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 3f3d_1_A DATA FIRST_RESID 5 DATA SEQUENCE REHWATRLGL ILAMAGNAVG LGNFLRFPVQ AAENGGGAFM IPYIIAFLLV DATA SEQUENCE GIPLMWIEWA MGRYGGAQGH GTTPAIFYLL WRNRFAKILG VFGLWIPLVV DATA SEQUENCE AIYYVYIESW TLGFAIKFLV GLVPEPPPXX TDPDSILRPF KEFLYSYIGV DATA SEQUENCE PKGDEPILKP SLFAYIVFLI TMFINVSILI RGISKGIERF AKIAMPTLFI DATA SEQUENCE LAVFLVIRVF LLETPNGTAA DGLNFLWTPD FEKLKDPGVW IAAVGQIFFT DATA SEQUENCE LSLGFGAIIT YASYVRKDQD IVLSGLTAAT LNEKAEVILG GSISIPAAVA DATA SEQUENCE FFGVANAVAI AKAGAFNLGF ITLPAIFSQT AGGTFLGFLW FFLLFFAGLT DATA SEQUENCE SSIAIMQPMI AFLEDELKLS RKHAVLWTAA IVFFSAHLVM FLNKSLDEMD DATA SEQUENCE FWAGTIGVVF FGLTELIIFF WIFGADKAWE EINRGGIIKV PRIYYYVMRY DATA SEQUENCE ITPAFLAVLL VVWAREYIPK IMEETHWTVW ITRFYIIGLF LFLTFLVFLA DATA SEQUENCE ERRRNHESAG T 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 5 R HA 0.000 nan 4.340 nan 0.000 0.208 5 R C 0.000 176.101 176.300 -0.331 0.000 0.893 5 R CA 0.000 55.977 56.100 -0.205 0.000 0.921 5 R CB 0.000 30.152 30.300 -0.247 0.000 0.687 6 E N 1.893 121.928 120.200 -0.275 0.000 2.418 6 E HA 0.081 4.436 4.350 0.008 0.000 0.261 6 E C -0.756 175.534 176.600 -0.517 0.000 1.070 6 E CA 0.404 56.595 56.400 -0.348 0.000 0.931 6 E CB 0.574 30.017 29.700 -0.429 0.000 0.954 6 E HN 0.421 nan 8.360 nan 0.000 0.439 7 H N -0.340 118.627 119.070 -0.171 0.000 2.930 7 H HA 0.195 4.756 4.556 0.008 0.000 0.371 7 H C -1.156 174.045 175.328 -0.211 0.000 1.169 7 H CA -0.872 55.093 56.048 -0.138 0.000 1.157 7 H CB 0.799 30.558 29.762 -0.005 0.000 1.789 7 H HN 0.432 nan 8.280 nan 0.000 0.547 8 W N 1.835 123.215 121.300 0.133 0.000 2.322 8 W HA 0.234 4.899 4.660 0.009 0.000 0.328 8 W C 1.110 177.659 176.519 0.050 0.000 1.395 8 W CA 0.068 57.437 57.345 0.039 0.000 1.267 8 W CB 0.347 29.832 29.460 0.041 0.000 1.259 8 W HN 0.787 nan 8.180 nan 0.000 0.560 9 A N 2.778 125.733 122.820 0.225 0.000 1.841 9 A HA -0.052 4.273 4.320 0.008 0.000 0.214 9 A C 1.203 178.865 177.584 0.130 0.000 1.195 9 A CA 1.790 53.908 52.037 0.135 0.000 0.611 9 A CB -0.923 18.127 19.000 0.084 0.000 0.835 9 A HN 0.564 nan 8.150 nan 0.000 0.443 10 T N -4.536 110.100 114.554 0.137 0.000 2.950 10 T HA 0.530 4.885 4.350 0.008 0.000 0.288 10 T C 0.598 175.351 174.700 0.089 0.000 1.035 10 T CA -0.356 61.799 62.100 0.092 0.000 1.028 10 T CB 1.998 70.902 68.868 0.060 0.000 1.109 10 T HN 0.299 nan 8.240 nan 0.000 0.514 11 R N -0.296 120.238 120.500 0.056 0.000 2.090 11 R HA 0.020 4.365 4.340 0.008 0.000 0.228 11 R C 2.069 178.371 176.300 0.003 0.000 1.110 11 R CA 0.801 56.923 56.100 0.036 0.000 0.973 11 R CB -0.424 29.894 30.300 0.029 0.000 0.869 11 R HN 0.636 nan 8.270 nan 0.000 0.440 12 L N 0.418 121.642 121.223 0.002 0.000 2.027 12 L HA 0.028 4.373 4.340 0.008 0.000 0.206 12 L C 2.157 179.009 176.870 -0.030 0.000 1.074 12 L CA 2.309 57.140 54.840 -0.015 0.000 0.745 12 L CB -0.966 41.087 42.059 -0.010 0.000 0.898 12 L HN 0.248 nan 8.230 nan 0.000 0.433 13 G N -0.219 108.577 108.800 -0.007 0.000 2.440 13 G HA2 -0.318 3.647 3.960 0.008 0.000 0.218 13 G HA3 -0.318 3.647 3.960 0.008 0.000 0.218 13 G C 1.587 176.405 174.900 -0.137 0.000 1.154 13 G CA 1.079 46.176 45.100 -0.005 0.000 0.767 13 G HN 0.443 nan 8.290 nan 0.000 0.552 14 L N 0.838 121.934 121.223 -0.212 0.000 1.989 14 L HA -0.068 4.277 4.340 0.008 0.000 0.211 14 L C 2.584 179.236 176.870 -0.363 0.000 1.071 14 L CA 1.534 56.020 54.840 -0.591 0.000 0.749 14 L CB -0.424 41.404 42.059 -0.385 0.000 0.890 14 L HN 0.140 nan 8.230 nan 0.000 0.431 15 I N -0.475 120.019 120.570 -0.126 0.000 2.179 15 I HA -0.292 3.883 4.170 0.008 0.000 0.242 15 I C 2.597 178.686 176.117 -0.048 0.000 1.088 15 I CA 1.545 62.826 61.300 -0.032 0.000 1.357 15 I CB -1.163 36.823 38.000 -0.023 0.000 1.051 15 I HN 0.345 nan 8.210 nan 0.000 0.409 16 L N 0.402 121.582 121.223 -0.071 0.000 2.156 16 L HA -0.097 4.248 4.340 0.008 0.000 0.208 16 L C 2.775 179.619 176.870 -0.042 0.000 1.095 16 L CA 0.966 55.776 54.840 -0.050 0.000 0.770 16 L CB -0.623 41.408 42.059 -0.047 0.000 0.914 16 L HN 0.164 nan 8.230 nan 0.000 0.439 17 A N -0.225 122.535 122.820 -0.100 0.000 1.898 17 A HA -0.163 4.162 4.320 0.008 0.000 0.216 17 A C 2.321 179.960 177.584 0.091 0.000 1.181 17 A CA 1.240 53.255 52.037 -0.037 0.000 0.620 17 A CB -0.299 18.534 19.000 -0.279 0.000 0.819 17 A HN 0.233 nan 8.150 nan 0.000 0.442 18 M N -0.509 119.078 119.600 -0.021 0.000 2.229 18 M HA -0.071 4.414 4.480 0.008 0.000 0.264 18 M C 2.455 178.774 176.300 0.031 0.000 1.063 18 M CA 1.418 56.743 55.300 0.042 0.000 1.114 18 M CB -1.074 31.580 32.600 0.089 0.000 1.387 18 M HN 0.508 nan 8.290 nan 0.000 0.420 19 A N 0.140 122.976 122.820 0.026 0.000 1.930 19 A HA 0.036 4.361 4.320 0.008 0.000 0.217 19 A C 2.362 179.951 177.584 0.009 0.000 1.175 19 A CA 1.762 53.808 52.037 0.015 0.000 0.627 19 A CB -1.221 17.783 19.000 0.007 0.000 0.815 19 A HN 0.504 nan 8.150 nan 0.000 0.443 20 G N 0.060 108.871 108.800 0.019 0.000 2.421 20 G HA2 -0.260 3.705 3.960 0.008 0.000 0.217 20 G HA3 -0.260 3.705 3.960 0.008 0.000 0.217 20 G C 1.539 176.432 174.900 -0.011 0.000 1.143 20 G CA 1.046 46.161 45.100 0.026 0.000 0.784 20 G HN 0.533 nan 8.290 nan 0.000 0.541 21 N N 1.692 120.364 118.700 -0.048 0.000 2.018 21 N HA -0.134 4.611 4.740 0.008 0.000 0.196 21 N C 2.438 177.812 175.510 -0.227 0.000 1.043 21 N CA 1.950 54.870 53.050 -0.216 0.000 0.856 21 N CB -0.490 37.774 38.487 -0.372 0.000 1.042 21 N HN 0.241 nan 8.380 nan 0.000 0.423 22 A N 0.930 123.660 122.820 -0.149 0.000 1.874 22 A HA 0.092 4.417 4.320 0.008 0.000 0.214 22 A C 1.027 178.564 177.584 -0.079 0.000 1.189 22 A CA 0.514 52.471 52.037 -0.133 0.000 0.615 22 A CB -0.579 18.379 19.000 -0.070 0.000 0.830 22 A HN 0.101 nan 8.150 nan 0.000 0.443 23 V N 1.005 120.904 119.914 -0.025 0.000 2.390 23 V HA 0.481 4.606 4.120 0.008 0.000 0.260 23 V C 0.852 177.001 176.094 0.091 0.000 1.043 23 V CA 0.406 62.722 62.300 0.026 0.000 1.047 23 V CB -0.332 31.534 31.823 0.072 0.000 1.066 23 V HN 0.594 nan 8.190 nan 0.000 0.481 24 G N 3.038 111.912 108.800 0.124 0.000 3.107 24 G HA2 0.445 4.410 3.960 0.008 0.000 0.233 24 G HA3 0.445 4.410 3.960 0.008 0.000 0.233 24 G C 0.314 175.408 174.900 0.323 0.000 1.168 24 G CA -0.802 44.439 45.100 0.236 0.000 0.801 24 G HN 0.451 nan 8.290 nan 0.000 0.605 25 L N 1.140 122.578 121.223 0.357 0.000 2.362 25 L HA 0.093 4.438 4.340 0.008 0.000 0.219 25 L C 2.839 179.921 176.870 0.352 0.000 1.134 25 L CA 1.042 56.057 54.840 0.291 0.000 0.807 25 L CB -0.425 41.696 42.059 0.103 0.000 0.927 25 L HN 0.597 nan 8.230 nan 0.000 0.447 26 G N 0.310 109.398 108.800 0.479 0.000 2.422 26 G HA2 -0.226 3.739 3.960 0.008 0.000 0.218 26 G HA3 -0.226 3.739 3.960 0.008 0.000 0.218 26 G C 1.317 176.363 174.900 0.243 0.000 1.140 26 G CA 0.692 46.082 45.100 0.484 0.000 0.775 26 G HN 0.385 nan 8.290 nan 0.000 0.545 27 N N 0.065 118.802 118.700 0.061 0.000 2.171 27 N HA 0.020 4.765 4.740 0.008 0.000 0.184 27 N C 1.441 176.782 175.510 -0.283 0.000 1.021 27 N CA 1.014 53.903 53.050 -0.270 0.000 0.854 27 N CB -0.218 37.853 38.487 -0.693 0.000 0.994 27 N HN 0.381 nan 8.380 nan 0.000 0.426 28 F N -0.758 119.297 119.950 0.174 0.000 2.678 28 F HA 0.370 4.901 4.527 0.008 0.000 0.291 28 F C 1.613 177.558 175.800 0.242 0.000 1.123 28 F CA 0.106 58.232 58.000 0.210 0.000 1.395 28 F CB 0.195 39.246 39.000 0.085 0.000 1.121 28 F HN -0.073 nan 8.300 nan 0.000 0.592 29 L N -1.217 120.192 121.223 0.310 0.000 2.515 29 L HA 0.190 4.535 4.340 0.008 0.000 0.202 29 L C 2.444 179.380 176.870 0.111 0.000 1.056 29 L CA 0.344 55.319 54.840 0.226 0.000 0.847 29 L CB -0.214 41.974 42.059 0.215 0.000 1.131 29 L HN -0.116 nan 8.230 nan 0.000 0.484 30 R N -0.054 120.500 120.500 0.090 0.000 2.062 30 R HA -0.130 4.215 4.340 0.008 0.000 0.226 30 R C 2.370 178.661 176.300 -0.014 0.000 1.125 30 R CA 1.341 57.428 56.100 -0.021 0.000 0.966 30 R CB -0.208 30.031 30.300 -0.102 0.000 0.861 30 R HN 0.129 nan 8.270 nan 0.000 0.433 31 F N 2.253 122.164 119.950 -0.064 0.000 2.095 31 F HA -0.074 4.457 4.527 0.008 0.000 0.298 31 F C -1.206 174.460 175.800 -0.223 0.000 1.104 31 F CA 1.236 59.157 58.000 -0.131 0.000 1.232 31 F CB -0.907 38.028 39.000 -0.107 0.000 0.987 31 F HN 0.049 nan 8.300 nan 0.000 0.475 32 P HA -0.161 nan 4.420 nan 0.000 0.215 32 P C 2.114 179.201 177.300 -0.354 0.000 1.153 32 P CA 1.819 64.743 63.100 -0.294 0.000 0.853 32 P CB -0.091 31.587 31.700 -0.036 0.000 0.788 33 V N -0.183 119.573 119.914 -0.263 0.000 2.343 33 V HA -0.246 3.879 4.120 0.008 0.000 0.247 33 V C 2.573 178.442 176.094 -0.375 0.000 1.051 33 V CA 1.726 63.874 62.300 -0.254 0.000 1.036 33 V CB -1.132 30.579 31.823 -0.187 0.000 0.654 33 V HN 0.124 nan 8.190 nan 0.000 0.451 34 Q N -0.012 119.489 119.800 -0.498 0.000 2.050 34 Q HA -0.141 4.204 4.340 0.008 0.000 0.202 34 Q C 2.451 177.752 176.000 -1.165 0.000 0.980 34 Q CA 2.026 57.412 55.803 -0.695 0.000 0.840 34 Q CB -0.798 27.563 28.738 -0.628 0.000 0.898 34 Q HN 0.639 nan 8.270 nan 0.000 0.424 35 A N 1.116 123.087 122.820 -1.416 0.000 1.877 35 A HA -0.080 4.245 4.320 0.008 0.000 0.216 35 A C 2.348 179.537 177.584 -0.658 0.000 1.186 35 A CA 2.052 53.288 52.037 -1.335 0.000 0.620 35 A CB -0.747 17.478 19.000 -1.292 0.000 0.822 35 A HN 0.367 nan 8.150 nan 0.000 0.443 36 A N -0.201 122.372 122.820 -0.412 0.000 1.877 36 A HA -0.175 4.150 4.320 0.008 0.000 0.216 36 A C 1.885 179.427 177.584 -0.071 0.000 1.186 36 A CA 1.639 53.637 52.037 -0.065 0.000 0.620 36 A CB -0.599 18.368 19.000 -0.055 0.000 0.822 36 A HN 0.625 nan 8.150 nan 0.000 0.443 37 E N -0.031 120.057 120.200 -0.186 0.000 2.265 37 E HA -0.112 4.243 4.350 0.008 0.000 0.196 37 E C 0.226 176.758 176.600 -0.113 0.000 0.996 37 E CA 0.853 57.170 56.400 -0.139 0.000 0.832 37 E CB -0.085 29.517 29.700 -0.163 0.000 0.756 37 E HN 0.533 nan 8.360 nan 0.000 0.491 38 N N -0.357 118.239 118.700 -0.173 0.000 2.467 38 N HA 0.094 4.839 4.740 0.008 0.000 0.278 38 N C 0.128 175.585 175.510 -0.087 0.000 1.306 38 N CA 0.491 53.486 53.050 -0.093 0.000 0.905 38 N CB 1.572 40.053 38.487 -0.011 0.000 1.236 38 N HN 0.176 nan 8.380 nan 0.000 0.509 39 G N 0.540 109.294 108.800 -0.077 0.000 2.143 39 G HA2 -0.299 3.666 3.960 0.008 0.000 0.248 39 G HA3 -0.299 3.666 3.960 0.008 0.000 0.248 39 G C 0.974 175.647 174.900 -0.379 0.000 0.991 39 G CA 0.576 45.620 45.100 -0.094 0.000 0.689 39 G HN 0.693 nan 8.290 nan 0.000 0.522 40 G N -0.356 108.083 108.800 -0.603 0.000 3.099 40 G HA2 -0.075 3.890 3.960 0.008 0.000 0.331 40 G HA3 -0.075 3.890 3.960 0.008 0.000 0.331 40 G C 2.070 176.582 174.900 -0.647 0.000 1.216 40 G CA 1.897 46.357 45.100 -1.066 0.000 0.977 40 G HN 1.947 nan 8.290 nan 0.000 0.600 41 G N 0.665 109.104 108.800 -0.601 0.000 2.484 41 G HA2 0.328 4.293 3.960 0.008 0.000 0.218 41 G HA3 0.328 4.293 3.960 0.008 0.000 0.218 41 G C 1.993 176.704 174.900 -0.315 0.000 1.130 41 G CA 2.353 47.215 45.100 -0.396 0.000 0.784 41 G HN 1.726 nan 8.290 nan 0.000 0.543 42 A N 0.381 123.027 122.820 -0.290 0.000 2.015 42 A HA 0.093 4.418 4.320 0.008 0.000 0.219 42 A C 2.026 179.489 177.584 -0.200 0.000 1.163 42 A CA 1.239 53.137 52.037 -0.232 0.000 0.646 42 A CB -0.420 18.479 19.000 -0.167 0.000 0.806 42 A HN 0.424 nan 8.150 nan 0.000 0.448 43 F N -0.441 119.307 119.950 -0.338 0.000 2.367 43 F HA -0.028 4.503 4.527 0.007 0.000 0.298 43 F C 2.043 177.690 175.800 -0.255 0.000 1.094 43 F CA 1.174 58.987 58.000 -0.311 0.000 1.409 43 F CB -0.017 38.771 39.000 -0.352 0.000 1.064 43 F HN 0.064 nan 8.300 nan 0.000 0.528 44 M N -0.007 119.454 119.600 -0.231 0.000 2.200 44 M HA -0.116 4.369 4.480 0.008 0.000 0.265 44 M C 2.207 178.428 176.300 -0.131 0.000 1.066 44 M CA 0.971 56.154 55.300 -0.196 0.000 1.127 44 M CB -1.003 31.449 32.600 -0.247 0.000 1.379 44 M HN 0.122 nan 8.290 nan 0.000 0.420 45 I N 0.729 121.195 120.570 -0.174 0.000 2.099 45 I HA -0.202 3.973 4.170 0.008 0.000 0.239 45 I C -0.375 175.613 176.117 -0.216 0.000 1.066 45 I CA 1.776 63.010 61.300 -0.111 0.000 1.324 45 I CB -2.953 35.008 38.000 -0.065 0.000 1.037 45 I HN 0.112 nan 8.210 nan 0.000 0.401 46 P HA -0.207 nan 4.420 nan 0.000 0.218 46 P C 1.912 178.974 177.300 -0.397 0.000 1.148 46 P CA 1.419 63.997 63.100 -0.871 0.000 0.822 46 P CB -0.225 30.677 31.700 -1.331 0.000 0.784 47 Y N 0.159 120.145 120.300 -0.523 0.000 2.163 47 Y HA -0.148 4.408 4.550 0.009 0.000 0.288 47 Y C 2.083 177.938 175.900 -0.075 0.000 1.136 47 Y CA 1.443 59.330 58.100 -0.355 0.000 1.147 47 Y CB -0.799 37.395 38.460 -0.444 0.000 0.987 47 Y HN -0.195 nan 8.280 nan 0.000 0.509 48 I N -0.244 120.369 120.570 0.072 0.000 2.226 48 I HA -0.315 3.860 4.170 0.008 0.000 0.245 48 I C 2.190 178.367 176.117 0.100 0.000 1.100 48 I CA 1.485 62.854 61.300 0.114 0.000 1.374 48 I CB -0.380 37.718 38.000 0.163 0.000 1.057 48 I HN 0.214 nan 8.210 nan 0.000 0.413 49 I N 0.788 121.404 120.570 0.077 0.000 2.226 49 I HA -0.281 3.894 4.170 0.008 0.000 0.245 49 I C 2.762 178.896 176.117 0.028 0.000 1.100 49 I CA 1.378 62.743 61.300 0.107 0.000 1.374 49 I CB -0.493 37.666 38.000 0.265 0.000 1.057 49 I HN 0.176 nan 8.210 nan 0.000 0.413 50 A N 0.498 123.338 122.820 0.033 0.000 1.930 50 A HA -0.241 4.084 4.320 0.008 0.000 0.217 50 A C 2.227 179.747 177.584 -0.106 0.000 1.175 50 A CA 1.297 53.322 52.037 -0.020 0.000 0.627 50 A CB -0.918 18.122 19.000 0.068 0.000 0.815 50 A HN 0.458 nan 8.150 nan 0.000 0.443 51 F N 0.598 120.376 119.950 -0.287 0.000 2.134 51 F HA -0.128 4.404 4.527 0.008 0.000 0.299 51 F C 1.807 177.494 175.800 -0.188 0.000 1.097 51 F CA 1.706 59.535 58.000 -0.286 0.000 1.264 51 F CB -0.245 38.567 39.000 -0.314 0.000 1.001 51 F HN 0.142 nan 8.300 nan 0.000 0.479 52 L N -0.609 120.504 121.223 -0.184 0.000 2.131 52 L HA -0.129 4.216 4.340 0.008 0.000 0.206 52 L C 2.206 179.017 176.870 -0.099 0.000 1.087 52 L CA 0.859 55.599 54.840 -0.166 0.000 0.767 52 L CB -0.483 41.580 42.059 0.006 0.000 0.917 52 L HN 0.174 nan 8.230 nan 0.000 0.441 53 L N -1.721 119.396 121.223 -0.177 0.000 2.477 53 L HA 0.040 4.385 4.340 0.008 0.000 0.220 53 L C 1.652 178.366 176.870 -0.261 0.000 1.106 53 L CA 0.037 54.740 54.840 -0.228 0.000 0.851 53 L CB 0.503 42.278 42.059 -0.472 0.000 0.994 53 L HN 0.053 nan 8.230 nan 0.000 0.462 54 V N -1.613 118.133 119.914 -0.279 0.000 3.102 54 V HA 0.194 4.319 4.120 0.008 0.000 0.225 54 V C 2.269 178.157 176.094 -0.343 0.000 1.301 54 V CA 0.956 63.106 62.300 -0.250 0.000 1.308 54 V CB -0.159 31.575 31.823 -0.148 0.000 1.129 54 V HN 0.292 nan 8.190 nan 0.000 0.502 55 G N 1.104 109.676 108.800 -0.379 0.000 2.459 55 G HA2 -0.193 3.772 3.960 0.008 0.000 0.217 55 G HA3 -0.193 3.772 3.960 0.008 0.000 0.217 55 G C 1.462 176.029 174.900 -0.555 0.000 1.183 55 G CA 1.304 46.157 45.100 -0.411 0.000 0.776 55 G HN 0.303 nan 8.290 nan 0.000 0.552 56 I N 2.272 122.349 120.570 -0.823 0.000 2.113 56 I HA -0.080 4.095 4.170 0.008 0.000 0.238 56 I C 0.223 175.783 176.117 -0.929 0.000 1.070 56 I CA 1.292 61.955 61.300 -1.062 0.000 1.332 56 I CB -1.975 35.282 38.000 -1.238 0.000 1.044 56 I HN 0.162 nan 8.210 nan 0.000 0.402 57 P HA -0.162 nan 4.420 nan 0.000 0.215 57 P C 2.313 179.537 177.300 -0.128 0.000 1.153 57 P CA 1.562 64.524 63.100 -0.230 0.000 0.853 57 P CB -0.057 31.576 31.700 -0.111 0.000 0.788 58 L N -1.845 119.257 121.223 -0.202 0.000 2.093 58 L HA -0.135 4.210 4.340 0.008 0.000 0.208 58 L C 2.802 179.625 176.870 -0.079 0.000 1.085 58 L CA 1.209 55.970 54.840 -0.132 0.000 0.755 58 L CB -0.705 41.232 42.059 -0.203 0.000 0.904 58 L HN -0.030 nan 8.230 nan 0.000 0.435 59 M N -0.623 118.876 119.600 -0.169 0.000 2.080 59 M HA -0.267 4.218 4.480 0.008 0.000 0.260 59 M C 1.971 178.343 176.300 0.120 0.000 1.068 59 M CA 2.037 57.301 55.300 -0.060 0.000 1.109 59 M CB -0.525 31.922 32.600 -0.256 0.000 1.342 59 M HN 0.160 nan 8.290 nan 0.000 0.405 60 W N 0.357 121.615 121.300 -0.070 0.000 2.355 60 W HA -0.132 4.533 4.660 0.009 0.000 0.309 60 W C 2.363 178.906 176.519 0.041 0.000 1.206 60 W CA 1.352 58.655 57.345 -0.070 0.000 1.284 60 W CB -1.294 28.073 29.460 -0.156 0.000 1.145 60 W HN 0.279 nan 8.180 nan 0.000 0.502 61 I N 0.253 120.974 120.570 0.252 0.000 2.208 61 I HA -0.312 3.863 4.170 0.008 0.000 0.245 61 I C 2.247 178.307 176.117 -0.094 0.000 1.097 61 I CA 1.581 62.932 61.300 0.086 0.000 1.363 61 I CB -0.501 37.563 38.000 0.107 0.000 1.051 61 I HN -0.004 nan 8.210 nan 0.000 0.413 62 E N -0.402 119.823 120.200 0.042 0.000 2.107 62 E HA -0.206 4.149 4.350 0.008 0.000 0.191 62 E C 2.050 178.693 176.600 0.072 0.000 0.982 62 E CA 1.119 57.534 56.400 0.025 0.000 0.809 62 E CB -0.138 29.595 29.700 0.055 0.000 0.756 62 E HN 0.494 nan 8.360 nan 0.000 0.459 63 W N 1.231 122.532 121.300 0.002 0.000 2.358 63 W HA -0.148 4.517 4.660 0.008 0.000 0.303 63 W C 2.573 179.107 176.519 0.025 0.000 1.208 63 W CA 1.406 58.779 57.345 0.046 0.000 1.274 63 W CB -0.572 28.942 29.460 0.091 0.000 1.138 63 W HN 0.075 nan 8.180 nan 0.000 0.515 64 A N -0.304 122.640 122.820 0.208 0.000 1.855 64 A HA -0.211 4.114 4.320 0.008 0.000 0.215 64 A C 1.964 179.526 177.584 -0.037 0.000 1.191 64 A CA 2.009 54.105 52.037 0.098 0.000 0.613 64 A CB -0.946 18.115 19.000 0.102 0.000 0.829 64 A HN 0.234 nan 8.150 nan 0.000 0.442 65 M N -0.394 119.005 119.600 -0.336 0.000 2.082 65 M HA -0.149 4.336 4.480 0.008 0.000 0.258 65 M C 2.300 178.606 176.300 0.009 0.000 1.069 65 M CA 1.556 56.692 55.300 -0.273 0.000 1.102 65 M CB -0.762 31.631 32.600 -0.345 0.000 1.336 65 M HN 0.536 nan 8.290 nan 0.000 0.404 66 G N 0.041 108.845 108.800 0.007 0.000 2.511 66 G HA2 -0.264 3.700 3.960 0.008 0.000 0.216 66 G HA3 -0.264 3.700 3.960 0.008 0.000 0.216 66 G C 1.494 176.430 174.900 0.060 0.000 1.218 66 G CA 1.179 46.292 45.100 0.021 0.000 0.788 66 G HN 0.402 nan 8.290 nan 0.000 0.560 67 R N -0.870 119.698 120.500 0.114 0.000 2.103 67 R HA -0.213 4.132 4.340 0.008 0.000 0.242 67 R C 2.309 178.699 176.300 0.150 0.000 1.142 67 R CA 1.937 58.125 56.100 0.147 0.000 0.960 67 R CB -0.621 29.802 30.300 0.205 0.000 0.858 67 R HN 0.469 nan 8.270 nan 0.000 0.439 68 Y N 0.200 120.535 120.300 0.059 0.000 2.128 68 Y HA -0.130 4.425 4.550 0.008 0.000 0.284 68 Y C 2.154 178.087 175.900 0.055 0.000 1.154 68 Y CA 2.072 60.211 58.100 0.065 0.000 1.149 68 Y CB -0.709 37.789 38.460 0.063 0.000 0.976 68 Y HN 0.192 nan 8.280 nan 0.000 0.505 69 G N -0.828 108.061 108.800 0.149 0.000 2.402 69 G HA2 -0.208 3.757 3.960 0.008 0.000 0.216 69 G HA3 -0.208 3.757 3.960 0.008 0.000 0.216 69 G C 1.879 176.780 174.900 0.002 0.000 1.162 69 G CA 0.659 45.809 45.100 0.084 0.000 0.777 69 G HN 0.605 nan 8.290 nan 0.000 0.539 70 G N 1.079 109.858 108.800 -0.036 0.000 2.432 70 G HA2 0.046 4.011 3.960 0.008 0.000 0.219 70 G HA3 0.046 4.011 3.960 0.008 0.000 0.219 70 G C 1.958 176.817 174.900 -0.068 0.000 1.135 70 G CA 1.370 46.410 45.100 -0.101 0.000 0.767 70 G HN 0.639 nan 8.290 nan 0.000 0.550 71 A N -0.140 122.650 122.820 -0.049 0.000 2.121 71 A HA 0.036 4.361 4.320 0.008 0.000 0.218 71 A C 2.085 179.621 177.584 -0.080 0.000 1.154 71 A CA 1.421 53.429 52.037 -0.048 0.000 0.679 71 A CB -0.117 18.843 19.000 -0.067 0.000 0.795 71 A HN 0.485 nan 8.150 nan 0.000 0.458 72 Q N -1.857 117.885 119.800 -0.096 0.000 2.179 72 Q HA 0.340 4.685 4.340 0.008 0.000 0.213 72 Q C 0.729 176.650 176.000 -0.133 0.000 0.833 72 Q CA 0.215 55.982 55.803 -0.060 0.000 0.990 72 Q CB 0.654 29.390 28.738 -0.002 0.000 1.132 72 Q HN 0.779 nan 8.270 nan 0.000 0.493 73 G N 1.534 110.214 108.800 -0.200 0.000 2.137 73 G HA2 -0.206 3.759 3.960 0.008 0.000 0.237 73 G HA3 -0.206 3.759 3.960 0.008 0.000 0.237 73 G C -0.412 174.163 174.900 -0.543 0.000 1.002 73 G CA -0.277 44.611 45.100 -0.354 0.000 0.702 73 G HN 0.419 nan 8.290 nan 0.000 0.515 74 H N -0.747 118.268 119.070 -0.092 0.000 2.727 74 H HA 0.522 5.082 4.556 0.008 0.000 0.330 74 H C 1.088 176.360 175.328 -0.094 0.000 0.986 74 H CA 0.026 56.032 56.048 -0.069 0.000 1.251 74 H CB 1.490 31.243 29.762 -0.014 0.000 1.493 74 H HN 0.216 nan 8.280 nan 0.000 0.515 75 G N 2.279 111.073 108.800 -0.010 0.000 2.744 75 G HA2 -0.042 3.923 3.960 0.008 0.000 0.211 75 G HA3 -0.042 3.923 3.960 0.008 0.000 0.211 75 G C 0.613 175.519 174.900 0.009 0.000 1.146 75 G CA 0.384 45.431 45.100 -0.088 0.000 0.787 75 G HN 0.580 nan 8.290 nan 0.000 0.534 76 T N -3.264 111.335 114.554 0.075 0.000 2.930 76 T HA 0.448 4.803 4.350 0.008 0.000 0.290 76 T C 1.472 176.183 174.700 0.018 0.000 1.052 76 T CA 0.407 62.544 62.100 0.062 0.000 1.017 76 T CB 1.565 70.498 68.868 0.108 0.000 1.137 76 T HN 0.016 nan 8.240 nan 0.000 0.511 77 T N -2.045 112.457 114.554 -0.086 0.000 2.915 77 T HA 0.061 4.416 4.350 0.008 0.000 0.269 77 T C -1.046 173.481 174.700 -0.288 0.000 1.071 77 T CA 0.718 62.632 62.100 -0.310 0.000 1.132 77 T CB -1.748 66.749 68.868 -0.620 0.000 0.878 77 T HN 0.435 nan 8.240 nan 0.000 0.479 78 P HA -0.029 nan 4.420 nan 0.000 0.215 78 P C 1.836 179.145 177.300 0.014 0.000 1.157 78 P CA 1.735 64.790 63.100 -0.075 0.000 0.874 78 P CB -0.369 31.286 31.700 -0.074 0.000 0.790 79 A N -1.014 121.813 122.820 0.011 0.000 1.872 79 A HA -0.121 4.204 4.320 0.008 0.000 0.214 79 A C 2.239 179.846 177.584 0.039 0.000 1.187 79 A CA 1.293 53.286 52.037 -0.075 0.000 0.614 79 A CB -1.557 17.269 19.000 -0.289 0.000 0.826 79 A HN 0.079 nan 8.150 nan 0.000 0.442 80 I N -1.381 119.250 120.570 0.101 0.000 2.226 80 I HA -0.228 3.947 4.170 0.008 0.000 0.245 80 I C 2.164 178.500 176.117 0.366 0.000 1.100 80 I CA 1.120 62.546 61.300 0.210 0.000 1.374 80 I CB -0.384 37.733 38.000 0.194 0.000 1.057 80 I HN 0.229 nan 8.210 nan 0.000 0.413 81 F N 0.025 120.055 119.950 0.135 0.000 2.202 81 F HA -0.256 4.276 4.527 0.008 0.000 0.301 81 F C 2.443 178.380 175.800 0.228 0.000 1.082 81 F CA 1.128 59.231 58.000 0.172 0.000 1.313 81 F CB -1.208 37.902 39.000 0.183 0.000 1.024 81 F HN 0.107 nan 8.300 nan 0.000 0.495 82 Y N 0.212 120.657 120.300 0.243 0.000 2.263 82 Y HA -0.103 4.452 4.550 0.008 0.000 0.292 82 Y C 2.136 178.120 175.900 0.140 0.000 1.130 82 Y CA 1.183 59.356 58.100 0.121 0.000 1.179 82 Y CB -0.472 38.003 38.460 0.025 0.000 0.998 82 Y HN -0.040 nan 8.280 nan 0.000 0.532 83 L N -0.671 120.652 121.223 0.166 0.000 2.083 83 L HA -0.245 4.100 4.340 0.008 0.000 0.209 83 L C 2.181 179.168 176.870 0.194 0.000 1.083 83 L CA 1.286 56.218 54.840 0.153 0.000 0.752 83 L CB -0.611 41.600 42.059 0.254 0.000 0.899 83 L HN 0.246 nan 8.230 nan 0.000 0.433 84 L N -2.446 118.874 121.223 0.161 0.000 2.270 84 L HA -0.052 4.293 4.340 0.008 0.000 0.210 84 L C 0.398 177.485 176.870 0.362 0.000 1.104 84 L CA 0.255 55.151 54.840 0.093 0.000 0.804 84 L CB -0.062 41.924 42.059 -0.120 0.000 0.937 84 L HN 0.315 nan 8.230 nan 0.000 0.450 85 W N 1.136 122.471 121.300 0.059 0.000 2.740 85 W HA 0.317 4.982 4.660 0.008 0.000 0.316 85 W C -0.403 176.084 176.519 -0.053 0.000 1.020 85 W CA -1.383 55.988 57.345 0.044 0.000 1.278 85 W CB 0.697 30.195 29.460 0.064 0.000 1.224 85 W HN -0.199 nan 8.180 nan 0.000 0.393 86 R N 4.577 125.019 120.500 -0.096 0.000 4.113 86 R HA 0.106 4.451 4.340 0.008 0.000 0.179 86 R C -0.182 175.909 176.300 -0.348 0.000 1.781 86 R CA 0.102 55.900 56.100 -0.504 0.000 1.402 86 R CB -0.728 29.375 30.300 -0.328 0.000 1.375 86 R HN 0.379 nan 8.270 nan 0.000 0.786 87 N N 0.430 118.888 118.700 -0.405 0.000 2.242 87 N HA 0.134 4.879 4.740 0.008 0.000 0.292 87 N C 0.541 176.004 175.510 -0.077 0.000 1.125 87 N CA -0.522 52.290 53.050 -0.397 0.000 0.783 87 N CB 2.134 39.882 38.487 -1.231 0.000 1.558 87 N HN 0.007 nan 8.380 nan 0.000 0.472 88 R N 1.611 122.108 120.500 -0.004 0.000 2.115 88 R HA 0.028 4.373 4.340 0.008 0.000 0.230 88 R C 1.625 177.963 176.300 0.064 0.000 1.111 88 R CA 1.423 57.545 56.100 0.037 0.000 0.976 88 R CB -0.676 29.656 30.300 0.054 0.000 0.870 88 R HN 0.590 nan 8.270 nan 0.000 0.445 89 F N 0.361 120.220 119.950 -0.152 0.000 2.365 89 F HA 0.067 4.599 4.527 0.008 0.000 0.300 89 F C 1.823 177.623 175.800 -0.001 0.000 1.090 89 F CA 0.864 58.826 58.000 -0.063 0.000 1.408 89 F CB -0.387 38.588 39.000 -0.042 0.000 1.060 89 F HN 0.132 nan 8.300 nan 0.000 0.534 90 A N -0.193 122.537 122.820 -0.150 0.000 1.929 90 A HA -0.137 4.188 4.320 0.008 0.000 0.216 90 A C 2.282 180.003 177.584 0.229 0.000 1.176 90 A CA 1.347 53.434 52.037 0.085 0.000 0.628 90 A CB -0.465 18.590 19.000 0.092 0.000 0.816 90 A HN 0.370 nan 8.150 nan 0.000 0.444 91 K N -0.368 120.096 120.400 0.106 0.000 2.097 91 K HA 0.008 4.333 4.320 0.008 0.000 0.205 91 K C 1.702 178.296 176.600 -0.010 0.000 1.050 91 K CA 1.394 57.698 56.287 0.028 0.000 0.938 91 K CB -0.291 32.146 32.500 -0.105 0.000 0.718 91 K HN 0.531 nan 8.250 nan 0.000 0.442 92 I N 0.990 121.552 120.570 -0.013 0.000 2.252 92 I HA -0.258 3.917 4.170 0.008 0.000 0.245 92 I C 2.084 178.231 176.117 0.051 0.000 1.102 92 I CA 1.092 62.378 61.300 -0.023 0.000 1.385 92 I CB -0.219 37.801 38.000 0.034 0.000 1.064 92 I HN 0.092 nan 8.210 nan 0.000 0.414 93 L N 0.586 121.861 121.223 0.087 0.000 2.131 93 L HA -0.133 4.212 4.340 0.008 0.000 0.210 93 L C 2.621 179.832 176.870 0.568 0.000 1.092 93 L CA 1.368 56.462 54.840 0.422 0.000 0.759 93 L CB -1.023 41.239 42.059 0.337 0.000 0.903 93 L HN 0.335 nan 8.230 nan 0.000 0.435 94 G N -0.510 108.463 108.800 0.288 0.000 2.448 94 G HA2 -0.175 3.789 3.960 0.008 0.000 0.219 94 G HA3 -0.175 3.789 3.960 0.008 0.000 0.219 94 G C 1.562 176.365 174.900 -0.161 0.000 1.127 94 G CA 0.750 45.773 45.100 -0.127 0.000 0.766 94 G HN 0.225 nan 8.290 nan 0.000 0.552 95 V N 0.436 120.225 119.914 -0.208 0.000 2.469 95 V HA -0.160 3.965 4.120 0.008 0.000 0.251 95 V C 2.442 178.311 176.094 -0.375 0.000 1.064 95 V CA 1.403 63.411 62.300 -0.487 0.000 1.066 95 V CB -0.683 30.574 31.823 -0.942 0.000 0.667 95 V HN 0.326 nan 8.190 nan 0.000 0.461 96 F N 1.577 121.500 119.950 -0.046 0.000 2.192 96 F HA -0.112 4.420 4.527 0.009 0.000 0.301 96 F C 2.361 177.818 175.800 -0.571 0.000 1.079 96 F CA 1.594 59.552 58.000 -0.070 0.000 1.303 96 F CB -1.076 37.937 39.000 0.021 0.000 1.024 96 F HN 0.244 nan 8.300 nan 0.000 0.494 97 G N -0.898 107.480 108.800 -0.703 0.000 2.848 97 G HA2 0.007 3.972 3.960 0.008 0.000 0.208 97 G HA3 0.007 3.972 3.960 0.008 0.000 0.208 97 G C 1.477 176.230 174.900 -0.245 0.000 1.152 97 G CA 0.290 45.034 45.100 -0.594 0.000 0.789 97 G HN 0.343 nan 8.290 nan 0.000 0.531 98 L N -2.210 118.877 121.223 -0.227 0.000 2.388 98 L HA 0.254 4.599 4.340 0.008 0.000 0.209 98 L C 2.368 179.192 176.870 -0.077 0.000 1.061 98 L CA -0.060 54.667 54.840 -0.188 0.000 0.834 98 L CB -0.175 41.669 42.059 -0.359 0.000 1.029 98 L HN 0.364 nan 8.230 nan 0.000 0.473 99 W N 1.648 122.810 121.300 -0.230 0.000 2.379 99 W HA -0.124 4.541 4.660 0.008 0.000 0.307 99 W C 2.182 178.699 176.519 -0.004 0.000 1.200 99 W CA 1.470 58.757 57.345 -0.097 0.000 1.297 99 W CB -0.123 29.314 29.460 -0.037 0.000 1.140 99 W HN -0.075 nan 8.180 nan 0.000 0.507 100 I N 1.935 122.519 120.570 0.023 0.000 2.118 100 I HA -0.296 3.879 4.170 0.008 0.000 0.241 100 I C -0.343 175.666 176.117 -0.181 0.000 1.070 100 I CA 1.789 62.975 61.300 -0.190 0.000 1.327 100 I CB -1.967 35.953 38.000 -0.134 0.000 1.034 100 I HN -0.047 nan 8.210 nan 0.000 0.405 101 P HA -0.152 nan 4.420 nan 0.000 0.221 101 P C 1.833 179.096 177.300 -0.062 0.000 1.150 101 P CA 1.215 64.303 63.100 -0.019 0.000 0.800 101 P CB 0.043 31.741 31.700 -0.004 0.000 0.787 102 L N -0.028 121.141 121.223 -0.091 0.000 2.044 102 L HA -0.068 4.277 4.340 0.008 0.000 0.205 102 L C 2.455 179.273 176.870 -0.086 0.000 1.075 102 L CA 1.581 56.388 54.840 -0.056 0.000 0.747 102 L CB -1.117 40.929 42.059 -0.022 0.000 0.903 102 L HN -0.254 nan 8.230 nan 0.000 0.435 103 V N -1.288 118.476 119.914 -0.250 0.000 2.427 103 V HA -0.234 3.891 4.120 0.008 0.000 0.248 103 V C 2.459 178.541 176.094 -0.019 0.000 1.051 103 V CA 1.499 63.680 62.300 -0.198 0.000 1.048 103 V CB -0.403 31.090 31.823 -0.551 0.000 0.666 103 V HN 0.314 nan 8.190 nan 0.000 0.456 104 V N 0.455 120.318 119.914 -0.085 0.000 2.295 104 V HA -0.260 3.865 4.120 0.008 0.000 0.246 104 V C 2.755 178.635 176.094 -0.356 0.000 1.049 104 V CA 2.011 64.177 62.300 -0.224 0.000 1.024 104 V CB -1.165 30.659 31.823 0.000 0.000 0.648 104 V HN 0.557 nan 8.190 nan 0.000 0.447 105 A N -0.106 122.629 122.820 -0.142 0.000 1.948 105 A HA -0.233 4.092 4.320 0.008 0.000 0.220 105 A C 2.170 179.779 177.584 0.042 0.000 1.177 105 A CA 2.129 54.141 52.037 -0.043 0.000 0.636 105 A CB -0.638 18.366 19.000 0.005 0.000 0.815 105 A HN 0.534 nan 8.150 nan 0.000 0.449 106 I N -1.245 119.362 120.570 0.061 0.000 2.286 106 I HA -0.303 3.872 4.170 0.008 0.000 0.248 106 I C 2.473 178.694 176.117 0.174 0.000 1.115 106 I CA 1.959 63.347 61.300 0.147 0.000 1.392 106 I CB -0.339 37.762 38.000 0.168 0.000 1.065 106 I HN 0.739 nan 8.210 nan 0.000 0.418 107 Y N -2.131 118.255 120.300 0.144 0.000 2.479 107 Y HA 0.007 4.562 4.550 0.008 0.000 0.283 107 Y C 2.325 178.306 175.900 0.135 0.000 1.109 107 Y CA 0.075 58.252 58.100 0.129 0.000 1.239 107 Y CB -1.135 37.402 38.460 0.129 0.000 1.108 107 Y HN 0.028 nan 8.280 nan 0.000 0.548 108 Y N 1.268 121.344 120.300 -0.373 0.000 2.200 108 Y HA -0.148 4.407 4.550 0.008 0.000 0.290 108 Y C 2.307 178.171 175.900 -0.061 0.000 1.137 108 Y CA 2.066 60.032 58.100 -0.223 0.000 1.163 108 Y CB -0.254 38.023 38.460 -0.305 0.000 0.988 108 Y HN 0.027 nan 8.280 nan 0.000 0.518 109 V N -0.426 119.621 119.914 0.221 0.000 2.490 109 V HA -0.301 3.824 4.120 0.008 0.000 0.250 109 V C 1.937 178.213 176.094 0.304 0.000 1.061 109 V CA 2.019 64.473 62.300 0.258 0.000 1.064 109 V CB -1.042 30.958 31.823 0.295 0.000 0.670 109 V HN 0.531 nan 8.190 nan 0.000 0.461 110 Y N 0.773 121.119 120.300 0.077 0.000 2.163 110 Y HA -0.173 4.383 4.550 0.009 0.000 0.288 110 Y C 2.213 177.760 175.900 -0.588 0.000 1.136 110 Y CA 1.383 59.385 58.100 -0.164 0.000 1.147 110 Y CB -0.327 37.906 38.460 -0.380 0.000 0.987 110 Y HN 0.209 nan 8.280 nan 0.000 0.509 111 I N 0.164 120.166 120.570 -0.947 0.000 2.226 111 I HA -0.297 3.878 4.170 0.008 0.000 0.245 111 I C 2.517 178.252 176.117 -0.636 0.000 1.100 111 I CA 1.850 62.284 61.300 -1.442 0.000 1.374 111 I CB -0.585 36.853 38.000 -0.936 0.000 1.057 111 I HN 0.270 nan 8.210 nan 0.000 0.413 112 E N 1.232 121.236 120.200 -0.326 0.000 2.097 112 E HA -0.307 4.048 4.350 0.008 0.000 0.196 112 E C 2.260 178.965 176.600 0.175 0.000 1.000 112 E CA 2.085 58.469 56.400 -0.027 0.000 0.804 112 E CB -0.018 29.703 29.700 0.036 0.000 0.740 112 E HN 0.558 nan 8.360 nan 0.000 0.454 113 S N -0.415 115.374 115.700 0.147 0.000 2.402 113 S HA -0.146 4.329 4.470 0.008 0.000 0.229 113 S C 1.674 176.471 174.600 0.329 0.000 1.021 113 S CA 0.832 59.196 58.200 0.274 0.000 0.974 113 S CB -0.669 62.789 63.200 0.430 0.000 0.800 113 S HN 0.420 nan 8.310 nan 0.000 0.484 114 W N 2.988 124.287 121.300 -0.002 0.000 2.338 114 W HA -0.052 4.613 4.660 0.008 0.000 0.304 114 W C 3.088 179.607 176.519 0.001 0.000 1.212 114 W CA 1.575 58.874 57.345 -0.077 0.000 1.264 114 W CB -1.885 27.273 29.460 -0.502 0.000 1.142 114 W HN 0.629 nan 8.180 nan 0.000 0.512 115 T N -1.250 113.506 114.554 0.336 0.000 2.867 115 T HA -0.173 4.182 4.350 0.008 0.000 0.268 115 T C 1.933 176.756 174.700 0.205 0.000 1.057 115 T CA 1.379 63.639 62.100 0.266 0.000 1.136 115 T CB -0.744 68.272 68.868 0.247 0.000 0.874 115 T HN -0.005 nan 8.240 nan 0.000 0.466 116 L N 2.034 123.322 121.223 0.109 0.000 2.027 116 L HA 0.303 4.648 4.340 0.008 0.000 0.206 116 L C 2.732 179.664 176.870 0.102 0.000 1.074 116 L CA 2.040 56.783 54.840 -0.161 0.000 0.745 116 L CB -1.251 40.492 42.059 -0.527 0.000 0.898 116 L HN 0.371 nan 8.230 nan 0.000 0.433 117 G N -1.169 107.766 108.800 0.224 0.000 2.421 117 G HA2 -0.297 3.668 3.960 0.008 0.000 0.216 117 G HA3 -0.297 3.668 3.960 0.008 0.000 0.216 117 G C 1.440 176.624 174.900 0.473 0.000 1.171 117 G CA 0.914 46.257 45.100 0.405 0.000 0.775 117 G HN 0.376 nan 8.290 nan 0.000 0.543 118 F N 1.860 121.804 119.950 -0.010 0.000 2.134 118 F HA 0.050 4.582 4.527 0.008 0.000 0.299 118 F C 3.037 178.985 175.800 0.247 0.000 1.097 118 F CA 0.717 58.687 58.000 -0.050 0.000 1.264 118 F CB -0.632 37.813 39.000 -0.925 0.000 1.001 118 F HN 0.248 nan 8.300 nan 0.000 0.479 119 A N 0.394 123.478 122.820 0.440 0.000 1.883 119 A HA -0.188 4.137 4.320 0.008 0.000 0.217 119 A C 2.286 180.254 177.584 0.639 0.000 1.186 119 A CA 1.932 54.336 52.037 0.613 0.000 0.624 119 A CB -1.175 18.116 19.000 0.485 0.000 0.822 119 A HN 0.367 nan 8.150 nan 0.000 0.444 120 I N -0.543 120.308 120.570 0.468 0.000 2.163 120 I HA -0.300 3.875 4.170 0.008 0.000 0.243 120 I C 2.487 178.787 176.117 0.305 0.000 1.085 120 I CA 1.847 63.376 61.300 0.382 0.000 1.347 120 I CB -0.269 37.994 38.000 0.440 0.000 1.044 120 I HN 0.281 nan 8.210 nan 0.000 0.408 121 K N -0.018 120.579 120.400 0.328 0.000 2.097 121 K HA -0.115 4.210 4.320 0.008 0.000 0.205 121 K C 2.030 178.705 176.600 0.124 0.000 1.050 121 K CA 1.373 57.753 56.287 0.154 0.000 0.938 121 K CB -0.164 32.426 32.500 0.149 0.000 0.718 121 K HN 0.124 nan 8.250 nan 0.000 0.442 122 F N 0.740 120.809 119.950 0.198 0.000 2.206 122 F HA -0.113 4.418 4.527 0.008 0.000 0.298 122 F C 2.081 177.982 175.800 0.169 0.000 1.090 122 F CA 0.562 58.704 58.000 0.237 0.000 1.323 122 F CB -0.360 38.908 39.000 0.446 0.000 1.028 122 F HN -0.062 nan 8.300 nan 0.000 0.492 123 L N -0.195 121.180 121.223 0.254 0.000 2.012 123 L HA -0.165 4.180 4.340 0.008 0.000 0.210 123 L C 1.930 178.776 176.870 -0.039 0.000 1.073 123 L CA 1.690 56.452 54.840 -0.131 0.000 0.748 123 L CB -0.703 41.091 42.059 -0.441 0.000 0.891 123 L HN -0.036 nan 8.230 nan 0.000 0.431 124 V N 0.008 119.922 119.914 0.000 0.000 3.541 124 V HA 0.254 4.379 4.120 0.008 0.000 0.267 124 V C 1.689 177.760 176.094 -0.038 0.000 1.213 124 V CA 0.755 63.044 62.300 -0.020 0.000 1.149 124 V CB -0.881 30.933 31.823 -0.014 0.000 0.822 124 V HN 0.737 nan 8.190 nan 0.000 0.462 125 G N 0.899 109.672 108.800 -0.045 0.000 2.143 125 G HA2 -0.265 3.700 3.960 0.008 0.000 0.248 125 G HA3 -0.265 3.700 3.960 0.008 0.000 0.248 125 G C 0.244 175.047 174.900 -0.161 0.000 0.991 125 G CA 0.191 45.234 45.100 -0.095 0.000 0.689 125 G HN 0.505 nan 8.290 nan 0.000 0.522 126 L N 1.022 122.144 121.223 -0.169 0.000 2.533 126 L HA 0.428 4.773 4.340 0.008 0.000 0.239 126 L C 0.939 177.647 176.870 -0.269 0.000 1.376 126 L CA -0.464 54.272 54.840 -0.173 0.000 1.240 126 L CB -0.155 41.822 42.059 -0.138 0.000 1.487 126 L HN 0.291 nan 8.230 nan 0.000 0.419 127 V N -1.751 117.900 119.914 -0.438 0.000 3.046 127 V HA 0.719 4.844 4.120 0.008 0.000 0.316 127 V C -2.337 173.384 176.094 -0.621 0.000 1.104 127 V CA -2.227 59.584 62.300 -0.817 0.000 1.006 127 V CB 1.455 32.628 31.823 -1.084 0.000 1.058 127 V HN 0.130 nan 8.190 nan 0.000 0.440 128 P HA 0.338 nan 4.420 nan 0.000 0.271 128 P C -0.832 176.183 177.300 -0.477 0.000 1.218 128 P CA -0.010 62.721 63.100 -0.614 0.000 0.780 128 P CB 0.582 31.790 31.700 -0.822 0.000 0.901 129 E N 3.317 123.363 120.200 -0.256 0.000 2.092 129 E HA 0.338 4.693 4.350 0.008 0.000 0.271 129 E C -2.081 174.478 176.600 -0.069 0.000 0.919 129 E CA -1.745 54.582 56.400 -0.123 0.000 0.760 129 E CB 0.380 30.032 29.700 -0.081 0.000 1.106 129 E HN 0.397 nan 8.360 nan 0.000 0.408 130 P HA 0.161 nan 4.420 nan 0.000 0.274 130 P C -2.462 174.866 177.300 0.046 0.000 1.237 130 P CA -1.411 61.726 63.100 0.062 0.000 0.793 130 P CB -0.160 31.642 31.700 0.171 0.000 0.977 131 P HA 0.172 nan 4.420 nan 0.000 0.268 131 P C -2.215 175.108 177.300 0.038 0.000 1.204 131 P CA -0.637 62.481 63.100 0.030 0.000 0.768 131 P CB -0.575 31.141 31.700 0.027 0.000 0.842 136 D N 4.983 125.413 120.400 0.049 0.000 2.502 136 D HA 0.100 4.745 4.640 0.008 0.000 0.249 136 D C -0.981 175.375 176.300 0.093 0.000 1.188 136 D CA -1.354 52.682 54.000 0.060 0.000 0.890 136 D CB 1.110 41.938 40.800 0.047 0.000 1.140 136 D HN 0.080 nan 8.370 nan 0.000 0.505 137 P HA -0.159 nan 4.420 nan 0.000 0.218 137 P C 0.566 177.961 177.300 0.157 0.000 1.148 137 P CA 0.971 64.196 63.100 0.208 0.000 0.822 137 P CB 0.356 32.220 31.700 0.274 0.000 0.784 138 D N -0.518 119.940 120.400 0.097 0.000 2.249 138 D HA -0.052 4.593 4.640 0.008 0.000 0.205 138 D C 2.040 178.382 176.300 0.070 0.000 0.962 138 D CA 1.131 55.170 54.000 0.066 0.000 0.860 138 D CB -0.116 40.707 40.800 0.038 0.000 0.955 138 D HN 0.251 nan 8.370 nan 0.000 0.505 139 S N -0.299 115.445 115.700 0.073 0.000 2.522 139 S HA 0.019 4.494 4.470 0.008 0.000 0.227 139 S C 1.956 176.616 174.600 0.099 0.000 0.986 139 S CA 0.255 58.496 58.200 0.069 0.000 0.929 139 S CB -0.130 63.103 63.200 0.054 0.000 0.769 139 S HN 0.199 nan 8.310 nan 0.000 0.529 140 I N 0.221 120.870 120.570 0.132 0.000 2.810 140 I HA 0.156 4.331 4.170 0.008 0.000 0.262 140 I C 2.081 178.353 176.117 0.257 0.000 1.131 140 I CA 0.415 61.828 61.300 0.187 0.000 1.453 140 I CB -0.071 38.028 38.000 0.166 0.000 1.161 140 I HN 0.210 nan 8.210 nan 0.000 0.444 141 L N 0.431 121.769 121.223 0.191 0.000 2.179 141 L HA -0.056 4.289 4.340 0.008 0.000 0.208 141 L C 2.690 179.666 176.870 0.176 0.000 1.096 141 L CA 0.901 55.846 54.840 0.176 0.000 0.779 141 L CB -0.411 41.695 42.059 0.078 0.000 0.922 141 L HN 0.176 nan 8.230 nan 0.000 0.443 142 R N 0.509 121.076 120.500 0.112 0.000 2.073 142 R HA -0.152 4.193 4.340 0.008 0.000 0.234 142 R C -0.433 175.897 176.300 0.050 0.000 1.134 142 R CA 1.615 57.744 56.100 0.048 0.000 0.952 142 R CB -1.054 29.260 30.300 0.024 0.000 0.850 142 R HN 0.215 nan 8.270 nan 0.000 0.433 143 P HA -0.137 nan 4.420 nan 0.000 0.216 143 P C 0.683 177.940 177.300 -0.073 0.000 1.150 143 P CA 1.419 64.490 63.100 -0.050 0.000 0.837 143 P CB -0.090 31.525 31.700 -0.141 0.000 0.786 144 F N -0.064 119.933 119.950 0.079 0.000 2.259 144 F HA -0.025 4.507 4.527 0.009 0.000 0.298 144 F C 2.443 178.364 175.800 0.202 0.000 1.088 144 F CA 1.139 59.239 58.000 0.168 0.000 1.358 144 F CB -0.600 38.501 39.000 0.168 0.000 1.040 144 F HN -0.179 nan 8.300 nan 0.000 0.505 145 K N 0.914 121.438 120.400 0.206 0.000 2.032 145 K HA -0.212 4.113 4.320 0.008 0.000 0.209 145 K C 1.805 178.294 176.600 -0.186 0.000 1.048 145 K CA 1.920 58.161 56.287 -0.077 0.000 0.927 145 K CB -0.173 32.179 32.500 -0.246 0.000 0.712 145 K HN 0.249 nan 8.250 nan 0.000 0.441 146 E N -0.490 119.667 120.200 -0.072 0.000 2.153 146 E HA -0.189 4.166 4.350 0.008 0.000 0.194 146 E C 1.793 178.453 176.600 0.101 0.000 0.988 146 E CA 1.102 57.497 56.400 -0.007 0.000 0.811 146 E CB -0.168 29.531 29.700 -0.002 0.000 0.746 146 E HN 0.333 nan 8.360 nan 0.000 0.466 147 F N 1.171 121.112 119.950 -0.014 0.000 2.146 147 F HA -0.169 4.363 4.527 0.008 0.000 0.298 147 F C 2.062 177.925 175.800 0.104 0.000 1.096 147 F CA 0.945 58.933 58.000 -0.020 0.000 1.275 147 F CB -0.076 38.859 39.000 -0.108 0.000 1.008 147 F HN -0.001 nan 8.300 nan 0.000 0.480 148 L N -0.616 120.825 121.223 0.362 0.000 2.056 148 L HA -0.192 4.153 4.340 0.008 0.000 0.207 148 L C 2.035 179.037 176.870 0.220 0.000 1.078 148 L CA 1.789 56.842 54.840 0.355 0.000 0.749 148 L CB -1.263 41.061 42.059 0.441 0.000 0.901 148 L HN 0.135 nan 8.230 nan 0.000 0.433 149 Y N -0.333 119.960 120.300 -0.012 0.000 2.274 149 Y HA -0.114 4.441 4.550 0.008 0.000 0.290 149 Y C 2.829 178.672 175.900 -0.095 0.000 1.145 149 Y CA 1.050 59.113 58.100 -0.062 0.000 1.203 149 Y CB -1.105 37.344 38.460 -0.018 0.000 0.984 149 Y HN 0.239 nan 8.280 nan 0.000 0.533 150 S N -1.166 114.569 115.700 0.059 0.000 2.406 150 S HA -0.172 4.303 4.470 0.008 0.000 0.228 150 S C 1.813 176.351 174.600 -0.103 0.000 1.020 150 S CA 0.773 58.947 58.200 -0.043 0.000 0.965 150 S CB -0.537 62.617 63.200 -0.076 0.000 0.798 150 S HN 0.543 nan 8.310 nan 0.000 0.488 151 Y N 2.830 122.968 120.300 -0.271 0.000 2.133 151 Y HA -0.059 4.497 4.550 0.009 0.000 0.287 151 Y C 1.985 177.711 175.900 -0.291 0.000 1.134 151 Y CA 1.718 59.641 58.100 -0.295 0.000 1.133 151 Y CB -0.214 38.042 38.460 -0.340 0.000 0.987 151 Y HN 0.319 nan 8.280 nan 0.000 0.502 152 I N -2.968 117.439 120.570 -0.271 0.000 3.226 152 I HA 0.341 4.516 4.170 0.008 0.000 0.277 152 I C 1.340 177.286 176.117 -0.284 0.000 1.243 152 I CA 0.838 61.900 61.300 -0.398 0.000 1.459 152 I CB -0.385 37.212 38.000 -0.672 0.000 1.093 152 I HN 0.295 nan 8.210 nan 0.000 0.453 153 G N 2.476 111.142 108.800 -0.224 0.000 2.303 153 G HA2 -0.181 3.784 3.960 0.008 0.000 0.260 153 G HA3 -0.181 3.784 3.960 0.008 0.000 0.260 153 G C -0.005 174.786 174.900 -0.182 0.000 1.106 153 G CA 0.064 45.061 45.100 -0.172 0.000 0.900 153 G HN 0.275 nan 8.290 nan 0.000 0.495 154 V N 0.953 120.718 119.914 -0.248 0.000 2.720 154 V HA 0.166 4.291 4.120 0.008 0.000 0.307 154 V C -0.861 175.121 176.094 -0.186 0.000 1.071 154 V CA -0.280 61.823 62.300 -0.329 0.000 1.199 154 V CB 0.573 31.946 31.823 -0.750 0.000 0.900 154 V HN 0.385 nan 8.190 nan 0.000 0.494 155 P HA 0.114 nan 4.420 nan 0.000 0.264 155 P C 0.307 177.574 177.300 -0.055 0.000 1.193 155 P CA 0.101 63.146 63.100 -0.091 0.000 0.763 155 P CB 0.389 32.031 31.700 -0.097 0.000 0.810 156 K N 1.397 121.783 120.400 -0.024 0.000 2.352 156 K HA 0.150 4.475 4.320 0.008 0.000 0.194 156 K C 1.298 177.900 176.600 0.003 0.000 1.038 156 K CA 0.419 56.708 56.287 0.003 0.000 1.023 156 K CB 0.426 32.933 32.500 0.011 0.000 0.840 156 K HN 0.579 nan 8.250 nan 0.000 0.519 157 G N 0.698 109.494 108.800 -0.006 0.000 3.341 157 G HA2 0.039 4.004 3.960 0.008 0.000 0.177 157 G HA3 0.039 4.004 3.960 0.008 0.000 0.177 157 G C -0.041 174.855 174.900 -0.007 0.000 1.236 157 G CA -0.213 44.887 45.100 0.000 0.000 0.888 157 G HN -0.058 nan 8.290 nan 0.000 0.644 158 D N 0.131 120.532 120.400 0.001 0.000 2.380 158 D HA 0.065 4.710 4.640 0.008 0.000 0.212 158 D C 0.242 176.535 176.300 -0.011 0.000 1.021 158 D CA 0.210 54.212 54.000 0.003 0.000 0.884 158 D CB 0.718 41.538 40.800 0.035 0.000 1.001 158 D HN 0.386 nan 8.370 nan 0.000 0.506 159 E N 2.828 123.028 120.200 0.001 0.000 2.415 159 E HA 0.047 4.402 4.350 0.008 0.000 0.263 159 E C -1.965 174.596 176.600 -0.065 0.000 0.995 159 E CA -1.144 55.256 56.400 -0.000 0.000 0.915 159 E CB 0.843 30.556 29.700 0.022 0.000 0.951 159 E HN 0.052 nan 8.360 nan 0.000 0.449 160 P HA 0.118 nan 4.420 nan 0.000 0.228 160 P C -0.807 176.425 177.300 -0.114 0.000 1.748 160 P CA 0.232 63.216 63.100 -0.192 0.000 0.909 160 P CB -0.067 31.428 31.700 -0.342 0.000 1.882 161 I N 1.176 121.706 120.570 -0.066 0.000 2.433 161 I HA 0.334 4.509 4.170 0.008 0.000 0.292 161 I C 0.480 176.580 176.117 -0.029 0.000 1.001 161 I CA -1.427 59.862 61.300 -0.020 0.000 1.119 161 I CB 1.968 39.977 38.000 0.014 0.000 1.289 161 I HN -0.053 nan 8.210 nan 0.000 0.438 162 L N 5.807 127.019 121.223 -0.018 0.000 2.360 162 L HA 0.495 4.840 4.340 0.008 0.000 0.271 162 L C 0.551 177.394 176.870 -0.044 0.000 1.057 162 L CA -0.614 54.179 54.840 -0.079 0.000 0.803 162 L CB 0.961 42.931 42.059 -0.148 0.000 1.207 162 L HN 0.351 nan 8.230 nan 0.000 0.445 163 K N 3.018 123.358 120.400 -0.099 0.000 2.753 163 K HA 0.366 4.691 4.320 0.008 0.000 0.185 163 K C -2.592 173.912 176.600 -0.161 0.000 1.071 163 K CA -1.876 54.372 56.287 -0.065 0.000 0.999 163 K CB 1.176 33.665 32.500 -0.019 0.000 1.244 163 K HN 0.153 nan 8.250 nan 0.000 0.594 164 P HA -0.039 nan 4.420 nan 0.000 0.266 164 P C 0.010 177.195 177.300 -0.192 0.000 1.195 164 P CA 0.182 63.106 63.100 -0.293 0.000 0.768 164 P CB 0.543 32.017 31.700 -0.377 0.000 0.838 165 S N 2.798 118.365 115.700 -0.222 0.000 2.584 165 S HA 0.014 4.489 4.470 0.008 0.000 0.270 165 S C 1.170 175.733 174.600 -0.062 0.000 1.346 165 S CA -0.494 57.624 58.200 -0.137 0.000 1.018 165 S CB 0.092 63.199 63.200 -0.156 0.000 0.899 165 S HN 0.363 nan 8.310 nan 0.000 0.542 166 L N 1.660 122.892 121.223 0.016 0.000 2.042 166 L HA 0.040 4.385 4.340 0.008 0.000 0.210 166 L C 2.001 178.961 176.870 0.150 0.000 1.076 166 L CA 1.792 56.684 54.840 0.086 0.000 0.749 166 L CB -1.270 40.837 42.059 0.080 0.000 0.893 166 L HN 0.849 nan 8.230 nan 0.000 0.432 167 F N 0.445 120.384 119.950 -0.018 0.000 2.095 167 F HA -0.247 4.285 4.527 0.008 0.000 0.298 167 F C 2.345 178.134 175.800 -0.017 0.000 1.104 167 F CA 1.761 59.765 58.000 0.006 0.000 1.232 167 F CB -0.817 38.188 39.000 0.008 0.000 0.987 167 F HN 0.167 nan 8.300 nan 0.000 0.475 168 A N -0.766 121.879 122.820 -0.291 0.000 1.908 168 A HA -0.283 4.042 4.320 0.008 0.000 0.218 168 A C 2.166 179.704 177.584 -0.077 0.000 1.181 168 A CA 1.851 53.573 52.037 -0.525 0.000 0.627 168 A CB -1.718 16.664 19.000 -1.029 0.000 0.818 168 A HN 0.620 nan 8.150 nan 0.000 0.445 169 Y N 0.315 120.557 120.300 -0.097 0.000 2.145 169 Y HA -0.156 4.399 4.550 0.008 0.000 0.286 169 Y C 2.048 178.032 175.900 0.140 0.000 1.145 169 Y CA 1.890 60.022 58.100 0.053 0.000 1.148 169 Y CB -0.199 38.289 38.460 0.047 0.000 0.981 169 Y HN 0.272 nan 8.280 nan 0.000 0.507 170 I N -1.259 119.401 120.570 0.150 0.000 2.315 170 I HA -0.265 3.910 4.170 0.008 0.000 0.248 170 I C 2.104 178.189 176.117 -0.053 0.000 1.117 170 I CA 0.930 62.264 61.300 0.056 0.000 1.404 170 I CB -0.434 37.609 38.000 0.071 0.000 1.071 170 I HN 0.049 nan 8.210 nan 0.000 0.419 171 V N 0.534 120.358 119.914 -0.149 0.000 2.515 171 V HA -0.269 3.856 4.120 0.008 0.000 0.250 171 V C 2.231 178.361 176.094 0.061 0.000 1.058 171 V CA 1.593 63.812 62.300 -0.134 0.000 1.064 171 V CB -0.675 30.983 31.823 -0.275 0.000 0.675 171 V HN 0.368 nan 8.190 nan 0.000 0.461 172 F N 0.451 120.388 119.950 -0.022 0.000 2.113 172 F HA -0.141 4.391 4.527 0.008 0.000 0.297 172 F C 2.003 177.825 175.800 0.036 0.000 1.103 172 F CA 1.503 59.531 58.000 0.047 0.000 1.248 172 F CB -0.341 38.679 39.000 0.033 0.000 0.999 172 F HN 0.034 nan 8.300 nan 0.000 0.475 173 L N -0.066 121.079 121.223 -0.130 0.000 2.012 173 L HA -0.278 4.067 4.340 0.008 0.000 0.210 173 L C 2.481 179.262 176.870 -0.147 0.000 1.073 173 L CA 1.740 56.454 54.840 -0.211 0.000 0.748 173 L CB -0.667 41.313 42.059 -0.132 0.000 0.891 173 L HN 0.159 nan 8.230 nan 0.000 0.431 174 I N -1.013 119.518 120.570 -0.065 0.000 2.179 174 I HA -0.306 3.869 4.170 0.008 0.000 0.242 174 I C 2.459 178.627 176.117 0.085 0.000 1.088 174 I CA 1.611 62.925 61.300 0.025 0.000 1.357 174 I CB -0.618 37.389 38.000 0.010 0.000 1.051 174 I HN 0.261 nan 8.210 nan 0.000 0.409 175 T N 0.779 115.353 114.554 0.033 0.000 2.684 175 T HA -0.185 4.170 4.350 0.008 0.000 0.267 175 T C 1.969 176.657 174.700 -0.021 0.000 1.036 175 T CA 1.313 63.466 62.100 0.090 0.000 1.148 175 T CB -0.150 68.806 68.868 0.147 0.000 0.863 175 T HN 0.154 nan 8.240 nan 0.000 0.436 176 M N 0.461 119.942 119.600 -0.198 0.000 2.108 176 M HA -0.012 4.473 4.480 0.008 0.000 0.261 176 M C 2.117 178.361 176.300 -0.093 0.000 1.066 176 M CA 1.383 56.557 55.300 -0.209 0.000 1.107 176 M CB -1.293 31.094 32.600 -0.355 0.000 1.356 176 M HN 0.291 nan 8.290 nan 0.000 0.406 177 F N 0.996 120.842 119.950 -0.174 0.000 2.171 177 F HA -0.164 4.368 4.527 0.008 0.000 0.300 177 F C 2.103 177.848 175.800 -0.091 0.000 1.090 177 F CA 1.379 59.302 58.000 -0.129 0.000 1.293 177 F CB -0.285 38.648 39.000 -0.112 0.000 1.013 177 F HN 0.022 nan 8.300 nan 0.000 0.486 178 I N 0.310 120.834 120.570 -0.077 0.000 2.252 178 I HA -0.314 3.861 4.170 0.008 0.000 0.245 178 I C 2.249 178.199 176.117 -0.279 0.000 1.102 178 I CA 1.232 62.437 61.300 -0.159 0.000 1.385 178 I CB -0.696 37.354 38.000 0.084 0.000 1.064 178 I HN 0.207 nan 8.210 nan 0.000 0.414 179 N N 0.646 119.222 118.700 -0.207 0.000 2.084 179 N HA -0.150 4.595 4.740 0.008 0.000 0.190 179 N C 2.004 177.368 175.510 -0.243 0.000 1.030 179 N CA 1.426 54.344 53.050 -0.220 0.000 0.849 179 N CB -0.130 38.278 38.487 -0.132 0.000 1.012 179 N HN 0.159 nan 8.380 nan 0.000 0.423 180 V N 1.708 121.469 119.914 -0.256 0.000 2.343 180 V HA -0.226 3.899 4.120 0.008 0.000 0.247 180 V C 2.652 178.548 176.094 -0.329 0.000 1.051 180 V CA 2.072 64.217 62.300 -0.257 0.000 1.036 180 V CB -0.747 30.934 31.823 -0.236 0.000 0.654 180 V HN 0.454 nan 8.190 nan 0.000 0.451 181 S N -0.163 115.241 115.700 -0.492 0.000 2.399 181 S HA -0.141 4.334 4.470 0.008 0.000 0.231 181 S C 1.878 176.293 174.600 -0.307 0.000 1.022 181 S CA 1.708 59.630 58.200 -0.463 0.000 0.983 181 S CB -0.574 62.251 63.200 -0.625 0.000 0.803 181 S HN 0.562 nan 8.310 nan 0.000 0.480 182 I N 0.951 121.330 120.570 -0.318 0.000 2.235 182 I HA -0.012 4.163 4.170 0.008 0.000 0.241 182 I C 2.408 178.399 176.117 -0.209 0.000 1.085 182 I CA 0.898 62.031 61.300 -0.279 0.000 1.378 182 I CB -0.340 37.413 38.000 -0.410 0.000 1.076 182 I HN 0.234 nan 8.210 nan 0.000 0.415 183 L N 0.313 121.416 121.223 -0.200 0.000 2.191 183 L HA -0.178 4.167 4.340 0.008 0.000 0.212 183 L C 2.463 179.242 176.870 -0.151 0.000 1.103 183 L CA 1.225 55.971 54.840 -0.156 0.000 0.769 183 L CB -0.269 41.718 42.059 -0.119 0.000 0.908 183 L HN 0.266 nan 8.230 nan 0.000 0.438 184 I N -0.469 120.007 120.570 -0.158 0.000 2.830 184 I HA -0.207 3.968 4.170 0.008 0.000 0.263 184 I C 2.333 178.368 176.117 -0.138 0.000 1.230 184 I CA 0.922 62.138 61.300 -0.140 0.000 1.480 184 I CB -0.024 37.889 38.000 -0.145 0.000 1.095 184 I HN 0.179 nan 8.210 nan 0.000 0.455 185 R N 0.564 120.978 120.500 -0.144 0.000 2.276 185 R HA 0.238 4.583 4.340 0.008 0.000 0.196 185 R C 0.983 177.189 176.300 -0.156 0.000 0.961 185 R CA 0.534 56.556 56.100 -0.131 0.000 1.024 185 R CB 0.167 30.400 30.300 -0.111 0.000 0.940 185 R HN 0.483 nan 8.270 nan 0.000 0.480 186 G N 0.740 109.426 108.800 -0.190 0.000 2.500 186 G HA2 -0.224 3.741 3.960 0.008 0.000 0.209 186 G HA3 -0.224 3.741 3.960 0.008 0.000 0.209 186 G C 0.313 175.005 174.900 -0.347 0.000 1.283 186 G CA -0.540 44.401 45.100 -0.264 0.000 0.960 186 G HN -0.065 nan 8.290 nan 0.000 0.528 187 I N 1.342 121.599 120.570 -0.522 0.000 2.141 187 I HA -0.048 4.127 4.170 0.008 0.000 0.236 187 I C 3.229 179.053 176.117 -0.489 0.000 1.071 187 I CA 2.925 63.766 61.300 -0.765 0.000 1.345 187 I CB -1.694 35.517 38.000 -1.315 0.000 1.066 187 I HN 0.867 nan 8.210 nan 0.000 0.406 188 S N 0.598 116.083 115.700 -0.358 0.000 2.377 188 S HA -0.062 4.413 4.470 0.008 0.000 0.223 188 S C 1.861 176.416 174.600 -0.075 0.000 1.030 188 S CA 0.560 58.674 58.200 -0.143 0.000 0.970 188 S CB -0.336 62.804 63.200 -0.100 0.000 0.830 188 S HN 0.361 nan 8.310 nan 0.000 0.473 189 K N 1.000 121.337 120.400 -0.106 0.000 2.361 189 K HA 0.212 4.537 4.320 0.008 0.000 0.196 189 K C 1.836 178.403 176.600 -0.056 0.000 1.039 189 K CA 0.635 56.883 56.287 -0.066 0.000 1.001 189 K CB 0.006 32.462 32.500 -0.073 0.000 0.795 189 K HN 0.521 nan 8.250 nan 0.000 0.495 190 G N 0.797 109.544 108.800 -0.088 0.000 2.613 190 G HA2 0.015 3.980 3.960 0.008 0.000 0.218 190 G HA3 0.015 3.980 3.960 0.008 0.000 0.218 190 G C 1.304 176.192 174.900 -0.019 0.000 1.508 190 G CA -0.271 44.782 45.100 -0.078 0.000 0.788 190 G HN -0.033 nan 8.290 nan 0.000 0.603 191 I N 0.868 121.405 120.570 -0.054 0.000 2.163 191 I HA -0.143 4.032 4.170 0.008 0.000 0.243 191 I C 2.692 178.898 176.117 0.148 0.000 1.085 191 I CA 1.663 62.987 61.300 0.039 0.000 1.347 191 I CB -0.133 37.844 38.000 -0.038 0.000 1.044 191 I HN 0.336 nan 8.210 nan 0.000 0.408 192 E N 1.012 121.307 120.200 0.158 0.000 2.047 192 E HA -0.203 4.152 4.350 0.008 0.000 0.191 192 E C 2.437 179.102 176.600 0.109 0.000 0.987 192 E CA 0.959 57.481 56.400 0.203 0.000 0.799 192 E CB 0.103 29.967 29.700 0.272 0.000 0.752 192 E HN 0.336 nan 8.360 nan 0.000 0.449 193 R N -0.345 120.206 120.500 0.085 0.000 2.073 193 R HA -0.149 4.196 4.340 0.008 0.000 0.234 193 R C 2.373 178.721 176.300 0.081 0.000 1.134 193 R CA 1.383 57.525 56.100 0.069 0.000 0.952 193 R CB -0.555 29.780 30.300 0.058 0.000 0.850 193 R HN 0.248 nan 8.270 nan 0.000 0.433 194 F N 1.668 121.597 119.950 -0.034 0.000 2.102 194 F HA -0.162 4.370 4.527 0.008 0.000 0.298 194 F C 2.341 178.098 175.800 -0.072 0.000 1.105 194 F CA 1.351 59.309 58.000 -0.070 0.000 1.239 194 F CB -0.405 38.521 39.000 -0.123 0.000 0.991 194 F HN -0.009 nan 8.300 nan 0.000 0.474 195 A N 0.110 122.897 122.820 -0.056 0.000 1.940 195 A HA -0.231 4.094 4.320 0.008 0.000 0.219 195 A C 2.230 179.726 177.584 -0.147 0.000 1.176 195 A CA 1.845 53.809 52.037 -0.122 0.000 0.631 195 A CB -0.729 18.277 19.000 0.011 0.000 0.814 195 A HN 0.470 nan 8.150 nan 0.000 0.446 196 K N -0.918 119.429 120.400 -0.089 0.000 2.283 196 K HA 0.034 4.359 4.320 0.008 0.000 0.202 196 K C 1.462 178.015 176.600 -0.078 0.000 1.048 196 K CA 1.088 57.339 56.287 -0.060 0.000 0.948 196 K CB -0.190 32.300 32.500 -0.017 0.000 0.742 196 K HN 0.590 nan 8.250 nan 0.000 0.458 197 I N -0.226 120.248 120.570 -0.160 0.000 2.556 197 I HA -0.081 4.094 4.170 0.008 0.000 0.251 197 I C 2.320 178.343 176.117 -0.158 0.000 1.105 197 I CA 0.469 61.688 61.300 -0.134 0.000 1.436 197 I CB -0.114 37.806 38.000 -0.134 0.000 1.139 197 I HN 0.008 nan 8.210 nan 0.000 0.438 198 A N 1.038 123.567 122.820 -0.485 0.000 1.873 198 A HA -0.166 4.159 4.320 0.008 0.000 0.215 198 A C 2.324 179.891 177.584 -0.029 0.000 1.186 198 A CA 1.406 53.194 52.037 -0.416 0.000 0.616 198 A CB -0.409 17.914 19.000 -1.129 0.000 0.823 198 A HN 0.225 nan 8.150 nan 0.000 0.442 199 M N -0.545 119.014 119.600 -0.069 0.000 2.067 199 M HA -0.064 4.421 4.480 0.008 0.000 0.260 199 M C -0.273 176.094 176.300 0.112 0.000 1.069 199 M CA 1.527 56.848 55.300 0.035 0.000 1.117 199 M CB -2.604 29.995 32.600 -0.002 0.000 1.334 199 M HN 0.135 nan 8.290 nan 0.000 0.407 200 P HA -0.102 nan 4.420 nan 0.000 0.215 200 P C 1.540 178.962 177.300 0.203 0.000 1.157 200 P CA 1.610 64.798 63.100 0.146 0.000 0.868 200 P CB -0.350 31.401 31.700 0.085 0.000 0.788 201 T N 0.041 114.697 114.554 0.169 0.000 2.684 201 T HA -0.174 4.181 4.350 0.008 0.000 0.267 201 T C 1.770 176.568 174.700 0.165 0.000 1.036 201 T CA 1.051 63.251 62.100 0.168 0.000 1.148 201 T CB -1.055 67.950 68.868 0.228 0.000 0.863 201 T HN 0.057 nan 8.240 nan 0.000 0.436 202 L N -0.028 121.324 121.223 0.215 0.000 2.012 202 L HA -0.089 4.256 4.340 0.008 0.000 0.210 202 L C 2.267 179.254 176.870 0.195 0.000 1.073 202 L CA 1.597 56.548 54.840 0.185 0.000 0.748 202 L CB -0.354 41.834 42.059 0.215 0.000 0.891 202 L HN 0.229 nan 8.230 nan 0.000 0.431 203 F N 0.452 120.460 119.950 0.097 0.000 2.102 203 F HA -0.239 4.292 4.527 0.008 0.000 0.298 203 F C 2.089 177.943 175.800 0.090 0.000 1.105 203 F CA 1.811 59.870 58.000 0.098 0.000 1.239 203 F CB -0.270 38.775 39.000 0.075 0.000 0.991 203 F HN -0.009 nan 8.300 nan 0.000 0.474 204 I N 0.065 120.633 120.570 -0.005 0.000 2.179 204 I HA -0.332 3.843 4.170 0.008 0.000 0.242 204 I C 2.411 178.482 176.117 -0.077 0.000 1.088 204 I CA 1.386 62.624 61.300 -0.103 0.000 1.357 204 I CB -0.626 37.389 38.000 0.026 0.000 1.051 204 I HN 0.173 nan 8.210 nan 0.000 0.409 205 L N 0.413 121.619 121.223 -0.028 0.000 2.042 205 L HA -0.233 4.112 4.340 0.008 0.000 0.210 205 L C 2.809 179.689 176.870 0.017 0.000 1.076 205 L CA 1.455 56.287 54.840 -0.013 0.000 0.749 205 L CB -0.728 41.304 42.059 -0.044 0.000 0.893 205 L HN 0.268 nan 8.230 nan 0.000 0.432 206 A N -0.538 122.266 122.820 -0.027 0.000 1.898 206 A HA -0.121 4.204 4.320 0.008 0.000 0.216 206 A C 2.327 179.911 177.584 -0.001 0.000 1.181 206 A CA 1.573 53.620 52.037 0.016 0.000 0.620 206 A CB -0.754 18.321 19.000 0.125 0.000 0.819 206 A HN 0.175 nan 8.150 nan 0.000 0.442 207 V N -1.147 118.682 119.914 -0.142 0.000 2.295 207 V HA -0.245 3.880 4.120 0.008 0.000 0.246 207 V C 2.286 178.354 176.094 -0.044 0.000 1.049 207 V CA 2.153 64.351 62.300 -0.170 0.000 1.024 207 V CB -0.978 30.604 31.823 -0.402 0.000 0.648 207 V HN 0.626 nan 8.190 nan 0.000 0.447 208 F N 0.219 120.093 119.950 -0.127 0.000 2.126 208 F HA -0.213 4.319 4.527 0.010 0.000 0.299 208 F C 2.031 177.798 175.800 -0.055 0.000 1.096 208 F CA 1.720 59.674 58.000 -0.077 0.000 1.255 208 F CB -0.227 38.733 39.000 -0.067 0.000 0.997 208 F HN 0.028 nan 8.300 nan 0.000 0.479 209 L N -0.938 120.283 121.223 -0.003 0.000 2.056 209 L HA -0.203 4.142 4.340 0.008 0.000 0.207 209 L C 2.372 179.194 176.870 -0.080 0.000 1.078 209 L CA 0.877 55.673 54.840 -0.073 0.000 0.749 209 L CB -0.668 41.437 42.059 0.077 0.000 0.901 209 L HN -0.017 nan 8.230 nan 0.000 0.433 210 V N 0.213 120.115 119.914 -0.020 0.000 2.287 210 V HA -0.336 3.789 4.120 0.008 0.000 0.248 210 V C 2.297 178.382 176.094 -0.015 0.000 1.053 210 V CA 2.062 64.369 62.300 0.011 0.000 1.027 210 V CB -0.378 31.456 31.823 0.019 0.000 0.646 210 V HN 0.314 nan 8.190 nan 0.000 0.447 211 I N -0.354 120.156 120.570 -0.100 0.000 2.127 211 I HA -0.281 3.894 4.170 0.008 0.000 0.241 211 I C 2.737 178.790 176.117 -0.106 0.000 1.075 211 I CA 1.899 63.138 61.300 -0.101 0.000 1.334 211 I CB -0.421 37.482 38.000 -0.160 0.000 1.040 211 I HN 0.227 nan 8.210 nan 0.000 0.405 212 R N 1.003 121.319 120.500 -0.307 0.000 2.083 212 R HA -0.147 4.198 4.340 0.008 0.000 0.237 212 R C 2.081 178.315 176.300 -0.111 0.000 1.137 212 R CA 1.798 57.716 56.100 -0.302 0.000 0.951 212 R CB -0.944 29.042 30.300 -0.523 0.000 0.851 212 R HN 0.173 nan 8.270 nan 0.000 0.434 213 V N 0.507 120.394 119.914 -0.045 0.000 2.490 213 V HA -0.193 3.932 4.120 0.008 0.000 0.250 213 V C 1.998 178.149 176.094 0.095 0.000 1.061 213 V CA 1.811 64.145 62.300 0.057 0.000 1.064 213 V CB -0.699 31.173 31.823 0.081 0.000 0.670 213 V HN 0.317 nan 8.190 nan 0.000 0.461 214 F N 0.153 120.081 119.950 -0.037 0.000 2.333 214 F HA -0.091 4.441 4.527 0.008 0.000 0.300 214 F C 1.766 177.552 175.800 -0.023 0.000 1.083 214 F CA 1.333 59.320 58.000 -0.021 0.000 1.395 214 F CB -0.083 38.899 39.000 -0.029 0.000 1.056 214 F HN 0.081 nan 8.300 nan 0.000 0.529 215 L N 0.083 121.292 121.223 -0.024 0.000 2.599 215 L HA 0.044 4.389 4.340 0.008 0.000 0.230 215 L C 0.290 177.105 176.870 -0.092 0.000 1.141 215 L CA -0.094 54.694 54.840 -0.086 0.000 0.877 215 L CB -0.422 41.617 42.059 -0.033 0.000 1.009 215 L HN -0.067 nan 8.230 nan 0.000 0.447 216 L N 1.173 122.359 121.223 -0.062 0.000 2.360 216 L HA 0.198 4.543 4.340 0.008 0.000 0.276 216 L C 0.109 176.919 176.870 -0.100 0.000 1.121 216 L CA 0.310 55.148 54.840 -0.003 0.000 0.845 216 L CB 0.739 42.885 42.059 0.144 0.000 1.143 216 L HN 0.125 nan 8.230 nan 0.000 0.452 217 E N 2.753 122.864 120.200 -0.149 0.000 2.291 217 E HA 0.469 4.824 4.350 0.008 0.000 0.276 217 E C -1.078 175.342 176.600 -0.301 0.000 0.896 217 E CA -0.577 55.699 56.400 -0.206 0.000 0.774 217 E CB 1.918 31.516 29.700 -0.170 0.000 1.227 217 E HN 0.612 nan 8.360 nan 0.000 0.413 218 T N 0.473 114.812 114.554 -0.358 0.000 2.831 218 T HA 0.502 4.857 4.350 0.008 0.000 0.287 218 T C -2.069 172.470 174.700 -0.269 0.000 1.070 218 T CA -1.657 60.191 62.100 -0.419 0.000 1.010 218 T CB 1.202 69.638 68.868 -0.720 0.000 1.264 218 T HN 0.207 nan 8.240 nan 0.000 0.532 219 P HA 0.015 nan 4.420 nan 0.000 0.221 219 P C 1.014 178.228 177.300 -0.143 0.000 1.145 219 P CA 0.766 63.771 63.100 -0.158 0.000 0.795 219 P CB -0.013 31.606 31.700 -0.134 0.000 0.775 220 N N -0.984 117.609 118.700 -0.178 0.000 2.412 220 N HA 0.128 4.873 4.740 0.008 0.000 0.184 220 N C 1.133 176.573 175.510 -0.117 0.000 1.101 220 N CA 1.088 54.058 53.050 -0.133 0.000 0.881 220 N CB 0.513 38.919 38.487 -0.136 0.000 0.969 220 N HN 0.178 nan 8.380 nan 0.000 0.459 221 G N -0.558 108.156 108.800 -0.143 0.000 2.357 221 G HA2 0.083 4.048 3.960 0.008 0.000 0.289 221 G HA3 0.083 4.048 3.960 0.008 0.000 0.289 221 G C -0.994 173.828 174.900 -0.130 0.000 1.302 221 G CA -0.305 44.728 45.100 -0.112 0.000 0.936 221 G HN 0.180 nan 8.290 nan 0.000 0.513 222 T N -2.659 111.834 114.554 -0.102 0.000 2.910 222 T HA 0.770 5.125 4.350 0.008 0.000 0.287 222 T C 1.623 176.276 174.700 -0.079 0.000 1.050 222 T CA 0.612 62.640 62.100 -0.121 0.000 1.011 222 T CB 1.581 70.355 68.868 -0.157 0.000 1.195 222 T HN 2.090 nan 8.240 nan 0.000 0.540 223 A N 0.379 123.135 122.820 -0.105 0.000 1.972 223 A HA 0.242 4.567 4.320 0.008 0.000 0.219 223 A C 2.527 180.132 177.584 0.035 0.000 1.169 223 A CA 1.809 53.831 52.037 -0.025 0.000 0.635 223 A CB -1.520 17.463 19.000 -0.028 0.000 0.810 223 A HN 1.281 nan 8.150 nan 0.000 0.446 224 A N 0.214 123.015 122.820 -0.032 0.000 1.972 224 A HA -0.193 4.132 4.320 0.008 0.000 0.219 224 A C 1.692 179.331 177.584 0.092 0.000 1.169 224 A CA 1.765 53.843 52.037 0.068 0.000 0.635 224 A CB -0.506 18.501 19.000 0.012 0.000 0.810 224 A HN 0.490 nan 8.150 nan 0.000 0.446 225 D N -0.253 120.177 120.400 0.049 0.000 2.178 225 D HA -0.090 4.555 4.640 0.008 0.000 0.201 225 D C 2.008 178.379 176.300 0.118 0.000 0.980 225 D CA 1.366 55.405 54.000 0.065 0.000 0.842 225 D CB -0.562 40.248 40.800 0.016 0.000 0.948 225 D HN 0.470 nan 8.370 nan 0.000 0.472 226 G N 0.838 109.710 108.800 0.119 0.000 2.402 226 G HA2 -0.159 3.806 3.960 0.008 0.000 0.216 226 G HA3 -0.159 3.806 3.960 0.008 0.000 0.216 226 G C 1.802 176.850 174.900 0.247 0.000 1.162 226 G CA 0.111 45.315 45.100 0.173 0.000 0.777 226 G HN 0.237 nan 8.290 nan 0.000 0.539 227 L N 0.583 121.954 121.223 0.247 0.000 2.141 227 L HA -0.040 4.305 4.340 0.008 0.000 0.209 227 L C 2.651 179.723 176.870 0.337 0.000 1.094 227 L CA 0.626 55.671 54.840 0.343 0.000 0.763 227 L CB -0.371 41.886 42.059 0.331 0.000 0.908 227 L HN 0.113 nan 8.230 nan 0.000 0.437 228 N N 0.188 119.031 118.700 0.238 0.000 2.142 228 N HA -0.219 4.526 4.740 0.008 0.000 0.186 228 N C 1.698 177.312 175.510 0.173 0.000 1.023 228 N CA 1.262 54.428 53.050 0.194 0.000 0.852 228 N CB -0.522 38.052 38.487 0.145 0.000 0.998 228 N HN 0.230 nan 8.380 nan 0.000 0.424 229 F N 1.415 121.387 119.950 0.036 0.000 2.161 229 F HA -0.101 4.429 4.527 0.005 0.000 0.300 229 F C 1.999 177.754 175.800 -0.074 0.000 1.089 229 F CA 0.861 58.849 58.000 -0.021 0.000 1.282 229 F CB -0.328 38.650 39.000 -0.037 0.000 1.010 229 F HN -0.005 nan 8.300 nan 0.000 0.485 230 L N -1.215 119.845 121.223 -0.272 0.000 2.131 230 L HA -0.007 4.338 4.340 0.008 0.000 0.206 230 L C 0.869 177.368 176.870 -0.617 0.000 1.087 230 L CA 1.573 56.065 54.840 -0.581 0.000 0.767 230 L CB -0.676 41.110 42.059 -0.454 0.000 0.917 230 L HN 0.219 nan 8.230 nan 0.000 0.441 231 W N -0.604 120.633 121.300 -0.105 0.000 3.067 231 W HA 0.351 5.014 4.660 0.005 0.000 0.417 231 W C 0.098 176.571 176.519 -0.076 0.000 1.029 231 W CA -0.395 56.909 57.345 -0.068 0.000 1.992 231 W CB 0.180 29.631 29.460 -0.015 0.000 1.122 231 W HN -0.192 nan 8.180 nan 0.000 0.681 232 T N 2.130 116.691 114.554 0.013 0.000 2.772 232 T HA 0.290 4.645 4.350 0.008 0.000 0.288 232 T C -2.419 172.195 174.700 -0.145 0.000 0.994 232 T CA -1.598 60.489 62.100 -0.021 0.000 0.951 232 T CB 1.445 70.314 68.868 0.002 0.000 0.933 232 T HN -0.411 nan 8.240 nan 0.000 0.447 233 P HA 0.292 nan 4.420 nan 0.000 0.271 233 P C -0.714 176.287 177.300 -0.499 0.000 1.218 233 P CA -0.309 62.519 63.100 -0.453 0.000 0.780 233 P CB 0.534 31.834 31.700 -0.666 0.000 0.901 234 D N 1.962 122.038 120.400 -0.540 0.000 2.389 234 D HA 0.189 4.834 4.640 0.008 0.000 0.256 234 D C -0.287 175.827 176.300 -0.310 0.000 1.239 234 D CA -0.440 53.363 54.000 -0.329 0.000 0.925 234 D CB 0.237 40.932 40.800 -0.174 0.000 1.145 234 D HN 0.071 nan 8.370 nan 0.000 0.542 235 F N 1.284 121.243 119.950 0.015 0.000 2.802 235 F HA 0.149 4.680 4.527 0.006 0.000 0.300 235 F C 1.998 177.823 175.800 0.041 0.000 1.168 235 F CA 0.285 58.303 58.000 0.030 0.000 1.433 235 F CB 0.174 39.198 39.000 0.040 0.000 1.115 235 F HN 0.353 nan 8.300 nan 0.000 0.582 236 E N -0.175 120.110 120.200 0.142 0.000 2.474 236 E HA -0.012 4.343 4.350 0.008 0.000 0.194 236 E C 1.643 178.293 176.600 0.084 0.000 1.041 236 E CA 0.160 56.626 56.400 0.110 0.000 0.874 236 E CB 0.180 29.928 29.700 0.080 0.000 0.914 236 E HN 0.193 nan 8.360 nan 0.000 0.498 237 K N 0.207 120.640 120.400 0.054 0.000 2.353 237 K HA 0.142 4.467 4.320 0.008 0.000 0.195 237 K C 1.683 178.326 176.600 0.070 0.000 1.031 237 K CA 0.030 56.339 56.287 0.036 0.000 1.079 237 K CB 0.465 32.948 32.500 -0.028 0.000 0.857 237 K HN 0.175 nan 8.250 nan 0.000 0.535 238 L N 0.558 121.860 121.223 0.132 0.000 2.362 238 L HA -0.119 4.226 4.340 0.008 0.000 0.219 238 L C 1.323 178.457 176.870 0.441 0.000 1.134 238 L CA 1.031 56.042 54.840 0.286 0.000 0.807 238 L CB -0.071 42.186 42.059 0.330 0.000 0.927 238 L HN -0.055 nan 8.230 nan 0.000 0.447 239 K N -0.941 119.618 120.400 0.264 0.000 2.374 239 K HA 0.052 4.377 4.320 0.008 0.000 0.196 239 K C 0.176 176.892 176.600 0.193 0.000 1.023 239 K CA 0.055 56.466 56.287 0.207 0.000 1.103 239 K CB 0.054 32.633 32.500 0.132 0.000 0.848 239 K HN -0.018 nan 8.250 nan 0.000 0.528 240 D N 0.441 120.972 120.400 0.218 0.000 2.313 240 D HA 0.094 4.739 4.640 0.008 0.000 0.239 240 D C -1.986 174.478 176.300 0.274 0.000 1.142 240 D CA -2.176 51.933 54.000 0.182 0.000 0.847 240 D CB 1.659 42.527 40.800 0.114 0.000 1.082 240 D HN -0.108 nan 8.370 nan 0.000 0.480 241 P HA 0.027 nan 4.420 nan 0.000 0.223 241 P C 1.304 178.688 177.300 0.140 0.000 1.151 241 P CA 0.484 63.706 63.100 0.204 0.000 0.787 241 P CB 0.324 32.101 31.700 0.129 0.000 0.788 242 G N 0.017 108.886 108.800 0.115 0.000 2.422 242 G HA2 -0.210 3.755 3.960 0.008 0.000 0.218 242 G HA3 -0.210 3.755 3.960 0.008 0.000 0.218 242 G C 1.571 176.450 174.900 -0.035 0.000 1.146 242 G CA 0.626 45.720 45.100 -0.009 0.000 0.769 242 G HN 0.153 nan 8.290 nan 0.000 0.547 243 V N -0.431 119.495 119.914 0.020 0.000 2.307 243 V HA -0.151 3.974 4.120 0.008 0.000 0.245 243 V C 2.433 178.475 176.094 -0.088 0.000 1.045 243 V CA 1.689 63.972 62.300 -0.029 0.000 1.024 243 V CB -0.689 31.069 31.823 -0.110 0.000 0.651 243 V HN 0.560 nan 8.190 nan 0.000 0.449 244 W N -0.026 121.242 121.300 -0.054 0.000 2.335 244 W HA -0.147 4.518 4.660 0.009 0.000 0.311 244 W C 2.342 178.799 176.519 -0.103 0.000 1.213 244 W CA 1.300 58.606 57.345 -0.063 0.000 1.274 244 W CB -0.478 28.936 29.460 -0.077 0.000 1.148 244 W HN 0.157 nan 8.180 nan 0.000 0.498 245 I N -0.056 120.515 120.570 0.002 0.000 2.226 245 I HA -0.319 3.856 4.170 0.008 0.000 0.245 245 I C 2.556 178.548 176.117 -0.208 0.000 1.100 245 I CA 1.402 62.526 61.300 -0.294 0.000 1.374 245 I CB -0.905 36.674 38.000 -0.701 0.000 1.057 245 I HN -0.020 nan 8.210 nan 0.000 0.413 246 A N 0.647 123.419 122.820 -0.080 0.000 1.902 246 A HA -0.138 4.187 4.320 0.008 0.000 0.217 246 A C 2.540 180.305 177.584 0.303 0.000 1.181 246 A CA 1.796 53.894 52.037 0.103 0.000 0.623 246 A CB -0.843 18.259 19.000 0.170 0.000 0.818 246 A HN 0.418 nan 8.150 nan 0.000 0.443 247 A N -0.616 122.302 122.820 0.162 0.000 1.898 247 A HA 0.022 4.347 4.320 0.008 0.000 0.216 247 A C 2.204 179.908 177.584 0.199 0.000 1.181 247 A CA 1.784 53.817 52.037 -0.007 0.000 0.620 247 A CB -0.836 17.907 19.000 -0.429 0.000 0.819 247 A HN 0.394 nan 8.150 nan 0.000 0.442 248 V N -0.157 119.905 119.914 0.246 0.000 2.453 248 V HA -0.118 4.007 4.120 0.008 0.000 0.247 248 V C 2.788 179.184 176.094 0.503 0.000 1.048 248 V CA 1.721 64.250 62.300 0.382 0.000 1.049 248 V CB -1.384 30.709 31.823 0.451 0.000 0.672 248 V HN 0.597 nan 8.190 nan 0.000 0.457 249 G N -0.629 108.405 108.800 0.389 0.000 2.422 249 G HA2 -0.341 3.624 3.960 0.008 0.000 0.218 249 G HA3 -0.341 3.624 3.960 0.008 0.000 0.218 249 G C 1.536 176.742 174.900 0.511 0.000 1.146 249 G CA 1.098 46.465 45.100 0.443 0.000 0.769 249 G HN 0.501 nan 8.290 nan 0.000 0.547 250 Q N 0.132 120.218 119.800 0.478 0.000 2.079 250 Q HA -0.007 4.338 4.340 0.008 0.000 0.200 250 Q C 2.443 178.766 176.000 0.538 0.000 0.974 250 Q CA 0.827 56.954 55.803 0.541 0.000 0.840 250 Q CB -0.303 28.840 28.738 0.676 0.000 0.898 250 Q HN 0.364 nan 8.270 nan 0.000 0.430 251 I N 0.074 120.890 120.570 0.411 0.000 2.163 251 I HA -0.251 3.924 4.170 0.008 0.000 0.243 251 I C 1.920 178.184 176.117 0.245 0.000 1.085 251 I CA 1.375 62.802 61.300 0.211 0.000 1.347 251 I CB -1.179 36.837 38.000 0.028 0.000 1.044 251 I HN 0.214 nan 8.210 nan 0.000 0.408 252 F N 0.366 120.490 119.950 0.289 0.000 2.046 252 F HA -0.293 4.239 4.527 0.008 0.000 0.297 252 F C 2.568 178.637 175.800 0.449 0.000 1.123 252 F CA 2.009 60.205 58.000 0.328 0.000 1.199 252 F CB -0.938 38.259 39.000 0.329 0.000 0.972 252 F HN -0.067 nan 8.300 nan 0.000 0.474 253 F N 0.166 120.476 119.950 0.601 0.000 2.095 253 F HA -0.283 4.249 4.527 0.009 0.000 0.298 253 F C 2.717 178.658 175.800 0.235 0.000 1.104 253 F CA 2.197 60.512 58.000 0.524 0.000 1.232 253 F CB -0.853 38.414 39.000 0.445 0.000 0.987 253 F HN -0.093 nan 8.300 nan 0.000 0.475 254 T N -0.100 114.719 114.554 0.443 0.000 2.867 254 T HA -0.081 4.274 4.350 0.008 0.000 0.268 254 T C 1.706 176.437 174.700 0.051 0.000 1.057 254 T CA 1.344 63.594 62.100 0.250 0.000 1.136 254 T CB -0.293 68.743 68.868 0.280 0.000 0.874 254 T HN 0.234 nan 8.240 nan 0.000 0.466 255 L N 0.635 121.890 121.223 0.054 0.000 2.592 255 L HA 0.292 4.637 4.340 0.008 0.000 0.227 255 L C 0.960 177.786 176.870 -0.073 0.000 1.127 255 L CA -0.046 54.787 54.840 -0.011 0.000 0.884 255 L CB 0.076 42.136 42.059 0.001 0.000 1.065 255 L HN 0.109 nan 8.230 nan 0.000 0.457 256 S N 0.435 116.035 115.700 -0.166 0.000 3.635 256 S HA -0.151 4.324 4.470 0.008 0.000 0.328 256 S C 0.254 174.946 174.600 0.154 0.000 1.135 256 S CA 0.360 58.371 58.200 -0.315 0.000 0.942 256 S CB -1.841 61.102 63.200 -0.429 0.000 0.930 256 S HN 0.287 nan 8.310 nan 0.000 0.512 257 L N 0.444 121.859 121.223 0.319 0.000 2.326 257 L HA 0.583 4.928 4.340 0.008 0.000 0.278 257 L C 1.525 178.761 176.870 0.610 0.000 1.092 257 L CA 0.356 55.385 54.840 0.315 0.000 0.810 257 L CB 0.795 42.831 42.059 -0.038 0.000 1.153 257 L HN 0.438 nan 8.230 nan 0.000 0.439 258 G N 1.882 110.978 108.800 0.494 0.000 2.162 258 G HA2 -0.321 3.644 3.960 0.008 0.000 0.260 258 G HA3 -0.321 3.644 3.960 0.008 0.000 0.260 258 G C 0.364 175.437 174.900 0.289 0.000 0.976 258 G CA 0.273 45.677 45.100 0.507 0.000 0.655 258 G HN 0.587 nan 8.290 nan 0.000 0.533 259 F N 0.389 120.460 119.950 0.201 0.000 2.721 259 F HA 0.396 4.927 4.527 0.008 0.000 0.301 259 F C 2.166 177.968 175.800 0.003 0.000 1.096 259 F CA 0.882 58.904 58.000 0.035 0.000 1.308 259 F CB 0.684 39.636 39.000 -0.080 0.000 1.086 259 F HN 0.622 nan 8.300 nan 0.000 0.587 260 G N 0.560 109.523 108.800 0.270 0.000 2.166 260 G HA2 -0.352 3.613 3.960 0.008 0.000 0.260 260 G HA3 -0.352 3.613 3.960 0.008 0.000 0.260 260 G C 1.138 176.088 174.900 0.083 0.000 0.986 260 G CA 0.533 45.744 45.100 0.184 0.000 0.683 260 G HN 0.539 nan 8.290 nan 0.000 0.527 261 A N -0.367 122.476 122.820 0.039 0.000 1.973 261 A HA 0.517 4.842 4.320 0.008 0.000 0.210 261 A C 2.262 179.725 177.584 -0.203 0.000 1.200 261 A CA 1.409 53.378 52.037 -0.113 0.000 0.707 261 A CB -0.117 18.740 19.000 -0.239 0.000 0.862 261 A HN 0.390 nan 8.150 nan 0.000 0.461 262 I N 0.667 121.140 120.570 -0.162 0.000 2.226 262 I HA -0.218 3.957 4.170 0.008 0.000 0.245 262 I C 2.348 178.358 176.117 -0.178 0.000 1.100 262 I CA 1.282 62.451 61.300 -0.219 0.000 1.374 262 I CB -1.179 36.736 38.000 -0.142 0.000 1.057 262 I HN 0.294 nan 8.210 nan 0.000 0.413 263 I N 0.511 121.046 120.570 -0.060 0.000 2.179 263 I HA -0.303 3.872 4.170 0.008 0.000 0.242 263 I C 2.495 178.611 176.117 -0.002 0.000 1.088 263 I CA 1.628 62.914 61.300 -0.024 0.000 1.357 263 I CB -0.692 37.331 38.000 0.039 0.000 1.051 263 I HN 0.194 nan 8.210 nan 0.000 0.409 264 T N -0.146 114.438 114.554 0.049 0.000 2.708 264 T HA -0.205 4.150 4.350 0.008 0.000 0.266 264 T C 1.852 176.697 174.700 0.242 0.000 1.037 264 T CA 1.451 63.613 62.100 0.103 0.000 1.146 264 T CB -0.415 68.556 68.868 0.172 0.000 0.865 264 T HN 0.165 nan 8.240 nan 0.000 0.435 265 Y N 1.562 121.935 120.300 0.122 0.000 2.165 265 Y HA 0.009 4.564 4.550 0.008 0.000 0.286 265 Y C 2.731 178.809 175.900 0.296 0.000 1.155 265 Y CA 0.170 58.479 58.100 0.349 0.000 1.164 265 Y CB -1.128 37.427 38.460 0.158 0.000 0.978 265 Y HN 0.219 nan 8.280 nan 0.000 0.513 266 A N -0.668 122.193 122.820 0.067 0.000 2.067 266 A HA -0.138 4.187 4.320 0.008 0.000 0.219 266 A C 2.354 179.974 177.584 0.060 0.000 1.158 266 A CA 1.568 53.568 52.037 -0.062 0.000 0.661 266 A CB -0.965 17.892 19.000 -0.239 0.000 0.801 266 A HN 0.450 nan 8.150 nan 0.000 0.452 267 S N -1.650 114.006 115.700 -0.074 0.000 2.555 267 S HA -0.068 4.407 4.470 0.008 0.000 0.230 267 S C 1.114 175.475 174.600 -0.398 0.000 0.978 267 S CA 0.788 58.841 58.200 -0.246 0.000 0.934 267 S CB -0.657 62.310 63.200 -0.388 0.000 0.766 267 S HN 0.572 nan 8.310 nan 0.000 0.533 268 Y N 0.867 121.199 120.300 0.054 0.000 2.458 268 Y HA 0.463 5.017 4.550 0.008 0.000 0.256 268 Y C 0.575 176.611 175.900 0.226 0.000 1.159 268 Y CA -0.847 57.180 58.100 -0.121 0.000 1.261 268 Y CB 0.095 38.155 38.460 -0.666 0.000 1.119 268 Y HN 0.092 nan 8.280 nan 0.000 0.524 269 V N 2.479 122.687 119.914 0.490 0.000 2.488 269 V HA 0.144 4.269 4.120 0.008 0.000 0.277 269 V C 0.537 176.829 176.094 0.331 0.000 1.046 269 V CA -1.070 61.518 62.300 0.480 0.000 0.986 269 V CB 0.566 32.621 31.823 0.386 0.000 0.989 269 V HN 0.237 nan 8.190 nan 0.000 0.475 270 R N 3.275 123.901 120.500 0.209 0.000 2.638 270 R HA -0.018 4.327 4.340 0.008 0.000 0.268 270 R C 1.565 177.907 176.300 0.070 0.000 1.006 270 R CA -0.072 56.025 56.100 -0.005 0.000 1.088 270 R CB 0.434 30.628 30.300 -0.176 0.000 0.950 270 R HN 0.664 nan 8.270 nan 0.000 0.419 271 K N 2.158 122.589 120.400 0.053 0.000 2.173 271 K HA -0.231 4.094 4.320 0.008 0.000 0.207 271 K C 0.988 177.627 176.600 0.065 0.000 1.046 271 K CA 2.201 58.528 56.287 0.067 0.000 0.929 271 K CB 0.087 32.613 32.500 0.042 0.000 0.720 271 K HN 0.701 nan 8.250 nan 0.000 0.453 272 D N -0.411 120.013 120.400 0.039 0.000 2.271 272 D HA -0.129 4.515 4.640 0.008 0.000 0.206 272 D C 0.597 176.922 176.300 0.042 0.000 0.967 272 D CA 0.074 54.094 54.000 0.033 0.000 0.867 272 D CB -0.254 40.553 40.800 0.012 0.000 0.960 272 D HN 0.266 nan 8.370 nan 0.000 0.509 273 Q N 1.411 121.246 119.800 0.058 0.000 2.395 273 Q HA -0.004 4.341 4.340 0.008 0.000 0.271 273 Q C -0.565 175.483 176.000 0.080 0.000 1.026 273 Q CA -0.148 55.699 55.803 0.072 0.000 0.900 273 Q CB 0.746 29.549 28.738 0.108 0.000 1.266 273 Q HN 0.085 nan 8.270 nan 0.000 0.430 274 D N 1.810 122.241 120.400 0.051 0.000 2.455 274 D HA 0.015 4.660 4.640 0.008 0.000 0.241 274 D C 0.609 176.932 176.300 0.038 0.000 1.138 274 D CA 0.301 54.310 54.000 0.015 0.000 0.877 274 D CB 0.456 41.244 40.800 -0.021 0.000 1.187 274 D HN 0.542 nan 8.370 nan 0.000 0.451 275 I N 0.499 121.064 120.570 -0.008 0.000 4.456 275 I HA 0.115 4.290 4.170 0.008 0.000 0.329 275 I C 1.039 176.994 176.117 -0.270 0.000 1.313 275 I CA -0.482 60.779 61.300 -0.066 0.000 1.205 275 I CB 0.257 38.394 38.000 0.229 0.000 1.179 275 I HN 0.279 nan 8.210 nan 0.000 0.419 276 V N 1.569 121.359 119.914 -0.207 0.000 2.244 276 V HA -0.206 3.919 4.120 0.008 0.000 0.244 276 V C 2.488 178.571 176.094 -0.018 0.000 1.042 276 V CA 2.157 64.322 62.300 -0.224 0.000 1.006 276 V CB -0.562 31.024 31.823 -0.394 0.000 0.641 276 V HN 0.469 nan 8.190 nan 0.000 0.446 277 L N -0.013 121.153 121.223 -0.095 0.000 2.109 277 L HA -0.062 4.283 4.340 0.008 0.000 0.207 277 L C 2.486 179.266 176.870 -0.150 0.000 1.086 277 L CA 1.890 56.689 54.840 -0.068 0.000 0.760 277 L CB -0.537 41.487 42.059 -0.059 0.000 0.910 277 L HN 0.259 nan 8.230 nan 0.000 0.437 278 S N -0.295 115.250 115.700 -0.258 0.000 2.368 278 S HA -0.099 4.376 4.470 0.008 0.000 0.225 278 S C 1.861 176.052 174.600 -0.682 0.000 1.030 278 S CA 1.125 59.102 58.200 -0.371 0.000 0.999 278 S CB -0.876 62.132 63.200 -0.321 0.000 0.844 278 S HN 0.681 nan 8.310 nan 0.000 0.459 279 G N 1.292 109.414 108.800 -1.130 0.000 2.403 279 G HA2 -0.106 3.859 3.960 0.008 0.000 0.216 279 G HA3 -0.106 3.859 3.960 0.008 0.000 0.216 279 G C 1.384 175.964 174.900 -0.533 0.000 1.154 279 G CA 0.618 44.972 45.100 -1.244 0.000 0.784 279 G HN 0.418 nan 8.290 nan 0.000 0.538 280 L N 0.974 122.000 121.223 -0.329 0.000 2.056 280 L HA 0.041 4.386 4.340 0.008 0.000 0.207 280 L C 2.848 179.638 176.870 -0.133 0.000 1.078 280 L CA 2.386 57.086 54.840 -0.234 0.000 0.749 280 L CB -0.816 41.230 42.059 -0.021 0.000 0.901 280 L HN 0.151 nan 8.230 nan 0.000 0.433 281 T N -0.088 114.396 114.554 -0.116 0.000 2.708 281 T HA -0.134 4.221 4.350 0.008 0.000 0.266 281 T C 1.930 176.602 174.700 -0.047 0.000 1.037 281 T CA 1.349 63.408 62.100 -0.068 0.000 1.146 281 T CB -0.581 68.248 68.868 -0.066 0.000 0.865 281 T HN 0.518 nan 8.240 nan 0.000 0.435 282 A N 1.594 124.389 122.820 -0.041 0.000 1.883 282 A HA 0.090 4.414 4.320 0.008 0.000 0.217 282 A C 2.656 180.251 177.584 0.017 0.000 1.186 282 A CA 1.979 54.034 52.037 0.030 0.000 0.624 282 A CB -1.185 17.919 19.000 0.174 0.000 0.822 282 A HN 0.514 nan 8.150 nan 0.000 0.444 283 A N -1.160 121.654 122.820 -0.010 0.000 1.933 283 A HA -0.069 4.256 4.320 0.008 0.000 0.218 283 A C 2.287 179.919 177.584 0.079 0.000 1.175 283 A CA 2.276 54.335 52.037 0.037 0.000 0.628 283 A CB -1.137 17.838 19.000 -0.041 0.000 0.814 283 A HN 0.451 nan 8.150 nan 0.000 0.444 284 T N 0.204 114.786 114.554 0.046 0.000 2.857 284 T HA 0.016 4.371 4.350 0.008 0.000 0.266 284 T C 1.804 176.481 174.700 -0.039 0.000 1.048 284 T CA 1.117 63.226 62.100 0.016 0.000 1.139 284 T CB -0.301 68.584 68.868 0.029 0.000 0.874 284 T HN 0.333 nan 8.240 nan 0.000 0.455 285 L N 1.330 122.536 121.223 -0.029 0.000 2.042 285 L HA -0.151 4.194 4.340 0.008 0.000 0.210 285 L C 2.619 179.469 176.870 -0.034 0.000 1.076 285 L CA 1.366 56.187 54.840 -0.032 0.000 0.749 285 L CB -0.543 41.499 42.059 -0.027 0.000 0.893 285 L HN 0.301 nan 8.230 nan 0.000 0.432 286 N N -0.272 118.405 118.700 -0.038 0.000 2.120 286 N HA -0.223 4.522 4.740 0.008 0.000 0.188 286 N C 1.794 177.234 175.510 -0.117 0.000 1.024 286 N CA 1.304 54.319 53.050 -0.058 0.000 0.852 286 N CB 0.100 38.564 38.487 -0.038 0.000 1.003 286 N HN 0.158 nan 8.380 nan 0.000 0.424 287 E N 0.556 120.657 120.200 -0.166 0.000 2.106 287 E HA -0.129 4.226 4.350 0.008 0.000 0.192 287 E C 1.796 178.289 176.600 -0.178 0.000 0.984 287 E CA 0.843 57.091 56.400 -0.253 0.000 0.806 287 E CB -0.142 29.250 29.700 -0.512 0.000 0.750 287 E HN 0.520 nan 8.360 nan 0.000 0.458 288 K N 0.716 121.050 120.400 -0.111 0.000 2.026 288 K HA -0.045 4.280 4.320 0.008 0.000 0.208 288 K C 2.174 178.759 176.600 -0.025 0.000 1.048 288 K CA 1.244 57.504 56.287 -0.044 0.000 0.929 288 K CB -0.181 32.315 32.500 -0.007 0.000 0.713 288 K HN 0.049 nan 8.250 nan 0.000 0.439 289 A N 1.230 124.032 122.820 -0.029 0.000 2.019 289 A HA -0.235 4.090 4.320 0.008 0.000 0.219 289 A C 2.021 179.459 177.584 -0.243 0.000 1.164 289 A CA 1.802 53.817 52.037 -0.037 0.000 0.644 289 A CB -0.345 18.655 19.000 -0.001 0.000 0.805 289 A HN 0.417 nan 8.150 nan 0.000 0.449 290 E N -0.307 119.713 120.200 -0.300 0.000 2.030 290 E HA -0.084 4.271 4.350 0.008 0.000 0.189 290 E C 1.931 178.174 176.600 -0.595 0.000 0.974 290 E CA 1.490 57.582 56.400 -0.513 0.000 0.807 290 E CB -0.088 29.296 29.700 -0.527 0.000 0.771 290 E HN 0.447 nan 8.360 nan 0.000 0.451 291 V N -1.148 118.522 119.914 -0.407 0.000 2.649 291 V HA 0.043 4.168 4.120 0.008 0.000 0.248 291 V C 2.050 178.264 176.094 0.200 0.000 1.054 291 V CA 0.981 63.181 62.300 -0.166 0.000 1.073 291 V CB -0.316 31.558 31.823 0.085 0.000 0.699 291 V HN 0.238 nan 8.190 nan 0.000 0.463 292 I N -0.444 120.191 120.570 0.107 0.000 2.556 292 I HA 0.055 4.230 4.170 0.008 0.000 0.251 292 I C 2.374 178.571 176.117 0.134 0.000 1.105 292 I CA 1.094 62.474 61.300 0.132 0.000 1.436 292 I CB -0.013 38.023 38.000 0.061 0.000 1.139 292 I HN 0.214 nan 8.210 nan 0.000 0.438 293 L N -0.028 121.263 121.223 0.115 0.000 2.130 293 L HA 0.141 4.486 4.340 0.008 0.000 0.200 293 L C 2.638 179.670 176.870 0.271 0.000 1.075 293 L CA 1.215 56.176 54.840 0.202 0.000 0.768 293 L CB -1.107 41.119 42.059 0.279 0.000 0.933 293 L HN 0.228 nan 8.230 nan 0.000 0.451 294 G N -0.105 108.754 108.800 0.099 0.000 2.408 294 G HA2 -0.166 3.799 3.960 0.008 0.000 0.217 294 G HA3 -0.166 3.799 3.960 0.008 0.000 0.217 294 G C 1.555 176.609 174.900 0.256 0.000 1.150 294 G CA 0.750 45.926 45.100 0.125 0.000 0.776 294 G HN 0.474 nan 8.290 nan 0.000 0.542 295 G N 0.202 109.146 108.800 0.239 0.000 2.448 295 G HA2 -0.006 3.959 3.960 0.008 0.000 0.218 295 G HA3 -0.006 3.959 3.960 0.008 0.000 0.218 295 G C 1.819 176.866 174.900 0.245 0.000 1.135 295 G CA 1.157 46.449 45.100 0.321 0.000 0.784 295 G HN 0.409 nan 8.290 nan 0.000 0.543 296 S N -0.068 115.774 115.700 0.236 0.000 2.593 296 S HA 0.253 4.728 4.470 0.008 0.000 0.217 296 S C 1.795 176.489 174.600 0.157 0.000 0.966 296 S CA -0.117 58.207 58.200 0.206 0.000 0.914 296 S CB 0.141 63.452 63.200 0.184 0.000 0.776 296 S HN 0.365 nan 8.310 nan 0.000 0.523 297 I N 0.344 121.002 120.570 0.148 0.000 2.834 297 I HA -0.006 4.169 4.170 0.008 0.000 0.239 297 I C 2.261 178.333 176.117 -0.075 0.000 1.073 297 I CA 0.544 61.875 61.300 0.051 0.000 1.459 297 I CB -0.436 37.613 38.000 0.083 0.000 1.288 297 I HN 0.111 nan 8.210 nan 0.000 0.455 298 S N 1.218 116.867 115.700 -0.084 0.000 2.345 298 S HA -0.066 4.409 4.470 0.008 0.000 0.220 298 S C 2.034 176.574 174.600 -0.100 0.000 1.031 298 S CA 1.074 59.169 58.200 -0.175 0.000 0.996 298 S CB -0.184 62.962 63.200 -0.090 0.000 0.882 298 S HN 0.200 nan 8.310 nan 0.000 0.445 299 I N 2.211 122.769 120.570 -0.020 0.000 2.099 299 I HA -0.082 4.093 4.170 0.008 0.000 0.239 299 I C -0.848 175.287 176.117 0.029 0.000 1.066 299 I CA 1.324 62.630 61.300 0.011 0.000 1.324 299 I CB -2.861 35.180 38.000 0.068 0.000 1.037 299 I HN 0.174 nan 8.210 nan 0.000 0.401 300 P HA -0.091 nan 4.420 nan 0.000 0.218 300 P C 1.641 178.968 177.300 0.045 0.000 1.148 300 P CA 1.866 65.012 63.100 0.077 0.000 0.822 300 P CB 0.009 31.782 31.700 0.122 0.000 0.784 301 A N 0.020 122.843 122.820 0.004 0.000 1.898 301 A HA -0.034 4.291 4.320 0.008 0.000 0.216 301 A C 2.322 179.906 177.584 -0.001 0.000 1.181 301 A CA 1.881 53.904 52.037 -0.022 0.000 0.620 301 A CB -1.559 17.342 19.000 -0.164 0.000 0.819 301 A HN 0.181 nan 8.150 nan 0.000 0.442 302 A N -0.565 122.248 122.820 -0.011 0.000 1.902 302 A HA 0.005 4.330 4.320 0.008 0.000 0.217 302 A C 2.209 179.894 177.584 0.170 0.000 1.181 302 A CA 1.822 53.929 52.037 0.116 0.000 0.623 302 A CB -0.835 18.176 19.000 0.017 0.000 0.818 302 A HN 0.376 nan 8.150 nan 0.000 0.443 303 V N -0.284 119.662 119.914 0.052 0.000 2.453 303 V HA -0.174 3.951 4.120 0.008 0.000 0.247 303 V C 3.029 179.133 176.094 0.018 0.000 1.048 303 V CA 1.655 63.959 62.300 0.007 0.000 1.049 303 V CB -1.162 30.635 31.823 -0.042 0.000 0.672 303 V HN 0.610 nan 8.190 nan 0.000 0.457 304 A N -0.249 122.593 122.820 0.037 0.000 1.865 304 A HA -0.216 4.109 4.320 0.008 0.000 0.217 304 A C 2.024 179.558 177.584 -0.083 0.000 1.191 304 A CA 2.052 54.086 52.037 -0.006 0.000 0.623 304 A CB -0.719 18.311 19.000 0.050 0.000 0.826 304 A HN 0.465 nan 8.150 nan 0.000 0.444 305 F N -2.297 117.492 119.950 -0.268 0.000 2.293 305 F HA 0.115 4.647 4.527 0.009 0.000 0.297 305 F C 1.491 176.903 175.800 -0.646 0.000 1.089 305 F CA 0.995 58.677 58.000 -0.530 0.000 1.377 305 F CB -0.056 38.460 39.000 -0.805 0.000 1.051 305 F HN 0.219 nan 8.300 nan 0.000 0.511 306 F N -0.914 119.076 119.950 0.067 0.000 2.746 306 F HA 0.481 5.012 4.527 0.007 0.000 0.313 306 F C 1.205 176.973 175.800 -0.053 0.000 1.095 306 F CA 0.226 58.225 58.000 -0.002 0.000 1.224 306 F CB -0.179 38.809 39.000 -0.020 0.000 1.060 306 F HN -0.066 nan 8.300 nan 0.000 0.584 307 G N 0.540 109.382 108.800 0.069 0.000 2.795 307 G HA2 -0.174 3.791 3.960 0.008 0.000 0.664 307 G HA3 -0.174 3.791 3.960 0.008 0.000 0.664 307 G C 0.503 175.364 174.900 -0.065 0.000 1.381 307 G CA -0.554 44.540 45.100 -0.011 0.000 0.853 307 G HN -0.053 nan 8.290 nan 0.000 0.545 308 V N 0.970 120.797 119.914 -0.146 0.000 2.270 308 V HA -0.039 4.086 4.120 0.008 0.000 0.245 308 V C 3.402 179.312 176.094 -0.308 0.000 1.043 308 V CA 3.445 65.551 62.300 -0.324 0.000 1.014 308 V CB -1.324 30.287 31.823 -0.353 0.000 0.645 308 V HN 1.796 nan 8.190 nan 0.000 0.447 309 A N 0.228 122.940 122.820 -0.180 0.000 1.933 309 A HA -0.205 4.120 4.320 0.008 0.000 0.218 309 A C 2.057 179.566 177.584 -0.125 0.000 1.175 309 A CA 1.903 53.857 52.037 -0.138 0.000 0.628 309 A CB -0.591 18.361 19.000 -0.080 0.000 0.814 309 A HN 0.605 nan 8.150 nan 0.000 0.444 310 N N 0.187 118.829 118.700 -0.096 0.000 2.300 310 N HA -0.023 4.722 4.740 0.008 0.000 0.179 310 N C 1.867 177.274 175.510 -0.172 0.000 1.016 310 N CA 1.246 54.231 53.050 -0.107 0.000 0.876 310 N CB -0.377 38.092 38.487 -0.029 0.000 0.979 310 N HN 0.464 nan 8.380 nan 0.000 0.432 311 A N 0.799 123.530 122.820 -0.148 0.000 1.930 311 A HA -0.038 4.287 4.320 0.008 0.000 0.217 311 A C 2.480 179.943 177.584 -0.202 0.000 1.175 311 A CA 0.960 52.895 52.037 -0.171 0.000 0.627 311 A CB -0.577 18.326 19.000 -0.161 0.000 0.815 311 A HN 0.076 nan 8.150 nan 0.000 0.443 312 V N -0.158 119.619 119.914 -0.229 0.000 2.307 312 V HA -0.229 3.896 4.120 0.008 0.000 0.245 312 V C 3.064 179.080 176.094 -0.129 0.000 1.045 312 V CA 1.888 64.085 62.300 -0.172 0.000 1.024 312 V CB -1.176 30.552 31.823 -0.159 0.000 0.651 312 V HN 0.600 nan 8.190 nan 0.000 0.449 313 A N -0.179 122.563 122.820 -0.130 0.000 1.902 313 A HA -0.194 4.131 4.320 0.008 0.000 0.217 313 A C 2.180 179.691 177.584 -0.122 0.000 1.181 313 A CA 1.953 53.924 52.037 -0.111 0.000 0.623 313 A CB -0.576 18.360 19.000 -0.107 0.000 0.818 313 A HN 0.507 nan 8.150 nan 0.000 0.443 314 I N -0.269 120.202 120.570 -0.165 0.000 2.226 314 I HA -0.300 3.875 4.170 0.008 0.000 0.245 314 I C 2.946 178.993 176.117 -0.117 0.000 1.100 314 I CA 1.134 62.332 61.300 -0.169 0.000 1.374 314 I CB -0.257 37.590 38.000 -0.254 0.000 1.057 314 I HN 0.359 nan 8.210 nan 0.000 0.413 315 A N 0.416 123.163 122.820 -0.121 0.000 1.972 315 A HA -0.204 4.121 4.320 0.008 0.000 0.219 315 A C 2.269 179.793 177.584 -0.099 0.000 1.169 315 A CA 1.497 53.468 52.037 -0.110 0.000 0.635 315 A CB -0.392 18.533 19.000 -0.125 0.000 0.810 315 A HN 0.338 nan 8.150 nan 0.000 0.446 316 K N -0.428 119.918 120.400 -0.090 0.000 2.296 316 K HA 0.091 4.416 4.320 0.008 0.000 0.200 316 K C 2.157 178.724 176.600 -0.055 0.000 1.048 316 K CA 0.748 56.991 56.287 -0.073 0.000 0.966 316 K CB -0.179 32.283 32.500 -0.063 0.000 0.754 316 K HN 0.444 nan 8.250 nan 0.000 0.466 317 A N 1.491 124.282 122.820 -0.048 0.000 1.930 317 A HA 0.059 4.384 4.320 0.008 0.000 0.217 317 A C 1.047 178.633 177.584 0.004 0.000 1.175 317 A CA 1.419 53.444 52.037 -0.020 0.000 0.627 317 A CB -0.030 18.958 19.000 -0.020 0.000 0.815 317 A HN 0.349 nan 8.150 nan 0.000 0.443 318 G N -4.086 104.710 108.800 -0.007 0.000 2.616 318 G HA2 0.526 4.491 3.960 0.008 0.000 0.294 318 G HA3 0.526 4.491 3.960 0.008 0.000 0.294 318 G C 0.332 175.195 174.900 -0.060 0.000 1.489 318 G CA 0.059 45.162 45.100 0.005 0.000 0.836 318 G HN 0.690 nan 8.290 nan 0.000 0.527 319 A N 0.052 122.752 122.820 -0.200 0.000 1.968 319 A HA 0.274 4.599 4.320 0.008 0.000 0.217 319 A C 1.561 178.971 177.584 -0.289 0.000 1.169 319 A CA 1.360 53.178 52.037 -0.366 0.000 0.638 319 A CB -0.382 18.229 19.000 -0.648 0.000 0.812 319 A HN 0.638 nan 8.150 nan 0.000 0.446 320 F N -0.454 119.624 119.950 0.214 0.000 2.749 320 F HA 0.128 4.661 4.527 0.009 0.000 0.300 320 F C 2.009 178.015 175.800 0.343 0.000 1.103 320 F CA -0.051 58.175 58.000 0.375 0.000 1.342 320 F CB -0.228 38.977 39.000 0.341 0.000 1.098 320 F HN 0.220 nan 8.300 nan 0.000 0.586 321 N N 0.725 119.612 118.700 0.313 0.000 2.120 321 N HA -0.188 4.557 4.740 0.008 0.000 0.188 321 N C 1.865 177.465 175.510 0.151 0.000 1.024 321 N CA 1.048 54.225 53.050 0.212 0.000 0.852 321 N CB -0.101 38.443 38.487 0.095 0.000 1.003 321 N HN 0.198 nan 8.380 nan 0.000 0.424 322 L N 0.603 121.886 121.223 0.100 0.000 2.072 322 L HA 0.065 4.410 4.340 0.008 0.000 0.205 322 L C 2.124 179.008 176.870 0.023 0.000 1.079 322 L CA 1.568 56.415 54.840 0.012 0.000 0.752 322 L CB -0.769 41.276 42.059 -0.024 0.000 0.906 322 L HN 0.048 nan 8.230 nan 0.000 0.436 323 G N -2.207 106.696 108.800 0.172 0.000 2.492 323 G HA2 -0.138 3.827 3.960 0.008 0.000 0.214 323 G HA3 -0.138 3.827 3.960 0.008 0.000 0.214 323 G C 1.140 176.155 174.900 0.191 0.000 1.147 323 G CA 0.358 45.590 45.100 0.220 0.000 0.809 323 G HN 0.388 nan 8.290 nan 0.000 0.533 324 F N -0.407 119.770 119.950 0.379 0.000 2.717 324 F HA 0.455 4.987 4.527 0.008 0.000 0.295 324 F C 1.996 178.064 175.800 0.447 0.000 1.117 324 F CA 0.011 58.251 58.000 0.401 0.000 1.361 324 F CB 0.436 39.525 39.000 0.148 0.000 1.112 324 F HN 0.040 nan 8.300 nan 0.000 0.594 325 I N -1.801 119.030 120.570 0.436 0.000 3.393 325 I HA -0.061 4.114 4.170 0.008 0.000 0.250 325 I C 2.037 178.192 176.117 0.063 0.000 1.122 325 I CA 0.615 62.108 61.300 0.322 0.000 1.484 325 I CB -0.559 37.597 38.000 0.260 0.000 1.468 325 I HN -0.190 nan 8.210 nan 0.000 0.461 326 T N 1.981 116.521 114.554 -0.024 0.000 2.674 326 T HA -0.152 4.203 4.350 0.008 0.000 0.265 326 T C 1.868 176.369 174.700 -0.333 0.000 1.039 326 T CA 1.439 63.451 62.100 -0.147 0.000 1.150 326 T CB -0.350 68.434 68.868 -0.139 0.000 0.864 326 T HN 0.072 nan 8.240 nan 0.000 0.427 327 L N 2.625 123.579 121.223 -0.449 0.000 1.989 327 L HA -0.035 4.310 4.340 0.008 0.000 0.211 327 L C -0.726 175.521 176.870 -1.038 0.000 1.071 327 L CA 2.018 56.323 54.840 -0.893 0.000 0.749 327 L CB -1.275 40.079 42.059 -1.176 0.000 0.890 327 L HN 0.154 nan 8.230 nan 0.000 0.431 328 P HA -0.170 nan 4.420 nan 0.000 0.218 328 P C 1.383 178.242 177.300 -0.735 0.000 1.148 328 P CA 2.023 64.893 63.100 -0.384 0.000 0.822 328 P CB -0.201 31.586 31.700 0.145 0.000 0.784 329 A N 0.016 122.187 122.820 -1.082 0.000 1.877 329 A HA -0.151 4.174 4.320 0.008 0.000 0.216 329 A C 2.372 179.621 177.584 -0.557 0.000 1.186 329 A CA 1.364 52.728 52.037 -1.121 0.000 0.620 329 A CB -1.571 17.058 19.000 -0.619 0.000 0.822 329 A HN 0.106 nan 8.150 nan 0.000 0.443 330 I N -1.339 118.872 120.570 -0.597 0.000 2.163 330 I HA -0.252 3.923 4.170 0.008 0.000 0.243 330 I C 2.219 178.043 176.117 -0.488 0.000 1.085 330 I CA 1.264 62.080 61.300 -0.806 0.000 1.347 330 I CB -0.372 37.026 38.000 -1.002 0.000 1.044 330 I HN 0.268 nan 8.210 nan 0.000 0.408 331 F N 1.178 120.881 119.950 -0.410 0.000 2.161 331 F HA -0.227 4.305 4.527 0.008 0.000 0.300 331 F C 3.018 178.769 175.800 -0.081 0.000 1.089 331 F CA 1.385 59.255 58.000 -0.216 0.000 1.282 331 F CB -1.618 37.291 39.000 -0.152 0.000 1.010 331 F HN 0.200 nan 8.300 nan 0.000 0.485 332 S N -0.564 115.208 115.700 0.119 0.000 2.442 332 S HA -0.179 4.296 4.470 0.008 0.000 0.236 332 S C 1.540 176.216 174.600 0.127 0.000 1.007 332 S CA 0.845 59.148 58.200 0.172 0.000 0.965 332 S CB -0.408 62.955 63.200 0.272 0.000 0.773 332 S HN 0.370 nan 8.310 nan 0.000 0.504 333 Q N 1.736 121.583 119.800 0.078 0.000 2.403 333 Q HA 0.162 4.506 4.340 0.008 0.000 0.203 333 Q C 0.776 176.866 176.000 0.150 0.000 0.932 333 Q CA 0.696 56.576 55.803 0.128 0.000 0.945 333 Q CB 0.045 28.905 28.738 0.204 0.000 1.045 333 Q HN 0.874 nan 8.270 nan 0.000 0.511 334 T N -3.062 111.569 114.554 0.129 0.000 2.912 334 T HA 0.730 5.085 4.350 0.008 0.000 0.288 334 T C -0.140 174.609 174.700 0.080 0.000 1.030 334 T CA -0.803 61.361 62.100 0.108 0.000 1.020 334 T CB 2.107 71.033 68.868 0.097 0.000 1.056 334 T HN 0.084 nan 8.240 nan 0.000 0.480 335 A N 0.866 123.720 122.820 0.058 0.000 2.488 335 A HA 0.553 4.878 4.320 0.008 0.000 0.249 335 A C 1.609 179.227 177.584 0.056 0.000 1.083 335 A CA 0.221 52.287 52.037 0.050 0.000 0.768 335 A CB -1.341 17.678 19.000 0.032 0.000 1.017 335 A HN 2.417 nan 8.150 nan 0.000 0.496 336 G N 1.615 110.459 108.800 0.073 0.000 2.153 336 G HA2 -0.139 3.826 3.960 0.008 0.000 0.252 336 G HA3 -0.139 3.826 3.960 0.008 0.000 0.252 336 G C 1.153 176.152 174.900 0.164 0.000 0.994 336 G CA 0.853 46.019 45.100 0.109 0.000 0.698 336 G HN 1.838 nan 8.290 nan 0.000 0.521 337 G N -0.642 108.244 108.800 0.143 0.000 2.443 337 G HA2 0.025 3.990 3.960 0.008 0.000 0.219 337 G HA3 0.025 3.990 3.960 0.008 0.000 0.219 337 G C 1.606 176.686 174.900 0.300 0.000 1.131 337 G CA 2.184 47.382 45.100 0.164 0.000 0.775 337 G HN 0.601 nan 8.290 nan 0.000 0.547 338 T N 0.592 115.345 114.554 0.331 0.000 2.777 338 T HA -0.096 4.259 4.350 0.008 0.000 0.266 338 T C 1.912 176.933 174.700 0.535 0.000 1.040 338 T CA 0.943 63.314 62.100 0.451 0.000 1.141 338 T CB -0.268 68.752 68.868 0.254 0.000 0.868 338 T HN 0.243 nan 8.240 nan 0.000 0.444 339 F N 1.288 121.401 119.950 0.270 0.000 2.186 339 F HA 0.028 4.560 4.527 0.008 0.000 0.299 339 F C 1.918 177.901 175.800 0.305 0.000 1.090 339 F CA 0.593 58.766 58.000 0.287 0.000 1.307 339 F CB -0.371 38.726 39.000 0.161 0.000 1.019 339 F HN 0.008 nan 8.300 nan 0.000 0.489 340 L N 0.314 121.680 121.223 0.238 0.000 2.131 340 L HA -0.000 4.345 4.340 0.008 0.000 0.210 340 L C 2.509 179.370 176.870 -0.015 0.000 1.092 340 L CA 1.927 56.736 54.840 -0.052 0.000 0.759 340 L CB -1.360 40.460 42.059 -0.398 0.000 0.903 340 L HN 0.206 nan 8.230 nan 0.000 0.435 341 G N -1.093 107.861 108.800 0.258 0.000 2.418 341 G HA2 -0.362 3.603 3.960 0.008 0.000 0.217 341 G HA3 -0.362 3.603 3.960 0.008 0.000 0.217 341 G C 1.547 176.545 174.900 0.162 0.000 1.158 341 G CA 0.847 46.094 45.100 0.245 0.000 0.771 341 G HN 0.474 nan 8.290 nan 0.000 0.545 342 F N 1.447 121.501 119.950 0.173 0.000 2.102 342 F HA -0.002 4.530 4.527 0.008 0.000 0.298 342 F C 2.344 178.143 175.800 -0.003 0.000 1.105 342 F CA 1.263 59.340 58.000 0.129 0.000 1.239 342 F CB -0.335 38.645 39.000 -0.033 0.000 0.991 342 F HN 0.061 nan 8.300 nan 0.000 0.474 343 L N -0.554 120.371 121.223 -0.495 0.000 2.083 343 L HA -0.238 4.107 4.340 0.008 0.000 0.209 343 L C 2.604 179.336 176.870 -0.229 0.000 1.083 343 L CA 1.517 56.039 54.840 -0.530 0.000 0.752 343 L CB -1.111 40.767 42.059 -0.302 0.000 0.899 343 L HN 0.535 nan 8.230 nan 0.000 0.433 344 W N 1.046 122.146 121.300 -0.333 0.000 2.333 344 W HA -0.280 4.386 4.660 0.010 0.000 0.316 344 W C 2.148 178.392 176.519 -0.459 0.000 1.215 344 W CA 1.428 58.530 57.345 -0.405 0.000 1.278 344 W CB -0.300 28.882 29.460 -0.463 0.000 1.154 344 W HN 0.068 nan 8.180 nan 0.000 0.486 345 F N -0.404 119.364 119.950 -0.303 0.000 2.259 345 F HA -0.093 4.439 4.527 0.009 0.000 0.298 345 F C 2.242 177.910 175.800 -0.219 0.000 1.088 345 F CA 1.179 58.964 58.000 -0.358 0.000 1.358 345 F CB -1.633 37.309 39.000 -0.097 0.000 1.040 345 F HN -0.173 nan 8.300 nan 0.000 0.505 346 F N 0.237 120.027 119.950 -0.267 0.000 2.146 346 F HA -0.175 4.357 4.527 0.008 0.000 0.298 346 F C 2.283 177.938 175.800 -0.243 0.000 1.096 346 F CA 1.026 58.844 58.000 -0.304 0.000 1.275 346 F CB -0.424 38.122 39.000 -0.756 0.000 1.008 346 F HN -0.041 nan 8.300 nan 0.000 0.480 347 L N 0.367 121.480 121.223 -0.184 0.000 2.012 347 L HA -0.213 4.132 4.340 0.008 0.000 0.210 347 L C 2.019 178.676 176.870 -0.354 0.000 1.073 347 L CA 1.896 56.565 54.840 -0.285 0.000 0.748 347 L CB -0.937 40.884 42.059 -0.396 0.000 0.891 347 L HN 0.215 nan 8.230 nan 0.000 0.431 348 L N -1.643 119.293 121.223 -0.479 0.000 2.083 348 L HA -0.206 4.139 4.340 0.008 0.000 0.209 348 L C 2.472 179.296 176.870 -0.076 0.000 1.083 348 L CA 1.382 55.998 54.840 -0.374 0.000 0.752 348 L CB -0.754 40.974 42.059 -0.550 0.000 0.899 348 L HN 0.343 nan 8.230 nan 0.000 0.433 349 F N 0.358 120.218 119.950 -0.151 0.000 2.102 349 F HA -0.251 4.281 4.527 0.008 0.000 0.298 349 F C 2.240 178.092 175.800 0.088 0.000 1.105 349 F CA 1.436 59.409 58.000 -0.044 0.000 1.239 349 F CB -0.410 38.536 39.000 -0.089 0.000 0.991 349 F HN -0.114 nan 8.300 nan 0.000 0.474 350 F N 0.661 120.374 119.950 -0.395 0.000 2.171 350 F HA -0.041 4.491 4.527 0.008 0.000 0.300 350 F C 2.587 178.289 175.800 -0.163 0.000 1.090 350 F CA 0.922 58.724 58.000 -0.329 0.000 1.293 350 F CB -1.494 37.375 39.000 -0.219 0.000 1.013 350 F HN 0.087 nan 8.300 nan 0.000 0.486 351 A N -0.105 122.755 122.820 0.066 0.000 1.902 351 A HA -0.072 4.252 4.320 0.008 0.000 0.217 351 A C 2.604 180.244 177.584 0.093 0.000 1.181 351 A CA 1.831 53.936 52.037 0.113 0.000 0.623 351 A CB -1.525 17.593 19.000 0.197 0.000 0.818 351 A HN 0.395 nan 8.150 nan 0.000 0.443 352 G N -0.386 108.436 108.800 0.036 0.000 2.402 352 G HA2 -0.080 3.885 3.960 0.008 0.000 0.216 352 G HA3 -0.080 3.885 3.960 0.008 0.000 0.216 352 G C 1.475 176.399 174.900 0.040 0.000 1.162 352 G CA 1.102 46.258 45.100 0.094 0.000 0.777 352 G HN 0.466 nan 8.290 nan 0.000 0.539 353 L N 1.883 122.975 121.223 -0.219 0.000 2.046 353 L HA -0.060 4.285 4.340 0.008 0.000 0.208 353 L C 3.075 179.850 176.870 -0.158 0.000 1.077 353 L CA 2.834 57.485 54.840 -0.314 0.000 0.747 353 L CB -1.105 40.540 42.059 -0.690 0.000 0.896 353 L HN 0.364 nan 8.230 nan 0.000 0.432 354 T N -4.645 109.875 114.554 -0.056 0.000 2.962 354 T HA -0.081 4.274 4.350 0.008 0.000 0.270 354 T C 1.850 176.540 174.700 -0.017 0.000 1.088 354 T CA 1.375 63.494 62.100 0.031 0.000 1.127 354 T CB -0.521 68.382 68.868 0.059 0.000 0.883 354 T HN 0.326 nan 8.240 nan 0.000 0.493 355 S N 1.567 117.237 115.700 -0.048 0.000 2.439 355 S HA 0.025 4.500 4.470 0.008 0.000 0.224 355 S C 2.439 176.876 174.600 -0.272 0.000 1.029 355 S CA 0.746 58.833 58.200 -0.189 0.000 0.946 355 S CB -0.182 62.890 63.200 -0.214 0.000 0.797 355 S HN 0.831 nan 8.310 nan 0.000 0.504 356 S N 2.714 118.342 115.700 -0.119 0.000 2.414 356 S HA 0.001 4.476 4.470 0.008 0.000 0.227 356 S C 1.944 176.489 174.600 -0.091 0.000 1.022 356 S CA 0.719 58.859 58.200 -0.100 0.000 0.958 356 S CB -0.891 62.350 63.200 0.068 0.000 0.797 356 S HN 0.698 nan 8.310 nan 0.000 0.493 357 I N -0.079 120.445 120.570 -0.077 0.000 2.493 357 I HA 0.116 4.291 4.170 0.008 0.000 0.254 357 I C 2.444 178.585 176.117 0.041 0.000 1.160 357 I CA 1.047 62.325 61.300 -0.036 0.000 1.445 357 I CB -0.640 37.327 38.000 -0.054 0.000 1.086 357 I HN 0.307 nan 8.210 nan 0.000 0.433 358 A N 2.807 125.608 122.820 -0.031 0.000 1.930 358 A HA 0.041 4.366 4.320 0.008 0.000 0.215 358 A C 2.303 179.779 177.584 -0.179 0.000 1.176 358 A CA 1.466 53.404 52.037 -0.164 0.000 0.632 358 A CB -0.730 17.971 19.000 -0.498 0.000 0.819 358 A HN 0.677 nan 8.150 nan 0.000 0.445 359 I N -4.305 116.141 120.570 -0.207 0.000 3.428 359 I HA 0.101 4.276 4.170 0.008 0.000 0.286 359 I C 1.893 177.972 176.117 -0.065 0.000 1.287 359 I CA 0.745 61.946 61.300 -0.166 0.000 1.396 359 I CB -0.138 37.710 38.000 -0.253 0.000 1.062 359 I HN 0.125 nan 8.210 nan 0.000 0.471 360 M N 0.249 119.831 119.600 -0.029 0.000 2.492 360 M HA 0.046 4.531 4.480 0.008 0.000 0.255 360 M C 2.052 178.384 176.300 0.054 0.000 1.139 360 M CA 0.508 55.820 55.300 0.020 0.000 1.096 360 M CB 0.129 32.742 32.600 0.020 0.000 1.360 360 M HN 0.190 nan 8.290 nan 0.000 0.480 361 Q N 1.482 121.328 119.800 0.076 0.000 2.119 361 Q HA -0.067 4.278 4.340 0.008 0.000 0.201 361 Q C -1.046 175.039 176.000 0.143 0.000 0.972 361 Q CA 1.916 57.797 55.803 0.130 0.000 0.847 361 Q CB -1.206 27.679 28.738 0.245 0.000 0.903 361 Q HN 0.207 nan 8.270 nan 0.000 0.433 362 P HA -0.170 nan 4.420 nan 0.000 0.215 362 P C 1.170 178.539 177.300 0.115 0.000 1.157 362 P CA 1.506 64.665 63.100 0.099 0.000 0.874 362 P CB -0.169 31.558 31.700 0.044 0.000 0.790 363 M N -1.121 118.537 119.600 0.096 0.000 2.117 363 M HA -0.112 4.373 4.480 0.008 0.000 0.262 363 M C 1.881 178.292 176.300 0.184 0.000 1.065 363 M CA 1.786 57.163 55.300 0.128 0.000 1.114 363 M CB -1.220 31.448 32.600 0.113 0.000 1.361 363 M HN -0.205 nan 8.290 nan 0.000 0.408 364 I N -0.192 120.464 120.570 0.143 0.000 2.179 364 I HA -0.266 3.909 4.170 0.008 0.000 0.242 364 I C 2.399 178.587 176.117 0.119 0.000 1.088 364 I CA 1.273 62.646 61.300 0.123 0.000 1.357 364 I CB -0.773 37.274 38.000 0.078 0.000 1.051 364 I HN 0.390 nan 8.210 nan 0.000 0.409 365 A N 0.458 123.363 122.820 0.141 0.000 1.902 365 A HA -0.258 4.067 4.320 0.008 0.000 0.217 365 A C 2.249 179.897 177.584 0.108 0.000 1.181 365 A CA 1.481 53.599 52.037 0.134 0.000 0.623 365 A CB -0.993 18.101 19.000 0.157 0.000 0.818 365 A HN 0.463 nan 8.150 nan 0.000 0.443 366 F N 0.615 120.571 119.950 0.009 0.000 2.102 366 F HA -0.148 4.384 4.527 0.008 0.000 0.298 366 F C 1.879 177.665 175.800 -0.023 0.000 1.105 366 F CA 1.842 59.831 58.000 -0.018 0.000 1.239 366 F CB -0.289 38.684 39.000 -0.045 0.000 0.991 366 F HN 0.142 nan 8.300 nan 0.000 0.474 367 L N -0.089 121.140 121.223 0.010 0.000 2.093 367 L HA -0.180 4.165 4.340 0.008 0.000 0.208 367 L C 2.355 179.151 176.870 -0.123 0.000 1.085 367 L CA 1.600 56.392 54.840 -0.079 0.000 0.755 367 L CB -0.718 41.398 42.059 0.094 0.000 0.904 367 L HN 0.191 nan 8.230 nan 0.000 0.435 368 E N -0.080 120.080 120.200 -0.066 0.000 2.028 368 E HA -0.178 4.176 4.350 0.008 0.000 0.190 368 E C 1.771 178.297 176.600 -0.124 0.000 0.984 368 E CA 1.231 57.590 56.400 -0.069 0.000 0.800 368 E CB 0.007 29.688 29.700 -0.032 0.000 0.758 368 E HN 0.438 nan 8.360 nan 0.000 0.448 369 D N 0.490 120.804 120.400 -0.143 0.000 2.097 369 D HA -0.122 4.523 4.640 0.008 0.000 0.197 369 D C 1.835 178.006 176.300 -0.216 0.000 0.984 369 D CA 1.076 54.973 54.000 -0.171 0.000 0.826 369 D CB -0.032 40.692 40.800 -0.127 0.000 0.973 369 D HN 0.147 nan 8.370 nan 0.000 0.460 370 E N -0.233 119.756 120.200 -0.352 0.000 2.251 370 E HA 0.130 4.485 4.350 0.008 0.000 0.194 370 E C 2.059 178.415 176.600 -0.407 0.000 0.964 370 E CA 0.118 56.270 56.400 -0.412 0.000 0.868 370 E CB 0.393 29.674 29.700 -0.697 0.000 0.828 370 E HN 0.280 nan 8.360 nan 0.000 0.481 371 L N 0.674 121.630 121.223 -0.444 0.000 2.693 371 L HA 0.174 4.519 4.340 0.008 0.000 0.235 371 L C -0.006 176.758 176.870 -0.176 0.000 1.127 371 L CA -0.111 54.552 54.840 -0.296 0.000 0.914 371 L CB 0.246 42.126 42.059 -0.300 0.000 1.193 371 L HN -0.146 nan 8.230 nan 0.000 0.502 372 K N 0.086 120.390 120.400 -0.160 0.000 3.129 372 K HA -0.181 4.144 4.320 0.008 0.000 0.273 372 K C -0.283 176.291 176.600 -0.045 0.000 1.123 372 K CA 0.483 56.713 56.287 -0.095 0.000 0.800 372 K CB -2.099 30.353 32.500 -0.080 0.000 1.238 372 K HN 0.144 nan 8.250 nan 0.000 0.492 373 L N 1.164 122.370 121.223 -0.029 0.000 2.439 373 L HA 0.090 4.435 4.340 0.008 0.000 0.269 373 L C 1.395 178.295 176.870 0.050 0.000 1.179 373 L CA 0.458 55.332 54.840 0.057 0.000 0.828 373 L CB 0.804 42.924 42.059 0.102 0.000 1.106 373 L HN 0.307 nan 8.230 nan 0.000 0.467 374 S N 2.435 118.184 115.700 0.082 0.000 2.580 374 S HA 0.118 4.593 4.470 0.008 0.000 0.266 374 S C 1.263 175.854 174.600 -0.014 0.000 1.354 374 S CA -0.226 57.970 58.200 -0.007 0.000 1.008 374 S CB 0.439 63.588 63.200 -0.086 0.000 0.898 374 S HN 0.654 nan 8.310 nan 0.000 0.555 375 R N 1.177 121.642 120.500 -0.058 0.000 2.091 375 R HA -0.156 4.189 4.340 0.008 0.000 0.238 375 R C 2.355 178.621 176.300 -0.057 0.000 1.136 375 R CA 1.894 57.959 56.100 -0.058 0.000 0.959 375 R CB -0.424 29.819 30.300 -0.094 0.000 0.856 375 R HN 0.856 nan 8.270 nan 0.000 0.437 376 K N -0.556 119.772 120.400 -0.121 0.000 2.020 376 K HA -0.234 4.091 4.320 0.008 0.000 0.212 376 K C 1.830 178.396 176.600 -0.057 0.000 1.050 376 K CA 2.248 58.445 56.287 -0.149 0.000 0.929 376 K CB -0.201 32.138 32.500 -0.269 0.000 0.714 376 K HN 0.486 nan 8.250 nan 0.000 0.443 377 H N -1.010 118.089 119.070 0.048 0.000 2.395 377 H HA 0.006 4.567 4.556 0.008 0.000 0.299 377 H C 2.004 177.473 175.328 0.235 0.000 1.070 377 H CA 0.666 56.796 56.048 0.137 0.000 1.356 377 H CB 0.100 29.986 29.762 0.206 0.000 1.401 377 H HN 0.381 nan 8.280 nan 0.000 0.524 378 A N 0.597 123.579 122.820 0.269 0.000 1.902 378 A HA -0.127 4.198 4.320 0.008 0.000 0.217 378 A C 2.513 180.211 177.584 0.189 0.000 1.181 378 A CA 1.443 53.615 52.037 0.224 0.000 0.623 378 A CB -0.703 18.371 19.000 0.123 0.000 0.818 378 A HN 0.212 nan 8.150 nan 0.000 0.443 379 V N 0.027 120.002 119.914 0.102 0.000 2.358 379 V HA -0.208 3.917 4.120 0.008 0.000 0.246 379 V C 2.546 178.673 176.094 0.056 0.000 1.047 379 V CA 1.807 64.137 62.300 0.051 0.000 1.035 379 V CB -0.691 31.118 31.823 -0.023 0.000 0.658 379 V HN 0.555 nan 8.190 nan 0.000 0.452 380 L N -1.892 119.350 121.223 0.032 0.000 2.093 380 L HA -0.165 4.180 4.340 0.008 0.000 0.208 380 L C 2.395 179.234 176.870 -0.052 0.000 1.085 380 L CA 1.837 56.643 54.840 -0.057 0.000 0.755 380 L CB -0.484 41.491 42.059 -0.140 0.000 0.904 380 L HN 0.383 nan 8.230 nan 0.000 0.435 381 W N 0.085 121.444 121.300 0.098 0.000 2.388 381 W HA -0.157 4.508 4.660 0.008 0.000 0.294 381 W C 2.684 179.283 176.519 0.133 0.000 1.212 381 W CA 1.223 58.635 57.345 0.112 0.000 1.271 381 W CB -0.427 29.105 29.460 0.120 0.000 1.126 381 W HN 0.014 nan 8.180 nan 0.000 0.535 382 T N 0.062 114.821 114.554 0.342 0.000 2.708 382 T HA -0.203 4.152 4.350 0.008 0.000 0.266 382 T C 1.972 176.799 174.700 0.212 0.000 1.037 382 T CA 1.721 63.974 62.100 0.255 0.000 1.146 382 T CB -0.773 68.205 68.868 0.184 0.000 0.865 382 T HN 0.187 nan 8.240 nan 0.000 0.435 383 A N 1.514 124.423 122.820 0.149 0.000 1.908 383 A HA 0.104 4.429 4.320 0.008 0.000 0.218 383 A C 2.648 180.355 177.584 0.206 0.000 1.181 383 A CA 1.923 54.031 52.037 0.119 0.000 0.627 383 A CB -1.134 17.878 19.000 0.020 0.000 0.818 383 A HN 0.512 nan 8.150 nan 0.000 0.445 384 A N -0.066 122.875 122.820 0.200 0.000 1.902 384 A HA -0.090 4.235 4.320 0.008 0.000 0.217 384 A C 2.119 179.945 177.584 0.402 0.000 1.181 384 A CA 1.599 53.799 52.037 0.271 0.000 0.623 384 A CB -0.614 18.477 19.000 0.153 0.000 0.818 384 A HN 0.512 nan 8.150 nan 0.000 0.443 385 I N -0.617 120.178 120.570 0.376 0.000 2.252 385 I HA -0.184 3.991 4.170 0.008 0.000 0.245 385 I C 2.326 178.683 176.117 0.399 0.000 1.102 385 I CA 0.979 62.505 61.300 0.376 0.000 1.385 385 I CB -0.355 37.831 38.000 0.309 0.000 1.064 385 I HN 0.142 nan 8.210 nan 0.000 0.414 386 V N 0.739 120.857 119.914 0.339 0.000 2.307 386 V HA -0.299 3.826 4.120 0.008 0.000 0.245 386 V C 2.314 178.640 176.094 0.387 0.000 1.045 386 V CA 1.968 64.456 62.300 0.312 0.000 1.024 386 V CB -0.732 31.237 31.823 0.244 0.000 0.651 386 V HN 0.366 nan 8.190 nan 0.000 0.449 387 F N 0.730 120.849 119.950 0.280 0.000 2.095 387 F HA -0.269 4.263 4.527 0.008 0.000 0.298 387 F C 2.148 178.228 175.800 0.466 0.000 1.104 387 F CA 2.068 60.274 58.000 0.344 0.000 1.232 387 F CB -0.620 38.508 39.000 0.214 0.000 0.987 387 F HN 0.204 nan 8.300 nan 0.000 0.475 388 F N 0.879 120.976 119.950 0.245 0.000 2.075 388 F HA -0.176 4.356 4.527 0.008 0.000 0.297 388 F C 2.452 178.325 175.800 0.121 0.000 1.113 388 F CA 2.161 60.238 58.000 0.128 0.000 1.218 388 F CB -1.057 38.039 39.000 0.160 0.000 0.984 388 F HN -0.062 nan 8.300 nan 0.000 0.472 389 S N 0.631 116.333 115.700 0.002 0.000 2.419 389 S HA -0.105 4.370 4.470 0.008 0.000 0.233 389 S C 2.182 176.660 174.600 -0.204 0.000 1.016 389 S CA 0.821 58.934 58.200 -0.145 0.000 0.974 389 S CB -0.809 62.578 63.200 0.312 0.000 0.786 389 S HN 0.558 nan 8.310 nan 0.000 0.492 390 A N 0.990 123.736 122.820 -0.123 0.000 2.121 390 A HA -0.083 4.242 4.320 0.008 0.000 0.218 390 A C 1.574 178.856 177.584 -0.502 0.000 1.154 390 A CA 1.108 52.975 52.037 -0.284 0.000 0.679 390 A CB -0.697 18.143 19.000 -0.266 0.000 0.795 390 A HN 0.524 nan 8.150 nan 0.000 0.458 391 H N -1.223 117.589 119.070 -0.429 0.000 2.456 391 H HA -0.073 4.488 4.556 0.008 0.000 0.296 391 H C 1.804 177.034 175.328 -0.164 0.000 1.079 391 H CA 1.444 57.345 56.048 -0.245 0.000 1.322 391 H CB -0.067 29.529 29.762 -0.276 0.000 1.388 391 H HN 0.427 nan 8.280 nan 0.000 0.538 392 L N -0.178 120.916 121.223 -0.216 0.000 2.027 392 L HA -0.112 4.233 4.340 0.008 0.000 0.206 392 L C 2.070 178.863 176.870 -0.129 0.000 1.074 392 L CA 1.200 55.931 54.840 -0.182 0.000 0.745 392 L CB -0.467 41.418 42.059 -0.289 0.000 0.898 392 L HN 0.104 nan 8.230 nan 0.000 0.433 393 V N -0.635 119.164 119.914 -0.191 0.000 2.548 393 V HA -0.264 3.861 4.120 0.008 0.000 0.249 393 V C 2.498 178.417 176.094 -0.291 0.000 1.055 393 V CA 1.871 64.072 62.300 -0.165 0.000 1.065 393 V CB -0.393 31.369 31.823 -0.101 0.000 0.681 393 V HN 0.427 nan 8.190 nan 0.000 0.462 394 M N -1.613 117.635 119.600 -0.588 0.000 2.254 394 M HA -0.062 4.423 4.480 0.008 0.000 0.265 394 M C 1.717 177.631 176.300 -0.645 0.000 1.066 394 M CA 2.043 56.844 55.300 -0.831 0.000 1.123 394 M CB -0.139 31.777 32.600 -1.140 0.000 1.388 394 M HN 0.338 nan 8.290 nan 0.000 0.425 395 F N -1.268 118.559 119.950 -0.205 0.000 2.727 395 F HA 0.257 4.789 4.527 0.009 0.000 0.302 395 F C 0.289 176.023 175.800 -0.110 0.000 1.107 395 F CA -0.360 57.560 58.000 -0.135 0.000 1.277 395 F CB 0.543 39.473 39.000 -0.117 0.000 1.079 395 F HN -0.086 nan 8.300 nan 0.000 0.594 396 L N 1.252 122.495 121.223 0.033 0.000 2.280 396 L HA 0.405 4.750 4.340 0.008 0.000 0.287 396 L C -0.188 176.654 176.870 -0.048 0.000 1.023 396 L CA -0.633 54.199 54.840 -0.013 0.000 0.819 396 L CB 0.333 42.382 42.059 -0.017 0.000 1.212 396 L HN -0.109 nan 8.230 nan 0.000 0.420 397 N N 4.561 123.216 118.700 -0.074 0.000 2.411 397 N HA 0.062 4.807 4.740 0.008 0.000 0.261 397 N C 0.209 175.669 175.510 -0.084 0.000 1.248 397 N CA 0.579 53.575 53.050 -0.090 0.000 0.885 397 N CB 0.364 38.775 38.487 -0.127 0.000 1.062 397 N HN 0.454 nan 8.380 nan 0.000 0.471 398 K N 0.193 120.563 120.400 -0.049 0.000 3.553 398 K HA -0.205 4.120 4.320 0.008 0.000 0.303 398 K C 1.146 177.735 176.600 -0.018 0.000 1.327 398 K CA 1.071 57.337 56.287 -0.035 0.000 0.983 398 K CB -2.131 30.331 32.500 -0.064 0.000 1.275 398 K HN 0.527 nan 8.250 nan 0.000 0.453 399 S N 0.675 116.370 115.700 -0.009 0.000 2.368 399 S HA -0.008 4.467 4.470 0.008 0.000 0.225 399 S C 1.827 176.437 174.600 0.017 0.000 1.030 399 S CA 1.400 59.610 58.200 0.017 0.000 0.999 399 S CB -0.043 63.162 63.200 0.009 0.000 0.844 399 S HN 0.427 nan 8.310 nan 0.000 0.459 400 L N 1.247 122.476 121.223 0.011 0.000 2.013 400 L HA -0.209 4.136 4.340 0.008 0.000 0.212 400 L C 1.805 178.575 176.870 -0.167 0.000 1.073 400 L CA 2.485 57.302 54.840 -0.037 0.000 0.753 400 L CB -0.639 41.468 42.059 0.080 0.000 0.890 400 L HN 0.292 nan 8.230 nan 0.000 0.432 401 D N -0.702 119.660 120.400 -0.064 0.000 2.117 401 D HA -0.231 4.414 4.640 0.008 0.000 0.197 401 D C 2.069 178.337 176.300 -0.054 0.000 0.987 401 D CA 1.245 55.203 54.000 -0.071 0.000 0.829 401 D CB -0.097 40.679 40.800 -0.041 0.000 0.961 401 D HN 0.344 nan 8.370 nan 0.000 0.460 402 E N -0.022 120.178 120.200 0.000 0.000 2.072 402 E HA -0.068 4.287 4.350 0.008 0.000 0.191 402 E C 1.978 178.714 176.600 0.228 0.000 0.985 402 E CA 0.871 57.342 56.400 0.119 0.000 0.801 402 E CB -0.086 29.709 29.700 0.159 0.000 0.750 402 E HN 0.245 nan 8.360 nan 0.000 0.452 403 M N -0.071 119.594 119.600 0.108 0.000 2.132 403 M HA -0.123 4.362 4.480 0.008 0.000 0.263 403 M C 1.814 178.129 176.300 0.025 0.000 1.065 403 M CA 1.766 57.140 55.300 0.123 0.000 1.122 403 M CB -0.249 32.434 32.600 0.140 0.000 1.365 403 M HN 0.071 nan 8.290 nan 0.000 0.411 404 D N 0.123 120.332 120.400 -0.318 0.000 2.178 404 D HA -0.178 4.467 4.640 0.008 0.000 0.202 404 D C 1.648 177.974 176.300 0.043 0.000 0.974 404 D CA 1.065 54.923 54.000 -0.236 0.000 0.841 404 D CB 0.041 40.600 40.800 -0.401 0.000 0.953 404 D HN 0.278 nan 8.370 nan 0.000 0.478 405 F N -0.709 119.157 119.950 -0.140 0.000 2.074 405 F HA 0.016 4.548 4.527 0.008 0.000 0.293 405 F C 1.614 177.271 175.800 -0.238 0.000 1.116 405 F CA 1.290 59.140 58.000 -0.250 0.000 1.212 405 F CB -0.657 38.073 39.000 -0.451 0.000 0.998 405 F HN 0.005 nan 8.300 nan 0.000 0.471 406 W N 0.124 121.385 121.300 -0.065 0.000 2.388 406 W HA -0.004 4.661 4.660 0.009 0.000 0.294 406 W C 2.412 178.915 176.519 -0.026 0.000 1.212 406 W CA 1.365 58.647 57.345 -0.104 0.000 1.271 406 W CB -0.552 29.030 29.460 0.203 0.000 1.126 406 W HN 0.145 nan 8.180 nan 0.000 0.535 407 A N -0.537 122.376 122.820 0.155 0.000 1.944 407 A HA 0.257 4.582 4.320 0.008 0.000 0.209 407 A C 2.107 179.664 177.584 -0.046 0.000 1.328 407 A CA 1.037 53.072 52.037 -0.004 0.000 0.693 407 A CB -1.257 17.594 19.000 -0.248 0.000 0.994 407 A HN 0.181 nan 8.150 nan 0.000 0.485 408 G N -1.343 107.521 108.800 0.106 0.000 2.650 408 G HA2 0.185 4.150 3.960 0.008 0.000 0.214 408 G HA3 0.185 4.150 3.960 0.008 0.000 0.214 408 G C 1.156 176.174 174.900 0.197 0.000 1.136 408 G CA 1.714 46.963 45.100 0.247 0.000 0.789 408 G HN 0.457 nan 8.290 nan 0.000 0.536 409 T N 0.142 114.684 114.554 -0.019 0.000 3.311 409 T HA 0.201 4.556 4.350 0.008 0.000 0.239 409 T C 2.142 176.606 174.700 -0.392 0.000 0.976 409 T CA -0.105 61.949 62.100 -0.078 0.000 1.283 409 T CB 0.047 68.880 68.868 -0.058 0.000 1.113 409 T HN -0.049 nan 8.240 nan 0.000 0.392 410 I N 2.241 122.344 120.570 -0.778 0.000 2.233 410 I HA 0.024 4.199 4.170 0.008 0.000 0.243 410 I C 2.896 178.764 176.117 -0.416 0.000 1.093 410 I CA 1.596 62.358 61.300 -0.896 0.000 1.380 410 I CB -1.785 35.548 38.000 -1.112 0.000 1.067 410 I HN 0.391 nan 8.210 nan 0.000 0.413 411 G N 1.433 110.105 108.800 -0.213 0.000 2.476 411 G HA2 -0.236 3.729 3.960 0.008 0.000 0.218 411 G HA3 -0.236 3.729 3.960 0.008 0.000 0.218 411 G C 1.809 176.705 174.900 -0.007 0.000 1.164 411 G CA 1.858 46.965 45.100 0.011 0.000 0.768 411 G HN 0.389 nan 8.290 nan 0.000 0.560 412 V N -1.014 118.797 119.914 -0.171 0.000 2.427 412 V HA -0.104 4.021 4.120 0.008 0.000 0.248 412 V C 2.705 178.612 176.094 -0.311 0.000 1.051 412 V CA 1.759 63.946 62.300 -0.189 0.000 1.048 412 V CB -0.778 30.850 31.823 -0.325 0.000 0.666 412 V HN 0.167 nan 8.190 nan 0.000 0.456 413 V N 0.065 119.637 119.914 -0.570 0.000 2.323 413 V HA -0.155 3.970 4.120 0.008 0.000 0.244 413 V C 2.375 178.336 176.094 -0.221 0.000 1.041 413 V CA 2.393 64.225 62.300 -0.780 0.000 1.025 413 V CB -1.036 30.519 31.823 -0.446 0.000 0.656 413 V HN 0.585 nan 8.190 nan 0.000 0.451 414 F N 0.607 120.420 119.950 -0.229 0.000 2.095 414 F HA -0.256 4.276 4.527 0.008 0.000 0.298 414 F C 2.092 177.876 175.800 -0.026 0.000 1.104 414 F CA 1.917 59.835 58.000 -0.136 0.000 1.232 414 F CB -0.525 38.350 39.000 -0.208 0.000 0.987 414 F HN 0.168 nan 8.300 nan 0.000 0.475 415 F N 1.027 120.831 119.950 -0.243 0.000 2.234 415 F HA 0.093 4.625 4.527 0.008 0.000 0.299 415 F C 2.402 178.166 175.800 -0.060 0.000 1.087 415 F CA 1.342 59.220 58.000 -0.204 0.000 1.340 415 F CB -1.079 37.933 39.000 0.020 0.000 1.031 415 F HN 0.023 nan 8.300 nan 0.000 0.500 416 G N 0.330 109.186 108.800 0.093 0.000 2.418 416 G HA2 -0.282 3.683 3.960 0.008 0.000 0.217 416 G HA3 -0.282 3.683 3.960 0.008 0.000 0.217 416 G C 1.630 176.526 174.900 -0.007 0.000 1.158 416 G CA 1.005 46.226 45.100 0.202 0.000 0.771 416 G HN 0.402 nan 8.290 nan 0.000 0.545 417 L N 0.824 122.003 121.223 -0.074 0.000 2.056 417 L HA 0.028 4.373 4.340 0.008 0.000 0.207 417 L C 2.925 179.596 176.870 -0.332 0.000 1.078 417 L CA 2.515 57.252 54.840 -0.172 0.000 0.749 417 L CB -0.962 41.020 42.059 -0.128 0.000 0.901 417 L HN 0.179 nan 8.230 nan 0.000 0.433 418 T N 0.272 114.550 114.554 -0.460 0.000 2.652 418 T HA -0.247 4.108 4.350 0.008 0.000 0.267 418 T C 1.601 176.003 174.700 -0.498 0.000 1.039 418 T CA 1.876 63.672 62.100 -0.508 0.000 1.153 418 T CB -0.350 68.144 68.868 -0.624 0.000 0.863 418 T HN 0.714 nan 8.240 nan 0.000 0.428 419 E N 1.011 120.904 120.200 -0.511 0.000 2.204 419 E HA -0.065 4.290 4.350 0.008 0.000 0.194 419 E C 2.323 178.767 176.600 -0.260 0.000 0.989 419 E CA 0.762 56.893 56.400 -0.449 0.000 0.824 419 E CB -0.527 28.988 29.700 -0.309 0.000 0.756 419 E HN 0.437 nan 8.360 nan 0.000 0.477 420 L N 0.786 121.871 121.223 -0.230 0.000 2.056 420 L HA -0.079 4.266 4.340 0.008 0.000 0.207 420 L C 2.468 179.167 176.870 -0.285 0.000 1.078 420 L CA 1.040 55.780 54.840 -0.167 0.000 0.749 420 L CB -0.080 41.848 42.059 -0.219 0.000 0.901 420 L HN 0.139 nan 8.230 nan 0.000 0.433 421 I N -0.183 120.102 120.570 -0.475 0.000 2.179 421 I HA -0.353 3.822 4.170 0.008 0.000 0.242 421 I C 2.354 178.302 176.117 -0.282 0.000 1.088 421 I CA 1.593 62.546 61.300 -0.578 0.000 1.357 421 I CB -0.251 37.438 38.000 -0.518 0.000 1.051 421 I HN 0.246 nan 8.210 nan 0.000 0.409 422 I N -0.406 119.987 120.570 -0.295 0.000 2.286 422 I HA -0.301 3.874 4.170 0.008 0.000 0.248 422 I C 2.423 178.517 176.117 -0.039 0.000 1.115 422 I CA 1.483 62.633 61.300 -0.250 0.000 1.392 422 I CB -0.286 37.421 38.000 -0.488 0.000 1.065 422 I HN 0.177 nan 8.210 nan 0.000 0.418 423 F N 0.371 120.225 119.950 -0.161 0.000 2.179 423 F HA -0.055 4.477 4.527 0.008 0.000 0.292 423 F C 1.962 177.805 175.800 0.070 0.000 1.089 423 F CA 1.348 59.319 58.000 -0.048 0.000 1.295 423 F CB -0.205 38.779 39.000 -0.026 0.000 1.041 423 F HN -0.136 nan 8.300 nan 0.000 0.487 424 F N -2.208 117.727 119.950 -0.024 0.000 2.746 424 F HA 0.030 4.562 4.527 0.009 0.000 0.297 424 F C 1.042 176.943 175.800 0.168 0.000 1.113 424 F CA 0.274 58.249 58.000 -0.042 0.000 1.367 424 F CB 0.043 39.011 39.000 -0.054 0.000 1.111 424 F HN -0.032 nan 8.300 nan 0.000 0.590 425 W N -0.949 120.312 121.300 -0.065 0.000 3.033 425 W HA 0.305 4.970 4.660 0.008 0.000 0.250 425 W C 1.952 178.360 176.519 -0.185 0.000 1.105 425 W CA -0.072 57.194 57.345 -0.131 0.000 1.655 425 W CB -0.867 28.517 29.460 -0.126 0.000 1.001 425 W HN -0.202 nan 8.180 nan 0.000 0.653 426 I N -0.767 119.814 120.570 0.019 0.000 2.270 426 I HA -0.194 3.981 4.170 0.008 0.000 0.239 426 I C 2.328 178.401 176.117 -0.072 0.000 1.080 426 I CA 1.118 62.322 61.300 -0.161 0.000 1.383 426 I CB -0.793 36.919 38.000 -0.481 0.000 1.097 426 I HN -0.228 nan 8.210 nan 0.000 0.420 427 F N 1.968 121.812 119.950 -0.177 0.000 2.126 427 F HA 0.040 4.572 4.527 0.008 0.000 0.299 427 F C 1.072 176.736 175.800 -0.228 0.000 1.096 427 F CA 1.408 59.301 58.000 -0.178 0.000 1.255 427 F CB -0.331 38.533 39.000 -0.227 0.000 0.997 427 F HN 0.123 nan 8.300 nan 0.000 0.479 428 G N -1.386 107.244 108.800 -0.282 0.000 2.957 428 G HA2 0.336 4.301 3.960 0.008 0.000 0.636 428 G HA3 0.336 4.301 3.960 0.008 0.000 0.636 428 G C 0.264 174.887 174.900 -0.462 0.000 1.401 428 G CA -0.416 44.462 45.100 -0.369 0.000 0.941 428 G HN 0.609 nan 8.290 nan 0.000 0.610 429 A N 1.438 124.040 122.820 -0.363 0.000 1.908 429 A HA -0.023 4.302 4.320 0.008 0.000 0.218 429 A C 2.000 179.356 177.584 -0.380 0.000 1.181 429 A CA 2.565 54.281 52.037 -0.534 0.000 0.627 429 A CB -0.264 18.639 19.000 -0.162 0.000 0.818 429 A HN 0.689 nan 8.150 nan 0.000 0.445 430 D N -0.451 119.855 120.400 -0.155 0.000 2.149 430 D HA -0.071 4.574 4.640 0.008 0.000 0.201 430 D C 1.889 178.120 176.300 -0.115 0.000 0.972 430 D CA 1.187 55.158 54.000 -0.047 0.000 0.835 430 D CB -0.248 40.510 40.800 -0.070 0.000 0.966 430 D HN 0.515 nan 8.370 nan 0.000 0.476 431 K N 1.027 121.252 120.400 -0.291 0.000 2.097 431 K HA -0.014 4.311 4.320 0.008 0.000 0.205 431 K C 2.196 178.637 176.600 -0.266 0.000 1.050 431 K CA 0.991 57.077 56.287 -0.335 0.000 0.938 431 K CB 0.005 32.068 32.500 -0.728 0.000 0.718 431 K HN -0.011 nan 8.250 nan 0.000 0.442 432 A N 1.715 124.219 122.820 -0.528 0.000 1.858 432 A HA -0.195 4.130 4.320 0.008 0.000 0.216 432 A C 1.949 179.356 177.584 -0.294 0.000 1.190 432 A CA 1.131 52.644 52.037 -0.874 0.000 0.617 432 A CB -1.071 16.885 19.000 -1.739 0.000 0.827 432 A HN 0.606 nan 8.150 nan 0.000 0.443 433 W N 1.032 122.096 121.300 -0.394 0.000 2.321 433 W HA -0.259 4.406 4.660 0.008 0.000 0.306 433 W C 1.936 178.456 176.519 0.002 0.000 1.217 433 W CA 2.485 59.827 57.345 -0.006 0.000 1.257 433 W CB -0.117 29.435 29.460 0.154 0.000 1.145 433 W HN 0.551 nan 8.180 nan 0.000 0.509 434 E N 0.983 121.208 120.200 0.041 0.000 2.072 434 E HA -0.286 4.069 4.350 0.008 0.000 0.191 434 E C 1.864 178.445 176.600 -0.033 0.000 0.985 434 E CA 2.096 58.479 56.400 -0.028 0.000 0.801 434 E CB -0.609 29.103 29.700 0.020 0.000 0.750 434 E HN 0.116 nan 8.360 nan 0.000 0.452 435 E N 0.219 120.445 120.200 0.044 0.000 2.110 435 E HA -0.105 4.250 4.350 0.008 0.000 0.193 435 E C 1.932 178.598 176.600 0.109 0.000 0.988 435 E CA 1.402 57.889 56.400 0.145 0.000 0.804 435 E CB -0.312 29.552 29.700 0.275 0.000 0.745 435 E HN 0.488 nan 8.360 nan 0.000 0.458 436 I N 0.628 121.231 120.570 0.053 0.000 2.179 436 I HA -0.258 3.917 4.170 0.008 0.000 0.242 436 I C 1.987 177.960 176.117 -0.240 0.000 1.088 436 I CA 1.128 62.393 61.300 -0.059 0.000 1.357 436 I CB -0.321 37.611 38.000 -0.113 0.000 1.051 436 I HN 0.133 nan 8.210 nan 0.000 0.409 437 N N 0.722 119.202 118.700 -0.368 0.000 2.409 437 N HA -0.071 4.674 4.740 0.008 0.000 0.179 437 N C 0.923 176.313 175.510 -0.200 0.000 1.032 437 N CA 0.191 53.010 53.050 -0.385 0.000 0.898 437 N CB -0.059 38.117 38.487 -0.517 0.000 0.971 437 N HN 0.265 nan 8.380 nan 0.000 0.441 438 R N 0.678 121.111 120.500 -0.113 0.000 2.480 438 R HA 0.051 4.396 4.340 0.008 0.000 0.303 438 R C 0.811 177.094 176.300 -0.029 0.000 0.985 438 R CA 1.013 57.087 56.100 -0.043 0.000 1.051 438 R CB -0.137 30.171 30.300 0.013 0.000 0.935 438 R HN 0.318 nan 8.270 nan 0.000 0.410 439 G N 2.580 111.362 108.800 -0.030 0.000 2.176 439 G HA2 -0.257 3.708 3.960 0.008 0.000 0.253 439 G HA3 -0.257 3.708 3.960 0.008 0.000 0.253 439 G C 0.383 175.259 174.900 -0.039 0.000 0.979 439 G CA -0.102 44.987 45.100 -0.018 0.000 0.641 439 G HN 0.946 nan 8.290 nan 0.000 0.530 440 G N -0.292 108.460 108.800 -0.079 0.000 2.340 440 G HA2 0.458 4.423 3.960 0.008 0.000 0.245 440 G HA3 0.458 4.423 3.960 0.008 0.000 0.245 440 G C 1.196 176.048 174.900 -0.080 0.000 1.294 440 G CA 0.091 45.126 45.100 -0.108 0.000 0.896 440 G HN 0.431 nan 8.290 nan 0.000 0.522 441 I N 1.732 122.260 120.570 -0.069 0.000 2.315 441 I HA 0.004 4.179 4.170 0.008 0.000 0.248 441 I C 1.223 177.308 176.117 -0.054 0.000 1.117 441 I CA 1.008 62.278 61.300 -0.049 0.000 1.404 441 I CB -0.236 37.741 38.000 -0.039 0.000 1.071 441 I HN 0.544 nan 8.210 nan 0.000 0.419 442 I N -2.811 117.714 120.570 -0.075 0.000 2.957 442 I HA 0.451 4.626 4.170 0.008 0.000 0.310 442 I C -0.519 175.515 176.117 -0.138 0.000 1.063 442 I CA -0.963 60.291 61.300 -0.077 0.000 1.033 442 I CB 1.580 39.552 38.000 -0.047 0.000 1.230 442 I HN -0.231 nan 8.210 nan 0.000 0.447 443 K N 2.118 122.442 120.400 -0.126 0.000 2.110 443 K HA 0.537 4.862 4.320 0.008 0.000 0.263 443 K C -0.956 175.499 176.600 -0.241 0.000 0.975 443 K CA -0.905 55.265 56.287 -0.196 0.000 0.895 443 K CB 2.256 34.695 32.500 -0.102 0.000 1.060 443 K HN 0.434 nan 8.250 nan 0.000 0.448 444 V N 4.457 124.098 119.914 -0.455 0.000 2.529 444 V HA 0.034 4.159 4.120 0.008 0.000 0.292 444 V C -2.051 174.077 176.094 0.056 0.000 1.028 444 V CA -1.375 60.630 62.300 -0.492 0.000 1.074 444 V CB 0.134 31.391 31.823 -0.944 0.000 0.958 444 V HN 0.667 nan 8.190 nan 0.000 0.481 445 P HA -0.013 nan 4.420 nan 0.000 0.261 445 P C 0.899 178.462 177.300 0.439 0.000 1.165 445 P CA 0.263 63.551 63.100 0.313 0.000 0.759 445 P CB 0.388 32.298 31.700 0.350 0.000 0.772 446 R N 3.124 123.819 120.500 0.326 0.000 2.117 446 R HA -0.198 4.147 4.340 0.008 0.000 0.243 446 R C 1.855 178.288 176.300 0.221 0.000 1.143 446 R CA 1.421 57.676 56.100 0.260 0.000 0.968 446 R CB -0.579 29.815 30.300 0.157 0.000 0.863 446 R HN 0.395 nan 8.270 nan 0.000 0.444 447 I N 0.355 121.048 120.570 0.206 0.000 2.335 447 I HA -0.287 3.888 4.170 0.008 0.000 0.251 447 I C 1.292 177.510 176.117 0.168 0.000 1.129 447 I CA 1.514 62.915 61.300 0.168 0.000 1.402 447 I CB -0.185 37.810 38.000 -0.008 0.000 1.069 447 I HN 0.228 nan 8.210 nan 0.000 0.424 448 Y N -1.542 118.916 120.300 0.263 0.000 2.497 448 Y HA -0.281 4.274 4.550 0.008 0.000 0.292 448 Y C 2.238 178.250 175.900 0.186 0.000 1.137 448 Y CA 1.410 59.673 58.100 0.271 0.000 1.285 448 Y CB -0.420 38.282 38.460 0.404 0.000 0.991 448 Y HN 0.331 nan 8.280 nan 0.000 0.556 449 Y N -0.682 119.576 120.300 -0.070 0.000 2.145 449 Y HA -0.355 4.200 4.550 0.008 0.000 0.286 449 Y C 1.576 177.293 175.900 -0.304 0.000 1.145 449 Y CA 1.713 59.505 58.100 -0.514 0.000 1.148 449 Y CB -0.671 36.977 38.460 -1.354 0.000 0.981 449 Y HN 0.116 nan 8.280 nan 0.000 0.507 450 Y N -1.423 118.950 120.300 0.123 0.000 2.395 450 Y HA -0.115 4.440 4.550 0.008 0.000 0.293 450 Y C 2.403 178.377 175.900 0.122 0.000 1.123 450 Y CA 1.079 59.304 58.100 0.209 0.000 1.227 450 Y CB -0.649 37.951 38.460 0.233 0.000 1.012 450 Y HN -0.028 nan 8.280 nan 0.000 0.552 451 V N -0.092 119.930 119.914 0.180 0.000 2.270 451 V HA -0.336 3.789 4.120 0.008 0.000 0.245 451 V C 2.218 178.307 176.094 -0.008 0.000 1.043 451 V CA 1.988 64.352 62.300 0.107 0.000 1.014 451 V CB -0.593 31.308 31.823 0.129 0.000 0.645 451 V HN 0.410 nan 8.190 nan 0.000 0.447 452 M N -0.775 118.738 119.600 -0.146 0.000 2.159 452 M HA -0.189 4.296 4.480 0.008 0.000 0.263 452 M C 2.437 178.367 176.300 -0.618 0.000 1.063 452 M CA 1.848 56.850 55.300 -0.497 0.000 1.110 452 M CB -0.376 31.648 32.600 -0.959 0.000 1.374 452 M HN 0.171 nan 8.290 nan 0.000 0.411 453 R N -0.931 119.224 120.500 -0.575 0.000 2.100 453 R HA -0.076 4.269 4.340 0.008 0.000 0.220 453 R C 1.246 177.364 176.300 -0.302 0.000 1.091 453 R CA 1.303 57.121 56.100 -0.471 0.000 0.986 453 R CB 0.290 30.077 30.300 -0.854 0.000 0.888 453 R HN 0.341 nan 8.270 nan 0.000 0.444 454 Y N -1.370 118.998 120.300 0.113 0.000 2.664 454 Y HA 0.172 4.726 4.550 0.008 0.000 0.278 454 Y C 1.886 177.871 175.900 0.141 0.000 1.130 454 Y CA -0.313 57.889 58.100 0.171 0.000 1.260 454 Y CB 0.206 38.748 38.460 0.137 0.000 1.369 454 Y HN -0.114 nan 8.280 nan 0.000 0.499 455 I N -0.050 120.664 120.570 0.240 0.000 2.235 455 I HA -0.145 4.030 4.170 0.008 0.000 0.241 455 I C 1.987 178.193 176.117 0.148 0.000 1.085 455 I CA 1.491 62.894 61.300 0.172 0.000 1.378 455 I CB -1.649 36.413 38.000 0.104 0.000 1.076 455 I HN 0.173 nan 8.210 nan 0.000 0.415 456 T N 2.958 117.548 114.554 0.060 0.000 2.652 456 T HA -0.082 4.273 4.350 0.008 0.000 0.267 456 T C -0.339 174.421 174.700 0.099 0.000 1.039 456 T CA 1.810 63.934 62.100 0.040 0.000 1.153 456 T CB -1.572 67.264 68.868 -0.054 0.000 0.863 456 T HN 0.294 nan 8.240 nan 0.000 0.428 457 P HA 0.032 nan 4.420 nan 0.000 0.217 457 P C 1.402 178.761 177.300 0.098 0.000 1.150 457 P CA 1.307 64.390 63.100 -0.028 0.000 0.832 457 P CB -0.166 31.416 31.700 -0.196 0.000 0.787 458 A N -0.944 121.986 122.820 0.184 0.000 1.929 458 A HA -0.118 4.207 4.320 0.008 0.000 0.216 458 A C 2.122 179.808 177.584 0.170 0.000 1.176 458 A CA 0.814 52.962 52.037 0.184 0.000 0.628 458 A CB -1.722 17.396 19.000 0.197 0.000 0.816 458 A HN 0.060 nan 8.150 nan 0.000 0.444 459 F N 0.634 120.615 119.950 0.052 0.000 2.069 459 F HA -0.162 4.370 4.527 0.008 0.000 0.298 459 F C 1.995 177.836 175.800 0.069 0.000 1.113 459 F CA 1.920 59.943 58.000 0.039 0.000 1.214 459 F CB -0.161 38.867 39.000 0.047 0.000 0.978 459 F HN 0.128 nan 8.300 nan 0.000 0.474 460 L N -0.833 120.564 121.223 0.290 0.000 2.156 460 L HA -0.116 4.229 4.340 0.008 0.000 0.208 460 L C 2.645 179.594 176.870 0.132 0.000 1.095 460 L CA 0.874 55.850 54.840 0.226 0.000 0.770 460 L CB -1.081 41.124 42.059 0.243 0.000 0.914 460 L HN 0.200 nan 8.230 nan 0.000 0.439 461 A N -0.144 122.737 122.820 0.103 0.000 1.898 461 A HA -0.112 4.213 4.320 0.008 0.000 0.216 461 A C 2.326 179.957 177.584 0.078 0.000 1.181 461 A CA 1.434 53.526 52.037 0.092 0.000 0.620 461 A CB -0.684 18.372 19.000 0.094 0.000 0.819 461 A HN 0.158 nan 8.150 nan 0.000 0.442 462 V N -0.275 119.658 119.914 0.032 0.000 2.343 462 V HA -0.236 3.889 4.120 0.008 0.000 0.247 462 V C 2.503 178.590 176.094 -0.011 0.000 1.051 462 V CA 1.926 64.219 62.300 -0.011 0.000 1.036 462 V CB -0.792 30.979 31.823 -0.087 0.000 0.654 462 V HN 0.587 nan 8.190 nan 0.000 0.451 463 L N -0.544 120.653 121.223 -0.043 0.000 2.012 463 L HA -0.191 4.154 4.340 0.008 0.000 0.210 463 L C 2.227 179.205 176.870 0.180 0.000 1.073 463 L CA 1.955 56.792 54.840 -0.005 0.000 0.748 463 L CB -0.304 41.750 42.059 -0.008 0.000 0.891 463 L HN 0.211 nan 8.230 nan 0.000 0.431 464 L N -1.867 119.500 121.223 0.240 0.000 2.201 464 L HA -0.166 4.179 4.340 0.008 0.000 0.212 464 L C 2.278 179.306 176.870 0.263 0.000 1.105 464 L CA 0.413 55.444 54.840 0.319 0.000 0.775 464 L CB -0.322 41.865 42.059 0.214 0.000 0.913 464 L HN 0.128 nan 8.230 nan 0.000 0.440 465 V N -0.917 119.108 119.914 0.185 0.000 2.323 465 V HA -0.215 3.910 4.120 0.008 0.000 0.244 465 V C 2.345 178.548 176.094 0.181 0.000 1.041 465 V CA 1.416 63.809 62.300 0.154 0.000 1.025 465 V CB -0.010 31.875 31.823 0.104 0.000 0.656 465 V HN 0.182 nan 8.190 nan 0.000 0.451 466 V N -1.322 118.697 119.914 0.175 0.000 2.490 466 V HA -0.247 3.878 4.120 0.008 0.000 0.250 466 V C 2.141 178.452 176.094 0.362 0.000 1.061 466 V CA 1.750 64.167 62.300 0.196 0.000 1.064 466 V CB -0.705 31.199 31.823 0.134 0.000 0.670 466 V HN 0.670 nan 8.190 nan 0.000 0.461 467 W N 1.013 122.434 121.300 0.201 0.000 2.353 467 W HA -0.196 4.470 4.660 0.010 0.000 0.319 467 W C 2.655 179.311 176.519 0.229 0.000 1.207 467 W CA 2.231 59.721 57.345 0.241 0.000 1.291 467 W CB -0.886 28.633 29.460 0.099 0.000 1.159 467 W HN 0.278 nan 8.180 nan 0.000 0.478 468 A N 0.157 123.218 122.820 0.401 0.000 1.969 468 A HA -0.165 4.160 4.320 0.008 0.000 0.218 468 A C 2.121 179.825 177.584 0.200 0.000 1.169 468 A CA 1.630 53.809 52.037 0.238 0.000 0.635 468 A CB -0.565 18.529 19.000 0.157 0.000 0.810 468 A HN 0.342 nan 8.150 nan 0.000 0.445 469 R N -0.818 119.795 120.500 0.188 0.000 2.066 469 R HA 0.014 4.359 4.340 0.008 0.000 0.224 469 R C 1.336 177.676 176.300 0.066 0.000 1.122 469 R CA 1.232 57.400 56.100 0.113 0.000 0.974 469 R CB -0.056 30.298 30.300 0.089 0.000 0.871 469 R HN 0.404 nan 8.270 nan 0.000 0.435 470 E N -1.004 119.225 120.200 0.047 0.000 2.476 470 E HA 0.028 4.383 4.350 0.008 0.000 0.199 470 E C 0.531 176.879 176.600 -0.421 0.000 1.021 470 E CA 0.609 56.876 56.400 -0.222 0.000 0.907 470 E CB 0.602 30.072 29.700 -0.383 0.000 0.974 470 E HN 0.397 nan 8.360 nan 0.000 0.489 471 Y N -0.608 119.785 120.300 0.156 0.000 2.640 471 Y HA 0.195 4.750 4.550 0.008 0.000 0.274 471 Y C 2.024 178.016 175.900 0.152 0.000 1.164 471 Y CA -0.147 58.059 58.100 0.177 0.000 1.189 471 Y CB 0.142 38.772 38.460 0.283 0.000 1.333 471 Y HN -0.051 nan 8.280 nan 0.000 0.494 472 I N -0.436 120.324 120.570 0.317 0.000 3.030 472 I HA 0.145 4.320 4.170 0.008 0.000 0.270 472 I C -1.027 175.155 176.117 0.107 0.000 1.211 472 I CA -0.008 61.398 61.300 0.176 0.000 1.479 472 I CB -0.843 37.279 38.000 0.203 0.000 1.105 472 I HN -0.117 nan 8.210 nan 0.000 0.447 473 P HA -0.143 nan 4.420 nan 0.000 0.220 473 P C 1.209 178.543 177.300 0.057 0.000 1.148 473 P CA 1.536 64.687 63.100 0.085 0.000 0.803 473 P CB -0.030 31.711 31.700 0.069 0.000 0.782 474 K N -0.168 120.254 120.400 0.036 0.000 2.057 474 K HA -0.028 4.297 4.320 0.008 0.000 0.206 474 K C 2.252 178.842 176.600 -0.017 0.000 1.050 474 K CA 1.146 57.442 56.287 0.014 0.000 0.935 474 K CB -0.497 32.009 32.500 0.010 0.000 0.715 474 K HN 0.161 nan 8.250 nan 0.000 0.439 475 I N 0.699 121.226 120.570 -0.072 0.000 2.546 475 I HA -0.193 3.982 4.170 0.008 0.000 0.255 475 I C 2.151 178.218 176.117 -0.083 0.000 1.163 475 I CA 0.733 61.924 61.300 -0.182 0.000 1.457 475 I CB -0.094 37.608 38.000 -0.497 0.000 1.092 475 I HN 0.155 nan 8.210 nan 0.000 0.434 476 M N -0.447 119.164 119.600 0.018 0.000 2.419 476 M HA -0.073 4.412 4.480 0.008 0.000 0.264 476 M C 1.936 178.312 176.300 0.126 0.000 1.082 476 M CA 1.439 56.802 55.300 0.105 0.000 1.119 476 M CB -0.644 32.060 32.600 0.173 0.000 1.398 476 M HN 0.301 nan 8.290 nan 0.000 0.453 477 E N -0.394 119.860 120.200 0.090 0.000 2.421 477 E HA -0.003 4.352 4.350 0.008 0.000 0.209 477 E C 0.361 177.010 176.600 0.081 0.000 0.871 477 E CA 0.101 56.562 56.400 0.102 0.000 1.064 477 E CB 0.880 30.632 29.700 0.087 0.000 1.075 477 E HN 0.219 nan 8.360 nan 0.000 0.513 478 E N 1.499 121.728 120.200 0.049 0.000 2.423 478 E HA 0.086 4.441 4.350 0.008 0.000 0.198 478 E C -0.197 176.424 176.600 0.036 0.000 1.038 478 E CA 0.110 56.535 56.400 0.041 0.000 1.011 478 E CB 1.006 30.720 29.700 0.024 0.000 1.118 478 E HN 0.177 nan 8.360 nan 0.000 0.451 479 T N -2.576 112.006 114.554 0.047 0.000 2.940 479 T HA 0.268 4.623 4.350 0.008 0.000 0.288 479 T C 0.198 174.965 174.700 0.111 0.000 1.033 479 T CA -0.763 61.365 62.100 0.046 0.000 1.033 479 T CB 2.105 70.963 68.868 -0.017 0.000 1.079 479 T HN 0.099 nan 8.240 nan 0.000 0.496 480 H N 1.442 120.513 119.070 0.002 0.000 2.871 480 H HA -0.020 4.541 4.556 0.008 0.000 0.355 480 H C 1.122 176.472 175.328 0.037 0.000 1.092 480 H CA 0.148 56.194 56.048 -0.003 0.000 1.420 480 H CB 0.552 30.238 29.762 -0.127 0.000 1.400 480 H HN 0.935 nan 8.280 nan 0.000 0.604 481 W N 4.080 125.208 121.300 -0.286 0.000 2.387 481 W HA -0.164 4.502 4.660 0.009 0.000 0.272 481 W C 1.133 177.752 176.519 0.166 0.000 1.224 481 W CA 1.227 58.574 57.345 0.003 0.000 1.210 481 W CB -1.158 28.246 29.460 -0.094 0.000 1.125 481 W HN 0.545 nan 8.180 nan 0.000 0.572 482 T N 0.195 114.431 114.554 -0.531 0.000 3.051 482 T HA -0.156 4.199 4.350 0.008 0.000 0.269 482 T C 1.943 176.616 174.700 -0.045 0.000 1.127 482 T CA 1.576 63.409 62.100 -0.446 0.000 1.107 482 T CB -1.002 67.548 68.868 -0.530 0.000 0.898 482 T HN 0.205 nan 8.240 nan 0.000 0.517 483 V N -2.359 117.554 119.914 -0.002 0.000 2.594 483 V HA -0.035 4.090 4.120 0.008 0.000 0.253 483 V C 2.134 178.226 176.094 -0.005 0.000 1.069 483 V CA 0.767 63.048 62.300 -0.031 0.000 1.082 483 V CB -1.460 30.290 31.823 -0.121 0.000 0.680 483 V HN 0.635 nan 8.190 nan 0.000 0.469 484 W N 0.206 121.615 121.300 0.181 0.000 2.525 484 W HA 0.185 4.851 4.660 0.009 0.000 0.259 484 W C 2.215 178.881 176.519 0.245 0.000 1.253 484 W CA 0.750 58.221 57.345 0.209 0.000 1.262 484 W CB -0.318 29.265 29.460 0.205 0.000 1.122 484 W HN 0.239 nan 8.180 nan 0.000 0.607 485 I N -0.559 120.252 120.570 0.402 0.000 2.202 485 I HA -0.267 3.908 4.170 0.008 0.000 0.242 485 I C 2.295 178.638 176.117 0.376 0.000 1.091 485 I CA 1.430 62.944 61.300 0.356 0.000 1.368 485 I CB -1.036 37.097 38.000 0.222 0.000 1.058 485 I HN -0.179 nan 8.210 nan 0.000 0.410 486 T N 0.521 115.234 114.554 0.266 0.000 2.737 486 T HA -0.122 4.233 4.350 0.008 0.000 0.265 486 T C 2.037 176.917 174.700 0.299 0.000 1.038 486 T CA 1.205 63.462 62.100 0.261 0.000 1.144 486 T CB -0.235 68.743 68.868 0.183 0.000 0.866 486 T HN 0.259 nan 8.240 nan 0.000 0.434 487 R N 0.169 120.810 120.500 0.235 0.000 2.083 487 R HA -0.068 4.277 4.340 0.008 0.000 0.237 487 R C 2.210 178.671 176.300 0.269 0.000 1.137 487 R CA 1.604 57.793 56.100 0.149 0.000 0.951 487 R CB -0.626 29.654 30.300 -0.033 0.000 0.851 487 R HN 0.364 nan 8.270 nan 0.000 0.434 488 F N 0.474 120.586 119.950 0.269 0.000 2.095 488 F HA -0.293 4.239 4.527 0.008 0.000 0.298 488 F C 2.198 178.136 175.800 0.231 0.000 1.104 488 F CA 1.499 59.646 58.000 0.246 0.000 1.232 488 F CB -0.549 38.608 39.000 0.261 0.000 0.987 488 F HN -0.010 nan 8.300 nan 0.000 0.475 489 Y N 1.416 121.789 120.300 0.122 0.000 2.163 489 Y HA -0.184 4.371 4.550 0.008 0.000 0.288 489 Y C 2.288 178.223 175.900 0.060 0.000 1.136 489 Y CA 2.288 60.400 58.100 0.020 0.000 1.147 489 Y CB -0.634 37.915 38.460 0.148 0.000 0.987 489 Y HN 0.278 nan 8.280 nan 0.000 0.509 490 I N -2.292 118.385 120.570 0.179 0.000 2.676 490 I HA -0.119 4.056 4.170 0.008 0.000 0.259 490 I C 1.905 178.222 176.117 0.333 0.000 1.194 490 I CA 1.252 62.727 61.300 0.291 0.000 1.473 490 I CB -0.559 37.708 38.000 0.444 0.000 1.096 490 I HN 0.156 nan 8.210 nan 0.000 0.443 491 I N 2.284 122.895 120.570 0.069 0.000 2.315 491 I HA -0.111 4.064 4.170 0.008 0.000 0.248 491 I C 2.778 178.831 176.117 -0.106 0.000 1.117 491 I CA 1.455 62.707 61.300 -0.081 0.000 1.404 491 I CB -0.766 37.162 38.000 -0.120 0.000 1.071 491 I HN 0.366 nan 8.210 nan 0.000 0.419 492 G N 1.127 109.782 108.800 -0.242 0.000 2.418 492 G HA2 -0.198 3.767 3.960 0.008 0.000 0.217 492 G HA3 -0.198 3.767 3.960 0.008 0.000 0.217 492 G C 1.718 176.543 174.900 -0.125 0.000 1.158 492 G CA 0.458 45.393 45.100 -0.275 0.000 0.771 492 G HN 0.256 nan 8.290 nan 0.000 0.545 493 L N -0.908 120.248 121.223 -0.110 0.000 2.079 493 L HA -0.029 4.316 4.340 0.008 0.000 0.210 493 L C 2.549 179.574 176.870 0.257 0.000 1.081 493 L CA 1.013 55.917 54.840 0.106 0.000 0.752 493 L CB -0.387 41.760 42.059 0.145 0.000 0.896 493 L HN 0.255 nan 8.230 nan 0.000 0.433 494 F N 0.451 120.416 119.950 0.025 0.000 2.134 494 F HA -0.224 4.308 4.527 0.008 0.000 0.299 494 F C 2.233 177.909 175.800 -0.206 0.000 1.097 494 F CA 1.457 59.294 58.000 -0.272 0.000 1.264 494 F CB -0.024 38.523 39.000 -0.755 0.000 1.001 494 F HN -0.116 nan 8.300 nan 0.000 0.479 495 L N -1.039 120.225 121.223 0.069 0.000 2.083 495 L HA -0.211 4.134 4.340 0.008 0.000 0.209 495 L C 2.386 179.264 176.870 0.013 0.000 1.083 495 L CA 1.255 56.105 54.840 0.018 0.000 0.752 495 L CB -0.927 41.131 42.059 -0.002 0.000 0.899 495 L HN 0.239 nan 8.230 nan 0.000 0.433 496 F N 1.002 120.898 119.950 -0.090 0.000 2.102 496 F HA -0.220 4.312 4.527 0.008 0.000 0.298 496 F C 2.125 177.900 175.800 -0.041 0.000 1.105 496 F CA 1.585 59.561 58.000 -0.039 0.000 1.239 496 F CB -0.330 38.639 39.000 -0.052 0.000 0.991 496 F HN -0.131 nan 8.300 nan 0.000 0.474 497 L N -0.430 120.551 121.223 -0.403 0.000 2.141 497 L HA -0.187 4.158 4.340 0.008 0.000 0.209 497 L C 2.337 178.874 176.870 -0.555 0.000 1.094 497 L CA 1.593 56.061 54.840 -0.619 0.000 0.763 497 L CB -1.180 40.565 42.059 -0.524 0.000 0.908 497 L HN 0.148 nan 8.230 nan 0.000 0.437 498 T N -0.198 114.071 114.554 -0.474 0.000 2.746 498 T HA -0.224 4.131 4.350 0.008 0.000 0.267 498 T C 1.624 176.256 174.700 -0.114 0.000 1.039 498 T CA 1.445 63.349 62.100 -0.327 0.000 1.142 498 T CB -0.358 68.363 68.868 -0.245 0.000 0.866 498 T HN 0.212 nan 8.240 nan 0.000 0.444 499 F N 1.676 121.491 119.950 -0.224 0.000 2.171 499 F HA 0.036 4.568 4.527 0.008 0.000 0.300 499 F C 1.852 177.610 175.800 -0.070 0.000 1.090 499 F CA 0.853 58.776 58.000 -0.129 0.000 1.293 499 F CB -0.459 38.463 39.000 -0.130 0.000 1.013 499 F HN 0.071 nan 8.300 nan 0.000 0.486 500 L N -1.043 120.006 121.223 -0.290 0.000 2.141 500 L HA -0.168 4.177 4.340 0.008 0.000 0.209 500 L C 2.314 179.178 176.870 -0.010 0.000 1.094 500 L CA 0.748 55.440 54.840 -0.246 0.000 0.763 500 L CB -0.848 41.045 42.059 -0.277 0.000 0.908 500 L HN -0.006 nan 8.230 nan 0.000 0.437 501 V N -0.302 119.573 119.914 -0.064 0.000 2.427 501 V HA -0.296 3.829 4.120 0.008 0.000 0.248 501 V C 2.250 178.317 176.094 -0.044 0.000 1.051 501 V CA 1.721 64.027 62.300 0.011 0.000 1.048 501 V CB -0.586 31.159 31.823 -0.130 0.000 0.666 501 V HN 0.338 nan 8.190 nan 0.000 0.456 502 F N 0.565 120.390 119.950 -0.207 0.000 2.095 502 F HA -0.201 4.331 4.527 0.008 0.000 0.298 502 F C 2.024 177.663 175.800 -0.268 0.000 1.104 502 F CA 1.789 59.658 58.000 -0.217 0.000 1.232 502 F CB -0.184 38.699 39.000 -0.195 0.000 0.987 502 F HN 0.034 nan 8.300 nan 0.000 0.475 503 L N -0.172 120.871 121.223 -0.301 0.000 2.141 503 L HA -0.141 4.204 4.340 0.008 0.000 0.209 503 L C 2.788 179.469 176.870 -0.315 0.000 1.094 503 L CA 0.952 55.566 54.840 -0.377 0.000 0.763 503 L CB -1.146 40.681 42.059 -0.387 0.000 0.908 503 L HN 0.265 nan 8.230 nan 0.000 0.437 504 A N 0.874 123.551 122.820 -0.239 0.000 1.933 504 A HA -0.214 4.111 4.320 0.008 0.000 0.218 504 A C 2.213 179.665 177.584 -0.220 0.000 1.175 504 A CA 1.727 53.630 52.037 -0.223 0.000 0.628 504 A CB -0.414 18.473 19.000 -0.189 0.000 0.814 504 A HN 0.628 nan 8.150 nan 0.000 0.444 505 E N -1.095 118.948 120.200 -0.262 0.000 2.158 505 E HA -0.133 4.222 4.350 0.008 0.000 0.191 505 E C 1.904 178.333 176.600 -0.286 0.000 0.982 505 E CA 0.436 56.675 56.400 -0.267 0.000 0.823 505 E CB -0.276 29.248 29.700 -0.295 0.000 0.766 505 E HN 0.294 nan 8.360 nan 0.000 0.468 506 R N 1.073 121.331 120.500 -0.404 0.000 2.096 506 R HA -0.022 4.323 4.340 0.008 0.000 0.235 506 R C 2.336 178.524 176.300 -0.187 0.000 1.127 506 R CA 1.141 57.034 56.100 -0.346 0.000 0.968 506 R CB -0.759 29.254 30.300 -0.478 0.000 0.861 506 R HN 0.269 nan 8.270 nan 0.000 0.440 507 R N 0.831 121.223 120.500 -0.179 0.000 2.092 507 R HA -0.056 4.289 4.340 0.008 0.000 0.231 507 R C 2.281 178.558 176.300 -0.039 0.000 1.119 507 R CA 1.156 57.202 56.100 -0.091 0.000 0.970 507 R CB -0.116 30.111 30.300 -0.121 0.000 0.864 507 R HN 0.089 nan 8.270 nan 0.000 0.440 508 R N 0.467 120.916 120.500 -0.085 0.000 2.081 508 R HA -0.098 4.247 4.340 0.008 0.000 0.235 508 R C 1.639 177.908 176.300 -0.052 0.000 1.131 508 R CA 1.959 58.021 56.100 -0.063 0.000 0.960 508 R CB -0.253 30.003 30.300 -0.074 0.000 0.856 508 R HN 0.415 nan 8.270 nan 0.000 0.436 509 N N -0.674 117.988 118.700 -0.063 0.000 2.166 509 N HA -0.213 4.532 4.740 0.008 0.000 0.186 509 N C 1.907 177.407 175.510 -0.016 0.000 1.019 509 N CA 1.001 54.022 53.050 -0.047 0.000 0.856 509 N CB -0.254 38.192 38.487 -0.069 0.000 0.993 509 N HN 0.353 nan 8.380 nan 0.000 0.426 510 H N 1.030 120.051 119.070 -0.082 0.000 2.428 510 H HA -0.037 4.524 4.556 0.008 0.000 0.296 510 H C 1.553 176.849 175.328 -0.053 0.000 1.062 510 H CA 1.239 57.248 56.048 -0.064 0.000 1.350 510 H CB 0.384 30.104 29.762 -0.070 0.000 1.403 510 H HN 0.146 nan 8.280 nan 0.000 0.533 511 E N 0.411 120.517 120.200 -0.157 0.000 2.152 511 E HA -0.050 4.305 4.350 0.008 0.000 0.192 511 E C 2.240 178.746 176.600 -0.157 0.000 0.983 511 E CA 1.034 57.325 56.400 -0.182 0.000 0.818 511 E CB 0.090 29.749 29.700 -0.068 0.000 0.758 511 E HN 0.283 nan 8.360 nan 0.000 0.467 512 S N -0.637 114.997 115.700 -0.110 0.000 2.496 512 S HA 0.113 4.588 4.470 0.008 0.000 0.224 512 S C 1.496 176.043 174.600 -0.088 0.000 0.996 512 S CA 0.560 58.714 58.200 -0.078 0.000 0.927 512 S CB 0.398 63.571 63.200 -0.044 0.000 0.774 512 S HN 0.366 nan 8.310 nan 0.000 0.524 513 A N 0.638 123.382 122.820 -0.125 0.000 2.345 513 A HA 0.547 4.872 4.320 0.008 0.000 0.225 513 A C 1.699 179.189 177.584 -0.156 0.000 1.243 513 A CA 0.475 52.445 52.037 -0.112 0.000 0.875 513 A CB -0.189 18.764 19.000 -0.078 0.000 0.929 513 A HN 0.459 nan 8.150 nan 0.000 0.502 514 G N -0.710 107.961 108.800 -0.215 0.000 2.781 514 G HA2 0.278 4.243 3.960 0.008 0.000 0.208 514 G HA3 0.278 4.243 3.960 0.008 0.000 0.208 514 G C 0.882 175.709 174.900 -0.121 0.000 1.099 514 G CA 0.952 45.928 45.100 -0.206 0.000 0.776 514 G HN 0.563 nan 8.290 nan 0.000 0.532 515 T N 0.000 114.493 114.554 -0.102 0.000 3.816 515 T HA 0.000 4.355 4.350 0.008 0.000 0.228 515 T CA 0.000 62.060 62.100 -0.067 0.000 1.349 515 T CB 0.000 68.832 68.868 -0.059 0.000 0.612 515 T HN 0.000 nan 8.240 nan 0.000 0.658