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 2eim_1_N DATA FIRST_RESID 2 DATA SEQUENCE FINRWLFSTN HKDIGTLYLL FGAWAGMVGT ALSLLIRAEL GQPGTLLGDD DATA SEQUENCE QIYNVVVTAH AFVMIFFMVM PIMIGGFGNW LVPLMIGAPD MAFPRMNNMS DATA SEQUENCE FWLLPPSFLL LLASSMVEAG AGTGWTVYPP LAGNLAHAGA SVDLTIFSLH DATA SEQUENCE LAGVSSILGA INFITTIINM KPPAMSQYQT PLFVWSVMIT AVLLLLSLPV DATA SEQUENCE LAAGITMLLT DRNLNTTFFD PAGGGDPILY QHLFWFFGHP EVYILILPGF DATA SEQUENCE GMISHIVTYY SGKKEPFGYM GMVWAMMSIG FLGFIVWAHH MFTVGMDVDT DATA SEQUENCE RAYFTSATMI IAIPTGVKVF SWLATLHGGN IKWSPAMMWA LGFIFLFTVG DATA SEQUENCE GLTGIVLANS SLDIVLHDTY YVVAHFHYVL SMGAVFAIMG GFVHWFPLFS DATA SEQUENCE GYTLNDTWAK IHFAIMFVGV NMTFFPQHFL GLSGMPRRYS DYPDAYTMWN DATA SEQUENCE TISSMGSFIS LTAVMLMVFI IWEAFASKRE VLTVDLTTTN LEWLNGCPPP DATA SEQUENCE YHTFEEPTYV NLK VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.841 175.800 0.068 0.000 0.967 2 F CA 0.000 58.069 58.000 0.115 0.000 1.383 2 F CB 0.000 39.059 39.000 0.098 0.000 1.145 3 I N 1.641 122.285 120.570 0.123 0.000 2.394 3 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 3 I C 1.453 177.243 176.117 -0.545 0.000 1.136 3 I CA 1.634 62.813 61.300 -0.202 0.000 1.425 3 I CB -0.481 37.358 38.000 -0.268 0.000 1.079 3 I HN 0.291 nan 8.210 nan 0.000 0.425 4 N N 0.565 119.054 118.700 -0.352 0.000 2.188 4 N HA -0.170 4.570 4.740 -0.000 0.000 0.184 4 N C 1.870 177.248 175.510 -0.220 0.000 1.018 4 N CA 1.025 53.940 53.050 -0.225 0.000 0.858 4 N CB -0.237 38.211 38.487 -0.065 0.000 0.989 4 N HN 0.294 nan 8.380 nan 0.000 0.426 5 R N -0.912 119.359 120.500 -0.380 0.000 2.066 5 R HA -0.007 4.333 4.340 -0.000 0.000 0.224 5 R C 1.202 176.984 176.300 -0.864 0.000 1.122 5 R CA 0.996 56.709 56.100 -0.645 0.000 0.974 5 R CB -0.159 29.621 30.300 -0.866 0.000 0.871 5 R HN 0.244 nan 8.270 nan 0.000 0.435 6 W N -0.468 120.636 121.300 -0.327 0.000 2.863 6 W HA 0.140 4.800 4.660 -0.000 0.000 0.258 6 W C 1.159 177.708 176.519 0.049 0.000 1.298 6 W CA -0.384 56.808 57.345 -0.254 0.000 1.451 6 W CB 0.355 29.495 29.460 -0.533 0.000 1.107 6 W HN 0.115 nan 8.180 nan 0.000 0.641 7 L N -2.095 119.164 121.223 0.061 0.000 2.642 7 L HA 0.216 4.556 4.340 -0.000 0.000 0.233 7 L C 0.733 177.846 176.870 0.405 0.000 1.077 7 L CA 0.756 55.689 54.840 0.155 0.000 0.879 7 L CB -0.350 41.534 42.059 -0.293 0.000 1.151 7 L HN -0.171 nan 8.230 nan 0.000 0.495 8 F N -1.265 118.702 119.950 0.029 0.000 2.668 8 F HA 0.403 4.930 4.527 -0.000 0.000 0.301 8 F C 1.324 177.112 175.800 -0.020 0.000 1.106 8 F CA -1.101 56.899 58.000 -0.000 0.000 1.289 8 F CB -0.891 38.086 39.000 -0.038 0.000 1.006 8 F HN -0.192 nan 8.300 nan 0.000 0.535 9 S N 0.889 116.666 115.700 0.128 0.000 2.569 9 S HA 0.210 4.680 4.470 -0.000 0.000 0.274 9 S C 1.108 175.706 174.600 -0.003 0.000 1.353 9 S CA 0.980 59.161 58.200 -0.032 0.000 1.023 9 S CB 0.396 63.475 63.200 -0.201 0.000 0.876 9 S HN 0.484 nan 8.310 nan 0.000 0.540 10 T N 0.206 114.723 114.554 -0.061 0.000 3.567 10 T HA 0.272 4.622 4.350 -0.000 0.000 0.314 10 T C -0.324 174.298 174.700 -0.129 0.000 0.942 10 T CA -0.602 61.470 62.100 -0.045 0.000 0.997 10 T CB -0.732 68.141 68.868 0.010 0.000 1.205 10 T HN 0.565 nan 8.240 nan 0.000 0.518 11 N N 1.563 120.095 118.700 -0.278 0.000 2.444 11 N HA 0.159 4.899 4.740 -0.000 0.000 0.262 11 N C 1.217 176.411 175.510 -0.526 0.000 0.974 11 N CA -0.196 52.533 53.050 -0.536 0.000 0.933 11 N CB 1.184 39.073 38.487 -0.997 0.000 1.137 11 N HN 0.537 nan 8.380 nan 0.000 0.498 12 H N 3.991 122.802 119.070 -0.432 0.000 2.353 12 H HA -0.124 4.432 4.556 -0.000 0.000 0.298 12 H C 1.160 176.129 175.328 -0.598 0.000 1.103 12 H CA 1.670 57.480 56.048 -0.397 0.000 1.293 12 H CB 0.165 29.748 29.762 -0.299 0.000 1.372 12 H HN 0.501 nan 8.280 nan 0.000 0.501 13 K N 0.239 119.724 120.400 -1.525 0.000 2.002 13 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 13 K C 1.942 177.757 176.600 -1.309 0.000 1.048 13 K CA 1.444 56.625 56.287 -1.845 0.000 0.930 13 K CB -0.069 31.271 32.500 -1.934 0.000 0.714 13 K HN 0.315 nan 8.250 nan 0.000 0.438 14 D N 1.102 120.943 120.400 -0.930 0.000 2.104 14 D HA -0.130 4.510 4.640 -0.000 0.000 0.194 14 D C 1.954 178.005 176.300 -0.415 0.000 0.994 14 D CA 1.050 54.695 54.000 -0.592 0.000 0.830 14 D CB -0.197 40.138 40.800 -0.775 0.000 0.959 14 D HN 0.152 nan 8.370 nan 0.000 0.452 15 I N 0.842 121.142 120.570 -0.450 0.000 2.163 15 I HA -0.203 3.967 4.170 -0.000 0.000 0.243 15 I C 2.557 178.558 176.117 -0.194 0.000 1.085 15 I CA 1.437 62.520 61.300 -0.362 0.000 1.347 15 I CB -0.532 37.343 38.000 -0.209 0.000 1.044 15 I HN 0.028 nan 8.210 nan 0.000 0.408 16 G N -0.061 108.649 108.800 -0.150 0.000 2.450 16 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.220 16 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.220 16 G C 1.629 176.580 174.900 0.086 0.000 1.130 16 G CA 1.434 46.563 45.100 0.049 0.000 0.760 16 G HN 0.305 nan 8.290 nan 0.000 0.557 17 T N 1.155 115.687 114.554 -0.036 0.000 2.777 17 T HA -0.002 4.348 4.350 -0.000 0.000 0.266 17 T C 2.426 177.120 174.700 -0.010 0.000 1.040 17 T CA 0.812 62.981 62.100 0.114 0.000 1.141 17 T CB -0.144 68.846 68.868 0.202 0.000 0.868 17 T HN 0.177 nan 8.240 nan 0.000 0.444 18 L N -0.552 120.524 121.223 -0.245 0.000 2.056 18 L HA -0.062 4.278 4.340 -0.000 0.000 0.207 18 L C 2.348 179.003 176.870 -0.357 0.000 1.078 18 L CA 1.317 55.823 54.840 -0.557 0.000 0.749 18 L CB -0.640 40.561 42.059 -1.429 0.000 0.901 18 L HN 0.203 nan 8.230 nan 0.000 0.433 19 Y N 0.183 120.286 120.300 -0.327 0.000 2.128 19 Y HA -0.287 4.263 4.550 -0.000 0.000 0.284 19 Y C 2.437 178.457 175.900 0.200 0.000 1.154 19 Y CA 1.509 59.687 58.100 0.129 0.000 1.149 19 Y CB -0.542 37.975 38.460 0.095 0.000 0.976 19 Y HN 0.037 nan 8.280 nan 0.000 0.505 20 L N -0.974 120.395 121.223 0.244 0.000 2.012 20 L HA -0.281 4.059 4.340 -0.000 0.000 0.210 20 L C 2.330 179.316 176.870 0.192 0.000 1.073 20 L CA 1.331 56.259 54.840 0.147 0.000 0.748 20 L CB -0.771 41.337 42.059 0.082 0.000 0.891 20 L HN 0.260 nan 8.230 nan 0.000 0.431 21 L N -1.521 119.819 121.223 0.196 0.000 2.056 21 L HA -0.243 4.097 4.340 -0.000 0.000 0.207 21 L C 2.487 179.536 176.870 0.299 0.000 1.078 21 L CA 1.230 56.191 54.840 0.203 0.000 0.749 21 L CB -0.467 41.664 42.059 0.121 0.000 0.901 21 L HN 0.147 nan 8.230 nan 0.000 0.433 22 F N 0.621 120.723 119.950 0.253 0.000 2.075 22 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 22 F C 2.257 178.264 175.800 0.346 0.000 1.113 22 F CA 1.675 59.877 58.000 0.337 0.000 1.218 22 F CB -0.780 38.484 39.000 0.440 0.000 0.984 22 F HN -0.008 nan 8.300 nan 0.000 0.472 23 G N -0.227 108.785 108.800 0.354 0.000 2.440 23 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 23 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 23 G C 1.820 176.768 174.900 0.080 0.000 1.154 23 G CA 0.977 46.194 45.100 0.195 0.000 0.767 23 G HN 0.649 nan 8.290 nan 0.000 0.552 24 A N -0.110 122.769 122.820 0.097 0.000 1.883 24 A HA -0.091 4.229 4.320 -0.000 0.000 0.217 24 A C 2.175 179.803 177.584 0.073 0.000 1.186 24 A CA 1.685 53.750 52.037 0.047 0.000 0.624 24 A CB -0.798 18.234 19.000 0.054 0.000 0.822 24 A HN 0.532 nan 8.150 nan 0.000 0.444 25 W N 0.381 121.663 121.300 -0.031 0.000 2.354 25 W HA -0.125 4.535 4.660 -0.000 0.000 0.315 25 W C 2.636 179.144 176.519 -0.019 0.000 1.206 25 W CA 2.357 59.688 57.345 -0.023 0.000 1.290 25 W CB -0.366 29.080 29.460 -0.024 0.000 1.152 25 W HN 0.382 nan 8.180 nan 0.000 0.489 26 A N 0.512 123.368 122.820 0.059 0.000 1.892 26 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 26 A C 2.237 179.800 177.584 -0.035 0.000 1.188 26 A CA 2.392 54.423 52.037 -0.011 0.000 0.631 26 A CB -1.764 17.127 19.000 -0.183 0.000 0.822 26 A HN 0.432 nan 8.150 nan 0.000 0.447 27 G N -0.959 107.820 108.800 -0.035 0.000 2.469 27 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 27 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 27 G C 1.464 176.333 174.900 -0.052 0.000 1.150 27 G CA 1.442 46.526 45.100 -0.026 0.000 0.763 27 G HN 0.369 nan 8.290 nan 0.000 0.561 28 M N 0.423 119.944 119.600 -0.131 0.000 2.159 28 M HA -0.011 4.469 4.480 -0.000 0.000 0.263 28 M C 2.735 178.930 176.300 -0.176 0.000 1.063 28 M CA 0.701 55.897 55.300 -0.174 0.000 1.110 28 M CB -1.141 31.288 32.600 -0.284 0.000 1.374 28 M HN 0.145 nan 8.290 nan 0.000 0.411 29 V N 0.026 119.807 119.914 -0.222 0.000 2.307 29 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 29 V C 2.675 178.792 176.094 0.038 0.000 1.045 29 V CA 1.982 64.207 62.300 -0.124 0.000 1.024 29 V CB -1.851 29.934 31.823 -0.063 0.000 0.651 29 V HN 0.522 nan 8.190 nan 0.000 0.449 30 G N -0.129 108.716 108.800 0.075 0.000 2.450 30 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.220 30 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.220 30 G C 1.657 176.688 174.900 0.218 0.000 1.130 30 G CA 1.661 46.848 45.100 0.145 0.000 0.760 30 G HN 0.496 nan 8.290 nan 0.000 0.557 31 T N 1.632 116.256 114.554 0.116 0.000 2.770 31 T HA 0.092 4.442 4.350 -0.000 0.000 0.263 31 T C 2.863 177.609 174.700 0.078 0.000 1.039 31 T CA 1.365 63.532 62.100 0.112 0.000 1.142 31 T CB -0.459 68.439 68.868 0.050 0.000 0.868 31 T HN 0.360 nan 8.240 nan 0.000 0.435 32 A N 1.592 124.429 122.820 0.028 0.000 1.917 32 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 32 A C 2.329 179.936 177.584 0.039 0.000 1.182 32 A CA 1.459 53.502 52.037 0.009 0.000 0.633 32 A CB -1.060 17.925 19.000 -0.024 0.000 0.819 32 A HN 0.480 nan 8.150 nan 0.000 0.448 33 L N 0.226 121.498 121.223 0.083 0.000 2.012 33 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 33 L C 3.116 179.973 176.870 -0.022 0.000 1.073 33 L CA 1.819 56.710 54.840 0.085 0.000 0.748 33 L CB -0.684 41.499 42.059 0.208 0.000 0.891 33 L HN 0.658 nan 8.230 nan 0.000 0.431 34 S N 0.269 115.953 115.700 -0.027 0.000 2.356 34 S HA -0.192 4.278 4.470 -0.000 0.000 0.223 34 S C 1.994 176.554 174.600 -0.066 0.000 1.032 34 S CA 1.084 59.146 58.200 -0.231 0.000 1.005 34 S CB -0.831 62.365 63.200 -0.007 0.000 0.867 34 S HN 0.363 nan 8.310 nan 0.000 0.449 35 L N 0.526 121.760 121.223 0.018 0.000 2.187 35 L HA -0.021 4.319 4.340 -0.000 0.000 0.213 35 L C 2.560 179.477 176.870 0.078 0.000 1.100 35 L CA 0.942 55.823 54.840 0.068 0.000 0.765 35 L CB -0.505 41.586 42.059 0.053 0.000 0.904 35 L HN 0.347 nan 8.230 nan 0.000 0.437 36 L N -0.792 120.453 121.223 0.035 0.000 2.095 36 L HA -0.167 4.173 4.340 -0.000 0.000 0.204 36 L C 2.409 179.303 176.870 0.041 0.000 1.080 36 L CA 1.008 55.874 54.840 0.044 0.000 0.759 36 L CB -0.274 41.799 42.059 0.023 0.000 0.914 36 L HN 0.163 nan 8.230 nan 0.000 0.439 37 I N -0.489 120.058 120.570 -0.038 0.000 2.163 37 I HA -0.311 3.859 4.170 -0.000 0.000 0.243 37 I C 2.607 178.810 176.117 0.143 0.000 1.085 37 I CA 1.343 62.628 61.300 -0.025 0.000 1.347 37 I CB -0.419 37.502 38.000 -0.132 0.000 1.044 37 I HN 0.255 nan 8.210 nan 0.000 0.408 38 R N 0.646 121.192 120.500 0.078 0.000 2.193 38 R HA 0.038 4.378 4.340 -0.000 0.000 0.213 38 R C 2.292 178.646 176.300 0.091 0.000 1.055 38 R CA 1.067 57.213 56.100 0.077 0.000 0.995 38 R CB -0.245 30.062 30.300 0.012 0.000 0.893 38 R HN 0.368 nan 8.270 nan 0.000 0.459 39 A N 1.221 124.109 122.820 0.113 0.000 1.897 39 A HA -0.187 4.133 4.320 -0.000 0.000 0.215 39 A C 2.056 179.708 177.584 0.113 0.000 1.181 39 A CA 1.453 53.552 52.037 0.103 0.000 0.620 39 A CB -0.236 18.840 19.000 0.126 0.000 0.821 39 A HN 0.215 nan 8.150 nan 0.000 0.443 40 E N 0.339 120.641 120.200 0.171 0.000 2.110 40 E HA -0.104 4.246 4.350 -0.000 0.000 0.193 40 E C 1.539 178.235 176.600 0.161 0.000 0.988 40 E CA 1.261 57.774 56.400 0.188 0.000 0.804 40 E CB -0.349 29.561 29.700 0.349 0.000 0.745 40 E HN 0.589 nan 8.360 nan 0.000 0.458 41 L N -0.711 120.642 121.223 0.216 0.000 2.592 41 L HA 0.275 4.615 4.340 -0.000 0.000 0.227 41 L C 2.180 179.181 176.870 0.219 0.000 1.127 41 L CA 0.298 55.311 54.840 0.288 0.000 0.884 41 L CB -0.153 42.072 42.059 0.276 0.000 1.065 41 L HN 0.235 nan 8.230 nan 0.000 0.457 42 G N 0.858 109.726 108.800 0.114 0.000 2.475 42 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.220 42 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.220 42 G C 0.600 175.537 174.900 0.061 0.000 1.125 42 G CA 0.675 45.800 45.100 0.042 0.000 0.755 42 G HN 0.563 nan 8.290 nan 0.000 0.565 43 Q N -1.310 118.551 119.800 0.103 0.000 2.482 43 Q HA 0.533 4.873 4.340 -0.000 0.000 0.286 43 Q C -3.330 172.719 176.000 0.081 0.000 1.007 43 Q CA -2.198 53.663 55.803 0.096 0.000 0.801 43 Q CB 1.556 30.311 28.738 0.027 0.000 1.455 43 Q HN -0.107 nan 8.270 nan 0.000 0.398 44 P HA 0.388 nan 4.420 nan 0.000 0.268 44 P C -0.011 177.213 177.300 -0.126 0.000 1.205 44 P CA 1.409 64.442 63.100 -0.112 0.000 0.771 44 P CB 0.648 32.332 31.700 -0.026 0.000 0.858 45 G N 0.459 109.138 108.800 -0.202 0.000 2.498 45 G HA2 0.023 3.983 3.960 -0.000 0.000 0.651 45 G HA3 0.023 3.983 3.960 -0.000 0.000 0.651 45 G C -0.947 173.877 174.900 -0.127 0.000 1.284 45 G CA -0.483 44.538 45.100 -0.132 0.000 0.950 45 G HN 0.670 nan 8.290 nan 0.000 0.511 46 T N -0.779 113.726 114.554 -0.081 0.000 2.925 46 T HA 0.609 4.959 4.350 -0.000 0.000 0.285 46 T C 1.068 175.758 174.700 -0.016 0.000 1.021 46 T CA 0.451 62.518 62.100 -0.056 0.000 1.042 46 T CB 1.418 70.256 68.868 -0.050 0.000 1.037 46 T HN 1.423 nan 8.240 nan 0.000 0.481 47 L N 4.125 125.357 121.223 0.015 0.000 2.435 47 L HA 0.490 4.830 4.340 -0.000 0.000 0.195 47 L C 1.870 178.767 176.870 0.046 0.000 1.072 47 L CA 0.948 55.809 54.840 0.035 0.000 0.833 47 L CB -0.339 41.755 42.059 0.059 0.000 1.081 47 L HN 0.707 nan 8.230 nan 0.000 0.485 48 L N -0.010 121.254 121.223 0.069 0.000 2.217 48 L HA 0.146 4.486 4.340 -0.000 0.000 0.211 48 L C 1.822 178.723 176.870 0.053 0.000 1.107 48 L CA 0.886 55.771 54.840 0.075 0.000 0.783 48 L CB -0.980 41.150 42.059 0.119 0.000 0.919 48 L HN 0.599 nan 8.230 nan 0.000 0.442 49 G N -0.151 108.670 108.800 0.035 0.000 2.196 49 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.268 49 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.268 49 G C 0.150 175.065 174.900 0.025 0.000 0.975 49 G CA 0.693 45.804 45.100 0.018 0.000 0.648 49 G HN 0.424 nan 8.290 nan 0.000 0.538 50 D N 0.052 120.482 120.400 0.050 0.000 2.420 50 D HA 0.429 5.069 4.640 -0.000 0.000 0.255 50 D C 0.547 176.902 176.300 0.092 0.000 1.185 50 D CA -0.585 53.450 54.000 0.059 0.000 0.904 50 D CB 0.680 41.518 40.800 0.064 0.000 1.102 50 D HN -0.019 nan 8.370 nan 0.000 0.534 51 D N 1.871 122.313 120.400 0.069 0.000 2.310 51 D HA -0.150 4.490 4.640 -0.000 0.000 0.212 51 D C 1.606 177.999 176.300 0.154 0.000 0.965 51 D CA 0.724 54.782 54.000 0.097 0.000 0.879 51 D CB 0.376 41.183 40.800 0.011 0.000 0.921 51 D HN 0.431 nan 8.370 nan 0.000 0.510 52 Q N 0.520 120.392 119.800 0.120 0.000 2.123 52 Q HA -0.028 4.312 4.340 -0.000 0.000 0.199 52 Q C 1.979 178.075 176.000 0.160 0.000 0.966 52 Q CA 0.973 56.857 55.803 0.136 0.000 0.845 52 Q CB -0.199 28.594 28.738 0.091 0.000 0.907 52 Q HN 0.284 nan 8.270 nan 0.000 0.439 53 I N -0.270 120.386 120.570 0.143 0.000 2.179 53 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 53 I C 2.009 178.219 176.117 0.156 0.000 1.088 53 I CA 1.356 62.737 61.300 0.134 0.000 1.357 53 I CB -0.486 37.581 38.000 0.111 0.000 1.051 53 I HN 0.287 nan 8.210 nan 0.000 0.409 54 Y N 2.683 123.034 120.300 0.084 0.000 2.114 54 Y HA -0.330 4.220 4.550 -0.000 0.000 0.282 54 Y C 2.379 178.347 175.900 0.112 0.000 1.165 54 Y CA 1.972 60.127 58.100 0.093 0.000 1.148 54 Y CB -0.399 38.111 38.460 0.084 0.000 0.972 54 Y HN 0.214 nan 8.280 nan 0.000 0.504 55 N N -0.266 118.613 118.700 0.298 0.000 2.289 55 N HA -0.151 4.588 4.740 -0.000 0.000 0.184 55 N C 1.924 177.512 175.510 0.130 0.000 1.016 55 N CA 1.438 54.621 53.050 0.222 0.000 0.872 55 N CB -0.575 38.056 38.487 0.241 0.000 0.973 55 N HN 0.333 nan 8.380 nan 0.000 0.433 56 V N 0.545 120.539 119.914 0.133 0.000 2.307 56 V HA -0.142 3.978 4.120 -0.000 0.000 0.245 56 V C 2.381 178.541 176.094 0.111 0.000 1.045 56 V CA 0.991 63.374 62.300 0.139 0.000 1.024 56 V CB -0.430 31.480 31.823 0.144 0.000 0.651 56 V HN 0.044 nan 8.190 nan 0.000 0.449 57 V N -0.096 119.841 119.914 0.039 0.000 2.255 57 V HA -0.258 3.862 4.120 -0.000 0.000 0.247 57 V C 2.446 178.548 176.094 0.012 0.000 1.051 57 V CA 2.144 64.445 62.300 0.002 0.000 1.018 57 V CB -0.665 31.091 31.823 -0.112 0.000 0.641 57 V HN 0.406 nan 8.190 nan 0.000 0.445 58 V N 0.076 119.935 119.914 -0.093 0.000 2.392 58 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 58 V C 2.528 178.693 176.094 0.119 0.000 1.059 58 V CA 2.654 64.948 62.300 -0.010 0.000 1.051 58 V CB -1.100 30.701 31.823 -0.036 0.000 0.658 58 V HN 0.655 nan 8.190 nan 0.000 0.455 59 T N 0.076 114.702 114.554 0.119 0.000 2.857 59 T HA -0.038 4.312 4.350 -0.000 0.000 0.266 59 T C 2.073 176.908 174.700 0.225 0.000 1.048 59 T CA 1.354 63.532 62.100 0.130 0.000 1.139 59 T CB -0.329 68.656 68.868 0.194 0.000 0.874 59 T HN 0.565 nan 8.240 nan 0.000 0.455 60 A N 1.452 124.450 122.820 0.296 0.000 1.873 60 A HA -0.149 4.171 4.320 -0.000 0.000 0.215 60 A C 1.995 179.769 177.584 0.317 0.000 1.186 60 A CA 2.207 54.468 52.037 0.372 0.000 0.616 60 A CB -1.079 18.101 19.000 0.300 0.000 0.823 60 A HN 0.643 nan 8.150 nan 0.000 0.442 61 H N 0.404 119.556 119.070 0.138 0.000 2.265 61 H HA -0.149 4.407 4.556 -0.000 0.000 0.293 61 H C 2.152 177.506 175.328 0.043 0.000 1.089 61 H CA 2.664 58.769 56.048 0.095 0.000 1.244 61 H CB -0.504 29.301 29.762 0.071 0.000 1.355 61 H HN 0.390 nan 8.280 nan 0.000 0.485 62 A N 0.097 122.851 122.820 -0.110 0.000 1.841 62 A HA -0.161 4.159 4.320 -0.000 0.000 0.216 62 A C 2.355 179.762 177.584 -0.295 0.000 1.199 62 A CA 1.797 53.592 52.037 -0.402 0.000 0.621 62 A CB -1.374 17.324 19.000 -0.503 0.000 0.835 62 A HN 0.470 nan 8.150 nan 0.000 0.445 63 F N 0.048 120.016 119.950 0.031 0.000 2.087 63 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 63 F C 2.542 178.314 175.800 -0.047 0.000 1.100 63 F CA 1.495 59.561 58.000 0.111 0.000 1.226 63 F CB -1.076 38.009 39.000 0.142 0.000 0.983 63 F HN 0.027 nan 8.300 nan 0.000 0.479 64 V N -0.356 119.687 119.914 0.216 0.000 2.237 64 V HA -0.340 3.780 4.120 -0.000 0.000 0.245 64 V C 2.512 178.593 176.094 -0.022 0.000 1.046 64 V CA 1.747 64.145 62.300 0.164 0.000 1.007 64 V CB -0.577 31.403 31.823 0.261 0.000 0.638 64 V HN 0.228 nan 8.190 nan 0.000 0.445 65 M N -0.845 118.677 119.600 -0.131 0.000 2.108 65 M HA -0.132 4.348 4.480 -0.000 0.000 0.261 65 M C 2.132 178.291 176.300 -0.236 0.000 1.066 65 M CA 1.941 57.119 55.300 -0.203 0.000 1.107 65 M CB -1.018 31.374 32.600 -0.345 0.000 1.356 65 M HN 0.303 nan 8.290 nan 0.000 0.406 66 I N -1.499 118.872 120.570 -0.331 0.000 2.235 66 I HA -0.236 3.934 4.170 -0.000 0.000 0.241 66 I C 2.080 177.907 176.117 -0.484 0.000 1.085 66 I CA 1.273 62.286 61.300 -0.479 0.000 1.378 66 I CB -0.440 37.129 38.000 -0.718 0.000 1.076 66 I HN 0.066 nan 8.210 nan 0.000 0.415 67 F N -0.223 119.526 119.950 -0.334 0.000 2.387 67 F HA 0.009 4.536 4.527 -0.000 0.000 0.294 67 F C 1.773 177.352 175.800 -0.369 0.000 1.093 67 F CA 0.908 58.648 58.000 -0.434 0.000 1.420 67 F CB -0.122 38.441 39.000 -0.729 0.000 1.086 67 F HN -0.076 nan 8.300 nan 0.000 0.531 68 F N -2.336 117.691 119.950 0.130 0.000 2.720 68 F HA 0.193 4.720 4.527 -0.000 0.000 0.301 68 F C 1.843 177.658 175.800 0.025 0.000 1.103 68 F CA 0.031 58.068 58.000 0.061 0.000 1.291 68 F CB -0.264 38.440 39.000 -0.494 0.000 1.086 68 F HN -0.093 nan 8.300 nan 0.000 0.592 69 M N -0.467 119.194 119.600 0.101 0.000 2.961 69 M HA 0.106 4.585 4.480 -0.000 0.000 0.224 69 M C 2.072 178.412 176.300 0.067 0.000 1.418 69 M CA 1.089 56.429 55.300 0.066 0.000 1.341 69 M CB -0.462 32.139 32.600 0.002 0.000 1.087 69 M HN -0.086 nan 8.290 nan 0.000 0.554 70 V N 1.922 121.828 119.914 -0.012 0.000 2.223 70 V HA -0.325 3.795 4.120 -0.000 0.000 0.244 70 V C 2.580 178.681 176.094 0.011 0.000 1.045 70 V CA 2.250 64.542 62.300 -0.014 0.000 1.000 70 V CB -0.924 30.843 31.823 -0.094 0.000 0.635 70 V HN 0.511 nan 8.190 nan 0.000 0.445 71 M N -0.370 119.205 119.600 -0.043 0.000 2.108 71 M HA -0.142 4.338 4.480 -0.000 0.000 0.261 71 M C -0.034 176.308 176.300 0.070 0.000 1.066 71 M CA 2.301 57.591 55.300 -0.016 0.000 1.107 71 M CB -1.778 30.784 32.600 -0.063 0.000 1.356 71 M HN 0.296 nan 8.290 nan 0.000 0.406 72 P HA -0.114 nan 4.420 nan 0.000 0.214 72 P C 1.494 178.903 177.300 0.180 0.000 1.163 72 P CA 1.361 64.639 63.100 0.298 0.000 0.883 72 P CB -0.125 31.942 31.700 0.611 0.000 0.788 73 I N -2.130 118.556 120.570 0.194 0.000 2.179 73 I HA -0.257 3.913 4.170 -0.000 0.000 0.242 73 I C 2.441 178.672 176.117 0.190 0.000 1.088 73 I CA 1.711 63.099 61.300 0.147 0.000 1.357 73 I CB -0.532 37.563 38.000 0.159 0.000 1.051 73 I HN -0.069 nan 8.210 nan 0.000 0.409 74 M N 0.121 119.856 119.600 0.226 0.000 2.081 74 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 74 M C 2.313 178.725 176.300 0.188 0.000 1.075 74 M CA 2.022 57.505 55.300 0.306 0.000 1.133 74 M CB -0.264 32.448 32.600 0.186 0.000 1.330 74 M HN 0.125 nan 8.290 nan 0.000 0.414 75 I N -0.867 119.708 120.570 0.008 0.000 2.584 75 I HA 0.009 4.179 4.170 -0.000 0.000 0.255 75 I C 2.467 178.524 176.117 -0.100 0.000 1.145 75 I CA 0.886 62.112 61.300 -0.124 0.000 1.462 75 I CB -0.804 37.112 38.000 -0.139 0.000 1.102 75 I HN 0.300 nan 8.210 nan 0.000 0.433 76 G N 0.878 109.490 108.800 -0.314 0.000 2.456 76 G HA2 -0.021 3.939 3.960 -0.000 0.000 0.213 76 G HA3 -0.021 3.939 3.960 -0.000 0.000 0.213 76 G C 1.624 176.213 174.900 -0.520 0.000 1.215 76 G CA 0.740 45.189 45.100 -1.083 0.000 0.805 76 G HN 0.417 nan 8.290 nan 0.000 0.537 77 G N 0.502 109.203 108.800 -0.165 0.000 2.616 77 G HA2 -0.073 3.887 3.960 -0.000 0.000 0.215 77 G HA3 -0.073 3.887 3.960 -0.000 0.000 0.215 77 G C 1.622 176.518 174.900 -0.007 0.000 1.284 77 G CA 0.762 45.836 45.100 -0.043 0.000 0.823 77 G HN 0.311 nan 8.290 nan 0.000 0.569 78 F N 1.684 121.731 119.950 0.160 0.000 2.171 78 F HA 0.005 4.532 4.527 -0.000 0.000 0.300 78 F C 2.984 178.944 175.800 0.265 0.000 1.090 78 F CA 0.790 58.877 58.000 0.146 0.000 1.293 78 F CB -0.379 38.671 39.000 0.082 0.000 1.013 78 F HN 0.241 nan 8.300 nan 0.000 0.486 79 G N 0.019 109.064 108.800 0.409 0.000 2.446 79 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.217 79 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.217 79 G C 1.641 176.828 174.900 0.478 0.000 1.168 79 G CA 1.081 46.324 45.100 0.238 0.000 0.771 79 G HN 0.236 nan 8.290 nan 0.000 0.551 80 N N -0.251 118.715 118.700 0.443 0.000 2.135 80 N HA -0.075 4.665 4.740 -0.000 0.000 0.186 80 N C 1.936 177.608 175.510 0.270 0.000 1.027 80 N CA 0.779 54.008 53.050 0.299 0.000 0.849 80 N CB -0.324 38.246 38.487 0.139 0.000 1.002 80 N HN 0.552 nan 8.380 nan 0.000 0.425 81 W N 1.767 123.103 121.300 0.061 0.000 2.333 81 W HA -0.070 4.590 4.660 -0.000 0.000 0.316 81 W C 2.128 178.696 176.519 0.082 0.000 1.215 81 W CA 0.886 58.225 57.345 -0.010 0.000 1.278 81 W CB -0.230 29.006 29.460 -0.374 0.000 1.154 81 W HN 0.027 nan 8.180 nan 0.000 0.486 82 L N -1.564 119.868 121.223 0.349 0.000 2.202 82 L HA -0.098 4.242 4.340 -0.000 0.000 0.205 82 L C 2.063 179.030 176.870 0.162 0.000 1.083 82 L CA 0.284 55.215 54.840 0.151 0.000 0.790 82 L CB -1.430 40.535 42.059 -0.157 0.000 0.942 82 L HN -0.190 nan 8.230 nan 0.000 0.452 83 V N 0.801 120.845 119.914 0.217 0.000 2.282 83 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 83 V C -0.050 176.038 176.094 -0.010 0.000 1.057 83 V CA 2.217 64.595 62.300 0.129 0.000 1.032 83 V CB -1.632 30.296 31.823 0.174 0.000 0.645 83 V HN 0.323 nan 8.190 nan 0.000 0.447 84 P HA -0.130 nan 4.420 nan 0.000 0.214 84 P C 1.973 179.139 177.300 -0.225 0.000 1.163 84 P CA 1.433 64.353 63.100 -0.299 0.000 0.883 84 P CB -0.097 31.150 31.700 -0.755 0.000 0.788 85 L N -1.730 119.449 121.223 -0.073 0.000 2.013 85 L HA -0.209 4.131 4.340 -0.000 0.000 0.212 85 L C 2.526 179.358 176.870 -0.064 0.000 1.073 85 L CA 1.789 56.675 54.840 0.076 0.000 0.753 85 L CB -1.064 41.146 42.059 0.251 0.000 0.890 85 L HN -0.012 nan 8.230 nan 0.000 0.432 86 M N -0.157 119.448 119.600 0.009 0.000 2.446 86 M HA -0.125 4.355 4.480 -0.000 0.000 0.263 86 M C 1.711 177.986 176.300 -0.042 0.000 1.066 86 M CA 1.428 56.758 55.300 0.050 0.000 1.087 86 M CB -0.178 32.518 32.600 0.160 0.000 1.406 86 M HN 0.398 nan 8.290 nan 0.000 0.459 87 I N -4.436 116.040 120.570 -0.156 0.000 4.009 87 I HA 0.462 4.632 4.170 -0.000 0.000 0.331 87 I C 0.952 176.869 176.117 -0.334 0.000 1.462 87 I CA 0.033 61.223 61.300 -0.185 0.000 1.117 87 I CB -0.203 37.705 38.000 -0.154 0.000 1.091 87 I HN 0.316 nan 8.210 nan 0.000 0.410 88 G N 2.065 110.479 108.800 -0.643 0.000 2.179 88 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.257 88 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.257 88 G C 0.401 174.822 174.900 -0.799 0.000 1.010 88 G CA 0.209 44.551 45.100 -1.263 0.000 0.736 88 G HN 0.915 nan 8.290 nan 0.000 0.513 89 A N 0.393 122.934 122.820 -0.466 0.000 2.371 89 A HA 0.742 5.062 4.320 -0.000 0.000 0.257 89 A C 0.084 177.643 177.584 -0.042 0.000 1.089 89 A CA -0.577 51.337 52.037 -0.204 0.000 0.794 89 A CB 0.824 19.703 19.000 -0.202 0.000 1.029 89 A HN 0.137 nan 8.150 nan 0.000 0.488 90 P HA -0.043 nan 4.420 nan 0.000 0.219 90 P C 0.151 177.523 177.300 0.119 0.000 1.150 90 P CA 1.245 64.434 63.100 0.149 0.000 0.814 90 P CB 0.307 32.073 31.700 0.110 0.000 0.787 91 D N -3.067 117.321 120.400 -0.020 0.000 2.893 91 D HA 0.112 4.752 4.640 -0.000 0.000 0.346 91 D C -0.554 175.636 176.300 -0.184 0.000 1.402 91 D CA -0.518 53.447 54.000 -0.058 0.000 0.815 91 D CB 0.426 41.264 40.800 0.064 0.000 1.403 91 D HN -0.327 nan 8.370 nan 0.000 0.484 92 M N 1.112 120.597 119.600 -0.192 0.000 2.226 92 M HA 0.262 4.742 4.480 -0.000 0.000 0.324 92 M C 1.383 177.517 176.300 -0.277 0.000 1.112 92 M CA 0.116 55.261 55.300 -0.259 0.000 1.176 92 M CB 0.359 32.794 32.600 -0.276 0.000 1.430 92 M HN 0.603 nan 8.290 nan 0.000 0.462 93 A N 1.803 124.362 122.820 -0.435 0.000 1.933 93 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 93 A C 0.509 177.665 177.584 -0.714 0.000 1.175 93 A CA 1.587 53.213 52.037 -0.685 0.000 0.628 93 A CB -0.269 18.087 19.000 -1.073 0.000 0.814 93 A HN 0.601 nan 8.150 nan 0.000 0.444 94 F N -0.619 119.283 119.950 -0.079 0.000 2.550 94 F HA 0.333 4.860 4.527 -0.000 0.000 0.348 94 F C -1.820 173.942 175.800 -0.064 0.000 1.219 94 F CA -2.925 55.040 58.000 -0.059 0.000 1.203 94 F CB 0.975 39.944 39.000 -0.052 0.000 1.436 94 F HN 0.049 nan 8.300 nan 0.000 0.541 95 P HA -0.197 nan 4.420 nan 0.000 0.223 95 P C 1.617 178.937 177.300 0.032 0.000 1.144 95 P CA 1.290 64.395 63.100 0.009 0.000 0.783 95 P CB 0.480 32.180 31.700 -0.001 0.000 0.771 96 R N -0.633 119.907 120.500 0.067 0.000 2.075 96 R HA 0.139 4.479 4.340 -0.000 0.000 0.220 96 R C 2.547 178.886 176.300 0.065 0.000 1.118 96 R CA 0.578 56.711 56.100 0.055 0.000 0.986 96 R CB -0.668 29.654 30.300 0.037 0.000 0.884 96 R HN -0.006 nan 8.270 nan 0.000 0.439 97 M N 1.224 120.869 119.600 0.075 0.000 2.202 97 M HA -0.208 4.272 4.480 -0.000 0.000 0.262 97 M C 1.632 177.980 176.300 0.079 0.000 1.063 97 M CA 1.916 57.253 55.300 0.063 0.000 1.097 97 M CB -0.217 32.414 32.600 0.052 0.000 1.382 97 M HN 0.131 nan 8.290 nan 0.000 0.413 98 N N 0.758 119.503 118.700 0.074 0.000 2.205 98 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 98 N C 1.315 176.874 175.510 0.081 0.000 1.015 98 N CA 1.724 54.806 53.050 0.055 0.000 0.862 98 N CB -0.372 38.108 38.487 -0.012 0.000 0.986 98 N HN 0.411 nan 8.380 nan 0.000 0.429 99 N N -0.124 118.627 118.700 0.087 0.000 2.270 99 N HA -0.062 4.678 4.740 -0.000 0.000 0.181 99 N C 1.634 177.269 175.510 0.208 0.000 1.016 99 N CA 0.746 53.876 53.050 0.133 0.000 0.870 99 N CB -0.208 38.397 38.487 0.197 0.000 0.979 99 N HN 0.396 nan 8.380 nan 0.000 0.431 100 M N -0.504 119.200 119.600 0.175 0.000 2.175 100 M HA -0.036 4.444 4.480 -0.000 0.000 0.264 100 M C 1.792 178.152 176.300 0.100 0.000 1.063 100 M CA 1.118 56.519 55.300 0.168 0.000 1.119 100 M CB -0.051 32.612 32.600 0.105 0.000 1.377 100 M HN -0.022 nan 8.290 nan 0.000 0.415 101 S N 0.273 116.031 115.700 0.097 0.000 2.383 101 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 101 S C 1.508 176.122 174.600 0.023 0.000 1.030 101 S CA 1.589 59.856 58.200 0.112 0.000 1.002 101 S CB -0.579 62.738 63.200 0.196 0.000 0.829 101 S HN 0.630 nan 8.310 nan 0.000 0.467 102 F N 0.725 120.530 119.950 -0.242 0.000 2.084 102 F HA -0.027 4.500 4.527 -0.000 0.000 0.296 102 F C 1.700 177.126 175.800 -0.623 0.000 1.111 102 F CA 1.067 58.617 58.000 -0.751 0.000 1.224 102 F CB -0.648 37.622 39.000 -1.217 0.000 0.991 102 F HN 0.222 nan 8.300 nan 0.000 0.471 103 W N 0.568 121.661 121.300 -0.345 0.000 2.421 103 W HA -0.100 4.560 4.660 -0.000 0.000 0.270 103 W C 2.115 178.437 176.519 -0.327 0.000 1.233 103 W CA 0.518 57.652 57.345 -0.352 0.000 1.226 103 W CB -0.483 28.932 29.460 -0.074 0.000 1.121 103 W HN 0.042 nan 8.180 nan 0.000 0.579 104 L N -0.091 121.077 121.223 -0.093 0.000 2.362 104 L HA -0.185 4.155 4.340 -0.000 0.000 0.219 104 L C 2.047 178.853 176.870 -0.106 0.000 1.134 104 L CA 0.743 55.557 54.840 -0.043 0.000 0.807 104 L CB -0.462 41.601 42.059 0.007 0.000 0.927 104 L HN 0.116 nan 8.230 nan 0.000 0.447 105 L N -0.458 120.554 121.223 -0.352 0.000 2.072 105 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 105 L C -0.203 176.521 176.870 -0.242 0.000 1.079 105 L CA 1.010 55.621 54.840 -0.382 0.000 0.752 105 L CB -1.813 39.690 42.059 -0.928 0.000 0.906 105 L HN 0.188 nan 8.230 nan 0.000 0.436 106 P HA -0.082 nan 4.420 nan 0.000 0.217 106 P C -1.377 175.970 177.300 0.078 0.000 1.150 106 P CA 1.415 64.555 63.100 0.066 0.000 0.832 106 P CB -0.834 30.917 31.700 0.085 0.000 0.787 107 P HA -0.118 nan 4.420 nan 0.000 0.215 107 P C 1.960 179.307 177.300 0.079 0.000 1.157 107 P CA 1.628 64.755 63.100 0.047 0.000 0.859 107 P CB -0.445 31.275 31.700 0.034 0.000 0.786 108 S N -1.641 114.119 115.700 0.101 0.000 2.374 108 S HA -0.205 4.265 4.470 -0.000 0.000 0.227 108 S C 1.791 176.525 174.600 0.223 0.000 1.037 108 S CA 1.209 59.525 58.200 0.193 0.000 1.024 108 S CB -1.110 62.261 63.200 0.285 0.000 0.861 108 S HN 0.060 nan 8.310 nan 0.000 0.456 109 F N 0.669 120.475 119.950 -0.241 0.000 2.186 109 F HA -0.071 4.456 4.527 -0.000 0.000 0.299 109 F C 2.067 177.786 175.800 -0.136 0.000 1.090 109 F CA 0.777 58.451 58.000 -0.544 0.000 1.307 109 F CB -0.100 38.516 39.000 -0.639 0.000 1.019 109 F HN 0.295 nan 8.300 nan 0.000 0.489 110 L N 1.021 122.280 121.223 0.060 0.000 1.989 110 L HA -0.250 4.090 4.340 -0.000 0.000 0.211 110 L C 2.090 178.988 176.870 0.047 0.000 1.071 110 L CA 1.728 56.562 54.840 -0.010 0.000 0.749 110 L CB -0.953 41.106 42.059 0.000 0.000 0.890 110 L HN 0.145 nan 8.230 nan 0.000 0.431 111 L N -1.137 120.143 121.223 0.095 0.000 2.043 111 L HA -0.286 4.054 4.340 -0.000 0.000 0.212 111 L C 2.594 179.548 176.870 0.140 0.000 1.075 111 L CA 1.812 56.723 54.840 0.117 0.000 0.752 111 L CB -0.597 41.550 42.059 0.147 0.000 0.891 111 L HN 0.413 nan 8.230 nan 0.000 0.432 112 L N -0.429 120.916 121.223 0.204 0.000 1.994 112 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 112 L C 2.457 179.444 176.870 0.195 0.000 1.071 112 L CA 1.393 56.377 54.840 0.241 0.000 0.745 112 L CB -0.133 42.210 42.059 0.474 0.000 0.892 112 L HN 0.136 nan 8.230 nan 0.000 0.431 113 L N -0.523 120.781 121.223 0.136 0.000 2.131 113 L HA -0.203 4.137 4.340 -0.000 0.000 0.210 113 L C 2.695 179.602 176.870 0.061 0.000 1.092 113 L CA 0.977 55.852 54.840 0.059 0.000 0.759 113 L CB -0.771 41.240 42.059 -0.081 0.000 0.903 113 L HN 0.397 nan 8.230 nan 0.000 0.435 114 A N -0.029 122.828 122.820 0.063 0.000 1.898 114 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 114 A C 2.531 180.163 177.584 0.080 0.000 1.181 114 A CA 1.725 53.798 52.037 0.061 0.000 0.620 114 A CB -0.713 18.321 19.000 0.057 0.000 0.819 114 A HN 0.487 nan 8.150 nan 0.000 0.442 115 S N 0.669 116.429 115.700 0.100 0.000 2.419 115 S HA -0.187 4.283 4.470 -0.000 0.000 0.235 115 S C 2.035 176.702 174.600 0.112 0.000 1.019 115 S CA 2.040 60.305 58.200 0.107 0.000 0.982 115 S CB -0.778 62.487 63.200 0.108 0.000 0.789 115 S HN 0.939 nan 8.310 nan 0.000 0.490 116 S N 0.652 116.421 115.700 0.115 0.000 2.446 116 S HA 0.161 4.631 4.470 -0.000 0.000 0.225 116 S C 1.941 176.594 174.600 0.088 0.000 1.016 116 S CA 0.482 58.751 58.200 0.115 0.000 0.943 116 S CB -0.389 62.886 63.200 0.125 0.000 0.786 116 S HN 0.350 nan 8.310 nan 0.000 0.508 117 M N 2.299 121.943 119.600 0.073 0.000 2.123 117 M HA 0.192 4.672 4.480 -0.000 0.000 0.263 117 M C 1.323 177.655 176.300 0.053 0.000 1.069 117 M CA 0.745 56.078 55.300 0.056 0.000 1.133 117 M CB -1.170 31.457 32.600 0.044 0.000 1.356 117 M HN 0.438 nan 8.290 nan 0.000 0.415 118 V N -0.309 119.640 119.914 0.058 0.000 2.834 118 V HA 0.245 4.365 4.120 -0.000 0.000 0.301 118 V C 0.865 176.993 176.094 0.057 0.000 1.066 118 V CA -0.884 61.448 62.300 0.053 0.000 1.052 118 V CB 0.891 32.747 31.823 0.055 0.000 1.021 118 V HN 0.624 nan 8.190 nan 0.000 0.480 119 E N 2.658 122.884 120.200 0.045 0.000 3.304 119 E HA -0.340 4.010 4.350 -0.000 0.000 0.365 119 E C 0.874 177.497 176.600 0.039 0.000 1.512 119 E CA 2.181 58.603 56.400 0.037 0.000 1.642 119 E CB -1.761 27.963 29.700 0.039 0.000 1.738 119 E HN 1.605 nan 8.360 nan 0.000 0.483 120 A N 1.490 124.334 122.820 0.039 0.000 2.564 120 A HA 0.534 4.854 4.320 -0.000 0.000 0.279 120 A C 0.889 178.528 177.584 0.090 0.000 1.232 120 A CA 1.496 53.560 52.037 0.046 0.000 0.950 120 A CB 0.121 19.126 19.000 0.009 0.000 1.138 120 A HN 1.439 nan 8.150 nan 0.000 0.526 121 G N -0.874 107.991 108.800 0.108 0.000 2.796 121 G HA2 0.307 4.267 3.960 -0.000 0.000 0.226 121 G HA3 0.307 4.267 3.960 -0.000 0.000 0.226 121 G C 0.095 175.132 174.900 0.229 0.000 1.381 121 G CA -0.305 44.884 45.100 0.149 0.000 0.867 121 G HN 1.779 nan 8.290 nan 0.000 0.552 122 A N 0.151 123.103 122.820 0.221 0.000 2.412 122 A HA 0.747 5.067 4.320 -0.000 0.000 0.334 122 A C 0.786 178.466 177.584 0.160 0.000 1.419 122 A CA 0.808 52.967 52.037 0.203 0.000 0.930 122 A CB 0.505 19.578 19.000 0.122 0.000 1.149 122 A HN 2.312 nan 8.150 nan 0.000 0.515 123 G N 1.481 110.418 108.800 0.228 0.000 4.126 123 G HA2 0.359 4.319 3.960 -0.000 0.000 0.282 123 G HA3 0.359 4.319 3.960 -0.000 0.000 0.282 123 G C 0.711 175.616 174.900 0.008 0.000 1.221 123 G CA 0.525 45.721 45.100 0.161 0.000 1.527 123 G HN 0.773 nan 8.290 nan 0.000 0.612 124 T N -2.736 111.740 114.554 -0.129 0.000 3.001 124 T HA 0.486 4.836 4.350 -0.000 0.000 0.251 124 T C 1.150 175.764 174.700 -0.142 0.000 1.040 124 T CA 0.458 62.432 62.100 -0.211 0.000 0.985 124 T CB 0.612 69.285 68.868 -0.325 0.000 1.011 124 T HN 1.544 nan 8.240 nan 0.000 0.509 125 G N 1.684 110.441 108.800 -0.071 0.000 2.712 125 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.686 125 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.686 125 G C 0.173 174.949 174.900 -0.206 0.000 1.181 125 G CA -0.296 44.735 45.100 -0.116 0.000 0.762 125 G HN 0.611 nan 8.290 nan 0.000 0.641 126 W N 1.338 122.384 121.300 -0.422 0.000 2.747 126 W HA -0.042 4.618 4.660 -0.000 0.000 0.244 126 W C 1.240 177.497 176.519 -0.436 0.000 1.270 126 W CA 1.779 58.651 57.345 -0.788 0.000 1.333 126 W CB -1.379 27.470 29.460 -1.019 0.000 1.139 126 W HN 0.969 nan 8.180 nan 0.000 0.662 127 T N -1.328 112.543 114.554 -1.139 0.000 3.051 127 T HA 0.086 4.436 4.350 -0.000 0.000 0.255 127 T C 1.091 175.220 174.700 -0.951 0.000 1.085 127 T CA 0.574 61.671 62.100 -1.671 0.000 1.109 127 T CB -0.697 67.214 68.868 -1.596 0.000 0.921 127 T HN 0.074 nan 8.240 nan 0.000 0.488 128 V N 1.610 121.237 119.914 -0.477 0.000 5.830 128 V HA -0.224 3.896 4.120 -0.000 0.000 0.274 128 V C -0.080 175.914 176.094 -0.167 0.000 0.632 128 V CA 0.251 62.417 62.300 -0.222 0.000 0.594 128 V CB -2.652 29.120 31.823 -0.085 0.000 0.249 128 V HN 0.673 nan 8.190 nan 0.000 0.697 129 Y N 2.524 122.642 120.300 -0.302 0.000 2.359 129 Y HA 0.323 4.873 4.550 -0.000 0.000 0.330 129 Y C -0.985 174.711 175.900 -0.340 0.000 1.143 129 Y CA -2.157 55.767 58.100 -0.294 0.000 1.318 129 Y CB 1.394 39.773 38.460 -0.135 0.000 1.234 129 Y HN 0.294 nan 8.280 nan 0.000 0.522 130 P HA 0.151 nan 4.420 nan 0.000 0.279 130 P C -2.444 174.829 177.300 -0.044 0.000 1.252 130 P CA -1.927 61.062 63.100 -0.186 0.000 0.811 130 P CB 1.335 32.900 31.700 -0.225 0.000 1.035 131 P HA 0.023 nan 4.420 nan 0.000 0.231 131 P C 1.565 178.891 177.300 0.044 0.000 1.168 131 P CA 0.177 63.298 63.100 0.035 0.000 0.779 131 P CB -0.118 31.616 31.700 0.056 0.000 0.844 132 L N 0.296 121.550 121.223 0.051 0.000 2.189 132 L HA -0.110 4.230 4.340 -0.000 0.000 0.214 132 L C 1.952 178.850 176.870 0.047 0.000 1.097 132 L CA 1.952 56.839 54.840 0.078 0.000 0.764 132 L CB -1.289 40.808 42.059 0.063 0.000 0.900 132 L HN -0.054 nan 8.230 nan 0.000 0.436 133 A N -1.054 121.736 122.820 -0.050 0.000 2.238 133 A HA 0.415 4.735 4.320 -0.000 0.000 0.210 133 A C 1.425 179.001 177.584 -0.014 0.000 1.179 133 A CA 0.333 52.308 52.037 -0.103 0.000 0.827 133 A CB -1.065 17.813 19.000 -0.203 0.000 0.856 133 A HN 0.455 nan 8.150 nan 0.000 0.488 134 G N 0.244 109.057 108.800 0.020 0.000 2.667 134 G HA2 0.232 4.192 3.960 -0.000 0.000 0.250 134 G HA3 0.232 4.192 3.960 -0.000 0.000 0.250 134 G C 0.600 175.542 174.900 0.070 0.000 1.212 134 G CA 0.169 45.295 45.100 0.044 0.000 0.874 134 G HN 0.493 nan 8.290 nan 0.000 0.561 135 N N -0.399 118.333 118.700 0.054 0.000 2.585 135 N HA -0.100 4.640 4.740 -0.000 0.000 0.188 135 N C 1.537 177.073 175.510 0.043 0.000 1.102 135 N CA 1.055 54.135 53.050 0.050 0.000 0.920 135 N CB -0.043 38.467 38.487 0.038 0.000 0.963 135 N HN 0.341 nan 8.380 nan 0.000 0.447 136 L N -0.907 120.343 121.223 0.046 0.000 2.349 136 L HA 0.477 4.817 4.340 -0.000 0.000 0.200 136 L C 2.048 178.939 176.870 0.035 0.000 1.064 136 L CA 0.999 55.860 54.840 0.035 0.000 0.821 136 L CB -0.733 41.346 42.059 0.032 0.000 1.027 136 L HN 0.130 nan 8.230 nan 0.000 0.476 137 A N -2.014 120.843 122.820 0.062 0.000 2.123 137 A HA 0.018 4.338 4.320 -0.000 0.000 0.214 137 A C 0.273 177.890 177.584 0.056 0.000 1.152 137 A CA 0.666 52.746 52.037 0.072 0.000 0.728 137 A CB -0.597 18.472 19.000 0.115 0.000 0.814 137 A HN 0.599 nan 8.150 nan 0.000 0.464 138 H N -0.791 118.291 119.070 0.020 0.000 2.439 138 H HA 0.557 5.113 4.556 -0.000 0.000 0.228 138 H C -0.074 175.267 175.328 0.021 0.000 1.423 138 H CA -0.157 55.904 56.048 0.023 0.000 1.386 138 H CB 0.432 30.206 29.762 0.019 0.000 1.641 138 H HN 0.381 nan 8.280 nan 0.000 0.508 139 A N 1.274 124.096 122.820 0.002 0.000 2.388 139 A HA 0.662 4.982 4.320 -0.000 0.000 0.257 139 A C 0.902 178.498 177.584 0.020 0.000 1.095 139 A CA 0.657 52.705 52.037 0.018 0.000 0.791 139 A CB -0.005 18.996 19.000 0.002 0.000 1.029 139 A HN 0.861 nan 8.150 nan 0.000 0.489 140 G N -0.588 108.235 108.800 0.038 0.000 2.384 140 G HA2 0.415 4.375 3.960 -0.000 0.000 0.668 140 G HA3 0.415 4.375 3.960 -0.000 0.000 0.668 140 G C 0.648 175.587 174.900 0.065 0.000 1.280 140 G CA 0.101 45.228 45.100 0.045 0.000 0.992 140 G HN 1.818 nan 8.290 nan 0.000 0.512 141 A N -0.300 122.562 122.820 0.070 0.000 1.898 141 A HA 0.217 4.537 4.320 -0.000 0.000 0.216 141 A C 2.802 180.445 177.584 0.098 0.000 1.181 141 A CA 2.863 54.954 52.037 0.089 0.000 0.620 141 A CB -1.037 18.015 19.000 0.088 0.000 0.819 141 A HN 1.819 nan 8.150 nan 0.000 0.442 142 S N -0.549 115.212 115.700 0.102 0.000 2.433 142 S HA -0.288 4.182 4.470 -0.000 0.000 0.276 142 S C 1.833 176.495 174.600 0.103 0.000 1.122 142 S CA 2.075 60.346 58.200 0.119 0.000 1.277 142 S CB -0.951 62.345 63.200 0.160 0.000 1.198 142 S HN 0.381 nan 8.310 nan 0.000 0.440 143 V N 2.238 122.214 119.914 0.103 0.000 2.490 143 V HA -0.162 3.958 4.120 -0.000 0.000 0.250 143 V C 2.010 178.090 176.094 -0.023 0.000 1.061 143 V CA 1.882 64.202 62.300 0.034 0.000 1.064 143 V CB -0.660 31.177 31.823 0.024 0.000 0.670 143 V HN 0.479 nan 8.190 nan 0.000 0.461 144 D N -0.193 120.206 120.400 -0.001 0.000 2.144 144 D HA -0.103 4.537 4.640 -0.000 0.000 0.200 144 D C 2.157 178.457 176.300 -0.000 0.000 0.978 144 D CA 1.050 55.006 54.000 -0.074 0.000 0.833 144 D CB 0.042 40.852 40.800 0.018 0.000 0.961 144 D HN 0.362 nan 8.370 nan 0.000 0.470 145 L N 0.823 122.130 121.223 0.140 0.000 2.046 145 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 145 L C 2.637 179.583 176.870 0.126 0.000 1.077 145 L CA 1.072 56.045 54.840 0.222 0.000 0.747 145 L CB -0.622 41.530 42.059 0.156 0.000 0.896 145 L HN -0.010 nan 8.230 nan 0.000 0.432 146 T N 0.219 114.781 114.554 0.013 0.000 2.708 146 T HA -0.171 4.179 4.350 -0.000 0.000 0.266 146 T C 1.899 176.486 174.700 -0.190 0.000 1.037 146 T CA 1.459 63.489 62.100 -0.116 0.000 1.146 146 T CB -0.253 68.535 68.868 -0.132 0.000 0.865 146 T HN 0.187 nan 8.240 nan 0.000 0.435 147 I N 0.175 120.632 120.570 -0.189 0.000 2.264 147 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 147 I C 2.012 178.033 176.117 -0.161 0.000 1.111 147 I CA 1.337 62.481 61.300 -0.261 0.000 1.382 147 I CB -0.393 37.405 38.000 -0.337 0.000 1.060 147 I HN 0.149 nan 8.210 nan 0.000 0.418 148 F N 0.308 120.296 119.950 0.063 0.000 2.113 148 F HA -0.199 4.327 4.527 -0.000 0.000 0.297 148 F C 2.943 178.778 175.800 0.059 0.000 1.103 148 F CA 1.490 59.572 58.000 0.137 0.000 1.248 148 F CB -1.185 37.864 39.000 0.081 0.000 0.999 148 F HN -0.021 nan 8.300 nan 0.000 0.475 149 S N 0.344 116.152 115.700 0.179 0.000 2.372 149 S HA -0.214 4.256 4.470 -0.000 0.000 0.227 149 S C 2.159 176.742 174.600 -0.029 0.000 1.044 149 S CA 1.523 59.783 58.200 0.099 0.000 1.050 149 S CB -0.507 62.718 63.200 0.041 0.000 0.901 149 S HN 0.336 nan 8.310 nan 0.000 0.447 150 L N -0.223 120.868 121.223 -0.221 0.000 2.141 150 L HA -0.061 4.279 4.340 -0.000 0.000 0.209 150 L C 2.373 179.112 176.870 -0.220 0.000 1.094 150 L CA 1.516 56.122 54.840 -0.391 0.000 0.763 150 L CB -0.703 41.048 42.059 -0.513 0.000 0.908 150 L HN 0.425 nan 8.230 nan 0.000 0.437 151 H N -0.298 118.743 119.070 -0.048 0.000 2.353 151 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 151 H C 2.327 177.674 175.328 0.030 0.000 1.090 151 H CA 1.302 57.357 56.048 0.011 0.000 1.327 151 H CB 0.138 29.965 29.762 0.108 0.000 1.383 151 H HN 0.160 nan 8.280 nan 0.000 0.508 152 L N -0.192 121.140 121.223 0.182 0.000 1.976 152 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 152 L C 2.829 179.764 176.870 0.109 0.000 1.071 152 L CA 1.055 55.972 54.840 0.129 0.000 0.746 152 L CB -0.795 41.337 42.059 0.123 0.000 0.890 152 L HN 0.357 nan 8.230 nan 0.000 0.432 153 A N 0.478 123.359 122.820 0.101 0.000 1.917 153 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 153 A C 2.364 180.025 177.584 0.128 0.000 1.182 153 A CA 2.044 54.158 52.037 0.128 0.000 0.633 153 A CB -1.298 17.711 19.000 0.016 0.000 0.819 153 A HN 0.504 nan 8.150 nan 0.000 0.448 154 G N -0.784 108.054 108.800 0.064 0.000 2.404 154 G HA2 -0.082 3.878 3.960 -0.000 0.000 0.215 154 G HA3 -0.082 3.878 3.960 -0.000 0.000 0.215 154 G C 1.504 176.462 174.900 0.097 0.000 1.174 154 G CA 1.205 46.348 45.100 0.071 0.000 0.780 154 G HN 0.347 nan 8.290 nan 0.000 0.537 155 V N 0.990 120.963 119.914 0.098 0.000 2.343 155 V HA -0.190 3.930 4.120 -0.000 0.000 0.247 155 V C 3.034 179.186 176.094 0.097 0.000 1.051 155 V CA 2.162 64.516 62.300 0.091 0.000 1.036 155 V CB -0.486 31.386 31.823 0.081 0.000 0.654 155 V HN 0.503 nan 8.190 nan 0.000 0.451 156 S N 0.094 115.858 115.700 0.106 0.000 2.359 156 S HA -0.249 4.221 4.470 -0.000 0.000 0.223 156 S C 2.196 176.887 174.600 0.151 0.000 1.039 156 S CA 2.451 60.722 58.200 0.119 0.000 1.042 156 S CB -0.352 62.918 63.200 0.117 0.000 0.915 156 S HN 0.622 nan 8.310 nan 0.000 0.439 157 S N 1.006 116.803 115.700 0.162 0.000 2.387 157 S HA 0.109 4.579 4.470 -0.000 0.000 0.226 157 S C 1.785 176.477 174.600 0.154 0.000 1.026 157 S CA 1.237 59.539 58.200 0.170 0.000 0.972 157 S CB -0.427 62.882 63.200 0.182 0.000 0.814 157 S HN 0.539 nan 8.310 nan 0.000 0.477 158 I N 1.535 122.184 120.570 0.133 0.000 2.226 158 I HA -0.171 3.999 4.170 -0.000 0.000 0.245 158 I C 2.099 178.284 176.117 0.114 0.000 1.100 158 I CA 1.039 62.410 61.300 0.118 0.000 1.374 158 I CB -0.350 37.707 38.000 0.095 0.000 1.057 158 I HN 0.224 nan 8.210 nan 0.000 0.413 159 L N 0.196 121.482 121.223 0.106 0.000 1.994 159 L HA -0.139 4.201 4.340 -0.000 0.000 0.208 159 L C 2.687 179.627 176.870 0.118 0.000 1.071 159 L CA 1.711 56.608 54.840 0.095 0.000 0.745 159 L CB -1.281 40.825 42.059 0.080 0.000 0.892 159 L HN 0.343 nan 8.230 nan 0.000 0.431 160 G N -0.556 108.328 108.800 0.141 0.000 2.462 160 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.220 160 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.220 160 G C 1.704 176.744 174.900 0.235 0.000 1.121 160 G CA 0.881 46.076 45.100 0.158 0.000 0.758 160 G HN 0.494 nan 8.290 nan 0.000 0.559 161 A N 0.736 123.685 122.820 0.215 0.000 1.897 161 A HA 0.143 4.463 4.320 -0.000 0.000 0.215 161 A C 2.332 180.029 177.584 0.187 0.000 1.181 161 A CA 1.045 53.212 52.037 0.218 0.000 0.620 161 A CB -0.268 18.828 19.000 0.161 0.000 0.821 161 A HN 0.356 nan 8.150 nan 0.000 0.443 162 I N 0.087 120.750 120.570 0.155 0.000 2.361 162 I HA -0.232 3.938 4.170 -0.000 0.000 0.251 162 I C 2.344 178.577 176.117 0.194 0.000 1.133 162 I CA 1.031 62.427 61.300 0.159 0.000 1.413 162 I CB -0.365 37.716 38.000 0.135 0.000 1.073 162 I HN 0.301 nan 8.210 nan 0.000 0.424 163 N N 1.034 119.822 118.700 0.147 0.000 2.092 163 N HA -0.112 4.628 4.740 -0.000 0.000 0.189 163 N C 1.868 177.319 175.510 -0.098 0.000 1.040 163 N CA 1.610 54.667 53.050 0.013 0.000 0.845 163 N CB -0.328 38.072 38.487 -0.144 0.000 1.017 163 N HN 0.221 nan 8.380 nan 0.000 0.426 164 F N 0.993 120.931 119.950 -0.020 0.000 2.134 164 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 164 F C 2.265 178.016 175.800 -0.082 0.000 1.097 164 F CA 0.623 58.581 58.000 -0.070 0.000 1.264 164 F CB -0.161 38.799 39.000 -0.067 0.000 1.001 164 F HN 0.028 nan 8.300 nan 0.000 0.479 165 I N -0.621 120.041 120.570 0.155 0.000 2.226 165 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 165 I C 2.286 178.406 176.117 0.005 0.000 1.100 165 I CA 1.483 62.819 61.300 0.061 0.000 1.374 165 I CB -0.786 37.257 38.000 0.071 0.000 1.057 165 I HN 0.105 nan 8.210 nan 0.000 0.413 166 T N 0.122 114.677 114.554 0.001 0.000 2.674 166 T HA -0.175 4.175 4.350 -0.000 0.000 0.265 166 T C 1.924 176.530 174.700 -0.156 0.000 1.039 166 T CA 2.147 64.205 62.100 -0.069 0.000 1.150 166 T CB -0.493 68.317 68.868 -0.098 0.000 0.864 166 T HN 0.370 nan 8.240 nan 0.000 0.427 167 T N 2.476 116.912 114.554 -0.197 0.000 2.624 167 T HA -0.093 4.257 4.350 -0.000 0.000 0.268 167 T C 1.984 176.598 174.700 -0.144 0.000 1.041 167 T CA 1.399 63.377 62.100 -0.202 0.000 1.159 167 T CB -0.580 68.175 68.868 -0.189 0.000 0.863 167 T HN 0.339 nan 8.240 nan 0.000 0.434 168 I N 0.376 120.885 120.570 -0.102 0.000 2.394 168 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 168 I C 1.966 177.979 176.117 -0.174 0.000 1.136 168 I CA 0.774 61.990 61.300 -0.139 0.000 1.425 168 I CB -0.299 37.616 38.000 -0.141 0.000 1.079 168 I HN 0.198 nan 8.210 nan 0.000 0.425 169 I N 0.376 120.861 120.570 -0.142 0.000 2.585 169 I HA -0.125 4.045 4.170 -0.000 0.000 0.254 169 I C 2.123 178.169 176.117 -0.119 0.000 1.129 169 I CA 1.359 62.577 61.300 -0.137 0.000 1.455 169 I CB -1.347 36.597 38.000 -0.094 0.000 1.111 169 I HN 0.281 nan 8.210 nan 0.000 0.433 170 N N 0.620 119.251 118.700 -0.115 0.000 2.432 170 N HA 0.045 4.785 4.740 -0.000 0.000 0.174 170 N C 1.180 176.621 175.510 -0.114 0.000 1.037 170 N CA 0.589 53.576 53.050 -0.106 0.000 0.892 170 N CB 0.171 38.594 38.487 -0.107 0.000 1.049 170 N HN 0.105 nan 8.380 nan 0.000 0.442 171 M N 0.557 120.076 119.600 -0.135 0.000 2.738 171 M HA 0.224 4.704 4.480 -0.000 0.000 0.295 171 M C -0.612 175.608 176.300 -0.133 0.000 1.266 171 M CA -0.112 55.108 55.300 -0.133 0.000 0.985 171 M CB 0.552 33.060 32.600 -0.153 0.000 1.365 171 M HN -0.097 nan 8.290 nan 0.000 0.492 172 K N 0.642 120.966 120.400 -0.127 0.000 2.106 172 K HA 0.514 4.834 4.320 -0.000 0.000 0.246 172 K C -2.482 174.054 176.600 -0.106 0.000 0.987 172 K CA -1.857 54.353 56.287 -0.127 0.000 0.904 172 K CB 0.279 32.703 32.500 -0.127 0.000 1.071 172 K HN -0.143 nan 8.250 nan 0.000 0.453 173 P HA -0.018 nan 4.420 nan 0.000 0.262 173 P C -2.139 175.114 177.300 -0.079 0.000 1.182 173 P CA -0.777 62.273 63.100 -0.084 0.000 0.761 173 P CB 0.136 31.788 31.700 -0.080 0.000 0.795 174 P HA -0.264 nan 4.420 nan 0.000 0.218 174 P C 1.006 178.267 177.300 -0.065 0.000 1.150 174 P CA 1.926 64.986 63.100 -0.066 0.000 0.841 174 P CB -0.130 31.533 31.700 -0.062 0.000 0.784 175 A N -1.633 121.142 122.820 -0.076 0.000 2.030 175 A HA 0.064 4.384 4.320 -0.000 0.000 0.215 175 A C 1.304 178.859 177.584 -0.049 0.000 1.164 175 A CA 0.043 52.039 52.037 -0.067 0.000 0.697 175 A CB -0.847 18.097 19.000 -0.093 0.000 0.827 175 A HN 0.178 nan 8.150 nan 0.000 0.457 176 M N 2.215 121.783 119.600 -0.054 0.000 2.184 176 M HA 0.264 4.744 4.480 -0.000 0.000 0.351 176 M C 0.381 176.651 176.300 -0.050 0.000 1.395 176 M CA -0.122 55.153 55.300 -0.042 0.000 1.117 176 M CB 0.479 33.049 32.600 -0.049 0.000 1.708 176 M HN 0.418 nan 8.290 nan 0.000 0.468 177 S N 3.437 119.122 115.700 -0.024 0.000 2.681 177 S HA 0.194 4.664 4.470 -0.000 0.000 0.270 177 S C 0.665 175.204 174.600 -0.102 0.000 1.209 177 S CA -0.578 57.588 58.200 -0.056 0.000 0.988 177 S CB 1.477 64.685 63.200 0.013 0.000 1.006 177 S HN 0.840 nan 8.310 nan 0.000 0.558 178 Q N -0.077 119.564 119.800 -0.265 0.000 2.181 178 Q HA -0.046 4.294 4.340 -0.000 0.000 0.205 178 Q C 0.597 176.605 176.000 0.013 0.000 0.980 178 Q CA 1.825 57.410 55.803 -0.363 0.000 0.862 178 Q CB -0.708 27.689 28.738 -0.569 0.000 0.905 178 Q HN 0.859 nan 8.270 nan 0.000 0.429 179 Y N -0.676 119.862 120.300 0.397 0.000 2.471 179 Y HA 0.185 4.735 4.550 -0.000 0.000 0.321 179 Y C 0.869 176.954 175.900 0.308 0.000 1.195 179 Y CA 0.199 58.637 58.100 0.563 0.000 1.272 179 Y CB -0.048 38.648 38.460 0.395 0.000 1.097 179 Y HN 0.116 nan 8.280 nan 0.000 0.507 180 Q N -0.586 119.398 119.800 0.306 0.000 2.127 180 Q HA 0.115 4.455 4.340 -0.000 0.000 0.222 180 Q C 0.294 176.386 176.000 0.152 0.000 0.794 180 Q CA -0.097 55.777 55.803 0.118 0.000 1.010 180 Q CB 0.899 29.669 28.738 0.054 0.000 1.170 180 Q HN 0.311 nan 8.270 nan 0.000 0.479 181 T N -1.842 112.869 114.554 0.262 0.000 2.909 181 T HA 0.577 4.927 4.350 -0.000 0.000 0.286 181 T C -2.511 172.464 174.700 0.459 0.000 1.002 181 T CA -2.105 60.114 62.100 0.197 0.000 1.074 181 T CB 1.493 70.322 68.868 -0.064 0.000 0.984 181 T HN -0.226 nan 8.240 nan 0.000 0.495 182 P HA 0.162 nan 4.420 nan 0.000 0.270 182 P C 0.997 178.711 177.300 0.691 0.000 1.227 182 P CA -0.471 62.972 63.100 0.573 0.000 0.788 182 P CB 0.464 32.512 31.700 0.580 0.000 0.926 183 L N -0.024 121.669 121.223 0.783 0.000 2.056 183 L HA -0.142 4.198 4.340 -0.000 0.000 0.207 183 L C 2.205 179.382 176.870 0.511 0.000 1.078 183 L CA 1.334 56.537 54.840 0.606 0.000 0.749 183 L CB -0.602 41.752 42.059 0.492 0.000 0.901 183 L HN 0.353 nan 8.230 nan 0.000 0.433 184 F N 0.268 120.367 119.950 0.248 0.000 2.202 184 F HA -0.194 4.333 4.527 -0.000 0.000 0.301 184 F C 2.135 177.953 175.800 0.030 0.000 1.082 184 F CA 1.261 59.233 58.000 -0.048 0.000 1.313 184 F CB -0.164 38.592 39.000 -0.406 0.000 1.024 184 F HN -0.236 nan 8.300 nan 0.000 0.495 185 V N -1.364 118.616 119.914 0.110 0.000 2.379 185 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 185 V C 2.067 178.112 176.094 -0.081 0.000 1.044 185 V CA 1.861 64.119 62.300 -0.069 0.000 1.036 185 V CB -1.050 30.765 31.823 -0.012 0.000 0.664 185 V HN 0.464 nan 8.190 nan 0.000 0.453 186 W N 1.001 122.292 121.300 -0.015 0.000 2.358 186 W HA -0.223 4.437 4.660 -0.000 0.000 0.303 186 W C 3.027 179.499 176.519 -0.077 0.000 1.208 186 W CA 1.838 59.170 57.345 -0.021 0.000 1.274 186 W CB -0.342 29.128 29.460 0.017 0.000 1.138 186 W HN 0.370 nan 8.180 nan 0.000 0.515 187 S N -0.374 115.417 115.700 0.151 0.000 2.368 187 S HA -0.195 4.275 4.470 -0.000 0.000 0.225 187 S C 1.681 176.176 174.600 -0.175 0.000 1.030 187 S CA 1.650 59.858 58.200 0.014 0.000 0.999 187 S CB -1.075 62.139 63.200 0.023 0.000 0.844 187 S HN 0.064 nan 8.310 nan 0.000 0.459 188 V N 2.161 121.828 119.914 -0.412 0.000 2.379 188 V HA -0.084 4.036 4.120 -0.000 0.000 0.245 188 V C 2.630 178.531 176.094 -0.320 0.000 1.044 188 V CA 2.006 63.978 62.300 -0.547 0.000 1.036 188 V CB -0.833 30.454 31.823 -0.894 0.000 0.664 188 V HN 0.621 nan 8.190 nan 0.000 0.453 189 M N -0.095 119.393 119.600 -0.186 0.000 2.117 189 M HA -0.164 4.316 4.480 -0.000 0.000 0.262 189 M C 2.086 178.391 176.300 0.009 0.000 1.065 189 M CA 2.113 57.368 55.300 -0.075 0.000 1.114 189 M CB -0.270 32.282 32.600 -0.079 0.000 1.361 189 M HN 0.239 nan 8.290 nan 0.000 0.408 190 I N -0.208 120.401 120.570 0.065 0.000 2.179 190 I HA -0.284 3.886 4.170 -0.000 0.000 0.242 190 I C 2.205 178.355 176.117 0.055 0.000 1.088 190 I CA 1.705 63.068 61.300 0.105 0.000 1.357 190 I CB -0.969 37.120 38.000 0.147 0.000 1.051 190 I HN 0.352 nan 8.210 nan 0.000 0.409 191 T N 0.943 115.488 114.554 -0.015 0.000 2.699 191 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 191 T C 2.048 176.742 174.700 -0.009 0.000 1.036 191 T CA 1.692 63.764 62.100 -0.045 0.000 1.147 191 T CB -0.400 68.389 68.868 -0.132 0.000 0.862 191 T HN 0.519 nan 8.240 nan 0.000 0.446 192 A N 0.836 123.647 122.820 -0.015 0.000 1.902 192 A HA -0.054 4.266 4.320 -0.000 0.000 0.217 192 A C 2.593 180.234 177.584 0.096 0.000 1.181 192 A CA 1.466 53.532 52.037 0.048 0.000 0.623 192 A CB -0.966 18.071 19.000 0.062 0.000 0.818 192 A HN 0.377 nan 8.150 nan 0.000 0.443 193 V N 0.416 120.391 119.914 0.103 0.000 2.490 193 V HA -0.242 3.878 4.120 -0.000 0.000 0.250 193 V C 2.512 178.722 176.094 0.193 0.000 1.061 193 V CA 1.771 64.152 62.300 0.134 0.000 1.064 193 V CB -0.812 31.093 31.823 0.137 0.000 0.670 193 V HN 0.558 nan 8.190 nan 0.000 0.461 194 L N -0.877 120.466 121.223 0.199 0.000 2.056 194 L HA -0.166 4.174 4.340 -0.000 0.000 0.207 194 L C 2.443 179.453 176.870 0.235 0.000 1.078 194 L CA 1.500 56.498 54.840 0.264 0.000 0.749 194 L CB -0.635 41.460 42.059 0.060 0.000 0.901 194 L HN 0.290 nan 8.230 nan 0.000 0.433 195 L N -0.481 120.832 121.223 0.151 0.000 2.046 195 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 195 L C 2.608 179.588 176.870 0.184 0.000 1.077 195 L CA 0.942 55.880 54.840 0.163 0.000 0.747 195 L CB -0.361 41.776 42.059 0.129 0.000 0.896 195 L HN 0.215 nan 8.230 nan 0.000 0.432 196 L N -0.519 120.802 121.223 0.163 0.000 2.042 196 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 196 L C 2.237 179.194 176.870 0.145 0.000 1.076 196 L CA 1.748 56.671 54.840 0.138 0.000 0.749 196 L CB -0.168 41.960 42.059 0.114 0.000 0.893 196 L HN 0.143 nan 8.230 nan 0.000 0.432 197 L N -1.776 119.558 121.223 0.186 0.000 2.209 197 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 197 L C 2.549 179.596 176.870 0.296 0.000 1.094 197 L CA 0.962 55.903 54.840 0.167 0.000 0.790 197 L CB -0.570 41.494 42.059 0.008 0.000 0.932 197 L HN 0.398 nan 8.230 nan 0.000 0.447 198 S N 0.057 116.000 115.700 0.404 0.000 2.356 198 S HA -0.080 4.390 4.470 -0.000 0.000 0.219 198 S C 1.984 176.827 174.600 0.405 0.000 1.036 198 S CA 0.355 58.826 58.200 0.452 0.000 0.965 198 S CB -0.731 62.673 63.200 0.340 0.000 0.864 198 S HN 0.243 nan 8.310 nan 0.000 0.471 199 L N 2.048 123.461 121.223 0.317 0.000 2.021 199 L HA -0.083 4.257 4.340 -0.000 0.000 0.215 199 L C -0.601 176.263 176.870 -0.010 0.000 1.074 199 L CA 1.750 56.643 54.840 0.088 0.000 0.760 199 L CB -1.569 40.554 42.059 0.107 0.000 0.889 199 L HN 0.281 nan 8.230 nan 0.000 0.433 200 P HA -0.165 nan 4.420 nan 0.000 0.216 200 P C 1.836 179.138 177.300 0.003 0.000 1.153 200 P CA 1.290 64.409 63.100 0.032 0.000 0.858 200 P CB 0.079 31.811 31.700 0.054 0.000 0.789 201 V N -0.670 119.266 119.914 0.036 0.000 2.307 201 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 201 V C 2.373 178.431 176.094 -0.059 0.000 1.045 201 V CA 1.474 63.775 62.300 0.002 0.000 1.024 201 V CB -1.307 30.567 31.823 0.087 0.000 0.651 201 V HN 0.053 nan 8.190 nan 0.000 0.449 202 L N 1.159 122.299 121.223 -0.138 0.000 2.012 202 L HA -0.147 4.193 4.340 -0.000 0.000 0.210 202 L C 2.475 179.193 176.870 -0.253 0.000 1.073 202 L CA 2.478 57.104 54.840 -0.356 0.000 0.748 202 L CB -1.022 40.467 42.059 -0.950 0.000 0.891 202 L HN 0.217 nan 8.230 nan 0.000 0.431 203 A N -0.122 122.573 122.820 -0.209 0.000 1.849 203 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 203 A C 2.514 180.076 177.584 -0.037 0.000 1.202 203 A CA 2.753 54.716 52.037 -0.124 0.000 0.629 203 A CB -1.575 17.417 19.000 -0.013 0.000 0.834 203 A HN 0.667 nan 8.150 nan 0.000 0.447 204 A N -0.799 122.003 122.820 -0.030 0.000 1.903 204 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 204 A C 2.498 180.064 177.584 -0.031 0.000 1.191 204 A CA 2.463 54.479 52.037 -0.034 0.000 0.638 204 A CB -1.620 17.343 19.000 -0.061 0.000 0.823 204 A HN 0.939 nan 8.150 nan 0.000 0.451 205 G N 0.710 109.502 108.800 -0.013 0.000 2.480 205 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.216 205 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.216 205 G C 1.509 176.533 174.900 0.206 0.000 1.200 205 G CA 1.378 46.539 45.100 0.101 0.000 0.782 205 G HN 0.952 nan 8.290 nan 0.000 0.554 206 I N -1.609 119.016 120.570 0.092 0.000 2.756 206 I HA 0.026 4.196 4.170 -0.000 0.000 0.262 206 I C 2.257 178.403 176.117 0.048 0.000 1.225 206 I CA 1.467 62.800 61.300 0.055 0.000 1.472 206 I CB -0.512 37.404 38.000 -0.140 0.000 1.094 206 I HN -0.043 nan 8.210 nan 0.000 0.454 207 T N 1.423 116.026 114.554 0.083 0.000 2.851 207 T HA 0.065 4.415 4.350 -0.000 0.000 0.262 207 T C 1.912 176.653 174.700 0.068 0.000 1.043 207 T CA 1.478 63.649 62.100 0.118 0.000 1.140 207 T CB -0.138 68.805 68.868 0.127 0.000 0.872 207 T HN 0.318 nan 8.240 nan 0.000 0.446 208 M N 0.493 120.092 119.600 -0.002 0.000 2.213 208 M HA -0.012 4.468 4.480 -0.000 0.000 0.263 208 M C 2.202 178.619 176.300 0.195 0.000 1.062 208 M CA 1.163 56.385 55.300 -0.129 0.000 1.105 208 M CB -0.409 31.776 32.600 -0.691 0.000 1.385 208 M HN 0.163 nan 8.290 nan 0.000 0.417 209 L N 0.390 121.803 121.223 0.317 0.000 2.093 209 L HA -0.115 4.225 4.340 -0.000 0.000 0.208 209 L C 2.127 179.064 176.870 0.111 0.000 1.085 209 L CA 1.394 56.396 54.840 0.270 0.000 0.755 209 L CB -0.550 41.525 42.059 0.025 0.000 0.904 209 L HN 0.180 nan 8.230 nan 0.000 0.435 210 L N -0.685 120.573 121.223 0.059 0.000 2.017 210 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 210 L C 2.627 179.525 176.870 0.047 0.000 1.073 210 L CA 2.541 57.380 54.840 -0.001 0.000 0.745 210 L CB -0.916 41.118 42.059 -0.042 0.000 0.894 210 L HN 0.610 nan 8.230 nan 0.000 0.432 211 T N -4.610 110.004 114.554 0.100 0.000 2.857 211 T HA -0.155 4.195 4.350 -0.000 0.000 0.266 211 T C 1.686 176.439 174.700 0.089 0.000 1.048 211 T CA 1.172 63.337 62.100 0.108 0.000 1.139 211 T CB -0.663 68.304 68.868 0.165 0.000 0.874 211 T HN 0.268 nan 8.240 nan 0.000 0.455 212 D N 1.407 121.883 120.400 0.127 0.000 2.158 212 D HA -0.036 4.604 4.640 -0.000 0.000 0.197 212 D C 2.425 178.756 176.300 0.052 0.000 0.995 212 D CA 0.986 55.032 54.000 0.077 0.000 0.846 212 D CB -0.180 40.700 40.800 0.133 0.000 0.941 212 D HN 0.455 nan 8.370 nan 0.000 0.456 213 R N -0.452 120.081 120.500 0.056 0.000 2.200 213 R HA 0.157 4.497 4.340 -0.000 0.000 0.208 213 R C 1.077 177.396 176.300 0.033 0.000 1.033 213 R CA 0.663 56.786 56.100 0.038 0.000 1.000 213 R CB 0.230 30.546 30.300 0.027 0.000 0.906 213 R HN 0.205 nan 8.270 nan 0.000 0.462 214 N N -0.951 117.770 118.700 0.035 0.000 2.166 214 N HA 0.108 4.848 4.740 -0.000 0.000 0.222 214 N C 0.548 176.076 175.510 0.030 0.000 1.282 214 N CA 0.194 53.265 53.050 0.036 0.000 0.890 214 N CB 1.147 39.663 38.487 0.048 0.000 1.114 214 N HN 0.078 nan 8.380 nan 0.000 0.494 215 L N 0.949 122.187 121.223 0.026 0.000 3.122 215 L HA 0.295 4.635 4.340 -0.000 0.000 0.274 215 L C -0.270 176.592 176.870 -0.013 0.000 1.222 215 L CA -0.069 54.779 54.840 0.013 0.000 1.028 215 L CB -0.001 42.072 42.059 0.023 0.000 1.386 215 L HN -0.038 nan 8.230 nan 0.000 0.578 216 N N 1.397 120.087 118.700 -0.017 0.000 2.740 216 N HA -0.130 4.610 4.740 -0.000 0.000 0.248 216 N C 0.303 175.759 175.510 -0.090 0.000 1.062 216 N CA 1.313 54.339 53.050 -0.040 0.000 0.704 216 N CB -1.116 37.350 38.487 -0.035 0.000 0.968 216 N HN 0.504 nan 8.380 nan 0.000 0.547 217 T N -2.683 111.802 114.554 -0.115 0.000 2.902 217 T HA 0.593 4.943 4.350 -0.000 0.000 0.280 217 T C 1.102 175.644 174.700 -0.263 0.000 0.992 217 T CA -0.237 61.698 62.100 -0.276 0.000 1.015 217 T CB 1.885 70.532 68.868 -0.370 0.000 1.044 217 T HN 0.222 nan 8.240 nan 0.000 0.520 218 T N -1.138 113.171 114.554 -0.407 0.000 3.624 218 T HA 0.356 4.706 4.350 -0.000 0.000 0.244 218 T C 0.483 175.007 174.700 -0.295 0.000 1.063 218 T CA -0.695 61.253 62.100 -0.253 0.000 1.252 218 T CB -0.923 67.846 68.868 -0.165 0.000 1.021 218 T HN 0.479 nan 8.240 nan 0.000 0.590 219 F N 0.622 120.365 119.950 -0.346 0.000 2.113 219 F HA 0.156 4.683 4.527 -0.000 0.000 0.297 219 F C 1.234 176.714 175.800 -0.533 0.000 1.103 219 F CA 0.908 58.561 58.000 -0.579 0.000 1.248 219 F CB -0.166 38.185 39.000 -1.081 0.000 0.999 219 F HN 0.354 nan 8.300 nan 0.000 0.475 220 F N -1.182 118.890 119.950 0.203 0.000 2.647 220 F HA 0.222 4.749 4.527 -0.000 0.000 0.300 220 F C -0.072 175.760 175.800 0.053 0.000 1.106 220 F CA -0.763 57.301 58.000 0.106 0.000 1.313 220 F CB -0.312 38.720 39.000 0.054 0.000 1.007 220 F HN -0.238 nan 8.300 nan 0.000 0.536 221 D N 1.084 121.553 120.400 0.116 0.000 2.441 221 D HA 0.272 4.912 4.640 -0.000 0.000 0.231 221 D C -2.011 174.313 176.300 0.040 0.000 1.073 221 D CA -2.463 51.578 54.000 0.068 0.000 0.850 221 D CB 2.093 42.909 40.800 0.026 0.000 1.062 221 D HN -0.104 nan 8.370 nan 0.000 0.524 222 P HA -0.171 nan 4.420 nan 0.000 0.216 222 P C 1.119 178.430 177.300 0.020 0.000 1.153 222 P CA 1.598 64.722 63.100 0.041 0.000 0.858 222 P CB 0.233 31.960 31.700 0.047 0.000 0.789 223 A N -0.532 122.297 122.820 0.015 0.000 2.042 223 A HA -0.149 4.171 4.320 -0.000 0.000 0.222 223 A C 2.287 179.864 177.584 -0.012 0.000 1.167 223 A CA 2.171 54.210 52.037 0.003 0.000 0.649 223 A CB -1.687 17.315 19.000 0.003 0.000 0.809 223 A HN 0.355 nan 8.150 nan 0.000 0.457 224 G N -3.085 105.701 108.800 -0.024 0.000 3.020 224 G HA2 0.399 4.359 3.960 -0.000 0.000 0.217 224 G HA3 0.399 4.359 3.960 -0.000 0.000 0.217 224 G C 1.037 175.911 174.900 -0.045 0.000 1.144 224 G CA 0.600 45.670 45.100 -0.049 0.000 0.760 224 G HN 1.653 nan 8.290 nan 0.000 0.548 225 G N -1.065 107.724 108.800 -0.019 0.000 2.163 225 G HA2 0.027 3.987 3.960 -0.000 0.000 0.213 225 G HA3 0.027 3.987 3.960 -0.000 0.000 0.213 225 G C 0.792 175.697 174.900 0.008 0.000 0.991 225 G CA 0.157 45.253 45.100 -0.005 0.000 0.653 225 G HN 0.936 nan 8.290 nan 0.000 0.518 226 G N -0.771 108.031 108.800 0.004 0.000 2.611 226 G HA2 0.470 4.430 3.960 -0.000 0.000 0.273 226 G HA3 0.470 4.430 3.960 -0.000 0.000 0.273 226 G C -0.656 174.305 174.900 0.102 0.000 1.305 226 G CA 0.666 45.788 45.100 0.036 0.000 1.010 226 G HN 0.473 nan 8.290 nan 0.000 0.509 227 D N -1.404 119.107 120.400 0.185 0.000 2.591 227 D HA 0.291 4.931 4.640 -0.000 0.000 0.222 227 D C -2.089 174.400 176.300 0.315 0.000 1.360 227 D CA -1.432 52.692 54.000 0.208 0.000 0.967 227 D CB 2.078 42.991 40.800 0.188 0.000 1.456 227 D HN -0.052 nan 8.370 nan 0.000 0.588 228 P HA -0.066 nan 4.420 nan 0.000 0.219 228 P C 1.701 179.010 177.300 0.014 0.000 1.146 228 P CA 0.393 63.568 63.100 0.124 0.000 0.808 228 P CB 0.395 32.119 31.700 0.039 0.000 0.779 229 I N -1.149 119.447 120.570 0.043 0.000 2.361 229 I HA -0.164 4.006 4.170 -0.000 0.000 0.251 229 I C 2.167 178.313 176.117 0.049 0.000 1.133 229 I CA 1.066 62.350 61.300 -0.027 0.000 1.413 229 I CB -1.622 36.395 38.000 0.028 0.000 1.073 229 I HN 0.005 nan 8.210 nan 0.000 0.424 230 L N 0.629 121.998 121.223 0.243 0.000 2.043 230 L HA -0.281 4.059 4.340 -0.000 0.000 0.212 230 L C 2.635 179.675 176.870 0.284 0.000 1.075 230 L CA 1.860 56.913 54.840 0.355 0.000 0.752 230 L CB -1.095 41.231 42.059 0.445 0.000 0.891 230 L HN 0.284 nan 8.230 nan 0.000 0.432 231 Y N -0.093 120.153 120.300 -0.090 0.000 2.224 231 Y HA -0.281 4.269 4.550 -0.000 0.000 0.289 231 Y C 2.487 178.205 175.900 -0.303 0.000 1.146 231 Y CA 2.029 59.781 58.100 -0.580 0.000 1.182 231 Y CB -0.112 37.442 38.460 -1.511 0.000 0.983 231 Y HN 0.389 nan 8.280 nan 0.000 0.524 232 Q N -1.070 118.489 119.800 -0.401 0.000 2.167 232 Q HA -0.215 4.125 4.340 -0.000 0.000 0.202 232 Q C 1.894 177.884 176.000 -0.017 0.000 0.970 232 Q CA 1.294 56.887 55.803 -0.350 0.000 0.855 232 Q CB -0.292 28.221 28.738 -0.375 0.000 0.911 232 Q HN 0.625 nan 8.270 nan 0.000 0.438 233 H N 0.627 119.786 119.070 0.149 0.000 2.357 233 H HA -0.026 4.530 4.556 -0.000 0.000 0.301 233 H C 2.176 177.572 175.328 0.113 0.000 1.082 233 H CA 1.023 57.260 56.048 0.314 0.000 1.342 233 H CB -0.044 29.903 29.762 0.307 0.000 1.389 233 H HN 0.196 nan 8.280 nan 0.000 0.511 234 L N -0.748 120.530 121.223 0.092 0.000 2.072 234 L HA -0.143 4.197 4.340 -0.000 0.000 0.205 234 L C 2.478 179.298 176.870 -0.084 0.000 1.079 234 L CA 0.917 55.737 54.840 -0.033 0.000 0.752 234 L CB -0.506 41.528 42.059 -0.042 0.000 0.906 234 L HN 0.098 nan 8.230 nan 0.000 0.436 235 F N -0.226 119.453 119.950 -0.452 0.000 2.113 235 F HA -0.217 4.310 4.527 -0.000 0.000 0.297 235 F C 2.036 177.661 175.800 -0.292 0.000 1.103 235 F CA 1.497 59.159 58.000 -0.564 0.000 1.248 235 F CB -0.340 38.014 39.000 -1.077 0.000 0.999 235 F HN -0.032 nan 8.300 nan 0.000 0.475 236 W N -1.281 120.061 121.300 0.070 0.000 2.467 236 W HA -0.100 4.560 4.660 -0.000 0.000 0.275 236 W C 2.133 178.622 176.519 -0.050 0.000 1.239 236 W CA 0.337 57.699 57.345 0.027 0.000 1.266 236 W CB -0.556 29.056 29.460 0.252 0.000 1.112 236 W HN 0.065 nan 8.180 nan 0.000 0.576 237 F N -0.116 119.761 119.950 -0.122 0.000 2.408 237 F HA -0.184 4.343 4.527 -0.000 0.000 0.300 237 F C 1.849 177.575 175.800 -0.124 0.000 1.090 237 F CA 1.364 59.102 58.000 -0.437 0.000 1.427 237 F CB -0.313 38.284 39.000 -0.671 0.000 1.070 237 F HN -0.013 nan 8.300 nan 0.000 0.549 238 F N -0.517 119.345 119.950 -0.148 0.000 2.453 238 F HA 0.326 4.853 4.527 -0.000 0.000 0.284 238 F C 2.182 177.807 175.800 -0.292 0.000 1.065 238 F CA 1.038 58.911 58.000 -0.212 0.000 1.411 238 F CB -1.058 37.798 39.000 -0.240 0.000 1.131 238 F HN -0.184 nan 8.300 nan 0.000 0.582 239 G N -0.074 108.280 108.800 -0.744 0.000 2.469 239 G HA2 -0.366 3.594 3.960 -0.000 0.000 0.219 239 G HA3 -0.366 3.594 3.960 -0.000 0.000 0.219 239 G C 1.437 176.129 174.900 -0.346 0.000 1.150 239 G CA 1.532 46.233 45.100 -0.664 0.000 0.763 239 G HN 0.544 nan 8.290 nan 0.000 0.561 240 H N 1.743 120.771 119.070 -0.069 0.000 2.276 240 H HA 0.012 4.568 4.556 -0.000 0.000 0.301 240 H C 0.271 175.513 175.328 -0.143 0.000 1.073 240 H CA 1.615 57.666 56.048 0.006 0.000 1.311 240 H CB -0.778 29.068 29.762 0.139 0.000 1.379 240 H HN 0.234 nan 8.280 nan 0.000 0.494 241 P HA -0.187 nan 4.420 nan 0.000 0.217 241 P C 1.216 178.206 177.300 -0.515 0.000 1.151 241 P CA 2.151 64.895 63.100 -0.593 0.000 0.849 241 P CB 0.008 31.136 31.700 -0.954 0.000 0.787 242 E N -0.091 119.678 120.200 -0.719 0.000 2.110 242 E HA -0.163 4.187 4.350 -0.000 0.000 0.193 242 E C 1.713 177.996 176.600 -0.529 0.000 0.988 242 E CA 1.436 57.426 56.400 -0.684 0.000 0.804 242 E CB -1.162 27.904 29.700 -1.056 0.000 0.745 242 E HN 0.145 nan 8.360 nan 0.000 0.458 243 V N -1.125 118.433 119.914 -0.592 0.000 2.548 243 V HA -0.167 3.953 4.120 -0.000 0.000 0.249 243 V C 1.823 177.546 176.094 -0.618 0.000 1.055 243 V CA 1.564 63.511 62.300 -0.590 0.000 1.065 243 V CB -1.004 30.462 31.823 -0.594 0.000 0.681 243 V HN 0.229 nan 8.190 nan 0.000 0.462 244 Y N 0.271 120.379 120.300 -0.319 0.000 2.395 244 Y HA 0.213 4.763 4.550 -0.000 0.000 0.293 244 Y C 2.318 178.078 175.900 -0.234 0.000 1.123 244 Y CA 1.356 59.330 58.100 -0.209 0.000 1.227 244 Y CB -0.404 37.975 38.460 -0.134 0.000 1.012 244 Y HN 0.196 nan 8.280 nan 0.000 0.552 245 I N -0.626 119.834 120.570 -0.183 0.000 2.394 245 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 245 I C 1.794 177.790 176.117 -0.201 0.000 1.136 245 I CA 1.201 62.397 61.300 -0.174 0.000 1.425 245 I CB -0.203 37.681 38.000 -0.192 0.000 1.079 245 I HN 0.201 nan 8.210 nan 0.000 0.425 246 L N -0.536 120.532 121.223 -0.259 0.000 2.395 246 L HA -0.103 4.237 4.340 -0.000 0.000 0.218 246 L C 2.104 178.853 176.870 -0.202 0.000 1.130 246 L CA 0.708 55.404 54.840 -0.241 0.000 0.826 246 L CB 0.058 41.937 42.059 -0.299 0.000 0.941 246 L HN 0.245 nan 8.230 nan 0.000 0.451 247 I N -1.481 118.933 120.570 -0.259 0.000 3.883 247 I HA -0.031 4.139 4.170 -0.000 0.000 0.305 247 I C 1.954 177.730 176.117 -0.568 0.000 1.247 247 I CA 0.665 61.755 61.300 -0.351 0.000 1.350 247 I CB 0.265 38.041 38.000 -0.374 0.000 1.194 247 I HN -0.016 nan 8.210 nan 0.000 0.441 248 L N 1.468 122.427 121.223 -0.439 0.000 1.997 248 L HA -0.204 4.136 4.340 -0.000 0.000 0.216 248 L C -0.470 176.342 176.870 -0.098 0.000 1.074 248 L CA 1.993 56.666 54.840 -0.279 0.000 0.763 248 L CB -1.922 40.084 42.059 -0.089 0.000 0.890 248 L HN 0.212 nan 8.230 nan 0.000 0.434 249 P HA -0.119 nan 4.420 nan 0.000 0.218 249 P C 1.444 178.839 177.300 0.158 0.000 1.149 249 P CA 1.597 64.694 63.100 -0.006 0.000 0.817 249 P CB -0.175 31.509 31.700 -0.026 0.000 0.785 250 G N -1.713 107.105 108.800 0.030 0.000 2.443 250 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 250 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 250 G C 1.412 176.327 174.900 0.024 0.000 1.131 250 G CA 0.063 45.155 45.100 -0.014 0.000 0.775 250 G HN 0.237 nan 8.290 nan 0.000 0.547 251 F N 1.224 121.202 119.950 0.047 0.000 2.113 251 F HA -0.039 4.488 4.527 -0.000 0.000 0.297 251 F C 2.997 178.962 175.800 0.274 0.000 1.103 251 F CA 0.368 58.503 58.000 0.224 0.000 1.248 251 F CB -0.116 39.042 39.000 0.263 0.000 0.999 251 F HN 0.270 nan 8.300 nan 0.000 0.475 252 G N 0.453 109.532 108.800 0.466 0.000 2.459 252 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 252 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 252 G C 1.575 176.693 174.900 0.364 0.000 1.183 252 G CA 0.863 46.243 45.100 0.466 0.000 0.776 252 G HN 0.204 nan 8.290 nan 0.000 0.552 253 M N 0.044 119.780 119.600 0.226 0.000 2.159 253 M HA -0.002 4.478 4.480 -0.000 0.000 0.263 253 M C 2.503 178.780 176.300 -0.038 0.000 1.063 253 M CA 0.937 56.233 55.300 -0.006 0.000 1.110 253 M CB -0.365 32.140 32.600 -0.158 0.000 1.374 253 M HN 0.118 nan 8.290 nan 0.000 0.411 254 I N 0.043 120.507 120.570 -0.176 0.000 2.179 254 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 254 I C 2.467 178.423 176.117 -0.270 0.000 1.088 254 I CA 1.443 62.469 61.300 -0.457 0.000 1.357 254 I CB -1.179 36.169 38.000 -1.087 0.000 1.051 254 I HN 0.245 nan 8.210 nan 0.000 0.409 255 S N -0.309 115.487 115.700 0.159 0.000 2.365 255 S HA -0.228 4.242 4.470 -0.000 0.000 0.225 255 S C 1.886 176.679 174.600 0.322 0.000 1.039 255 S CA 1.268 59.748 58.200 0.467 0.000 1.033 255 S CB -0.559 63.028 63.200 0.645 0.000 0.887 255 S HN 0.519 nan 8.310 nan 0.000 0.447 256 H N 0.208 119.374 119.070 0.161 0.000 2.389 256 H HA 0.059 4.615 4.556 -0.000 0.000 0.299 256 H C 2.115 177.414 175.328 -0.048 0.000 1.081 256 H CA 1.307 57.437 56.048 0.135 0.000 1.345 256 H CB -0.135 29.779 29.762 0.253 0.000 1.393 256 H HN 0.341 nan 8.280 nan 0.000 0.520 257 I N 0.259 120.796 120.570 -0.055 0.000 2.315 257 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 257 I C 2.415 178.505 176.117 -0.046 0.000 1.117 257 I CA 0.560 61.731 61.300 -0.215 0.000 1.404 257 I CB -0.050 37.805 38.000 -0.241 0.000 1.071 257 I HN 0.025 nan 8.210 nan 0.000 0.419 258 V N 0.450 120.327 119.914 -0.063 0.000 2.307 258 V HA -0.245 3.875 4.120 -0.000 0.000 0.245 258 V C 2.511 178.615 176.094 0.016 0.000 1.045 258 V CA 2.383 64.663 62.300 -0.034 0.000 1.024 258 V CB -0.806 30.967 31.823 -0.082 0.000 0.651 258 V HN 0.443 nan 8.190 nan 0.000 0.449 259 T N -0.945 113.640 114.554 0.052 0.000 2.720 259 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 259 T C 1.742 176.415 174.700 -0.045 0.000 1.037 259 T CA 2.178 64.302 62.100 0.040 0.000 1.144 259 T CB -0.382 68.525 68.868 0.065 0.000 0.864 259 T HN 0.531 nan 8.240 nan 0.000 0.444 260 Y N 0.632 120.804 120.300 -0.212 0.000 2.114 260 Y HA -0.174 4.376 4.550 -0.000 0.000 0.284 260 Y C 1.880 177.486 175.900 -0.490 0.000 1.143 260 Y CA 1.293 59.155 58.100 -0.397 0.000 1.135 260 Y CB -0.364 37.724 38.460 -0.620 0.000 0.980 260 Y HN 0.226 nan 8.280 nan 0.000 0.499 261 Y N -1.136 119.116 120.300 -0.081 0.000 2.583 261 Y HA -0.016 4.534 4.550 -0.000 0.000 0.293 261 Y C 2.386 178.152 175.900 -0.223 0.000 1.157 261 Y CA 0.935 58.933 58.100 -0.170 0.000 1.315 261 Y CB -0.276 38.086 38.460 -0.163 0.000 1.021 261 Y HN 0.029 nan 8.280 nan 0.000 0.536 262 S N -1.066 114.574 115.700 -0.101 0.000 2.528 262 S HA 0.137 4.607 4.470 -0.000 0.000 0.219 262 S C 1.861 176.377 174.600 -0.139 0.000 0.985 262 S CA 0.733 58.869 58.200 -0.106 0.000 0.914 262 S CB -0.358 62.812 63.200 -0.051 0.000 0.776 262 S HN 0.682 nan 8.310 nan 0.000 0.526 263 G N 1.453 110.122 108.800 -0.219 0.000 2.153 263 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.252 263 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.252 263 G C 0.016 174.802 174.900 -0.190 0.000 0.994 263 G CA 0.423 45.372 45.100 -0.251 0.000 0.698 263 G HN 0.412 nan 8.290 nan 0.000 0.521 264 K N -0.303 120.008 120.400 -0.148 0.000 2.090 264 K HA 0.589 4.909 4.320 -0.000 0.000 0.249 264 K C 1.505 178.054 176.600 -0.085 0.000 0.995 264 K CA -0.005 56.232 56.287 -0.083 0.000 0.914 264 K CB 0.703 33.191 32.500 -0.019 0.000 1.057 264 K HN 0.261 nan 8.250 nan 0.000 0.462 265 K N 0.396 120.769 120.400 -0.046 0.000 2.361 265 K HA 0.079 4.399 4.320 -0.000 0.000 0.194 265 K C -0.617 175.983 176.600 -0.000 0.000 1.032 265 K CA 0.261 56.529 56.287 -0.031 0.000 1.048 265 K CB 0.297 32.781 32.500 -0.027 0.000 0.842 265 K HN 0.609 nan 8.250 nan 0.000 0.526 266 E N 0.712 120.923 120.200 0.017 0.000 2.375 266 E HA 0.333 4.683 4.350 -0.000 0.000 0.280 266 E C -3.053 173.602 176.600 0.092 0.000 0.972 266 E CA -2.409 54.019 56.400 0.048 0.000 0.782 266 E CB 1.505 31.219 29.700 0.024 0.000 1.229 266 E HN -0.165 nan 8.360 nan 0.000 0.439 267 P HA 0.073 nan 4.420 nan 0.000 0.275 267 P C -0.689 176.723 177.300 0.187 0.000 1.228 267 P CA -0.355 62.870 63.100 0.209 0.000 0.786 267 P CB 0.474 32.324 31.700 0.251 0.000 0.927 268 F N 2.161 122.189 119.950 0.129 0.000 2.543 268 F HA 0.335 4.862 4.527 -0.000 0.000 0.375 268 F C 1.356 177.206 175.800 0.083 0.000 1.075 268 F CA 1.213 59.273 58.000 0.101 0.000 1.225 268 F CB -0.232 38.831 39.000 0.104 0.000 1.099 268 F HN 0.701 nan 8.300 nan 0.000 0.561 269 G N 6.166 114.535 108.800 -0.719 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 0.470 175.321 174.900 -0.081 0.000 1.005 269 G CA 0.644 45.497 45.100 -0.412 0.000 1.173 269 G HN 1.047 nan 8.290 nan 0.000 0.511 270 Y N 0.604 120.825 120.300 -0.133 0.000 2.002 270 Y HA -0.338 4.212 4.550 -0.000 0.000 0.268 270 Y C 2.738 178.593 175.900 -0.075 0.000 1.177 270 Y CA 2.781 60.852 58.100 -0.050 0.000 1.111 270 Y CB -0.105 38.350 38.460 -0.008 0.000 0.952 270 Y HN 0.411 nan 8.280 nan 0.000 0.491 271 M N -0.009 119.665 119.600 0.124 0.000 2.346 271 M HA -0.146 4.334 4.480 -0.000 0.000 0.263 271 M C 2.251 178.479 176.300 -0.120 0.000 1.064 271 M CA 1.424 56.694 55.300 -0.049 0.000 1.083 271 M CB -1.792 30.790 32.600 -0.031 0.000 1.399 271 M HN 0.560 nan 8.290 nan 0.000 0.435 272 G N -0.755 107.988 108.800 -0.095 0.000 2.453 272 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.215 272 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.215 272 G C 1.528 176.432 174.900 0.006 0.000 1.147 272 G CA 0.110 45.184 45.100 -0.044 0.000 0.802 272 G HN 0.249 nan 8.290 nan 0.000 0.535 273 M N 0.558 120.088 119.600 -0.116 0.000 2.254 273 M HA 0.077 4.557 4.480 -0.000 0.000 0.265 273 M C 2.603 178.755 176.300 -0.246 0.000 1.066 273 M CA 0.603 55.799 55.300 -0.174 0.000 1.123 273 M CB -0.502 31.990 32.600 -0.181 0.000 1.388 273 M HN 0.104 nan 8.290 nan 0.000 0.425 274 V N -1.239 118.439 119.914 -0.394 0.000 2.323 274 V HA -0.241 3.879 4.120 -0.000 0.000 0.244 274 V C 2.038 177.941 176.094 -0.319 0.000 1.041 274 V CA 1.582 63.519 62.300 -0.605 0.000 1.025 274 V CB -0.706 30.551 31.823 -0.943 0.000 0.656 274 V HN 0.633 nan 8.190 nan 0.000 0.451 275 W N 1.233 122.334 121.300 -0.332 0.000 2.358 275 W HA -0.199 4.461 4.660 -0.000 0.000 0.303 275 W C 2.363 178.792 176.519 -0.151 0.000 1.208 275 W CA 2.145 59.364 57.345 -0.211 0.000 1.274 275 W CB -0.355 29.006 29.460 -0.166 0.000 1.138 275 W HN 0.196 nan 8.180 nan 0.000 0.515 276 A N 0.754 123.565 122.820 -0.016 0.000 1.851 276 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 276 A C 2.072 179.488 177.584 -0.280 0.000 1.195 276 A CA 2.460 54.348 52.037 -0.248 0.000 0.622 276 A CB -1.080 17.883 19.000 -0.062 0.000 0.831 276 A HN 0.428 nan 8.150 nan 0.000 0.444 277 M N -1.298 118.210 119.600 -0.153 0.000 2.117 277 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 277 M C 2.465 178.718 176.300 -0.078 0.000 1.065 277 M CA 1.667 56.940 55.300 -0.046 0.000 1.114 277 M CB -0.414 32.197 32.600 0.018 0.000 1.361 277 M HN 0.453 nan 8.290 nan 0.000 0.408 278 M N -0.747 118.759 119.600 -0.157 0.000 2.086 278 M HA -0.179 4.301 4.480 -0.000 0.000 0.261 278 M C 2.320 178.543 176.300 -0.129 0.000 1.067 278 M CA 1.576 56.816 55.300 -0.101 0.000 1.116 278 M CB -0.514 32.018 32.600 -0.113 0.000 1.348 278 M HN 0.221 nan 8.290 nan 0.000 0.407 279 S N 1.095 116.572 115.700 -0.372 0.000 2.353 279 S HA -0.151 4.319 4.470 -0.000 0.000 0.222 279 S C 1.836 176.344 174.600 -0.154 0.000 1.035 279 S CA 1.389 59.358 58.200 -0.384 0.000 1.025 279 S CB -0.549 62.128 63.200 -0.872 0.000 0.902 279 S HN 0.375 nan 8.310 nan 0.000 0.440 280 I N 1.509 121.961 120.570 -0.197 0.000 2.194 280 I HA -0.222 3.948 4.170 -0.000 0.000 0.246 280 I C 2.657 178.684 176.117 -0.150 0.000 1.093 280 I CA 1.293 62.494 61.300 -0.164 0.000 1.355 280 I CB -0.890 37.077 38.000 -0.056 0.000 1.046 280 I HN 0.403 nan 8.210 nan 0.000 0.413 281 G N 0.382 109.165 108.800 -0.029 0.000 2.421 281 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.216 281 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.216 281 G C 1.577 176.554 174.900 0.128 0.000 1.171 281 G CA 0.611 45.736 45.100 0.042 0.000 0.775 281 G HN 0.338 nan 8.290 nan 0.000 0.543 282 F N 1.222 121.191 119.950 0.031 0.000 2.046 282 F HA -0.037 4.490 4.527 -0.000 0.000 0.297 282 F C 2.521 178.375 175.800 0.090 0.000 1.123 282 F CA 1.477 59.533 58.000 0.094 0.000 1.199 282 F CB -0.332 38.672 39.000 0.006 0.000 0.972 282 F HN 0.042 nan 8.300 nan 0.000 0.474 283 L N 0.092 121.364 121.223 0.082 0.000 2.079 283 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 283 L C 2.682 179.450 176.870 -0.169 0.000 1.081 283 L CA 1.259 56.069 54.840 -0.050 0.000 0.752 283 L CB -1.467 40.571 42.059 -0.036 0.000 0.896 283 L HN 0.375 nan 8.230 nan 0.000 0.433 284 G N -1.074 107.576 108.800 -0.250 0.000 2.564 284 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 284 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 284 G C 1.170 175.959 174.900 -0.184 0.000 1.124 284 G CA 0.350 45.303 45.100 -0.245 0.000 0.764 284 G HN 0.281 nan 8.290 nan 0.000 0.550 285 F N -0.062 119.796 119.950 -0.153 0.000 2.746 285 F HA 0.304 4.831 4.527 -0.000 0.000 0.297 285 F C 1.900 177.666 175.800 -0.057 0.000 1.113 285 F CA -0.284 57.571 58.000 -0.240 0.000 1.367 285 F CB 0.421 39.223 39.000 -0.331 0.000 1.111 285 F HN 0.217 nan 8.300 nan 0.000 0.590 286 I N -1.980 118.705 120.570 0.193 0.000 3.856 286 I HA 0.253 4.423 4.170 -0.000 0.000 0.330 286 I C 0.488 176.754 176.117 0.249 0.000 1.546 286 I CA 0.049 61.553 61.300 0.340 0.000 1.132 286 I CB 0.101 38.188 38.000 0.145 0.000 1.157 286 I HN -0.099 nan 8.210 nan 0.000 0.440 287 V N -3.364 116.700 119.914 0.250 0.000 3.398 287 V HA 0.188 4.308 4.120 -0.000 0.000 0.298 287 V C 1.802 177.836 176.094 -0.099 0.000 1.496 287 V CA -0.134 62.203 62.300 0.063 0.000 1.044 287 V CB -0.811 30.886 31.823 -0.211 0.000 0.880 287 V HN 0.708 nan 8.190 nan 0.000 0.443 288 W N 2.445 123.739 121.300 -0.010 0.000 2.313 288 W HA -0.161 4.499 4.660 -0.000 0.000 0.293 288 W C 1.874 178.228 176.519 -0.276 0.000 1.216 288 W CA 2.094 59.398 57.345 -0.068 0.000 1.223 288 W CB -0.891 28.673 29.460 0.173 0.000 1.138 288 W HN 0.254 nan 8.180 nan 0.000 0.535 289 A N 1.669 123.787 122.820 -1.170 0.000 2.178 289 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 289 A C 1.851 178.767 177.584 -1.113 0.000 1.157 289 A CA 1.417 52.644 52.037 -1.350 0.000 0.689 289 A CB -1.832 15.666 19.000 -2.504 0.000 0.787 289 A HN 0.824 nan 8.150 nan 0.000 0.465 290 H N -3.062 115.438 119.070 -0.950 0.000 2.567 290 H HA 0.016 4.572 4.556 -0.000 0.000 0.276 290 H C 0.690 175.219 175.328 -1.332 0.000 1.016 290 H CA 0.859 56.008 56.048 -1.498 0.000 1.186 290 H CB -0.330 28.987 29.762 -0.742 0.000 1.351 290 H HN 0.676 nan 8.280 nan 0.000 0.605 291 H N 0.429 119.072 119.070 -0.711 0.000 2.549 291 H HA 0.235 4.791 4.556 -0.000 0.000 0.279 291 H C 0.449 175.459 175.328 -0.531 0.000 1.018 291 H CA 0.110 55.743 56.048 -0.691 0.000 1.175 291 H CB 0.625 29.458 29.762 -1.548 0.000 1.485 291 H HN 0.476 nan 8.280 nan 0.000 0.543 292 M N -0.341 118.944 119.600 -0.525 0.000 2.848 292 M HA 0.123 4.603 4.480 -0.000 0.000 0.420 292 M C 0.216 176.367 176.300 -0.248 0.000 1.304 292 M CA -0.206 54.892 55.300 -0.337 0.000 0.844 292 M CB 0.520 32.953 32.600 -0.278 0.000 1.451 292 M HN -0.093 nan 8.290 nan 0.000 0.511 293 F N 1.272 121.068 119.950 -0.256 0.000 2.171 293 F HA -0.134 4.393 4.527 -0.000 0.000 0.300 293 F C 2.777 178.479 175.800 -0.164 0.000 1.090 293 F CA 1.994 59.880 58.000 -0.188 0.000 1.293 293 F CB -1.079 37.831 39.000 -0.149 0.000 1.013 293 F HN 0.285 nan 8.300 nan 0.000 0.486 294 T N -2.355 112.166 114.554 -0.056 0.000 3.148 294 T HA 0.070 4.420 4.350 -0.000 0.000 0.253 294 T C 1.542 176.224 174.700 -0.030 0.000 1.134 294 T CA 0.729 62.798 62.100 -0.051 0.000 1.051 294 T CB -0.865 67.954 68.868 -0.081 0.000 0.959 294 T HN 0.165 nan 8.240 nan 0.000 0.525 295 V N -1.404 118.487 119.914 -0.039 0.000 3.623 295 V HA 0.558 4.678 4.120 -0.000 0.000 0.271 295 V C 1.171 177.275 176.094 0.016 0.000 1.248 295 V CA -0.012 62.282 62.300 -0.010 0.000 1.156 295 V CB -1.483 30.319 31.823 -0.035 0.000 0.870 295 V HN 0.755 nan 8.190 nan 0.000 0.453 296 G N 0.775 109.589 108.800 0.024 0.000 2.643 296 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.280 296 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.280 296 G C -0.511 174.416 174.900 0.044 0.000 1.120 296 G CA 0.328 45.449 45.100 0.034 0.000 1.165 296 G HN 0.537 nan 8.290 nan 0.000 0.540 297 M N 0.126 119.756 119.600 0.051 0.000 2.573 297 M HA 0.393 4.873 4.480 -0.000 0.000 0.309 297 M C 0.219 176.553 176.300 0.057 0.000 1.202 297 M CA -0.940 54.398 55.300 0.062 0.000 0.975 297 M CB 0.748 33.390 32.600 0.070 0.000 1.600 297 M HN 0.220 nan 8.290 nan 0.000 0.479 298 D N 0.853 121.291 120.400 0.063 0.000 2.449 298 D HA -0.047 4.593 4.640 -0.000 0.000 0.236 298 D C 0.840 177.174 176.300 0.055 0.000 1.149 298 D CA 0.071 54.104 54.000 0.055 0.000 0.878 298 D CB 0.806 41.642 40.800 0.060 0.000 1.198 298 D HN 0.336 nan 8.370 nan 0.000 0.446 299 V N 2.071 122.007 119.914 0.036 0.000 2.343 299 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 299 V C 1.252 177.372 176.094 0.043 0.000 1.051 299 V CA 1.954 64.268 62.300 0.023 0.000 1.036 299 V CB -0.156 31.671 31.823 0.007 0.000 0.654 299 V HN 0.448 nan 8.190 nan 0.000 0.451 300 D N -0.291 120.143 120.400 0.057 0.000 2.092 300 D HA -0.154 4.486 4.640 -0.000 0.000 0.193 300 D C 2.286 178.667 176.300 0.137 0.000 0.994 300 D CA 2.112 56.157 54.000 0.077 0.000 0.828 300 D CB -0.680 40.158 40.800 0.064 0.000 0.963 300 D HN 0.464 nan 8.370 nan 0.000 0.450 301 T N 0.619 115.266 114.554 0.156 0.000 2.684 301 T HA -0.153 4.197 4.350 -0.000 0.000 0.267 301 T C 1.931 176.854 174.700 0.373 0.000 1.036 301 T CA 1.134 63.394 62.100 0.266 0.000 1.148 301 T CB -0.129 68.862 68.868 0.204 0.000 0.863 301 T HN 0.157 nan 8.240 nan 0.000 0.436 302 R N 0.647 121.281 120.500 0.224 0.000 2.189 302 R HA 0.108 4.448 4.340 -0.000 0.000 0.223 302 R C 2.598 178.956 176.300 0.097 0.000 1.092 302 R CA 0.928 57.141 56.100 0.188 0.000 0.989 302 R CB -0.239 30.067 30.300 0.009 0.000 0.876 302 R HN 0.355 nan 8.270 nan 0.000 0.457 303 A N 0.217 123.090 122.820 0.087 0.000 1.935 303 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 303 A C 1.858 179.462 177.584 0.032 0.000 1.178 303 A CA 0.608 52.660 52.037 0.026 0.000 0.640 303 A CB -0.509 18.506 19.000 0.024 0.000 0.825 303 A HN 0.406 nan 8.150 nan 0.000 0.447 304 Y N -0.079 120.244 120.300 0.039 0.000 2.070 304 Y HA -0.255 4.295 4.550 -0.000 0.000 0.280 304 Y C 1.886 177.737 175.900 -0.083 0.000 1.148 304 Y CA 2.052 60.119 58.100 -0.055 0.000 1.125 304 Y CB -0.787 37.595 38.460 -0.129 0.000 0.975 304 Y HN 0.244 nan 8.280 nan 0.000 0.492 305 F N 0.327 120.134 119.950 -0.239 0.000 2.250 305 F HA -0.228 4.299 4.527 -0.000 0.000 0.301 305 F C 2.440 178.176 175.800 -0.107 0.000 1.077 305 F CA 1.957 59.811 58.000 -0.242 0.000 1.348 305 F CB -0.847 38.175 39.000 0.037 0.000 1.040 305 F HN 0.063 nan 8.300 nan 0.000 0.509 306 T N -1.157 113.456 114.554 0.099 0.000 2.777 306 T HA -0.150 4.200 4.350 -0.000 0.000 0.266 306 T C 2.228 176.887 174.700 -0.068 0.000 1.040 306 T CA 1.592 63.720 62.100 0.046 0.000 1.141 306 T CB -0.341 68.484 68.868 -0.071 0.000 0.868 306 T HN 0.185 nan 8.240 nan 0.000 0.444 307 S N 1.723 117.321 115.700 -0.170 0.000 2.343 307 S HA -0.043 4.427 4.470 -0.000 0.000 0.219 307 S C 2.636 177.093 174.600 -0.240 0.000 1.033 307 S CA 1.037 59.123 58.200 -0.190 0.000 1.014 307 S CB -0.792 62.286 63.200 -0.204 0.000 0.915 307 S HN 0.577 nan 8.310 nan 0.000 0.435 308 A N 1.510 124.041 122.820 -0.481 0.000 1.892 308 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 308 A C 2.317 179.781 177.584 -0.200 0.000 1.188 308 A CA 2.273 54.066 52.037 -0.408 0.000 0.631 308 A CB -1.575 16.980 19.000 -0.741 0.000 0.822 308 A HN 0.499 nan 8.150 nan 0.000 0.447 309 T N -0.158 114.311 114.554 -0.141 0.000 2.849 309 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 309 T C 1.796 176.486 174.700 -0.018 0.000 1.066 309 T CA 1.762 63.856 62.100 -0.010 0.000 1.130 309 T CB -0.284 68.671 68.868 0.145 0.000 0.864 309 T HN 0.477 nan 8.240 nan 0.000 0.481 310 M N -0.154 119.424 119.600 -0.036 0.000 2.334 310 M HA 0.187 4.667 4.480 -0.000 0.000 0.266 310 M C 2.054 178.349 176.300 -0.008 0.000 1.082 310 M CA 0.881 56.170 55.300 -0.019 0.000 1.141 310 M CB -0.297 32.289 32.600 -0.022 0.000 1.380 310 M HN 0.176 nan 8.290 nan 0.000 0.440 311 I N 0.786 121.343 120.570 -0.021 0.000 2.236 311 I HA -0.352 3.818 4.170 -0.000 0.000 0.249 311 I C 2.153 178.272 176.117 0.003 0.000 1.102 311 I CA 1.465 62.764 61.300 -0.002 0.000 1.365 311 I CB -0.430 37.563 38.000 -0.011 0.000 1.051 311 I HN 0.291 nan 8.210 nan 0.000 0.420 312 I N 0.790 121.350 120.570 -0.017 0.000 2.315 312 I HA -0.331 3.839 4.170 -0.000 0.000 0.251 312 I C 2.716 178.851 176.117 0.029 0.000 1.125 312 I CA 1.280 62.566 61.300 -0.023 0.000 1.392 312 I CB -0.561 37.414 38.000 -0.040 0.000 1.065 312 I HN 0.238 nan 8.210 nan 0.000 0.424 313 A N 0.978 123.826 122.820 0.046 0.000 2.019 313 A HA -0.148 4.172 4.320 -0.000 0.000 0.219 313 A C 2.230 179.854 177.584 0.067 0.000 1.164 313 A CA 1.244 53.319 52.037 0.062 0.000 0.644 313 A CB -0.590 18.438 19.000 0.047 0.000 0.805 313 A HN 0.389 nan 8.150 nan 0.000 0.449 314 I N 0.495 121.111 120.570 0.077 0.000 2.072 314 I HA -0.152 4.018 4.170 -0.000 0.000 0.235 314 I C -0.189 176.020 176.117 0.153 0.000 1.058 314 I CA 1.531 62.908 61.300 0.128 0.000 1.320 314 I CB -1.323 36.772 38.000 0.158 0.000 1.047 314 I HN 0.213 nan 8.210 nan 0.000 0.397 315 P HA -0.177 nan 4.420 nan 0.000 0.216 315 P C 1.552 178.857 177.300 0.009 0.000 1.153 315 P CA 1.948 65.073 63.100 0.042 0.000 0.858 315 P CB -0.373 31.125 31.700 -0.337 0.000 0.789 316 T N -0.412 114.147 114.554 0.009 0.000 2.759 316 T HA -0.094 4.256 4.350 -0.000 0.000 0.269 316 T C 2.175 176.820 174.700 -0.092 0.000 1.042 316 T CA 1.777 63.882 62.100 0.008 0.000 1.140 316 T CB -1.207 67.774 68.868 0.189 0.000 0.864 316 T HN 0.232 nan 8.240 nan 0.000 0.455 317 G N 1.307 110.069 108.800 -0.062 0.000 2.421 317 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.216 317 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.216 317 G C 1.704 176.459 174.900 -0.241 0.000 1.171 317 G CA 0.871 45.844 45.100 -0.212 0.000 0.775 317 G HN 0.425 nan 8.290 nan 0.000 0.543 318 V N 0.913 120.830 119.914 0.006 0.000 2.317 318 V HA -0.285 3.835 4.120 -0.000 0.000 0.251 318 V C 2.839 178.849 176.094 -0.140 0.000 1.065 318 V CA 2.467 64.804 62.300 0.062 0.000 1.049 318 V CB -0.434 31.497 31.823 0.179 0.000 0.651 318 V HN 0.398 nan 8.190 nan 0.000 0.450 319 K N -0.592 119.596 120.400 -0.354 0.000 2.057 319 K HA -0.097 4.223 4.320 -0.000 0.000 0.206 319 K C 2.091 178.139 176.600 -0.920 0.000 1.050 319 K CA 1.326 57.143 56.287 -0.783 0.000 0.935 319 K CB -0.391 31.428 32.500 -1.136 0.000 0.715 319 K HN 0.360 nan 8.250 nan 0.000 0.439 320 V N 1.159 120.706 119.914 -0.612 0.000 2.287 320 V HA -0.245 3.875 4.120 -0.000 0.000 0.248 320 V C 2.017 178.025 176.094 -0.145 0.000 1.053 320 V CA 1.849 63.969 62.300 -0.300 0.000 1.027 320 V CB -0.580 31.039 31.823 -0.341 0.000 0.646 320 V HN 0.222 nan 8.190 nan 0.000 0.447 321 F N 0.146 120.082 119.950 -0.023 0.000 2.234 321 F HA -0.118 4.409 4.527 -0.000 0.000 0.299 321 F C 2.621 178.380 175.800 -0.067 0.000 1.087 321 F CA 1.060 59.042 58.000 -0.031 0.000 1.340 321 F CB -0.410 38.557 39.000 -0.055 0.000 1.031 321 F HN 0.054 nan 8.300 nan 0.000 0.500 322 S N -0.815 114.931 115.700 0.076 0.000 2.419 322 S HA -0.164 4.306 4.470 -0.000 0.000 0.233 322 S C 1.602 176.324 174.600 0.203 0.000 1.016 322 S CA 0.773 59.054 58.200 0.135 0.000 0.974 322 S CB -0.320 62.947 63.200 0.111 0.000 0.786 322 S HN 0.411 nan 8.310 nan 0.000 0.492 323 W N 1.625 122.985 121.300 0.100 0.000 2.436 323 W HA 0.213 4.873 4.660 -0.000 0.000 0.284 323 W C 1.810 178.373 176.519 0.073 0.000 1.225 323 W CA 0.025 57.422 57.345 0.088 0.000 1.271 323 W CB -0.989 28.515 29.460 0.072 0.000 1.114 323 W HN 0.301 nan 8.180 nan 0.000 0.559 324 L N -0.141 121.260 121.223 0.297 0.000 2.109 324 L HA -0.092 4.248 4.340 -0.000 0.000 0.207 324 L C 2.546 179.458 176.870 0.070 0.000 1.086 324 L CA 1.308 56.254 54.840 0.177 0.000 0.760 324 L CB -1.271 40.904 42.059 0.193 0.000 0.910 324 L HN -0.169 nan 8.230 nan 0.000 0.437 325 A N -0.432 122.364 122.820 -0.041 0.000 2.015 325 A HA -0.143 4.177 4.320 -0.000 0.000 0.219 325 A C 2.296 179.905 177.584 0.043 0.000 1.163 325 A CA 1.980 53.850 52.037 -0.278 0.000 0.646 325 A CB -0.635 17.699 19.000 -1.110 0.000 0.806 325 A HN 0.361 nan 8.150 nan 0.000 0.448 326 T N 0.242 114.913 114.554 0.195 0.000 2.942 326 T HA 0.046 4.396 4.350 -0.000 0.000 0.265 326 T C 1.649 176.440 174.700 0.152 0.000 1.062 326 T CA 1.045 63.294 62.100 0.248 0.000 1.139 326 T CB -0.256 68.792 68.868 0.299 0.000 0.883 326 T HN 0.385 nan 8.240 nan 0.000 0.468 327 L N 0.363 121.661 121.223 0.126 0.000 2.291 327 L HA 0.053 4.393 4.340 -0.000 0.000 0.214 327 L C 1.162 178.083 176.870 0.084 0.000 1.120 327 L CA 0.264 55.141 54.840 0.060 0.000 0.799 327 L CB -0.679 41.400 42.059 0.034 0.000 0.925 327 L HN 0.277 nan 8.230 nan 0.000 0.446 328 H N 1.477 120.543 119.070 -0.006 0.000 3.226 328 H HA 0.177 4.733 4.556 -0.000 0.000 0.260 328 H C 1.100 176.425 175.328 -0.005 0.000 0.967 328 H CA 0.077 56.114 56.048 -0.018 0.000 1.435 328 H CB -0.237 29.495 29.762 -0.050 0.000 1.533 328 H HN 0.300 nan 8.280 nan 0.000 0.525 329 G N 3.358 112.062 108.800 -0.159 0.000 2.176 329 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.252 329 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.252 329 G C 0.596 175.421 174.900 -0.125 0.000 1.024 329 G CA 0.311 45.271 45.100 -0.234 0.000 0.755 329 G HN 1.013 nan 8.290 nan 0.000 0.507 330 G N -0.779 107.976 108.800 -0.076 0.000 2.488 330 G HA2 0.493 4.453 3.960 -0.000 0.000 0.318 330 G HA3 0.493 4.453 3.960 -0.000 0.000 0.318 330 G C -0.051 174.800 174.900 -0.082 0.000 1.188 330 G CA -0.229 44.825 45.100 -0.076 0.000 0.944 330 G HN 0.484 nan 8.290 nan 0.000 0.495 331 N N 0.827 119.473 118.700 -0.090 0.000 2.719 331 N HA 0.071 4.811 4.740 -0.000 0.000 0.243 331 N C 0.201 175.643 175.510 -0.113 0.000 1.104 331 N CA -0.619 52.381 53.050 -0.083 0.000 0.981 331 N CB -0.075 38.365 38.487 -0.079 0.000 1.290 331 N HN 0.115 nan 8.380 nan 0.000 0.513 332 I N 1.812 122.295 120.570 -0.145 0.000 2.587 332 I HA -0.017 4.153 4.170 -0.000 0.000 0.284 332 I C 0.794 176.749 176.117 -0.270 0.000 1.134 332 I CA 0.054 61.186 61.300 -0.279 0.000 1.410 332 I CB -0.235 37.482 38.000 -0.472 0.000 1.392 332 I HN 0.395 nan 8.210 nan 0.000 0.545 333 K N 6.790 127.062 120.400 -0.214 0.000 2.281 333 K HA 0.218 4.538 4.320 -0.000 0.000 0.272 333 K C -0.846 175.640 176.600 -0.189 0.000 1.048 333 K CA -0.264 55.980 56.287 -0.072 0.000 0.898 333 K CB 0.320 32.890 32.500 0.118 0.000 1.128 333 K HN 0.362 nan 8.250 nan 0.000 0.460 334 W N 4.728 125.974 121.300 -0.090 0.000 1.435 334 W HA 0.086 4.746 4.660 -0.000 0.000 0.471 334 W C 0.305 176.694 176.519 -0.217 0.000 0.590 334 W CA -0.489 56.760 57.345 -0.160 0.000 2.419 334 W CB -0.319 29.064 29.460 -0.128 0.000 1.251 334 W HN 0.526 nan 8.180 nan 0.000 0.338 335 S N -0.337 115.240 115.700 -0.204 0.000 2.632 335 S HA 0.330 4.800 4.470 -0.000 0.000 0.267 335 S C -1.524 172.885 174.600 -0.318 0.000 1.276 335 S CA -1.216 56.800 58.200 -0.307 0.000 0.998 335 S CB 1.730 64.512 63.200 -0.696 0.000 0.953 335 S HN -0.036 nan 8.310 nan 0.000 0.547 336 P HA -0.029 nan 4.420 nan 0.000 0.215 336 P C 1.598 178.846 177.300 -0.087 0.000 1.153 336 P CA 1.882 64.919 63.100 -0.105 0.000 0.853 336 P CB -0.254 31.511 31.700 0.107 0.000 0.788 337 A N -0.925 121.804 122.820 -0.152 0.000 1.908 337 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 337 A C 2.221 179.657 177.584 -0.247 0.000 1.181 337 A CA 2.188 54.155 52.037 -0.116 0.000 0.627 337 A CB -1.473 17.408 19.000 -0.199 0.000 0.818 337 A HN 0.104 nan 8.150 nan 0.000 0.445 338 M N -0.137 119.135 119.600 -0.547 0.000 2.067 338 M HA -0.108 4.372 4.480 -0.000 0.000 0.260 338 M C 2.124 178.224 176.300 -0.334 0.000 1.069 338 M CA 1.964 57.015 55.300 -0.416 0.000 1.117 338 M CB -0.752 31.548 32.600 -0.499 0.000 1.334 338 M HN 0.446 nan 8.290 nan 0.000 0.407 339 M N -1.870 117.445 119.600 -0.475 0.000 2.106 339 M HA -0.264 4.216 4.480 -0.000 0.000 0.259 339 M C 2.010 177.771 176.300 -0.898 0.000 1.068 339 M CA 2.030 56.829 55.300 -0.835 0.000 1.100 339 M CB -0.871 30.934 32.600 -1.325 0.000 1.351 339 M HN 0.381 nan 8.290 nan 0.000 0.404 340 W N 0.249 121.271 121.300 -0.463 0.000 2.388 340 W HA -0.074 4.586 4.660 -0.000 0.000 0.294 340 W C 2.770 179.409 176.519 0.200 0.000 1.212 340 W CA 1.218 58.577 57.345 0.025 0.000 1.271 340 W CB -0.487 28.982 29.460 0.016 0.000 1.126 340 W HN 0.220 nan 8.180 nan 0.000 0.535 341 A N -0.095 122.833 122.820 0.180 0.000 1.930 341 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 341 A C 1.939 179.612 177.584 0.149 0.000 1.175 341 A CA 1.268 53.355 52.037 0.083 0.000 0.627 341 A CB -0.853 18.088 19.000 -0.099 0.000 0.815 341 A HN 0.291 nan 8.150 nan 0.000 0.443 342 L N -0.985 120.292 121.223 0.091 0.000 2.072 342 L HA -0.059 4.281 4.340 -0.000 0.000 0.205 342 L C 2.867 179.917 176.870 0.301 0.000 1.079 342 L CA 1.007 55.920 54.840 0.122 0.000 0.752 342 L CB -0.891 41.169 42.059 0.002 0.000 0.906 342 L HN 0.480 nan 8.230 nan 0.000 0.436 343 G N -0.019 109.044 108.800 0.439 0.000 2.446 343 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.217 343 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.217 343 G C 1.505 176.756 174.900 0.585 0.000 1.168 343 G CA 0.773 46.291 45.100 0.695 0.000 0.771 343 G HN 0.298 nan 8.290 nan 0.000 0.551 344 F N 1.643 121.887 119.950 0.490 0.000 2.065 344 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 344 F C 2.533 178.499 175.800 0.276 0.000 1.112 344 F CA 1.662 59.857 58.000 0.326 0.000 1.212 344 F CB -0.222 38.930 39.000 0.253 0.000 0.975 344 F HN 0.126 nan 8.300 nan 0.000 0.476 345 I N -0.792 120.069 120.570 0.485 0.000 2.208 345 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 345 I C 2.353 178.677 176.117 0.345 0.000 1.097 345 I CA 1.545 63.092 61.300 0.412 0.000 1.363 345 I CB -0.778 37.444 38.000 0.370 0.000 1.051 345 I HN 0.240 nan 8.210 nan 0.000 0.413 346 F N 2.027 122.087 119.950 0.183 0.000 2.039 346 F HA -0.165 4.362 4.527 -0.000 0.000 0.294 346 F C 2.276 178.138 175.800 0.104 0.000 1.130 346 F CA 1.611 59.701 58.000 0.150 0.000 1.189 346 F CB -0.657 38.450 39.000 0.179 0.000 0.983 346 F HN -0.154 nan 8.300 nan 0.000 0.471 347 L N -0.820 120.370 121.223 -0.054 0.000 2.042 347 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 347 L C 2.552 179.298 176.870 -0.207 0.000 1.076 347 L CA 1.856 56.557 54.840 -0.231 0.000 0.749 347 L CB -1.124 40.743 42.059 -0.319 0.000 0.893 347 L HN 0.268 nan 8.230 nan 0.000 0.432 348 F N 0.893 120.614 119.950 -0.381 0.000 2.171 348 F HA -0.228 4.299 4.527 -0.000 0.000 0.300 348 F C 2.426 178.126 175.800 -0.166 0.000 1.090 348 F CA 1.978 59.750 58.000 -0.379 0.000 1.293 348 F CB -0.303 38.285 39.000 -0.686 0.000 1.013 348 F HN -0.070 nan 8.300 nan 0.000 0.486 349 T N 0.208 114.660 114.554 -0.171 0.000 2.708 349 T HA -0.163 4.187 4.350 -0.000 0.000 0.266 349 T C 2.153 176.685 174.700 -0.280 0.000 1.037 349 T CA 1.546 63.529 62.100 -0.196 0.000 1.146 349 T CB -0.678 68.197 68.868 0.010 0.000 0.865 349 T HN 0.137 nan 8.240 nan 0.000 0.435 350 V N 1.501 121.227 119.914 -0.314 0.000 2.233 350 V HA -0.174 3.946 4.120 -0.000 0.000 0.247 350 V C 2.880 178.803 176.094 -0.285 0.000 1.050 350 V CA 2.204 64.303 62.300 -0.334 0.000 1.010 350 V CB -1.380 30.165 31.823 -0.462 0.000 0.637 350 V HN 0.615 nan 8.190 nan 0.000 0.444 351 G N -0.423 108.227 108.800 -0.250 0.000 2.440 351 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 351 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 351 G C 1.624 176.400 174.900 -0.207 0.000 1.154 351 G CA 0.985 45.949 45.100 -0.226 0.000 0.767 351 G HN 0.618 nan 8.290 nan 0.000 0.552 352 G N 0.835 109.380 108.800 -0.425 0.000 2.440 352 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.218 352 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.218 352 G C 1.818 176.641 174.900 -0.128 0.000 1.154 352 G CA 0.774 45.675 45.100 -0.332 0.000 0.767 352 G HN 0.426 nan 8.290 nan 0.000 0.552 353 L N 1.074 122.211 121.223 -0.144 0.000 2.046 353 L HA -0.102 4.237 4.340 -0.000 0.000 0.208 353 L C 3.394 180.235 176.870 -0.048 0.000 1.077 353 L CA 1.813 56.605 54.840 -0.081 0.000 0.747 353 L CB -0.812 41.196 42.059 -0.086 0.000 0.896 353 L HN 0.439 nan 8.230 nan 0.000 0.432 354 T N -3.398 111.124 114.554 -0.054 0.000 2.881 354 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 354 T C 1.901 176.575 174.700 -0.044 0.000 1.068 354 T CA 0.972 63.057 62.100 -0.025 0.000 1.131 354 T CB -0.875 67.891 68.868 -0.169 0.000 0.871 354 T HN 0.409 nan 8.240 nan 0.000 0.479 355 G N 1.653 110.418 108.800 -0.057 0.000 2.422 355 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.218 355 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.218 355 G C 1.453 176.235 174.900 -0.197 0.000 1.146 355 G CA 0.573 45.458 45.100 -0.358 0.000 0.769 355 G HN 0.459 nan 8.290 nan 0.000 0.547 356 I N 0.951 121.471 120.570 -0.083 0.000 2.394 356 I HA -0.069 4.101 4.170 -0.000 0.000 0.251 356 I C 2.874 178.968 176.117 -0.038 0.000 1.136 356 I CA 0.526 61.795 61.300 -0.051 0.000 1.425 356 I CB -0.800 37.185 38.000 -0.024 0.000 1.079 356 I HN 0.030 nan 8.210 nan 0.000 0.425 357 V N 1.036 120.943 119.914 -0.011 0.000 2.295 357 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 357 V C 2.455 178.547 176.094 -0.002 0.000 1.049 357 V CA 1.470 63.783 62.300 0.021 0.000 1.024 357 V CB -0.537 31.367 31.823 0.135 0.000 0.648 357 V HN 0.309 nan 8.190 nan 0.000 0.447 358 L N 0.291 121.505 121.223 -0.014 0.000 2.465 358 L HA -0.011 4.329 4.340 -0.000 0.000 0.224 358 L C 2.473 179.331 176.870 -0.020 0.000 1.145 358 L CA 0.946 55.764 54.840 -0.036 0.000 0.834 358 L CB -0.689 41.295 42.059 -0.126 0.000 0.944 358 L HN 0.319 nan 8.230 nan 0.000 0.451 359 A N -0.535 122.254 122.820 -0.051 0.000 2.121 359 A HA -0.067 4.253 4.320 -0.000 0.000 0.218 359 A C 0.880 178.507 177.584 0.073 0.000 1.154 359 A CA 0.586 52.639 52.037 0.025 0.000 0.679 359 A CB -0.469 18.517 19.000 -0.025 0.000 0.795 359 A HN 0.402 nan 8.150 nan 0.000 0.458 360 N N 1.251 119.935 118.700 -0.027 0.000 2.439 360 N HA 0.109 4.849 4.740 -0.000 0.000 0.243 360 N C 1.063 176.405 175.510 -0.281 0.000 1.088 360 N CA 0.626 53.597 53.050 -0.132 0.000 0.940 360 N CB 1.166 39.593 38.487 -0.100 0.000 1.180 360 N HN 0.453 nan 8.380 nan 0.000 0.505 361 S N 1.767 117.065 115.700 -0.671 0.000 2.381 361 S HA -0.255 4.215 4.470 -0.000 0.000 0.230 361 S C 1.965 176.291 174.600 -0.458 0.000 1.052 361 S CA 1.419 58.945 58.200 -1.124 0.000 1.068 361 S CB -0.310 62.129 63.200 -1.269 0.000 0.918 361 S HN 0.481 nan 8.310 nan 0.000 0.448 362 S N 2.016 117.535 115.700 -0.301 0.000 2.377 362 S HA -0.048 4.422 4.470 -0.000 0.000 0.224 362 S C 1.806 176.333 174.600 -0.121 0.000 1.042 362 S CA 1.616 59.714 58.200 -0.170 0.000 1.086 362 S CB -0.710 62.411 63.200 -0.131 0.000 0.995 362 S HN 0.427 nan 8.310 nan 0.000 0.428 363 L N 0.954 122.109 121.223 -0.113 0.000 2.201 363 L HA -0.142 4.198 4.340 -0.000 0.000 0.212 363 L C 2.189 179.020 176.870 -0.065 0.000 1.105 363 L CA 1.240 56.025 54.840 -0.092 0.000 0.775 363 L CB -0.434 41.565 42.059 -0.100 0.000 0.913 363 L HN 0.321 nan 8.230 nan 0.000 0.440 364 D N 0.065 120.442 120.400 -0.037 0.000 2.178 364 D HA -0.194 4.446 4.640 -0.000 0.000 0.202 364 D C 2.160 178.517 176.300 0.095 0.000 0.974 364 D CA 0.788 54.829 54.000 0.068 0.000 0.841 364 D CB 0.181 41.113 40.800 0.220 0.000 0.953 364 D HN 0.069 nan 8.370 nan 0.000 0.478 365 I N 0.394 120.984 120.570 0.033 0.000 2.185 365 I HA -0.231 3.939 4.170 -0.000 0.000 0.246 365 I C 2.207 178.360 176.117 0.060 0.000 1.088 365 I CA 0.919 62.248 61.300 0.048 0.000 1.347 365 I CB -0.951 37.048 38.000 -0.001 0.000 1.041 365 I HN 0.062 nan 8.210 nan 0.000 0.415 366 V N -0.090 119.835 119.914 0.018 0.000 2.878 366 V HA -0.057 4.063 4.120 -0.000 0.000 0.250 366 V C 2.244 178.335 176.094 -0.004 0.000 1.075 366 V CA 0.716 63.019 62.300 0.004 0.000 1.096 366 V CB -0.070 31.735 31.823 -0.030 0.000 0.724 366 V HN 0.285 nan 8.190 nan 0.000 0.467 367 L N -1.066 120.153 121.223 -0.006 0.000 2.354 367 L HA 0.180 4.520 4.340 -0.000 0.000 0.212 367 L C 1.324 178.221 176.870 0.045 0.000 1.091 367 L CA 0.054 54.884 54.840 -0.017 0.000 0.828 367 L CB -0.343 41.664 42.059 -0.086 0.000 0.973 367 L HN 0.390 nan 8.230 nan 0.000 0.461 368 H N 1.021 120.110 119.070 0.032 0.000 3.038 368 H HA -0.137 4.419 4.556 -0.000 0.000 0.338 368 H C 0.550 175.905 175.328 0.045 0.000 1.041 368 H CA 0.700 56.777 56.048 0.048 0.000 1.394 368 H CB 0.171 29.972 29.762 0.065 0.000 1.357 368 H HN 0.129 nan 8.280 nan 0.000 0.600 369 D N 1.920 121.711 120.400 -1.015 0.000 2.911 369 D HA -0.212 4.428 4.640 -0.000 0.000 0.227 369 D C -0.350 175.793 176.300 -0.262 0.000 1.164 369 D CA 1.454 55.080 54.000 -0.624 0.000 0.782 369 D CB -0.842 39.630 40.800 -0.547 0.000 1.094 369 D HN 0.769 nan 8.370 nan 0.000 0.425 370 T N -4.174 110.276 114.554 -0.174 0.000 2.927 370 T HA 0.415 4.765 4.350 -0.000 0.000 0.286 370 T C 1.013 175.663 174.700 -0.084 0.000 1.040 370 T CA -0.732 61.308 62.100 -0.099 0.000 1.010 370 T CB 0.804 69.650 68.868 -0.036 0.000 1.177 370 T HN -0.055 nan 8.240 nan 0.000 0.546 371 Y N -0.607 119.638 120.300 -0.091 0.000 2.680 371 Y HA 0.064 4.614 4.550 -0.000 0.000 0.303 371 Y C 1.841 177.687 175.900 -0.090 0.000 1.166 371 Y CA 0.579 58.621 58.100 -0.096 0.000 1.344 371 Y CB -0.512 37.857 38.460 -0.152 0.000 1.002 371 Y HN 0.814 nan 8.280 nan 0.000 0.537 372 Y N -1.297 118.961 120.300 -0.070 0.000 2.263 372 Y HA -0.194 4.356 4.550 -0.000 0.000 0.292 372 Y C 2.141 177.990 175.900 -0.085 0.000 1.130 372 Y CA 1.176 59.214 58.100 -0.104 0.000 1.179 372 Y CB -0.097 38.326 38.460 -0.063 0.000 0.998 372 Y HN -0.109 nan 8.280 nan 0.000 0.532 373 V N -1.079 118.883 119.914 0.081 0.000 2.358 373 V HA -0.289 3.831 4.120 -0.000 0.000 0.246 373 V C 2.167 178.287 176.094 0.042 0.000 1.047 373 V CA 1.677 64.042 62.300 0.109 0.000 1.035 373 V CB -0.747 31.157 31.823 0.134 0.000 0.658 373 V HN 0.291 nan 8.190 nan 0.000 0.452 374 V N 0.386 120.216 119.914 -0.139 0.000 2.594 374 V HA -0.204 3.916 4.120 -0.000 0.000 0.253 374 V C 2.576 178.359 176.094 -0.518 0.000 1.069 374 V CA 1.874 63.905 62.300 -0.449 0.000 1.082 374 V CB -0.967 30.617 31.823 -0.400 0.000 0.680 374 V HN 0.560 nan 8.190 nan 0.000 0.469 375 A N -0.520 122.061 122.820 -0.399 0.000 1.975 375 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 375 A C 2.055 179.376 177.584 -0.438 0.000 1.170 375 A CA 1.476 53.205 52.037 -0.515 0.000 0.656 375 A CB -0.631 17.717 19.000 -1.087 0.000 0.821 375 A HN 0.725 nan 8.150 nan 0.000 0.449 376 H N 0.439 119.238 119.070 -0.451 0.000 2.256 376 H HA -0.203 4.353 4.556 -0.000 0.000 0.299 376 H C 1.672 176.905 175.328 -0.158 0.000 1.071 376 H CA 2.535 58.415 56.048 -0.280 0.000 1.280 376 H CB -0.747 28.904 29.762 -0.185 0.000 1.370 376 H HN 0.561 nan 8.280 nan 0.000 0.490 377 F N -1.161 118.489 119.950 -0.500 0.000 2.407 377 F HA 0.049 4.576 4.527 -0.000 0.000 0.299 377 F C 1.843 177.305 175.800 -0.564 0.000 1.097 377 F CA 0.957 58.607 58.000 -0.582 0.000 1.422 377 F CB -0.803 37.996 39.000 -0.334 0.000 1.067 377 F HN 0.178 nan 8.300 nan 0.000 0.539 378 H N -1.599 116.988 119.070 -0.804 0.000 2.495 378 H HA -0.010 4.546 4.556 -0.000 0.000 0.287 378 H C 1.293 176.200 175.328 -0.702 0.000 1.033 378 H CA 1.859 57.391 56.048 -0.861 0.000 1.307 378 H CB -0.221 28.652 29.762 -1.482 0.000 1.401 378 H HN 0.316 nan 8.280 nan 0.000 0.555 379 Y N -0.418 119.584 120.300 -0.495 0.000 2.177 379 Y HA -0.165 4.385 4.550 -0.000 0.000 0.291 379 Y C 2.520 178.200 175.900 -0.368 0.000 1.117 379 Y CA 1.237 59.102 58.100 -0.391 0.000 1.114 379 Y CB -0.474 37.787 38.460 -0.331 0.000 1.017 379 Y HN 0.057 nan 8.280 nan 0.000 0.505 380 V N -1.378 118.366 119.914 -0.283 0.000 2.244 380 V HA -0.217 3.903 4.120 -0.000 0.000 0.244 380 V C 2.062 178.091 176.094 -0.108 0.000 1.042 380 V CA 1.750 63.914 62.300 -0.227 0.000 1.006 380 V CB -1.314 30.310 31.823 -0.332 0.000 0.641 380 V HN 0.316 nan 8.190 nan 0.000 0.446 381 L N 0.716 121.826 121.223 -0.188 0.000 2.022 381 L HA 0.059 4.399 4.340 -0.000 0.000 0.204 381 L C 2.630 179.408 176.870 -0.152 0.000 1.076 381 L CA 2.287 57.032 54.840 -0.158 0.000 0.749 381 L CB -0.895 41.042 42.059 -0.204 0.000 0.903 381 L HN 0.335 nan 8.230 nan 0.000 0.439 382 S N -0.288 115.263 115.700 -0.248 0.000 2.365 382 S HA -0.256 4.214 4.470 -0.000 0.000 0.221 382 S C 1.947 176.491 174.600 -0.093 0.000 1.037 382 S CA 2.293 60.371 58.200 -0.203 0.000 1.060 382 S CB -0.457 62.546 63.200 -0.329 0.000 0.974 382 S HN 0.419 nan 8.310 nan 0.000 0.427 383 M N 0.829 120.292 119.600 -0.228 0.000 2.175 383 M HA -0.024 4.456 4.480 -0.000 0.000 0.264 383 M C 2.405 178.669 176.300 -0.059 0.000 1.063 383 M CA 1.297 56.454 55.300 -0.239 0.000 1.119 383 M CB -0.802 31.401 32.600 -0.662 0.000 1.377 383 M HN 0.486 nan 8.290 nan 0.000 0.415 384 G N 0.106 108.870 108.800 -0.060 0.000 2.511 384 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.216 384 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.216 384 G C 1.588 176.759 174.900 0.451 0.000 1.218 384 G CA 1.094 46.260 45.100 0.111 0.000 0.788 384 G HN 0.523 nan 8.290 nan 0.000 0.560 385 A N -0.065 122.904 122.820 0.248 0.000 1.851 385 A HA 0.005 4.325 4.320 -0.000 0.000 0.216 385 A C 2.642 180.366 177.584 0.233 0.000 1.195 385 A CA 2.245 54.399 52.037 0.195 0.000 0.622 385 A CB -0.971 18.058 19.000 0.049 0.000 0.831 385 A HN 0.334 nan 8.150 nan 0.000 0.444 386 V N -1.188 118.865 119.914 0.232 0.000 2.324 386 V HA -0.303 3.817 4.120 -0.000 0.000 0.250 386 V C 2.359 178.651 176.094 0.330 0.000 1.060 386 V CA 2.295 64.744 62.300 0.247 0.000 1.042 386 V CB -0.960 31.023 31.823 0.267 0.000 0.650 386 V HN 0.599 nan 8.190 nan 0.000 0.450 387 F N 0.086 120.209 119.950 0.289 0.000 2.146 387 F HA -0.129 4.398 4.527 -0.000 0.000 0.298 387 F C 2.441 178.439 175.800 0.330 0.000 1.096 387 F CA 1.048 59.335 58.000 0.479 0.000 1.275 387 F CB -0.421 38.974 39.000 0.659 0.000 1.008 387 F HN 0.118 nan 8.300 nan 0.000 0.480 388 A N 0.449 123.532 122.820 0.437 0.000 1.877 388 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 388 A C 2.146 179.741 177.584 0.018 0.000 1.186 388 A CA 1.511 53.596 52.037 0.081 0.000 0.620 388 A CB -1.044 17.932 19.000 -0.039 0.000 0.822 388 A HN 0.384 nan 8.150 nan 0.000 0.443 389 I N -0.914 119.707 120.570 0.085 0.000 2.208 389 I HA -0.283 3.887 4.170 -0.000 0.000 0.245 389 I C 2.569 178.732 176.117 0.077 0.000 1.097 389 I CA 1.225 62.604 61.300 0.131 0.000 1.363 389 I CB -0.192 37.919 38.000 0.185 0.000 1.051 389 I HN 0.262 nan 8.210 nan 0.000 0.413 390 M N 0.164 119.662 119.600 -0.169 0.000 2.159 390 M HA -0.096 4.384 4.480 -0.000 0.000 0.263 390 M C 2.308 178.357 176.300 -0.420 0.000 1.063 390 M CA 1.723 56.702 55.300 -0.535 0.000 1.110 390 M CB -1.937 29.657 32.600 -1.676 0.000 1.374 390 M HN 0.282 nan 8.290 nan 0.000 0.411 391 G N -0.538 108.132 108.800 -0.217 0.000 2.433 391 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.216 391 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.216 391 G C 1.589 176.482 174.900 -0.012 0.000 1.186 391 G CA 0.971 46.061 45.100 -0.017 0.000 0.779 391 G HN 0.540 nan 8.290 nan 0.000 0.543 392 G N 0.289 109.054 108.800 -0.059 0.000 2.442 392 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.219 392 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.219 392 G C 1.603 176.695 174.900 0.319 0.000 1.141 392 G CA 1.010 46.074 45.100 -0.060 0.000 0.763 392 G HN 0.322 nan 8.290 nan 0.000 0.554 393 F N 2.004 122.143 119.950 0.315 0.000 2.026 393 F HA -0.179 4.348 4.527 -0.000 0.000 0.296 393 F C 2.868 178.816 175.800 0.245 0.000 1.133 393 F CA 2.154 60.430 58.000 0.459 0.000 1.188 393 F CB -0.731 38.438 39.000 0.280 0.000 0.968 393 F HN 0.081 nan 8.300 nan 0.000 0.476 394 V N -1.382 118.547 119.914 0.025 0.000 2.594 394 V HA -0.258 3.862 4.120 -0.000 0.000 0.253 394 V C 2.408 178.499 176.094 -0.005 0.000 1.069 394 V CA 2.317 64.571 62.300 -0.076 0.000 1.082 394 V CB -1.500 30.362 31.823 0.065 0.000 0.680 394 V HN 0.550 nan 8.190 nan 0.000 0.469 395 H N -0.393 118.603 119.070 -0.122 0.000 2.299 395 H HA -0.090 4.466 4.556 -0.000 0.000 0.302 395 H C 1.789 176.981 175.328 -0.228 0.000 1.078 395 H CA 2.246 58.145 56.048 -0.249 0.000 1.323 395 H CB -0.280 29.120 29.762 -0.604 0.000 1.381 395 H HN 0.566 nan 8.280 nan 0.000 0.498 396 W N -0.138 120.976 121.300 -0.309 0.000 3.290 396 W HA 0.039 4.699 4.660 -0.000 0.000 0.287 396 W C 1.598 177.496 176.519 -1.036 0.000 1.288 396 W CA -0.320 56.527 57.345 -0.831 0.000 1.725 396 W CB -0.861 27.896 29.460 -1.172 0.000 1.103 396 W HN 0.195 nan 8.180 nan 0.000 0.670 397 F N 2.857 122.461 119.950 -0.577 0.000 2.065 397 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 397 F C -0.722 174.855 175.800 -0.371 0.000 1.112 397 F CA 1.896 59.555 58.000 -0.568 0.000 1.212 397 F CB -1.460 37.136 39.000 -0.674 0.000 0.975 397 F HN -0.258 nan 8.300 nan 0.000 0.476 398 P HA -0.197 nan 4.420 nan 0.000 0.216 398 P C 1.834 178.993 177.300 -0.235 0.000 1.150 398 P CA 1.421 64.435 63.100 -0.144 0.000 0.837 398 P CB -0.162 31.606 31.700 0.113 0.000 0.786 399 L N -1.577 119.429 121.223 -0.361 0.000 2.046 399 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 399 L C 1.972 178.554 176.870 -0.481 0.000 1.077 399 L CA 2.078 56.557 54.840 -0.602 0.000 0.747 399 L CB -1.406 39.856 42.059 -1.328 0.000 0.896 399 L HN -0.151 nan 8.230 nan 0.000 0.432 400 F N -0.317 119.210 119.950 -0.705 0.000 2.163 400 F HA -0.038 4.489 4.527 -0.000 0.000 0.297 400 F C 2.793 178.323 175.800 -0.450 0.000 1.094 400 F CA 1.040 58.526 58.000 -0.856 0.000 1.290 400 F CB -1.513 36.921 39.000 -0.943 0.000 1.017 400 F HN 0.375 nan 8.300 nan 0.000 0.483 401 S N -1.608 113.846 115.700 -0.410 0.000 2.475 401 S HA 0.411 4.881 4.470 -0.000 0.000 0.224 401 S C 1.866 176.180 174.600 -0.476 0.000 1.042 401 S CA 0.545 58.507 58.200 -0.398 0.000 0.935 401 S CB 0.295 63.040 63.200 -0.758 0.000 0.801 401 S HN 0.515 nan 8.310 nan 0.000 0.509 402 G N -0.086 108.448 108.800 -0.443 0.000 2.176 402 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.232 402 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.232 402 G C -0.186 174.482 174.900 -0.386 0.000 0.986 402 G CA 0.251 45.118 45.100 -0.387 0.000 0.643 402 G HN 0.496 nan 8.290 nan 0.000 0.522 403 Y N 0.991 121.210 120.300 -0.135 0.000 2.602 403 Y HA 0.732 5.282 4.550 -0.000 0.000 0.330 403 Y C 0.960 176.891 175.900 0.052 0.000 1.114 403 Y CA -0.606 57.474 58.100 -0.033 0.000 1.182 403 Y CB 1.473 39.924 38.460 -0.015 0.000 1.305 403 Y HN 0.314 nan 8.280 nan 0.000 0.502 404 T N -0.695 114.035 114.554 0.294 0.000 2.912 404 T HA 0.767 5.117 4.350 -0.000 0.000 0.288 404 T C -0.652 174.133 174.700 0.141 0.000 1.030 404 T CA -0.904 61.319 62.100 0.205 0.000 1.020 404 T CB 1.019 69.963 68.868 0.127 0.000 1.056 404 T HN 0.442 nan 8.240 nan 0.000 0.480 405 L N 2.066 123.333 121.223 0.072 0.000 2.439 405 L HA 0.432 4.772 4.340 -0.000 0.000 0.259 405 L C 1.048 177.942 176.870 0.040 0.000 1.129 405 L CA -1.065 53.755 54.840 -0.034 0.000 0.803 405 L CB 0.624 42.616 42.059 -0.112 0.000 1.161 405 L HN 0.728 nan 8.230 nan 0.000 0.462 406 N N 1.076 119.826 118.700 0.083 0.000 2.439 406 N HA -0.033 4.707 4.740 -0.000 0.000 0.243 406 N C 0.111 175.715 175.510 0.156 0.000 1.088 406 N CA -0.185 52.956 53.050 0.151 0.000 0.940 406 N CB 0.919 39.598 38.487 0.319 0.000 1.180 406 N HN 0.568 nan 8.380 nan 0.000 0.505 407 D N 2.288 122.744 120.400 0.093 0.000 2.172 407 D HA -0.150 4.490 4.640 -0.000 0.000 0.196 407 D C 1.217 177.567 176.300 0.083 0.000 0.999 407 D CA 1.605 55.654 54.000 0.082 0.000 0.856 407 D CB 0.183 41.011 40.800 0.045 0.000 0.934 407 D HN 0.547 nan 8.370 nan 0.000 0.453 408 T N -0.886 113.687 114.554 0.031 0.000 2.737 408 T HA -0.157 4.193 4.350 -0.000 0.000 0.265 408 T C 1.735 176.446 174.700 0.017 0.000 1.038 408 T CA 0.968 63.043 62.100 -0.042 0.000 1.144 408 T CB -0.523 68.243 68.868 -0.169 0.000 0.866 408 T HN 0.347 nan 8.240 nan 0.000 0.434 409 W N 1.377 122.745 121.300 0.113 0.000 2.318 409 W HA -0.127 4.533 4.660 -0.000 0.000 0.313 409 W C 2.891 179.530 176.519 0.200 0.000 1.221 409 W CA 0.712 58.155 57.345 0.163 0.000 1.266 409 W CB -0.388 29.180 29.460 0.180 0.000 1.150 409 W HN 0.226 nan 8.180 nan 0.000 0.496 410 A N 0.396 123.477 122.820 0.435 0.000 1.908 410 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 410 A C 1.813 179.648 177.584 0.418 0.000 1.181 410 A CA 2.142 54.430 52.037 0.419 0.000 0.627 410 A CB -0.753 18.429 19.000 0.303 0.000 0.818 410 A HN 0.328 nan 8.150 nan 0.000 0.445 411 K N -0.522 120.030 120.400 0.253 0.000 2.097 411 K HA -0.054 4.266 4.320 -0.000 0.000 0.206 411 K C 1.771 178.504 176.600 0.221 0.000 1.049 411 K CA 1.519 57.907 56.287 0.170 0.000 0.933 411 K CB -0.363 32.174 32.500 0.061 0.000 0.717 411 K HN 0.557 nan 8.250 nan 0.000 0.442 412 I N 0.430 121.146 120.570 0.243 0.000 2.226 412 I HA -0.305 3.865 4.170 -0.000 0.000 0.245 412 I C 2.674 178.978 176.117 0.311 0.000 1.100 412 I CA 1.230 62.677 61.300 0.246 0.000 1.374 412 I CB -0.456 37.719 38.000 0.291 0.000 1.057 412 I HN 0.355 nan 8.210 nan 0.000 0.413 413 H N 0.878 120.143 119.070 0.325 0.000 2.319 413 H HA -0.279 4.277 4.556 -0.000 0.000 0.299 413 H C 2.314 177.817 175.328 0.292 0.000 1.092 413 H CA 2.195 58.452 56.048 0.347 0.000 1.302 413 H CB -0.189 29.837 29.762 0.442 0.000 1.373 413 H HN 0.312 nan 8.280 nan 0.000 0.497 414 F N 1.587 121.498 119.950 -0.065 0.000 2.095 414 F HA -0.184 4.343 4.527 -0.000 0.000 0.298 414 F C 2.649 178.236 175.800 -0.356 0.000 1.104 414 F CA 1.790 59.386 58.000 -0.674 0.000 1.232 414 F CB -0.817 37.663 39.000 -0.866 0.000 0.987 414 F HN 0.245 nan 8.300 nan 0.000 0.475 415 A N 0.895 123.595 122.820 -0.200 0.000 1.883 415 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 415 A C 2.300 179.823 177.584 -0.103 0.000 1.186 415 A CA 2.193 54.137 52.037 -0.155 0.000 0.624 415 A CB -1.315 17.699 19.000 0.022 0.000 0.822 415 A HN 0.519 nan 8.150 nan 0.000 0.444 416 I N -1.631 118.923 120.570 -0.026 0.000 2.226 416 I HA -0.260 3.910 4.170 -0.000 0.000 0.245 416 I C 2.634 178.748 176.117 -0.006 0.000 1.100 416 I CA 1.801 63.116 61.300 0.026 0.000 1.374 416 I CB -0.286 37.773 38.000 0.099 0.000 1.057 416 I HN 0.350 nan 8.210 nan 0.000 0.413 417 M N 0.432 119.987 119.600 -0.076 0.000 2.117 417 M HA -0.212 4.268 4.480 -0.000 0.000 0.262 417 M C 2.061 178.365 176.300 0.007 0.000 1.065 417 M CA 1.831 57.117 55.300 -0.023 0.000 1.114 417 M CB -0.581 31.994 32.600 -0.040 0.000 1.361 417 M HN 0.165 nan 8.290 nan 0.000 0.408 418 F N -0.409 119.361 119.950 -0.301 0.000 2.069 418 F HA -0.217 4.310 4.527 -0.000 0.000 0.298 418 F C 1.998 177.760 175.800 -0.062 0.000 1.113 418 F CA 1.944 59.826 58.000 -0.196 0.000 1.214 418 F CB -0.735 37.941 39.000 -0.540 0.000 0.978 418 F HN -0.029 nan 8.300 nan 0.000 0.474 419 V N 0.369 120.256 119.914 -0.045 0.000 2.255 419 V HA -0.283 3.837 4.120 -0.000 0.000 0.247 419 V C 2.783 178.832 176.094 -0.075 0.000 1.051 419 V CA 2.036 64.307 62.300 -0.048 0.000 1.018 419 V CB -1.775 30.066 31.823 0.029 0.000 0.641 419 V HN 0.548 nan 8.190 nan 0.000 0.445 420 G N 0.663 109.448 108.800 -0.024 0.000 2.553 420 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 420 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 420 G C 1.761 176.649 174.900 -0.020 0.000 1.195 420 G CA 2.134 47.235 45.100 0.002 0.000 0.779 420 G HN 0.645 nan 8.290 nan 0.000 0.577 421 V N -0.721 119.196 119.914 0.005 0.000 2.427 421 V HA -0.148 3.972 4.120 -0.000 0.000 0.248 421 V C 2.249 178.346 176.094 0.005 0.000 1.051 421 V CA 2.185 64.528 62.300 0.071 0.000 1.048 421 V CB -0.613 31.262 31.823 0.086 0.000 0.666 421 V HN 0.310 nan 8.190 nan 0.000 0.456 422 N N 0.293 118.903 118.700 -0.149 0.000 2.171 422 N HA -0.072 4.668 4.740 -0.000 0.000 0.184 422 N C 1.891 177.423 175.510 0.038 0.000 1.021 422 N CA 1.990 55.002 53.050 -0.063 0.000 0.854 422 N CB -0.267 38.080 38.487 -0.233 0.000 0.994 422 N HN 0.574 nan 8.380 nan 0.000 0.426 423 M N 1.024 120.606 119.600 -0.030 0.000 2.213 423 M HA -0.114 4.366 4.480 -0.000 0.000 0.263 423 M C 1.450 177.703 176.300 -0.077 0.000 1.062 423 M CA 1.261 56.557 55.300 -0.006 0.000 1.105 423 M CB -0.021 32.572 32.600 -0.011 0.000 1.385 423 M HN 0.003 nan 8.290 nan 0.000 0.417 424 T N -0.224 114.207 114.554 -0.204 0.000 2.809 424 T HA -0.006 4.344 4.350 -0.000 0.000 0.260 424 T C 0.991 175.277 174.700 -0.690 0.000 1.039 424 T CA 1.289 63.068 62.100 -0.535 0.000 1.141 424 T CB -0.216 68.126 68.868 -0.877 0.000 0.869 424 T HN 0.427 nan 8.240 nan 0.000 0.437 425 F N -0.600 119.333 119.950 -0.029 0.000 2.731 425 F HA 0.388 4.915 4.527 -0.000 0.000 0.298 425 F C 1.559 177.387 175.800 0.047 0.000 1.106 425 F CA -0.743 57.247 58.000 -0.017 0.000 1.329 425 F CB -0.167 38.824 39.000 -0.015 0.000 1.100 425 F HN 0.021 nan 8.300 nan 0.000 0.592 426 F N 2.952 122.970 119.950 0.114 0.000 2.113 426 F HA 0.026 4.553 4.527 -0.000 0.000 0.297 426 F C -0.839 174.740 175.800 -0.368 0.000 1.103 426 F CA 0.643 58.637 58.000 -0.011 0.000 1.248 426 F CB -1.620 37.343 39.000 -0.062 0.000 0.999 426 F HN -0.159 nan 8.300 nan 0.000 0.475 427 P HA -0.184 nan 4.420 nan 0.000 0.223 427 P C 1.097 177.976 177.300 -0.701 0.000 1.144 427 P CA 1.583 64.234 63.100 -0.748 0.000 0.783 427 P CB -0.225 31.373 31.700 -0.170 0.000 0.771 428 Q N -1.978 117.519 119.800 -0.506 0.000 2.364 428 Q HA -0.167 4.173 4.340 -0.000 0.000 0.207 428 Q C 1.638 177.386 176.000 -0.419 0.000 0.970 428 Q CA 0.969 56.551 55.803 -0.369 0.000 0.888 428 Q CB -0.541 28.093 28.738 -0.172 0.000 0.951 428 Q HN 0.528 nan 8.270 nan 0.000 0.469 429 H N -0.812 117.856 119.070 -0.671 0.000 2.357 429 H HA -0.119 4.437 4.556 -0.000 0.000 0.301 429 H C 1.399 176.567 175.328 -0.267 0.000 1.082 429 H CA 1.522 57.251 56.048 -0.532 0.000 1.342 429 H CB 0.059 29.264 29.762 -0.929 0.000 1.389 429 H HN 0.179 nan 8.280 nan 0.000 0.511 430 F N 0.543 120.303 119.950 -0.317 0.000 2.051 430 F HA -0.151 4.376 4.527 -0.000 0.000 0.296 430 F C 2.311 178.016 175.800 -0.159 0.000 1.122 430 F CA 0.909 58.706 58.000 -0.338 0.000 1.201 430 F CB -1.216 37.282 39.000 -0.836 0.000 0.978 430 F HN 0.057 nan 8.300 nan 0.000 0.472 431 L N -0.118 121.105 121.223 0.000 0.000 2.089 431 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 431 L C 2.669 179.492 176.870 -0.079 0.000 1.079 431 L CA 1.534 56.335 54.840 -0.066 0.000 0.758 431 L CB -1.382 40.532 42.059 -0.242 0.000 0.891 431 L HN 0.330 nan 8.230 nan 0.000 0.433 432 G N -0.411 108.401 108.800 0.021 0.000 2.403 432 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.216 432 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.216 432 G C 1.609 176.520 174.900 0.017 0.000 1.154 432 G CA 0.256 45.398 45.100 0.070 0.000 0.784 432 G HN 0.222 nan 8.290 nan 0.000 0.538 433 L N 1.609 122.845 121.223 0.023 0.000 2.056 433 L HA -0.060 4.280 4.340 -0.000 0.000 0.207 433 L C 3.056 179.934 176.870 0.013 0.000 1.078 433 L CA 1.471 56.284 54.840 -0.044 0.000 0.749 433 L CB -0.401 41.645 42.059 -0.022 0.000 0.901 433 L HN 0.374 nan 8.230 nan 0.000 0.433 434 S N -0.477 115.270 115.700 0.078 0.000 2.603 434 S HA 0.104 4.574 4.470 -0.000 0.000 0.229 434 S C 1.461 176.157 174.600 0.161 0.000 0.972 434 S CA 0.392 58.683 58.200 0.152 0.000 0.935 434 S CB 0.037 63.400 63.200 0.272 0.000 0.769 434 S HN 0.586 nan 8.310 nan 0.000 0.536 435 G N 1.200 110.024 108.800 0.041 0.000 2.132 435 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.234 435 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.234 435 G C -0.124 174.709 174.900 -0.111 0.000 0.989 435 G CA 0.108 45.216 45.100 0.014 0.000 0.676 435 G HN 0.678 nan 8.290 nan 0.000 0.522 436 M N 1.563 120.910 119.600 -0.423 0.000 2.194 436 M HA 0.454 4.934 4.480 -0.000 0.000 0.347 436 M C -2.074 174.086 176.300 -0.232 0.000 1.439 436 M CA -1.567 53.367 55.300 -0.610 0.000 1.131 436 M CB 0.675 32.636 32.600 -1.065 0.000 1.733 436 M HN -0.026 nan 8.290 nan 0.000 0.467 437 P HA 0.120 nan 4.420 nan 0.000 0.271 437 P C -1.097 176.058 177.300 -0.241 0.000 1.233 437 P CA 0.032 62.901 63.100 -0.384 0.000 0.789 437 P CB 0.502 31.715 31.700 -0.813 0.000 0.951 438 R N 0.883 121.251 120.500 -0.220 0.000 2.541 438 R HA 0.456 4.796 4.340 -0.000 0.000 0.263 438 R C 0.312 176.645 176.300 0.054 0.000 1.112 438 R CA -0.751 55.211 56.100 -0.230 0.000 1.170 438 R CB 0.076 30.242 30.300 -0.224 0.000 1.167 438 R HN 0.332 nan 8.270 nan 0.000 0.582 439 R N -0.867 119.744 120.500 0.186 0.000 3.516 439 R HA -0.238 4.102 4.340 -0.000 0.000 0.271 439 R C -1.124 175.481 176.300 0.507 0.000 1.098 439 R CA 0.801 57.122 56.100 0.368 0.000 0.732 439 R CB -2.059 28.394 30.300 0.255 0.000 1.152 439 R HN 0.548 nan 8.270 nan 0.000 0.455 440 Y N -0.915 119.481 120.300 0.160 0.000 2.393 440 Y HA 0.165 4.715 4.550 -0.000 0.000 0.341 440 Y C 1.567 177.286 175.900 -0.301 0.000 0.988 440 Y CA -0.370 57.729 58.100 -0.001 0.000 1.078 440 Y CB 1.811 40.331 38.460 0.101 0.000 1.203 440 Y HN 0.158 nan 8.280 nan 0.000 0.453 441 S N 0.010 115.432 115.700 -0.463 0.000 2.528 441 S HA 0.058 4.528 4.470 -0.000 0.000 0.219 441 S C -0.089 174.306 174.600 -0.342 0.000 0.985 441 S CA 0.338 58.054 58.200 -0.807 0.000 0.914 441 S CB 0.262 63.067 63.200 -0.658 0.000 0.776 441 S HN 0.671 nan 8.310 nan 0.000 0.526 442 D N -0.391 119.886 120.400 -0.205 0.000 2.599 442 D HA 0.506 5.146 4.640 -0.000 0.000 0.252 442 D C -1.772 174.472 176.300 -0.093 0.000 1.232 442 D CA -0.615 53.185 54.000 -0.333 0.000 0.819 442 D CB 2.008 42.615 40.800 -0.322 0.000 1.401 442 D HN 0.243 nan 8.370 nan 0.000 0.429 443 Y N -1.824 118.577 120.300 0.168 0.000 2.588 443 Y HA 0.716 5.266 4.550 -0.000 0.000 0.343 443 Y C -2.679 173.354 175.900 0.223 0.000 1.065 443 Y CA -2.548 55.731 58.100 0.299 0.000 1.038 443 Y CB -0.201 38.462 38.460 0.338 0.000 1.297 443 Y HN 0.017 nan 8.280 nan 0.000 0.467 444 P HA 0.053 nan 4.420 nan 0.000 0.267 444 P C 0.098 177.446 177.300 0.081 0.000 1.200 444 P CA 0.297 63.467 63.100 0.117 0.000 0.772 444 P CB 0.826 32.521 31.700 -0.008 0.000 0.855 445 D N 1.879 122.284 120.400 0.008 0.000 2.203 445 D HA -0.220 4.420 4.640 -0.000 0.000 0.199 445 D C 1.828 178.095 176.300 -0.055 0.000 0.997 445 D CA 1.924 55.931 54.000 0.012 0.000 0.863 445 D CB -0.561 40.221 40.800 -0.029 0.000 0.928 445 D HN 0.395 nan 8.370 nan 0.000 0.458 446 A N 0.062 122.748 122.820 -0.223 0.000 1.972 446 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 446 A C 1.332 178.810 177.584 -0.177 0.000 1.169 446 A CA 0.897 52.778 52.037 -0.260 0.000 0.635 446 A CB -0.846 17.936 19.000 -0.364 0.000 0.810 446 A HN 0.267 nan 8.150 nan 0.000 0.446 447 Y N 0.725 121.021 120.300 -0.007 0.000 2.553 447 Y HA 0.042 4.592 4.550 -0.000 0.000 0.303 447 Y C 2.343 178.055 175.900 -0.313 0.000 1.194 447 Y CA 0.374 58.392 58.100 -0.137 0.000 1.305 447 Y CB -1.541 36.814 38.460 -0.175 0.000 1.045 447 Y HN 0.214 nan 8.280 nan 0.000 0.514 448 T N 0.053 114.586 114.554 -0.033 0.000 2.708 448 T HA -0.282 4.068 4.350 -0.000 0.000 0.266 448 T C 2.109 176.714 174.700 -0.159 0.000 1.037 448 T CA 1.694 63.774 62.100 -0.035 0.000 1.146 448 T CB -0.257 68.641 68.868 0.050 0.000 0.865 448 T HN 0.449 nan 8.240 nan 0.000 0.435 449 M N -0.378 119.051 119.600 -0.284 0.000 2.073 449 M HA -0.148 4.332 4.480 -0.000 0.000 0.258 449 M C 1.944 178.077 176.300 -0.278 0.000 1.070 449 M CA 1.964 57.020 55.300 -0.405 0.000 1.103 449 M CB -0.283 31.871 32.600 -0.744 0.000 1.321 449 M HN 0.417 nan 8.290 nan 0.000 0.405 450 W N 0.358 121.616 121.300 -0.070 0.000 2.388 450 W HA -0.125 4.535 4.660 -0.000 0.000 0.294 450 W C 2.211 178.618 176.519 -0.186 0.000 1.212 450 W CA 0.265 57.564 57.345 -0.077 0.000 1.271 450 W CB -0.603 28.838 29.460 -0.032 0.000 1.126 450 W HN 0.314 nan 8.180 nan 0.000 0.535 451 N N -0.161 118.477 118.700 -0.103 0.000 2.309 451 N HA -0.105 4.635 4.740 -0.000 0.000 0.182 451 N C 1.478 176.918 175.510 -0.116 0.000 1.018 451 N CA 1.786 54.688 53.050 -0.247 0.000 0.876 451 N CB -0.430 37.704 38.487 -0.589 0.000 0.972 451 N HN 0.125 nan 8.380 nan 0.000 0.434 452 T N 1.952 116.462 114.554 -0.072 0.000 2.737 452 T HA 0.037 4.387 4.350 -0.000 0.000 0.265 452 T C 2.155 176.830 174.700 -0.043 0.000 1.038 452 T CA 0.574 62.646 62.100 -0.047 0.000 1.144 452 T CB -0.019 68.820 68.868 -0.048 0.000 0.866 452 T HN 0.151 nan 8.240 nan 0.000 0.434 453 I N 1.061 121.634 120.570 0.005 0.000 2.142 453 I HA -0.194 3.976 4.170 -0.000 0.000 0.240 453 I C 2.834 178.938 176.117 -0.021 0.000 1.078 453 I CA 1.184 62.506 61.300 0.036 0.000 1.343 453 I CB -0.617 37.484 38.000 0.169 0.000 1.046 453 I HN 0.259 nan 8.210 nan 0.000 0.405 454 S N 0.511 116.182 115.700 -0.048 0.000 2.374 454 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 454 S C 2.165 176.655 174.600 -0.183 0.000 1.037 454 S CA 2.288 60.390 58.200 -0.164 0.000 1.024 454 S CB -0.241 62.826 63.200 -0.222 0.000 0.861 454 S HN 0.432 nan 8.310 nan 0.000 0.456 455 S N 0.849 116.472 115.700 -0.129 0.000 2.406 455 S HA 0.106 4.576 4.470 -0.000 0.000 0.228 455 S C 1.832 176.358 174.600 -0.124 0.000 1.020 455 S CA 1.213 59.347 58.200 -0.110 0.000 0.965 455 S CB -0.297 62.852 63.200 -0.085 0.000 0.798 455 S HN 0.541 nan 8.310 nan 0.000 0.488 456 M N 0.897 120.421 119.600 -0.127 0.000 2.254 456 M HA 0.001 4.481 4.480 -0.000 0.000 0.265 456 M C 2.455 178.740 176.300 -0.026 0.000 1.066 456 M CA 1.220 56.444 55.300 -0.127 0.000 1.123 456 M CB -0.689 31.856 32.600 -0.092 0.000 1.388 456 M HN 0.452 nan 8.290 nan 0.000 0.425 457 G N 0.249 109.020 108.800 -0.048 0.000 2.408 457 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.217 457 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.217 457 G C 1.618 176.508 174.900 -0.016 0.000 1.150 457 G CA 1.189 46.262 45.100 -0.044 0.000 0.776 457 G HN 0.548 nan 8.290 nan 0.000 0.542 458 S N 0.104 115.780 115.700 -0.038 0.000 2.387 458 S HA -0.131 4.339 4.470 -0.000 0.000 0.230 458 S C 2.148 176.867 174.600 0.197 0.000 1.035 458 S CA 1.310 59.530 58.200 0.034 0.000 1.014 458 S CB -0.664 62.556 63.200 0.034 0.000 0.836 458 S HN 0.359 nan 8.310 nan 0.000 0.466 459 F N 1.342 121.276 119.950 -0.027 0.000 2.146 459 F HA 0.101 4.628 4.527 -0.000 0.000 0.298 459 F C 2.300 178.108 175.800 0.013 0.000 1.096 459 F CA 0.961 58.960 58.000 -0.001 0.000 1.275 459 F CB -0.189 38.810 39.000 -0.001 0.000 1.008 459 F HN 0.195 nan 8.300 nan 0.000 0.480 460 I N -0.779 119.911 120.570 0.200 0.000 2.163 460 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 460 I C 2.374 178.547 176.117 0.094 0.000 1.085 460 I CA 1.305 62.677 61.300 0.121 0.000 1.347 460 I CB -0.701 37.351 38.000 0.087 0.000 1.044 460 I HN -0.005 nan 8.210 nan 0.000 0.408 461 S N 0.968 116.724 115.700 0.094 0.000 2.383 461 S HA -0.200 4.270 4.470 -0.000 0.000 0.229 461 S C 1.911 176.566 174.600 0.090 0.000 1.030 461 S CA 1.523 59.786 58.200 0.105 0.000 1.002 461 S CB -0.495 62.780 63.200 0.125 0.000 0.829 461 S HN 0.367 nan 8.310 nan 0.000 0.467 462 L N 2.085 123.333 121.223 0.042 0.000 1.989 462 L HA -0.113 4.227 4.340 -0.000 0.000 0.211 462 L C 2.153 179.019 176.870 -0.006 0.000 1.071 462 L CA 2.088 56.914 54.840 -0.024 0.000 0.749 462 L CB -1.637 40.317 42.059 -0.175 0.000 0.890 462 L HN 0.180 nan 8.230 nan 0.000 0.431 463 T N 0.229 114.783 114.554 0.000 0.000 2.778 463 T HA -0.202 4.148 4.350 -0.000 0.000 0.269 463 T C 1.879 176.632 174.700 0.089 0.000 1.050 463 T CA 1.404 63.520 62.100 0.026 0.000 1.137 463 T CB -0.619 68.277 68.868 0.046 0.000 0.860 463 T HN 0.590 nan 8.240 nan 0.000 0.468 464 A N 0.756 123.655 122.820 0.132 0.000 1.929 464 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 464 A C 2.559 180.315 177.584 0.287 0.000 1.176 464 A CA 1.041 53.223 52.037 0.242 0.000 0.628 464 A CB -0.688 18.435 19.000 0.206 0.000 0.816 464 A HN 0.381 nan 8.150 nan 0.000 0.444 465 V N 0.008 120.026 119.914 0.174 0.000 2.379 465 V HA -0.273 3.847 4.120 -0.000 0.000 0.245 465 V C 2.601 178.733 176.094 0.064 0.000 1.044 465 V CA 2.010 64.384 62.300 0.124 0.000 1.036 465 V CB -0.787 31.076 31.823 0.068 0.000 0.664 465 V HN 0.536 nan 8.190 nan 0.000 0.453 466 M N -0.704 118.921 119.600 0.041 0.000 2.117 466 M HA -0.172 4.308 4.480 -0.000 0.000 0.262 466 M C 2.263 178.587 176.300 0.039 0.000 1.065 466 M CA 1.758 57.066 55.300 0.014 0.000 1.114 466 M CB -0.496 32.091 32.600 -0.021 0.000 1.361 466 M HN 0.354 nan 8.290 nan 0.000 0.408 467 L N 0.670 121.931 121.223 0.063 0.000 2.056 467 L HA -0.173 4.167 4.340 -0.000 0.000 0.207 467 L C 2.446 179.364 176.870 0.080 0.000 1.078 467 L CA 1.710 56.597 54.840 0.078 0.000 0.749 467 L CB -0.658 41.483 42.059 0.136 0.000 0.901 467 L HN 0.297 nan 8.230 nan 0.000 0.433 468 M N -1.701 117.891 119.600 -0.014 0.000 2.108 468 M HA -0.206 4.274 4.480 -0.000 0.000 0.261 468 M C 2.030 178.276 176.300 -0.089 0.000 1.066 468 M CA 2.078 57.242 55.300 -0.228 0.000 1.107 468 M CB -0.188 32.218 32.600 -0.324 0.000 1.356 468 M HN 0.174 nan 8.290 nan 0.000 0.406 469 V N 0.897 120.807 119.914 -0.006 0.000 2.220 469 V HA -0.324 3.796 4.120 -0.000 0.000 0.246 469 V C 2.247 178.383 176.094 0.070 0.000 1.049 469 V CA 2.526 64.849 62.300 0.037 0.000 1.003 469 V CB -1.144 30.707 31.823 0.046 0.000 0.634 469 V HN 0.678 nan 8.190 nan 0.000 0.444 470 F N 0.398 120.321 119.950 -0.046 0.000 2.154 470 F HA -0.238 4.289 4.527 -0.000 0.000 0.301 470 F C 2.083 177.884 175.800 0.001 0.000 1.087 470 F CA 1.834 59.819 58.000 -0.025 0.000 1.274 470 F CB -0.319 38.586 39.000 -0.158 0.000 1.009 470 F HN 0.093 nan 8.300 nan 0.000 0.485 471 I N 0.292 120.683 120.570 -0.299 0.000 2.286 471 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 471 I C 2.293 178.197 176.117 -0.354 0.000 1.115 471 I CA 1.405 62.456 61.300 -0.415 0.000 1.392 471 I CB -0.414 37.496 38.000 -0.151 0.000 1.065 471 I HN 0.195 nan 8.210 nan 0.000 0.418 472 I N -0.648 119.805 120.570 -0.196 0.000 2.315 472 I HA -0.283 3.887 4.170 -0.000 0.000 0.248 472 I C 2.406 178.519 176.117 -0.008 0.000 1.117 472 I CA 1.231 62.441 61.300 -0.149 0.000 1.404 472 I CB -0.452 37.585 38.000 0.061 0.000 1.071 472 I HN 0.416 nan 8.210 nan 0.000 0.419 473 W N 2.395 123.601 121.300 -0.157 0.000 2.335 473 W HA -0.234 4.426 4.660 -0.000 0.000 0.311 473 W C 2.466 178.876 176.519 -0.182 0.000 1.213 473 W CA 1.710 59.000 57.345 -0.091 0.000 1.274 473 W CB -0.218 29.141 29.460 -0.169 0.000 1.148 473 W HN 0.043 nan 8.180 nan 0.000 0.498 474 E N 0.657 120.550 120.200 -0.511 0.000 2.110 474 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 474 E C 2.137 178.447 176.600 -0.485 0.000 0.988 474 E CA 1.655 57.632 56.400 -0.705 0.000 0.804 474 E CB -0.565 28.757 29.700 -0.631 0.000 0.745 474 E HN 0.323 nan 8.360 nan 0.000 0.458 475 A N 0.371 122.969 122.820 -0.369 0.000 1.865 475 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 475 A C 2.194 179.600 177.584 -0.297 0.000 1.191 475 A CA 1.489 53.362 52.037 -0.273 0.000 0.623 475 A CB -1.174 17.642 19.000 -0.306 0.000 0.826 475 A HN 0.338 nan 8.150 nan 0.000 0.444 476 F N -0.141 119.712 119.950 -0.161 0.000 2.234 476 F HA -0.080 4.447 4.527 -0.000 0.000 0.299 476 F C 2.758 178.286 175.800 -0.452 0.000 1.087 476 F CA 0.533 58.386 58.000 -0.244 0.000 1.340 476 F CB -0.036 38.956 39.000 -0.013 0.000 1.031 476 F HN 0.303 nan 8.300 nan 0.000 0.500 477 A N -0.768 121.787 122.820 -0.442 0.000 1.897 477 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 477 A C 2.291 179.614 177.584 -0.434 0.000 1.181 477 A CA 1.850 53.519 52.037 -0.614 0.000 0.620 477 A CB -0.847 17.327 19.000 -1.377 0.000 0.821 477 A HN 0.256 nan 8.150 nan 0.000 0.443 478 S N -0.888 114.564 115.700 -0.414 0.000 2.395 478 S HA 0.022 4.492 4.470 -0.000 0.000 0.225 478 S C 0.369 174.812 174.600 -0.262 0.000 1.027 478 S CA 0.846 58.882 58.200 -0.274 0.000 0.965 478 S CB -0.162 62.917 63.200 -0.202 0.000 0.812 478 S HN 0.565 nan 8.310 nan 0.000 0.482 479 K N 0.898 121.037 120.400 -0.435 0.000 3.353 479 K HA -0.132 4.188 4.320 -0.000 0.000 0.272 479 K C -1.045 175.478 176.600 -0.129 0.000 1.071 479 K CA 0.228 56.163 56.287 -0.586 0.000 0.789 479 K CB -1.214 31.070 32.500 -0.360 0.000 1.325 479 K HN 0.349 nan 8.250 nan 0.000 0.464 480 R N 1.841 122.332 120.500 -0.014 0.000 2.235 480 R HA 0.131 4.471 4.340 -0.000 0.000 0.338 480 R C -0.009 176.462 176.300 0.285 0.000 1.087 480 R CA -0.295 55.876 56.100 0.117 0.000 0.948 480 R CB 0.571 30.916 30.300 0.074 0.000 1.099 480 R HN 0.238 nan 8.270 nan 0.000 0.483 481 E N 1.945 122.303 120.200 0.263 0.000 2.354 481 E HA 0.086 4.436 4.350 -0.000 0.000 0.269 481 E C -0.051 176.617 176.600 0.112 0.000 1.036 481 E CA -0.471 56.053 56.400 0.207 0.000 0.876 481 E CB 1.416 31.207 29.700 0.153 0.000 1.009 481 E HN 0.184 nan 8.360 nan 0.000 0.416 482 V N 4.441 124.398 119.914 0.072 0.000 2.673 482 V HA -0.073 4.047 4.120 -0.000 0.000 0.303 482 V C 1.125 177.251 176.094 0.053 0.000 1.046 482 V CA 0.695 63.032 62.300 0.062 0.000 1.126 482 V CB 0.437 32.297 31.823 0.063 0.000 0.934 482 V HN 0.694 nan 8.190 nan 0.000 0.487 483 L N 2.441 123.692 121.223 0.047 0.000 2.675 483 L HA 0.282 4.622 4.340 -0.000 0.000 0.178 483 L C 0.773 177.664 176.870 0.035 0.000 1.135 483 L CA 0.571 55.434 54.840 0.039 0.000 0.855 483 L CB 0.443 42.522 42.059 0.033 0.000 1.235 483 L HN 0.604 nan 8.230 nan 0.000 0.499 484 T N 0.341 114.908 114.554 0.021 0.000 2.876 484 T HA 0.603 4.953 4.350 -0.000 0.000 0.289 484 T C -1.013 173.670 174.700 -0.028 0.000 1.014 484 T CA -0.240 61.864 62.100 0.007 0.000 0.986 484 T CB 2.859 71.728 68.868 0.001 0.000 1.021 484 T HN -0.230 nan 8.240 nan 0.000 0.458 485 V N 2.935 122.819 119.914 -0.049 0.000 2.709 485 V HA 0.399 4.519 4.120 -0.000 0.000 0.308 485 V C -0.407 175.614 176.094 -0.121 0.000 1.062 485 V CA -0.910 61.298 62.300 -0.152 0.000 0.901 485 V CB 2.237 33.869 31.823 -0.318 0.000 1.003 485 V HN 0.827 nan 8.190 nan 0.000 0.425 486 D N 2.329 122.649 120.400 -0.134 0.000 2.358 486 D HA 0.418 5.058 4.640 -0.000 0.000 0.244 486 D C 0.996 177.217 176.300 -0.131 0.000 1.163 486 D CA 0.161 54.081 54.000 -0.133 0.000 0.945 486 D CB 1.056 41.745 40.800 -0.186 0.000 1.152 486 D HN 0.555 nan 8.370 nan 0.000 0.451 487 L N 0.524 121.663 121.223 -0.138 0.000 4.367 487 L HA -0.340 4.000 4.340 -0.000 0.000 0.424 487 L C 1.774 178.665 176.870 0.035 0.000 1.152 487 L CA 0.846 55.624 54.840 -0.103 0.000 0.974 487 L CB -2.237 39.654 42.059 -0.280 0.000 2.012 487 L HN 0.580 nan 8.230 nan 0.000 0.922 488 T N -4.959 109.630 114.554 0.058 0.000 2.946 488 T HA -0.203 4.147 4.350 -0.000 0.000 0.271 488 T C 1.669 176.456 174.700 0.145 0.000 1.104 488 T CA 1.571 63.758 62.100 0.145 0.000 1.114 488 T CB -0.506 68.450 68.868 0.147 0.000 0.867 488 T HN 0.633 nan 8.240 nan 0.000 0.513 489 T N -0.064 114.543 114.554 0.089 0.000 3.007 489 T HA -0.042 4.308 4.350 -0.000 0.000 0.270 489 T C 1.694 176.450 174.700 0.094 0.000 1.107 489 T CA 1.234 63.384 62.100 0.083 0.000 1.118 489 T CB -0.751 68.145 68.868 0.046 0.000 0.889 489 T HN 0.640 nan 8.240 nan 0.000 0.506 490 T N -1.431 113.187 114.554 0.107 0.000 3.091 490 T HA 0.313 4.663 4.350 -0.000 0.000 0.277 490 T C 0.342 175.154 174.700 0.185 0.000 0.996 490 T CA -0.710 61.458 62.100 0.113 0.000 0.897 490 T CB 0.004 68.909 68.868 0.061 0.000 1.109 490 T HN 0.325 nan 8.240 nan 0.000 0.534 491 N N 1.573 120.431 118.700 0.263 0.000 2.733 491 N HA 0.208 4.948 4.740 -0.000 0.000 0.271 491 N C 0.434 176.204 175.510 0.433 0.000 1.720 491 N CA -0.272 53.024 53.050 0.411 0.000 0.803 491 N CB 1.776 40.588 38.487 0.543 0.000 1.208 491 N HN -0.011 nan 8.380 nan 0.000 0.498 492 L N 2.442 123.856 121.223 0.318 0.000 2.085 492 L HA -0.257 4.083 4.340 -0.000 0.000 0.218 492 L C 2.511 179.575 176.870 0.324 0.000 1.080 492 L CA 2.101 57.115 54.840 0.289 0.000 0.776 492 L CB -0.345 41.838 42.059 0.207 0.000 0.891 492 L HN 0.484 nan 8.230 nan 0.000 0.437 493 E N -1.763 118.607 120.200 0.283 0.000 2.267 493 E HA -0.294 4.056 4.350 -0.000 0.000 0.197 493 E C 1.874 178.518 176.600 0.073 0.000 0.998 493 E CA 1.863 58.362 56.400 0.166 0.000 0.830 493 E CB -1.000 28.716 29.700 0.027 0.000 0.751 493 E HN 0.734 nan 8.360 nan 0.000 0.491 494 W N 0.114 121.531 121.300 0.195 0.000 3.003 494 W HA 0.178 4.838 4.660 -0.000 0.000 0.257 494 W C 1.791 178.381 176.519 0.117 0.000 1.308 494 W CA -0.552 56.870 57.345 0.127 0.000 1.529 494 W CB 0.033 29.543 29.460 0.084 0.000 1.115 494 W HN 0.058 nan 8.180 nan 0.000 0.659 495 L N 0.967 122.392 121.223 0.337 0.000 2.191 495 L HA -0.134 4.205 4.340 -0.000 0.000 0.212 495 L C 1.259 178.220 176.870 0.151 0.000 1.103 495 L CA 1.645 56.629 54.840 0.239 0.000 0.769 495 L CB -0.760 41.447 42.059 0.247 0.000 0.908 495 L HN 0.023 nan 8.230 nan 0.000 0.438 496 N N 0.171 118.945 118.700 0.123 0.000 2.295 496 N HA 0.228 4.968 4.740 -0.000 0.000 0.221 496 N C 0.692 176.238 175.510 0.061 0.000 1.129 496 N CA 0.784 53.856 53.050 0.038 0.000 0.836 496 N CB 0.363 38.819 38.487 -0.052 0.000 1.040 496 N HN 0.333 nan 8.380 nan 0.000 0.494 497 G N 0.307 109.169 108.800 0.104 0.000 2.795 497 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.664 497 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.664 497 G C -0.774 174.181 174.900 0.093 0.000 1.381 497 G CA -0.747 44.411 45.100 0.097 0.000 0.853 497 G HN 0.310 nan 8.290 nan 0.000 0.545 498 C N 2.369 121.712 119.300 0.071 0.000 2.344 498 C HA 0.709 5.169 4.460 -0.000 0.000 0.326 498 C C -1.527 173.441 174.990 -0.037 0.000 1.201 498 C CA -0.945 58.088 59.018 0.026 0.000 1.410 498 C CB 1.235 29.012 27.740 0.062 0.000 2.070 498 C HN 0.833 nan 8.230 nan 0.000 0.445 499 P HA 0.399 nan 4.420 nan 0.000 0.279 499 P C -2.610 174.738 177.300 0.081 0.000 1.252 499 P CA -1.329 61.797 63.100 0.044 0.000 0.811 499 P CB 0.570 32.326 31.700 0.095 0.000 1.035 500 P HA 0.184 nan 4.420 nan 0.000 0.272 500 P C -2.239 175.094 177.300 0.054 0.000 1.223 500 P CA -1.354 61.801 63.100 0.091 0.000 0.784 500 P CB -0.955 30.826 31.700 0.134 0.000 0.923 501 P HA -0.060 nan 4.420 nan 0.000 0.270 501 P C 0.810 178.115 177.300 0.007 0.000 1.223 501 P CA -0.024 63.095 63.100 0.032 0.000 0.785 501 P CB 0.527 32.246 31.700 0.032 0.000 0.923 502 Y N 1.597 121.824 120.300 -0.122 0.000 2.002 502 Y HA -0.259 4.291 4.550 -0.000 0.000 0.268 502 Y C 1.438 177.169 175.900 -0.282 0.000 1.177 502 Y CA 1.908 59.855 58.100 -0.256 0.000 1.111 502 Y CB -0.373 37.931 38.460 -0.260 0.000 0.952 502 Y HN 0.370 nan 8.280 nan 0.000 0.491 503 H N 0.110 119.253 119.070 0.122 0.000 2.489 503 H HA 0.324 4.880 4.556 -0.000 0.000 0.322 503 H C -0.042 175.285 175.328 -0.003 0.000 1.091 503 H CA 0.362 56.441 56.048 0.051 0.000 1.291 503 H CB 1.103 30.919 29.762 0.090 0.000 1.436 503 H HN 0.186 nan 8.280 nan 0.000 0.480 504 T N -1.123 113.506 114.554 0.125 0.000 2.916 504 T HA 0.366 4.716 4.350 -0.000 0.000 0.292 504 T C -0.037 174.667 174.700 0.005 0.000 1.055 504 T CA -0.815 61.247 62.100 -0.063 0.000 1.009 504 T CB 1.395 70.184 68.868 -0.131 0.000 1.118 504 T HN 0.466 nan 8.240 nan 0.000 0.497 505 F N -0.665 119.332 119.950 0.077 0.000 3.057 505 F HA -0.203 4.324 4.527 -0.000 0.000 0.287 505 F C 1.382 177.208 175.800 0.042 0.000 0.834 505 F CA 0.498 58.531 58.000 0.055 0.000 1.147 505 F CB -2.490 36.535 39.000 0.042 0.000 1.245 505 F HN 0.827 nan 8.300 nan 0.000 0.509 506 E N 0.406 120.645 120.200 0.065 0.000 2.085 506 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 506 E C 1.134 177.763 176.600 0.049 0.000 0.994 506 E CA 1.481 57.903 56.400 0.037 0.000 0.801 506 E CB 0.044 29.736 29.700 -0.014 0.000 0.743 506 E HN 0.603 nan 8.360 nan 0.000 0.453 507 E N 1.553 121.786 120.200 0.056 0.000 2.092 507 E HA 0.152 4.502 4.350 -0.000 0.000 0.271 507 E C -2.351 174.332 176.600 0.139 0.000 0.919 507 E CA -2.590 53.854 56.400 0.072 0.000 0.760 507 E CB 0.979 30.708 29.700 0.049 0.000 1.106 507 E HN -0.106 nan 8.360 nan 0.000 0.408 508 P HA -0.062 nan 4.420 nan 0.000 0.271 508 P C -0.020 177.402 177.300 0.203 0.000 1.238 508 P CA -0.167 63.043 63.100 0.184 0.000 0.794 508 P CB 0.376 32.133 31.700 0.095 0.000 0.959 509 T N -1.709 112.970 114.554 0.209 0.000 2.828 509 T HA 0.195 4.545 4.350 -0.000 0.000 0.290 509 T C -0.497 174.299 174.700 0.160 0.000 1.019 509 T CA -0.332 61.890 62.100 0.204 0.000 1.031 509 T CB 0.208 69.178 68.868 0.171 0.000 1.001 509 T HN 0.373 nan 8.240 nan 0.000 0.531 510 Y N 0.932 121.272 120.300 0.068 0.000 2.335 510 Y HA 0.559 5.109 4.550 -0.000 0.000 0.339 510 Y C -1.199 174.723 175.900 0.038 0.000 0.987 510 Y CA -0.880 57.247 58.100 0.045 0.000 1.140 510 Y CB 0.906 39.391 38.460 0.042 0.000 1.173 510 Y HN 0.570 nan 8.280 nan 0.000 0.486 511 V N 6.626 126.258 119.914 -0.469 0.000 2.532 511 V HA 0.227 4.347 4.120 -0.000 0.000 0.294 511 V C -0.687 175.170 176.094 -0.395 0.000 1.036 511 V CA -1.231 60.895 62.300 -0.290 0.000 0.876 511 V CB 1.556 33.302 31.823 -0.129 0.000 1.012 511 V HN 0.851 nan 8.190 nan 0.000 0.432 512 N N 3.243 121.772 118.700 -0.284 0.000 2.508 512 N HA 0.227 4.967 4.740 -0.000 0.000 0.264 512 N C 0.664 176.117 175.510 -0.096 0.000 1.216 512 N CA -0.510 52.434 53.050 -0.177 0.000 0.943 512 N CB 1.084 39.564 38.487 -0.011 0.000 1.113 512 N HN 0.535 nan 8.380 nan 0.000 0.447 513 L N 1.769 122.948 121.223 -0.074 0.000 2.416 513 L HA 0.151 4.491 4.340 -0.000 0.000 0.216 513 L C 0.380 177.241 176.870 -0.015 0.000 1.098 513 L CA 1.117 55.931 54.840 -0.042 0.000 0.840 513 L CB -0.497 41.538 42.059 -0.039 0.000 0.981 513 L HN 0.697 nan 8.230 nan 0.000 0.462 514 K N 0.000 120.397 120.400 -0.004 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.292 56.287 0.009 0.000 0.838 514 K CB 0.000 32.507 32.500 0.011 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543