 4.480 -0.000 0.000 0.263 338 M C 2.041 178.156 176.300 -0.308 0.000 1.063 338 M CA 1.751 56.809 55.300 -0.402 0.000 1.110 338 M CB -0.618 31.710 32.600 -0.453 0.000 1.374 338 M HN 0.429 nan 8.290 nan 0.000 0.411 339 M N -1.787 117.545 119.600 -0.448 0.000 2.086 339 M HA -0.230 4.250 4.480 -0.000 0.000 0.261 339 M C 1.916 177.794 176.300 -0.704 0.000 1.067 339 M CA 2.016 56.867 55.300 -0.749 0.000 1.116 339 M CB -0.645 31.146 32.600 -1.347 0.000 1.348 339 M HN 0.391 nan 8.290 nan 0.000 0.407 340 W N -0.041 120.984 121.300 -0.459 0.000 2.363 340 W HA -0.130 4.530 4.660 -0.000 0.000 0.296 340 W C 2.642 179.270 176.519 0.182 0.000 1.212 340 W CA 1.099 58.407 57.345 -0.060 0.000 1.260 340 W CB -0.435 28.997 29.460 -0.046 0.000 1.131 340 W HN 0.225 nan 8.180 nan 0.000 0.530 341 A N -0.213 122.746 122.820 0.231 0.000 1.968 341 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 341 A C 1.896 179.612 177.584 0.221 0.000 1.169 341 A CA 1.075 53.204 52.037 0.153 0.000 0.638 341 A CB -0.777 18.188 19.000 -0.060 0.000 0.812 341 A HN 0.294 nan 8.150 nan 0.000 0.446 342 L N -0.911 120.412 121.223 0.167 0.000 2.072 342 L HA -0.032 4.308 4.340 -0.000 0.000 0.205 342 L C 2.817 179.931 176.870 0.406 0.000 1.079 342 L CA 0.978 55.941 54.840 0.205 0.000 0.752 342 L CB -0.734 41.378 42.059 0.088 0.000 0.906 342 L HN 0.454 nan 8.230 nan 0.000 0.436 343 G N -0.282 108.858 108.800 0.566 0.000 2.422 343 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.218 343 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.218 343 G C 1.493 176.846 174.900 0.754 0.000 1.146 343 G CA 0.543 46.167 45.100 0.875 0.000 0.769 343 G HN 0.274 nan 8.290 nan 0.000 0.547 344 F N 1.525 121.852 119.950 0.628 0.000 2.075 344 F HA -0.043 4.484 4.527 -0.000 0.000 0.297 344 F C 2.516 178.501 175.800 0.308 0.000 1.113 344 F CA 1.365 59.604 58.000 0.399 0.000 1.218 344 F CB -0.267 38.911 39.000 0.297 0.000 0.984 344 F HN 0.102 nan 8.300 nan 0.000 0.472 345 I N -0.739 120.160 120.570 0.548 0.000 2.194 345 I HA -0.329 3.841 4.170 -0.000 0.000 0.246 345 I C 2.316 178.666 176.117 0.389 0.000 1.093 345 I CA 1.599 63.175 61.300 0.460 0.000 1.355 345 I CB -0.657 37.583 38.000 0.401 0.000 1.046 345 I HN 0.235 nan 8.210 nan 0.000 0.413 346 F N 1.507 121.596 119.950 0.232 0.000 2.074 346 F HA -0.089 4.438 4.527 -0.000 0.000 0.293 346 F C 2.221 178.099 175.800 0.129 0.000 1.116 346 F CA 1.485 59.596 58.000 0.185 0.000 1.212 346 F CB -0.504 38.628 39.000 0.220 0.000 0.998 346 F HN -0.169 nan 8.300 nan 0.000 0.471 347 L N -0.861 120.329 121.223 -0.055 0.000 2.079 347 L HA -0.229 4.111 4.340 -0.000 0.000 0.210 347 L C 2.489 179.231 176.870 -0.214 0.000 1.081 347 L CA 1.618 56.324 54.840 -0.225 0.000 0.752 347 L CB -0.980 40.904 42.059 -0.292 0.000 0.896 347 L HN 0.242 nan 8.230 nan 0.000 0.433 348 F N 0.820 120.546 119.950 -0.372 0.000 2.146 348 F HA -0.209 4.318 4.527 -0.000 0.000 0.298 348 F C 2.471 178.173 175.800 -0.163 0.000 1.096 348 F CA 1.865 59.646 58.000 -0.366 0.000 1.275 348 F CB -0.298 38.310 39.000 -0.654 0.000 1.008 348 F HN -0.093 nan 8.300 nan 0.000 0.480 349 T N 0.305 114.774 114.554 -0.143 0.000 2.720 349 T HA -0.189 4.161 4.350 -0.000 0.000 0.268 349 T C 2.139 176.659 174.700 -0.300 0.000 1.037 349 T CA 1.692 63.690 62.100 -0.170 0.000 1.144 349 T CB -0.662 68.198 68.868 -0.014 0.000 0.864 349 T HN 0.136 nan 8.240 nan 0.000 0.444 350 V N 1.365 121.053 119.914 -0.378 0.000 2.255 350 V HA -0.145 3.975 4.120 -0.000 0.000 0.247 350 V C 2.887 178.760 176.094 -0.368 0.000 1.051 350 V CA 2.122 64.180 62.300 -0.404 0.000 1.018 350 V CB -1.372 30.134 31.823 -0.529 0.000 0.641 350 V HN 0.604 nan 8.190 nan 0.000 0.445 351 G N -0.370 108.227 108.800 -0.339 0.000 2.432 351 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.219 351 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.219 351 G C 1.577 176.344 174.900 -0.222 0.000 1.135 351 G CA 0.956 45.902 45.100 -0.257 0.000 0.767 351 G HN 0.607 nan 8.290 nan 0.000 0.550 352 G N 0.772 109.295 108.800 -0.462 0.000 2.394 352 G HA2 -0.086 3.874 3.960 -0.000 0.000 0.215 352 G HA3 -0.086 3.874 3.960 -0.000 0.000 0.215 352 G C 1.784 176.585 174.900 -0.165 0.000 1.165 352 G CA 0.551 45.434 45.100 -0.362 0.000 0.784 352 G HN 0.413 nan 8.290 nan 0.000 0.535 353 L N 1.234 122.353 121.223 -0.173 0.000 2.083 353 L HA -0.081 4.259 4.340 -0.000 0.000 0.209 353 L C 3.302 180.118 176.870 -0.091 0.000 1.083 353 L CA 1.731 56.506 54.840 -0.109 0.000 0.752 353 L CB -0.642 41.355 42.059 -0.104 0.000 0.899 353 L HN 0.409 nan 8.230 nan 0.000 0.433 354 T N -3.817 110.673 114.554 -0.107 0.000 2.995 354 T HA -0.052 4.298 4.350 -0.000 0.000 0.269 354 T C 1.884 176.506 174.700 -0.131 0.000 1.091 354 T CA 0.789 62.855 62.100 -0.056 0.000 1.128 354 T CB -0.609 68.160 68.868 -0.164 0.000 0.891 354 T HN 0.385 nan 8.240 nan 0.000 0.492 355 G N 1.694 110.357 108.800 -0.229 0.000 2.408 355 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.217 355 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.217 355 G C 1.456 176.182 174.900 -0.290 0.000 1.150 355 G CA 0.397 45.163 45.100 -0.556 0.000 0.776 355 G HN 0.450 nan 8.290 nan 0.000 0.542 356 I N 0.918 121.401 120.570 -0.146 0.000 2.394 356 I HA -0.071 4.099 4.170 -0.000 0.000 0.251 356 I C 2.824 178.893 176.117 -0.080 0.000 1.136 356 I CA 0.621 61.865 61.300 -0.092 0.000 1.425 356 I CB -0.619 37.353 38.000 -0.048 0.000 1.079 356 I HN 0.028 nan 8.210 nan 0.000 0.425 357 V N 1.009 120.886 119.914 -0.061 0.000 2.307 357 V HA -0.239 3.881 4.120 -0.000 0.000 0.245 357 V C 2.517 178.564 176.094 -0.078 0.000 1.045 357 V CA 1.394 63.666 62.300 -0.046 0.000 1.024 357 V CB -0.467 31.371 31.823 0.025 0.000 0.651 357 V HN 0.313 nan 8.190 nan 0.000 0.449 358 L N 0.207 121.379 121.223 -0.085 0.000 2.265 358 L HA -0.134 4.206 4.340 -0.000 0.000 0.215 358 L C 2.557 179.387 176.870 -0.066 0.000 1.117 358 L CA 1.201 55.982 54.840 -0.099 0.000 0.782 358 L CB -0.667 41.284 42.059 -0.180 0.000 0.914 358 L HN 0.367 nan 8.230 nan 0.000 0.441 359 A N -0.599 122.166 122.820 -0.092 0.000 2.067 359 A HA -0.089 4.231 4.320 -0.000 0.000 0.219 359 A C 0.913 178.542 177.584 0.075 0.000 1.158 359 A CA 0.647 52.685 52.037 0.002 0.000 0.661 359 A CB -0.473 18.493 19.000 -0.058 0.000 0.801 359 A HN 0.410 nan 8.150 nan 0.000 0.452 360 N N 1.340 120.015 118.700 -0.042 0.000 2.402 360 N HA 0.084 4.824 4.740 -0.000 0.000 0.259 360 N C 1.180 176.529 175.510 -0.267 0.000 1.167 360 N CA 0.681 53.651 53.050 -0.133 0.000 0.949 360 N CB 1.119 39.536 38.487 -0.116 0.000 1.212 360 N HN 0.506 nan 8.380 nan 0.000 0.493 361 S N 1.580 116.903 115.700 -0.628 0.000 2.392 361 S HA -0.224 4.246 4.470 -0.000 0.000 0.232 361 S C 1.894 176.219 174.600 -0.458 0.000 1.041 361 S CA 1.276 58.844 58.200 -1.052 0.000 1.026 361 S CB -0.198 62.071 63.200 -1.552 0.000 0.845 361 S HN 0.444 nan 8.310 nan 0.000 0.465 362 S N 2.135 117.649 115.700 -0.310 0.000 2.359 362 S HA 0.018 4.488 4.470 -0.000 0.000 0.222 362 S C 1.835 176.348 174.600 -0.145 0.000 1.038 362 S CA 1.566 59.653 58.200 -0.187 0.000 1.051 362 S CB -0.641 62.473 63.200 -0.143 0.000 0.944 362 S HN 0.446 nan 8.310 nan 0.000 0.433 363 L N 0.936 122.073 121.223 -0.143 0.000 2.156 363 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 363 L C 2.250 179.055 176.870 -0.109 0.000 1.095 363 L CA 1.210 55.974 54.840 -0.127 0.000 0.770 363 L CB -0.462 41.509 42.059 -0.146 0.000 0.914 363 L HN 0.300 nan 8.230 nan 0.000 0.439 364 D N 0.105 120.450 120.400 -0.091 0.000 2.221 364 D HA -0.213 4.427 4.640 -0.000 0.000 0.204 364 D C 2.128 178.453 176.300 0.041 0.000 0.982 364 D CA 0.862 54.865 54.000 0.004 0.000 0.857 364 D CB 0.202 41.085 40.800 0.138 0.000 0.934 364 D HN 0.100 nan 8.370 nan 0.000 0.475 365 I N 0.274 120.835 120.570 -0.016 0.000 2.151 365 I HA -0.228 3.942 4.170 -0.000 0.000 0.243 365 I C 2.306 178.445 176.117 0.037 0.000 1.080 365 I CA 0.911 62.216 61.300 0.010 0.000 1.339 365 I CB -1.220 36.764 38.000 -0.027 0.000 1.039 365 I HN 0.077 nan 8.210 nan 0.000 0.409 366 V N 0.369 120.281 119.914 -0.003 0.000 2.649 366 V HA -0.106 4.014 4.120 -0.000 0.000 0.248 366 V C 2.404 178.493 176.094 -0.009 0.000 1.054 366 V CA 0.921 63.218 62.300 -0.006 0.000 1.073 366 V CB -0.384 31.417 31.823 -0.037 0.000 0.699 366 V HN 0.301 nan 8.190 nan 0.000 0.463 367 L N -0.971 120.233 121.223 -0.032 0.000 2.270 367 L HA 0.116 4.456 4.340 -0.000 0.000 0.210 367 L C 1.395 178.292 176.870 0.045 0.000 1.104 367 L CA 0.181 54.996 54.840 -0.042 0.000 0.804 367 L CB -0.506 41.455 42.059 -0.163 0.000 0.937 367 L HN 0.387 nan 8.230 nan 0.000 0.450 368 H N 1.153 120.227 119.070 0.007 0.000 3.038 368 H HA -0.130 4.426 4.556 -0.000 0.000 0.338 368 H C 0.452 175.801 175.328 0.035 0.000 1.041 368 H CA 0.655 56.722 56.048 0.033 0.000 1.394 368 H CB 0.166 29.956 29.762 0.047 0.000 1.357 368 H HN 0.118 nan 8.280 nan 0.000 0.600 369 D N 1.989 121.946 120.400 -0.738 0.000 2.811 369 D HA -0.208 4.432 4.640 -0.000 0.000 0.231 369 D C -0.374 175.810 176.300 -0.193 0.000 1.157 369 D CA 1.454 55.181 54.000 -0.456 0.000 0.716 369 D CB -0.839 39.748 40.800 -0.355 0.000 1.077 369 D HN 0.747 nan 8.370 nan 0.000 0.428 370 T N -4.394 110.086 114.554 -0.124 0.000 2.888 370 T HA 0.421 4.771 4.350 -0.000 0.000 0.288 370 T C 0.962 175.639 174.700 -0.038 0.000 1.063 370 T CA -0.771 61.303 62.100 -0.044 0.000 1.010 370 T CB 0.854 69.729 68.868 0.012 0.000 1.214 370 T HN -0.041 nan 8.240 nan 0.000 0.533 371 Y N -0.598 119.637 120.300 -0.107 0.000 2.680 371 Y HA 0.030 4.580 4.550 -0.000 0.000 0.303 371 Y C 1.913 177.729 175.900 -0.140 0.000 1.166 371 Y CA 0.599 58.622 58.100 -0.129 0.000 1.344 371 Y CB -0.386 37.977 38.460 -0.162 0.000 1.002 371 Y HN 0.808 nan 8.280 nan 0.000 0.537 372 Y N -0.951 119.297 120.300 -0.086 0.000 2.242 372 Y HA -0.224 4.326 4.550 -0.000 0.000 0.291 372 Y C 2.124 177.925 175.900 -0.164 0.000 1.137 372 Y CA 1.329 59.352 58.100 -0.128 0.000 1.181 372 Y CB -0.221 38.197 38.460 -0.071 0.000 0.989 372 Y HN -0.098 nan 8.280 nan 0.000 0.527 373 V N -1.222 118.700 119.914 0.013 0.000 2.358 373 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 373 V C 2.240 178.156 176.094 -0.298 0.000 1.047 373 V CA 1.654 63.963 62.300 0.016 0.000 1.035 373 V CB -0.814 31.067 31.823 0.097 0.000 0.658 373 V HN 0.287 nan 8.190 nan 0.000 0.452 374 V N 0.501 120.082 119.914 -0.554 0.000 2.407 374 V HA -0.259 3.861 4.120 -0.000 0.000 0.248 374 V C 2.683 178.266 176.094 -0.852 0.000 1.055 374 V CA 2.020 63.672 62.300 -1.080 0.000 1.049 374 V CB -1.124 30.215 31.823 -0.807 0.000 0.662 374 V HN 0.559 nan 8.190 nan 0.000 0.455 375 A N -0.204 122.275 122.820 -0.568 0.000 1.898 375 A HA -0.245 4.075 4.320 -0.000 0.000 0.216 375 A C 2.110 179.408 177.584 -0.478 0.000 1.181 375 A CA 2.027 53.724 52.037 -0.565 0.000 0.620 375 A CB -0.769 17.616 19.000 -1.026 0.000 0.819 375 A HN 0.767 nan 8.150 nan 0.000 0.442 376 H N 0.365 119.098 119.070 -0.561 0.000 2.253 376 H HA -0.219 4.337 4.556 -0.000 0.000 0.296 376 H C 1.696 176.899 175.328 -0.209 0.000 1.074 376 H CA 2.418 58.254 56.048 -0.353 0.000 1.263 376 H CB -0.914 28.711 29.762 -0.228 0.000 1.363 376 H HN 0.578 nan 8.280 nan 0.000 0.489 377 F N -1.286 118.308 119.950 -0.594 0.000 2.451 377 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 377 F C 1.675 177.088 175.800 -0.645 0.000 1.101 377 F CA 0.917 58.476 58.000 -0.734 0.000 1.436 377 F CB -0.601 38.087 39.000 -0.520 0.000 1.074 377 F HN 0.201 nan 8.300 nan 0.000 0.553 378 H N -1.884 116.827 119.070 -0.599 0.000 2.525 378 H HA 0.053 4.609 4.556 -0.000 0.000 0.275 378 H C 1.337 176.236 175.328 -0.715 0.000 0.984 378 H CA 1.253 56.801 56.048 -0.834 0.000 1.264 378 H CB -0.151 28.536 29.762 -1.793 0.000 1.432 378 H HN 0.264 nan 8.280 nan 0.000 0.549 379 Y N 0.041 120.051 120.300 -0.484 0.000 2.184 379 Y HA -0.198 4.352 4.550 -0.000 0.000 0.290 379 Y C 2.518 178.199 175.900 -0.365 0.000 1.129 379 Y CA 1.412 59.282 58.100 -0.384 0.000 1.144 379 Y CB -0.245 38.015 38.460 -0.334 0.000 0.995 379 Y HN 0.128 nan 8.280 nan 0.000 0.513 380 V N -2.352 117.421 119.914 -0.234 0.000 2.548 380 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 380 V C 1.741 177.766 176.094 -0.116 0.000 1.055 380 V CA 1.560 63.760 62.300 -0.166 0.000 1.065 380 V CB -0.796 30.892 31.823 -0.226 0.000 0.681 380 V HN 0.339 nan 8.190 nan 0.000 0.462 381 L N -0.108 120.986 121.223 -0.215 0.000 2.262 381 L HA 0.162 4.502 4.340 -0.000 0.000 0.197 381 L C 2.671 179.460 176.870 -0.135 0.000 1.073 381 L CA 1.330 56.056 54.840 -0.190 0.000 0.800 381 L CB -0.468 41.415 42.059 -0.292 0.000 0.987 381 L HN 0.267 nan 8.230 nan 0.000 0.470 382 S N -1.021 114.561 115.700 -0.198 0.000 2.561 382 S HA 0.104 4.574 4.470 -0.000 0.000 0.225 382 S C 1.632 176.205 174.600 -0.045 0.000 0.977 382 S CA 0.738 58.899 58.200 -0.066 0.000 0.926 382 S CB 0.114 63.279 63.200 -0.057 0.000 0.769 382 S HN 0.233 nan 8.310 nan 0.000 0.533 383 M N -1.187 118.264 119.600 -0.248 0.000 2.879 383 M HA 0.277 4.757 4.480 -0.000 0.000 0.241 383 M C 2.196 178.244 176.300 -0.419 0.000 1.523 383 M CA 0.665 55.604 55.300 -0.602 0.000 1.195 383 M CB -0.473 31.642 32.600 -0.809 0.000 1.277 383 M HN 0.297 nan 8.290 nan 0.000 0.557 384 G N 0.567 109.234 108.800 -0.222 0.000 2.616 384 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.215 384 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.215 384 G C 1.538 176.671 174.900 0.388 0.000 1.284 384 G CA 1.055 46.092 45.100 -0.105 0.000 0.823 384 G HN 0.448 nan 8.290 nan 0.000 0.569 385 A N -0.286 122.679 122.820 0.242 0.000 1.892 385 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 385 A C 2.625 180.345 177.584 0.226 0.000 1.188 385 A CA 2.262 54.424 52.037 0.209 0.000 0.631 385 A CB -0.886 18.137 19.000 0.038 0.000 0.822 385 A HN 0.325 nan 8.150 nan 0.000 0.447 386 V N -1.358 118.689 119.914 0.221 0.000 2.343 386 V HA -0.244 3.876 4.120 -0.000 0.000 0.247 386 V C 2.311 178.602 176.094 0.328 0.000 1.051 386 V CA 2.008 64.451 62.300 0.238 0.000 1.036 386 V CB -0.859 31.114 31.823 0.250 0.000 0.654 386 V HN 0.637 nan 8.190 nan 0.000 0.451 387 F N 0.183 120.275 119.950 0.237 0.000 2.171 387 F HA -0.172 4.355 4.527 -0.000 0.000 0.300 387 F C 2.449 178.387 175.800 0.230 0.000 1.090 387 F CA 0.890 59.114 58.000 0.373 0.000 1.293 387 F CB -0.323 39.075 39.000 0.663 0.000 1.013 387 F HN 0.155 nan 8.300 nan 0.000 0.486 388 A N 0.408 123.475 122.820 0.411 0.000 1.930 388 A HA -0.141 4.179 4.320 -0.000 0.000 0.217 388 A C 2.114 179.683 177.584 -0.025 0.000 1.175 388 A CA 1.272 53.333 52.037 0.039 0.000 0.627 388 A CB -0.913 18.021 19.000 -0.109 0.000 0.815 388 A HN 0.391 nan 8.150 nan 0.000 0.443 389 I N -0.736 119.863 120.570 0.047 0.000 2.179 389 I HA -0.270 3.900 4.170 -0.000 0.000 0.242 389 I C 2.545 178.689 176.117 0.045 0.000 1.088 389 I CA 1.181 62.536 61.300 0.092 0.000 1.357 389 I CB -0.255 37.834 38.000 0.148 0.000 1.051 389 I HN 0.265 nan 8.210 nan 0.000 0.409 390 M N 0.187 119.653 119.600 -0.223 0.000 2.132 390 M HA -0.076 4.404 4.480 -0.000 0.000 0.263 390 M C 2.402 178.412 176.300 -0.483 0.000 1.065 390 M CA 1.754 56.715 55.300 -0.566 0.000 1.122 390 M CB -2.016 29.602 32.600 -1.635 0.000 1.365 390 M HN 0.277 nan 8.290 nan 0.000 0.411 391 G N -0.223 108.349 108.800 -0.380 0.000 2.421 391 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 391 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 391 G C 1.606 176.489 174.900 -0.029 0.000 1.171 391 G CA 1.029 46.081 45.100 -0.078 0.000 0.775 391 G HN 0.550 nan 8.290 nan 0.000 0.543 392 G N 0.172 108.938 108.800 -0.057 0.000 2.408 392 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.217 392 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.217 392 G C 1.590 176.693 174.900 0.338 0.000 1.150 392 G CA 0.858 45.946 45.100 -0.020 0.000 0.776 392 G HN 0.339 nan 8.290 nan 0.000 0.542 393 F N 2.026 122.169 119.950 0.321 0.000 2.075 393 F HA -0.151 4.376 4.527 -0.000 0.000 0.297 393 F C 2.810 178.762 175.800 0.253 0.000 1.113 393 F CA 2.028 60.306 58.000 0.463 0.000 1.218 393 F CB -0.544 38.625 39.000 0.281 0.000 0.984 393 F HN 0.066 nan 8.300 nan 0.000 0.472 394 V N -1.336 118.666 119.914 0.147 0.000 2.407 394 V HA -0.262 3.858 4.120 -0.000 0.000 0.248 394 V C 2.422 178.522 176.094 0.010 0.000 1.055 394 V CA 2.390 64.702 62.300 0.021 0.000 1.049 394 V CB -1.561 30.358 31.823 0.161 0.000 0.662 394 V HN 0.542 nan 8.190 nan 0.000 0.455 395 H N -0.618 118.395 119.070 -0.095 0.000 2.321 395 H HA -0.123 4.433 4.556 -0.000 0.000 0.300 395 H C 1.827 177.030 175.328 -0.208 0.000 1.087 395 H CA 2.448 58.366 56.048 -0.217 0.000 1.319 395 H CB -0.243 29.202 29.762 -0.528 0.000 1.379 395 H HN 0.562 nan 8.280 nan 0.000 0.501 396 W N -0.382 120.715 121.300 -0.339 0.000 3.290 396 W HA 0.046 4.706 4.660 -0.000 0.000 0.287 396 W C 1.577 177.401 176.519 -1.159 0.000 1.288 396 W CA -0.277 56.539 57.345 -0.882 0.000 1.725 396 W CB -0.806 28.015 29.460 -1.064 0.000 1.103 396 W HN 0.214 nan 8.180 nan 0.000 0.670 397 F N 2.830 122.366 119.950 -0.690 0.000 2.091 397 F HA -0.182 4.345 4.527 -0.000 0.000 0.299 397 F C -0.736 174.789 175.800 -0.459 0.000 1.103 397 F CA 1.897 59.481 58.000 -0.693 0.000 1.228 397 F CB -1.372 37.178 39.000 -0.751 0.000 0.984 397 F HN -0.248 nan 8.300 nan 0.000 0.477 398 P HA -0.179 nan 4.420 nan 0.000 0.218 398 P C 1.770 178.900 177.300 -0.285 0.000 1.149 398 P CA 1.245 64.211 63.100 -0.222 0.000 0.817 398 P CB -0.105 31.640 31.700 0.076 0.000 0.785 399 L N -1.679 119.260 121.223 -0.473 0.000 2.056 399 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 399 L C 1.954 178.522 176.870 -0.502 0.000 1.078 399 L CA 2.015 56.466 54.840 -0.650 0.000 0.749 399 L CB -1.231 40.015 42.059 -1.355 0.000 0.901 399 L HN -0.163 nan 8.230 nan 0.000 0.433 400 F N -0.422 119.062 119.950 -0.776 0.000 2.163 400 F HA -0.039 4.488 4.527 -0.000 0.000 0.297 400 F C 2.823 178.321 175.800 -0.503 0.000 1.094 400 F CA 0.999 58.448 58.000 -0.918 0.000 1.290 400 F CB -1.675 36.727 39.000 -0.997 0.000 1.017 400 F HN 0.348 nan 8.300 nan 0.000 0.483 401 S N -1.292 114.119 115.700 -0.481 0.000 2.456 401 S HA 0.379 4.849 4.470 -0.000 0.000 0.224 401 S C 1.961 176.254 174.600 -0.512 0.000 1.035 401 S CA 0.667 58.591 58.200 -0.461 0.000 0.940 401 S CB 0.112 62.725 63.200 -0.978 0.000 0.799 401 S HN 0.534 nan 8.310 nan 0.000 0.508 402 G N -0.153 108.351 108.800 -0.493 0.000 2.213 402 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.236 402 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.236 402 G C -0.146 174.479 174.900 -0.458 0.000 0.991 402 G CA 0.244 45.075 45.100 -0.448 0.000 0.629 402 G HN 0.535 nan 8.290 nan 0.000 0.517 403 Y N 1.324 121.488 120.300 -0.227 0.000 2.534 403 Y HA 0.693 5.243 4.550 -0.000 0.000 0.329 403 Y C 0.988 176.848 175.900 -0.066 0.000 1.154 403 Y CA -0.430 57.586 58.100 -0.139 0.000 1.192 403 Y CB 1.347 39.721 38.460 -0.142 0.000 1.275 403 Y HN 0.282 nan 8.280 nan 0.000 0.491 404 T N -0.593 114.088 114.554 0.213 0.000 2.945 404 T HA 0.766 5.116 4.350 -0.000 0.000 0.286 404 T C -0.489 174.300 174.700 0.149 0.000 1.025 404 T CA -0.913 61.289 62.100 0.170 0.000 1.039 404 T CB 0.894 69.820 68.868 0.097 0.000 1.068 404 T HN 0.474 nan 8.240 nan 0.000 0.497 405 L N 1.744 123.027 121.223 0.100 0.000 2.416 405 L HA 0.455 4.795 4.340 -0.000 0.000 0.262 405 L C 0.894 177.788 176.870 0.041 0.000 1.093 405 L CA -1.207 53.624 54.840 -0.014 0.000 0.801 405 L CB 0.617 42.626 42.059 -0.083 0.000 1.191 405 L HN 0.703 nan 8.230 nan 0.000 0.459 406 N N 0.739 119.482 118.700 0.072 0.000 2.402 406 N HA -0.017 4.723 4.740 -0.000 0.000 0.252 406 N C 0.169 175.777 175.510 0.163 0.000 1.118 406 N CA 0.006 53.144 53.050 0.147 0.000 0.945 406 N CB 1.111 39.776 38.487 0.298 0.000 1.147 406 N HN 0.537 nan 8.380 nan 0.000 0.495 407 D N 2.282 122.744 120.400 0.104 0.000 2.133 407 D HA -0.144 4.496 4.640 -0.000 0.000 0.195 407 D C 1.172 177.532 176.300 0.100 0.000 0.997 407 D CA 1.672 55.726 54.000 0.090 0.000 0.840 407 D CB 0.196 41.028 40.800 0.053 0.000 0.947 407 D HN 0.574 nan 8.370 nan 0.000 0.452 408 T N -0.993 113.599 114.554 0.064 0.000 2.708 408 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 408 T C 1.721 176.477 174.700 0.093 0.000 1.037 408 T CA 1.047 63.150 62.100 0.005 0.000 1.146 408 T CB -0.544 68.251 68.868 -0.121 0.000 0.865 408 T HN 0.356 nan 8.240 nan 0.000 0.435 409 W N 1.251 122.614 121.300 0.105 0.000 2.358 409 W HA -0.044 4.616 4.660 -0.000 0.000 0.303 409 W C 2.844 179.474 176.519 0.185 0.000 1.208 409 W CA 0.514 57.953 57.345 0.156 0.000 1.274 409 W CB -0.271 29.294 29.460 0.176 0.000 1.138 409 W HN 0.212 nan 8.180 nan 0.000 0.515 410 A N 0.258 123.323 122.820 0.408 0.000 1.972 410 A HA -0.197 4.123 4.320 -0.000 0.000 0.219 410 A C 1.805 179.600 177.584 0.352 0.000 1.169 410 A CA 1.691 53.953 52.037 0.375 0.000 0.635 410 A CB -0.536 18.630 19.000 0.276 0.000 0.810 410 A HN 0.302 nan 8.150 nan 0.000 0.446 411 K N -0.511 120.020 120.400 0.219 0.000 2.103 411 K HA 0.063 4.383 4.320 -0.000 0.000 0.204 411 K C 1.709 178.422 176.600 0.188 0.000 1.052 411 K CA 1.171 57.535 56.287 0.130 0.000 0.945 411 K CB -0.264 32.263 32.500 0.043 0.000 0.722 411 K HN 0.517 nan 8.250 nan 0.000 0.443 412 I N 0.690 121.398 120.570 0.229 0.000 2.179 412 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 412 I C 2.710 178.992 176.117 0.275 0.000 1.088 412 I CA 1.313 62.752 61.300 0.231 0.000 1.357 412 I CB -0.475 37.708 38.000 0.304 0.000 1.051 412 I HN 0.348 nan 8.210 nan 0.000 0.409 413 H N 1.013 120.256 119.070 0.288 0.000 2.319 413 H HA -0.290 4.266 4.556 -0.000 0.000 0.299 413 H C 2.293 177.757 175.328 0.226 0.000 1.092 413 H CA 2.347 58.568 56.048 0.288 0.000 1.302 413 H CB -0.269 29.710 29.762 0.362 0.000 1.373 413 H HN 0.345 nan 8.280 nan 0.000 0.497 414 F N 1.579 121.417 119.950 -0.188 0.000 2.095 414 F HA -0.159 4.368 4.527 -0.000 0.000 0.298 414 F C 2.687 178.234 175.800 -0.422 0.000 1.104 414 F CA 1.917 59.475 58.000 -0.737 0.000 1.232 414 F CB -0.838 37.562 39.000 -1.001 0.000 0.987 414 F HN 0.229 nan 8.300 nan 0.000 0.475 415 A N 0.979 123.635 122.820 -0.273 0.000 1.908 415 A HA -0.173 4.147 4.320 -0.000 0.000 0.218 415 A C 2.314 179.799 177.584 -0.165 0.000 1.181 415 A CA 2.158 54.037 52.037 -0.263 0.000 0.627 415 A CB -1.309 17.663 19.000 -0.046 0.000 0.818 415 A HN 0.554 nan 8.150 nan 0.000 0.445 416 I N -1.646 118.874 120.570 -0.083 0.000 2.179 416 I HA -0.269 3.901 4.170 -0.000 0.000 0.242 416 I C 2.649 178.739 176.117 -0.044 0.000 1.088 416 I CA 1.926 63.216 61.300 -0.017 0.000 1.357 416 I CB -0.295 37.739 38.000 0.057 0.000 1.051 416 I HN 0.390 nan 8.210 nan 0.000 0.409 417 M N 0.494 120.024 119.600 -0.117 0.000 2.159 417 M HA -0.242 4.238 4.480 -0.000 0.000 0.263 417 M C 2.069 178.361 176.300 -0.013 0.000 1.063 417 M CA 1.860 57.135 55.300 -0.041 0.000 1.110 417 M CB -0.588 32.008 32.600 -0.007 0.000 1.374 417 M HN 0.174 nan 8.290 nan 0.000 0.411 418 F N -0.534 119.217 119.950 -0.332 0.000 2.095 418 F HA -0.207 4.320 4.527 -0.000 0.000 0.298 418 F C 1.917 177.660 175.800 -0.095 0.000 1.104 418 F CA 1.891 59.748 58.000 -0.237 0.000 1.232 418 F CB -0.508 38.118 39.000 -0.625 0.000 0.987 418 F HN -0.031 nan 8.300 nan 0.000 0.475 419 V N 0.187 120.123 119.914 0.036 0.000 2.295 419 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 419 V C 2.745 178.807 176.094 -0.053 0.000 1.049 419 V CA 1.916 64.221 62.300 0.008 0.000 1.024 419 V CB -1.658 30.192 31.823 0.044 0.000 0.648 419 V HN 0.537 nan 8.190 nan 0.000 0.447 420 G N 0.798 109.580 108.800 -0.030 0.000 2.545 420 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.217 420 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.217 420 G C 1.768 176.616 174.900 -0.086 0.000 1.218 420 G CA 2.003 47.085 45.100 -0.031 0.000 0.787 420 G HN 0.615 nan 8.290 nan 0.000 0.571 421 V N -0.820 119.059 119.914 -0.058 0.000 2.490 421 V HA -0.138 3.982 4.120 -0.000 0.000 0.250 421 V C 2.191 178.192 176.094 -0.155 0.000 1.061 421 V CA 2.215 64.486 62.300 -0.049 0.000 1.064 421 V CB -0.581 31.298 31.823 0.093 0.000 0.670 421 V HN 0.298 nan 8.190 nan 0.000 0.461 422 N N 0.028 118.589 118.700 -0.232 0.000 2.250 422 N HA -0.015 4.725 4.740 -0.000 0.000 0.181 422 N C 1.818 177.292 175.510 -0.060 0.000 1.017 422 N CA 1.874 54.807 53.050 -0.195 0.000 0.866 422 N CB -0.123 38.180 38.487 -0.306 0.000 0.985 422 N HN 0.572 nan 8.380 nan 0.000 0.429 423 M N 0.714 120.264 119.600 -0.084 0.000 2.319 423 M HA -0.079 4.401 4.480 -0.000 0.000 0.265 423 M C 1.490 177.727 176.300 -0.106 0.000 1.068 423 M CA 1.096 56.376 55.300 -0.033 0.000 1.118 423 M CB 0.023 32.613 32.600 -0.017 0.000 1.395 423 M HN -0.034 nan 8.290 nan 0.000 0.435 424 T N 0.220 114.605 114.554 -0.281 0.000 2.732 424 T HA -0.045 4.305 4.350 -0.000 0.000 0.261 424 T C 1.164 175.468 174.700 -0.660 0.000 1.040 424 T CA 1.525 63.285 62.100 -0.567 0.000 1.145 424 T CB -0.293 67.956 68.868 -1.032 0.000 0.866 424 T HN 0.411 nan 8.240 nan 0.000 0.427 425 F N -0.323 119.557 119.950 -0.116 0.000 2.530 425 F HA 0.288 4.815 4.527 -0.000 0.000 0.292 425 F C 1.854 177.648 175.800 -0.010 0.000 1.109 425 F CA -0.334 57.592 58.000 -0.125 0.000 1.450 425 F CB -0.357 38.514 39.000 -0.213 0.000 1.114 425 F HN 0.037 nan 8.300 nan 0.000 0.560 426 F N 2.730 122.734 119.950 0.089 0.000 2.095 426 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 426 F C -0.834 174.802 175.800 -0.273 0.000 1.104 426 F CA 1.215 59.257 58.000 0.070 0.000 1.232 426 F CB -1.728 37.279 39.000 0.011 0.000 0.987 426 F HN -0.150 nan 8.300 nan 0.000 0.475 427 P HA -0.187 nan 4.420 nan 0.000 0.221 427 P C 1.145 178.117 177.300 -0.546 0.000 1.145 427 P CA 1.681 64.422 63.100 -0.599 0.000 0.795 427 P CB -0.218 31.445 31.700 -0.062 0.000 0.775 428 Q N -1.946 117.635 119.800 -0.365 0.000 2.364 428 Q HA -0.185 4.155 4.340 -0.000 0.000 0.209 428 Q C 1.643 177.449 176.000 -0.324 0.000 0.977 428 Q CA 1.020 56.680 55.803 -0.239 0.000 0.885 428 Q CB -0.571 28.128 28.738 -0.065 0.000 0.941 428 Q HN 0.535 nan 8.270 nan 0.000 0.464 429 H N -0.883 117.828 119.070 -0.599 0.000 2.357 429 H HA -0.114 4.442 4.556 -0.000 0.000 0.301 429 H C 1.420 176.615 175.328 -0.221 0.000 1.082 429 H CA 1.483 57.205 56.048 -0.543 0.000 1.342 429 H CB 0.061 29.292 29.762 -0.885 0.000 1.389 429 H HN 0.181 nan 8.280 nan 0.000 0.511 430 F N 0.528 120.339 119.950 -0.231 0.000 2.069 430 F HA -0.164 4.363 4.527 -0.000 0.000 0.298 430 F C 2.275 178.068 175.800 -0.012 0.000 1.113 430 F CA 0.970 58.836 58.000 -0.224 0.000 1.214 430 F CB -1.142 37.442 39.000 -0.693 0.000 0.978 430 F HN 0.086 nan 8.300 nan 0.000 0.474 431 L N -0.382 120.945 121.223 0.172 0.000 2.127 431 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 431 L C 2.672 179.565 176.870 0.039 0.000 1.089 431 L CA 1.361 56.249 54.840 0.081 0.000 0.757 431 L CB -1.354 40.617 42.059 -0.147 0.000 0.899 431 L HN 0.293 nan 8.230 nan 0.000 0.434 432 G N -0.012 108.853 108.800 0.108 0.000 2.404 432 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.214 432 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.214 432 G C 1.593 176.578 174.900 0.142 0.000 1.189 432 G CA 0.301 45.497 45.100 0.159 0.000 0.789 432 G HN 0.205 nan 8.290 nan 0.000 0.533 433 L N 1.674 123.002 121.223 0.175 0.000 2.083 433 L HA -0.090 4.250 4.340 -0.000 0.000 0.209 433 L C 2.991 179.926 176.870 0.109 0.000 1.083 433 L CA 1.511 56.404 54.840 0.090 0.000 0.752 433 L CB -0.415 41.709 42.059 0.108 0.000 0.899 433 L HN 0.403 nan 8.230 nan 0.000 0.433 434 S N -0.522 115.287 115.700 0.182 0.000 2.660 434 S HA 0.144 4.614 4.470 -0.000 0.000 0.223 434 S C 1.446 176.218 174.600 0.286 0.000 0.963 434 S CA 0.327 58.673 58.200 0.244 0.000 0.932 434 S CB 0.033 63.445 63.200 0.353 0.000 0.775 434 S HN 0.590 nan 8.310 nan 0.000 0.531 435 G N 1.107 109.998 108.800 0.153 0.000 2.141 435 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.242 435 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.242 435 G C -0.096 174.773 174.900 -0.053 0.000 0.982 435 G CA 0.145 45.303 45.100 0.097 0.000 0.662 435 G HN 0.646 nan 8.290 nan 0.000 0.527 436 M N 1.571 120.971 119.600 -0.333 0.000 2.227 436 M HA 0.405 4.885 4.480 -0.000 0.000 0.349 436 M C -2.097 174.059 176.300 -0.241 0.000 1.443 436 M CA -1.395 53.559 55.300 -0.576 0.000 1.110 436 M CB 0.717 32.754 32.600 -0.939 0.000 1.773 436 M HN -0.004 nan 8.290 nan 0.000 0.463 437 P HA 0.233 nan 4.420 nan 0.000 0.274 437 P C -1.131 176.025 177.300 -0.241 0.000 1.246 437 P CA -0.266 62.590 63.100 -0.407 0.000 0.795 437 P CB 0.592 31.810 31.700 -0.803 0.000 1.006 438 R N 1.092 121.500 120.500 -0.154 0.000 2.560 438 R HA 0.340 4.680 4.340 -0.000 0.000 0.270 438 R C 0.403 176.767 176.300 0.106 0.000 1.074 438 R CA -0.374 55.691 56.100 -0.057 0.000 1.140 438 R CB 0.148 30.371 30.300 -0.128 0.000 1.073 438 R HN 0.424 nan 8.270 nan 0.000 0.527 439 R N -0.106 120.562 120.500 0.280 0.000 3.531 439 R HA -0.230 4.110 4.340 -0.000 0.000 0.280 439 R C -1.149 175.531 176.300 0.633 0.000 1.130 439 R CA 0.721 57.087 56.100 0.443 0.000 0.757 439 R CB -2.023 28.444 30.300 0.278 0.000 1.218 439 R HN 0.572 nan 8.270 nan 0.000 0.454 440 Y N -0.448 120.013 120.300 0.268 0.000 2.341 440 Y HA 0.144 4.694 4.550 -0.000 0.000 0.337 440 Y C 1.676 177.381 175.900 -0.325 0.000 1.014 440 Y CA -0.234 57.898 58.100 0.054 0.000 1.111 440 Y CB 1.616 40.133 38.460 0.096 0.000 1.194 440 Y HN 0.202 nan 8.280 nan 0.000 0.462 441 S N 0.349 115.774 115.700 -0.458 0.000 2.496 441 S HA 0.006 4.476 4.470 -0.000 0.000 0.224 441 S C -0.056 174.316 174.600 -0.381 0.000 0.996 441 S CA 0.429 58.137 58.200 -0.820 0.000 0.927 441 S CB 0.183 63.078 63.200 -0.508 0.000 0.774 441 S HN 0.686 nan 8.310 nan 0.000 0.524 442 D N -0.446 119.815 120.400 -0.232 0.000 2.602 442 D HA 0.532 5.172 4.640 -0.000 0.000 0.236 442 D C -1.530 174.719 176.300 -0.084 0.000 1.209 442 D CA -0.788 53.048 54.000 -0.272 0.000 0.831 442 D CB 1.765 42.393 40.800 -0.285 0.000 1.478 442 D HN 0.258 nan 8.370 nan 0.000 0.438 443 Y N -1.659 118.682 120.300 0.069 0.000 2.609 443 Y HA 0.773 5.323 4.550 -0.000 0.000 0.342 443 Y C -2.672 173.343 175.900 0.191 0.000 1.058 443 Y CA -2.529 55.688 58.100 0.194 0.000 1.055 443 Y CB -0.177 38.391 38.460 0.179 0.000 1.292 443 Y HN 0.055 nan 8.280 nan 0.000 0.476 444 P HA 0.077 nan 4.420 nan 0.000 0.268 444 P C 0.019 177.457 177.300 0.230 0.000 1.208 444 P CA 0.202 63.447 63.100 0.240 0.000 0.777 444 P CB 0.839 32.673 31.700 0.224 0.000 0.875 445 D N 1.738 122.176 120.400 0.064 0.000 2.172 445 D HA -0.213 4.427 4.640 -0.000 0.000 0.196 445 D C 1.866 178.166 176.300 -0.000 0.000 0.999 445 D CA 1.985 56.009 54.000 0.039 0.000 0.856 445 D CB -0.695 40.092 40.800 -0.022 0.000 0.934 445 D HN 0.392 nan 8.370 nan 0.000 0.453 446 A N -0.118 122.608 122.820 -0.158 0.000 2.076 446 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 446 A C 1.294 178.705 177.584 -0.288 0.000 1.160 446 A CA 1.020 52.882 52.037 -0.291 0.000 0.653 446 A CB -0.838 17.903 19.000 -0.431 0.000 0.801 446 A HN 0.309 nan 8.150 nan 0.000 0.455 447 Y N -0.084 120.226 120.300 0.016 0.000 2.461 447 Y HA 0.079 4.629 4.550 -0.000 0.000 0.277 447 Y C 2.318 178.065 175.900 -0.255 0.000 1.182 447 Y CA 0.464 58.487 58.100 -0.129 0.000 1.276 447 Y CB -1.007 37.322 38.460 -0.217 0.000 1.087 447 Y HN 0.203 nan 8.280 nan 0.000 0.519 448 T N 0.101 114.690 114.554 0.058 0.000 2.684 448 T HA -0.282 4.068 4.350 -0.000 0.000 0.267 448 T C 2.088 176.728 174.700 -0.100 0.000 1.036 448 T CA 1.670 63.816 62.100 0.077 0.000 1.148 448 T CB -0.200 68.725 68.868 0.095 0.000 0.863 448 T HN 0.426 nan 8.240 nan 0.000 0.436 449 M N -0.448 118.989 119.600 -0.272 0.000 2.065 449 M HA -0.128 4.352 4.480 -0.000 0.000 0.259 449 M C 2.010 178.156 176.300 -0.255 0.000 1.071 449 M CA 1.942 57.002 55.300 -0.399 0.000 1.109 449 M CB -0.285 31.853 32.600 -0.770 0.000 1.313 449 M HN 0.420 nan 8.290 nan 0.000 0.408 450 W N 0.368 121.660 121.300 -0.012 0.000 2.363 450 W HA -0.178 4.482 4.660 -0.000 0.000 0.296 450 W C 2.155 178.610 176.519 -0.106 0.000 1.212 450 W CA 0.177 57.517 57.345 -0.009 0.000 1.260 450 W CB -0.667 28.823 29.460 0.049 0.000 1.131 450 W HN 0.340 nan 8.180 nan 0.000 0.530 451 N N -0.180 118.502 118.700 -0.030 0.000 2.244 451 N HA -0.100 4.640 4.740 -0.000 0.000 0.183 451 N C 1.500 176.987 175.510 -0.038 0.000 1.016 451 N CA 1.779 54.736 53.050 -0.155 0.000 0.866 451 N CB -0.426 37.795 38.487 -0.443 0.000 0.980 451 N HN 0.119 nan 8.380 nan 0.000 0.430 452 T N 1.732 116.280 114.554 -0.009 0.000 2.701 452 T HA 0.039 4.389 4.350 -0.000 0.000 0.263 452 T C 2.152 176.857 174.700 0.008 0.000 1.040 452 T CA 0.566 62.665 62.100 -0.002 0.000 1.147 452 T CB -0.047 68.808 68.868 -0.021 0.000 0.865 452 T HN 0.142 nan 8.240 nan 0.000 0.426 453 I N 1.020 121.626 120.570 0.060 0.000 2.179 453 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 453 I C 2.807 178.948 176.117 0.041 0.000 1.088 453 I CA 1.028 62.382 61.300 0.091 0.000 1.357 453 I CB -0.403 37.735 38.000 0.230 0.000 1.051 453 I HN 0.241 nan 8.210 nan 0.000 0.409 454 S N 0.162 115.875 115.700 0.021 0.000 2.370 454 S HA -0.205 4.265 4.470 -0.000 0.000 0.226 454 S C 2.204 176.750 174.600 -0.091 0.000 1.033 454 S CA 2.171 60.322 58.200 -0.082 0.000 1.011 454 S CB -0.181 62.953 63.200 -0.112 0.000 0.852 454 S HN 0.417 nan 8.310 nan 0.000 0.457 455 S N 0.979 116.663 115.700 -0.028 0.000 2.402 455 S HA 0.059 4.529 4.470 -0.000 0.000 0.229 455 S C 1.862 176.511 174.600 0.080 0.000 1.021 455 S CA 1.269 59.491 58.200 0.038 0.000 0.974 455 S CB -0.309 62.918 63.200 0.046 0.000 0.800 455 S HN 0.522 nan 8.310 nan 0.000 0.484 456 M N 0.903 120.502 119.600 -0.001 0.000 2.099 456 M HA -0.029 4.451 4.480 -0.000 0.000 0.262 456 M C 2.562 178.898 176.300 0.061 0.000 1.067 456 M CA 1.474 56.766 55.300 -0.015 0.000 1.124 456 M CB -0.942 31.636 32.600 -0.036 0.000 1.353 456 M HN 0.456 nan 8.290 nan 0.000 0.410 457 G N 0.242 109.046 108.800 0.007 0.000 2.442 457 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.219 457 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.219 457 G C 1.629 176.513 174.900 -0.025 0.000 1.141 457 G CA 1.408 46.490 45.100 -0.031 0.000 0.763 457 G HN 0.567 nan 8.290 nan 0.000 0.554 458 S N -0.280 115.410 115.700 -0.018 0.000 2.423 458 S HA 0.033 4.503 4.470 -0.000 0.000 0.231 458 S C 2.081 176.722 174.600 0.068 0.000 1.014 458 S CA 0.804 58.996 58.200 -0.013 0.000 0.965 458 S CB -0.506 62.674 63.200 -0.033 0.000 0.785 458 S HN 0.297 nan 8.310 nan 0.000 0.495 459 F N 1.346 121.273 119.950 -0.039 0.000 2.259 459 F HA 0.238 4.765 4.527 -0.000 0.000 0.298 459 F C 2.173 177.973 175.800 0.000 0.000 1.088 459 F CA 0.746 58.739 58.000 -0.012 0.000 1.358 459 F CB -0.183 38.812 39.000 -0.008 0.000 1.040 459 F HN 0.186 nan 8.300 nan 0.000 0.505 460 I N -1.060 119.610 120.570 0.167 0.000 2.179 460 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 460 I C 2.396 178.554 176.117 0.068 0.000 1.088 460 I CA 1.163 62.522 61.300 0.099 0.000 1.357 460 I CB -0.569 37.470 38.000 0.066 0.000 1.051 460 I HN -0.019 nan 8.210 nan 0.000 0.409 461 S N 0.860 116.588 115.700 0.047 0.000 2.383 461 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 461 S C 1.909 176.537 174.600 0.048 0.000 1.030 461 S CA 1.325 59.557 58.200 0.053 0.000 1.002 461 S CB -0.404 62.826 63.200 0.050 0.000 0.829 461 S HN 0.327 nan 8.310 nan 0.000 0.467 462 L N 1.816 123.034 121.223 -0.009 0.000 2.046 462 L HA -0.098 4.242 4.340 -0.000 0.000 0.208 462 L C 2.195 179.068 176.870 0.004 0.000 1.077 462 L CA 1.938 56.747 54.840 -0.052 0.000 0.747 462 L CB -1.426 40.513 42.059 -0.199 0.000 0.896 462 L HN 0.180 nan 8.230 nan 0.000 0.432 463 T N 0.076 114.650 114.554 0.034 0.000 2.720 463 T HA -0.187 4.163 4.350 -0.000 0.000 0.268 463 T C 1.917 176.682 174.700 0.108 0.000 1.037 463 T CA 1.480 63.618 62.100 0.064 0.000 1.144 463 T CB -0.598 68.319 68.868 0.080 0.000 0.864 463 T HN 0.563 nan 8.240 nan 0.000 0.444 464 A N 0.867 123.770 122.820 0.137 0.000 1.902 464 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 464 A C 2.596 180.366 177.584 0.310 0.000 1.181 464 A CA 1.332 53.516 52.037 0.246 0.000 0.623 464 A CB -1.015 18.079 19.000 0.156 0.000 0.818 464 A HN 0.354 nan 8.150 nan 0.000 0.443 465 V N 0.110 120.137 119.914 0.188 0.000 2.343 465 V HA -0.332 3.788 4.120 -0.000 0.000 0.247 465 V C 2.666 178.807 176.094 0.079 0.000 1.051 465 V CA 2.316 64.697 62.300 0.135 0.000 1.036 465 V CB -0.698 31.166 31.823 0.068 0.000 0.654 465 V HN 0.583 nan 8.190 nan 0.000 0.451 466 M N -1.138 118.498 119.600 0.059 0.000 2.132 466 M HA -0.145 4.335 4.480 -0.000 0.000 0.263 466 M C 2.242 178.577 176.300 0.058 0.000 1.065 466 M CA 1.635 56.954 55.300 0.032 0.000 1.122 466 M CB -0.519 32.085 32.600 0.006 0.000 1.365 466 M HN 0.332 nan 8.290 nan 0.000 0.411 467 L N 0.907 122.185 121.223 0.092 0.000 2.012 467 L HA -0.205 4.135 4.340 -0.000 0.000 0.210 467 L C 2.535 179.462 176.870 0.096 0.000 1.073 467 L CA 1.797 56.702 54.840 0.108 0.000 0.748 467 L CB -0.595 41.573 42.059 0.182 0.000 0.891 467 L HN 0.306 nan 8.230 nan 0.000 0.431 468 M N -1.776 117.825 119.600 0.002 0.000 2.149 468 M HA -0.213 4.267 4.480 -0.000 0.000 0.261 468 M C 1.997 178.245 176.300 -0.085 0.000 1.064 468 M CA 2.051 57.228 55.300 -0.204 0.000 1.102 468 M CB -0.141 32.261 32.600 -0.330 0.000 1.369 468 M HN 0.173 nan 8.290 nan 0.000 0.408 469 V N 0.725 120.637 119.914 -0.004 0.000 2.295 469 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 469 V C 2.200 178.344 176.094 0.082 0.000 1.049 469 V CA 2.213 64.533 62.300 0.035 0.000 1.024 469 V CB -1.064 30.782 31.823 0.038 0.000 0.648 469 V HN 0.656 nan 8.190 nan 0.000 0.447 470 F N 0.802 120.724 119.950 -0.047 0.000 2.102 470 F HA -0.188 4.339 4.527 -0.000 0.000 0.298 470 F C 2.121 177.929 175.800 0.013 0.000 1.105 470 F CA 1.741 59.725 58.000 -0.025 0.000 1.239 470 F CB -0.386 38.517 39.000 -0.163 0.000 0.991 470 F HN 0.074 nan 8.300 nan 0.000 0.474 471 I N 0.467 120.783 120.570 -0.424 0.000 2.208 471 I HA -0.337 3.833 4.170 -0.000 0.000 0.245 471 I C 2.400 178.293 176.117 -0.372 0.000 1.097 471 I CA 1.668 62.661 61.300 -0.512 0.000 1.363 471 I CB -0.556 37.312 38.000 -0.219 0.000 1.051 471 I HN 0.220 nan 8.210 nan 0.000 0.413 472 I N -0.665 119.790 120.570 -0.192 0.000 2.394 472 I HA -0.276 3.894 4.170 -0.000 0.000 0.251 472 I C 2.412 178.566 176.117 0.063 0.000 1.136 472 I CA 1.306 62.543 61.300 -0.105 0.000 1.425 472 I CB -0.349 37.707 38.000 0.094 0.000 1.079 472 I HN 0.426 nan 8.210 nan 0.000 0.425 473 W N 2.138 123.363 121.300 -0.125 0.000 2.381 473 W HA -0.185 4.475 4.660 -0.000 0.000 0.301 473 W C 2.438 178.867 176.519 -0.151 0.000 1.205 473 W CA 1.375 58.693 57.345 -0.045 0.000 1.285 473 W CB -0.152 29.261 29.460 -0.079 0.000 1.133 473 W HN 0.007 nan 8.180 nan 0.000 0.521 474 E N 0.886 120.787 120.200 -0.498 0.000 2.085 474 E HA -0.248 4.102 4.350 -0.000 0.000 0.194 474 E C 2.110 178.391 176.600 -0.532 0.000 0.994 474 E CA 1.814 57.776 56.400 -0.729 0.000 0.801 474 E CB -0.563 28.726 29.700 -0.684 0.000 0.743 474 E HN 0.344 nan 8.360 nan 0.000 0.453 475 A N 0.184 122.767 122.820 -0.394 0.000 1.858 475 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 475 A C 2.176 179.524 177.584 -0.393 0.000 1.190 475 A CA 1.420 53.268 52.037 -0.314 0.000 0.617 475 A CB -1.090 17.732 19.000 -0.296 0.000 0.827 475 A HN 0.325 nan 8.150 nan 0.000 0.443 476 F N -0.150 119.664 119.950 -0.226 0.000 2.234 476 F HA -0.046 4.481 4.527 -0.000 0.000 0.299 476 F C 2.720 178.228 175.800 -0.486 0.000 1.087 476 F CA 0.707 58.531 58.000 -0.292 0.000 1.340 476 F CB -0.015 38.949 39.000 -0.059 0.000 1.031 476 F HN 0.287 nan 8.300 nan 0.000 0.500 477 A N -1.015 121.500 122.820 -0.507 0.000 1.930 477 A HA -0.096 4.224 4.320 -0.000 0.000 0.215 477 A C 2.265 179.587 177.584 -0.437 0.000 1.176 477 A CA 1.763 53.421 52.037 -0.631 0.000 0.632 477 A CB -0.731 17.449 19.000 -1.368 0.000 0.819 477 A HN 0.261 nan 8.150 nan 0.000 0.445 478 S N -0.940 114.508 115.700 -0.419 0.000 2.406 478 S HA 0.054 4.524 4.470 -0.000 0.000 0.224 478 S C 0.407 174.845 174.600 -0.269 0.000 1.030 478 S CA 0.669 58.704 58.200 -0.276 0.000 0.958 478 S CB -0.114 62.961 63.200 -0.208 0.000 0.811 478 S HN 0.571 nan 8.310 nan 0.000 0.489 479 K N 1.038 121.167 120.400 -0.451 0.000 3.372 479 K HA -0.139 4.181 4.320 -0.000 0.000 0.272 479 K C -0.997 175.530 176.600 -0.122 0.000 1.037 479 K CA 0.217 56.149 56.287 -0.593 0.000 0.777 479 K CB -1.141 31.119 32.500 -0.401 0.000 1.347 479 K HN 0.333 nan 8.250 nan 0.000 0.460 480 R N 1.821 122.304 120.500 -0.028 0.000 2.248 480 R HA 0.112 4.452 4.340 -0.000 0.000 0.337 480 R C -0.080 176.353 176.300 0.222 0.000 1.106 480 R CA -0.236 55.913 56.100 0.083 0.000 0.959 480 R CB 0.494 30.823 30.300 0.048 0.000 1.075 480 R HN 0.250 nan 8.270 nan 0.000 0.480 481 E N 1.790 122.120 120.200 0.218 0.000 2.338 481 E HA 0.073 4.423 4.350 -0.000 0.000 0.272 481 E C -0.060 176.588 176.600 0.081 0.000 1.029 481 E CA -0.378 56.125 56.400 0.171 0.000 0.872 481 E CB 1.326 31.102 29.700 0.126 0.000 1.015 481 E HN 0.190 nan 8.360 nan 0.000 0.417 482 V N 4.433 124.370 119.914 0.039 0.000 2.843 482 V HA -0.051 4.069 4.120 -0.000 0.000 0.305 482 V C 1.054 177.163 176.094 0.025 0.000 1.065 482 V CA 0.621 62.939 62.300 0.029 0.000 1.116 482 V CB 0.721 32.560 31.823 0.027 0.000 0.968 482 V HN 0.696 nan 8.190 nan 0.000 0.487 483 L N 2.153 123.389 121.223 0.021 0.000 2.777 483 L HA 0.277 4.617 4.340 -0.000 0.000 0.172 483 L C 0.680 177.557 176.870 0.013 0.000 1.179 483 L CA 0.506 55.356 54.840 0.018 0.000 0.859 483 L CB 0.443 42.511 42.059 0.015 0.000 1.269 483 L HN 0.614 nan 8.230 nan 0.000 0.511 484 T N 0.536 115.088 114.554 -0.002 0.000 2.887 484 T HA 0.618 4.968 4.350 -0.000 0.000 0.288 484 T C -0.836 173.829 174.700 -0.058 0.000 1.021 484 T CA -0.303 61.787 62.100 -0.017 0.000 1.000 484 T CB 2.779 71.636 68.868 -0.019 0.000 1.034 484 T HN -0.208 nan 8.240 nan 0.000 0.467 485 V N 2.448 122.311 119.914 -0.084 0.000 2.638 485 V HA 0.404 4.524 4.120 -0.000 0.000 0.306 485 V C -0.316 175.685 176.094 -0.154 0.000 1.052 485 V CA -1.004 61.177 62.300 -0.199 0.000 0.885 485 V CB 2.194 33.806 31.823 -0.353 0.000 0.999 485 V HN 0.822 nan 8.190 nan 0.000 0.424 486 D N 2.145 122.449 120.400 -0.159 0.000 2.354 486 D HA 0.476 5.116 4.640 -0.000 0.000 0.247 486 D C 0.950 177.154 176.300 -0.161 0.000 1.138 486 D CA -0.017 53.892 54.000 -0.151 0.000 0.958 486 D CB 1.211 41.895 40.800 -0.194 0.000 1.144 486 D HN 0.579 nan 8.370 nan 0.000 0.458 487 L N 0.362 121.485 121.223 -0.167 0.000 4.001 487 L HA -0.320 4.020 4.340 -0.000 0.000 0.413 487 L C 1.756 178.640 176.870 0.024 0.000 1.185 487 L CA 0.737 55.497 54.840 -0.134 0.000 0.963 487 L CB -2.396 39.448 42.059 -0.357 0.000 1.976 487 L HN 0.540 nan 8.230 nan 0.000 0.939 488 T N -5.012 109.571 114.554 0.048 0.000 2.977 488 T HA -0.176 4.174 4.350 -0.000 0.000 0.271 488 T C 1.709 176.498 174.700 0.150 0.000 1.105 488 T CA 1.474 63.659 62.100 0.143 0.000 1.116 488 T CB -0.428 68.525 68.868 0.141 0.000 0.878 488 T HN 0.621 nan 8.240 nan 0.000 0.509 489 T N 0.187 114.797 114.554 0.093 0.000 3.007 489 T HA -0.043 4.307 4.350 -0.000 0.000 0.270 489 T C 1.509 176.274 174.700 0.109 0.000 1.107 489 T CA 1.218 63.373 62.100 0.091 0.000 1.118 489 T CB -0.777 68.122 68.868 0.052 0.000 0.889 489 T HN 0.630 nan 8.240 nan 0.000 0.506 490 T N -0.908 113.721 114.554 0.125 0.000 3.393 490 T HA 0.379 4.729 4.350 -0.000 0.000 0.298 490 T C -0.029 174.812 174.700 0.235 0.000 1.004 490 T CA -0.847 61.339 62.100 0.143 0.000 0.956 490 T CB -0.112 68.807 68.868 0.086 0.000 1.182 490 T HN 0.265 nan 8.240 nan 0.000 0.497 491 N N 1.312 120.197 118.700 0.309 0.000 2.700 491 N HA 0.143 4.883 4.740 -0.000 0.000 0.242 491 N C 0.478 176.275 175.510 0.479 0.000 1.541 491 N CA -0.272 53.063 53.050 0.474 0.000 0.764 491 N CB 1.549 40.397 38.487 0.602 0.000 1.319 491 N HN 0.063 nan 8.380 nan 0.000 0.518 492 L N 2.014 123.459 121.223 0.371 0.000 2.137 492 L HA -0.197 4.143 4.340 -0.000 0.000 0.213 492 L C 2.416 179.511 176.870 0.374 0.000 1.085 492 L CA 2.066 57.112 54.840 0.343 0.000 0.760 492 L CB -0.122 42.106 42.059 0.282 0.000 0.893 492 L HN 0.414 nan 8.230 nan 0.000 0.434 493 E N -1.717 118.696 120.200 0.354 0.000 2.265 493 E HA -0.276 4.074 4.350 -0.000 0.000 0.196 493 E C 1.719 178.407 176.600 0.146 0.000 0.996 493 E CA 1.625 58.162 56.400 0.229 0.000 0.832 493 E CB -0.910 28.851 29.700 0.102 0.000 0.756 493 E HN 0.714 nan 8.360 nan 0.000 0.491 494 W N 0.130 121.562 121.300 0.219 0.000 3.077 494 W HA 0.220 4.880 4.660 -0.000 0.000 0.266 494 W C 1.734 178.322 176.519 0.115 0.000 1.300 494 W CA -0.591 56.838 57.345 0.140 0.000 1.586 494 W CB 0.001 29.523 29.460 0.103 0.000 1.103 494 W HN 0.046 nan 8.180 nan 0.000 0.652 495 L N 1.118 122.546 121.223 0.342 0.000 2.353 495 L HA -0.104 4.236 4.340 -0.000 0.000 0.220 495 L C 1.238 178.188 176.870 0.132 0.000 1.133 495 L CA 1.642 56.617 54.840 0.226 0.000 0.798 495 L CB -0.653 41.541 42.059 0.226 0.000 0.922 495 L HN 0.045 nan 8.230 nan 0.000 0.445 496 N N -0.097 118.665 118.700 0.104 0.000 2.251 496 N HA 0.220 4.960 4.740 -0.000 0.000 0.217 496 N C 0.690 176.231 175.510 0.051 0.000 1.124 496 N CA 0.750 53.811 53.050 0.019 0.000 0.843 496 N CB 0.514 38.954 38.487 -0.077 0.000 1.024 496 N HN 0.356 nan 8.380 nan 0.000 0.501 497 G N 0.417 109.278 108.800 0.101 0.000 2.757 497 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.638 497 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.638 497 G C -0.871 174.083 174.900 0.091 0.000 1.344 497 G CA -0.828 44.327 45.100 0.092 0.000 0.855 497 G HN 0.285 nan 8.290 nan 0.000 0.537 498 C N 2.676 122.011 119.300 0.058 0.000 2.356 498 C HA 0.695 5.155 4.460 -0.000 0.000 0.324 498 C C -1.440 173.515 174.990 -0.060 0.000 1.167 498 C CA -0.713 58.309 59.018 0.007 0.000 1.420 498 C CB 1.025 28.786 27.740 0.035 0.000 2.036 498 C HN 0.808 nan 8.230 nan 0.000 0.435 499 P HA 0.419 nan 4.420 nan 0.000 0.282 499 P C -2.648 174.693 177.300 0.068 0.000 1.259 499 P CA -1.357 61.753 63.100 0.018 0.000 0.826 499 P CB 0.561 32.299 31.700 0.063 0.000 1.064 500 P HA 0.188 nan 4.420 nan 0.000 0.272 500 P C -2.254 175.079 177.300 0.054 0.000 1.230 500 P CA -1.313 61.838 63.100 0.085 0.000 0.788 500 P CB -0.997 30.777 31.700 0.123 0.000 0.949 501 P HA -0.046 nan 4.420 nan 0.000 0.270 501 P C 0.790 178.092 177.300 0.004 0.000 1.223 501 P CA -0.055 63.065 63.100 0.033 0.000 0.785 501 P CB 0.504 32.227 31.700 0.037 0.000 0.923 502 Y N 1.820 122.038 120.300 -0.137 0.000 2.096 502 Y HA -0.257 4.293 4.550 -0.000 0.000 0.278 502 Y C 0.912 176.611 175.900 -0.335 0.000 1.192 502 Y CA 1.850 59.776 58.100 -0.290 0.000 1.143 502 Y CB -0.532 37.719 38.460 -0.348 0.000 0.963 502 Y HN 0.435 nan 8.280 nan 0.000 0.505 503 H N -0.240 118.892 119.070 0.103 0.000 2.541 503 H HA 0.370 4.926 4.556 -0.000 0.000 0.316 503 H C -0.347 174.980 175.328 -0.001 0.000 1.043 503 H CA -0.219 55.855 56.048 0.044 0.000 1.232 503 H CB 1.017 30.840 29.762 0.101 0.000 1.406 503 H HN 0.024 nan 8.280 nan 0.000 0.469 504 T N -0.036 114.588 114.554 0.118 0.000 2.908 504 T HA 0.324 4.674 4.350 -0.000 0.000 0.290 504 T C -0.178 174.560 174.700 0.064 0.000 1.034 504 T CA -0.947 61.129 62.100 -0.040 0.000 1.010 504 T CB 1.036 69.852 68.868 -0.088 0.000 1.068 504 T HN 0.581 nan 8.240 nan 0.000 0.481 505 F N -0.538 119.456 119.950 0.072 0.000 3.074 505 F HA -0.209 4.318 4.527 -0.000 0.000 0.289 505 F C 1.320 177.140 175.800 0.033 0.000 0.863 505 F CA 0.405 58.434 58.000 0.049 0.000 1.121 505 F CB -2.488 36.533 39.000 0.035 0.000 1.169 505 F HN 0.802 nan 8.300 nan 0.000 0.570 506 E N 0.368 120.628 120.200 0.101 0.000 2.160 506 E HA -0.195 4.155 4.350 -0.000 0.000 0.195 506 E C 1.106 177.745 176.600 0.064 0.000 0.991 506 E CA 1.430 57.863 56.400 0.055 0.000 0.810 506 E CB 0.049 29.750 29.700 0.001 0.000 0.742 506 E HN 0.633 nan 8.360 nan 0.000 0.466 507 E N 1.744 121.991 120.200 0.080 0.000 2.092 507 E HA 0.149 4.499 4.350 -0.000 0.000 0.271 507 E C -2.368 174.330 176.600 0.164 0.000 0.919 507 E CA -2.668 53.786 56.400 0.090 0.000 0.760 507 E CB 0.953 30.693 29.700 0.066 0.000 1.106 507 E HN -0.170 nan 8.360 nan 0.000 0.408 508 P HA -0.023 nan 4.420 nan 0.000 0.271 508 P C -0.133 177.298 177.300 0.218 0.000 1.233 508 P CA -0.285 62.932 63.100 0.194 0.000 0.789 508 P CB 0.490 32.241 31.700 0.084 0.000 0.951 509 T N -1.354 113.336 114.554 0.226 0.000 2.802 509 T HA 0.148 4.498 4.350 -0.000 0.000 0.305 509 T C -0.399 174.410 174.700 0.183 0.000 1.053 509 T CA -0.257 61.977 62.100 0.224 0.000 1.058 509 T CB 0.093 69.073 68.868 0.187 0.000 0.988 509 T HN 0.391 nan 8.240 nan 0.000 0.539 510 Y N 1.250 121.593 120.300 0.071 0.000 2.328 510 Y HA 0.563 5.113 4.550 -0.000 0.000 0.337 510 Y C -1.255 174.668 175.900 0.038 0.000 1.008 510 Y CA -1.161 56.967 58.100 0.046 0.000 1.129 510 Y CB 0.992 39.477 38.460 0.043 0.000 1.185 510 Y HN 0.586 nan 8.280 nan 0.000 0.476 511 V N 6.486 126.204 119.914 -0.327 0.000 2.524 511 V HA 0.244 4.364 4.120 -0.000 0.000 0.297 511 V C -0.706 175.161 176.094 -0.379 0.000 1.035 511 V CA -1.266 60.911 62.300 -0.205 0.000 0.867 511 V CB 1.545 33.316 31.823 -0.086 0.000 1.004 511 V HN 0.852 nan 8.190 nan 0.000 0.426 512 N N 2.910 121.458 118.700 -0.254 0.000 2.508 512 N HA 0.220 4.960 4.740 -0.000 0.000 0.264 512 N C 0.746 176.198 175.510 -0.096 0.000 1.216 512 N CA -0.425 52.522 53.050 -0.172 0.000 0.943 512 N CB 1.017 39.517 38.487 0.021 0.000 1.113 512 N HN 0.583 nan 8.380 nan 0.000 0.447 513 L N 1.740 122.914 121.223 -0.083 0.000 2.298 513 L HA 0.173 4.513 4.340 -0.000 0.000 0.209 513 L C 0.265 177.125 176.870 -0.017 0.000 1.084 513 L CA 1.265 56.077 54.840 -0.047 0.000 0.816 513 L CB -0.461 41.569 42.059 -0.047 0.000 0.967 513 L HN 0.715 nan 8.230 nan 0.000 0.460 514 K N 0.000 120.396 120.400 -0.007 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.293 56.287 0.010 0.000 0.838 514 K CB 0.000 32.509 32.500 0.015 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543