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 3abl_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 0.000 175.792 175.800 -0.013 0.000 0.967 2 F CA 0.000 58.036 58.000 0.060 0.000 1.383 2 F CB 0.000 39.057 39.000 0.095 0.000 1.145 3 I N 1.307 121.915 120.570 0.064 0.000 2.286 3 I HA -0.206 3.964 4.170 -0.000 0.000 0.245 3 I C 1.666 177.408 176.117 -0.625 0.000 1.104 3 I CA 1.299 62.453 61.300 -0.243 0.000 1.397 3 I CB -0.432 37.386 38.000 -0.303 0.000 1.072 3 I HN 0.230 nan 8.210 nan 0.000 0.417 4 N N 0.872 119.285 118.700 -0.478 0.000 2.104 4 N HA -0.225 4.515 4.740 -0.000 0.000 0.190 4 N C 1.884 177.221 175.510 -0.288 0.000 1.024 4 N CA 1.309 54.146 53.050 -0.354 0.000 0.853 4 N CB -0.398 38.016 38.487 -0.123 0.000 1.008 4 N HN 0.292 nan 8.380 nan 0.000 0.424 5 R N -0.984 119.273 120.500 -0.406 0.000 2.073 5 R HA -0.050 4.290 4.340 -0.000 0.000 0.229 5 R C 1.392 177.242 176.300 -0.750 0.000 1.120 5 R CA 1.214 56.924 56.100 -0.650 0.000 0.967 5 R CB -0.096 29.634 30.300 -0.950 0.000 0.862 5 R HN 0.296 nan 8.270 nan 0.000 0.436 6 W N -1.146 119.944 121.300 -0.351 0.000 2.907 6 W HA 0.163 4.823 4.660 -0.000 0.000 0.271 6 W C 1.137 177.665 176.519 0.014 0.000 1.253 6 W CA -0.509 56.654 57.345 -0.303 0.000 1.501 6 W CB 0.439 29.498 29.460 -0.669 0.000 1.047 6 W HN 0.057 nan 8.180 nan 0.000 0.610 7 L N -1.616 119.650 121.223 0.072 0.000 2.642 7 L HA 0.217 4.557 4.340 -0.000 0.000 0.233 7 L C 0.493 177.549 176.870 0.311 0.000 1.077 7 L CA 0.799 55.691 54.840 0.086 0.000 0.879 7 L CB -0.196 41.709 42.059 -0.257 0.000 1.151 7 L HN -0.168 nan 8.230 nan 0.000 0.495 8 F N -1.349 118.608 119.950 0.012 0.000 2.791 8 F HA 0.403 4.930 4.527 -0.000 0.000 0.308 8 F C 1.189 176.988 175.800 -0.003 0.000 1.138 8 F CA -1.201 56.795 58.000 -0.007 0.000 1.294 8 F CB -0.854 38.120 39.000 -0.042 0.000 0.975 8 F HN -0.223 nan 8.300 nan 0.000 0.512 9 S N 0.991 116.801 115.700 0.183 0.000 2.563 9 S HA 0.198 4.668 4.470 -0.000 0.000 0.284 9 S C 1.073 175.702 174.600 0.047 0.000 1.331 9 S CA 0.699 58.914 58.200 0.025 0.000 1.047 9 S CB 0.362 63.519 63.200 -0.072 0.000 0.859 9 S HN 0.481 nan 8.310 nan 0.000 0.514 10 T N 1.234 115.785 114.554 -0.004 0.000 3.442 10 T HA 0.313 4.663 4.350 -0.000 0.000 0.295 10 T C -0.341 174.300 174.700 -0.098 0.000 1.007 10 T CA -0.750 61.342 62.100 -0.014 0.000 0.962 10 T CB -0.493 68.389 68.868 0.024 0.000 1.187 10 T HN 0.529 nan 8.240 nan 0.000 0.490 11 N N 1.392 119.962 118.700 -0.216 0.000 2.372 11 N HA 0.153 4.893 4.740 -0.000 0.000 0.285 11 N C 1.018 176.267 175.510 -0.434 0.000 1.008 11 N CA -0.314 52.467 53.050 -0.448 0.000 0.880 11 N CB 1.588 39.567 38.487 -0.847 0.000 1.239 11 N HN 0.555 nan 8.380 nan 0.000 0.484 12 H N 3.219 122.040 119.070 -0.415 0.000 2.422 12 H HA -0.042 4.514 4.556 -0.000 0.000 0.298 12 H C 0.899 175.866 175.328 -0.603 0.000 1.098 12 H CA 1.565 57.375 56.048 -0.396 0.000 1.315 12 H CB 0.347 29.921 29.762 -0.314 0.000 1.382 12 H HN 0.499 nan 8.280 nan 0.000 0.523 13 K N 0.012 119.554 120.400 -1.431 0.000 2.067 13 K HA -0.052 4.268 4.320 -0.000 0.000 0.203 13 K C 1.704 177.577 176.600 -1.212 0.000 1.048 13 K CA 0.977 56.136 56.287 -1.880 0.000 0.954 13 K CB 0.160 31.466 32.500 -1.991 0.000 0.737 13 K HN 0.215 nan 8.250 nan 0.000 0.444 14 D N 1.394 121.355 120.400 -0.732 0.000 2.104 14 D HA -0.159 4.481 4.640 -0.000 0.000 0.194 14 D C 1.838 178.021 176.300 -0.195 0.000 0.994 14 D CA 1.124 54.936 54.000 -0.313 0.000 0.830 14 D CB -0.225 40.266 40.800 -0.515 0.000 0.959 14 D HN 0.112 nan 8.370 nan 0.000 0.452 15 I N 0.748 121.140 120.570 -0.298 0.000 2.163 15 I HA -0.218 3.952 4.170 -0.000 0.000 0.243 15 I C 2.548 178.624 176.117 -0.069 0.000 1.085 15 I CA 1.464 62.634 61.300 -0.217 0.000 1.347 15 I CB -0.632 37.304 38.000 -0.106 0.000 1.044 15 I HN 0.053 nan 8.210 nan 0.000 0.408 16 G N -0.042 108.670 108.800 -0.146 0.000 2.469 16 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.220 16 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.220 16 G C 1.644 176.609 174.900 0.108 0.000 1.136 16 G CA 1.636 46.717 45.100 -0.033 0.000 0.759 16 G HN 0.309 nan 8.290 nan 0.000 0.562 17 T N 0.816 115.401 114.554 0.052 0.000 2.857 17 T HA 0.089 4.439 4.350 -0.000 0.000 0.266 17 T C 2.422 177.144 174.700 0.036 0.000 1.048 17 T CA 0.506 62.726 62.100 0.200 0.000 1.139 17 T CB -0.108 68.932 68.868 0.287 0.000 0.874 17 T HN 0.147 nan 8.240 nan 0.000 0.455 18 L N -0.325 120.796 121.223 -0.170 0.000 1.994 18 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 18 L C 2.366 179.059 176.870 -0.295 0.000 1.071 18 L CA 1.658 56.173 54.840 -0.542 0.000 0.745 18 L CB -0.629 40.613 42.059 -1.361 0.000 0.892 18 L HN 0.263 nan 8.230 nan 0.000 0.431 19 Y N 0.111 120.312 120.300 -0.164 0.000 2.151 19 Y HA -0.300 4.250 4.550 -0.000 0.000 0.284 19 Y C 2.438 178.489 175.900 0.252 0.000 1.166 19 Y CA 1.536 59.766 58.100 0.217 0.000 1.163 19 Y CB -0.496 38.057 38.460 0.155 0.000 0.974 19 Y HN 0.100 nan 8.280 nan 0.000 0.511 20 L N -1.188 120.222 121.223 0.313 0.000 2.056 20 L HA -0.222 4.118 4.340 -0.000 0.000 0.207 20 L C 2.282 179.304 176.870 0.253 0.000 1.078 20 L CA 0.955 55.937 54.840 0.236 0.000 0.749 20 L CB -0.630 41.524 42.059 0.158 0.000 0.901 20 L HN 0.237 nan 8.230 nan 0.000 0.433 21 L N -1.344 120.017 121.223 0.230 0.000 2.046 21 L HA -0.248 4.092 4.340 -0.000 0.000 0.208 21 L C 2.551 179.601 176.870 0.298 0.000 1.077 21 L CA 1.347 56.313 54.840 0.211 0.000 0.747 21 L CB -0.474 41.651 42.059 0.110 0.000 0.896 21 L HN 0.175 nan 8.230 nan 0.000 0.432 22 F N 0.764 120.852 119.950 0.231 0.000 2.075 22 F HA -0.132 4.395 4.527 -0.000 0.000 0.297 22 F C 2.307 178.330 175.800 0.371 0.000 1.113 22 F CA 1.659 59.844 58.000 0.308 0.000 1.218 22 F CB -0.777 38.426 39.000 0.338 0.000 0.984 22 F HN -0.007 nan 8.300 nan 0.000 0.472 23 G N -0.203 108.900 108.800 0.505 0.000 2.469 23 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.219 23 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.219 23 G C 1.804 176.816 174.900 0.187 0.000 1.150 23 G CA 1.091 46.396 45.100 0.342 0.000 0.763 23 G HN 0.651 nan 8.290 nan 0.000 0.561 24 A N -0.260 122.661 122.820 0.167 0.000 1.902 24 A HA -0.058 4.262 4.320 -0.000 0.000 0.217 24 A C 2.171 179.814 177.584 0.098 0.000 1.181 24 A CA 1.662 53.751 52.037 0.087 0.000 0.623 24 A CB -0.742 18.302 19.000 0.074 0.000 0.818 24 A HN 0.555 nan 8.150 nan 0.000 0.443 25 W N 0.490 121.782 121.300 -0.012 0.000 2.354 25 W HA -0.088 4.572 4.660 -0.000 0.000 0.315 25 W C 2.549 179.066 176.519 -0.003 0.000 1.206 25 W CA 2.193 59.517 57.345 -0.036 0.000 1.290 25 W CB -0.323 29.086 29.460 -0.084 0.000 1.152 25 W HN 0.349 nan 8.180 nan 0.000 0.489 26 A N 0.419 123.353 122.820 0.190 0.000 1.978 26 A HA -0.113 4.207 4.320 -0.000 0.000 0.220 26 A C 2.189 179.803 177.584 0.050 0.000 1.170 26 A CA 2.042 54.193 52.037 0.189 0.000 0.636 26 A CB -1.657 17.411 19.000 0.113 0.000 0.810 26 A HN 0.433 nan 8.150 nan 0.000 0.448 27 G N -1.240 107.573 108.800 0.021 0.000 2.443 27 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.219 27 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.219 27 G C 1.419 176.290 174.900 -0.048 0.000 1.131 27 G CA 1.130 46.233 45.100 0.005 0.000 0.775 27 G HN 0.357 nan 8.290 nan 0.000 0.547 28 M N 0.580 120.095 119.600 -0.142 0.000 2.132 28 M HA 0.034 4.514 4.480 -0.000 0.000 0.263 28 M C 2.742 178.915 176.300 -0.211 0.000 1.065 28 M CA 0.628 55.807 55.300 -0.203 0.000 1.122 28 M CB -1.190 31.212 32.600 -0.331 0.000 1.365 28 M HN 0.101 nan 8.290 nan 0.000 0.411 29 V N 0.386 120.138 119.914 -0.270 0.000 2.295 29 V HA -0.182 3.938 4.120 -0.000 0.000 0.246 29 V C 2.626 178.726 176.094 0.009 0.000 1.049 29 V CA 2.161 64.365 62.300 -0.160 0.000 1.024 29 V CB -1.759 30.027 31.823 -0.061 0.000 0.648 29 V HN 0.557 nan 8.190 nan 0.000 0.447 30 G N -0.920 107.915 108.800 0.058 0.000 2.448 30 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.218 30 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.218 30 G C 1.660 176.660 174.900 0.166 0.000 1.135 30 G CA 1.297 46.479 45.100 0.137 0.000 0.784 30 G HN 0.475 nan 8.290 nan 0.000 0.543 31 T N 1.577 116.171 114.554 0.067 0.000 2.777 31 T HA 0.056 4.406 4.350 -0.000 0.000 0.266 31 T C 2.843 177.538 174.700 -0.007 0.000 1.040 31 T CA 1.342 63.466 62.100 0.040 0.000 1.141 31 T CB -0.293 68.573 68.868 -0.004 0.000 0.868 31 T HN 0.342 nan 8.240 nan 0.000 0.444 32 A N 1.279 124.080 122.820 -0.032 0.000 1.877 32 A HA 0.007 4.327 4.320 -0.000 0.000 0.216 32 A C 2.294 179.868 177.584 -0.016 0.000 1.186 32 A CA 1.234 53.242 52.037 -0.049 0.000 0.620 32 A CB -0.894 18.068 19.000 -0.063 0.000 0.822 32 A HN 0.459 nan 8.150 nan 0.000 0.443 33 L N 0.205 121.450 121.223 0.035 0.000 2.046 33 L HA -0.189 4.151 4.340 -0.000 0.000 0.208 33 L C 3.020 179.859 176.870 -0.051 0.000 1.077 33 L CA 1.656 56.525 54.840 0.048 0.000 0.747 33 L CB -0.437 41.717 42.059 0.158 0.000 0.896 33 L HN 0.609 nan 8.230 nan 0.000 0.432 34 S N -0.161 115.491 115.700 -0.080 0.000 2.423 34 S HA -0.129 4.341 4.470 -0.000 0.000 0.231 34 S C 1.928 176.447 174.600 -0.135 0.000 1.014 34 S CA 0.873 58.907 58.200 -0.276 0.000 0.965 34 S CB -0.374 62.764 63.200 -0.103 0.000 0.785 34 S HN 0.379 nan 8.310 nan 0.000 0.495 35 L N 0.353 121.524 121.223 -0.088 0.000 2.240 35 L HA 0.172 4.512 4.340 -0.000 0.000 0.211 35 L C 2.447 179.315 176.870 -0.003 0.000 1.106 35 L CA 0.529 55.315 54.840 -0.089 0.000 0.793 35 L CB -0.338 41.602 42.059 -0.198 0.000 0.927 35 L HN 0.319 nan 8.230 nan 0.000 0.446 36 L N -0.568 120.656 121.223 0.001 0.000 2.056 36 L HA -0.227 4.113 4.340 -0.000 0.000 0.207 36 L C 2.399 179.332 176.870 0.104 0.000 1.078 36 L CA 1.330 56.202 54.840 0.053 0.000 0.749 36 L CB -0.328 41.754 42.059 0.038 0.000 0.901 36 L HN 0.204 nan 8.230 nan 0.000 0.433 37 I N -0.720 119.884 120.570 0.056 0.000 2.142 37 I HA -0.278 3.892 4.170 -0.000 0.000 0.240 37 I C 2.706 178.953 176.117 0.217 0.000 1.078 37 I CA 1.222 62.616 61.300 0.157 0.000 1.343 37 I CB -0.347 37.648 38.000 -0.007 0.000 1.046 37 I HN 0.230 nan 8.210 nan 0.000 0.405 38 R N 0.731 121.300 120.500 0.115 0.000 2.148 38 R HA -0.023 4.317 4.340 -0.000 0.000 0.223 38 R C 2.292 178.689 176.300 0.162 0.000 1.088 38 R CA 1.211 57.384 56.100 0.121 0.000 0.985 38 R CB -0.464 29.876 30.300 0.067 0.000 0.880 38 R HN 0.372 nan 8.270 nan 0.000 0.451 39 A N 1.315 124.246 122.820 0.186 0.000 1.902 39 A HA -0.214 4.106 4.320 -0.000 0.000 0.217 39 A C 2.103 179.767 177.584 0.132 0.000 1.181 39 A CA 1.639 53.784 52.037 0.181 0.000 0.623 39 A CB -0.327 18.786 19.000 0.188 0.000 0.818 39 A HN 0.224 nan 8.150 nan 0.000 0.443 40 E N 0.321 120.614 120.200 0.154 0.000 2.085 40 E HA -0.132 4.218 4.350 -0.000 0.000 0.194 40 E C 1.605 178.254 176.600 0.081 0.000 0.994 40 E CA 1.431 57.904 56.400 0.120 0.000 0.801 40 E CB -0.381 29.443 29.700 0.207 0.000 0.743 40 E HN 0.580 nan 8.360 nan 0.000 0.453 41 L N -0.804 120.506 121.223 0.144 0.000 2.591 41 L HA 0.225 4.565 4.340 -0.000 0.000 0.228 41 L C 1.971 178.979 176.870 0.230 0.000 1.133 41 L CA 0.435 55.405 54.840 0.217 0.000 0.880 41 L CB 0.035 42.218 42.059 0.207 0.000 1.033 41 L HN 0.215 nan 8.230 nan 0.000 0.450 42 G N 0.012 108.890 108.800 0.130 0.000 2.920 42 G HA2 0.002 3.962 3.960 -0.000 0.000 0.208 42 G HA3 0.002 3.962 3.960 -0.000 0.000 0.208 42 G C 0.429 175.375 174.900 0.076 0.000 1.159 42 G CA 0.040 45.188 45.100 0.080 0.000 0.784 42 G HN 0.499 nan 8.290 nan 0.000 0.535 43 Q N -0.843 119.015 119.800 0.095 0.000 2.482 43 Q HA 0.533 4.873 4.340 -0.000 0.000 0.286 43 Q C -3.280 172.730 176.000 0.018 0.000 1.007 43 Q CA -2.110 53.742 55.803 0.081 0.000 0.801 43 Q CB 1.644 30.389 28.738 0.013 0.000 1.455 43 Q HN -0.136 nan 8.270 nan 0.000 0.398 44 P HA 0.412 nan 4.420 nan 0.000 0.269 44 P C 0.139 177.308 177.300 -0.219 0.000 1.215 44 P CA 1.296 64.225 63.100 -0.286 0.000 0.780 44 P CB 0.640 32.255 31.700 -0.142 0.000 0.898 45 G N 0.708 109.340 108.800 -0.280 0.000 2.447 45 G HA2 0.010 3.970 3.960 -0.000 0.000 0.220 45 G HA3 0.010 3.970 3.960 -0.000 0.000 0.220 45 G C -1.255 173.545 174.900 -0.167 0.000 1.261 45 G CA -0.692 44.302 45.100 -0.177 0.000 1.000 45 G HN 0.587 nan 8.290 nan 0.000 0.515 46 T N 0.851 115.341 114.554 -0.106 0.000 2.812 46 T HA 0.540 4.890 4.350 -0.000 0.000 0.282 46 T C 0.972 175.647 174.700 -0.041 0.000 0.990 46 T CA 0.220 62.271 62.100 -0.081 0.000 0.960 46 T CB 1.772 70.600 68.868 -0.068 0.000 0.948 46 T HN 0.957 nan 8.240 nan 0.000 0.438 47 L N 3.889 125.100 121.223 -0.019 0.000 2.265 47 L HA 0.444 4.784 4.340 -0.000 0.000 0.195 47 L C 1.571 178.457 176.870 0.027 0.000 1.083 47 L CA 1.143 55.989 54.840 0.010 0.000 0.798 47 L CB -0.458 41.621 42.059 0.032 0.000 0.989 47 L HN 0.637 nan 8.230 nan 0.000 0.472 48 L N -1.293 119.960 121.223 0.049 0.000 2.117 48 L HA 0.407 4.747 4.340 -0.000 0.000 0.200 48 L C 1.306 178.205 176.870 0.049 0.000 1.110 48 L CA 0.609 55.486 54.840 0.062 0.000 0.774 48 L CB -0.812 41.307 42.059 0.101 0.000 0.934 48 L HN 0.422 nan 8.230 nan 0.000 0.456 49 G N -1.112 107.721 108.800 0.055 0.000 2.694 49 G HA2 0.263 4.223 3.960 -0.000 0.000 0.246 49 G HA3 0.263 4.223 3.960 -0.000 0.000 0.246 49 G C -1.876 173.046 174.900 0.036 0.000 1.205 49 G CA 0.051 45.174 45.100 0.038 0.000 0.891 49 G HN 0.242 nan 8.290 nan 0.000 0.515 50 D N -0.538 119.884 120.400 0.035 0.000 2.453 50 D HA 0.296 4.936 4.640 -0.000 0.000 0.282 50 D C 0.387 176.727 176.300 0.066 0.000 1.222 50 D CA -0.293 53.717 54.000 0.018 0.000 1.079 50 D CB 0.298 41.101 40.800 0.006 0.000 1.128 50 D HN 0.152 nan 8.370 nan 0.000 0.568 51 D N -1.423 119.011 120.400 0.056 0.000 2.264 51 D HA -0.122 4.518 4.640 -0.000 0.000 0.208 51 D C 1.689 178.097 176.300 0.182 0.000 0.966 51 D CA 0.777 54.860 54.000 0.139 0.000 0.864 51 D CB -0.029 40.824 40.800 0.089 0.000 0.933 51 D HN 0.372 nan 8.370 nan 0.000 0.499 52 Q N 1.138 121.012 119.800 0.124 0.000 1.975 52 Q HA -0.110 4.230 4.340 -0.000 0.000 0.205 52 Q C 2.138 178.219 176.000 0.134 0.000 0.990 52 Q CA 1.127 57.004 55.803 0.122 0.000 0.845 52 Q CB -0.561 28.221 28.738 0.073 0.000 0.913 52 Q HN 0.353 nan 8.270 nan 0.000 0.420 53 I N -0.314 120.330 120.570 0.123 0.000 2.361 53 I HA -0.256 3.913 4.170 -0.000 0.000 0.251 53 I C 1.967 178.170 176.117 0.143 0.000 1.133 53 I CA 1.280 62.651 61.300 0.118 0.000 1.413 53 I CB -0.165 37.896 38.000 0.102 0.000 1.073 53 I HN 0.464 nan 8.210 nan 0.000 0.424 54 Y N 1.782 122.124 120.300 0.069 0.000 2.181 54 Y HA -0.278 4.272 4.550 -0.000 0.000 0.288 54 Y C 2.183 178.141 175.900 0.096 0.000 1.146 54 Y CA 2.005 60.152 58.100 0.078 0.000 1.164 54 Y CB -0.209 38.296 38.460 0.075 0.000 0.982 54 Y HN 0.214 nan 8.280 nan 0.000 0.515 55 N N -0.412 118.313 118.700 0.040 0.000 2.424 55 N HA -0.055 4.685 4.740 -0.000 0.000 0.178 55 N C 1.758 177.267 175.510 -0.002 0.000 1.060 55 N CA 0.875 53.911 53.050 -0.023 0.000 0.901 55 N CB 0.185 38.745 38.487 0.122 0.000 0.979 55 N HN 0.278 nan 8.380 nan 0.000 0.451 56 V N 0.518 120.462 119.914 0.050 0.000 2.343 56 V HA -0.156 3.964 4.120 -0.000 0.000 0.247 56 V C 2.337 178.459 176.094 0.047 0.000 1.051 56 V CA 1.195 63.541 62.300 0.076 0.000 1.036 56 V CB -0.334 31.555 31.823 0.111 0.000 0.654 56 V HN 0.040 nan 8.190 nan 0.000 0.451 57 V N -0.454 119.450 119.914 -0.017 0.000 2.427 57 V HA -0.175 3.945 4.120 -0.000 0.000 0.248 57 V C 2.391 178.457 176.094 -0.047 0.000 1.051 57 V CA 1.637 63.924 62.300 -0.023 0.000 1.048 57 V CB -0.156 31.624 31.823 -0.071 0.000 0.666 57 V HN 0.407 nan 8.190 nan 0.000 0.456 58 V N -0.054 119.749 119.914 -0.185 0.000 2.343 58 V HA -0.260 3.860 4.120 -0.000 0.000 0.247 58 V C 2.552 178.646 176.094 -0.001 0.000 1.051 58 V CA 2.610 64.838 62.300 -0.120 0.000 1.036 58 V CB -1.018 30.675 31.823 -0.217 0.000 0.654 58 V HN 0.608 nan 8.190 nan 0.000 0.451 59 T N 0.374 114.914 114.554 -0.023 0.000 2.777 59 T HA -0.114 4.236 4.350 -0.000 0.000 0.266 59 T C 2.074 176.760 174.700 -0.023 0.000 1.040 59 T CA 1.569 63.622 62.100 -0.078 0.000 1.141 59 T CB -0.392 68.473 68.868 -0.005 0.000 0.868 59 T HN 0.562 nan 8.240 nan 0.000 0.444 60 A N 1.385 124.296 122.820 0.152 0.000 1.873 60 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 60 A C 1.975 179.680 177.584 0.202 0.000 1.186 60 A CA 2.215 54.413 52.037 0.270 0.000 0.616 60 A CB -1.092 18.068 19.000 0.266 0.000 0.823 60 A HN 0.641 nan 8.150 nan 0.000 0.442 61 H N 0.643 119.745 119.070 0.053 0.000 2.260 61 H HA -0.221 4.335 4.556 -0.000 0.000 0.288 61 H C 2.141 177.451 175.328 -0.030 0.000 1.094 61 H CA 2.849 58.911 56.048 0.023 0.000 1.197 61 H CB -0.684 29.080 29.762 0.003 0.000 1.346 61 H HN 0.384 nan 8.280 nan 0.000 0.486 62 A N -0.134 122.492 122.820 -0.324 0.000 1.865 62 A HA -0.150 4.170 4.320 -0.000 0.000 0.217 62 A C 2.430 179.795 177.584 -0.366 0.000 1.191 62 A CA 1.821 53.528 52.037 -0.550 0.000 0.623 62 A CB -1.290 17.308 19.000 -0.670 0.000 0.826 62 A HN 0.460 nan 8.150 nan 0.000 0.444 63 F N -0.061 119.851 119.950 -0.063 0.000 2.095 63 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 63 F C 2.540 178.240 175.800 -0.167 0.000 1.104 63 F CA 1.427 59.448 58.000 0.036 0.000 1.232 63 F CB -1.030 38.008 39.000 0.063 0.000 0.987 63 F HN 0.028 nan 8.300 nan 0.000 0.475 64 V N -0.465 119.514 119.914 0.109 0.000 2.307 64 V HA -0.296 3.824 4.120 -0.000 0.000 0.245 64 V C 2.485 178.547 176.094 -0.053 0.000 1.045 64 V CA 1.461 63.793 62.300 0.053 0.000 1.024 64 V CB -0.511 31.420 31.823 0.179 0.000 0.651 64 V HN 0.239 nan 8.190 nan 0.000 0.449 65 M N -0.939 118.573 119.600 -0.146 0.000 2.132 65 M HA -0.083 4.397 4.480 -0.000 0.000 0.263 65 M C 2.135 178.297 176.300 -0.229 0.000 1.065 65 M CA 1.918 57.107 55.300 -0.185 0.000 1.122 65 M CB -0.828 31.581 32.600 -0.320 0.000 1.365 65 M HN 0.290 nan 8.290 nan 0.000 0.411 66 I N -1.232 119.128 120.570 -0.350 0.000 2.206 66 I HA -0.244 3.926 4.170 -0.000 0.000 0.239 66 I C 1.950 177.797 176.117 -0.450 0.000 1.078 66 I CA 1.259 62.260 61.300 -0.498 0.000 1.367 66 I CB -0.339 37.181 38.000 -0.799 0.000 1.078 66 I HN 0.050 nan 8.210 nan 0.000 0.413 67 F N -0.699 119.066 119.950 -0.308 0.000 2.569 67 F HA 0.016 4.543 4.527 -0.000 0.000 0.295 67 F C 1.631 177.273 175.800 -0.263 0.000 1.115 67 F CA 0.805 58.578 58.000 -0.378 0.000 1.450 67 F CB 0.031 38.607 39.000 -0.708 0.000 1.107 67 F HN -0.042 nan 8.300 nan 0.000 0.563 68 F N -2.595 117.446 119.950 0.152 0.000 2.740 68 F HA 0.204 4.731 4.527 -0.000 0.000 0.304 68 F C 1.887 177.789 175.800 0.170 0.000 1.098 68 F CA 0.023 58.119 58.000 0.161 0.000 1.258 68 F CB -0.274 38.526 39.000 -0.334 0.000 1.061 68 F HN -0.129 nan 8.300 nan 0.000 0.598 69 M N -0.495 119.220 119.600 0.192 0.000 2.751 69 M HA 0.101 4.581 4.480 -0.000 0.000 0.252 69 M C 1.926 178.313 176.300 0.145 0.000 1.264 69 M CA 1.192 56.590 55.300 0.164 0.000 1.237 69 M CB -0.421 32.224 32.600 0.075 0.000 1.242 69 M HN -0.076 nan 8.290 nan 0.000 0.525 70 V N 1.470 121.411 119.914 0.045 0.000 2.237 70 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 70 V C 2.548 178.681 176.094 0.066 0.000 1.046 70 V CA 2.042 64.359 62.300 0.029 0.000 1.007 70 V CB -0.732 31.047 31.823 -0.074 0.000 0.638 70 V HN 0.477 nan 8.190 nan 0.000 0.445 71 M N -0.687 118.931 119.600 0.031 0.000 2.132 71 M HA -0.082 4.398 4.480 -0.000 0.000 0.263 71 M C -0.071 176.309 176.300 0.133 0.000 1.065 71 M CA 2.166 57.496 55.300 0.050 0.000 1.122 71 M CB -1.355 31.260 32.600 0.026 0.000 1.365 71 M HN 0.270 nan 8.290 nan 0.000 0.411 72 P HA -0.153 nan 4.420 nan 0.000 0.216 72 P C 1.355 178.825 177.300 0.283 0.000 1.153 72 P CA 1.392 64.722 63.100 0.382 0.000 0.858 72 P CB -0.086 32.006 31.700 0.654 0.000 0.789 73 I N -2.309 118.428 120.570 0.278 0.000 2.286 73 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 73 I C 2.380 178.678 176.117 0.302 0.000 1.104 73 I CA 1.531 62.985 61.300 0.257 0.000 1.397 73 I CB -0.334 37.833 38.000 0.278 0.000 1.072 73 I HN -0.060 nan 8.210 nan 0.000 0.417 74 M N -0.199 119.571 119.600 0.284 0.000 2.160 74 M HA -0.106 4.374 4.480 -0.000 0.000 0.264 74 M C 2.142 178.580 176.300 0.229 0.000 1.073 74 M CA 1.926 57.433 55.300 0.345 0.000 1.142 74 M CB 0.046 32.757 32.600 0.184 0.000 1.358 74 M HN 0.137 nan 8.290 nan 0.000 0.422 75 I N -1.421 119.179 120.570 0.051 0.000 2.499 75 I HA 0.022 4.192 4.170 -0.000 0.000 0.243 75 I C 2.489 178.523 176.117 -0.139 0.000 1.085 75 I CA 0.928 62.158 61.300 -0.117 0.000 1.422 75 I CB -0.752 37.178 38.000 -0.117 0.000 1.165 75 I HN 0.265 nan 8.210 nan 0.000 0.440 76 G N 0.388 108.958 108.800 -0.384 0.000 2.408 76 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.217 76 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.217 76 G C 1.549 176.134 174.900 -0.525 0.000 1.150 76 G CA 0.910 45.332 45.100 -1.130 0.000 0.776 76 G HN 0.486 nan 8.290 nan 0.000 0.542 77 G N 0.316 109.029 108.800 -0.146 0.000 2.655 77 G HA2 0.103 4.063 3.960 -0.000 0.000 0.217 77 G HA3 0.103 4.063 3.960 -0.000 0.000 0.217 77 G C 1.492 176.353 174.900 -0.065 0.000 1.279 77 G CA 0.342 45.424 45.100 -0.030 0.000 0.870 77 G HN 0.274 nan 8.290 nan 0.000 0.560 78 F N 1.774 121.801 119.950 0.129 0.000 2.171 78 F HA 0.027 4.554 4.527 -0.000 0.000 0.300 78 F C 2.933 178.854 175.800 0.201 0.000 1.090 78 F CA 1.038 59.086 58.000 0.080 0.000 1.293 78 F CB -0.306 38.687 39.000 -0.012 0.000 1.013 78 F HN 0.236 nan 8.300 nan 0.000 0.486 79 G N -0.205 108.824 108.800 0.383 0.000 2.421 79 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.216 79 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.216 79 G C 1.623 176.786 174.900 0.439 0.000 1.171 79 G CA 0.847 46.079 45.100 0.220 0.000 0.775 79 G HN 0.225 nan 8.290 nan 0.000 0.543 80 N N -0.337 118.606 118.700 0.405 0.000 2.244 80 N HA -0.073 4.667 4.740 -0.000 0.000 0.183 80 N C 1.867 177.512 175.510 0.225 0.000 1.016 80 N CA 0.726 53.934 53.050 0.264 0.000 0.866 80 N CB -0.209 38.328 38.487 0.084 0.000 0.980 80 N HN 0.566 nan 8.380 nan 0.000 0.430 81 W N 1.108 122.407 121.300 -0.001 0.000 2.443 81 W HA 0.139 4.799 4.660 -0.000 0.000 0.296 81 W C 2.116 178.666 176.519 0.051 0.000 1.202 81 W CA 0.327 57.618 57.345 -0.090 0.000 1.312 81 W CB -0.139 28.961 29.460 -0.600 0.000 1.120 81 W HN -0.024 nan 8.180 nan 0.000 0.536 82 L N -1.315 120.091 121.223 0.305 0.000 2.168 82 L HA -0.119 4.221 4.340 -0.000 0.000 0.203 82 L C 2.069 179.043 176.870 0.175 0.000 1.078 82 L CA 0.415 55.338 54.840 0.139 0.000 0.780 82 L CB -1.075 40.897 42.059 -0.145 0.000 0.939 82 L HN -0.186 nan 8.230 nan 0.000 0.451 83 V N 0.696 120.742 119.914 0.220 0.000 2.261 83 V HA -0.153 3.967 4.120 -0.000 0.000 0.246 83 V C -0.201 175.889 176.094 -0.007 0.000 1.047 83 V CA 2.032 64.410 62.300 0.131 0.000 1.015 83 V CB -1.497 30.429 31.823 0.171 0.000 0.642 83 V HN 0.295 nan 8.190 nan 0.000 0.446 84 P HA -0.164 nan 4.420 nan 0.000 0.215 84 P C 1.945 179.130 177.300 -0.192 0.000 1.157 84 P CA 1.558 64.471 63.100 -0.312 0.000 0.874 84 P CB -0.118 31.083 31.700 -0.831 0.000 0.790 85 L N -2.003 119.215 121.223 -0.009 0.000 2.043 85 L HA -0.196 4.144 4.340 -0.000 0.000 0.212 85 L C 2.488 179.393 176.870 0.059 0.000 1.075 85 L CA 1.734 56.689 54.840 0.192 0.000 0.752 85 L CB -0.909 41.331 42.059 0.302 0.000 0.891 85 L HN 0.007 nan 8.230 nan 0.000 0.432 86 M N -0.395 119.241 119.600 0.059 0.000 2.562 86 M HA -0.029 4.451 4.480 -0.000 0.000 0.257 86 M C 1.659 177.956 176.300 -0.005 0.000 1.099 86 M CA 1.093 56.453 55.300 0.100 0.000 1.099 86 M CB 0.089 32.800 32.600 0.185 0.000 1.427 86 M HN 0.359 nan 8.290 nan 0.000 0.489 87 I N -4.215 116.279 120.570 -0.127 0.000 4.025 87 I HA 0.468 4.638 4.170 -0.000 0.000 0.336 87 I C 0.800 176.695 176.117 -0.370 0.000 1.390 87 I CA -0.177 61.009 61.300 -0.189 0.000 1.099 87 I CB -0.174 37.727 38.000 -0.165 0.000 1.049 87 I HN 0.254 nan 8.210 nan 0.000 0.394 88 G N 2.231 110.626 108.800 -0.676 0.000 2.295 88 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.287 88 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.287 88 G C 0.235 174.562 174.900 -0.955 0.000 1.055 88 G CA 0.245 44.396 45.100 -1.582 0.000 0.922 88 G HN 0.944 nan 8.290 nan 0.000 0.503 89 A N 0.232 122.728 122.820 -0.540 0.000 2.293 89 A HA 0.887 5.207 4.320 -0.000 0.000 0.302 89 A C -0.194 177.331 177.584 -0.099 0.000 1.119 89 A CA -0.961 50.919 52.037 -0.261 0.000 0.823 89 A CB 1.215 20.069 19.000 -0.244 0.000 1.097 89 A HN 0.142 nan 8.150 nan 0.000 0.491 90 P HA 0.026 nan 4.420 nan 0.000 0.227 90 P C 0.038 177.356 177.300 0.030 0.000 1.161 90 P CA 1.049 64.199 63.100 0.084 0.000 0.788 90 P CB 0.467 32.207 31.700 0.066 0.000 0.822 91 D N -2.683 117.657 120.400 -0.100 0.000 3.485 91 D HA 0.143 4.783 4.640 -0.000 0.000 0.358 91 D C -0.775 175.381 176.300 -0.240 0.000 1.487 91 D CA -0.436 53.474 54.000 -0.150 0.000 0.922 91 D CB 0.378 41.158 40.800 -0.032 0.000 1.479 91 D HN -0.325 nan 8.370 nan 0.000 0.567 92 M N 1.023 120.488 119.600 -0.225 0.000 2.368 92 M HA 0.406 4.886 4.480 -0.000 0.000 0.311 92 M C 1.176 177.290 176.300 -0.310 0.000 1.168 92 M CA -0.128 54.995 55.300 -0.295 0.000 1.044 92 M CB 0.825 33.239 32.600 -0.311 0.000 1.506 92 M HN 0.606 nan 8.290 nan 0.000 0.475 93 A N 1.477 124.014 122.820 -0.473 0.000 1.933 93 A HA -0.059 4.261 4.320 -0.000 0.000 0.218 93 A C 0.429 177.621 177.584 -0.653 0.000 1.175 93 A CA 1.632 53.246 52.037 -0.705 0.000 0.628 93 A CB -0.266 18.058 19.000 -1.126 0.000 0.814 93 A HN 0.576 nan 8.150 nan 0.000 0.444 94 F N -1.256 118.634 119.950 -0.100 0.000 2.449 94 F HA 0.388 4.915 4.527 -0.000 0.000 0.344 94 F C -2.234 173.523 175.800 -0.072 0.000 1.180 94 F CA -2.861 55.095 58.000 -0.074 0.000 1.209 94 F CB 1.041 40.002 39.000 -0.065 0.000 1.440 94 F HN 0.019 nan 8.300 nan 0.000 0.526 95 P HA -0.068 nan 4.420 nan 0.000 0.225 95 P C 1.816 179.141 177.300 0.043 0.000 1.156 95 P CA 0.993 64.100 63.100 0.011 0.000 0.787 95 P CB 0.358 32.054 31.700 -0.007 0.000 0.802 96 R N -0.525 120.015 120.500 0.067 0.000 2.075 96 R HA 0.114 4.454 4.340 -0.000 0.000 0.220 96 R C 2.213 178.555 176.300 0.071 0.000 1.118 96 R CA 0.741 56.877 56.100 0.060 0.000 0.986 96 R CB -0.766 29.554 30.300 0.035 0.000 0.884 96 R HN 0.030 nan 8.270 nan 0.000 0.439 97 M N 1.418 121.063 119.600 0.075 0.000 2.144 97 M HA -0.241 4.239 4.480 -0.000 0.000 0.260 97 M C 1.697 178.053 176.300 0.093 0.000 1.067 97 M CA 2.053 57.393 55.300 0.067 0.000 1.095 97 M CB -0.253 32.376 32.600 0.048 0.000 1.365 97 M HN 0.152 nan 8.290 nan 0.000 0.406 98 N N 0.528 119.283 118.700 0.092 0.000 2.223 98 N HA -0.196 4.544 4.740 -0.000 0.000 0.185 98 N C 1.305 176.896 175.510 0.135 0.000 1.016 98 N CA 1.702 54.801 53.050 0.082 0.000 0.863 98 N CB -0.383 38.107 38.487 0.004 0.000 0.983 98 N HN 0.401 nan 8.380 nan 0.000 0.429 99 N N -0.204 118.575 118.700 0.133 0.000 2.309 99 N HA -0.049 4.691 4.740 -0.000 0.000 0.182 99 N C 1.654 177.326 175.510 0.270 0.000 1.018 99 N CA 0.683 53.854 53.050 0.201 0.000 0.876 99 N CB -0.164 38.467 38.487 0.240 0.000 0.972 99 N HN 0.348 nan 8.380 nan 0.000 0.434 100 M N -0.619 119.099 119.600 0.196 0.000 2.175 100 M HA -0.078 4.402 4.480 -0.000 0.000 0.264 100 M C 1.734 178.105 176.300 0.119 0.000 1.063 100 M CA 1.032 56.436 55.300 0.173 0.000 1.119 100 M CB -0.010 32.653 32.600 0.105 0.000 1.377 100 M HN 0.055 nan 8.290 nan 0.000 0.415 101 S N 0.468 116.244 115.700 0.126 0.000 2.374 101 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 101 S C 1.501 176.130 174.600 0.048 0.000 1.037 101 S CA 1.732 60.018 58.200 0.143 0.000 1.024 101 S CB -0.613 62.738 63.200 0.253 0.000 0.861 101 S HN 0.631 nan 8.310 nan 0.000 0.456 102 F N 0.533 120.377 119.950 -0.177 0.000 2.113 102 F HA -0.049 4.478 4.527 -0.000 0.000 0.297 102 F C 1.731 177.149 175.800 -0.636 0.000 1.103 102 F CA 1.139 58.681 58.000 -0.765 0.000 1.248 102 F CB -0.487 37.837 39.000 -1.127 0.000 0.999 102 F HN 0.216 nan 8.300 nan 0.000 0.475 103 W N 0.472 121.600 121.300 -0.286 0.000 2.595 103 W HA 0.016 4.676 4.660 -0.000 0.000 0.257 103 W C 1.974 178.309 176.519 -0.306 0.000 1.267 103 W CA 0.361 57.527 57.345 -0.298 0.000 1.300 103 W CB -0.331 29.118 29.460 -0.019 0.000 1.120 103 W HN -0.004 nan 8.180 nan 0.000 0.618 104 L N -0.031 121.135 121.223 -0.095 0.000 2.353 104 L HA -0.204 4.136 4.340 -0.000 0.000 0.220 104 L C 1.937 178.712 176.870 -0.157 0.000 1.133 104 L CA 0.868 55.665 54.840 -0.071 0.000 0.798 104 L CB -0.454 41.600 42.059 -0.010 0.000 0.922 104 L HN 0.134 nan 8.230 nan 0.000 0.445 105 L N -1.007 119.951 121.223 -0.442 0.000 2.221 105 L HA 0.001 4.341 4.340 -0.000 0.000 0.202 105 L C -0.247 176.424 176.870 -0.332 0.000 1.074 105 L CA 0.547 55.096 54.840 -0.486 0.000 0.795 105 L CB -1.420 40.050 42.059 -0.983 0.000 0.960 105 L HN 0.155 nan 8.230 nan 0.000 0.458 106 P HA -0.115 nan 4.420 nan 0.000 0.215 106 P C -1.448 175.885 177.300 0.056 0.000 1.157 106 P CA 1.539 64.668 63.100 0.048 0.000 0.868 106 P CB -1.054 30.690 31.700 0.073 0.000 0.788 107 P HA -0.169 nan 4.420 nan 0.000 0.215 107 P C 1.915 179.255 177.300 0.066 0.000 1.157 107 P CA 1.763 64.887 63.100 0.041 0.000 0.868 107 P CB -0.545 31.173 31.700 0.030 0.000 0.788 108 S N -1.834 113.908 115.700 0.070 0.000 2.370 108 S HA -0.179 4.291 4.470 -0.000 0.000 0.226 108 S C 1.792 176.492 174.600 0.168 0.000 1.033 108 S CA 1.020 59.311 58.200 0.152 0.000 1.011 108 S CB -1.070 62.278 63.200 0.246 0.000 0.852 108 S HN 0.079 nan 8.310 nan 0.000 0.457 109 F N 0.597 120.371 119.950 -0.293 0.000 2.206 109 F HA -0.040 4.487 4.527 -0.000 0.000 0.298 109 F C 2.007 177.752 175.800 -0.091 0.000 1.090 109 F CA 0.608 58.301 58.000 -0.513 0.000 1.323 109 F CB -0.074 38.559 39.000 -0.612 0.000 1.028 109 F HN 0.279 nan 8.300 nan 0.000 0.492 110 L N 0.962 122.264 121.223 0.132 0.000 2.042 110 L HA -0.228 4.112 4.340 -0.000 0.000 0.210 110 L C 2.005 178.944 176.870 0.115 0.000 1.076 110 L CA 1.732 56.613 54.840 0.069 0.000 0.749 110 L CB -0.926 41.154 42.059 0.035 0.000 0.893 110 L HN 0.151 nan 8.230 nan 0.000 0.432 111 L N -1.281 120.023 121.223 0.136 0.000 2.079 111 L HA -0.250 4.090 4.340 -0.000 0.000 0.210 111 L C 2.527 179.498 176.870 0.168 0.000 1.081 111 L CA 1.526 56.452 54.840 0.144 0.000 0.752 111 L CB -0.562 41.587 42.059 0.151 0.000 0.896 111 L HN 0.392 nan 8.230 nan 0.000 0.433 112 L N -0.413 120.951 121.223 0.235 0.000 2.044 112 L HA -0.184 4.156 4.340 -0.000 0.000 0.205 112 L C 2.498 179.529 176.870 0.268 0.000 1.075 112 L CA 1.196 56.200 54.840 0.274 0.000 0.747 112 L CB -0.087 42.248 42.059 0.460 0.000 0.903 112 L HN 0.135 nan 8.230 nan 0.000 0.435 113 L N 0.124 121.508 121.223 0.267 0.000 2.043 113 L HA -0.251 4.088 4.340 -0.000 0.000 0.212 113 L C 2.876 179.825 176.870 0.132 0.000 1.075 113 L CA 1.315 56.260 54.840 0.175 0.000 0.752 113 L CB -1.062 41.053 42.059 0.092 0.000 0.891 113 L HN 0.405 nan 8.230 nan 0.000 0.432 114 A N -0.558 122.334 122.820 0.119 0.000 1.902 114 A HA -0.254 4.066 4.320 -0.000 0.000 0.217 114 A C 2.564 180.213 177.584 0.109 0.000 1.181 114 A CA 2.047 54.144 52.037 0.099 0.000 0.623 114 A CB -0.787 18.269 19.000 0.094 0.000 0.818 114 A HN 0.417 nan 8.150 nan 0.000 0.443 115 S N 0.452 116.228 115.700 0.126 0.000 2.374 115 S HA -0.198 4.272 4.470 -0.000 0.000 0.227 115 S C 2.195 176.872 174.600 0.128 0.000 1.037 115 S CA 2.446 60.720 58.200 0.124 0.000 1.024 115 S CB -0.576 62.700 63.200 0.128 0.000 0.861 115 S HN 0.942 nan 8.310 nan 0.000 0.456 116 S N 0.212 115.996 115.700 0.140 0.000 2.527 116 S HA 0.159 4.629 4.470 -0.000 0.000 0.222 116 S C 1.823 176.486 174.600 0.105 0.000 0.985 116 S CA 0.490 58.770 58.200 0.132 0.000 0.921 116 S CB -0.274 63.015 63.200 0.148 0.000 0.772 116 S HN 0.516 nan 8.310 nan 0.000 0.529 117 M N 1.888 121.546 119.600 0.095 0.000 2.394 117 M HA 0.223 4.703 4.480 -0.000 0.000 0.266 117 M C 1.052 177.392 176.300 0.067 0.000 1.098 117 M CA 0.445 55.790 55.300 0.075 0.000 1.149 117 M CB -0.593 32.046 32.600 0.066 0.000 1.369 117 M HN 0.386 nan 8.290 nan 0.000 0.450 118 V N -0.318 119.640 119.914 0.073 0.000 2.834 118 V HA 0.303 4.423 4.120 -0.000 0.000 0.301 118 V C 0.768 176.901 176.094 0.065 0.000 1.066 118 V CA -0.841 61.498 62.300 0.065 0.000 1.052 118 V CB 0.884 32.748 31.823 0.067 0.000 1.021 118 V HN 0.528 nan 8.190 nan 0.000 0.480 119 E N 2.620 122.850 120.200 0.051 0.000 3.259 119 E HA -0.328 4.022 4.350 -0.000 0.000 0.332 119 E C 0.883 177.508 176.600 0.041 0.000 1.477 119 E CA 2.072 58.497 56.400 0.041 0.000 1.742 119 E CB -1.706 28.020 29.700 0.043 0.000 1.842 119 E HN 1.576 nan 8.360 nan 0.000 0.499 120 A N 1.532 124.374 122.820 0.036 0.000 2.535 120 A HA 0.529 4.849 4.320 -0.000 0.000 0.273 120 A C 0.915 178.547 177.584 0.081 0.000 1.267 120 A CA 1.523 53.584 52.037 0.040 0.000 0.940 120 A CB -0.102 18.898 19.000 -0.001 0.000 1.101 120 A HN 1.417 nan 8.150 nan 0.000 0.521 121 G N -0.833 108.029 108.800 0.105 0.000 2.796 121 G HA2 0.274 4.234 3.960 -0.000 0.000 0.226 121 G HA3 0.274 4.234 3.960 -0.000 0.000 0.226 121 G C 0.153 175.182 174.900 0.215 0.000 1.381 121 G CA -0.277 44.909 45.100 0.144 0.000 0.867 121 G HN 1.772 nan 8.290 nan 0.000 0.552 122 A N 0.143 123.083 122.820 0.200 0.000 2.444 122 A HA 0.726 5.046 4.320 -0.000 0.000 0.332 122 A C 0.887 178.547 177.584 0.126 0.000 1.430 122 A CA 0.851 52.989 52.037 0.169 0.000 0.975 122 A CB 0.425 19.483 19.000 0.097 0.000 1.147 122 A HN 2.311 nan 8.150 nan 0.000 0.524 123 G N 1.516 110.454 108.800 0.231 0.000 4.178 123 G HA2 0.350 4.310 3.960 -0.000 0.000 0.287 123 G HA3 0.350 4.310 3.960 -0.000 0.000 0.287 123 G C 0.684 175.592 174.900 0.014 0.000 1.293 123 G CA 0.547 45.750 45.100 0.171 0.000 1.393 123 G HN 0.797 nan 8.290 nan 0.000 0.623 124 T N -3.023 111.449 114.554 -0.137 0.000 3.044 124 T HA 0.478 4.828 4.350 -0.000 0.000 0.260 124 T C 1.186 175.778 174.700 -0.179 0.000 1.019 124 T CA 0.415 62.380 62.100 -0.225 0.000 0.921 124 T CB 0.595 69.267 68.868 -0.326 0.000 1.053 124 T HN 1.461 nan 8.240 nan 0.000 0.533 125 G N 1.932 110.657 108.800 -0.125 0.000 2.757 125 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 125 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 125 G C 0.379 175.123 174.900 -0.260 0.000 1.452 125 G CA -0.218 44.783 45.100 -0.165 0.000 0.922 125 G HN 0.646 nan 8.290 nan 0.000 0.588 126 W N 1.011 121.992 121.300 -0.531 0.000 2.538 126 W HA -0.081 4.579 4.660 -0.000 0.000 0.254 126 W C 1.459 177.685 176.519 -0.490 0.000 1.249 126 W CA 1.994 58.835 57.345 -0.841 0.000 1.253 126 W CB -1.423 27.489 29.460 -0.913 0.000 1.130 126 W HN 0.987 nan 8.180 nan 0.000 0.618 127 T N -0.918 112.944 114.554 -1.153 0.000 3.081 127 T HA 0.104 4.454 4.350 -0.000 0.000 0.255 127 T C 1.144 175.296 174.700 -0.914 0.000 1.113 127 T CA 0.650 61.686 62.100 -1.773 0.000 1.082 127 T CB -0.689 67.169 68.868 -1.682 0.000 0.939 127 T HN 0.154 nan 8.240 nan 0.000 0.506 128 V N 0.535 120.147 119.914 -0.503 0.000 5.325 128 V HA -0.236 3.884 4.120 -0.000 0.000 0.291 128 V C 0.144 176.004 176.094 -0.391 0.000 0.541 128 V CA 0.250 62.364 62.300 -0.311 0.000 0.687 128 V CB -3.003 28.730 31.823 -0.149 0.000 0.491 128 V HN 0.710 nan 8.190 nan 0.000 1.145 129 Y N 1.903 121.931 120.300 -0.453 0.000 2.526 129 Y HA 0.236 4.786 4.550 -0.000 0.000 0.330 129 Y C -0.764 174.871 175.900 -0.442 0.000 1.156 129 Y CA -1.844 55.978 58.100 -0.463 0.000 1.419 129 Y CB 0.958 39.297 38.460 -0.201 0.000 1.250 129 Y HN 0.275 nan 8.280 nan 0.000 0.540 130 P HA 0.081 nan 4.420 nan 0.000 0.274 130 P C -2.379 174.889 177.300 -0.053 0.000 1.246 130 P CA -1.583 61.402 63.100 -0.191 0.000 0.795 130 P CB 0.740 32.321 31.700 -0.199 0.000 1.006 131 P HA 0.060 nan 4.420 nan 0.000 0.245 131 P C 1.505 178.827 177.300 0.036 0.000 1.206 131 P CA 0.008 63.124 63.100 0.027 0.000 0.781 131 P CB -0.113 31.619 31.700 0.053 0.000 0.994 132 L N 0.688 121.936 121.223 0.041 0.000 2.089 132 L HA -0.166 4.174 4.340 -0.000 0.000 0.213 132 L C 1.964 178.876 176.870 0.071 0.000 1.079 132 L CA 2.167 57.056 54.840 0.082 0.000 0.758 132 L CB -1.283 40.817 42.059 0.068 0.000 0.891 132 L HN -0.030 nan 8.230 nan 0.000 0.433 133 A N -1.168 121.607 122.820 -0.075 0.000 2.251 133 A HA 0.417 4.737 4.320 -0.000 0.000 0.209 133 A C 1.382 178.938 177.584 -0.048 0.000 1.187 133 A CA 0.355 52.299 52.037 -0.156 0.000 0.823 133 A CB -1.155 17.685 19.000 -0.267 0.000 0.846 133 A HN 0.469 nan 8.150 nan 0.000 0.486 134 G N 0.114 108.917 108.800 0.005 0.000 2.653 134 G HA2 0.249 4.209 3.960 -0.000 0.000 0.265 134 G HA3 0.249 4.209 3.960 -0.000 0.000 0.265 134 G C 0.576 175.517 174.900 0.069 0.000 1.237 134 G CA 0.152 45.277 45.100 0.040 0.000 0.946 134 G HN 0.473 nan 8.290 nan 0.000 0.522 135 N N -0.856 117.878 118.700 0.057 0.000 2.515 135 N HA -0.044 4.696 4.740 -0.000 0.000 0.185 135 N C 1.591 177.129 175.510 0.047 0.000 1.109 135 N CA 0.488 53.570 53.050 0.053 0.000 0.903 135 N CB -0.010 38.502 38.487 0.042 0.000 0.969 135 N HN 0.306 nan 8.380 nan 0.000 0.450 136 L N -0.233 121.019 121.223 0.048 0.000 2.145 136 L HA 0.396 4.736 4.340 -0.000 0.000 0.201 136 L C 2.036 178.928 176.870 0.035 0.000 1.075 136 L CA 1.182 56.044 54.840 0.037 0.000 0.773 136 L CB -0.739 41.342 42.059 0.036 0.000 0.936 136 L HN 0.180 nan 8.230 nan 0.000 0.451 137 A N -2.465 120.391 122.820 0.061 0.000 2.218 137 A HA 0.057 4.377 4.320 -0.000 0.000 0.209 137 A C 0.154 177.762 177.584 0.039 0.000 1.168 137 A CA 0.443 52.518 52.037 0.063 0.000 0.804 137 A CB -0.597 18.466 19.000 0.105 0.000 0.834 137 A HN 0.611 nan 8.150 nan 0.000 0.482 138 H N -0.887 118.192 119.070 0.014 0.000 2.695 138 H HA 0.521 5.077 4.556 -0.000 0.000 0.222 138 H C 0.045 175.381 175.328 0.014 0.000 1.412 138 H CA -0.103 55.954 56.048 0.014 0.000 1.347 138 H CB 0.417 30.183 29.762 0.006 0.000 1.858 138 H HN 0.388 nan 8.280 nan 0.000 0.519 139 A N 0.925 123.761 122.820 0.027 0.000 2.386 139 A HA 0.640 4.960 4.320 -0.000 0.000 0.248 139 A C 1.053 178.659 177.584 0.035 0.000 1.082 139 A CA 0.631 52.687 52.037 0.031 0.000 0.789 139 A CB -0.102 18.905 19.000 0.012 0.000 1.025 139 A HN 0.902 nan 8.150 nan 0.000 0.490 140 G N -0.710 108.116 108.800 0.043 0.000 2.685 140 G HA2 0.305 4.265 3.960 -0.000 0.000 0.387 140 G HA3 0.305 4.265 3.960 -0.000 0.000 0.387 140 G C 0.766 175.704 174.900 0.063 0.000 1.324 140 G CA 0.209 45.338 45.100 0.048 0.000 0.878 140 G HN 2.007 nan 8.290 nan 0.000 0.527 141 A N -0.658 122.203 122.820 0.069 0.000 2.067 141 A HA 0.356 4.676 4.320 -0.000 0.000 0.217 141 A C 2.678 180.312 177.584 0.083 0.000 1.156 141 A CA 2.373 54.459 52.037 0.081 0.000 0.683 141 A CB -0.577 18.477 19.000 0.089 0.000 0.808 141 A HN 1.527 nan 8.150 nan 0.000 0.455 142 S N -0.133 115.623 115.700 0.094 0.000 2.359 142 S HA -0.191 4.279 4.470 -0.000 0.000 0.222 142 S C 1.886 176.533 174.600 0.078 0.000 1.038 142 S CA 1.764 60.028 58.200 0.107 0.000 1.051 142 S CB -0.552 62.735 63.200 0.145 0.000 0.944 142 S HN 0.360 nan 8.310 nan 0.000 0.433 143 V N 2.478 122.434 119.914 0.070 0.000 2.407 143 V HA -0.170 3.950 4.120 -0.000 0.000 0.248 143 V C 1.955 178.002 176.094 -0.077 0.000 1.055 143 V CA 1.742 64.036 62.300 -0.009 0.000 1.049 143 V CB -0.667 31.138 31.823 -0.031 0.000 0.662 143 V HN 0.440 nan 8.190 nan 0.000 0.455 144 D N -0.139 120.221 120.400 -0.067 0.000 2.178 144 D HA -0.086 4.554 4.640 -0.000 0.000 0.202 144 D C 2.137 178.353 176.300 -0.140 0.000 0.974 144 D CA 0.955 54.837 54.000 -0.197 0.000 0.841 144 D CB -0.030 40.699 40.800 -0.117 0.000 0.953 144 D HN 0.359 nan 8.370 nan 0.000 0.478 145 L N 0.725 121.980 121.223 0.053 0.000 2.083 145 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 145 L C 2.539 179.444 176.870 0.058 0.000 1.083 145 L CA 1.072 56.000 54.840 0.146 0.000 0.752 145 L CB -0.554 41.588 42.059 0.139 0.000 0.899 145 L HN -0.012 nan 8.230 nan 0.000 0.433 146 T N 0.007 114.541 114.554 -0.033 0.000 2.746 146 T HA -0.133 4.217 4.350 -0.000 0.000 0.267 146 T C 1.904 176.450 174.700 -0.256 0.000 1.039 146 T CA 1.290 63.302 62.100 -0.147 0.000 1.142 146 T CB -0.172 68.634 68.868 -0.103 0.000 0.866 146 T HN 0.185 nan 8.240 nan 0.000 0.444 147 I N 0.193 120.598 120.570 -0.274 0.000 2.226 147 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 147 I C 1.996 177.929 176.117 -0.307 0.000 1.100 147 I CA 1.272 62.337 61.300 -0.392 0.000 1.374 147 I CB -0.340 37.376 38.000 -0.474 0.000 1.057 147 I HN 0.148 nan 8.210 nan 0.000 0.413 148 F N 0.379 120.300 119.950 -0.047 0.000 2.171 148 F HA -0.217 4.310 4.527 -0.000 0.000 0.300 148 F C 2.939 178.742 175.800 0.004 0.000 1.090 148 F CA 1.473 59.515 58.000 0.070 0.000 1.293 148 F CB -1.161 37.883 39.000 0.073 0.000 1.013 148 F HN 0.023 nan 8.300 nan 0.000 0.486 149 S N -0.002 115.759 115.700 0.101 0.000 2.368 149 S HA -0.126 4.344 4.470 -0.000 0.000 0.224 149 S C 2.170 176.698 174.600 -0.119 0.000 1.029 149 S CA 0.981 59.205 58.200 0.040 0.000 0.988 149 S CB -0.365 62.832 63.200 -0.005 0.000 0.838 149 S HN 0.329 nan 8.310 nan 0.000 0.462 150 L N 0.129 121.156 121.223 -0.328 0.000 2.093 150 L HA -0.064 4.276 4.340 -0.000 0.000 0.208 150 L C 2.407 179.118 176.870 -0.265 0.000 1.085 150 L CA 1.599 56.139 54.840 -0.499 0.000 0.755 150 L CB -0.664 41.030 42.059 -0.609 0.000 0.904 150 L HN 0.448 nan 8.230 nan 0.000 0.435 151 H N -0.599 118.401 119.070 -0.117 0.000 2.387 151 H HA -0.120 4.436 4.556 -0.000 0.000 0.299 151 H C 2.300 177.619 175.328 -0.016 0.000 1.090 151 H CA 0.964 56.987 56.048 -0.040 0.000 1.332 151 H CB 0.216 30.018 29.762 0.066 0.000 1.386 151 H HN 0.211 nan 8.280 nan 0.000 0.516 152 L N -0.248 121.057 121.223 0.137 0.000 2.072 152 L HA -0.080 4.260 4.340 -0.000 0.000 0.205 152 L C 2.779 179.693 176.870 0.074 0.000 1.079 152 L CA 0.834 55.729 54.840 0.091 0.000 0.752 152 L CB -0.579 41.533 42.059 0.088 0.000 0.906 152 L HN 0.338 nan 8.230 nan 0.000 0.436 153 A N 0.540 123.392 122.820 0.054 0.000 1.933 153 A HA -0.110 4.210 4.320 -0.000 0.000 0.218 153 A C 2.382 180.013 177.584 0.078 0.000 1.175 153 A CA 1.684 53.770 52.037 0.081 0.000 0.628 153 A CB -1.114 17.843 19.000 -0.072 0.000 0.814 153 A HN 0.433 nan 8.150 nan 0.000 0.444 154 G N -0.418 108.386 108.800 0.006 0.000 2.459 154 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.217 154 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.217 154 G C 1.540 176.483 174.900 0.072 0.000 1.183 154 G CA 1.351 46.468 45.100 0.029 0.000 0.776 154 G HN 0.315 nan 8.290 nan 0.000 0.552 155 V N 0.787 120.742 119.914 0.068 0.000 2.295 155 V HA -0.198 3.922 4.120 -0.000 0.000 0.246 155 V C 3.056 179.197 176.094 0.078 0.000 1.049 155 V CA 2.295 64.632 62.300 0.062 0.000 1.024 155 V CB -0.527 31.323 31.823 0.044 0.000 0.648 155 V HN 0.503 nan 8.190 nan 0.000 0.447 156 S N -0.383 115.369 115.700 0.087 0.000 2.359 156 S HA -0.255 4.215 4.470 -0.000 0.000 0.223 156 S C 2.238 176.926 174.600 0.147 0.000 1.039 156 S CA 2.407 60.672 58.200 0.109 0.000 1.042 156 S CB -0.370 62.897 63.200 0.110 0.000 0.915 156 S HN 0.594 nan 8.310 nan 0.000 0.439 157 S N 0.828 116.623 115.700 0.159 0.000 2.383 157 S HA 0.070 4.540 4.470 -0.000 0.000 0.227 157 S C 1.760 176.455 174.600 0.157 0.000 1.026 157 S CA 1.242 59.547 58.200 0.174 0.000 0.981 157 S CB -0.432 62.881 63.200 0.189 0.000 0.818 157 S HN 0.527 nan 8.310 nan 0.000 0.472 158 I N 1.393 122.041 120.570 0.131 0.000 2.163 158 I HA -0.212 3.958 4.170 -0.000 0.000 0.243 158 I C 1.917 178.099 176.117 0.107 0.000 1.085 158 I CA 1.194 62.562 61.300 0.113 0.000 1.347 158 I CB -0.292 37.760 38.000 0.087 0.000 1.044 158 I HN 0.251 nan 8.210 nan 0.000 0.408 159 L N -0.136 121.146 121.223 0.097 0.000 2.109 159 L HA -0.056 4.284 4.340 -0.000 0.000 0.207 159 L C 2.690 179.630 176.870 0.117 0.000 1.086 159 L CA 1.216 56.109 54.840 0.088 0.000 0.760 159 L CB -1.246 40.852 42.059 0.065 0.000 0.910 159 L HN 0.299 nan 8.230 nan 0.000 0.437 160 G N 0.194 109.080 108.800 0.144 0.000 2.469 160 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 160 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 160 G C 1.781 176.823 174.900 0.238 0.000 1.150 160 G CA 0.995 46.200 45.100 0.173 0.000 0.763 160 G HN 0.467 nan 8.290 nan 0.000 0.561 161 A N 0.658 123.610 122.820 0.221 0.000 1.873 161 A HA 0.075 4.395 4.320 -0.000 0.000 0.215 161 A C 2.419 180.114 177.584 0.185 0.000 1.186 161 A CA 1.303 53.473 52.037 0.221 0.000 0.616 161 A CB -0.352 18.748 19.000 0.166 0.000 0.823 161 A HN 0.374 nan 8.150 nan 0.000 0.442 162 I N -0.117 120.544 120.570 0.153 0.000 2.163 162 I HA -0.281 3.889 4.170 -0.000 0.000 0.243 162 I C 2.485 178.716 176.117 0.189 0.000 1.085 162 I CA 1.375 62.771 61.300 0.160 0.000 1.347 162 I CB -0.448 37.635 38.000 0.138 0.000 1.044 162 I HN 0.351 nan 8.210 nan 0.000 0.408 163 N N 0.958 119.757 118.700 0.165 0.000 2.069 163 N HA -0.208 4.532 4.740 -0.000 0.000 0.191 163 N C 1.922 177.337 175.510 -0.158 0.000 1.031 163 N CA 1.811 54.873 53.050 0.020 0.000 0.852 163 N CB -0.321 38.102 38.487 -0.107 0.000 1.018 163 N HN 0.230 nan 8.380 nan 0.000 0.423 164 F N 0.907 120.847 119.950 -0.017 0.000 2.134 164 F HA -0.047 4.480 4.527 -0.000 0.000 0.299 164 F C 2.352 178.098 175.800 -0.091 0.000 1.097 164 F CA 0.715 58.671 58.000 -0.073 0.000 1.264 164 F CB -0.160 38.797 39.000 -0.072 0.000 1.001 164 F HN 0.020 nan 8.300 nan 0.000 0.479 165 I N -0.797 119.851 120.570 0.131 0.000 2.252 165 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 165 I C 2.257 178.364 176.117 -0.017 0.000 1.102 165 I CA 1.436 62.765 61.300 0.047 0.000 1.385 165 I CB -0.725 37.312 38.000 0.062 0.000 1.064 165 I HN 0.087 nan 8.210 nan 0.000 0.414 166 T N -0.041 114.497 114.554 -0.026 0.000 2.674 166 T HA -0.180 4.170 4.350 -0.000 0.000 0.265 166 T C 1.926 176.507 174.700 -0.198 0.000 1.039 166 T CA 2.114 64.152 62.100 -0.103 0.000 1.150 166 T CB -0.505 68.292 68.868 -0.119 0.000 0.864 166 T HN 0.343 nan 8.240 nan 0.000 0.427 167 T N 1.909 116.312 114.554 -0.252 0.000 2.685 167 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 167 T C 1.914 176.508 174.700 -0.177 0.000 1.034 167 T CA 1.160 63.112 62.100 -0.246 0.000 1.149 167 T CB -0.396 68.319 68.868 -0.255 0.000 0.860 167 T HN 0.313 nan 8.240 nan 0.000 0.449 168 I N -0.130 120.360 120.570 -0.134 0.000 2.716 168 I HA -0.011 4.159 4.170 -0.000 0.000 0.259 168 I C 1.790 177.793 176.117 -0.188 0.000 1.172 168 I CA 0.458 61.665 61.300 -0.156 0.000 1.478 168 I CB 0.036 37.946 38.000 -0.150 0.000 1.104 168 I HN 0.179 nan 8.210 nan 0.000 0.439 169 I N 0.376 120.851 120.570 -0.158 0.000 2.480 169 I HA -0.126 4.044 4.170 -0.000 0.000 0.251 169 I C 1.925 177.963 176.117 -0.133 0.000 1.124 169 I CA 1.370 62.581 61.300 -0.148 0.000 1.444 169 I CB -1.040 36.898 38.000 -0.102 0.000 1.098 169 I HN 0.256 nan 8.210 nan 0.000 0.428 170 N N 0.112 118.732 118.700 -0.135 0.000 2.322 170 N HA 0.107 4.847 4.740 -0.000 0.000 0.181 170 N C 1.117 176.547 175.510 -0.133 0.000 1.088 170 N CA 0.442 53.419 53.050 -0.123 0.000 0.885 170 N CB 0.339 38.751 38.487 -0.125 0.000 1.013 170 N HN 0.108 nan 8.380 nan 0.000 0.472 171 M N 0.148 119.655 119.600 -0.156 0.000 2.685 171 M HA 0.225 4.705 4.480 -0.000 0.000 0.355 171 M C -0.447 175.759 176.300 -0.157 0.000 1.197 171 M CA -0.205 55.001 55.300 -0.157 0.000 0.947 171 M CB 0.717 33.206 32.600 -0.185 0.000 1.346 171 M HN -0.143 nan 8.290 nan 0.000 0.516 172 K N 1.305 121.617 120.400 -0.147 0.000 2.107 172 K HA 0.385 4.705 4.320 -0.000 0.000 0.251 172 K C -2.384 174.141 176.600 -0.125 0.000 1.012 172 K CA -1.595 54.606 56.287 -0.144 0.000 0.920 172 K CB 0.023 32.441 32.500 -0.137 0.000 1.033 172 K HN -0.115 nan 8.250 nan 0.000 0.478 173 P HA 0.004 nan 4.420 nan 0.000 0.269 173 P C -2.071 175.175 177.300 -0.090 0.000 1.209 173 P CA -1.028 62.011 63.100 -0.102 0.000 0.776 173 P CB 0.095 31.738 31.700 -0.095 0.000 0.876 174 P HA -0.176 nan 4.420 nan 0.000 0.218 174 P C 0.941 178.199 177.300 -0.070 0.000 1.148 174 P CA 1.544 64.600 63.100 -0.073 0.000 0.822 174 P CB -0.297 31.361 31.700 -0.069 0.000 0.784 175 A N -1.071 121.701 122.820 -0.081 0.000 2.169 175 A HA 0.066 4.386 4.320 -0.000 0.000 0.212 175 A C 1.362 178.920 177.584 -0.043 0.000 1.153 175 A CA 0.002 52.000 52.037 -0.065 0.000 0.756 175 A CB -0.937 18.011 19.000 -0.087 0.000 0.813 175 A HN 0.218 nan 8.150 nan 0.000 0.471 176 M N 1.977 121.547 119.600 -0.051 0.000 2.143 176 M HA 0.306 4.786 4.480 -0.000 0.000 0.348 176 M C 0.462 176.738 176.300 -0.039 0.000 1.375 176 M CA -0.214 55.064 55.300 -0.037 0.000 1.124 176 M CB 0.606 33.175 32.600 -0.051 0.000 1.669 176 M HN 0.383 nan 8.290 nan 0.000 0.469 177 S N 3.441 119.138 115.700 -0.005 0.000 2.661 177 S HA 0.158 4.628 4.470 -0.000 0.000 0.265 177 S C 0.706 175.260 174.600 -0.077 0.000 1.225 177 S CA -0.389 57.797 58.200 -0.023 0.000 0.986 177 S CB 1.296 64.538 63.200 0.070 0.000 1.008 177 S HN 0.850 nan 8.310 nan 0.000 0.565 178 Q N -0.223 119.435 119.800 -0.236 0.000 2.170 178 Q HA 0.014 4.354 4.340 -0.000 0.000 0.203 178 Q C 0.694 176.691 176.000 -0.005 0.000 0.976 178 Q CA 1.736 57.320 55.803 -0.364 0.000 0.858 178 Q CB -0.651 27.733 28.738 -0.590 0.000 0.907 178 Q HN 0.854 nan 8.270 nan 0.000 0.433 179 Y N -0.441 120.124 120.300 0.442 0.000 2.471 179 Y HA 0.173 4.723 4.550 -0.000 0.000 0.321 179 Y C 0.624 176.700 175.900 0.294 0.000 1.195 179 Y CA 0.222 58.670 58.100 0.580 0.000 1.272 179 Y CB -0.004 38.695 38.460 0.398 0.000 1.097 179 Y HN 0.130 nan 8.280 nan 0.000 0.507 180 Q N -0.363 119.599 119.800 0.269 0.000 2.112 180 Q HA 0.136 4.476 4.340 -0.000 0.000 0.222 180 Q C 0.152 176.231 176.000 0.131 0.000 0.798 180 Q CA -0.188 55.678 55.803 0.106 0.000 1.060 180 Q CB 0.931 29.698 28.738 0.048 0.000 1.184 180 Q HN 0.299 nan 8.270 nan 0.000 0.475 181 T N -2.223 112.483 114.554 0.254 0.000 2.925 181 T HA 0.621 4.971 4.350 -0.000 0.000 0.285 181 T C -2.667 172.293 174.700 0.433 0.000 1.021 181 T CA -2.361 59.846 62.100 0.179 0.000 1.042 181 T CB 1.771 70.589 68.868 -0.084 0.000 1.037 181 T HN -0.244 nan 8.240 nan 0.000 0.481 182 P HA 0.273 nan 4.420 nan 0.000 0.272 182 P C 1.031 178.745 177.300 0.689 0.000 1.240 182 P CA -0.670 62.769 63.100 0.564 0.000 0.791 182 P CB 0.506 32.569 31.700 0.604 0.000 0.978 183 L N -0.005 121.652 121.223 0.723 0.000 2.131 183 L HA -0.170 4.170 4.340 -0.000 0.000 0.210 183 L C 2.171 179.402 176.870 0.601 0.000 1.092 183 L CA 1.386 56.594 54.840 0.613 0.000 0.759 183 L CB -0.666 41.663 42.059 0.449 0.000 0.903 183 L HN 0.354 nan 8.230 nan 0.000 0.435 184 F N 0.356 120.618 119.950 0.520 0.000 2.171 184 F HA -0.174 4.353 4.527 -0.000 0.000 0.300 184 F C 2.184 178.051 175.800 0.111 0.000 1.090 184 F CA 1.309 59.391 58.000 0.138 0.000 1.293 184 F CB -0.320 38.515 39.000 -0.275 0.000 1.013 184 F HN -0.248 nan 8.300 nan 0.000 0.486 185 V N -0.911 119.052 119.914 0.082 0.000 2.307 185 V HA -0.314 3.806 4.120 -0.000 0.000 0.245 185 V C 2.147 178.159 176.094 -0.136 0.000 1.045 185 V CA 2.019 64.242 62.300 -0.128 0.000 1.024 185 V CB -1.122 30.684 31.823 -0.028 0.000 0.651 185 V HN 0.490 nan 8.190 nan 0.000 0.449 186 W N 0.911 122.208 121.300 -0.006 0.000 2.305 186 W HA -0.316 4.344 4.660 -0.000 0.000 0.308 186 W C 3.036 179.516 176.519 -0.064 0.000 1.226 186 W CA 2.229 59.565 57.345 -0.015 0.000 1.253 186 W CB -0.553 28.921 29.460 0.024 0.000 1.146 186 W HN 0.392 nan 8.180 nan 0.000 0.507 187 S N -0.509 115.284 115.700 0.156 0.000 2.399 187 S HA -0.169 4.301 4.470 -0.000 0.000 0.231 187 S C 1.671 176.182 174.600 -0.147 0.000 1.022 187 S CA 1.601 59.827 58.200 0.043 0.000 0.983 187 S CB -0.882 62.384 63.200 0.109 0.000 0.803 187 S HN 0.067 nan 8.310 nan 0.000 0.480 188 V N 1.770 121.444 119.914 -0.401 0.000 2.323 188 V HA -0.081 4.039 4.120 -0.000 0.000 0.244 188 V C 2.617 178.538 176.094 -0.288 0.000 1.041 188 V CA 2.065 64.052 62.300 -0.521 0.000 1.025 188 V CB -0.753 30.551 31.823 -0.865 0.000 0.656 188 V HN 0.566 nan 8.190 nan 0.000 0.451 189 M N -0.189 119.302 119.600 -0.180 0.000 2.073 189 M HA -0.234 4.246 4.480 -0.000 0.000 0.258 189 M C 2.072 178.384 176.300 0.021 0.000 1.070 189 M CA 2.261 57.521 55.300 -0.067 0.000 1.103 189 M CB -0.340 32.205 32.600 -0.091 0.000 1.321 189 M HN 0.254 nan 8.290 nan 0.000 0.405 190 I N -0.729 119.889 120.570 0.081 0.000 2.163 190 I HA -0.322 3.848 4.170 -0.000 0.000 0.243 190 I C 2.232 178.399 176.117 0.083 0.000 1.085 190 I CA 1.763 63.136 61.300 0.122 0.000 1.347 190 I CB -0.926 37.178 38.000 0.173 0.000 1.044 190 I HN 0.352 nan 8.210 nan 0.000 0.408 191 T N 0.683 115.247 114.554 0.018 0.000 2.720 191 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 191 T C 2.044 176.763 174.700 0.031 0.000 1.037 191 T CA 1.555 63.656 62.100 0.001 0.000 1.144 191 T CB -0.338 68.481 68.868 -0.081 0.000 0.864 191 T HN 0.506 nan 8.240 nan 0.000 0.444 192 A N 0.770 123.598 122.820 0.013 0.000 1.933 192 A HA -0.045 4.275 4.320 -0.000 0.000 0.218 192 A C 2.555 180.205 177.584 0.111 0.000 1.175 192 A CA 1.299 53.378 52.037 0.070 0.000 0.628 192 A CB -0.886 18.168 19.000 0.091 0.000 0.814 192 A HN 0.378 nan 8.150 nan 0.000 0.444 193 V N 0.261 120.243 119.914 0.113 0.000 2.427 193 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 193 V C 2.523 178.736 176.094 0.197 0.000 1.051 193 V CA 1.714 64.094 62.300 0.133 0.000 1.048 193 V CB -0.715 31.184 31.823 0.127 0.000 0.666 193 V HN 0.562 nan 8.190 nan 0.000 0.456 194 L N -0.807 120.558 121.223 0.237 0.000 2.046 194 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 194 L C 2.458 179.503 176.870 0.290 0.000 1.077 194 L CA 1.548 56.594 54.840 0.345 0.000 0.747 194 L CB -0.628 41.543 42.059 0.186 0.000 0.896 194 L HN 0.308 nan 8.230 nan 0.000 0.432 195 L N -0.468 120.869 121.223 0.189 0.000 2.012 195 L HA -0.267 4.073 4.340 -0.000 0.000 0.210 195 L C 2.612 179.603 176.870 0.202 0.000 1.073 195 L CA 1.042 55.996 54.840 0.191 0.000 0.748 195 L CB -0.441 41.710 42.059 0.153 0.000 0.891 195 L HN 0.237 nan 8.230 nan 0.000 0.431 196 L N -0.554 120.775 121.223 0.176 0.000 2.083 196 L HA -0.204 4.136 4.340 -0.000 0.000 0.209 196 L C 2.173 179.133 176.870 0.150 0.000 1.083 196 L CA 1.735 56.661 54.840 0.143 0.000 0.752 196 L CB -0.170 41.958 42.059 0.116 0.000 0.899 196 L HN 0.138 nan 8.230 nan 0.000 0.433 197 L N -1.677 119.664 121.223 0.197 0.000 2.249 197 L HA 0.002 4.342 4.340 -0.000 0.000 0.207 197 L C 2.443 179.520 176.870 0.346 0.000 1.090 197 L CA 0.901 55.855 54.840 0.190 0.000 0.802 197 L CB -0.482 41.571 42.059 -0.010 0.000 0.947 197 L HN 0.392 nan 8.230 nan 0.000 0.453 198 S N -0.402 115.555 115.700 0.429 0.000 2.427 198 S HA 0.012 4.482 4.470 -0.000 0.000 0.224 198 S C 1.909 176.732 174.600 0.373 0.000 1.047 198 S CA 0.163 58.630 58.200 0.444 0.000 0.953 198 S CB -0.469 62.903 63.200 0.286 0.000 0.824 198 S HN 0.240 nan 8.310 nan 0.000 0.502 199 L N 1.813 123.205 121.223 0.281 0.000 2.093 199 L HA 0.064 4.404 4.340 -0.000 0.000 0.208 199 L C -0.793 176.090 176.870 0.021 0.000 1.085 199 L CA 0.966 55.861 54.840 0.093 0.000 0.755 199 L CB -1.314 40.799 42.059 0.089 0.000 0.904 199 L HN 0.251 nan 8.230 nan 0.000 0.435 200 P HA -0.167 nan 4.420 nan 0.000 0.216 200 P C 1.862 179.169 177.300 0.012 0.000 1.150 200 P CA 1.250 64.374 63.100 0.040 0.000 0.843 200 P CB 0.065 31.797 31.700 0.053 0.000 0.787 201 V N -0.653 119.291 119.914 0.050 0.000 2.358 201 V HA -0.205 3.915 4.120 -0.000 0.000 0.246 201 V C 2.370 178.424 176.094 -0.066 0.000 1.047 201 V CA 1.446 63.749 62.300 0.004 0.000 1.035 201 V CB -1.252 30.636 31.823 0.107 0.000 0.658 201 V HN 0.058 nan 8.190 nan 0.000 0.452 202 L N 1.273 122.423 121.223 -0.121 0.000 1.989 202 L HA -0.161 4.179 4.340 -0.000 0.000 0.211 202 L C 2.476 179.210 176.870 -0.226 0.000 1.071 202 L CA 2.570 57.213 54.840 -0.327 0.000 0.749 202 L CB -1.023 40.552 42.059 -0.806 0.000 0.890 202 L HN 0.225 nan 8.230 nan 0.000 0.431 203 A N -0.615 122.113 122.820 -0.154 0.000 1.940 203 A HA -0.125 4.195 4.320 -0.000 0.000 0.219 203 A C 2.440 180.031 177.584 0.012 0.000 1.176 203 A CA 1.925 53.941 52.037 -0.035 0.000 0.631 203 A CB -1.185 17.857 19.000 0.070 0.000 0.814 203 A HN 0.634 nan 8.150 nan 0.000 0.446 204 A N -0.613 122.188 122.820 -0.031 0.000 1.930 204 A HA 0.152 4.472 4.320 -0.000 0.000 0.217 204 A C 2.370 179.923 177.584 -0.052 0.000 1.175 204 A CA 1.875 53.883 52.037 -0.049 0.000 0.627 204 A CB -1.223 17.729 19.000 -0.080 0.000 0.815 204 A HN 0.683 nan 8.150 nan 0.000 0.443 205 G N 0.573 109.345 108.800 -0.047 0.000 2.394 205 G HA2 -0.097 3.863 3.960 -0.000 0.000 0.215 205 G HA3 -0.097 3.863 3.960 -0.000 0.000 0.215 205 G C 1.494 176.493 174.900 0.164 0.000 1.165 205 G CA 1.055 46.173 45.100 0.031 0.000 0.784 205 G HN 0.774 nan 8.290 nan 0.000 0.535 206 I N -1.612 118.993 120.570 0.058 0.000 3.059 206 I HA 0.067 4.237 4.170 -0.000 0.000 0.270 206 I C 2.241 178.360 176.117 0.004 0.000 1.238 206 I CA 1.173 62.501 61.300 0.047 0.000 1.478 206 I CB -0.601 37.305 38.000 -0.157 0.000 1.097 206 I HN -0.097 nan 8.210 nan 0.000 0.455 207 T N 1.804 116.389 114.554 0.052 0.000 2.737 207 T HA -0.057 4.293 4.350 -0.000 0.000 0.265 207 T C 1.940 176.660 174.700 0.033 0.000 1.038 207 T CA 1.904 64.063 62.100 0.099 0.000 1.144 207 T CB -0.244 68.693 68.868 0.115 0.000 0.866 207 T HN 0.317 nan 8.240 nan 0.000 0.434 208 M N 0.445 120.005 119.600 -0.066 0.000 2.149 208 M HA -0.068 4.412 4.480 -0.000 0.000 0.261 208 M C 2.248 178.647 176.300 0.165 0.000 1.064 208 M CA 1.268 56.433 55.300 -0.225 0.000 1.102 208 M CB -0.470 31.657 32.600 -0.789 0.000 1.369 208 M HN 0.165 nan 8.290 nan 0.000 0.408 209 L N 0.404 121.842 121.223 0.358 0.000 2.083 209 L HA -0.130 4.210 4.340 -0.000 0.000 0.209 209 L C 2.086 179.032 176.870 0.127 0.000 1.083 209 L CA 1.600 56.637 54.840 0.327 0.000 0.752 209 L CB -0.644 41.490 42.059 0.126 0.000 0.899 209 L HN 0.258 nan 8.230 nan 0.000 0.433 210 L N -0.881 120.378 121.223 0.060 0.000 2.156 210 L HA -0.094 4.246 4.340 -0.000 0.000 0.208 210 L C 2.409 179.310 176.870 0.051 0.000 1.095 210 L CA 2.076 56.910 54.840 -0.010 0.000 0.770 210 L CB -0.756 41.267 42.059 -0.061 0.000 0.914 210 L HN 0.547 nan 8.230 nan 0.000 0.439 211 T N -5.048 109.568 114.554 0.105 0.000 2.985 211 T HA -0.069 4.281 4.350 -0.000 0.000 0.266 211 T C 1.535 176.303 174.700 0.114 0.000 1.076 211 T CA 0.953 63.128 62.100 0.125 0.000 1.135 211 T CB -0.464 68.518 68.868 0.190 0.000 0.890 211 T HN 0.234 nan 8.240 nan 0.000 0.480 212 D N 1.448 121.931 120.400 0.139 0.000 2.178 212 D HA 0.049 4.689 4.640 -0.000 0.000 0.202 212 D C 2.424 178.765 176.300 0.069 0.000 0.974 212 D CA 0.759 54.817 54.000 0.097 0.000 0.841 212 D CB -0.138 40.750 40.800 0.147 0.000 0.953 212 D HN 0.421 nan 8.370 nan 0.000 0.478 213 R N -0.178 120.361 120.500 0.066 0.000 2.153 213 R HA 0.131 4.471 4.340 -0.000 0.000 0.218 213 R C 0.959 177.283 176.300 0.040 0.000 1.072 213 R CA 0.792 56.918 56.100 0.043 0.000 0.990 213 R CB 0.181 30.494 30.300 0.021 0.000 0.889 213 R HN 0.179 nan 8.270 nan 0.000 0.452 214 N N -1.136 117.591 118.700 0.045 0.000 2.067 214 N HA 0.112 4.852 4.740 -0.000 0.000 0.227 214 N C 0.531 176.068 175.510 0.045 0.000 1.348 214 N CA 0.157 53.234 53.050 0.047 0.000 0.879 214 N CB 1.253 39.775 38.487 0.059 0.000 1.109 214 N HN 0.084 nan 8.380 nan 0.000 0.501 215 L N 0.582 121.831 121.223 0.043 0.000 3.016 215 L HA 0.286 4.626 4.340 -0.000 0.000 0.267 215 L C -0.197 176.679 176.870 0.009 0.000 1.182 215 L CA 0.003 54.863 54.840 0.033 0.000 0.997 215 L CB 0.149 42.236 42.059 0.046 0.000 1.354 215 L HN -0.056 nan 8.230 nan 0.000 0.569 216 N N 1.062 119.764 118.700 0.004 0.000 2.747 216 N HA -0.128 4.612 4.740 -0.000 0.000 0.249 216 N C 0.442 175.916 175.510 -0.061 0.000 1.107 216 N CA 1.288 54.326 53.050 -0.020 0.000 0.707 216 N CB -1.296 37.180 38.487 -0.018 0.000 1.054 216 N HN 0.529 nan 8.380 nan 0.000 0.555 217 T N -2.687 111.825 114.554 -0.069 0.000 2.816 217 T HA 0.536 4.886 4.350 -0.000 0.000 0.282 217 T C 1.157 175.727 174.700 -0.217 0.000 0.993 217 T CA 0.202 62.178 62.100 -0.206 0.000 0.994 217 T CB 1.632 70.369 68.868 -0.219 0.000 1.025 217 T HN 0.239 nan 8.240 nan 0.000 0.529 218 T N -1.523 112.799 114.554 -0.387 0.000 3.633 218 T HA 0.322 4.672 4.350 -0.000 0.000 0.278 218 T C 0.638 175.145 174.700 -0.322 0.000 0.991 218 T CA -0.660 61.287 62.100 -0.255 0.000 1.036 218 T CB -0.930 67.842 68.868 -0.159 0.000 1.148 218 T HN 0.477 nan 8.240 nan 0.000 0.501 219 F N 0.783 120.515 119.950 -0.363 0.000 2.161 219 F HA 0.079 4.606 4.527 -0.000 0.000 0.300 219 F C 1.166 176.651 175.800 -0.525 0.000 1.089 219 F CA 1.167 58.789 58.000 -0.630 0.000 1.282 219 F CB -0.265 38.007 39.000 -1.214 0.000 1.010 219 F HN 0.355 nan 8.300 nan 0.000 0.485 220 F N -1.545 118.527 119.950 0.204 0.000 2.735 220 F HA 0.236 4.763 4.527 -0.000 0.000 0.308 220 F C -0.148 175.695 175.800 0.071 0.000 1.112 220 F CA -0.963 57.117 58.000 0.134 0.000 1.235 220 F CB -0.065 39.005 39.000 0.116 0.000 1.027 220 F HN -0.271 nan 8.300 nan 0.000 0.528 221 D N 1.443 121.928 120.400 0.142 0.000 2.440 221 D HA 0.307 4.947 4.640 -0.000 0.000 0.239 221 D C -2.089 174.244 176.300 0.055 0.000 1.084 221 D CA -2.571 51.484 54.000 0.091 0.000 0.843 221 D CB 2.329 43.158 40.800 0.049 0.000 1.097 221 D HN -0.155 nan 8.370 nan 0.000 0.531 222 P HA -0.096 nan 4.420 nan 0.000 0.218 222 P C 0.998 178.314 177.300 0.026 0.000 1.146 222 P CA 0.991 64.120 63.100 0.048 0.000 0.813 222 P CB 0.192 31.924 31.700 0.053 0.000 0.778 223 A N -0.351 122.481 122.820 0.020 0.000 2.121 223 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 223 A C 2.153 179.732 177.584 -0.008 0.000 1.154 223 A CA 1.595 53.637 52.037 0.008 0.000 0.679 223 A CB -1.382 17.623 19.000 0.008 0.000 0.795 223 A HN 0.320 nan 8.150 nan 0.000 0.458 224 G N -2.443 106.345 108.800 -0.021 0.000 3.393 224 G HA2 0.411 4.371 3.960 -0.000 0.000 0.255 224 G HA3 0.411 4.371 3.960 -0.000 0.000 0.255 224 G C 0.967 175.840 174.900 -0.045 0.000 1.097 224 G CA 0.398 45.470 45.100 -0.046 0.000 0.780 224 G HN 1.506 nan 8.290 nan 0.000 0.540 225 G N -1.111 107.679 108.800 -0.017 0.000 2.175 225 G HA2 -0.027 3.933 3.960 -0.000 0.000 0.244 225 G HA3 -0.027 3.933 3.960 -0.000 0.000 0.244 225 G C 0.809 175.713 174.900 0.007 0.000 0.982 225 G CA 0.178 45.275 45.100 -0.005 0.000 0.641 225 G HN 0.984 nan 8.290 nan 0.000 0.527 226 G N -0.821 107.983 108.800 0.006 0.000 2.535 226 G HA2 0.508 4.468 3.960 -0.000 0.000 0.282 226 G HA3 0.508 4.468 3.960 -0.000 0.000 0.282 226 G C -0.730 174.243 174.900 0.121 0.000 1.350 226 G CA 0.573 45.703 45.100 0.050 0.000 1.039 226 G HN 0.531 nan 8.290 nan 0.000 0.509 227 D N -1.586 118.945 120.400 0.218 0.000 2.613 227 D HA 0.322 4.962 4.640 -0.000 0.000 0.230 227 D C -2.069 174.405 176.300 0.289 0.000 1.365 227 D CA -1.515 52.615 54.000 0.216 0.000 0.976 227 D CB 2.056 42.973 40.800 0.194 0.000 1.415 227 D HN -0.064 nan 8.370 nan 0.000 0.589 228 P HA -0.109 nan 4.420 nan 0.000 0.217 228 P C 1.506 178.802 177.300 -0.006 0.000 1.148 228 P CA 0.630 63.781 63.100 0.084 0.000 0.828 228 P CB 0.300 32.014 31.700 0.024 0.000 0.783 229 I N -1.581 119.010 120.570 0.034 0.000 2.546 229 I HA -0.125 4.045 4.170 -0.000 0.000 0.255 229 I C 2.115 178.255 176.117 0.038 0.000 1.163 229 I CA 0.880 62.159 61.300 -0.036 0.000 1.457 229 I CB -1.610 36.399 38.000 0.015 0.000 1.092 229 I HN 0.009 nan 8.210 nan 0.000 0.434 230 L N 0.650 122.003 121.223 0.218 0.000 2.042 230 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 230 L C 2.655 179.623 176.870 0.163 0.000 1.076 230 L CA 1.808 56.840 54.840 0.321 0.000 0.749 230 L CB -1.075 41.243 42.059 0.432 0.000 0.893 230 L HN 0.234 nan 8.230 nan 0.000 0.432 231 Y N 0.354 120.509 120.300 -0.241 0.000 2.069 231 Y HA -0.384 4.166 4.550 -0.000 0.000 0.278 231 Y C 2.599 178.319 175.900 -0.301 0.000 1.175 231 Y CA 2.481 60.174 58.100 -0.679 0.000 1.134 231 Y CB -0.324 37.387 38.460 -1.248 0.000 0.965 231 Y HN 0.394 nan 8.280 nan 0.000 0.498 232 Q N -1.109 118.503 119.800 -0.314 0.000 2.061 232 Q HA -0.268 4.072 4.340 -0.000 0.000 0.204 232 Q C 2.110 178.106 176.000 -0.007 0.000 0.984 232 Q CA 1.708 57.361 55.803 -0.250 0.000 0.846 232 Q CB -0.442 28.089 28.738 -0.345 0.000 0.902 232 Q HN 0.658 nan 8.270 nan 0.000 0.421 233 H N 0.522 119.650 119.070 0.097 0.000 2.321 233 H HA -0.067 4.489 4.556 -0.000 0.000 0.300 233 H C 2.305 177.613 175.328 -0.033 0.000 1.087 233 H CA 1.115 57.283 56.048 0.200 0.000 1.319 233 H CB -0.255 29.630 29.762 0.205 0.000 1.379 233 H HN 0.205 nan 8.280 nan 0.000 0.501 234 L N -0.342 120.871 121.223 -0.017 0.000 2.012 234 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 234 L C 2.576 179.315 176.870 -0.218 0.000 1.073 234 L CA 1.384 56.135 54.840 -0.148 0.000 0.748 234 L CB -0.611 41.345 42.059 -0.171 0.000 0.891 234 L HN 0.120 nan 8.230 nan 0.000 0.431 235 F N -0.442 119.156 119.950 -0.588 0.000 2.095 235 F HA -0.274 4.253 4.527 -0.000 0.000 0.298 235 F C 2.012 177.562 175.800 -0.416 0.000 1.104 235 F CA 1.723 59.328 58.000 -0.658 0.000 1.232 235 F CB -0.394 37.982 39.000 -1.039 0.000 0.987 235 F HN -0.003 nan 8.300 nan 0.000 0.475 236 W N -1.567 119.756 121.300 0.037 0.000 2.770 236 W HA -0.035 4.625 4.660 -0.000 0.000 0.256 236 W C 2.116 178.607 176.519 -0.047 0.000 1.291 236 W CA 0.166 57.526 57.345 0.025 0.000 1.396 236 W CB -0.431 29.172 29.460 0.240 0.000 1.114 236 W HN 0.071 nan 8.180 nan 0.000 0.637 237 F N -0.070 119.813 119.950 -0.112 0.000 2.216 237 F HA -0.208 4.319 4.527 -0.000 0.000 0.300 237 F C 2.104 177.834 175.800 -0.116 0.000 1.085 237 F CA 1.567 59.395 58.000 -0.287 0.000 1.326 237 F CB -0.485 38.180 39.000 -0.558 0.000 1.027 237 F HN -0.032 nan 8.300 nan 0.000 0.497 238 F N 0.219 120.038 119.950 -0.218 0.000 2.219 238 F HA 0.209 4.736 4.527 -0.000 0.000 0.294 238 F C 2.207 177.772 175.800 -0.392 0.000 1.086 238 F CA 1.486 59.298 58.000 -0.312 0.000 1.330 238 F CB -1.080 37.696 39.000 -0.372 0.000 1.047 238 F HN -0.125 nan 8.300 nan 0.000 0.495 239 G N -1.205 107.056 108.800 -0.897 0.000 2.448 239 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.218 239 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.218 239 G C 1.347 176.079 174.900 -0.281 0.000 1.135 239 G CA 0.985 45.548 45.100 -0.895 0.000 0.784 239 G HN 0.535 nan 8.290 nan 0.000 0.543 240 H N 1.563 120.628 119.070 -0.008 0.000 2.268 240 H HA 0.045 4.601 4.556 -0.000 0.000 0.304 240 H C 0.175 175.447 175.328 -0.093 0.000 1.064 240 H CA 1.402 57.504 56.048 0.091 0.000 1.316 240 H CB -0.559 29.336 29.762 0.222 0.000 1.386 240 H HN 0.179 nan 8.280 nan 0.000 0.496 241 P HA -0.223 nan 4.420 nan 0.000 0.218 241 P C 1.285 178.322 177.300 -0.438 0.000 1.154 241 P CA 2.220 65.027 63.100 -0.487 0.000 0.872 241 P CB -0.030 31.130 31.700 -0.901 0.000 0.790 242 E N -0.038 119.755 120.200 -0.679 0.000 2.086 242 E HA -0.206 4.144 4.350 -0.000 0.000 0.200 242 E C 1.681 177.995 176.600 -0.477 0.000 1.012 242 E CA 2.033 58.049 56.400 -0.639 0.000 0.812 242 E CB -1.287 27.836 29.700 -0.962 0.000 0.743 242 E HN 0.174 nan 8.360 nan 0.000 0.453 243 V N -1.507 118.072 119.914 -0.557 0.000 2.809 243 V HA -0.131 3.989 4.120 -0.000 0.000 0.256 243 V C 1.878 177.572 176.094 -0.667 0.000 1.080 243 V CA 1.514 63.463 62.300 -0.585 0.000 1.102 243 V CB -1.095 30.355 31.823 -0.622 0.000 0.705 243 V HN 0.213 nan 8.190 nan 0.000 0.475 244 Y N 0.408 120.515 120.300 -0.323 0.000 2.314 244 Y HA 0.112 4.662 4.550 -0.000 0.000 0.293 244 Y C 2.283 178.056 175.900 -0.211 0.000 1.129 244 Y CA 1.586 59.561 58.100 -0.209 0.000 1.201 244 Y CB -0.494 37.895 38.460 -0.118 0.000 0.999 244 Y HN 0.207 nan 8.280 nan 0.000 0.541 245 I N -0.532 119.957 120.570 -0.136 0.000 2.252 245 I HA -0.288 3.882 4.170 -0.000 0.000 0.245 245 I C 1.902 177.916 176.117 -0.172 0.000 1.102 245 I CA 1.223 62.449 61.300 -0.123 0.000 1.385 245 I CB -0.325 37.602 38.000 -0.123 0.000 1.064 245 I HN 0.158 nan 8.210 nan 0.000 0.414 246 L N -0.445 120.631 121.223 -0.245 0.000 2.275 246 L HA -0.168 4.172 4.340 -0.000 0.000 0.215 246 L C 2.218 178.959 176.870 -0.216 0.000 1.119 246 L CA 0.897 55.599 54.840 -0.229 0.000 0.790 246 L CB -0.236 41.650 42.059 -0.288 0.000 0.919 246 L HN 0.283 nan 8.230 nan 0.000 0.443 247 I N -1.427 118.965 120.570 -0.298 0.000 3.790 247 I HA -0.027 4.143 4.170 -0.000 0.000 0.305 247 I C 1.947 177.702 176.117 -0.604 0.000 1.253 247 I CA 0.751 61.797 61.300 -0.424 0.000 1.355 247 I CB 0.270 37.934 38.000 -0.559 0.000 1.137 247 I HN -0.000 nan 8.210 nan 0.000 0.435 248 L N 1.382 122.346 121.223 -0.433 0.000 2.017 248 L HA -0.096 4.244 4.340 -0.000 0.000 0.208 248 L C -0.506 176.346 176.870 -0.031 0.000 1.073 248 L CA 1.570 56.261 54.840 -0.248 0.000 0.745 248 L CB -1.573 40.461 42.059 -0.042 0.000 0.894 248 L HN 0.189 nan 8.230 nan 0.000 0.432 249 P HA -0.091 nan 4.420 nan 0.000 0.223 249 P C 1.450 178.852 177.300 0.170 0.000 1.151 249 P CA 1.409 64.559 63.100 0.083 0.000 0.787 249 P CB -0.163 31.569 31.700 0.052 0.000 0.788 250 G N -1.075 107.741 108.800 0.027 0.000 2.402 250 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 250 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 250 G C 1.461 176.354 174.900 -0.011 0.000 1.162 250 G CA 0.184 45.269 45.100 -0.025 0.000 0.777 250 G HN 0.218 nan 8.290 nan 0.000 0.539 251 F N 1.293 121.246 119.950 0.005 0.000 2.091 251 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 251 F C 3.045 178.976 175.800 0.218 0.000 1.103 251 F CA 0.467 58.548 58.000 0.134 0.000 1.228 251 F CB -0.263 38.920 39.000 0.305 0.000 0.984 251 F HN 0.270 nan 8.300 nan 0.000 0.477 252 G N -0.020 109.066 108.800 0.477 0.000 2.418 252 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.217 252 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.217 252 G C 1.584 176.778 174.900 0.490 0.000 1.158 252 G CA 0.681 46.100 45.100 0.531 0.000 0.771 252 G HN 0.231 nan 8.290 nan 0.000 0.545 253 M N 0.080 119.850 119.600 0.284 0.000 2.117 253 M HA 0.023 4.503 4.480 -0.000 0.000 0.262 253 M C 2.447 178.762 176.300 0.025 0.000 1.065 253 M CA 0.943 56.289 55.300 0.077 0.000 1.114 253 M CB -0.256 32.267 32.600 -0.128 0.000 1.361 253 M HN 0.112 nan 8.290 nan 0.000 0.408 254 I N -0.193 120.278 120.570 -0.165 0.000 2.252 254 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 254 I C 2.422 178.389 176.117 -0.250 0.000 1.102 254 I CA 1.388 62.412 61.300 -0.461 0.000 1.385 254 I CB -1.243 36.052 38.000 -1.175 0.000 1.064 254 I HN 0.233 nan 8.210 nan 0.000 0.414 255 S N -0.280 115.492 115.700 0.121 0.000 2.374 255 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 255 S C 1.891 176.650 174.600 0.264 0.000 1.037 255 S CA 1.194 59.625 58.200 0.385 0.000 1.024 255 S CB -0.517 63.020 63.200 0.563 0.000 0.861 255 S HN 0.498 nan 8.310 nan 0.000 0.456 256 H N 0.292 119.475 119.070 0.188 0.000 2.353 256 H HA 0.019 4.575 4.556 -0.000 0.000 0.300 256 H C 2.179 177.489 175.328 -0.029 0.000 1.090 256 H CA 1.489 57.636 56.048 0.165 0.000 1.327 256 H CB -0.192 29.758 29.762 0.313 0.000 1.383 256 H HN 0.354 nan 8.280 nan 0.000 0.508 257 I N 0.221 120.763 120.570 -0.045 0.000 2.202 257 I HA -0.221 3.949 4.170 -0.000 0.000 0.242 257 I C 2.571 178.694 176.117 0.010 0.000 1.091 257 I CA 0.613 61.804 61.300 -0.181 0.000 1.368 257 I CB -0.203 37.663 38.000 -0.224 0.000 1.058 257 I HN -0.013 nan 8.210 nan 0.000 0.410 258 V N 0.541 120.439 119.914 -0.028 0.000 2.287 258 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 258 V C 2.506 178.635 176.094 0.058 0.000 1.053 258 V CA 2.596 64.901 62.300 0.009 0.000 1.027 258 V CB -1.097 30.716 31.823 -0.016 0.000 0.646 258 V HN 0.481 nan 8.190 nan 0.000 0.447 259 T N -1.309 113.293 114.554 0.079 0.000 2.737 259 T HA -0.217 4.133 4.350 -0.000 0.000 0.265 259 T C 1.732 176.431 174.700 -0.002 0.000 1.038 259 T CA 2.038 64.177 62.100 0.066 0.000 1.144 259 T CB -0.372 68.543 68.868 0.078 0.000 0.866 259 T HN 0.567 nan 8.240 nan 0.000 0.434 260 Y N 0.608 120.807 120.300 -0.170 0.000 2.114 260 Y HA -0.197 4.353 4.550 -0.000 0.000 0.284 260 Y C 1.675 177.312 175.900 -0.437 0.000 1.143 260 Y CA 1.403 59.296 58.100 -0.345 0.000 1.135 260 Y CB -0.244 37.900 38.460 -0.526 0.000 0.980 260 Y HN 0.254 nan 8.280 nan 0.000 0.499 261 Y N -1.078 119.226 120.300 0.007 0.000 2.490 261 Y HA 0.064 4.614 4.550 -0.000 0.000 0.281 261 Y C 2.101 177.899 175.900 -0.170 0.000 1.174 261 Y CA 0.564 58.610 58.100 -0.090 0.000 1.295 261 Y CB -0.012 38.389 38.460 -0.099 0.000 1.062 261 Y HN 0.014 nan 8.280 nan 0.000 0.522 262 S N -0.852 114.823 115.700 -0.040 0.000 2.548 262 S HA 0.169 4.639 4.470 -0.000 0.000 0.215 262 S C 1.785 176.321 174.600 -0.107 0.000 0.976 262 S CA 0.668 58.824 58.200 -0.073 0.000 0.908 262 S CB -0.145 63.038 63.200 -0.028 0.000 0.781 262 S HN 0.685 nan 8.310 nan 0.000 0.519 263 G N 1.868 110.560 108.800 -0.179 0.000 2.147 263 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.244 263 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.244 263 G C -0.159 174.649 174.900 -0.153 0.000 1.005 263 G CA 0.000 44.976 45.100 -0.207 0.000 0.713 263 G HN 0.279 nan 8.290 nan 0.000 0.515 264 K N -0.103 120.225 120.400 -0.120 0.000 2.123 264 K HA 0.469 4.789 4.320 -0.000 0.000 0.248 264 K C 1.350 177.917 176.600 -0.056 0.000 0.969 264 K CA -0.405 55.849 56.287 -0.055 0.000 0.882 264 K CB 1.362 33.866 32.500 0.006 0.000 1.080 264 K HN 0.436 nan 8.250 nan 0.000 0.441 265 K N -0.184 120.202 120.400 -0.024 0.000 2.400 265 K HA 0.010 4.330 4.320 -0.000 0.000 0.194 265 K C -0.041 176.573 176.600 0.022 0.000 1.033 265 K CA 0.510 56.791 56.287 -0.010 0.000 1.021 265 K CB 0.282 32.778 32.500 -0.007 0.000 0.808 265 K HN 0.656 nan 8.250 nan 0.000 0.505 266 E N 0.346 120.570 120.200 0.040 0.000 2.388 266 E HA 0.299 4.649 4.350 -0.000 0.000 0.280 266 E C -3.082 173.587 176.600 0.116 0.000 1.019 266 E CA -2.256 54.186 56.400 0.069 0.000 0.806 266 E CB 1.539 31.268 29.700 0.049 0.000 1.246 266 E HN -0.170 nan 8.360 nan 0.000 0.443 267 P HA 0.098 nan 4.420 nan 0.000 0.274 267 P C -0.683 176.768 177.300 0.252 0.000 1.237 267 P CA -0.366 62.873 63.100 0.231 0.000 0.793 267 P CB 0.501 32.355 31.700 0.257 0.000 0.977 268 F N 1.214 121.239 119.950 0.125 0.000 2.484 268 F HA 0.391 4.918 4.527 -0.000 0.000 0.360 268 F C 1.264 177.115 175.800 0.084 0.000 1.101 268 F CA 1.157 59.217 58.000 0.100 0.000 1.251 268 F CB 0.016 39.074 39.000 0.096 0.000 1.132 268 F HN 0.692 nan 8.300 nan 0.000 0.570 269 G N 5.844 114.335 108.800 -0.515 0.000 2.370 269 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.295 269 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.295 269 G C 0.234 175.104 174.900 -0.049 0.000 1.045 269 G CA 0.567 45.446 45.100 -0.368 0.000 1.199 269 G HN 1.036 nan 8.290 nan 0.000 0.513 270 Y N 0.634 120.869 120.300 -0.107 0.000 2.128 270 Y HA -0.205 4.345 4.550 -0.000 0.000 0.284 270 Y C 2.628 178.495 175.900 -0.054 0.000 1.154 270 Y CA 2.606 60.689 58.100 -0.028 0.000 1.149 270 Y CB -0.054 38.409 38.460 0.005 0.000 0.976 270 Y HN 0.414 nan 8.280 nan 0.000 0.505 271 M N -0.209 119.418 119.600 0.045 0.000 2.254 271 M HA -0.047 4.433 4.480 -0.000 0.000 0.265 271 M C 2.441 178.676 176.300 -0.110 0.000 1.066 271 M CA 1.298 56.547 55.300 -0.085 0.000 1.123 271 M CB -1.881 30.700 32.600 -0.030 0.000 1.388 271 M HN 0.484 nan 8.290 nan 0.000 0.425 272 G N 0.433 109.192 108.800 -0.069 0.000 2.442 272 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.219 272 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.219 272 G C 1.545 176.490 174.900 0.076 0.000 1.141 272 G CA 0.670 45.786 45.100 0.026 0.000 0.763 272 G HN 0.279 nan 8.290 nan 0.000 0.554 273 M N 0.401 119.951 119.600 -0.082 0.000 2.067 273 M HA -0.032 4.448 4.480 -0.000 0.000 0.260 273 M C 2.814 178.978 176.300 -0.227 0.000 1.069 273 M CA 0.792 56.002 55.300 -0.151 0.000 1.117 273 M CB -1.378 31.128 32.600 -0.157 0.000 1.334 273 M HN 0.113 nan 8.290 nan 0.000 0.407 274 V N -0.294 119.353 119.914 -0.445 0.000 2.231 274 V HA -0.312 3.808 4.120 -0.000 0.000 0.250 274 V C 2.109 178.002 176.094 -0.334 0.000 1.058 274 V CA 2.499 64.409 62.300 -0.651 0.000 1.022 274 V CB -1.140 30.037 31.823 -1.077 0.000 0.640 274 V HN 0.670 nan 8.190 nan 0.000 0.445 275 W N 0.891 121.998 121.300 -0.323 0.000 2.318 275 W HA -0.274 4.386 4.660 -0.000 0.000 0.313 275 W C 2.431 178.876 176.519 -0.123 0.000 1.221 275 W CA 2.606 59.837 57.345 -0.191 0.000 1.266 275 W CB -0.455 28.913 29.460 -0.154 0.000 1.150 275 W HN 0.222 nan 8.180 nan 0.000 0.496 276 A N 0.031 122.737 122.820 -0.189 0.000 1.898 276 A HA -0.171 4.149 4.320 -0.000 0.000 0.216 276 A C 2.061 179.461 177.584 -0.306 0.000 1.181 276 A CA 1.916 53.713 52.037 -0.399 0.000 0.620 276 A CB -0.858 18.075 19.000 -0.111 0.000 0.819 276 A HN 0.407 nan 8.150 nan 0.000 0.442 277 M N -1.176 118.332 119.600 -0.154 0.000 2.117 277 M HA -0.136 4.344 4.480 -0.000 0.000 0.262 277 M C 2.422 178.693 176.300 -0.049 0.000 1.065 277 M CA 1.520 56.812 55.300 -0.012 0.000 1.114 277 M CB -0.428 32.212 32.600 0.066 0.000 1.361 277 M HN 0.427 nan 8.290 nan 0.000 0.408 278 M N -0.662 118.859 119.600 -0.133 0.000 2.080 278 M HA -0.206 4.274 4.480 -0.000 0.000 0.260 278 M C 2.262 178.496 176.300 -0.110 0.000 1.068 278 M CA 1.635 56.881 55.300 -0.090 0.000 1.109 278 M CB -0.512 32.019 32.600 -0.115 0.000 1.342 278 M HN 0.221 nan 8.290 nan 0.000 0.405 279 S N 0.656 116.149 115.700 -0.345 0.000 2.368 279 S HA -0.047 4.423 4.470 -0.000 0.000 0.224 279 S C 1.779 176.293 174.600 -0.144 0.000 1.029 279 S CA 1.040 59.036 58.200 -0.341 0.000 0.988 279 S CB -0.310 62.394 63.200 -0.828 0.000 0.838 279 S HN 0.356 nan 8.310 nan 0.000 0.462 280 I N 1.455 121.926 120.570 -0.166 0.000 2.286 280 I HA -0.130 4.040 4.170 -0.000 0.000 0.248 280 I C 2.610 178.635 176.117 -0.154 0.000 1.115 280 I CA 1.128 62.343 61.300 -0.141 0.000 1.392 280 I CB -0.671 37.335 38.000 0.010 0.000 1.065 280 I HN 0.361 nan 8.210 nan 0.000 0.418 281 G N 0.444 109.239 108.800 -0.009 0.000 2.404 281 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.215 281 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.215 281 G C 1.592 176.601 174.900 0.182 0.000 1.174 281 G CA 0.511 45.657 45.100 0.077 0.000 0.780 281 G HN 0.330 nan 8.290 nan 0.000 0.537 282 F N 1.447 121.431 119.950 0.057 0.000 2.046 282 F HA -0.020 4.507 4.527 -0.000 0.000 0.297 282 F C 2.480 178.342 175.800 0.105 0.000 1.123 282 F CA 1.397 59.467 58.000 0.117 0.000 1.199 282 F CB -0.365 38.656 39.000 0.034 0.000 0.972 282 F HN 0.037 nan 8.300 nan 0.000 0.474 283 L N 0.178 121.435 121.223 0.057 0.000 2.187 283 L HA -0.165 4.175 4.340 -0.000 0.000 0.213 283 L C 2.689 179.432 176.870 -0.212 0.000 1.100 283 L CA 1.142 55.919 54.840 -0.105 0.000 0.765 283 L CB -1.549 40.488 42.059 -0.036 0.000 0.904 283 L HN 0.386 nan 8.230 nan 0.000 0.437 284 G N -0.864 107.771 108.800 -0.274 0.000 2.498 284 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.219 284 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.219 284 G C 1.242 176.012 174.900 -0.217 0.000 1.119 284 G CA 0.242 45.181 45.100 -0.269 0.000 0.766 284 G HN 0.274 nan 8.290 nan 0.000 0.552 285 F N 0.287 120.130 119.950 -0.179 0.000 2.754 285 F HA 0.280 4.807 4.527 -0.000 0.000 0.297 285 F C 1.941 177.726 175.800 -0.024 0.000 1.122 285 F CA -0.043 57.826 58.000 -0.219 0.000 1.400 285 F CB 0.348 39.189 39.000 -0.266 0.000 1.117 285 F HN 0.217 nan 8.300 nan 0.000 0.587 286 I N -1.995 118.655 120.570 0.133 0.000 3.762 286 I HA 0.246 4.416 4.170 -0.000 0.000 0.333 286 I C 0.395 176.665 176.117 0.254 0.000 1.566 286 I CA 0.026 61.503 61.300 0.295 0.000 1.129 286 I CB 0.120 38.181 38.000 0.102 0.000 1.218 286 I HN -0.103 nan 8.210 nan 0.000 0.456 287 V N -3.534 116.513 119.914 0.222 0.000 3.337 287 V HA 0.222 4.342 4.120 -0.000 0.000 0.307 287 V C 1.562 177.482 176.094 -0.290 0.000 1.505 287 V CA -0.288 62.051 62.300 0.065 0.000 1.072 287 V CB -0.968 30.773 31.823 -0.137 0.000 0.929 287 V HN 0.680 nan 8.190 nan 0.000 0.455 288 W N 2.109 123.336 121.300 -0.122 0.000 2.350 288 W HA 0.085 4.745 4.660 -0.000 0.000 0.289 288 W C 1.834 178.040 176.519 -0.523 0.000 1.215 288 W CA 1.753 58.954 57.345 -0.239 0.000 1.236 288 W CB -0.932 28.579 29.460 0.086 0.000 1.130 288 W HN 0.238 nan 8.180 nan 0.000 0.541 289 A N 1.853 123.776 122.820 -1.495 0.000 2.239 289 A HA -0.142 4.178 4.320 -0.000 0.000 0.209 289 A C 1.753 178.528 177.584 -1.347 0.000 1.171 289 A CA 1.091 52.241 52.037 -1.478 0.000 0.768 289 A CB -1.868 15.901 19.000 -2.052 0.000 0.790 289 A HN 0.790 nan 8.150 nan 0.000 0.478 290 H N -2.852 115.490 119.070 -1.214 0.000 2.567 290 H HA 0.010 4.566 4.556 -0.000 0.000 0.276 290 H C 0.519 175.000 175.328 -1.412 0.000 1.016 290 H CA 0.838 55.870 56.048 -1.693 0.000 1.186 290 H CB -0.300 28.907 29.762 -0.925 0.000 1.351 290 H HN 0.659 nan 8.280 nan 0.000 0.605 291 H N 0.542 119.151 119.070 -0.768 0.000 2.517 291 H HA 0.244 4.800 4.556 -0.000 0.000 0.282 291 H C 0.419 175.409 175.328 -0.563 0.000 1.023 291 H CA 0.147 55.739 56.048 -0.758 0.000 1.169 291 H CB 0.488 29.208 29.762 -1.737 0.000 1.454 291 H HN 0.488 nan 8.280 nan 0.000 0.556 292 M N -0.470 118.799 119.600 -0.552 0.000 3.262 292 M HA 0.115 4.595 4.480 -0.000 0.000 0.450 292 M C -0.007 176.144 176.300 -0.248 0.000 1.524 292 M CA -0.135 54.959 55.300 -0.344 0.000 0.770 292 M CB 0.523 32.939 32.600 -0.308 0.000 1.459 292 M HN -0.084 nan 8.290 nan 0.000 0.517 293 F N 0.833 120.604 119.950 -0.299 0.000 2.604 293 F HA -0.006 4.521 4.527 -0.000 0.000 0.298 293 F C 2.522 178.211 175.800 -0.185 0.000 1.131 293 F CA 1.302 59.176 58.000 -0.210 0.000 1.457 293 F CB -0.439 38.457 39.000 -0.174 0.000 1.095 293 F HN 0.266 nan 8.300 nan 0.000 0.574 294 T N -3.519 110.972 114.554 -0.104 0.000 3.069 294 T HA 0.102 4.452 4.350 -0.000 0.000 0.252 294 T C 1.672 176.364 174.700 -0.013 0.000 1.053 294 T CA 0.721 62.792 62.100 -0.047 0.000 0.964 294 T CB -0.708 68.139 68.868 -0.036 0.000 1.005 294 T HN 0.108 nan 8.240 nan 0.000 0.532 295 V N -1.360 118.538 119.914 -0.027 0.000 3.217 295 V HA 0.522 4.642 4.120 -0.000 0.000 0.264 295 V C 1.561 177.670 176.094 0.023 0.000 1.135 295 V CA 0.573 62.870 62.300 -0.004 0.000 1.142 295 V CB -1.195 30.605 31.823 -0.040 0.000 0.754 295 V HN 0.792 nan 8.190 nan 0.000 0.484 296 G N 0.045 108.865 108.800 0.033 0.000 2.226 296 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.176 296 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.176 296 G C -0.274 174.663 174.900 0.061 0.000 1.042 296 G CA 0.078 45.205 45.100 0.046 0.000 0.732 296 G HN 0.488 nan 8.290 nan 0.000 0.494 297 M N 0.650 120.293 119.600 0.071 0.000 2.247 297 M HA 0.310 4.790 4.480 -0.000 0.000 0.326 297 M C 0.302 176.656 176.300 0.090 0.000 1.134 297 M CA -0.596 54.763 55.300 0.097 0.000 1.136 297 M CB 0.307 32.980 32.600 0.121 0.000 1.454 297 M HN 0.091 nan 8.290 nan 0.000 0.467 298 D N 1.055 121.512 120.400 0.095 0.000 2.449 298 D HA -0.054 4.586 4.640 -0.000 0.000 0.236 298 D C 0.947 177.296 176.300 0.081 0.000 1.149 298 D CA 0.012 54.059 54.000 0.078 0.000 0.878 298 D CB 0.876 41.722 40.800 0.077 0.000 1.198 298 D HN 0.377 nan 8.370 nan 0.000 0.446 299 V N 2.118 122.064 119.914 0.054 0.000 2.332 299 V HA -0.266 3.854 4.120 -0.000 0.000 0.248 299 V C 1.285 177.410 176.094 0.053 0.000 1.055 299 V CA 1.974 64.297 62.300 0.038 0.000 1.038 299 V CB -0.124 31.708 31.823 0.014 0.000 0.651 299 V HN 0.435 nan 8.190 nan 0.000 0.450 300 D N -0.627 119.810 120.400 0.061 0.000 2.117 300 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 300 D C 2.241 178.614 176.300 0.122 0.000 0.987 300 D CA 1.884 55.926 54.000 0.070 0.000 0.829 300 D CB -0.560 40.272 40.800 0.052 0.000 0.961 300 D HN 0.453 nan 8.370 nan 0.000 0.460 301 T N 0.893 115.539 114.554 0.153 0.000 2.708 301 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 301 T C 1.986 176.925 174.700 0.399 0.000 1.037 301 T CA 0.980 63.239 62.100 0.265 0.000 1.146 301 T CB -0.040 68.982 68.868 0.257 0.000 0.865 301 T HN 0.153 nan 8.240 nan 0.000 0.435 302 R N 0.817 121.485 120.500 0.280 0.000 2.120 302 R HA 0.043 4.383 4.340 -0.000 0.000 0.234 302 R C 2.752 179.124 176.300 0.120 0.000 1.123 302 R CA 1.138 57.394 56.100 0.259 0.000 0.975 302 R CB -0.390 29.948 30.300 0.063 0.000 0.866 302 R HN 0.355 nan 8.270 nan 0.000 0.446 303 A N 0.645 123.508 122.820 0.072 0.000 1.873 303 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 303 A C 1.992 179.590 177.584 0.023 0.000 1.186 303 A CA 1.189 53.235 52.037 0.015 0.000 0.616 303 A CB -0.757 18.253 19.000 0.016 0.000 0.823 303 A HN 0.459 nan 8.150 nan 0.000 0.442 304 Y N -0.496 119.788 120.300 -0.026 0.000 2.128 304 Y HA -0.243 4.307 4.550 -0.000 0.000 0.284 304 Y C 1.890 177.686 175.900 -0.172 0.000 1.154 304 Y CA 2.000 60.016 58.100 -0.140 0.000 1.149 304 Y CB -0.583 37.719 38.460 -0.264 0.000 0.976 304 Y HN 0.244 nan 8.280 nan 0.000 0.505 305 F N 0.069 119.923 119.950 -0.160 0.000 2.269 305 F HA -0.176 4.351 4.527 -0.000 0.000 0.301 305 F C 2.452 178.227 175.800 -0.042 0.000 1.082 305 F CA 1.866 59.753 58.000 -0.188 0.000 1.360 305 F CB -0.871 38.145 39.000 0.027 0.000 1.041 305 F HN 0.024 nan 8.300 nan 0.000 0.512 306 T N -1.137 113.512 114.554 0.158 0.000 2.701 306 T HA -0.147 4.203 4.350 -0.000 0.000 0.263 306 T C 2.281 176.944 174.700 -0.061 0.000 1.040 306 T CA 1.730 63.874 62.100 0.073 0.000 1.147 306 T CB -0.407 68.395 68.868 -0.110 0.000 0.865 306 T HN 0.152 nan 8.240 nan 0.000 0.426 307 S N 1.631 117.241 115.700 -0.150 0.000 2.356 307 S HA -0.057 4.413 4.470 -0.000 0.000 0.223 307 S C 2.551 177.030 174.600 -0.202 0.000 1.032 307 S CA 1.076 59.181 58.200 -0.158 0.000 1.005 307 S CB -0.613 62.498 63.200 -0.149 0.000 0.867 307 S HN 0.570 nan 8.310 nan 0.000 0.449 308 A N 1.147 123.723 122.820 -0.407 0.000 1.969 308 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 308 A C 2.280 179.751 177.584 -0.189 0.000 1.169 308 A CA 1.853 53.668 52.037 -0.370 0.000 0.635 308 A CB -1.120 17.445 19.000 -0.724 0.000 0.810 308 A HN 0.478 nan 8.150 nan 0.000 0.445 309 T N 0.051 114.525 114.554 -0.133 0.000 2.777 309 T HA -0.099 4.251 4.350 -0.000 0.000 0.266 309 T C 1.906 176.583 174.700 -0.039 0.000 1.040 309 T CA 1.676 63.758 62.100 -0.030 0.000 1.141 309 T CB -0.292 68.618 68.868 0.070 0.000 0.868 309 T HN 0.462 nan 8.240 nan 0.000 0.444 310 M N 0.296 119.868 119.600 -0.046 0.000 2.213 310 M HA 0.050 4.530 4.480 -0.000 0.000 0.263 310 M C 2.093 178.389 176.300 -0.007 0.000 1.062 310 M CA 1.350 56.632 55.300 -0.029 0.000 1.105 310 M CB -0.543 32.036 32.600 -0.034 0.000 1.385 310 M HN 0.196 nan 8.290 nan 0.000 0.417 311 I N 0.488 121.050 120.570 -0.014 0.000 2.454 311 I HA -0.268 3.902 4.170 -0.000 0.000 0.254 311 I C 2.011 178.146 176.117 0.029 0.000 1.156 311 I CA 1.046 62.353 61.300 0.013 0.000 1.433 311 I CB -0.238 37.767 38.000 0.009 0.000 1.082 311 I HN 0.275 nan 8.210 nan 0.000 0.432 312 I N 0.719 121.297 120.570 0.013 0.000 2.700 312 I HA -0.234 3.936 4.170 -0.000 0.000 0.261 312 I C 2.638 178.795 176.117 0.067 0.000 1.219 312 I CA 0.820 62.133 61.300 0.021 0.000 1.463 312 I CB -0.603 37.404 38.000 0.012 0.000 1.092 312 I HN 0.176 nan 8.210 nan 0.000 0.452 313 A N 1.379 124.239 122.820 0.067 0.000 2.070 313 A HA -0.119 4.201 4.320 -0.000 0.000 0.220 313 A C 2.251 179.889 177.584 0.089 0.000 1.159 313 A CA 1.177 53.262 52.037 0.079 0.000 0.656 313 A CB -0.541 18.491 19.000 0.054 0.000 0.800 313 A HN 0.397 nan 8.150 nan 0.000 0.453 314 I N 0.486 121.114 120.570 0.097 0.000 2.090 314 I HA -0.145 4.025 4.170 -0.000 0.000 0.236 314 I C -0.275 175.947 176.117 0.175 0.000 1.064 314 I CA 1.436 62.825 61.300 0.148 0.000 1.324 314 I CB -1.280 36.826 38.000 0.177 0.000 1.044 314 I HN 0.216 nan 8.210 nan 0.000 0.399 315 P HA -0.121 nan 4.420 nan 0.000 0.218 315 P C 1.519 178.812 177.300 -0.012 0.000 1.149 315 P CA 1.619 64.710 63.100 -0.015 0.000 0.817 315 P CB -0.271 31.186 31.700 -0.405 0.000 0.785 316 T N -0.394 114.175 114.554 0.024 0.000 2.777 316 T HA -0.048 4.302 4.350 -0.000 0.000 0.266 316 T C 2.177 176.822 174.700 -0.092 0.000 1.040 316 T CA 1.709 63.819 62.100 0.017 0.000 1.141 316 T CB -1.160 67.841 68.868 0.222 0.000 0.868 316 T HN 0.185 nan 8.240 nan 0.000 0.444 317 G N 1.316 110.093 108.800 -0.038 0.000 2.418 317 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.217 317 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.217 317 G C 1.700 176.529 174.900 -0.118 0.000 1.158 317 G CA 0.842 45.848 45.100 -0.156 0.000 0.771 317 G HN 0.422 nan 8.290 nan 0.000 0.545 318 V N 0.946 120.904 119.914 0.074 0.000 2.324 318 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 318 V C 2.826 178.845 176.094 -0.125 0.000 1.060 318 V CA 2.479 64.840 62.300 0.101 0.000 1.042 318 V CB -0.429 31.528 31.823 0.224 0.000 0.650 318 V HN 0.432 nan 8.190 nan 0.000 0.450 319 K N -0.506 119.665 120.400 -0.381 0.000 2.062 319 K HA -0.074 4.246 4.320 -0.000 0.000 0.205 319 K C 2.094 178.022 176.600 -1.120 0.000 1.051 319 K CA 1.211 56.971 56.287 -0.879 0.000 0.941 319 K CB -0.468 31.288 32.500 -1.239 0.000 0.719 319 K HN 0.331 nan 8.250 nan 0.000 0.440 320 V N 1.551 121.016 119.914 -0.747 0.000 2.231 320 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 320 V C 2.114 178.091 176.094 -0.196 0.000 1.054 320 V CA 1.983 64.079 62.300 -0.340 0.000 1.015 320 V CB -0.653 30.960 31.823 -0.349 0.000 0.638 320 V HN 0.220 nan 8.190 nan 0.000 0.444 321 F N 0.385 120.305 119.950 -0.050 0.000 2.216 321 F HA -0.162 4.365 4.527 -0.000 0.000 0.300 321 F C 2.640 178.374 175.800 -0.109 0.000 1.085 321 F CA 1.214 59.184 58.000 -0.050 0.000 1.326 321 F CB -0.462 38.507 39.000 -0.052 0.000 1.027 321 F HN 0.091 nan 8.300 nan 0.000 0.497 322 S N -0.754 114.957 115.700 0.017 0.000 2.402 322 S HA -0.167 4.303 4.470 -0.000 0.000 0.229 322 S C 1.650 176.307 174.600 0.095 0.000 1.021 322 S CA 0.850 59.082 58.200 0.053 0.000 0.974 322 S CB -0.382 62.876 63.200 0.097 0.000 0.800 322 S HN 0.397 nan 8.310 nan 0.000 0.484 323 W N 1.840 123.194 121.300 0.091 0.000 2.381 323 W HA 0.117 4.777 4.660 -0.000 0.000 0.301 323 W C 1.952 178.510 176.519 0.065 0.000 1.205 323 W CA 0.149 57.543 57.345 0.081 0.000 1.285 323 W CB -1.273 28.233 29.460 0.077 0.000 1.133 323 W HN 0.302 nan 8.180 nan 0.000 0.521 324 L N 0.129 121.524 121.223 0.286 0.000 2.083 324 L HA -0.160 4.180 4.340 -0.000 0.000 0.209 324 L C 2.575 179.490 176.870 0.075 0.000 1.083 324 L CA 1.494 56.444 54.840 0.183 0.000 0.752 324 L CB -1.234 40.943 42.059 0.196 0.000 0.899 324 L HN -0.137 nan 8.230 nan 0.000 0.433 325 A N -0.725 122.057 122.820 -0.063 0.000 2.066 325 A HA -0.114 4.206 4.320 -0.000 0.000 0.218 325 A C 2.303 179.863 177.584 -0.040 0.000 1.157 325 A CA 1.738 53.602 52.037 -0.288 0.000 0.670 325 A CB -0.601 17.736 19.000 -1.105 0.000 0.804 325 A HN 0.367 nan 8.150 nan 0.000 0.453 326 T N 0.747 115.375 114.554 0.123 0.000 2.812 326 T HA -0.066 4.284 4.350 -0.000 0.000 0.264 326 T C 1.792 176.570 174.700 0.130 0.000 1.042 326 T CA 1.376 63.595 62.100 0.199 0.000 1.140 326 T CB -0.419 68.605 68.868 0.260 0.000 0.870 326 T HN 0.408 nan 8.240 nan 0.000 0.445 327 L N 0.398 121.691 121.223 0.116 0.000 2.043 327 L HA -0.102 4.238 4.340 -0.000 0.000 0.212 327 L C 1.483 178.397 176.870 0.073 0.000 1.075 327 L CA 0.926 55.803 54.840 0.062 0.000 0.752 327 L CB -0.986 41.106 42.059 0.054 0.000 0.891 327 L HN 0.360 nan 8.230 nan 0.000 0.432 328 H N 0.710 119.778 119.070 -0.003 0.000 3.091 328 H HA 0.267 4.823 4.556 -0.000 0.000 0.289 328 H C 1.055 176.384 175.328 0.002 0.000 0.995 328 H CA 0.240 56.281 56.048 -0.013 0.000 1.461 328 H CB 0.319 30.051 29.762 -0.050 0.000 1.510 328 H HN 0.307 nan 8.280 nan 0.000 0.546 329 G N 2.995 111.589 108.800 -0.344 0.000 2.159 329 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.256 329 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.256 329 G C 0.619 175.438 174.900 -0.135 0.000 0.977 329 G CA 0.223 45.138 45.100 -0.309 0.000 0.652 329 G HN 1.037 nan 8.290 nan 0.000 0.531 330 G N -0.529 108.221 108.800 -0.084 0.000 2.476 330 G HA2 0.460 4.420 3.960 -0.000 0.000 0.286 330 G HA3 0.460 4.420 3.960 -0.000 0.000 0.286 330 G C -0.020 174.840 174.900 -0.067 0.000 1.177 330 G CA -0.012 45.047 45.100 -0.068 0.000 0.870 330 G HN 0.466 nan 8.290 nan 0.000 0.528 331 N N 1.046 119.705 118.700 -0.069 0.000 2.508 331 N HA 0.049 4.789 4.740 -0.000 0.000 0.253 331 N C 0.100 175.562 175.510 -0.079 0.000 1.145 331 N CA -0.498 52.517 53.050 -0.059 0.000 0.973 331 N CB -0.035 38.417 38.487 -0.058 0.000 1.305 331 N HN 0.121 nan 8.380 nan 0.000 0.506 332 I N 2.038 122.549 120.570 -0.099 0.000 2.379 332 I HA 0.083 4.253 4.170 -0.000 0.000 0.290 332 I C 0.735 176.731 176.117 -0.202 0.000 1.063 332 I CA -0.476 60.688 61.300 -0.226 0.000 1.351 332 I CB 0.221 37.975 38.000 -0.411 0.000 1.410 332 I HN 0.378 nan 8.210 nan 0.000 0.505 333 K N 6.587 126.907 120.400 -0.133 0.000 2.267 333 K HA 0.151 4.471 4.320 -0.000 0.000 0.282 333 K C -0.646 175.875 176.600 -0.131 0.000 1.078 333 K CA -0.145 56.136 56.287 -0.011 0.000 0.903 333 K CB 0.205 32.801 32.500 0.161 0.000 1.111 333 K HN 0.366 nan 8.250 nan 0.000 0.475 334 W N 4.840 126.111 121.300 -0.049 0.000 1.830 334 W HA 0.072 4.732 4.660 -0.000 0.000 0.461 334 W C 0.276 176.686 176.519 -0.182 0.000 0.613 334 W CA -0.435 56.837 57.345 -0.122 0.000 2.422 334 W CB -0.583 28.818 29.460 -0.099 0.000 1.059 334 W HN 0.539 nan 8.180 nan 0.000 0.479 335 S N 0.185 115.778 115.700 -0.179 0.000 2.600 335 S HA 0.233 4.703 4.470 -0.000 0.000 0.265 335 S C -1.205 173.232 174.600 -0.273 0.000 1.325 335 S CA -1.107 56.941 58.200 -0.254 0.000 1.002 335 S CB 1.207 64.049 63.200 -0.596 0.000 0.921 335 S HN 0.002 nan 8.310 nan 0.000 0.554 336 P HA -0.053 nan 4.420 nan 0.000 0.216 336 P C 1.570 178.779 177.300 -0.152 0.000 1.153 336 P CA 1.847 64.859 63.100 -0.146 0.000 0.848 336 P CB -0.446 31.292 31.700 0.063 0.000 0.787 337 A N -0.448 122.285 122.820 -0.144 0.000 1.908 337 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 337 A C 2.294 179.725 177.584 -0.254 0.000 1.181 337 A CA 2.428 54.406 52.037 -0.099 0.000 0.627 337 A CB -1.466 17.418 19.000 -0.193 0.000 0.818 337 A HN 0.111 nan 8.150 nan 0.000 0.445 338 M N -0.555 118.720 119.600 -0.541 0.000 2.117 338 M HA -0.072 4.408 4.480 -0.000 0.000 0.262 338 M C 2.091 178.194 176.300 -0.329 0.000 1.065 338 M CA 1.774 56.826 55.300 -0.413 0.000 1.114 338 M CB -0.658 31.650 32.600 -0.487 0.000 1.361 338 M HN 0.446 nan 8.290 nan 0.000 0.408 339 M N -1.852 117.469 119.600 -0.466 0.000 2.080 339 M HA -0.249 4.231 4.480 -0.000 0.000 0.260 339 M C 1.993 177.781 176.300 -0.853 0.000 1.068 339 M CA 2.074 56.895 55.300 -0.799 0.000 1.109 339 M CB -0.739 31.063 32.600 -1.330 0.000 1.342 339 M HN 0.377 nan 8.290 nan 0.000 0.405 340 W N 0.153 121.097 121.300 -0.593 0.000 2.321 340 W HA -0.227 4.433 4.660 -0.000 0.000 0.306 340 W C 2.682 179.275 176.519 0.124 0.000 1.217 340 W CA 1.290 58.542 57.345 -0.157 0.000 1.257 340 W CB -0.493 28.911 29.460 -0.093 0.000 1.145 340 W HN 0.254 nan 8.180 nan 0.000 0.509 341 A N -0.352 122.572 122.820 0.173 0.000 1.930 341 A HA -0.064 4.256 4.320 -0.000 0.000 0.215 341 A C 1.897 179.590 177.584 0.182 0.000 1.176 341 A CA 1.078 53.174 52.037 0.099 0.000 0.632 341 A CB -0.868 18.074 19.000 -0.097 0.000 0.819 341 A HN 0.268 nan 8.150 nan 0.000 0.445 342 L N -0.531 120.766 121.223 0.123 0.000 2.046 342 L HA -0.100 4.240 4.340 -0.000 0.000 0.208 342 L C 2.849 179.960 176.870 0.401 0.000 1.077 342 L CA 1.129 56.086 54.840 0.196 0.000 0.747 342 L CB -0.928 41.186 42.059 0.092 0.000 0.896 342 L HN 0.456 nan 8.230 nan 0.000 0.432 343 G N -0.066 109.063 108.800 0.549 0.000 2.469 343 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.219 343 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.219 343 G C 1.513 176.824 174.900 0.686 0.000 1.150 343 G CA 0.906 46.529 45.100 0.872 0.000 0.763 343 G HN 0.322 nan 8.290 nan 0.000 0.561 344 F N 1.278 121.553 119.950 0.541 0.000 2.102 344 F HA -0.018 4.509 4.527 -0.000 0.000 0.298 344 F C 2.452 178.423 175.800 0.284 0.000 1.105 344 F CA 1.337 59.544 58.000 0.344 0.000 1.239 344 F CB -0.186 38.968 39.000 0.256 0.000 0.991 344 F HN 0.118 nan 8.300 nan 0.000 0.474 345 I N -0.900 120.010 120.570 0.566 0.000 2.252 345 I HA -0.272 3.898 4.170 -0.000 0.000 0.245 345 I C 2.288 178.643 176.117 0.397 0.000 1.102 345 I CA 1.340 62.947 61.300 0.512 0.000 1.385 345 I CB -0.550 37.711 38.000 0.434 0.000 1.064 345 I HN 0.230 nan 8.210 nan 0.000 0.414 346 F N 1.475 121.577 119.950 0.254 0.000 2.128 346 F HA -0.111 4.416 4.527 -0.000 0.000 0.295 346 F C 2.101 177.985 175.800 0.141 0.000 1.100 346 F CA 1.599 59.719 58.000 0.200 0.000 1.260 346 F CB -0.310 38.825 39.000 0.225 0.000 1.009 346 F HN -0.145 nan 8.300 nan 0.000 0.476 347 L N -1.055 120.144 121.223 -0.039 0.000 2.156 347 L HA -0.129 4.211 4.340 -0.000 0.000 0.208 347 L C 2.385 179.125 176.870 -0.217 0.000 1.095 347 L CA 1.037 55.740 54.840 -0.228 0.000 0.770 347 L CB -0.906 41.008 42.059 -0.241 0.000 0.914 347 L HN 0.224 nan 8.230 nan 0.000 0.439 348 F N 0.937 120.659 119.950 -0.379 0.000 2.186 348 F HA -0.206 4.321 4.527 -0.000 0.000 0.299 348 F C 2.376 178.067 175.800 -0.183 0.000 1.090 348 F CA 1.726 59.491 58.000 -0.390 0.000 1.307 348 F CB -0.227 38.315 39.000 -0.764 0.000 1.019 348 F HN -0.098 nan 8.300 nan 0.000 0.489 349 T N 0.207 114.624 114.554 -0.228 0.000 2.746 349 T HA -0.155 4.195 4.350 -0.000 0.000 0.267 349 T C 2.133 176.626 174.700 -0.345 0.000 1.039 349 T CA 1.582 63.536 62.100 -0.244 0.000 1.142 349 T CB -0.551 68.286 68.868 -0.050 0.000 0.866 349 T HN 0.136 nan 8.240 nan 0.000 0.444 350 V N 1.342 121.005 119.914 -0.417 0.000 2.295 350 V HA -0.112 4.008 4.120 -0.000 0.000 0.246 350 V C 2.844 178.721 176.094 -0.361 0.000 1.049 350 V CA 2.063 64.113 62.300 -0.418 0.000 1.024 350 V CB -1.311 30.201 31.823 -0.518 0.000 0.648 350 V HN 0.588 nan 8.190 nan 0.000 0.447 351 G N -0.171 108.434 108.800 -0.326 0.000 2.402 351 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 351 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 351 G C 1.644 176.432 174.900 -0.187 0.000 1.162 351 G CA 0.846 45.812 45.100 -0.223 0.000 0.777 351 G HN 0.579 nan 8.290 nan 0.000 0.539 352 G N 0.990 109.498 108.800 -0.487 0.000 2.440 352 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.218 352 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.218 352 G C 1.806 176.601 174.900 -0.174 0.000 1.154 352 G CA 0.814 45.694 45.100 -0.367 0.000 0.767 352 G HN 0.423 nan 8.290 nan 0.000 0.552 353 L N 1.109 122.218 121.223 -0.189 0.000 2.093 353 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 353 L C 3.294 180.099 176.870 -0.108 0.000 1.085 353 L CA 1.640 56.404 54.840 -0.127 0.000 0.755 353 L CB -0.802 41.183 42.059 -0.123 0.000 0.904 353 L HN 0.402 nan 8.230 nan 0.000 0.435 354 T N -3.402 111.082 114.554 -0.117 0.000 2.962 354 T HA -0.067 4.283 4.350 -0.000 0.000 0.270 354 T C 1.877 176.476 174.700 -0.169 0.000 1.088 354 T CA 0.890 62.957 62.100 -0.055 0.000 1.127 354 T CB -0.606 68.187 68.868 -0.124 0.000 0.883 354 T HN 0.392 nan 8.240 nan 0.000 0.493 355 G N 1.807 110.393 108.800 -0.358 0.000 2.394 355 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.215 355 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.215 355 G C 1.456 176.168 174.900 -0.315 0.000 1.165 355 G CA 0.443 45.112 45.100 -0.718 0.000 0.784 355 G HN 0.436 nan 8.290 nan 0.000 0.535 356 I N 1.240 121.707 120.570 -0.171 0.000 2.264 356 I HA -0.135 4.035 4.170 -0.000 0.000 0.248 356 I C 2.923 178.981 176.117 -0.098 0.000 1.111 356 I CA 0.720 61.955 61.300 -0.109 0.000 1.382 356 I CB -1.066 36.895 38.000 -0.066 0.000 1.060 356 I HN 0.026 nan 8.210 nan 0.000 0.418 357 V N 0.985 120.851 119.914 -0.080 0.000 2.295 357 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 357 V C 2.529 178.560 176.094 -0.104 0.000 1.049 357 V CA 1.530 63.786 62.300 -0.073 0.000 1.024 357 V CB -0.551 31.265 31.823 -0.012 0.000 0.648 357 V HN 0.327 nan 8.190 nan 0.000 0.447 358 L N 0.166 121.327 121.223 -0.104 0.000 2.362 358 L HA -0.060 4.280 4.340 -0.000 0.000 0.219 358 L C 2.573 179.410 176.870 -0.055 0.000 1.134 358 L CA 1.004 55.787 54.840 -0.095 0.000 0.807 358 L CB -0.711 41.272 42.059 -0.126 0.000 0.927 358 L HN 0.342 nan 8.230 nan 0.000 0.447 359 A N -0.415 122.351 122.820 -0.091 0.000 2.070 359 A HA -0.112 4.208 4.320 -0.000 0.000 0.220 359 A C 0.983 178.585 177.584 0.030 0.000 1.159 359 A CA 0.834 52.871 52.037 -0.000 0.000 0.656 359 A CB -0.515 18.444 19.000 -0.068 0.000 0.800 359 A HN 0.416 nan 8.150 nan 0.000 0.453 360 N N 1.240 119.884 118.700 -0.094 0.000 2.402 360 N HA 0.112 4.852 4.740 -0.000 0.000 0.252 360 N C 0.955 176.243 175.510 -0.371 0.000 1.118 360 N CA 0.621 53.548 53.050 -0.205 0.000 0.945 360 N CB 1.132 39.525 38.487 -0.157 0.000 1.147 360 N HN 0.452 nan 8.380 nan 0.000 0.495 361 S N 1.259 116.497 115.700 -0.769 0.000 2.402 361 S HA -0.184 4.286 4.470 -0.000 0.000 0.233 361 S C 1.929 176.249 174.600 -0.467 0.000 1.030 361 S CA 0.985 58.519 58.200 -1.110 0.000 1.003 361 S CB -0.052 62.346 63.200 -1.337 0.000 0.813 361 S HN 0.444 nan 8.310 nan 0.000 0.477 362 S N 1.386 116.897 115.700 -0.316 0.000 2.345 362 S HA 0.131 4.601 4.470 -0.000 0.000 0.220 362 S C 1.738 176.251 174.600 -0.145 0.000 1.031 362 S CA 0.931 59.019 58.200 -0.188 0.000 0.996 362 S CB -0.469 62.642 63.200 -0.149 0.000 0.882 362 S HN 0.425 nan 8.310 nan 0.000 0.445 363 L N 1.085 122.217 121.223 -0.152 0.000 2.109 363 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 363 L C 2.100 178.900 176.870 -0.116 0.000 1.086 363 L CA 1.497 56.257 54.840 -0.134 0.000 0.760 363 L CB -0.492 41.474 42.059 -0.155 0.000 0.910 363 L HN 0.307 nan 8.230 nan 0.000 0.437 364 D N -0.036 120.302 120.400 -0.103 0.000 2.221 364 D HA -0.222 4.418 4.640 -0.000 0.000 0.204 364 D C 2.154 178.488 176.300 0.057 0.000 0.982 364 D CA 0.798 54.798 54.000 -0.000 0.000 0.857 364 D CB 0.175 41.046 40.800 0.118 0.000 0.934 364 D HN 0.148 nan 8.370 nan 0.000 0.475 365 I N 0.266 120.837 120.570 0.002 0.000 2.145 365 I HA -0.246 3.924 4.170 -0.000 0.000 0.244 365 I C 2.330 178.479 176.117 0.053 0.000 1.075 365 I CA 0.949 62.268 61.300 0.033 0.000 1.332 365 I CB -1.224 36.772 38.000 -0.007 0.000 1.033 365 I HN 0.078 nan 8.210 nan 0.000 0.410 366 V N 0.234 120.151 119.914 0.005 0.000 2.788 366 V HA -0.074 4.046 4.120 -0.000 0.000 0.251 366 V C 2.292 178.383 176.094 -0.004 0.000 1.068 366 V CA 0.849 63.149 62.300 -0.001 0.000 1.090 366 V CB -0.070 31.735 31.823 -0.030 0.000 0.710 366 V HN 0.316 nan 8.190 nan 0.000 0.467 367 L N -1.362 119.850 121.223 -0.018 0.000 2.463 367 L HA 0.188 4.528 4.340 -0.000 0.000 0.219 367 L C 1.216 178.110 176.870 0.040 0.000 1.088 367 L CA -0.024 54.795 54.840 -0.035 0.000 0.849 367 L CB -0.322 41.644 42.059 -0.155 0.000 1.012 367 L HN 0.357 nan 8.230 nan 0.000 0.468 368 H N 1.425 120.506 119.070 0.018 0.000 3.064 368 H HA -0.125 4.431 4.556 -0.000 0.000 0.329 368 H C 0.430 175.787 175.328 0.049 0.000 1.020 368 H CA 0.696 56.773 56.048 0.048 0.000 1.402 368 H CB 0.097 29.898 29.762 0.064 0.000 1.379 368 H HN 0.124 nan 8.280 nan 0.000 0.594 369 D N 2.372 122.233 120.400 -0.898 0.000 2.837 369 D HA -0.205 4.435 4.640 -0.000 0.000 0.230 369 D C -0.415 175.754 176.300 -0.219 0.000 1.152 369 D CA 1.425 55.119 54.000 -0.510 0.000 0.736 369 D CB -0.804 39.757 40.800 -0.398 0.000 1.084 369 D HN 0.759 nan 8.370 nan 0.000 0.429 370 T N -4.291 110.176 114.554 -0.145 0.000 2.888 370 T HA 0.424 4.774 4.350 -0.000 0.000 0.288 370 T C 0.980 175.649 174.700 -0.051 0.000 1.063 370 T CA -0.754 61.308 62.100 -0.063 0.000 1.010 370 T CB 0.938 69.805 68.868 -0.001 0.000 1.214 370 T HN -0.052 nan 8.240 nan 0.000 0.533 371 Y N -0.562 119.681 120.300 -0.095 0.000 2.639 371 Y HA 0.025 4.575 4.550 -0.000 0.000 0.297 371 Y C 1.982 177.807 175.900 -0.124 0.000 1.151 371 Y CA 0.764 58.795 58.100 -0.115 0.000 1.335 371 Y CB -0.442 37.929 38.460 -0.148 0.000 0.994 371 Y HN 0.820 nan 8.280 nan 0.000 0.548 372 Y N -0.802 119.459 120.300 -0.065 0.000 2.181 372 Y HA -0.276 4.274 4.550 -0.000 0.000 0.288 372 Y C 2.229 178.056 175.900 -0.121 0.000 1.146 372 Y CA 1.584 59.627 58.100 -0.095 0.000 1.164 372 Y CB -0.362 38.072 38.460 -0.043 0.000 0.982 372 Y HN -0.101 nan 8.280 nan 0.000 0.515 373 V N -1.096 118.860 119.914 0.069 0.000 2.343 373 V HA -0.328 3.792 4.120 -0.000 0.000 0.247 373 V C 2.262 178.219 176.094 -0.227 0.000 1.051 373 V CA 1.786 64.132 62.300 0.077 0.000 1.036 373 V CB -0.899 31.019 31.823 0.160 0.000 0.654 373 V HN 0.316 nan 8.190 nan 0.000 0.451 374 V N 0.361 119.971 119.914 -0.507 0.000 2.407 374 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 374 V C 2.683 178.316 176.094 -0.768 0.000 1.055 374 V CA 2.004 63.675 62.300 -1.049 0.000 1.049 374 V CB -1.214 30.162 31.823 -0.745 0.000 0.662 374 V HN 0.560 nan 8.190 nan 0.000 0.455 375 A N 0.058 122.571 122.820 -0.510 0.000 1.855 375 A HA -0.283 4.037 4.320 -0.000 0.000 0.215 375 A C 2.154 179.466 177.584 -0.453 0.000 1.191 375 A CA 2.234 53.931 52.037 -0.566 0.000 0.613 375 A CB -0.890 17.397 19.000 -1.187 0.000 0.829 375 A HN 0.766 nan 8.150 nan 0.000 0.442 376 H N 0.274 119.044 119.070 -0.500 0.000 2.289 376 H HA -0.233 4.323 4.556 -0.000 0.000 0.296 376 H C 1.709 176.919 175.328 -0.195 0.000 1.091 376 H CA 2.496 58.365 56.048 -0.297 0.000 1.274 376 H CB -0.873 28.796 29.762 -0.156 0.000 1.364 376 H HN 0.603 nan 8.280 nan 0.000 0.490 377 F N -1.155 118.495 119.950 -0.500 0.000 2.325 377 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 377 F C 1.887 177.272 175.800 -0.691 0.000 1.090 377 F CA 1.001 58.575 58.000 -0.710 0.000 1.392 377 F CB -0.700 37.988 39.000 -0.520 0.000 1.053 377 F HN 0.176 nan 8.300 nan 0.000 0.521 378 H N -1.419 117.262 119.070 -0.649 0.000 2.495 378 H HA -0.009 4.547 4.556 -0.000 0.000 0.287 378 H C 1.478 176.379 175.328 -0.711 0.000 1.033 378 H CA 1.776 57.293 56.048 -0.886 0.000 1.307 378 H CB -0.373 28.108 29.762 -2.136 0.000 1.401 378 H HN 0.280 nan 8.280 nan 0.000 0.555 379 Y N 0.130 120.118 120.300 -0.521 0.000 2.133 379 Y HA -0.221 4.329 4.550 -0.000 0.000 0.287 379 Y C 2.584 178.270 175.900 -0.356 0.000 1.134 379 Y CA 1.527 59.394 58.100 -0.389 0.000 1.133 379 Y CB -0.527 37.746 38.460 -0.311 0.000 0.987 379 Y HN 0.142 nan 8.280 nan 0.000 0.502 380 V N -2.312 117.469 119.914 -0.222 0.000 2.809 380 V HA -0.142 3.978 4.120 -0.000 0.000 0.256 380 V C 1.719 177.741 176.094 -0.121 0.000 1.080 380 V CA 1.317 63.535 62.300 -0.136 0.000 1.102 380 V CB -0.845 30.878 31.823 -0.166 0.000 0.705 380 V HN 0.351 nan 8.190 nan 0.000 0.475 381 L N 0.005 121.100 121.223 -0.215 0.000 2.187 381 L HA 0.090 4.430 4.340 -0.000 0.000 0.197 381 L C 2.762 179.575 176.870 -0.095 0.000 1.090 381 L CA 1.318 56.051 54.840 -0.178 0.000 0.781 381 L CB -0.588 41.309 42.059 -0.269 0.000 0.956 381 L HN 0.181 nan 8.230 nan 0.000 0.463 382 S N -0.367 115.251 115.700 -0.136 0.000 2.423 382 S HA -0.022 4.448 4.470 -0.000 0.000 0.231 382 S C 1.619 176.239 174.600 0.032 0.000 1.014 382 S CA 1.241 59.449 58.200 0.013 0.000 0.965 382 S CB -0.041 63.189 63.200 0.050 0.000 0.785 382 S HN 0.313 nan 8.310 nan 0.000 0.495 383 M N -0.135 119.308 119.600 -0.261 0.000 2.346 383 M HA 0.276 4.756 4.480 -0.000 0.000 0.280 383 M C 1.394 177.432 176.300 -0.436 0.000 1.075 383 M CA -0.065 54.825 55.300 -0.683 0.000 0.989 383 M CB 0.877 32.917 32.600 -0.933 0.000 1.447 383 M HN 0.318 nan 8.290 nan 0.000 0.511 384 G N -0.008 108.745 108.800 -0.078 0.000 2.446 384 G HA2 0.360 4.320 3.960 -0.000 0.000 0.202 384 G HA3 0.360 4.320 3.960 -0.000 0.000 0.202 384 G C 1.262 176.384 174.900 0.371 0.000 1.842 384 G CA 0.495 45.580 45.100 -0.024 0.000 0.703 384 G HN 0.223 nan 8.290 nan 0.000 0.731 385 A N 0.018 122.971 122.820 0.221 0.000 1.954 385 A HA -0.099 4.221 4.320 -0.000 0.000 0.222 385 A C 2.503 180.213 177.584 0.209 0.000 1.199 385 A CA 2.650 54.793 52.037 0.176 0.000 0.657 385 A CB -0.929 18.084 19.000 0.022 0.000 0.823 385 A HN 0.507 nan 8.150 nan 0.000 0.463 386 V N -1.942 118.117 119.914 0.242 0.000 2.591 386 V HA -0.156 3.964 4.120 -0.000 0.000 0.249 386 V C 2.223 178.501 176.094 0.307 0.000 1.053 386 V CA 1.655 64.097 62.300 0.237 0.000 1.068 386 V CB -0.746 31.242 31.823 0.276 0.000 0.689 386 V HN 0.624 nan 8.190 nan 0.000 0.462 387 F N 0.420 120.509 119.950 0.231 0.000 2.146 387 F HA -0.135 4.392 4.527 -0.000 0.000 0.298 387 F C 2.478 178.415 175.800 0.228 0.000 1.096 387 F CA 1.087 59.322 58.000 0.392 0.000 1.275 387 F CB -0.320 39.070 39.000 0.650 0.000 1.008 387 F HN 0.138 nan 8.300 nan 0.000 0.480 388 A N 0.343 123.396 122.820 0.390 0.000 1.933 388 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 388 A C 2.103 179.661 177.584 -0.044 0.000 1.175 388 A CA 1.388 53.450 52.037 0.043 0.000 0.628 388 A CB -1.000 17.951 19.000 -0.081 0.000 0.814 388 A HN 0.416 nan 8.150 nan 0.000 0.444 389 I N -0.860 119.722 120.570 0.020 0.000 2.226 389 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 389 I C 2.533 178.659 176.117 0.016 0.000 1.100 389 I CA 1.105 62.443 61.300 0.064 0.000 1.374 389 I CB -0.239 37.847 38.000 0.143 0.000 1.057 389 I HN 0.261 nan 8.210 nan 0.000 0.413 390 M N 0.141 119.577 119.600 -0.273 0.000 2.156 390 M HA -0.043 4.437 4.480 -0.000 0.000 0.264 390 M C 2.393 178.370 176.300 -0.538 0.000 1.067 390 M CA 1.641 56.562 55.300 -0.633 0.000 1.131 390 M CB -1.907 29.598 32.600 -1.825 0.000 1.368 390 M HN 0.268 nan 8.290 nan 0.000 0.416 391 G N -0.229 108.329 108.800 -0.404 0.000 2.421 391 G HA2 -0.105 3.855 3.960 -0.000 0.000 0.216 391 G HA3 -0.105 3.855 3.960 -0.000 0.000 0.216 391 G C 1.600 176.478 174.900 -0.037 0.000 1.171 391 G CA 1.004 46.064 45.100 -0.067 0.000 0.775 391 G HN 0.536 nan 8.290 nan 0.000 0.543 392 G N 0.404 109.162 108.800 -0.070 0.000 2.446 392 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 392 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 392 G C 1.641 176.760 174.900 0.365 0.000 1.168 392 G CA 1.013 46.096 45.100 -0.029 0.000 0.771 392 G HN 0.360 nan 8.290 nan 0.000 0.551 393 F N 1.663 121.802 119.950 0.315 0.000 2.113 393 F HA -0.106 4.421 4.527 -0.000 0.000 0.297 393 F C 2.806 178.733 175.800 0.212 0.000 1.103 393 F CA 1.947 60.186 58.000 0.399 0.000 1.248 393 F CB -0.373 38.791 39.000 0.273 0.000 0.999 393 F HN 0.073 nan 8.300 nan 0.000 0.475 394 V N -1.417 118.580 119.914 0.137 0.000 2.515 394 V HA -0.244 3.876 4.120 -0.000 0.000 0.250 394 V C 2.362 178.464 176.094 0.014 0.000 1.058 394 V CA 2.404 64.733 62.300 0.049 0.000 1.064 394 V CB -1.388 30.548 31.823 0.187 0.000 0.675 394 V HN 0.524 nan 8.190 nan 0.000 0.461 395 H N -1.001 118.005 119.070 -0.107 0.000 2.357 395 H HA -0.071 4.485 4.556 -0.000 0.000 0.301 395 H C 1.804 176.969 175.328 -0.271 0.000 1.082 395 H CA 2.307 58.216 56.048 -0.233 0.000 1.342 395 H CB -0.150 29.308 29.762 -0.506 0.000 1.389 395 H HN 0.566 nan 8.280 nan 0.000 0.511 396 W N -0.560 120.526 121.300 -0.356 0.000 3.211 396 W HA 0.056 4.716 4.660 -0.000 0.000 0.292 396 W C 1.488 177.286 176.519 -1.202 0.000 1.268 396 W CA -0.311 56.472 57.345 -0.937 0.000 1.702 396 W CB -0.764 28.009 29.460 -1.146 0.000 1.092 396 W HN 0.192 nan 8.180 nan 0.000 0.643 397 F N 2.742 122.246 119.950 -0.743 0.000 2.063 397 F HA -0.257 4.270 4.527 -0.000 0.000 0.298 397 F C -0.777 174.722 175.800 -0.501 0.000 1.105 397 F CA 2.389 59.947 58.000 -0.737 0.000 1.215 397 F CB -1.484 37.032 39.000 -0.807 0.000 0.972 397 F HN -0.238 nan 8.300 nan 0.000 0.483 398 P HA -0.184 nan 4.420 nan 0.000 0.215 398 P C 1.810 178.941 177.300 -0.283 0.000 1.153 398 P CA 1.388 64.356 63.100 -0.219 0.000 0.853 398 P CB -0.106 31.649 31.700 0.092 0.000 0.788 399 L N -1.316 119.626 121.223 -0.468 0.000 1.989 399 L HA -0.164 4.176 4.340 -0.000 0.000 0.211 399 L C 2.045 178.578 176.870 -0.561 0.000 1.071 399 L CA 2.120 56.546 54.840 -0.690 0.000 0.749 399 L CB -1.446 39.803 42.059 -1.351 0.000 0.890 399 L HN -0.133 nan 8.230 nan 0.000 0.431 400 F N -0.553 118.876 119.950 -0.868 0.000 2.186 400 F HA -0.072 4.455 4.527 -0.000 0.000 0.299 400 F C 2.779 178.215 175.800 -0.607 0.000 1.090 400 F CA 1.048 58.374 58.000 -1.123 0.000 1.307 400 F CB -1.625 36.620 39.000 -1.259 0.000 1.019 400 F HN 0.383 nan 8.300 nan 0.000 0.489 401 S N -1.564 113.806 115.700 -0.551 0.000 2.497 401 S HA 0.403 4.873 4.470 -0.000 0.000 0.218 401 S C 1.866 176.148 174.600 -0.530 0.000 1.023 401 S CA 0.471 58.386 58.200 -0.475 0.000 0.913 401 S CB 0.222 62.874 63.200 -0.912 0.000 0.800 401 S HN 0.522 nan 8.310 nan 0.000 0.505 402 G N 0.182 108.685 108.800 -0.494 0.000 2.179 402 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.260 402 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.260 402 G C -0.265 174.380 174.900 -0.425 0.000 0.977 402 G CA 0.505 45.348 45.100 -0.429 0.000 0.641 402 G HN 0.549 nan 8.290 nan 0.000 0.533 403 Y N 1.123 121.294 120.300 -0.215 0.000 2.446 403 Y HA 0.651 5.201 4.550 -0.000 0.000 0.338 403 Y C 1.044 176.921 175.900 -0.037 0.000 1.055 403 Y CA -0.705 57.324 58.100 -0.119 0.000 1.101 403 Y CB 1.505 39.887 38.460 -0.130 0.000 1.221 403 Y HN 0.296 nan 8.280 nan 0.000 0.460 404 T N 0.354 115.027 114.554 0.198 0.000 2.899 404 T HA 0.708 5.058 4.350 -0.000 0.000 0.284 404 T C -0.170 174.615 174.700 0.140 0.000 1.004 404 T CA -0.778 61.416 62.100 0.157 0.000 1.043 404 T CB 0.709 69.632 68.868 0.092 0.000 1.013 404 T HN 0.500 nan 8.240 nan 0.000 0.518 405 L N 1.503 122.779 121.223 0.088 0.000 2.448 405 L HA 0.435 4.775 4.340 -0.000 0.000 0.258 405 L C 1.019 177.914 176.870 0.042 0.000 1.104 405 L CA -1.221 53.612 54.840 -0.011 0.000 0.800 405 L CB 0.638 42.668 42.059 -0.048 0.000 1.241 405 L HN 0.715 nan 8.230 nan 0.000 0.472 406 N N 0.684 119.428 118.700 0.072 0.000 2.401 406 N HA -0.017 4.723 4.740 -0.000 0.000 0.255 406 N C -0.006 175.604 175.510 0.166 0.000 1.110 406 N CA -0.036 53.104 53.050 0.151 0.000 0.949 406 N CB 1.156 39.819 38.487 0.293 0.000 1.110 406 N HN 0.513 nan 8.380 nan 0.000 0.490 407 D N 2.285 122.750 120.400 0.109 0.000 2.144 407 D HA -0.102 4.538 4.640 -0.000 0.000 0.199 407 D C 1.254 177.615 176.300 0.102 0.000 0.984 407 D CA 1.443 55.502 54.000 0.097 0.000 0.834 407 D CB 0.151 40.987 40.800 0.060 0.000 0.955 407 D HN 0.563 nan 8.370 nan 0.000 0.465 408 T N -0.613 113.978 114.554 0.062 0.000 2.652 408 T HA -0.184 4.166 4.350 -0.000 0.000 0.267 408 T C 1.744 176.483 174.700 0.065 0.000 1.039 408 T CA 1.101 63.199 62.100 -0.002 0.000 1.153 408 T CB -0.609 68.181 68.868 -0.131 0.000 0.863 408 T HN 0.343 nan 8.240 nan 0.000 0.428 409 W N 1.273 122.643 121.300 0.115 0.000 2.338 409 W HA -0.076 4.584 4.660 -0.000 0.000 0.304 409 W C 2.859 179.497 176.519 0.199 0.000 1.212 409 W CA 0.560 58.006 57.345 0.169 0.000 1.264 409 W CB -0.314 29.260 29.460 0.189 0.000 1.142 409 W HN 0.238 nan 8.180 nan 0.000 0.512 410 A N 0.267 123.335 122.820 0.413 0.000 1.930 410 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 410 A C 1.813 179.616 177.584 0.364 0.000 1.175 410 A CA 1.749 54.022 52.037 0.394 0.000 0.627 410 A CB -0.543 18.628 19.000 0.285 0.000 0.815 410 A HN 0.307 nan 8.150 nan 0.000 0.443 411 K N -0.513 120.022 120.400 0.225 0.000 2.103 411 K HA 0.062 4.382 4.320 -0.000 0.000 0.204 411 K C 1.726 178.428 176.600 0.169 0.000 1.052 411 K CA 1.222 57.591 56.287 0.137 0.000 0.945 411 K CB -0.283 32.248 32.500 0.051 0.000 0.722 411 K HN 0.491 nan 8.250 nan 0.000 0.443 412 I N 0.790 121.480 120.570 0.201 0.000 2.179 412 I HA -0.331 3.839 4.170 -0.000 0.000 0.242 412 I C 2.696 178.969 176.117 0.261 0.000 1.088 412 I CA 1.348 62.770 61.300 0.202 0.000 1.357 412 I CB -0.414 37.745 38.000 0.264 0.000 1.051 412 I HN 0.352 nan 8.210 nan 0.000 0.409 413 H N 0.816 120.062 119.070 0.294 0.000 2.289 413 H HA -0.304 4.252 4.556 -0.000 0.000 0.296 413 H C 2.315 177.771 175.328 0.213 0.000 1.091 413 H CA 2.443 58.671 56.048 0.300 0.000 1.274 413 H CB -0.315 29.674 29.762 0.377 0.000 1.364 413 H HN 0.325 nan 8.280 nan 0.000 0.490 414 F N 1.562 121.356 119.950 -0.260 0.000 2.091 414 F HA -0.233 4.294 4.527 -0.000 0.000 0.299 414 F C 2.699 178.240 175.800 -0.431 0.000 1.103 414 F CA 2.060 59.585 58.000 -0.792 0.000 1.228 414 F CB -0.889 37.518 39.000 -0.989 0.000 0.984 414 F HN 0.254 nan 8.300 nan 0.000 0.477 415 A N 0.578 123.193 122.820 -0.341 0.000 1.902 415 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 415 A C 2.310 179.772 177.584 -0.204 0.000 1.181 415 A CA 2.064 53.906 52.037 -0.324 0.000 0.623 415 A CB -1.236 17.713 19.000 -0.085 0.000 0.818 415 A HN 0.522 nan 8.150 nan 0.000 0.443 416 I N -1.573 118.935 120.570 -0.103 0.000 2.202 416 I HA -0.260 3.910 4.170 -0.000 0.000 0.242 416 I C 2.619 178.711 176.117 -0.042 0.000 1.091 416 I CA 1.783 63.072 61.300 -0.018 0.000 1.368 416 I CB -0.248 37.792 38.000 0.068 0.000 1.058 416 I HN 0.395 nan 8.210 nan 0.000 0.410 417 M N 0.495 120.028 119.600 -0.112 0.000 2.106 417 M HA -0.304 4.176 4.480 -0.000 0.000 0.259 417 M C 2.109 178.402 176.300 -0.011 0.000 1.068 417 M CA 2.010 57.284 55.300 -0.044 0.000 1.100 417 M CB -0.669 31.920 32.600 -0.018 0.000 1.351 417 M HN 0.230 nan 8.290 nan 0.000 0.404 418 F N -0.577 119.160 119.950 -0.354 0.000 2.095 418 F HA -0.204 4.323 4.527 -0.000 0.000 0.298 418 F C 1.855 177.601 175.800 -0.089 0.000 1.104 418 F CA 1.918 59.779 58.000 -0.231 0.000 1.232 418 F CB -0.429 38.184 39.000 -0.646 0.000 0.987 418 F HN -0.014 nan 8.300 nan 0.000 0.475 419 V N 0.265 120.226 119.914 0.078 0.000 2.358 419 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 419 V C 2.707 178.784 176.094 -0.029 0.000 1.047 419 V CA 1.930 64.255 62.300 0.041 0.000 1.035 419 V CB -1.611 30.251 31.823 0.065 0.000 0.658 419 V HN 0.549 nan 8.190 nan 0.000 0.452 420 G N 0.570 109.364 108.800 -0.010 0.000 2.414 420 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.215 420 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.215 420 G C 1.775 176.640 174.900 -0.058 0.000 1.188 420 G CA 1.496 46.589 45.100 -0.012 0.000 0.783 420 G HN 0.552 nan 8.290 nan 0.000 0.537 421 V N -0.534 119.365 119.914 -0.025 0.000 2.407 421 V HA -0.174 3.946 4.120 -0.000 0.000 0.248 421 V C 2.183 178.215 176.094 -0.103 0.000 1.055 421 V CA 2.223 64.521 62.300 -0.004 0.000 1.049 421 V CB -0.660 31.238 31.823 0.125 0.000 0.662 421 V HN 0.283 nan 8.190 nan 0.000 0.455 422 N N -0.121 118.453 118.700 -0.210 0.000 2.216 422 N HA -0.048 4.692 4.740 -0.000 0.000 0.183 422 N C 1.852 177.344 175.510 -0.030 0.000 1.017 422 N CA 1.867 54.812 53.050 -0.176 0.000 0.861 422 N CB -0.153 38.147 38.487 -0.311 0.000 0.986 422 N HN 0.584 nan 8.380 nan 0.000 0.428 423 M N 0.929 120.493 119.600 -0.060 0.000 2.117 423 M HA -0.144 4.336 4.480 -0.000 0.000 0.262 423 M C 1.715 177.957 176.300 -0.097 0.000 1.065 423 M CA 1.337 56.624 55.300 -0.021 0.000 1.114 423 M CB -0.161 32.435 32.600 -0.007 0.000 1.361 423 M HN -0.002 nan 8.290 nan 0.000 0.408 424 T N 0.199 114.593 114.554 -0.266 0.000 2.684 424 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 424 T C 1.242 175.567 174.700 -0.624 0.000 1.036 424 T CA 1.818 63.577 62.100 -0.568 0.000 1.148 424 T CB -0.378 67.852 68.868 -1.064 0.000 0.863 424 T HN 0.427 nan 8.240 nan 0.000 0.436 425 F N -0.850 119.049 119.950 -0.086 0.000 2.622 425 F HA 0.311 4.838 4.527 -0.000 0.000 0.288 425 F C 1.816 177.590 175.800 -0.043 0.000 1.120 425 F CA -0.469 57.471 58.000 -0.101 0.000 1.423 425 F CB -0.215 38.694 39.000 -0.151 0.000 1.127 425 F HN 0.018 nan 8.300 nan 0.000 0.588 426 F N 2.911 122.920 119.950 0.098 0.000 2.095 426 F HA -0.077 4.450 4.527 -0.000 0.000 0.298 426 F C -0.918 174.669 175.800 -0.353 0.000 1.104 426 F CA 1.210 59.235 58.000 0.042 0.000 1.232 426 F CB -1.699 37.333 39.000 0.053 0.000 0.987 426 F HN -0.169 nan 8.300 nan 0.000 0.475 427 P HA -0.147 nan 4.420 nan 0.000 0.228 427 P C 0.990 177.907 177.300 -0.638 0.000 1.151 427 P CA 1.401 64.066 63.100 -0.726 0.000 0.770 427 P CB -0.213 31.423 31.700 -0.108 0.000 0.786 428 Q N -1.930 117.589 119.800 -0.467 0.000 2.378 428 Q HA -0.122 4.218 4.340 -0.000 0.000 0.205 428 Q C 1.588 177.348 176.000 -0.400 0.000 0.954 428 Q CA 0.758 56.380 55.803 -0.302 0.000 0.901 428 Q CB -0.465 28.219 28.738 -0.090 0.000 0.981 428 Q HN 0.513 nan 8.270 nan 0.000 0.483 429 H N -0.741 117.934 119.070 -0.658 0.000 2.353 429 H HA -0.150 4.406 4.556 -0.000 0.000 0.300 429 H C 1.372 176.520 175.328 -0.301 0.000 1.090 429 H CA 1.631 57.306 56.048 -0.622 0.000 1.327 429 H CB -0.007 29.204 29.762 -0.917 0.000 1.383 429 H HN 0.195 nan 8.280 nan 0.000 0.508 430 F N 0.414 120.201 119.950 -0.272 0.000 2.113 430 F HA -0.112 4.415 4.527 -0.000 0.000 0.297 430 F C 2.298 178.079 175.800 -0.032 0.000 1.103 430 F CA 0.759 58.617 58.000 -0.238 0.000 1.248 430 F CB -1.147 37.452 39.000 -0.669 0.000 0.999 430 F HN 0.063 nan 8.300 nan 0.000 0.475 431 L N -0.018 121.280 121.223 0.125 0.000 2.021 431 L HA -0.225 4.115 4.340 -0.000 0.000 0.215 431 L C 2.765 179.679 176.870 0.073 0.000 1.074 431 L CA 1.645 56.542 54.840 0.095 0.000 0.760 431 L CB -1.473 40.514 42.059 -0.120 0.000 0.889 431 L HN 0.310 nan 8.230 nan 0.000 0.433 432 G N -0.119 108.745 108.800 0.107 0.000 2.433 432 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.216 432 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.216 432 G C 1.589 176.584 174.900 0.157 0.000 1.186 432 G CA 0.618 45.817 45.100 0.164 0.000 0.779 432 G HN 0.244 nan 8.290 nan 0.000 0.543 433 L N 1.546 122.888 121.223 0.199 0.000 2.131 433 L HA -0.089 4.251 4.340 -0.000 0.000 0.210 433 L C 3.035 179.980 176.870 0.126 0.000 1.092 433 L CA 1.487 56.399 54.840 0.120 0.000 0.759 433 L CB -0.308 41.835 42.059 0.140 0.000 0.903 433 L HN 0.437 nan 8.230 nan 0.000 0.435 434 S N -0.811 115.007 115.700 0.197 0.000 2.603 434 S HA 0.162 4.632 4.470 -0.000 0.000 0.220 434 S C 1.391 176.177 174.600 0.311 0.000 0.967 434 S CA 0.323 58.678 58.200 0.259 0.000 0.920 434 S CB 0.326 63.729 63.200 0.338 0.000 0.773 434 S HN 0.548 nan 8.310 nan 0.000 0.529 435 G N 1.322 110.223 108.800 0.169 0.000 2.130 435 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.216 435 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.216 435 G C -0.144 174.714 174.900 -0.069 0.000 0.999 435 G CA 0.041 45.193 45.100 0.086 0.000 0.686 435 G HN 0.667 nan 8.290 nan 0.000 0.515 436 M N 1.484 120.889 119.600 -0.325 0.000 2.251 436 M HA 0.426 4.906 4.480 -0.000 0.000 0.346 436 M C -2.029 174.102 176.300 -0.281 0.000 1.499 436 M CA -1.321 53.591 55.300 -0.647 0.000 1.128 436 M CB 0.575 32.654 32.600 -0.868 0.000 1.809 436 M HN 0.003 nan 8.290 nan 0.000 0.464 437 P HA 0.151 nan 4.420 nan 0.000 0.272 437 P C -1.154 175.995 177.300 -0.251 0.000 1.230 437 P CA -0.084 62.727 63.100 -0.482 0.000 0.788 437 P CB 0.511 31.549 31.700 -1.104 0.000 0.949 438 R N 1.714 122.118 120.500 -0.159 0.000 2.539 438 R HA 0.322 4.662 4.340 -0.000 0.000 0.275 438 R C 0.377 176.762 176.300 0.142 0.000 1.077 438 R CA -0.177 55.879 56.100 -0.073 0.000 1.097 438 R CB 0.110 30.342 30.300 -0.113 0.000 1.018 438 R HN 0.420 nan 8.270 nan 0.000 0.483 439 R N 0.447 121.132 120.500 0.308 0.000 3.644 439 R HA -0.200 4.140 4.340 -0.000 0.000 0.308 439 R C -1.321 175.354 176.300 0.625 0.000 1.161 439 R CA 0.576 56.950 56.100 0.457 0.000 0.819 439 R CB -1.873 28.597 30.300 0.284 0.000 1.363 439 R HN 0.600 nan 8.270 nan 0.000 0.479 440 Y N -0.446 120.011 120.300 0.263 0.000 2.335 440 Y HA 0.150 4.700 4.550 -0.000 0.000 0.338 440 Y C 1.596 177.292 175.900 -0.339 0.000 0.977 440 Y CA -0.169 57.961 58.100 0.051 0.000 1.114 440 Y CB 1.614 40.133 38.460 0.099 0.000 1.182 440 Y HN 0.204 nan 8.280 nan 0.000 0.463 441 S N 0.568 115.951 115.700 -0.528 0.000 2.515 441 S HA -0.031 4.439 4.470 -0.000 0.000 0.231 441 S C 0.012 174.364 174.600 -0.413 0.000 0.987 441 S CA 0.767 58.463 58.200 -0.840 0.000 0.936 441 S CB 0.066 62.988 63.200 -0.463 0.000 0.766 441 S HN 0.715 nan 8.310 nan 0.000 0.528 442 D N -0.818 119.437 120.400 -0.242 0.000 2.653 442 D HA 0.499 5.139 4.640 -0.000 0.000 0.258 442 D C -1.818 174.450 176.300 -0.053 0.000 1.252 442 D CA -0.755 53.064 54.000 -0.302 0.000 0.777 442 D CB 1.488 42.098 40.800 -0.316 0.000 1.339 442 D HN 0.229 nan 8.370 nan 0.000 0.422 443 Y N -1.879 118.475 120.300 0.089 0.000 2.544 443 Y HA 0.715 5.265 4.550 -0.000 0.000 0.342 443 Y C -2.713 173.319 175.900 0.219 0.000 1.062 443 Y CA -2.443 55.779 58.100 0.203 0.000 1.023 443 Y CB 0.039 38.586 38.460 0.145 0.000 1.308 443 Y HN 0.052 nan 8.280 nan 0.000 0.457 444 P HA -0.011 nan 4.420 nan 0.000 0.264 444 P C 0.190 177.689 177.300 0.333 0.000 1.179 444 P CA 0.457 63.751 63.100 0.322 0.000 0.763 444 P CB 0.859 32.733 31.700 0.289 0.000 0.806 445 D N 2.330 122.812 120.400 0.138 0.000 2.149 445 D HA -0.232 4.408 4.640 -0.000 0.000 0.194 445 D C 1.909 178.227 176.300 0.030 0.000 1.001 445 D CA 2.046 56.106 54.000 0.100 0.000 0.849 445 D CB -0.729 40.082 40.800 0.017 0.000 0.939 445 D HN 0.424 nan 8.370 nan 0.000 0.449 446 A N 0.059 122.806 122.820 -0.122 0.000 2.042 446 A HA -0.227 4.093 4.320 -0.000 0.000 0.222 446 A C 1.376 178.802 177.584 -0.263 0.000 1.167 446 A CA 1.200 53.078 52.037 -0.265 0.000 0.649 446 A CB -0.947 17.794 19.000 -0.431 0.000 0.809 446 A HN 0.344 nan 8.150 nan 0.000 0.457 447 Y N -0.230 120.070 120.300 0.001 0.000 2.470 447 Y HA 0.113 4.663 4.550 -0.000 0.000 0.284 447 Y C 2.272 177.975 175.900 -0.328 0.000 1.188 447 Y CA 0.527 58.536 58.100 -0.151 0.000 1.269 447 Y CB -0.749 37.583 38.460 -0.214 0.000 1.094 447 Y HN 0.192 nan 8.280 nan 0.000 0.518 448 T N 0.078 114.613 114.554 -0.032 0.000 2.737 448 T HA -0.223 4.127 4.350 -0.000 0.000 0.265 448 T C 2.078 176.698 174.700 -0.133 0.000 1.038 448 T CA 1.489 63.598 62.100 0.016 0.000 1.144 448 T CB -0.154 68.777 68.868 0.105 0.000 0.866 448 T HN 0.461 nan 8.240 nan 0.000 0.434 449 M N -0.433 119.007 119.600 -0.268 0.000 2.086 449 M HA -0.094 4.386 4.480 -0.000 0.000 0.261 449 M C 1.863 178.009 176.300 -0.257 0.000 1.067 449 M CA 1.777 56.862 55.300 -0.359 0.000 1.116 449 M CB -0.236 31.959 32.600 -0.675 0.000 1.348 449 M HN 0.402 nan 8.290 nan 0.000 0.407 450 W N 0.578 121.857 121.300 -0.036 0.000 2.374 450 W HA -0.129 4.531 4.660 -0.000 0.000 0.288 450 W C 2.215 178.657 176.519 -0.128 0.000 1.218 450 W CA 0.178 57.506 57.345 -0.029 0.000 1.245 450 W CB -0.616 28.866 29.460 0.037 0.000 1.126 450 W HN 0.321 nan 8.180 nan 0.000 0.545 451 N N -0.020 118.648 118.700 -0.055 0.000 2.142 451 N HA -0.116 4.624 4.740 -0.000 0.000 0.186 451 N C 1.552 177.025 175.510 -0.062 0.000 1.023 451 N CA 2.064 55.001 53.050 -0.189 0.000 0.852 451 N CB -0.658 37.496 38.487 -0.555 0.000 0.998 451 N HN 0.079 nan 8.380 nan 0.000 0.424 452 T N 2.255 116.790 114.554 -0.031 0.000 2.652 452 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 452 T C 2.137 176.837 174.700 0.001 0.000 1.039 452 T CA 0.843 62.937 62.100 -0.010 0.000 1.153 452 T CB -0.182 68.671 68.868 -0.025 0.000 0.863 452 T HN 0.188 nan 8.240 nan 0.000 0.428 453 I N 0.919 121.517 120.570 0.046 0.000 2.179 453 I HA -0.179 3.991 4.170 -0.000 0.000 0.242 453 I C 2.849 178.989 176.117 0.038 0.000 1.088 453 I CA 1.018 62.366 61.300 0.080 0.000 1.357 453 I CB -0.544 37.579 38.000 0.205 0.000 1.051 453 I HN 0.261 nan 8.210 nan 0.000 0.409 454 S N 0.543 116.253 115.700 0.017 0.000 2.372 454 S HA -0.237 4.233 4.470 -0.000 0.000 0.227 454 S C 2.230 176.771 174.600 -0.098 0.000 1.044 454 S CA 2.371 60.517 58.200 -0.090 0.000 1.050 454 S CB -0.224 62.897 63.200 -0.131 0.000 0.901 454 S HN 0.427 nan 8.310 nan 0.000 0.447 455 S N 1.033 116.711 115.700 -0.038 0.000 2.382 455 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 455 S C 1.893 176.539 174.600 0.075 0.000 1.027 455 S CA 1.528 59.744 58.200 0.027 0.000 0.991 455 S CB -0.397 62.825 63.200 0.037 0.000 0.823 455 S HN 0.520 nan 8.310 nan 0.000 0.469 456 M N 1.112 120.714 119.600 0.004 0.000 2.108 456 M HA -0.097 4.383 4.480 -0.000 0.000 0.261 456 M C 2.522 178.864 176.300 0.071 0.000 1.066 456 M CA 1.575 56.877 55.300 0.004 0.000 1.107 456 M CB -1.034 31.554 32.600 -0.021 0.000 1.356 456 M HN 0.473 nan 8.290 nan 0.000 0.406 457 G N 0.077 108.887 108.800 0.016 0.000 2.505 457 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.220 457 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.220 457 G C 1.622 176.510 174.900 -0.021 0.000 1.145 457 G CA 1.616 46.699 45.100 -0.029 0.000 0.761 457 G HN 0.572 nan 8.290 nan 0.000 0.571 458 S N -0.047 115.648 115.700 -0.008 0.000 2.383 458 S HA 0.008 4.478 4.470 -0.000 0.000 0.227 458 S C 2.149 176.777 174.600 0.045 0.000 1.026 458 S CA 1.088 59.280 58.200 -0.014 0.000 0.981 458 S CB -0.591 62.595 63.200 -0.024 0.000 0.818 458 S HN 0.296 nan 8.310 nan 0.000 0.472 459 F N 1.592 121.520 119.950 -0.036 0.000 2.216 459 F HA 0.089 4.615 4.527 -0.000 0.000 0.300 459 F C 2.199 178.001 175.800 0.003 0.000 1.085 459 F CA 1.130 59.124 58.000 -0.011 0.000 1.326 459 F CB -0.295 38.701 39.000 -0.007 0.000 1.027 459 F HN 0.213 nan 8.300 nan 0.000 0.497 460 I N -1.299 119.359 120.570 0.147 0.000 2.315 460 I HA -0.264 3.906 4.170 -0.000 0.000 0.248 460 I C 2.342 178.499 176.117 0.066 0.000 1.117 460 I CA 0.967 62.323 61.300 0.093 0.000 1.404 460 I CB -0.494 37.547 38.000 0.068 0.000 1.071 460 I HN -0.016 nan 8.210 nan 0.000 0.419 461 S N 0.885 116.612 115.700 0.046 0.000 2.383 461 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 461 S C 1.924 176.553 174.600 0.048 0.000 1.026 461 S CA 1.105 59.341 58.200 0.059 0.000 0.981 461 S CB -0.331 62.901 63.200 0.053 0.000 0.818 461 S HN 0.335 nan 8.310 nan 0.000 0.472 462 L N 1.927 123.138 121.223 -0.020 0.000 2.042 462 L HA -0.114 4.226 4.340 -0.000 0.000 0.210 462 L C 2.157 179.027 176.870 0.001 0.000 1.076 462 L CA 1.937 56.741 54.840 -0.061 0.000 0.749 462 L CB -1.395 40.536 42.059 -0.214 0.000 0.893 462 L HN 0.180 nan 8.230 nan 0.000 0.432 463 T N 0.046 114.619 114.554 0.032 0.000 2.759 463 T HA -0.178 4.172 4.350 -0.000 0.000 0.269 463 T C 1.903 176.673 174.700 0.116 0.000 1.042 463 T CA 1.362 63.502 62.100 0.066 0.000 1.140 463 T CB -0.564 68.353 68.868 0.082 0.000 0.864 463 T HN 0.574 nan 8.240 nan 0.000 0.455 464 A N 0.765 123.674 122.820 0.150 0.000 1.930 464 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 464 A C 2.565 180.336 177.584 0.312 0.000 1.175 464 A CA 1.108 53.312 52.037 0.279 0.000 0.627 464 A CB -0.836 18.303 19.000 0.232 0.000 0.815 464 A HN 0.369 nan 8.150 nan 0.000 0.443 465 V N 0.022 120.044 119.914 0.179 0.000 2.307 465 V HA -0.301 3.819 4.120 -0.000 0.000 0.245 465 V C 2.641 178.767 176.094 0.053 0.000 1.045 465 V CA 2.204 64.569 62.300 0.109 0.000 1.024 465 V CB -0.682 31.174 31.823 0.054 0.000 0.651 465 V HN 0.576 nan 8.190 nan 0.000 0.449 466 M N -0.950 118.676 119.600 0.043 0.000 2.159 466 M HA -0.170 4.310 4.480 -0.000 0.000 0.263 466 M C 2.239 178.569 176.300 0.051 0.000 1.063 466 M CA 1.734 57.048 55.300 0.023 0.000 1.110 466 M CB -0.492 32.110 32.600 0.003 0.000 1.374 466 M HN 0.336 nan 8.290 nan 0.000 0.411 467 L N 0.665 121.942 121.223 0.091 0.000 2.017 467 L HA -0.179 4.161 4.340 -0.000 0.000 0.208 467 L C 2.541 179.445 176.870 0.057 0.000 1.073 467 L CA 1.654 56.565 54.840 0.118 0.000 0.745 467 L CB -0.512 41.668 42.059 0.202 0.000 0.894 467 L HN 0.276 nan 8.230 nan 0.000 0.432 468 M N -1.628 117.919 119.600 -0.087 0.000 2.106 468 M HA -0.248 4.232 4.480 -0.000 0.000 0.259 468 M C 2.031 178.254 176.300 -0.128 0.000 1.068 468 M CA 2.217 57.334 55.300 -0.306 0.000 1.100 468 M CB -0.170 32.198 32.600 -0.387 0.000 1.351 468 M HN 0.183 nan 8.290 nan 0.000 0.404 469 V N 0.607 120.499 119.914 -0.035 0.000 2.295 469 V HA -0.291 3.829 4.120 -0.000 0.000 0.246 469 V C 2.192 178.325 176.094 0.066 0.000 1.049 469 V CA 2.273 64.582 62.300 0.014 0.000 1.024 469 V CB -1.052 30.787 31.823 0.027 0.000 0.648 469 V HN 0.662 nan 8.190 nan 0.000 0.447 470 F N 0.657 120.576 119.950 -0.051 0.000 2.115 470 F HA -0.255 4.272 4.527 -0.000 0.000 0.300 470 F C 2.071 177.860 175.800 -0.018 0.000 1.092 470 F CA 1.895 59.871 58.000 -0.039 0.000 1.245 470 F CB -0.377 38.504 39.000 -0.198 0.000 0.995 470 F HN 0.095 nan 8.300 nan 0.000 0.481 471 I N -0.138 120.171 120.570 -0.434 0.000 2.315 471 I HA -0.279 3.891 4.170 -0.000 0.000 0.248 471 I C 2.363 178.230 176.117 -0.417 0.000 1.117 471 I CA 1.174 62.140 61.300 -0.555 0.000 1.404 471 I CB -0.346 37.519 38.000 -0.224 0.000 1.071 471 I HN 0.179 nan 8.210 nan 0.000 0.419 472 I N -0.642 119.784 120.570 -0.240 0.000 2.286 472 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 472 I C 2.421 178.542 176.117 0.008 0.000 1.104 472 I CA 1.247 62.443 61.300 -0.174 0.000 1.397 472 I CB -0.427 37.595 38.000 0.037 0.000 1.072 472 I HN 0.404 nan 8.210 nan 0.000 0.417 473 W N 2.396 123.626 121.300 -0.117 0.000 2.335 473 W HA -0.263 4.397 4.660 -0.000 0.000 0.311 473 W C 2.495 178.921 176.519 -0.155 0.000 1.213 473 W CA 1.848 59.160 57.345 -0.056 0.000 1.274 473 W CB -0.240 29.165 29.460 -0.091 0.000 1.148 473 W HN 0.067 nan 8.180 nan 0.000 0.498 474 E N 0.451 120.318 120.200 -0.557 0.000 2.160 474 E HA -0.218 4.132 4.350 -0.000 0.000 0.195 474 E C 2.055 178.324 176.600 -0.552 0.000 0.991 474 E CA 1.671 57.605 56.400 -0.778 0.000 0.810 474 E CB -0.419 28.836 29.700 -0.742 0.000 0.742 474 E HN 0.357 nan 8.360 nan 0.000 0.466 475 A N -0.210 122.367 122.820 -0.405 0.000 1.898 475 A HA -0.048 4.272 4.320 -0.000 0.000 0.214 475 A C 2.044 179.427 177.584 -0.334 0.000 1.183 475 A CA 0.709 52.569 52.037 -0.295 0.000 0.622 475 A CB -0.807 18.023 19.000 -0.284 0.000 0.824 475 A HN 0.286 nan 8.150 nan 0.000 0.444 476 F N -0.042 119.749 119.950 -0.266 0.000 2.325 476 F HA -0.011 4.516 4.527 -0.000 0.000 0.299 476 F C 2.685 178.175 175.800 -0.517 0.000 1.090 476 F CA 0.567 58.366 58.000 -0.335 0.000 1.392 476 F CB 0.072 39.018 39.000 -0.089 0.000 1.053 476 F HN 0.283 nan 8.300 nan 0.000 0.521 477 A N -1.121 121.395 122.820 -0.506 0.000 2.015 477 A HA -0.112 4.208 4.320 -0.000 0.000 0.219 477 A C 2.195 179.527 177.584 -0.421 0.000 1.163 477 A CA 1.897 53.555 52.037 -0.631 0.000 0.646 477 A CB -0.592 17.594 19.000 -1.356 0.000 0.806 477 A HN 0.273 nan 8.150 nan 0.000 0.448 478 S N -1.060 114.406 115.700 -0.390 0.000 2.492 478 S HA 0.121 4.591 4.470 -0.000 0.000 0.218 478 S C 0.191 174.659 174.600 -0.221 0.000 1.016 478 S CA 0.035 58.084 58.200 -0.252 0.000 0.916 478 S CB 0.002 63.086 63.200 -0.194 0.000 0.791 478 S HN 0.582 nan 8.310 nan 0.000 0.513 479 K N 1.685 121.859 120.400 -0.378 0.000 3.974 479 K HA -0.176 4.144 4.320 -0.000 0.000 0.280 479 K C -0.965 175.612 176.600 -0.039 0.000 0.949 479 K CA 0.370 56.416 56.287 -0.401 0.000 0.817 479 K CB -1.133 31.227 32.500 -0.233 0.000 1.535 479 K HN 0.359 nan 8.250 nan 0.000 0.444 480 R N 2.077 122.593 120.500 0.026 0.000 2.391 480 R HA 0.109 4.449 4.340 -0.000 0.000 0.310 480 R C -0.210 176.225 176.300 0.226 0.000 1.174 480 R CA -0.350 55.813 56.100 0.106 0.000 1.118 480 R CB 0.460 30.796 30.300 0.060 0.000 1.134 480 R HN 0.297 nan 8.270 nan 0.000 0.524 481 E N 1.712 122.050 120.200 0.230 0.000 2.376 481 E HA 0.032 4.382 4.350 -0.000 0.000 0.266 481 E C 0.028 176.675 176.600 0.079 0.000 1.009 481 E CA -0.250 56.249 56.400 0.166 0.000 0.902 481 E CB 1.139 30.909 29.700 0.116 0.000 0.972 481 E HN 0.163 nan 8.360 nan 0.000 0.439 482 V N 4.892 124.830 119.914 0.039 0.000 2.694 482 V HA -0.117 4.003 4.120 -0.000 0.000 0.306 482 V C 1.245 177.357 176.094 0.029 0.000 1.054 482 V CA 0.711 63.030 62.300 0.033 0.000 1.161 482 V CB 0.445 32.291 31.823 0.038 0.000 0.916 482 V HN 0.723 nan 8.190 nan 0.000 0.490 483 L N 2.581 123.818 121.223 0.023 0.000 2.488 483 L HA 0.256 4.596 4.340 -0.000 0.000 0.186 483 L C 0.858 177.737 176.870 0.016 0.000 1.124 483 L CA 0.784 55.636 54.840 0.021 0.000 0.838 483 L CB 0.445 42.514 42.059 0.016 0.000 1.107 483 L HN 0.660 nan 8.230 nan 0.000 0.494 484 T N -0.529 114.023 114.554 -0.003 0.000 2.903 484 T HA 0.575 4.925 4.350 -0.000 0.000 0.299 484 T C -1.235 173.420 174.700 -0.076 0.000 1.093 484 T CA -0.271 61.816 62.100 -0.021 0.000 1.002 484 T CB 2.875 71.734 68.868 -0.015 0.000 1.127 484 T HN -0.254 nan 8.240 nan 0.000 0.488 485 V N 2.464 122.310 119.914 -0.113 0.000 2.709 485 V HA 0.438 4.558 4.120 -0.000 0.000 0.308 485 V C -0.517 175.482 176.094 -0.158 0.000 1.062 485 V CA -0.840 61.321 62.300 -0.232 0.000 0.901 485 V CB 2.232 33.766 31.823 -0.482 0.000 1.003 485 V HN 0.857 nan 8.190 nan 0.000 0.425 486 D N 2.542 122.851 120.400 -0.152 0.000 2.354 486 D HA 0.468 5.108 4.640 -0.000 0.000 0.247 486 D C 0.775 176.969 176.300 -0.176 0.000 1.138 486 D CA 0.138 54.044 54.000 -0.156 0.000 0.958 486 D CB 0.985 41.662 40.800 -0.205 0.000 1.144 486 D HN 0.543 nan 8.370 nan 0.000 0.458 487 L N 0.722 121.847 121.223 -0.164 0.000 4.089 487 L HA -0.303 4.037 4.340 -0.000 0.000 0.408 487 L C 1.665 178.558 176.870 0.037 0.000 1.184 487 L CA 0.681 55.442 54.840 -0.132 0.000 0.947 487 L CB -2.451 39.380 42.059 -0.380 0.000 2.066 487 L HN 0.588 nan 8.230 nan 0.000 0.851 488 T N -5.137 109.452 114.554 0.058 0.000 2.881 488 T HA -0.189 4.161 4.350 -0.000 0.000 0.270 488 T C 1.748 176.542 174.700 0.158 0.000 1.068 488 T CA 1.569 63.761 62.100 0.153 0.000 1.131 488 T CB -0.444 68.510 68.868 0.144 0.000 0.871 488 T HN 0.606 nan 8.240 nan 0.000 0.479 489 T N 0.711 115.323 114.554 0.096 0.000 2.929 489 T HA -0.079 4.271 4.350 -0.000 0.000 0.271 489 T C 1.645 176.415 174.700 0.116 0.000 1.085 489 T CA 1.408 63.565 62.100 0.094 0.000 1.125 489 T CB -0.916 67.984 68.868 0.054 0.000 0.874 489 T HN 0.658 nan 8.240 nan 0.000 0.494 490 T N -0.887 113.746 114.554 0.131 0.000 3.331 490 T HA 0.373 4.723 4.350 -0.000 0.000 0.282 490 T C -0.044 174.802 174.700 0.243 0.000 1.010 490 T CA -0.864 61.326 62.100 0.149 0.000 0.928 490 T CB -0.189 68.735 68.868 0.092 0.000 1.154 490 T HN 0.294 nan 8.240 nan 0.000 0.516 491 N N 1.294 120.182 118.700 0.315 0.000 2.751 491 N HA 0.145 4.885 4.740 -0.000 0.000 0.234 491 N C 0.210 176.010 175.510 0.484 0.000 1.403 491 N CA -0.264 53.072 53.050 0.477 0.000 0.747 491 N CB 1.747 40.617 38.487 0.639 0.000 1.326 491 N HN 0.066 nan 8.380 nan 0.000 0.532 492 L N 2.146 123.594 121.223 0.376 0.000 2.131 492 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 492 L C 2.423 179.515 176.870 0.369 0.000 1.092 492 L CA 1.996 57.042 54.840 0.342 0.000 0.759 492 L CB -0.150 42.075 42.059 0.276 0.000 0.903 492 L HN 0.427 nan 8.230 nan 0.000 0.435 493 E N -1.392 119.007 120.200 0.332 0.000 2.331 493 E HA -0.287 4.063 4.350 -0.000 0.000 0.199 493 E C 1.498 178.171 176.600 0.121 0.000 1.008 493 E CA 1.558 58.081 56.400 0.206 0.000 0.843 493 E CB -0.898 28.840 29.700 0.064 0.000 0.761 493 E HN 0.711 nan 8.360 nan 0.000 0.507 494 W N 0.048 121.479 121.300 0.219 0.000 3.278 494 W HA 0.232 4.892 4.660 -0.000 0.000 0.308 494 W C 1.557 178.147 176.519 0.117 0.000 1.253 494 W CA -0.607 56.822 57.345 0.140 0.000 1.759 494 W CB 0.171 29.693 29.460 0.104 0.000 1.093 494 W HN 0.055 nan 8.180 nan 0.000 0.648 495 L N 0.992 122.420 121.223 0.341 0.000 2.478 495 L HA 0.061 4.401 4.340 -0.000 0.000 0.223 495 L C 1.205 178.154 176.870 0.132 0.000 1.140 495 L CA 1.459 56.440 54.840 0.235 0.000 0.842 495 L CB -0.592 41.608 42.059 0.235 0.000 0.953 495 L HN -0.006 nan 8.230 nan 0.000 0.452 496 N N 0.162 118.919 118.700 0.094 0.000 2.276 496 N HA 0.184 4.924 4.740 -0.000 0.000 0.212 496 N C 0.833 176.374 175.510 0.052 0.000 1.127 496 N CA 0.757 53.812 53.050 0.009 0.000 0.834 496 N CB 0.434 38.861 38.487 -0.101 0.000 1.014 496 N HN 0.364 nan 8.380 nan 0.000 0.491 497 G N 0.501 109.367 108.800 0.110 0.000 2.741 497 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.222 497 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.222 497 G C -0.795 174.167 174.900 0.103 0.000 1.364 497 G CA -0.511 44.655 45.100 0.111 0.000 0.866 497 G HN 0.327 nan 8.290 nan 0.000 0.555 498 C N 2.255 121.596 119.300 0.068 0.000 2.383 498 C HA 0.677 5.137 4.460 -0.000 0.000 0.330 498 C C -1.509 173.447 174.990 -0.057 0.000 1.168 498 C CA -0.560 58.466 59.018 0.013 0.000 1.374 498 C CB 1.349 29.116 27.740 0.045 0.000 2.014 498 C HN 0.837 nan 8.230 nan 0.000 0.439 499 P HA 0.356 nan 4.420 nan 0.000 0.276 499 P C -2.607 174.738 177.300 0.076 0.000 1.244 499 P CA -1.023 62.091 63.100 0.023 0.000 0.801 499 P CB 0.201 31.950 31.700 0.082 0.000 1.006 500 P HA 0.228 nan 4.420 nan 0.000 0.274 500 P C -2.259 175.074 177.300 0.056 0.000 1.246 500 P CA -1.489 61.662 63.100 0.084 0.000 0.795 500 P CB -1.134 30.631 31.700 0.109 0.000 1.006 501 P HA -0.017 nan 4.420 nan 0.000 0.272 501 P C 0.744 178.043 177.300 -0.002 0.000 1.240 501 P CA -0.115 63.007 63.100 0.036 0.000 0.791 501 P CB 0.520 32.246 31.700 0.044 0.000 0.978 502 Y N 1.267 121.484 120.300 -0.138 0.000 2.069 502 Y HA -0.255 4.295 4.550 -0.000 0.000 0.278 502 Y C 0.936 176.634 175.900 -0.337 0.000 1.175 502 Y CA 1.827 59.750 58.100 -0.294 0.000 1.134 502 Y CB -0.594 37.672 38.460 -0.324 0.000 0.965 502 Y HN 0.418 nan 8.280 nan 0.000 0.498 503 H N -0.210 118.890 119.070 0.051 0.000 2.519 503 H HA 0.355 4.911 4.556 -0.000 0.000 0.316 503 H C -0.133 175.180 175.328 -0.025 0.000 1.065 503 H CA -0.167 55.876 56.048 -0.009 0.000 1.264 503 H CB 1.063 30.863 29.762 0.063 0.000 1.413 503 H HN 0.042 nan 8.280 nan 0.000 0.465 504 T N -0.386 114.220 114.554 0.088 0.000 2.950 504 T HA 0.311 4.662 4.350 -0.000 0.000 0.288 504 T C -0.088 174.634 174.700 0.037 0.000 1.035 504 T CA -1.009 61.050 62.100 -0.069 0.000 1.028 504 T CB 0.877 69.638 68.868 -0.179 0.000 1.109 504 T HN 0.575 nan 8.240 nan 0.000 0.514 505 F N -0.254 119.735 119.950 0.065 0.000 3.090 505 F HA -0.227 4.300 4.527 -0.000 0.000 0.282 505 F C 1.356 177.175 175.800 0.031 0.000 0.923 505 F CA 0.553 58.579 58.000 0.044 0.000 0.977 505 F CB -2.451 36.565 39.000 0.027 0.000 0.954 505 F HN 0.785 nan 8.300 nan 0.000 0.695 506 E N 0.356 120.619 120.200 0.104 0.000 2.118 506 E HA -0.216 4.134 4.350 -0.000 0.000 0.195 506 E C 1.085 177.723 176.600 0.063 0.000 0.992 506 E CA 1.459 57.893 56.400 0.055 0.000 0.804 506 E CB 0.008 29.707 29.700 -0.002 0.000 0.741 506 E HN 0.685 nan 8.360 nan 0.000 0.458 507 E N 1.710 121.957 120.200 0.078 0.000 2.113 507 E HA 0.177 4.527 4.350 -0.000 0.000 0.273 507 E C -2.439 174.258 176.600 0.162 0.000 0.924 507 E CA -2.816 53.639 56.400 0.092 0.000 0.764 507 E CB 1.042 30.782 29.700 0.067 0.000 1.104 507 E HN -0.195 nan 8.360 nan 0.000 0.406 508 P HA 0.012 nan 4.420 nan 0.000 0.271 508 P C -0.429 176.993 177.300 0.202 0.000 1.244 508 P CA -0.314 62.888 63.100 0.171 0.000 0.793 508 P CB 0.356 32.101 31.700 0.075 0.000 0.984 509 T N -1.940 112.729 114.554 0.191 0.000 2.868 509 T HA 0.222 4.572 4.350 -0.000 0.000 0.292 509 T C -0.612 174.187 174.700 0.165 0.000 1.028 509 T CA -0.284 61.936 62.100 0.200 0.000 1.059 509 T CB 0.139 69.096 68.868 0.148 0.000 0.991 509 T HN 0.327 nan 8.240 nan 0.000 0.531 510 Y N 1.363 121.701 120.300 0.062 0.000 2.328 510 Y HA 0.569 5.119 4.550 -0.000 0.000 0.337 510 Y C -1.304 174.617 175.900 0.034 0.000 1.008 510 Y CA -1.067 57.058 58.100 0.041 0.000 1.129 510 Y CB 0.963 39.448 38.460 0.041 0.000 1.185 510 Y HN 0.589 nan 8.280 nan 0.000 0.476 511 V N 6.628 126.327 119.914 -0.358 0.000 2.567 511 V HA 0.258 4.378 4.120 -0.000 0.000 0.298 511 V C -0.684 175.171 176.094 -0.398 0.000 1.047 511 V CA -1.222 60.948 62.300 -0.217 0.000 0.880 511 V CB 1.634 33.399 31.823 -0.096 0.000 1.009 511 V HN 0.872 nan 8.190 nan 0.000 0.429 512 N N 2.709 121.227 118.700 -0.302 0.000 2.467 512 N HA 0.386 5.126 4.740 -0.000 0.000 0.262 512 N C 0.882 176.329 175.510 -0.106 0.000 1.234 512 N CA -0.484 52.439 53.050 -0.212 0.000 0.952 512 N CB 1.312 39.791 38.487 -0.013 0.000 1.158 512 N HN 0.603 nan 8.380 nan 0.000 0.463 513 L N 1.066 122.241 121.223 -0.079 0.000 2.202 513 L HA 0.136 4.476 4.340 -0.000 0.000 0.205 513 L C 0.351 177.214 176.870 -0.011 0.000 1.083 513 L CA 0.668 55.486 54.840 -0.038 0.000 0.790 513 L CB -0.147 41.892 42.059 -0.033 0.000 0.942 513 L HN 0.680 nan 8.230 nan 0.000 0.452 514 K N 0.000 120.399 120.400 -0.002 0.000 2.780 514 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 514 K CA 0.000 56.294 56.287 0.011 0.000 0.838 514 K CB 0.000 32.509 32.500 0.014 0.000 1.064 514 K HN 0.000 nan 8.250 nan 0.000 0.543