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 3mmp_1_A DATA FIRST_RESID 3 DATA SEQUENCE ITASLVKELR ERTGAGMMDC KKALTEANGD IELAIENMRK SGAIKAAKKA DATA SEQUENCE GNVAADGVIK TKIDGNYGII LEVNCQTDFV AKDAGFQAFA DKVLDAAVAG DATA SEQUENCE KITDVEVLKA QFEEERVALV AKIGENINIR RVAALEGDVL GSYQHGARIG DATA SEQUENCE VLVAAKGADE ELVKHIAMHV AASKPEFIKP EDVSAEVVEK EYQVQLDIAM DATA SEQUENCE QSGKPKEIAE KMVEGRMKKF TGEVSLTGQP FVMEPSKTVG QLLKEHNAEV DATA SEQUENCE TGFIRFEVGE GIEKVETDFA AEVAAMSKQS XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXKPHV NVGTIGHVDH GKTTLTAAIT TVLAKTYGGX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XTSHVEYDTP TRHYAHVDCP GHADYVKNMI TGAAQMDGAI DATA SEQUENCE LVVAATDGPM PQTREHILLG RQVGVPYIIV FLNKCDMVDD EELLELVEME DATA SEQUENCE VRELLSQYDF PGDDTPIVRG SALKALEGDA EWEAKILELA GFLDSYIPEP DATA SEQUENCE ERAIDKPFLL PIEDVFSISG RGTVVTGRVE RGIIKVGEEV EIVGIKETQK DATA SEQUENCE STCTGVEMFR KLLDEGRAGE NVGVLLRGIK REEIERGQVL AKPGTIKPHT DATA SEQUENCE KFESEVYILS KDEGGRHTPF FKGYRPQFYF RTTDVTGTIE LPEGVEMVMP DATA SEQUENCE GDNIKMVVTL IHPIAMDDGL RFAIREGGRT VGAGVVAKVL S 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 3 I HA 0.000 nan 4.170 nan 0.000 0.288 3 I C 0.000 176.117 176.117 -0.000 0.000 1.063 3 I CA 0.000 61.300 61.300 0.000 0.000 1.566 3 I CB 0.000 38.000 38.000 0.000 0.000 1.214 4 T N 0.310 114.864 114.554 -0.000 0.000 2.874 4 T HA 0.679 5.007 4.350 -0.036 0.000 0.281 4 T C 1.392 176.092 174.700 -0.001 0.000 0.994 4 T CA 0.215 62.315 62.100 -0.000 0.000 1.015 4 T CB 2.239 71.107 68.868 -0.000 0.000 1.028 4 T HN 0.484 nan 8.240 nan 0.000 0.523 5 A N 1.526 124.345 122.820 -0.001 0.000 1.969 5 A HA 0.010 4.309 4.320 -0.036 0.000 0.218 5 A C 2.510 180.093 177.584 -0.001 0.000 1.169 5 A CA 1.698 53.734 52.037 -0.002 0.000 0.635 5 A CB -1.362 17.636 19.000 -0.003 0.000 0.810 5 A HN 0.931 nan 8.150 nan 0.000 0.445 6 S N -0.043 115.656 115.700 -0.001 0.000 2.368 6 S HA -0.166 4.283 4.470 -0.036 0.000 0.225 6 S C 1.809 176.409 174.600 0.000 0.000 1.030 6 S CA 1.439 59.639 58.200 -0.000 0.000 0.999 6 S CB -0.514 62.686 63.200 0.000 0.000 0.844 6 S HN 0.446 nan 8.310 nan 0.000 0.459 7 L N 2.146 123.369 121.223 0.000 0.000 2.027 7 L HA 0.032 4.351 4.340 -0.036 0.000 0.206 7 L C 2.330 179.201 176.870 0.001 0.000 1.074 7 L CA 1.363 56.203 54.840 0.001 0.000 0.745 7 L CB -0.754 41.305 42.059 0.001 0.000 0.898 7 L HN 0.142 nan 8.230 nan 0.000 0.433 8 V N 0.176 120.089 119.914 -0.000 0.000 2.324 8 V HA -0.370 3.728 4.120 -0.036 0.000 0.250 8 V C 2.667 178.761 176.094 -0.000 0.000 1.060 8 V CA 2.229 64.529 62.300 -0.001 0.000 1.042 8 V CB -0.815 31.007 31.823 -0.002 0.000 0.650 8 V HN 0.553 nan 8.190 nan 0.000 0.450 9 K N 0.049 120.449 120.400 -0.000 0.000 2.063 9 K HA -0.296 4.003 4.320 -0.036 0.000 0.208 9 K C 2.171 178.772 176.600 0.002 0.000 1.048 9 K CA 2.152 58.440 56.287 0.000 0.000 0.928 9 K CB -0.121 32.380 32.500 0.000 0.000 0.713 9 K HN 0.491 nan 8.250 nan 0.000 0.442 10 E N 0.844 121.045 120.200 0.002 0.000 2.038 10 E HA -0.218 4.111 4.350 -0.036 0.000 0.195 10 E C 1.878 178.481 176.600 0.004 0.000 1.000 10 E CA 1.382 57.784 56.400 0.003 0.000 0.803 10 E CB -0.332 29.370 29.700 0.003 0.000 0.750 10 E HN 0.298 nan 8.360 nan 0.000 0.448 11 L N 0.661 121.886 121.223 0.003 0.000 2.191 11 L HA -0.063 4.255 4.340 -0.036 0.000 0.212 11 L C 2.237 179.109 176.870 0.004 0.000 1.103 11 L CA 1.548 56.390 54.840 0.003 0.000 0.769 11 L CB -0.346 41.715 42.059 0.003 0.000 0.908 11 L HN 0.068 nan 8.230 nan 0.000 0.438 12 R N 0.347 120.849 120.500 0.003 0.000 2.061 12 R HA -0.149 4.169 4.340 -0.036 0.000 0.230 12 R C 1.936 178.239 176.300 0.005 0.000 1.140 12 R CA 1.873 57.975 56.100 0.003 0.000 0.940 12 R CB -0.272 30.029 30.300 0.001 0.000 0.839 12 R HN 0.702 nan 8.270 nan 0.000 0.429 13 E N -0.505 119.698 120.200 0.006 0.000 2.482 13 E HA -0.128 4.201 4.350 -0.036 0.000 0.196 13 E C 1.733 178.338 176.600 0.009 0.000 1.047 13 E CA 0.517 56.922 56.400 0.008 0.000 0.869 13 E CB -0.051 29.653 29.700 0.008 0.000 0.836 13 E HN 0.161 nan 8.360 nan 0.000 0.520 14 R N 0.057 120.562 120.500 0.008 0.000 2.254 14 R HA 0.097 4.416 4.340 -0.036 0.000 0.195 14 R C 1.098 177.404 176.300 0.010 0.000 0.957 14 R CA 0.984 57.090 56.100 0.009 0.000 1.024 14 R CB 0.487 30.791 30.300 0.008 0.000 0.952 14 R HN 0.083 nan 8.270 nan 0.000 0.484 15 T N -2.257 112.302 114.554 0.009 0.000 3.058 15 T HA 0.183 4.512 4.350 -0.036 0.000 0.247 15 T C 0.962 175.666 174.700 0.008 0.000 0.987 15 T CA 0.607 62.712 62.100 0.008 0.000 1.062 15 T CB 0.955 69.827 68.868 0.007 0.000 1.048 15 T HN 0.357 nan 8.240 nan 0.000 0.468 16 G N 1.912 110.715 108.800 0.006 0.000 2.179 16 G HA2 -0.109 3.830 3.960 -0.036 0.000 0.260 16 G HA3 -0.109 3.830 3.960 -0.036 0.000 0.260 16 G C 0.260 175.160 174.900 -0.001 0.000 0.977 16 G CA 0.137 45.239 45.100 0.003 0.000 0.641 16 G HN 0.920 nan 8.290 nan 0.000 0.533 17 A N 0.266 123.087 122.820 0.001 0.000 2.304 17 A HA 0.793 5.092 4.320 -0.036 0.000 0.271 17 A C 1.318 178.902 177.584 0.001 0.000 1.091 17 A CA 0.718 52.756 52.037 0.001 0.000 0.812 17 A CB 0.346 19.348 19.000 0.003 0.000 1.056 17 A HN 1.832 nan 8.150 nan 0.000 0.489 18 G N -0.165 108.637 108.800 0.003 0.000 2.647 18 G HA2 0.229 4.167 3.960 -0.036 0.000 0.234 18 G HA3 0.229 4.167 3.960 -0.036 0.000 0.234 18 G C 0.739 175.636 174.900 -0.005 0.000 1.252 18 G CA 0.427 45.528 45.100 0.002 0.000 0.846 18 G HN 0.802 nan 8.290 nan 0.000 0.589 19 M N 1.480 121.073 119.600 -0.011 0.000 2.065 19 M HA -0.081 4.378 4.480 -0.036 0.000 0.259 19 M C 2.405 178.698 176.300 -0.013 0.000 1.069 19 M CA 1.707 56.998 55.300 -0.014 0.000 1.110 19 M CB -0.275 32.312 32.600 -0.021 0.000 1.328 19 M HN 0.472 nan 8.290 nan 0.000 0.405 20 M N -0.315 119.274 119.600 -0.017 0.000 2.254 20 M HA -0.125 4.333 4.480 -0.036 0.000 0.265 20 M C 1.548 177.843 176.300 -0.008 0.000 1.066 20 M CA 1.268 56.560 55.300 -0.015 0.000 1.123 20 M CB -1.539 31.049 32.600 -0.021 0.000 1.388 20 M HN 0.216 nan 8.290 nan 0.000 0.425 21 D N 0.120 120.517 120.400 -0.005 0.000 2.149 21 D HA -0.142 4.477 4.640 -0.036 0.000 0.198 21 D C 2.131 178.430 176.300 -0.001 0.000 0.990 21 D CA 1.175 55.174 54.000 -0.001 0.000 0.839 21 D CB -0.242 40.560 40.800 0.003 0.000 0.948 21 D HN 0.356 nan 8.370 nan 0.000 0.460 22 C N 0.402 119.701 119.300 -0.002 0.000 2.476 22 C HA -0.036 4.402 4.460 -0.036 0.000 0.278 22 C C 2.543 177.532 174.990 -0.001 0.000 1.274 22 C CA 0.185 59.202 59.018 -0.001 0.000 1.713 22 C CB -0.549 27.190 27.740 -0.001 0.000 2.039 22 C HN 0.239 nan 8.230 nan 0.000 0.484 23 K N 2.261 122.659 120.400 -0.003 0.000 2.044 23 K HA -0.212 4.086 4.320 -0.036 0.000 0.210 23 K C 2.065 178.664 176.600 -0.002 0.000 1.049 23 K CA 1.916 58.201 56.287 -0.003 0.000 0.927 23 K CB -0.526 31.971 32.500 -0.005 0.000 0.713 23 K HN 0.523 nan 8.250 nan 0.000 0.443 24 K N -0.455 119.944 120.400 -0.002 0.000 2.002 24 K HA -0.104 4.195 4.320 -0.036 0.000 0.209 24 K C 1.935 178.535 176.600 0.000 0.000 1.048 24 K CA 1.566 57.852 56.287 -0.001 0.000 0.930 24 K CB -0.399 32.100 32.500 -0.002 0.000 0.714 24 K HN 0.190 nan 8.250 nan 0.000 0.438 25 A N 1.224 124.045 122.820 0.001 0.000 2.015 25 A HA -0.036 4.262 4.320 -0.036 0.000 0.219 25 A C 2.050 179.635 177.584 0.002 0.000 1.163 25 A CA 0.896 52.934 52.037 0.002 0.000 0.646 25 A CB -0.385 18.616 19.000 0.003 0.000 0.806 25 A HN 0.377 nan 8.150 nan 0.000 0.448 26 L N -0.948 120.275 121.223 0.001 0.000 2.478 26 L HA -0.066 4.253 4.340 -0.036 0.000 0.223 26 L C 2.417 179.287 176.870 0.001 0.000 1.140 26 L CA 1.040 55.881 54.840 0.001 0.000 0.842 26 L CB -0.231 41.828 42.059 0.001 0.000 0.953 26 L HN 0.358 nan 8.230 nan 0.000 0.452 27 T N -0.441 114.113 114.554 0.001 0.000 2.755 27 T HA -0.117 4.212 4.350 -0.036 0.000 0.251 27 T C 1.400 176.101 174.700 0.001 0.000 1.044 27 T CA 1.088 63.188 62.100 0.001 0.000 1.154 27 T CB -0.003 68.865 68.868 0.000 0.000 0.866 27 T HN 0.488 nan 8.240 nan 0.000 0.416 28 E N 1.129 121.330 120.200 0.001 0.000 2.485 28 E HA 0.296 4.625 4.350 -0.036 0.000 0.194 28 E C 1.037 177.638 176.600 0.002 0.000 1.098 28 E CA 0.228 56.629 56.400 0.001 0.000 0.878 28 E CB 0.029 29.730 29.700 0.002 0.000 0.939 28 E HN 0.392 nan 8.360 nan 0.000 0.503 29 A N 0.880 123.701 122.820 0.002 0.000 2.571 29 A HA 0.136 4.434 4.320 -0.036 0.000 0.274 29 A C 0.219 177.804 177.584 0.002 0.000 1.196 29 A CA -0.385 51.653 52.037 0.002 0.000 0.957 29 A CB 0.039 19.040 19.000 0.002 0.000 1.150 29 A HN 0.197 nan 8.150 nan 0.000 0.539 30 N N -1.203 117.498 118.700 0.001 0.000 5.495 30 N HA -0.197 4.522 4.740 -0.036 0.000 0.335 30 N C 0.988 176.499 175.510 0.001 0.000 0.914 30 N CA 1.411 54.462 53.050 0.001 0.000 1.149 30 N CB -1.013 37.475 38.487 0.001 0.000 0.791 30 N HN 0.521 nan 8.380 nan 0.000 0.517 31 G N -0.063 108.738 108.800 0.001 0.000 3.028 31 G HA2 -0.089 3.850 3.960 -0.036 0.000 0.205 31 G HA3 -0.089 3.850 3.960 -0.036 0.000 0.205 31 G C 0.215 175.116 174.900 0.002 0.000 1.182 31 G CA 0.684 45.784 45.100 0.001 0.000 0.860 31 G HN 0.622 nan 8.290 nan 0.000 0.507 32 D N 0.718 121.119 120.400 0.002 0.000 2.402 32 D HA 0.125 4.744 4.640 -0.036 0.000 0.235 32 D C 1.598 177.900 176.300 0.003 0.000 1.226 32 D CA -0.548 53.453 54.000 0.002 0.000 0.918 32 D CB 0.042 40.843 40.800 0.002 0.000 1.043 32 D HN 0.081 nan 8.370 nan 0.000 0.506 33 I N 2.595 123.166 120.570 0.003 0.000 2.208 33 I HA -0.242 3.906 4.170 -0.036 0.000 0.245 33 I C 1.846 177.965 176.117 0.004 0.000 1.097 33 I CA 0.934 62.236 61.300 0.003 0.000 1.363 33 I CB -0.016 37.986 38.000 0.003 0.000 1.051 33 I HN 0.455 nan 8.210 nan 0.000 0.413 34 E N 0.508 120.710 120.200 0.004 0.000 2.051 34 E HA -0.232 4.096 4.350 -0.036 0.000 0.192 34 E C 2.115 178.717 176.600 0.004 0.000 0.991 34 E CA 1.062 57.464 56.400 0.004 0.000 0.799 34 E CB -0.583 29.119 29.700 0.004 0.000 0.748 34 E HN 0.336 nan 8.360 nan 0.000 0.449 35 L N 0.985 122.210 121.223 0.004 0.000 2.083 35 L HA -0.078 4.241 4.340 -0.036 0.000 0.209 35 L C 2.192 179.065 176.870 0.004 0.000 1.083 35 L CA 1.881 56.723 54.840 0.004 0.000 0.752 35 L CB -0.702 41.359 42.059 0.003 0.000 0.899 35 L HN 0.055 nan 8.230 nan 0.000 0.433 36 A N -0.266 122.557 122.820 0.004 0.000 1.883 36 A HA -0.247 4.052 4.320 -0.036 0.000 0.217 36 A C 2.194 179.781 177.584 0.005 0.000 1.186 36 A CA 2.226 54.265 52.037 0.004 0.000 0.624 36 A CB -0.945 18.057 19.000 0.003 0.000 0.822 36 A HN 0.415 nan 8.150 nan 0.000 0.444 37 I N -0.252 120.321 120.570 0.005 0.000 2.145 37 I HA -0.272 3.876 4.170 -0.036 0.000 0.244 37 I C 2.459 178.580 176.117 0.007 0.000 1.075 37 I CA 2.187 63.491 61.300 0.007 0.000 1.332 37 I CB -0.377 37.627 38.000 0.007 0.000 1.033 37 I HN 0.412 nan 8.210 nan 0.000 0.410 38 E N 0.502 120.706 120.200 0.006 0.000 2.047 38 E HA -0.169 4.160 4.350 -0.036 0.000 0.191 38 E C 1.960 178.564 176.600 0.007 0.000 0.987 38 E CA 1.282 57.685 56.400 0.006 0.000 0.799 38 E CB -0.258 29.445 29.700 0.005 0.000 0.752 38 E HN 0.409 nan 8.360 nan 0.000 0.449 39 N N -0.014 118.689 118.700 0.006 0.000 2.061 39 N HA -0.188 4.531 4.740 -0.036 0.000 0.193 39 N C 1.860 177.374 175.510 0.006 0.000 1.030 39 N CA 1.692 54.745 53.050 0.006 0.000 0.856 39 N CB -0.367 38.123 38.487 0.005 0.000 1.023 39 N HN 0.298 nan 8.380 nan 0.000 0.424 40 M N 0.335 119.939 119.600 0.007 0.000 2.099 40 M HA -0.116 4.342 4.480 -0.036 0.000 0.262 40 M C 2.229 178.534 176.300 0.009 0.000 1.067 40 M CA 1.351 56.656 55.300 0.007 0.000 1.124 40 M CB -0.268 32.336 32.600 0.007 0.000 1.353 40 M HN 0.088 nan 8.290 nan 0.000 0.410 41 R N 1.179 121.684 120.500 0.009 0.000 2.117 41 R HA -0.134 4.185 4.340 -0.036 0.000 0.243 41 R C 1.718 178.024 176.300 0.011 0.000 1.143 41 R CA 1.775 57.881 56.100 0.011 0.000 0.968 41 R CB -0.438 29.869 30.300 0.012 0.000 0.863 41 R HN 0.278 nan 8.270 nan 0.000 0.444 42 K N -0.222 120.184 120.400 0.010 0.000 2.103 42 K HA -0.015 4.283 4.320 -0.036 0.000 0.204 42 K C 2.028 178.634 176.600 0.010 0.000 1.052 42 K CA 1.349 57.642 56.287 0.010 0.000 0.945 42 K CB -0.107 32.397 32.500 0.008 0.000 0.722 42 K HN 0.232 nan 8.250 nan 0.000 0.443 43 S N 0.379 116.084 115.700 0.009 0.000 2.607 43 S HA -0.009 4.440 4.470 -0.036 0.000 0.224 43 S C 1.774 176.380 174.600 0.011 0.000 0.969 43 S CA 0.646 58.851 58.200 0.009 0.000 0.927 43 S CB -0.165 63.040 63.200 0.008 0.000 0.772 43 S HN 0.415 nan 8.310 nan 0.000 0.533 44 G N 1.145 109.952 108.800 0.011 0.000 2.418 44 G HA2 -0.069 3.870 3.960 -0.036 0.000 0.217 44 G HA3 -0.069 3.870 3.960 -0.036 0.000 0.217 44 G C 1.666 176.574 174.900 0.013 0.000 1.158 44 G CA 0.722 45.830 45.100 0.012 0.000 0.771 44 G HN 0.648 nan 8.290 nan 0.000 0.545 45 A N 0.981 123.810 122.820 0.014 0.000 1.917 45 A HA -0.065 4.234 4.320 -0.036 0.000 0.219 45 A C 2.293 179.886 177.584 0.016 0.000 1.182 45 A CA 1.665 53.711 52.037 0.016 0.000 0.633 45 A CB -0.269 18.741 19.000 0.016 0.000 0.819 45 A HN 0.308 nan 8.150 nan 0.000 0.448 46 I N -0.397 120.181 120.570 0.014 0.000 2.406 46 I HA -0.126 4.023 4.170 -0.036 0.000 0.249 46 I C 2.148 178.274 176.117 0.015 0.000 1.122 46 I CA 1.160 62.468 61.300 0.014 0.000 1.431 46 I CB -1.337 36.670 38.000 0.012 0.000 1.087 46 I HN 0.338 nan 8.210 nan 0.000 0.424 47 K N 1.270 121.679 120.400 0.015 0.000 2.063 47 K HA -0.132 4.167 4.320 -0.036 0.000 0.208 47 K C 2.202 178.814 176.600 0.019 0.000 1.048 47 K CA 1.701 57.999 56.287 0.018 0.000 0.928 47 K CB -0.178 32.333 32.500 0.018 0.000 0.713 47 K HN 0.286 nan 8.250 nan 0.000 0.442 48 A N 1.450 124.280 122.820 0.016 0.000 1.930 48 A HA -0.078 4.220 4.320 -0.036 0.000 0.217 48 A C 2.348 179.943 177.584 0.018 0.000 1.175 48 A CA 1.722 53.768 52.037 0.015 0.000 0.627 48 A CB -0.526 18.482 19.000 0.012 0.000 0.815 48 A HN 0.340 nan 8.150 nan 0.000 0.443 49 A N -0.595 122.236 122.820 0.018 0.000 1.969 49 A HA -0.101 4.198 4.320 -0.036 0.000 0.218 49 A C 2.054 179.648 177.584 0.017 0.000 1.169 49 A CA 2.155 54.202 52.037 0.017 0.000 0.635 49 A CB -0.298 18.711 19.000 0.016 0.000 0.810 49 A HN 0.394 nan 8.150 nan 0.000 0.445 50 K N 0.004 120.414 120.400 0.017 0.000 2.116 50 K HA 0.013 4.312 4.320 -0.036 0.000 0.203 50 K C 1.726 178.337 176.600 0.018 0.000 1.052 50 K CA 1.070 57.367 56.287 0.017 0.000 0.952 50 K CB 0.016 32.527 32.500 0.018 0.000 0.729 50 K HN 0.195 nan 8.250 nan 0.000 0.446 51 K N 0.031 120.444 120.400 0.021 0.000 2.365 51 K HA 0.089 4.387 4.320 -0.036 0.000 0.199 51 K C 1.787 178.398 176.600 0.019 0.000 1.045 51 K CA 0.860 57.160 56.287 0.022 0.000 0.962 51 K CB -0.109 32.408 32.500 0.029 0.000 0.759 51 K HN 0.175 nan 8.250 nan 0.000 0.469 52 A N 1.007 123.838 122.820 0.018 0.000 2.131 52 A HA -0.085 4.214 4.320 -0.036 0.000 0.220 52 A C 2.221 179.814 177.584 0.016 0.000 1.158 52 A CA 1.817 53.865 52.037 0.019 0.000 0.665 52 A CB -0.722 18.290 19.000 0.020 0.000 0.795 52 A HN 0.356 nan 8.150 nan 0.000 0.460 53 G N -0.499 108.309 108.800 0.013 0.000 2.712 53 G HA2 -0.015 3.924 3.960 -0.036 0.000 0.212 53 G HA3 -0.015 3.924 3.960 -0.036 0.000 0.212 53 G C 0.478 175.382 174.900 0.008 0.000 1.142 53 G CA -0.217 44.889 45.100 0.010 0.000 0.789 53 G HN 0.671 nan 8.290 nan 0.000 0.535 54 N N 0.672 119.377 118.700 0.008 0.000 2.475 54 N HA 0.273 4.992 4.740 -0.036 0.000 0.267 54 N C -0.272 175.242 175.510 0.006 0.000 1.169 54 N CA -0.652 52.400 53.050 0.004 0.000 0.947 54 N CB 2.027 40.515 38.487 0.002 0.000 1.061 54 N HN -0.150 nan 8.380 nan 0.000 0.466 55 V N 1.967 121.883 119.914 0.003 0.000 2.557 55 V HA 0.105 4.204 4.120 -0.036 0.000 0.301 55 V C 0.515 176.611 176.094 0.003 0.000 1.026 55 V CA 0.258 62.560 62.300 0.004 0.000 1.137 55 V CB 0.220 32.045 31.823 0.003 0.000 0.917 55 V HN 0.776 nan 8.190 nan 0.000 0.484 56 A N 4.523 127.348 122.820 0.007 0.000 2.545 56 A HA 0.744 5.043 4.320 -0.036 0.000 0.300 56 A C 0.554 178.142 177.584 0.007 0.000 1.252 56 A CA 0.148 52.189 52.037 0.007 0.000 0.753 56 A CB 1.223 20.234 19.000 0.018 0.000 1.144 56 A HN 1.144 nan 8.150 nan 0.000 0.457 57 A N 1.462 124.282 122.820 -0.001 0.000 2.431 57 A HA 0.311 4.610 4.320 -0.036 0.000 0.239 57 A C 0.629 178.210 177.584 -0.006 0.000 1.230 57 A CA 0.201 52.237 52.037 -0.002 0.000 0.928 57 A CB 0.082 19.081 19.000 -0.003 0.000 1.006 57 A HN 0.678 nan 8.150 nan 0.000 0.520 58 D N -1.260 119.129 120.400 -0.018 0.000 2.539 58 D HA 0.566 5.185 4.640 -0.036 0.000 0.276 58 D C 0.735 177.022 176.300 -0.022 0.000 1.206 58 D CA 1.114 55.093 54.000 -0.035 0.000 1.081 58 D CB 1.797 42.553 40.800 -0.072 0.000 1.142 58 D HN 0.424 nan 8.370 nan 0.000 0.595 59 G N -1.334 107.438 108.800 -0.047 0.000 2.236 59 G HA2 0.194 4.132 3.960 -0.036 0.000 0.231 59 G HA3 0.194 4.132 3.960 -0.036 0.000 0.231 59 G C -1.067 173.907 174.900 0.123 0.000 1.334 59 G CA -0.073 45.050 45.100 0.040 0.000 1.137 59 G HN 1.014 nan 8.290 nan 0.000 0.482 60 V N -2.306 117.750 119.914 0.236 0.000 2.971 60 V HA 0.851 4.950 4.120 -0.036 0.000 0.309 60 V C -0.477 175.700 176.094 0.137 0.000 1.130 60 V CA -1.325 61.082 62.300 0.180 0.000 0.964 60 V CB 1.918 33.884 31.823 0.239 0.000 1.029 60 V HN 1.097 nan 8.190 nan 0.000 0.427 61 I N 2.711 123.342 120.570 0.101 0.000 2.437 61 I HA 0.666 4.814 4.170 -0.036 0.000 0.298 61 I C 0.065 176.207 176.117 0.042 0.000 0.984 61 I CA -0.444 60.918 61.300 0.103 0.000 1.214 61 I CB 1.599 39.671 38.000 0.121 0.000 1.365 61 I HN 0.745 nan 8.210 nan 0.000 0.469 62 K N 3.880 124.291 120.400 0.017 0.000 2.422 62 K HA 0.631 4.929 4.320 -0.036 0.000 0.251 62 K C -0.508 176.056 176.600 -0.061 0.000 0.933 62 K CA -0.550 55.719 56.287 -0.030 0.000 0.798 62 K CB 2.979 35.449 32.500 -0.050 0.000 1.238 62 K HN 0.795 nan 8.250 nan 0.000 0.428 63 T N -0.995 113.520 114.554 -0.066 0.000 2.900 63 T HA 0.607 4.936 4.350 -0.036 0.000 0.295 63 T C -0.783 173.882 174.700 -0.060 0.000 1.044 63 T CA -0.909 61.143 62.100 -0.080 0.000 0.995 63 T CB 2.448 71.269 68.868 -0.078 0.000 1.072 63 T HN 0.490 nan 8.240 nan 0.000 0.473 64 K N 2.245 122.611 120.400 -0.058 0.000 2.550 64 K HA 0.600 4.899 4.320 -0.036 0.000 0.252 64 K C -1.749 174.836 176.600 -0.024 0.000 0.943 64 K CA -0.791 55.476 56.287 -0.032 0.000 0.806 64 K CB 1.887 34.373 32.500 -0.023 0.000 1.289 64 K HN 0.743 nan 8.250 nan 0.000 0.435 65 I N 2.347 122.912 120.570 -0.009 0.000 2.433 65 I HA 0.238 4.387 4.170 -0.036 0.000 0.292 65 I C -0.990 175.144 176.117 0.028 0.000 1.001 65 I CA -0.644 60.658 61.300 0.004 0.000 1.119 65 I CB 1.972 39.969 38.000 -0.005 0.000 1.289 65 I HN 0.615 nan 8.210 nan 0.000 0.438 66 D N 4.921 125.357 120.400 0.060 0.000 2.408 66 D HA 0.531 5.150 4.640 -0.036 0.000 0.261 66 D C 0.460 176.801 176.300 0.069 0.000 1.190 66 D CA 0.443 54.480 54.000 0.060 0.000 0.910 66 D CB 0.779 41.619 40.800 0.067 0.000 1.097 66 D HN 0.784 nan 8.370 nan 0.000 0.522 67 G N 4.111 112.938 108.800 0.044 0.000 2.559 67 G HA2 -0.395 3.544 3.960 -0.036 0.000 0.282 67 G HA3 -0.395 3.544 3.960 -0.036 0.000 0.282 67 G C 0.767 175.695 174.900 0.047 0.000 1.177 67 G CA 0.389 45.514 45.100 0.041 0.000 0.960 67 G HN 0.546 nan 8.290 nan 0.000 0.540 68 N N -0.448 118.293 118.700 0.068 0.000 2.236 68 N HA 0.342 5.060 4.740 -0.036 0.000 0.196 68 N C -0.047 175.523 175.510 0.099 0.000 1.114 68 N CA 0.120 53.208 53.050 0.063 0.000 0.859 68 N CB 0.551 39.072 38.487 0.056 0.000 0.982 68 N HN 0.449 nan 8.380 nan 0.000 0.493 69 Y N 0.835 121.128 120.300 -0.012 0.000 2.341 69 Y HA 0.639 5.168 4.550 -0.036 0.000 0.337 69 Y C 0.139 176.027 175.900 -0.021 0.000 1.014 69 Y CA -0.874 57.216 58.100 -0.016 0.000 1.111 69 Y CB 1.136 39.588 38.460 -0.015 0.000 1.194 69 Y HN -0.097 nan 8.280 nan 0.000 0.462 70 G N 6.001 114.540 108.800 -0.436 0.000 2.571 70 G HA2 0.630 4.569 3.960 -0.036 0.000 0.304 70 G HA3 0.630 4.569 3.960 -0.036 0.000 0.304 70 G C -1.914 172.738 174.900 -0.413 0.000 1.314 70 G CA -0.688 44.239 45.100 -0.288 0.000 0.975 70 G HN 0.469 nan 8.290 nan 0.000 0.485 71 I N 1.395 121.834 120.570 -0.219 0.000 2.530 71 I HA 0.542 4.691 4.170 -0.036 0.000 0.297 71 I C -0.495 175.507 176.117 -0.191 0.000 1.011 71 I CA -0.991 60.194 61.300 -0.190 0.000 1.107 71 I CB 1.813 39.772 38.000 -0.067 0.000 1.285 71 I HN 0.425 nan 8.210 nan 0.000 0.436 72 I N 6.427 126.841 120.570 -0.261 0.000 2.498 72 I HA 0.542 4.691 4.170 -0.036 0.000 0.290 72 I C -1.784 174.183 176.117 -0.251 0.000 1.032 72 I CA -0.742 60.355 61.300 -0.340 0.000 1.073 72 I CB 2.329 39.955 38.000 -0.623 0.000 1.251 72 I HN 0.467 nan 8.210 nan 0.000 0.426 73 L N 7.233 128.414 121.223 -0.071 0.000 2.422 73 L HA 0.578 4.897 4.340 -0.036 0.000 0.264 73 L C -1.290 175.700 176.870 0.200 0.000 0.984 73 L CA -0.069 54.823 54.840 0.087 0.000 0.819 73 L CB 2.000 44.052 42.059 -0.012 0.000 1.330 73 L HN 0.676 nan 8.230 nan 0.000 0.410 74 E N 3.221 123.567 120.200 0.243 0.000 2.187 74 E HA 0.685 5.014 4.350 -0.036 0.000 0.268 74 E C -1.941 174.725 176.600 0.110 0.000 0.896 74 E CA -0.748 55.757 56.400 0.175 0.000 0.766 74 E CB 1.929 31.704 29.700 0.126 0.000 1.142 74 E HN 0.532 nan 8.360 nan 0.000 0.408 75 V N 4.341 124.334 119.914 0.131 0.000 2.531 75 V HA 0.359 4.458 4.120 -0.036 0.000 0.301 75 V C -0.476 175.799 176.094 0.301 0.000 1.034 75 V CA -0.869 61.534 62.300 0.172 0.000 0.865 75 V CB 1.692 33.564 31.823 0.081 0.000 0.995 75 V HN 0.743 nan 8.190 nan 0.000 0.424 76 N N 2.434 121.284 118.700 0.251 0.000 2.477 76 N HA 0.845 5.564 4.740 -0.036 0.000 0.284 76 N C -0.501 175.132 175.510 0.206 0.000 1.182 76 N CA -0.521 52.645 53.050 0.194 0.000 0.949 76 N CB 1.943 40.489 38.487 0.099 0.000 1.204 76 N HN 0.919 nan 8.380 nan 0.000 0.526 77 C N -1.677 117.649 119.300 0.044 0.000 3.251 77 C HA 0.369 4.808 4.460 -0.036 0.000 0.376 77 C C 0.728 175.687 174.990 -0.051 0.000 1.791 77 C CA -0.519 58.474 59.018 -0.041 0.000 1.163 77 C CB 0.961 28.537 27.740 -0.274 0.000 2.128 77 C HN 0.721 nan 8.230 nan 0.000 0.429 78 Q N 0.562 120.330 119.800 -0.054 0.000 2.324 78 Q HA 0.218 4.537 4.340 -0.036 0.000 0.207 78 Q C 0.646 176.631 176.000 -0.025 0.000 0.928 78 Q CA 1.508 57.294 55.803 -0.027 0.000 0.890 78 Q CB 0.418 29.147 28.738 -0.015 0.000 1.001 78 Q HN 0.945 nan 8.270 nan 0.000 0.517 79 T N -1.691 112.846 114.554 -0.028 0.000 2.907 79 T HA 0.151 4.480 4.350 -0.036 0.000 0.292 79 T C 0.196 174.846 174.700 -0.083 0.000 1.043 79 T CA -0.625 61.479 62.100 0.008 0.000 1.003 79 T CB 1.645 70.628 68.868 0.191 0.000 1.084 79 T HN 0.056 nan 8.240 nan 0.000 0.483 80 D N 0.842 121.153 120.400 -0.149 0.000 2.310 80 D HA -0.073 4.545 4.640 -0.036 0.000 0.212 80 D C 1.250 177.395 176.300 -0.258 0.000 0.965 80 D CA 0.636 54.497 54.000 -0.232 0.000 0.879 80 D CB -0.556 40.097 40.800 -0.244 0.000 0.921 80 D HN 0.504 nan 8.370 nan 0.000 0.510 81 F N 0.924 120.837 119.950 -0.061 0.000 2.095 81 F HA -0.129 4.374 4.527 -0.040 0.000 0.298 81 F C 2.651 178.345 175.800 -0.177 0.000 1.104 81 F CA 0.857 58.798 58.000 -0.098 0.000 1.232 81 F CB -0.704 38.253 39.000 -0.072 0.000 0.987 81 F HN -0.089 nan 8.300 nan 0.000 0.475 82 V N -0.297 119.604 119.914 -0.022 0.000 2.453 82 V HA -0.202 3.897 4.120 -0.036 0.000 0.247 82 V C 2.534 178.373 176.094 -0.426 0.000 1.048 82 V CA 1.396 63.587 62.300 -0.181 0.000 1.049 82 V CB -1.223 30.485 31.823 -0.192 0.000 0.672 82 V HN 0.352 nan 8.190 nan 0.000 0.457 83 A N -0.049 122.462 122.820 -0.515 0.000 1.978 83 A HA -0.265 4.033 4.320 -0.036 0.000 0.220 83 A C 2.235 179.746 177.584 -0.122 0.000 1.170 83 A CA 2.010 53.724 52.037 -0.539 0.000 0.636 83 A CB -0.397 18.417 19.000 -0.310 0.000 0.810 83 A HN 0.559 nan 8.150 nan 0.000 0.448 84 K N -0.317 120.019 120.400 -0.107 0.000 2.365 84 K HA -0.013 4.286 4.320 -0.036 0.000 0.197 84 K C 0.202 176.816 176.600 0.024 0.000 1.042 84 K CA 0.378 56.639 56.287 -0.043 0.000 0.987 84 K CB -0.097 32.338 32.500 -0.107 0.000 0.779 84 K HN 0.627 nan 8.250 nan 0.000 0.484 85 D N -0.169 120.252 120.400 0.035 0.000 2.414 85 D HA 0.023 4.642 4.640 -0.036 0.000 0.242 85 D C 0.942 177.318 176.300 0.127 0.000 1.129 85 D CA 0.078 54.118 54.000 0.066 0.000 0.885 85 D CB 1.132 41.960 40.800 0.047 0.000 1.198 85 D HN 0.114 nan 8.370 nan 0.000 0.437 86 A N 3.017 125.892 122.820 0.092 0.000 1.972 86 A HA -0.018 4.281 4.320 -0.036 0.000 0.219 86 A C 2.039 179.685 177.584 0.103 0.000 1.169 86 A CA 1.662 53.752 52.037 0.089 0.000 0.635 86 A CB -0.940 18.099 19.000 0.066 0.000 0.810 86 A HN 0.696 nan 8.150 nan 0.000 0.446 87 G N -1.382 107.485 108.800 0.111 0.000 2.394 87 G HA2 -0.152 3.787 3.960 -0.036 0.000 0.215 87 G HA3 -0.152 3.787 3.960 -0.036 0.000 0.215 87 G C 1.449 176.443 174.900 0.157 0.000 1.165 87 G CA 1.013 46.180 45.100 0.112 0.000 0.784 87 G HN 0.493 nan 8.290 nan 0.000 0.535 88 F N 1.254 121.230 119.950 0.044 0.000 2.102 88 F HA -0.079 4.427 4.527 -0.036 0.000 0.298 88 F C 2.905 178.772 175.800 0.112 0.000 1.105 88 F CA 1.802 59.843 58.000 0.068 0.000 1.239 88 F CB -0.031 38.988 39.000 0.031 0.000 0.991 88 F HN 0.057 nan 8.300 nan 0.000 0.474 89 Q N 0.567 120.476 119.800 0.182 0.000 2.096 89 Q HA -0.205 4.113 4.340 -0.036 0.000 0.204 89 Q C 2.519 178.500 176.000 -0.032 0.000 0.982 89 Q CA 1.627 57.463 55.803 0.055 0.000 0.850 89 Q CB -1.020 27.779 28.738 0.103 0.000 0.901 89 Q HN 0.571 nan 8.270 nan 0.000 0.422 90 A N 0.340 123.170 122.820 0.018 0.000 1.902 90 A HA -0.184 4.114 4.320 -0.036 0.000 0.217 90 A C 1.940 179.512 177.584 -0.020 0.000 1.181 90 A CA 1.259 53.302 52.037 0.009 0.000 0.623 90 A CB -0.839 18.191 19.000 0.049 0.000 0.818 90 A HN 0.367 nan 8.150 nan 0.000 0.443 91 F N 1.087 120.935 119.950 -0.171 0.000 2.046 91 F HA -0.128 4.377 4.527 -0.036 0.000 0.297 91 F C 2.556 178.149 175.800 -0.346 0.000 1.123 91 F CA 1.539 59.400 58.000 -0.232 0.000 1.199 91 F CB -0.633 38.209 39.000 -0.262 0.000 0.972 91 F HN 0.241 nan 8.300 nan 0.000 0.474 92 A N -0.131 122.447 122.820 -0.405 0.000 1.933 92 A HA -0.201 4.097 4.320 -0.036 0.000 0.218 92 A C 2.019 179.378 177.584 -0.376 0.000 1.175 92 A CA 2.004 53.756 52.037 -0.476 0.000 0.628 92 A CB -1.047 17.709 19.000 -0.408 0.000 0.814 92 A HN 0.506 nan 8.150 nan 0.000 0.444 93 D N -0.642 119.607 120.400 -0.252 0.000 2.144 93 D HA -0.125 4.494 4.640 -0.036 0.000 0.200 93 D C 1.908 178.090 176.300 -0.198 0.000 0.978 93 D CA 1.438 55.334 54.000 -0.174 0.000 0.833 93 D CB -0.175 40.567 40.800 -0.096 0.000 0.961 93 D HN 0.568 nan 8.370 nan 0.000 0.470 94 K N 0.738 120.993 120.400 -0.243 0.000 2.026 94 K HA -0.110 4.189 4.320 -0.036 0.000 0.208 94 K C 2.072 178.451 176.600 -0.369 0.000 1.048 94 K CA 0.808 56.973 56.287 -0.203 0.000 0.929 94 K CB 0.008 32.432 32.500 -0.127 0.000 0.713 94 K HN -0.110 nan 8.250 nan 0.000 0.439 95 V N 2.116 121.521 119.914 -0.848 0.000 2.255 95 V HA -0.289 3.809 4.120 -0.036 0.000 0.247 95 V C 2.314 178.154 176.094 -0.424 0.000 1.051 95 V CA 1.787 63.446 62.300 -1.069 0.000 1.018 95 V CB -0.587 30.515 31.823 -1.201 0.000 0.641 95 V HN 0.464 nan 8.190 nan 0.000 0.445 96 L N 0.285 121.319 121.223 -0.314 0.000 2.013 96 L HA -0.239 4.080 4.340 -0.036 0.000 0.212 96 L C 2.330 179.150 176.870 -0.084 0.000 1.073 96 L CA 2.514 57.258 54.840 -0.160 0.000 0.753 96 L CB -1.062 40.914 42.059 -0.139 0.000 0.890 96 L HN 0.397 nan 8.230 nan 0.000 0.432 97 D N 0.164 120.516 120.400 -0.079 0.000 2.144 97 D HA -0.136 4.482 4.640 -0.036 0.000 0.199 97 D C 2.200 178.511 176.300 0.019 0.000 0.984 97 D CA 1.477 55.465 54.000 -0.021 0.000 0.834 97 D CB 0.053 40.843 40.800 -0.016 0.000 0.955 97 D HN 0.485 nan 8.370 nan 0.000 0.465 98 A N 1.027 123.878 122.820 0.051 0.000 1.930 98 A HA -0.013 4.286 4.320 -0.036 0.000 0.217 98 A C 2.321 179.958 177.584 0.089 0.000 1.175 98 A CA 2.014 54.124 52.037 0.123 0.000 0.627 98 A CB -0.614 18.594 19.000 0.346 0.000 0.815 98 A HN 0.229 nan 8.150 nan 0.000 0.443 99 A N -0.578 122.278 122.820 0.060 0.000 1.902 99 A HA 0.009 4.308 4.320 -0.036 0.000 0.217 99 A C 2.236 179.880 177.584 0.100 0.000 1.181 99 A CA 1.833 53.911 52.037 0.069 0.000 0.623 99 A CB -0.819 18.201 19.000 0.034 0.000 0.818 99 A HN 0.357 nan 8.150 nan 0.000 0.443 100 V N -0.327 119.639 119.914 0.086 0.000 2.283 100 V HA -0.179 3.920 4.120 -0.036 0.000 0.243 100 V C 3.074 179.199 176.094 0.053 0.000 1.039 100 V CA 1.825 64.203 62.300 0.129 0.000 1.016 100 V CB -1.262 30.616 31.823 0.091 0.000 0.650 100 V HN 0.607 nan 8.190 nan 0.000 0.449 101 A N 0.517 123.352 122.820 0.024 0.000 1.865 101 A HA -0.120 4.178 4.320 -0.036 0.000 0.217 101 A C 2.110 179.671 177.584 -0.038 0.000 1.191 101 A CA 2.052 54.084 52.037 -0.009 0.000 0.623 101 A CB -1.093 17.909 19.000 0.002 0.000 0.826 101 A HN 0.601 nan 8.150 nan 0.000 0.444 102 G N -1.408 107.383 108.800 -0.015 0.000 3.448 102 G HA2 0.319 4.258 3.960 -0.036 0.000 0.261 102 G HA3 0.319 4.258 3.960 -0.036 0.000 0.261 102 G C 0.373 175.250 174.900 -0.038 0.000 1.173 102 G CA 0.089 45.172 45.100 -0.028 0.000 0.835 102 G HN 0.479 nan 8.290 nan 0.000 0.534 103 K N 0.103 120.460 120.400 -0.073 0.000 3.264 103 K HA -0.202 4.097 4.320 -0.036 0.000 0.267 103 K C -0.088 176.554 176.600 0.069 0.000 0.886 103 K CA 0.410 56.652 56.287 -0.075 0.000 0.665 103 K CB -1.217 31.078 32.500 -0.342 0.000 1.447 103 K HN 0.442 nan 8.250 nan 0.000 0.464 104 I N 1.253 121.875 120.570 0.088 0.000 2.379 104 I HA -0.011 4.138 4.170 -0.036 0.000 0.290 104 I C 1.662 177.839 176.117 0.101 0.000 1.063 104 I CA 0.093 61.443 61.300 0.083 0.000 1.351 104 I CB 0.898 38.944 38.000 0.076 0.000 1.410 104 I HN 0.213 nan 8.210 nan 0.000 0.505 105 T N -0.742 113.868 114.554 0.093 0.000 3.003 105 T HA 0.073 4.402 4.350 -0.036 0.000 0.261 105 T C 0.351 175.092 174.700 0.068 0.000 1.003 105 T CA -0.367 61.783 62.100 0.083 0.000 0.917 105 T CB -0.039 68.880 68.868 0.086 0.000 1.084 105 T HN 0.426 nan 8.240 nan 0.000 0.522 106 D N 1.819 122.257 120.400 0.062 0.000 2.336 106 D HA 0.182 4.800 4.640 -0.036 0.000 0.249 106 D C 1.281 177.618 176.300 0.061 0.000 1.213 106 D CA -0.370 53.663 54.000 0.055 0.000 0.870 106 D CB 1.459 42.286 40.800 0.046 0.000 1.076 106 D HN -0.051 nan 8.370 nan 0.000 0.483 107 V N 4.634 124.584 119.914 0.061 0.000 2.594 107 V HA -0.168 3.931 4.120 -0.036 0.000 0.253 107 V C 1.670 177.805 176.094 0.068 0.000 1.069 107 V CA 1.707 64.047 62.300 0.066 0.000 1.082 107 V CB -0.168 31.692 31.823 0.061 0.000 0.680 107 V HN 0.501 nan 8.190 nan 0.000 0.469 108 E N -0.204 120.031 120.200 0.059 0.000 2.107 108 E HA -0.096 4.232 4.350 -0.036 0.000 0.191 108 E C 2.248 178.885 176.600 0.062 0.000 0.982 108 E CA 1.338 57.773 56.400 0.057 0.000 0.809 108 E CB -0.455 29.272 29.700 0.044 0.000 0.756 108 E HN 0.554 nan 8.360 nan 0.000 0.459 109 V N 1.494 121.443 119.914 0.058 0.000 2.343 109 V HA -0.225 3.874 4.120 -0.036 0.000 0.247 109 V C 2.415 178.560 176.094 0.085 0.000 1.051 109 V CA 1.158 63.491 62.300 0.056 0.000 1.036 109 V CB -0.478 31.372 31.823 0.045 0.000 0.654 109 V HN 0.150 nan 8.190 nan 0.000 0.451 110 L N 0.058 121.348 121.223 0.112 0.000 1.976 110 L HA -0.158 4.161 4.340 -0.036 0.000 0.209 110 L C 2.423 179.440 176.870 0.244 0.000 1.071 110 L CA 1.971 56.922 54.840 0.184 0.000 0.746 110 L CB -0.872 41.262 42.059 0.126 0.000 0.890 110 L HN 0.234 nan 8.230 nan 0.000 0.432 111 K N -0.858 119.642 120.400 0.167 0.000 2.015 111 K HA -0.246 4.053 4.320 -0.036 0.000 0.216 111 K C 2.019 178.722 176.600 0.172 0.000 1.052 111 K CA 1.913 58.304 56.287 0.174 0.000 0.937 111 K CB -0.604 31.967 32.500 0.118 0.000 0.719 111 K HN 0.445 nan 8.250 nan 0.000 0.446 112 A N 1.149 124.035 122.820 0.110 0.000 1.978 112 A HA -0.263 4.035 4.320 -0.036 0.000 0.220 112 A C 2.077 179.685 177.584 0.041 0.000 1.170 112 A CA 1.742 53.821 52.037 0.069 0.000 0.636 112 A CB -0.523 18.502 19.000 0.042 0.000 0.810 112 A HN 0.471 nan 8.150 nan 0.000 0.448 113 Q N -2.275 117.540 119.800 0.026 0.000 2.311 113 Q HA -0.012 4.307 4.340 -0.036 0.000 0.203 113 Q C 0.536 176.344 176.000 -0.319 0.000 0.954 113 Q CA 0.968 56.681 55.803 -0.151 0.000 0.885 113 Q CB -0.006 28.605 28.738 -0.211 0.000 0.963 113 Q HN 0.654 nan 8.270 nan 0.000 0.471 114 F N -0.580 119.401 119.950 0.051 0.000 2.706 114 F HA 0.192 4.698 4.527 -0.035 0.000 0.313 114 F C 1.534 177.435 175.800 0.168 0.000 1.096 114 F CA -0.156 57.906 58.000 0.104 0.000 1.219 114 F CB 0.601 39.641 39.000 0.068 0.000 1.051 114 F HN 0.079 nan 8.300 nan 0.000 0.568 115 E N 1.366 121.703 120.200 0.228 0.000 2.160 115 E HA -0.248 4.081 4.350 -0.036 0.000 0.195 115 E C 1.998 178.677 176.600 0.132 0.000 0.991 115 E CA 1.752 58.254 56.400 0.170 0.000 0.810 115 E CB -0.048 29.715 29.700 0.105 0.000 0.742 115 E HN 0.520 nan 8.360 nan 0.000 0.466 116 E N -0.143 120.123 120.200 0.110 0.000 2.047 116 E HA -0.192 4.136 4.350 -0.036 0.000 0.191 116 E C 1.857 178.520 176.600 0.105 0.000 0.987 116 E CA 1.240 57.688 56.400 0.080 0.000 0.799 116 E CB -0.009 29.719 29.700 0.048 0.000 0.752 116 E HN 0.410 nan 8.360 nan 0.000 0.449 117 E N 0.308 120.619 120.200 0.185 0.000 2.072 117 E HA -0.205 4.124 4.350 -0.036 0.000 0.191 117 E C 2.249 178.917 176.600 0.113 0.000 0.985 117 E CA 0.580 57.116 56.400 0.227 0.000 0.801 117 E CB -0.159 29.806 29.700 0.440 0.000 0.750 117 E HN 0.138 nan 8.360 nan 0.000 0.452 118 R N 1.135 121.712 120.500 0.128 0.000 2.080 118 R HA -0.169 4.149 4.340 -0.036 0.000 0.236 118 R C 2.319 178.555 176.300 -0.106 0.000 1.137 118 R CA 1.546 57.547 56.100 -0.164 0.000 0.943 118 R CB -0.366 29.949 30.300 0.025 0.000 0.846 118 R HN 0.046 nan 8.270 nan 0.000 0.431 119 V N 1.043 120.952 119.914 -0.007 0.000 2.392 119 V HA -0.246 3.853 4.120 -0.036 0.000 0.249 119 V C 2.444 178.532 176.094 -0.011 0.000 1.059 119 V CA 1.991 64.290 62.300 -0.002 0.000 1.051 119 V CB -0.661 31.175 31.823 0.022 0.000 0.658 119 V HN 0.582 nan 8.190 nan 0.000 0.455 120 A N -0.830 121.989 122.820 -0.002 0.000 2.014 120 A HA -0.083 4.215 4.320 -0.036 0.000 0.218 120 A C 2.074 179.645 177.584 -0.021 0.000 1.163 120 A CA 1.523 53.561 52.037 0.002 0.000 0.652 120 A CB -0.342 18.673 19.000 0.026 0.000 0.808 120 A HN 0.455 nan 8.150 nan 0.000 0.449 121 L N -0.478 120.702 121.223 -0.071 0.000 2.095 121 L HA 0.007 4.326 4.340 -0.036 0.000 0.204 121 L C 2.269 179.093 176.870 -0.077 0.000 1.080 121 L CA 1.486 56.263 54.840 -0.105 0.000 0.759 121 L CB -0.296 41.596 42.059 -0.279 0.000 0.914 121 L HN 0.114 nan 8.230 nan 0.000 0.439 122 V N 0.126 119.992 119.914 -0.079 0.000 2.515 122 V HA -0.244 3.855 4.120 -0.036 0.000 0.250 122 V C 2.763 178.851 176.094 -0.011 0.000 1.058 122 V CA 1.356 63.635 62.300 -0.035 0.000 1.064 122 V CB -1.256 30.551 31.823 -0.026 0.000 0.675 122 V HN 0.574 nan 8.190 nan 0.000 0.461 123 A N 1.431 124.244 122.820 -0.013 0.000 1.865 123 A HA -0.258 4.041 4.320 -0.036 0.000 0.217 123 A C 2.248 179.829 177.584 -0.005 0.000 1.191 123 A CA 2.307 54.343 52.037 -0.001 0.000 0.623 123 A CB -0.367 18.634 19.000 0.001 0.000 0.826 123 A HN 0.719 nan 8.150 nan 0.000 0.444 124 K N -1.242 119.150 120.400 -0.013 0.000 2.361 124 K HA 0.332 4.630 4.320 -0.036 0.000 0.194 124 K C 1.434 178.008 176.600 -0.043 0.000 1.032 124 K CA 0.660 56.934 56.287 -0.020 0.000 1.048 124 K CB -0.012 32.481 32.500 -0.011 0.000 0.842 124 K HN 0.442 nan 8.250 nan 0.000 0.526 125 I N 1.108 121.655 120.570 -0.038 0.000 2.867 125 I HA 0.075 4.224 4.170 -0.036 0.000 0.265 125 I C 1.033 177.108 176.117 -0.070 0.000 1.162 125 I CA 0.807 62.074 61.300 -0.056 0.000 1.471 125 I CB 0.135 38.129 38.000 -0.010 0.000 1.123 125 I HN 0.538 nan 8.210 nan 0.000 0.440 126 G N 1.834 110.634 108.800 -0.001 0.000 2.148 126 G HA2 -0.240 3.699 3.960 -0.036 0.000 0.254 126 G HA3 -0.240 3.699 3.960 -0.036 0.000 0.254 126 G C 0.018 175.040 174.900 0.203 0.000 0.981 126 G CA -0.029 45.123 45.100 0.088 0.000 0.670 126 G HN 0.448 nan 8.290 nan 0.000 0.528 127 E N -0.477 119.800 120.200 0.127 0.000 2.244 127 E HA 0.365 4.694 4.350 -0.036 0.000 0.266 127 E C -0.392 176.235 176.600 0.046 0.000 0.914 127 E CA -1.121 55.334 56.400 0.091 0.000 0.794 127 E CB 0.935 30.678 29.700 0.072 0.000 1.210 127 E HN 0.090 nan 8.360 nan 0.000 0.414 128 N N 2.513 121.232 118.700 0.032 0.000 2.406 128 N HA 0.075 4.794 4.740 -0.036 0.000 0.265 128 N C -1.196 174.337 175.510 0.038 0.000 1.203 128 N CA 0.367 53.434 53.050 0.028 0.000 0.945 128 N CB -0.045 38.456 38.487 0.023 0.000 1.165 128 N HN 0.378 nan 8.380 nan 0.000 0.485 129 I N 2.841 123.432 120.570 0.036 0.000 2.412 129 I HA 0.356 4.504 4.170 -0.036 0.000 0.296 129 I C -0.228 175.927 176.117 0.062 0.000 0.987 129 I CA -0.777 60.566 61.300 0.072 0.000 1.180 129 I CB 1.322 39.342 38.000 0.034 0.000 1.340 129 I HN 0.406 nan 8.210 nan 0.000 0.455 130 N N 5.942 124.713 118.700 0.119 0.000 2.308 130 N HA 0.471 5.190 4.740 -0.036 0.000 0.283 130 N C -0.917 174.687 175.510 0.157 0.000 1.105 130 N CA -0.518 52.603 53.050 0.120 0.000 0.840 130 N CB 2.720 41.257 38.487 0.084 0.000 1.633 130 N HN 0.405 nan 8.380 nan 0.000 0.476 131 I N 1.792 122.462 120.570 0.168 0.000 2.471 131 I HA 0.135 4.283 4.170 -0.036 0.000 0.286 131 I C 1.861 178.030 176.117 0.086 0.000 1.079 131 I CA 0.062 61.435 61.300 0.122 0.000 1.398 131 I CB 1.185 39.242 38.000 0.094 0.000 1.403 131 I HN 0.440 nan 8.210 nan 0.000 0.530 132 R N 6.603 127.144 120.500 0.068 0.000 2.038 132 R HA 0.225 4.544 4.340 -0.036 0.000 0.214 132 R C 0.186 176.502 176.300 0.025 0.000 1.249 132 R CA 0.397 56.520 56.100 0.037 0.000 1.025 132 R CB 0.526 30.833 30.300 0.012 0.000 0.911 132 R HN 0.718 nan 8.270 nan 0.000 0.456 133 R N -0.302 120.219 120.500 0.035 0.000 2.774 133 R HA 0.589 4.907 4.340 -0.036 0.000 0.272 133 R C -1.559 174.856 176.300 0.191 0.000 1.000 133 R CA -0.863 55.275 56.100 0.064 0.000 0.906 133 R CB 2.059 32.325 30.300 -0.058 0.000 1.227 133 R HN 0.023 nan 8.270 nan 0.000 0.468 134 V N 0.134 120.169 119.914 0.201 0.000 2.932 134 V HA 0.883 4.982 4.120 -0.036 0.000 0.307 134 V C -1.507 174.681 176.094 0.158 0.000 1.147 134 V CA -0.238 62.172 62.300 0.184 0.000 0.951 134 V CB 1.929 33.805 31.823 0.088 0.000 1.031 134 V HN 1.181 nan 8.190 nan 0.000 0.426 135 A N 4.499 127.354 122.820 0.058 0.000 2.594 135 A HA 1.077 5.376 4.320 -0.036 0.000 0.291 135 A C -0.732 176.771 177.584 -0.136 0.000 1.105 135 A CA -0.187 51.843 52.037 -0.011 0.000 0.694 135 A CB 1.945 20.961 19.000 0.027 0.000 1.291 135 A HN 2.276 nan 8.150 nan 0.000 0.410 136 A N -0.197 122.533 122.820 -0.150 0.000 2.454 136 A HA 0.857 5.156 4.320 -0.036 0.000 0.302 136 A C -1.613 175.804 177.584 -0.279 0.000 1.079 136 A CA -0.462 51.395 52.037 -0.300 0.000 0.731 136 A CB 1.559 20.362 19.000 -0.327 0.000 1.299 136 A HN 1.927 nan 8.150 nan 0.000 0.413 137 L N 0.495 121.498 121.223 -0.365 0.000 2.455 137 L HA 0.671 4.990 4.340 -0.036 0.000 0.264 137 L C -0.764 175.968 176.870 -0.231 0.000 0.968 137 L CA 0.044 54.746 54.840 -0.230 0.000 0.827 137 L CB 2.109 44.068 42.059 -0.166 0.000 1.317 137 L HN 0.862 nan 8.230 nan 0.000 0.407 138 E N 2.393 122.526 120.200 -0.112 0.000 2.336 138 E HA 0.885 5.214 4.350 -0.036 0.000 0.267 138 E C -0.840 175.750 176.600 -0.017 0.000 0.906 138 E CA -0.992 55.384 56.400 -0.040 0.000 0.781 138 E CB 2.407 32.129 29.700 0.037 0.000 1.261 138 E HN 0.861 nan 8.360 nan 0.000 0.436 139 G N 0.741 109.541 108.800 0.001 0.000 2.356 139 G HA2 0.062 4.000 3.960 -0.036 0.000 0.294 139 G HA3 0.062 4.000 3.960 -0.036 0.000 0.294 139 G C -0.497 174.408 174.900 0.008 0.000 1.423 139 G CA -0.632 44.470 45.100 0.003 0.000 0.806 139 G HN 0.415 nan 8.290 nan 0.000 0.527 140 D N -1.199 119.205 120.400 0.006 0.000 2.116 140 D HA -0.049 4.570 4.640 -0.036 0.000 0.193 140 D C 1.263 177.565 176.300 0.002 0.000 0.998 140 D CA 1.901 55.904 54.000 0.005 0.000 0.836 140 D CB 0.060 40.861 40.800 0.002 0.000 0.951 140 D HN 0.312 nan 8.370 nan 0.000 0.449 141 V N 1.005 120.917 119.914 -0.003 0.000 2.531 141 V HA 0.350 4.449 4.120 -0.036 0.000 0.301 141 V C -0.184 175.905 176.094 -0.008 0.000 1.034 141 V CA -0.725 61.571 62.300 -0.007 0.000 0.865 141 V CB 2.422 34.236 31.823 -0.015 0.000 0.995 141 V HN -0.039 nan 8.190 nan 0.000 0.424 142 L N 3.662 124.881 121.223 -0.006 0.000 2.317 142 L HA 0.919 5.237 4.340 -0.036 0.000 0.281 142 L C 0.570 177.436 176.870 -0.006 0.000 1.024 142 L CA -0.164 54.670 54.840 -0.009 0.000 0.810 142 L CB 2.009 44.058 42.059 -0.016 0.000 1.240 142 L HN 0.844 nan 8.230 nan 0.000 0.427 143 G N 0.844 109.644 108.800 -0.001 0.000 2.574 143 G HA2 0.680 4.618 3.960 -0.036 0.000 0.299 143 G HA3 0.680 4.618 3.960 -0.036 0.000 0.299 143 G C -1.334 173.584 174.900 0.030 0.000 1.298 143 G CA -0.351 44.757 45.100 0.013 0.000 0.952 143 G HN 0.571 nan 8.290 nan 0.000 0.477 144 S N -0.832 114.901 115.700 0.055 0.000 2.564 144 S HA 0.768 5.217 4.470 -0.036 0.000 0.274 144 S C -1.732 172.971 174.600 0.172 0.000 1.124 144 S CA -0.860 57.386 58.200 0.076 0.000 0.869 144 S CB 2.208 65.422 63.200 0.024 0.000 1.105 144 S HN 1.206 nan 8.310 nan 0.000 0.472 145 Y N 0.994 121.309 120.300 0.025 0.000 2.433 145 Y HA 0.499 5.028 4.550 -0.036 0.000 0.337 145 Y C -1.384 174.544 175.900 0.048 0.000 1.026 145 Y CA -0.525 57.603 58.100 0.047 0.000 1.037 145 Y CB 1.871 40.372 38.460 0.069 0.000 1.245 145 Y HN 0.755 nan 8.280 nan 0.000 0.443 146 Q N 4.673 124.113 119.800 -0.600 0.000 2.325 146 Q HA 0.159 4.478 4.340 -0.036 0.000 0.262 146 Q C -1.301 174.174 176.000 -0.876 0.000 0.968 146 Q CA -0.615 54.874 55.803 -0.522 0.000 0.877 146 Q CB 1.430 30.006 28.738 -0.269 0.000 1.253 146 Q HN 0.802 nan 8.270 nan 0.000 0.448 147 H N 1.662 120.364 119.070 -0.612 0.000 2.702 147 H HA 0.383 4.919 4.556 -0.034 0.000 0.252 147 H C 0.734 175.960 175.328 -0.170 0.000 1.493 147 H CA 1.143 56.986 56.048 -0.341 0.000 1.273 147 H CB -0.149 29.597 29.762 -0.026 0.000 1.537 147 H HN 0.965 nan 8.280 nan 0.000 0.547 148 G N 2.139 110.759 108.800 -0.300 0.000 2.575 148 G HA2 -0.325 3.613 3.960 -0.036 0.000 0.267 148 G HA3 -0.325 3.613 3.960 -0.036 0.000 0.267 148 G C 1.002 175.839 174.900 -0.104 0.000 1.264 148 G CA 0.209 45.197 45.100 -0.188 0.000 0.935 148 G HN 0.884 nan 8.290 nan 0.000 0.568 149 A N -1.087 121.697 122.820 -0.060 0.000 2.178 149 A HA 0.298 4.597 4.320 -0.036 0.000 0.211 149 A C 2.336 179.928 177.584 0.013 0.000 1.157 149 A CA 1.661 53.688 52.037 -0.017 0.000 0.780 149 A CB -0.108 18.888 19.000 -0.006 0.000 0.828 149 A HN 0.496 nan 8.150 nan 0.000 0.476 150 R N -0.514 119.995 120.500 0.015 0.000 2.140 150 R HA 0.295 4.614 4.340 -0.036 0.000 0.213 150 R C -0.148 176.191 176.300 0.066 0.000 1.059 150 R CA 0.661 56.785 56.100 0.041 0.000 1.000 150 R CB 0.007 30.333 30.300 0.044 0.000 0.910 150 R HN 0.441 nan 8.270 nan 0.000 0.455 151 I N 0.155 120.768 120.570 0.072 0.000 2.499 151 I HA 0.365 4.513 4.170 -0.036 0.000 0.288 151 I C -0.177 175.978 176.117 0.064 0.000 1.048 151 I CA -0.858 60.497 61.300 0.091 0.000 1.062 151 I CB 2.276 40.340 38.000 0.107 0.000 1.238 151 I HN -0.067 nan 8.210 nan 0.000 0.426 152 G N 5.033 113.885 108.800 0.085 0.000 2.495 152 G HA2 0.711 4.650 3.960 -0.036 0.000 0.318 152 G HA3 0.711 4.650 3.960 -0.036 0.000 0.318 152 G C -1.366 173.564 174.900 0.051 0.000 1.257 152 G CA -0.475 44.647 45.100 0.036 0.000 0.962 152 G HN 0.318 nan 8.290 nan 0.000 0.483 153 V N 2.428 122.372 119.914 0.050 0.000 2.686 153 V HA 0.497 4.596 4.120 -0.036 0.000 0.306 153 V C -0.352 175.762 176.094 0.034 0.000 1.065 153 V CA -0.639 61.704 62.300 0.072 0.000 0.894 153 V CB 1.812 33.722 31.823 0.145 0.000 1.004 153 V HN 0.646 nan 8.190 nan 0.000 0.424 154 L N 4.646 125.872 121.223 0.006 0.000 2.329 154 L HA 0.777 5.096 4.340 -0.036 0.000 0.279 154 L C -0.917 175.990 176.870 0.061 0.000 1.014 154 L CA -0.831 54.005 54.840 -0.006 0.000 0.814 154 L CB 2.097 44.102 42.059 -0.089 0.000 1.257 154 L HN 0.355 nan 8.230 nan 0.000 0.424 155 V N 2.002 121.947 119.914 0.051 0.000 2.638 155 V HA 0.686 4.785 4.120 -0.036 0.000 0.306 155 V C -0.229 175.885 176.094 0.034 0.000 1.052 155 V CA -0.569 61.776 62.300 0.076 0.000 0.885 155 V CB 1.862 33.722 31.823 0.062 0.000 0.999 155 V HN 0.842 nan 8.190 nan 0.000 0.424 156 A N 3.588 126.432 122.820 0.041 0.000 2.318 156 A HA 1.017 5.315 4.320 -0.036 0.000 0.324 156 A C -0.077 177.518 177.584 0.019 0.000 1.170 156 A CA 0.125 52.171 52.037 0.014 0.000 0.810 156 A CB 1.500 20.500 19.000 -0.001 0.000 1.198 156 A HN 1.483 nan 8.150 nan 0.000 0.484 157 A N 2.141 124.962 122.820 0.002 0.000 2.525 157 A HA 0.941 5.240 4.320 -0.036 0.000 0.291 157 A C -0.699 176.880 177.584 -0.008 0.000 1.268 157 A CA -0.662 51.371 52.037 -0.005 0.000 0.712 157 A CB 1.356 20.341 19.000 -0.025 0.000 1.320 157 A HN 0.720 nan 8.150 nan 0.000 0.456 158 K N -1.093 119.300 120.400 -0.012 0.000 2.535 158 K HA 0.486 4.785 4.320 -0.036 0.000 0.251 158 K C 0.168 176.762 176.600 -0.010 0.000 0.942 158 K CA 0.200 56.482 56.287 -0.008 0.000 0.798 158 K CB 1.717 34.215 32.500 -0.003 0.000 1.267 158 K HN 2.118 nan 8.250 nan 0.000 0.434 159 G N 1.303 110.099 108.800 -0.007 0.000 2.198 159 G HA2 -0.237 3.701 3.960 -0.036 0.000 0.260 159 G HA3 -0.237 3.701 3.960 -0.036 0.000 0.260 159 G C -0.340 174.559 174.900 -0.002 0.000 1.025 159 G CA 0.542 45.641 45.100 -0.002 0.000 0.769 159 G HN 0.719 nan 8.290 nan 0.000 0.507 160 A N -0.069 122.740 122.820 -0.018 0.000 2.386 160 A HA 0.725 5.024 4.320 -0.036 0.000 0.311 160 A C 0.019 177.579 177.584 -0.040 0.000 1.068 160 A CA 0.093 52.107 52.037 -0.039 0.000 0.743 160 A CB 1.327 20.281 19.000 -0.075 0.000 1.258 160 A HN 0.666 nan 8.150 nan 0.000 0.429 161 D N 1.187 121.560 120.400 -0.046 0.000 2.383 161 D HA 0.226 4.845 4.640 -0.036 0.000 0.248 161 D C 0.557 176.812 176.300 -0.075 0.000 1.170 161 D CA -0.352 53.621 54.000 -0.046 0.000 0.977 161 D CB 0.561 41.342 40.800 -0.031 0.000 1.120 161 D HN 0.390 nan 8.370 nan 0.000 0.481 162 E N -0.435 119.728 120.200 -0.061 0.000 2.097 162 E HA -0.242 4.086 4.350 -0.036 0.000 0.196 162 E C 1.786 178.319 176.600 -0.111 0.000 1.000 162 E CA 2.187 58.548 56.400 -0.064 0.000 0.804 162 E CB -0.206 29.471 29.700 -0.039 0.000 0.740 162 E HN 0.800 nan 8.360 nan 0.000 0.454 163 E N 0.121 120.224 120.200 -0.162 0.000 2.158 163 E HA -0.106 4.223 4.350 -0.036 0.000 0.191 163 E C 2.105 178.391 176.600 -0.523 0.000 0.982 163 E CA 0.546 56.757 56.400 -0.315 0.000 0.823 163 E CB -0.399 29.128 29.700 -0.288 0.000 0.766 163 E HN 0.262 nan 8.360 nan 0.000 0.468 164 L N 0.911 121.929 121.223 -0.342 0.000 2.017 164 L HA -0.165 4.154 4.340 -0.036 0.000 0.208 164 L C 2.358 179.092 176.870 -0.226 0.000 1.073 164 L CA 1.182 55.826 54.840 -0.327 0.000 0.745 164 L CB -0.129 41.749 42.059 -0.300 0.000 0.894 164 L HN 0.156 nan 8.230 nan 0.000 0.432 165 V N -0.117 119.701 119.914 -0.160 0.000 2.343 165 V HA -0.320 3.778 4.120 -0.036 0.000 0.247 165 V C 2.582 178.651 176.094 -0.042 0.000 1.051 165 V CA 1.863 64.111 62.300 -0.086 0.000 1.036 165 V CB -0.720 31.069 31.823 -0.056 0.000 0.654 165 V HN 0.444 nan 8.190 nan 0.000 0.451 166 K N -0.356 120.008 120.400 -0.060 0.000 2.032 166 K HA -0.217 4.082 4.320 -0.036 0.000 0.209 166 K C 2.150 178.807 176.600 0.096 0.000 1.048 166 K CA 2.110 58.409 56.287 0.021 0.000 0.927 166 K CB -0.333 32.174 32.500 0.011 0.000 0.712 166 K HN 0.668 nan 8.250 nan 0.000 0.441 167 H N 0.065 119.126 119.070 -0.014 0.000 2.353 167 H HA -0.101 4.433 4.556 -0.036 0.000 0.300 167 H C 2.159 177.548 175.328 0.101 0.000 1.090 167 H CA 0.994 57.062 56.048 0.033 0.000 1.327 167 H CB 0.127 29.962 29.762 0.121 0.000 1.383 167 H HN 0.148 nan 8.280 nan 0.000 0.508 168 I N 1.027 121.680 120.570 0.139 0.000 2.226 168 I HA -0.210 3.938 4.170 -0.036 0.000 0.245 168 I C 2.813 178.975 176.117 0.074 0.000 1.100 168 I CA 1.042 62.377 61.300 0.059 0.000 1.374 168 I CB -1.316 36.644 38.000 -0.067 0.000 1.057 168 I HN 0.256 nan 8.210 nan 0.000 0.413 169 A N 0.878 123.731 122.820 0.055 0.000 1.908 169 A HA -0.218 4.081 4.320 -0.036 0.000 0.218 169 A C 2.405 180.008 177.584 0.033 0.000 1.181 169 A CA 1.752 53.829 52.037 0.068 0.000 0.627 169 A CB -0.593 18.479 19.000 0.119 0.000 0.818 169 A HN 0.363 nan 8.150 nan 0.000 0.445 170 M N -1.891 117.646 119.600 -0.105 0.000 2.117 170 M HA -0.165 4.294 4.480 -0.036 0.000 0.262 170 M C 2.189 178.411 176.300 -0.130 0.000 1.065 170 M CA 2.049 57.120 55.300 -0.380 0.000 1.114 170 M CB -0.570 31.737 32.600 -0.487 0.000 1.361 170 M HN 0.743 nan 8.290 nan 0.000 0.408 171 H N 0.171 119.202 119.070 -0.065 0.000 2.293 171 H HA -0.120 4.414 4.556 -0.035 0.000 0.300 171 H C 1.848 177.131 175.328 -0.076 0.000 1.082 171 H CA 2.047 58.080 56.048 -0.024 0.000 1.308 171 H CB -0.057 29.775 29.762 0.116 0.000 1.375 171 H HN 0.056 nan 8.280 nan 0.000 0.495 172 V N 0.898 120.813 119.914 0.001 0.000 2.392 172 V HA -0.306 3.792 4.120 -0.036 0.000 0.249 172 V C 2.712 178.735 176.094 -0.117 0.000 1.059 172 V CA 1.727 63.948 62.300 -0.132 0.000 1.051 172 V CB -1.246 30.456 31.823 -0.202 0.000 0.658 172 V HN 0.731 nan 8.190 nan 0.000 0.455 173 A N -0.431 122.358 122.820 -0.052 0.000 1.933 173 A HA -0.051 4.248 4.320 -0.036 0.000 0.218 173 A C 2.330 179.840 177.584 -0.123 0.000 1.175 173 A CA 2.077 54.106 52.037 -0.013 0.000 0.628 173 A CB -0.510 18.573 19.000 0.139 0.000 0.814 173 A HN 0.580 nan 8.150 nan 0.000 0.444 174 A N -1.581 121.111 122.820 -0.214 0.000 1.943 174 A HA 0.182 4.481 4.320 -0.036 0.000 0.213 174 A C 2.149 179.585 177.584 -0.248 0.000 1.181 174 A CA 1.541 53.423 52.037 -0.258 0.000 0.653 174 A CB -0.202 18.621 19.000 -0.295 0.000 0.833 174 A HN 0.386 nan 8.150 nan 0.000 0.451 175 S N -0.562 114.930 115.700 -0.345 0.000 2.524 175 S HA 0.143 4.591 4.470 -0.036 0.000 0.215 175 S C 0.037 174.537 174.600 -0.166 0.000 0.986 175 S CA -0.034 57.988 58.200 -0.298 0.000 0.911 175 S CB -0.012 62.877 63.200 -0.518 0.000 0.805 175 S HN 0.576 nan 8.310 nan 0.000 0.501 176 K N 1.202 121.518 120.400 -0.140 0.000 3.278 176 K HA -0.137 4.161 4.320 -0.036 0.000 0.270 176 K C -2.825 173.763 176.600 -0.020 0.000 0.955 176 K CA 0.268 56.523 56.287 -0.053 0.000 0.723 176 K CB -1.786 30.700 32.500 -0.024 0.000 1.382 176 K HN 0.359 nan 8.250 nan 0.000 0.461 177 P HA -0.049 nan 4.420 nan 0.000 0.269 177 P C 0.194 177.600 177.300 0.177 0.000 1.209 177 P CA 0.312 63.436 63.100 0.039 0.000 0.776 177 P CB 0.751 32.422 31.700 -0.048 0.000 0.876 178 E N 0.620 120.880 120.200 0.099 0.000 2.140 178 E HA 0.047 4.375 4.350 -0.036 0.000 0.191 178 E C 0.092 176.470 176.600 -0.370 0.000 0.973 178 E CA 0.796 57.081 56.400 -0.191 0.000 0.829 178 E CB 0.037 29.459 29.700 -0.462 0.000 0.781 178 E HN 0.453 nan 8.360 nan 0.000 0.466 179 F N -1.059 119.031 119.950 0.234 0.000 2.618 179 F HA 0.343 4.849 4.527 -0.035 0.000 0.332 179 F C 1.101 177.097 175.800 0.328 0.000 1.061 179 F CA -0.883 57.225 58.000 0.180 0.000 0.974 179 F CB 0.878 39.922 39.000 0.073 0.000 1.310 179 F HN -0.249 nan 8.300 nan 0.000 0.491 180 I N 0.044 120.886 120.570 0.454 0.000 2.206 180 I HA -0.034 4.115 4.170 -0.036 0.000 0.239 180 I C 0.284 176.530 176.117 0.216 0.000 1.078 180 I CA 1.203 62.724 61.300 0.369 0.000 1.367 180 I CB -0.096 38.053 38.000 0.247 0.000 1.078 180 I HN 0.393 nan 8.210 nan 0.000 0.413 181 K N -0.168 120.332 120.400 0.165 0.000 2.385 181 K HA 0.305 4.603 4.320 -0.036 0.000 0.248 181 K C -2.040 174.576 176.600 0.028 0.000 0.955 181 K CA -1.710 54.624 56.287 0.078 0.000 0.816 181 K CB 1.924 34.450 32.500 0.044 0.000 1.250 181 K HN -0.336 nan 8.250 nan 0.000 0.434 182 P HA -0.231 nan 4.420 nan 0.000 0.216 182 P C 0.266 177.497 177.300 -0.114 0.000 1.157 182 P CA 1.537 64.596 63.100 -0.067 0.000 0.880 182 P CB 0.256 31.935 31.700 -0.035 0.000 0.791 183 E N -0.574 119.584 120.200 -0.069 0.000 2.160 183 E HA -0.181 4.147 4.350 -0.036 0.000 0.195 183 E C 1.550 178.089 176.600 -0.101 0.000 0.991 183 E CA 1.232 57.589 56.400 -0.072 0.000 0.810 183 E CB -0.906 28.772 29.700 -0.037 0.000 0.742 183 E HN 0.329 nan 8.360 nan 0.000 0.466 184 D N 0.357 120.700 120.400 -0.094 0.000 2.264 184 D HA -0.060 4.559 4.640 -0.036 0.000 0.208 184 D C 0.088 176.228 176.300 -0.268 0.000 0.966 184 D CA 0.351 54.308 54.000 -0.072 0.000 0.864 184 D CB -0.110 40.733 40.800 0.071 0.000 0.933 184 D HN 0.009 nan 8.370 nan 0.000 0.499 185 V N 2.442 121.986 119.914 -0.617 0.000 2.539 185 V HA -0.103 3.996 4.120 -0.036 0.000 0.300 185 V C 0.666 176.507 176.094 -0.421 0.000 1.019 185 V CA -0.149 61.497 62.300 -1.091 0.000 1.160 185 V CB 0.089 31.427 31.823 -0.807 0.000 0.901 185 V HN 0.210 nan 8.190 nan 0.000 0.481 186 S N 4.462 120.033 115.700 -0.216 0.000 3.159 186 S HA -0.005 4.444 4.470 -0.036 0.000 0.375 186 S C 1.431 176.010 174.600 -0.034 0.000 1.068 186 S CA 0.047 58.239 58.200 -0.014 0.000 1.678 186 S CB 0.145 63.407 63.200 0.104 0.000 1.160 186 S HN 1.115 nan 8.310 nan 0.000 0.605 187 A N 2.923 125.714 122.820 -0.048 0.000 2.131 187 A HA -0.162 4.137 4.320 -0.036 0.000 0.220 187 A C 2.108 179.682 177.584 -0.016 0.000 1.158 187 A CA 1.279 53.290 52.037 -0.043 0.000 0.665 187 A CB -0.459 18.513 19.000 -0.046 0.000 0.795 187 A HN 0.955 nan 8.150 nan 0.000 0.460 188 E N -1.107 119.095 120.200 0.003 0.000 2.474 188 E HA 0.122 4.451 4.350 -0.036 0.000 0.194 188 E C 1.207 177.827 176.600 0.032 0.000 1.041 188 E CA 0.606 57.014 56.400 0.014 0.000 0.874 188 E CB -0.071 29.639 29.700 0.016 0.000 0.914 188 E HN 0.275 nan 8.360 nan 0.000 0.498 189 V N 1.676 121.617 119.914 0.045 0.000 3.608 189 V HA -0.037 4.061 4.120 -0.036 0.000 0.269 189 V C 1.704 177.844 176.094 0.077 0.000 1.245 189 V CA 0.753 63.095 62.300 0.070 0.000 1.138 189 V CB 0.819 32.705 31.823 0.106 0.000 0.841 189 V HN 0.402 nan 8.190 nan 0.000 0.451 190 V N -3.239 116.714 119.914 0.064 0.000 3.635 190 V HA 0.268 4.367 4.120 -0.036 0.000 0.266 190 V C 1.846 177.984 176.094 0.074 0.000 1.316 190 V CA 1.082 63.427 62.300 0.076 0.000 1.060 190 V CB 0.285 32.167 31.823 0.098 0.000 0.820 190 V HN 0.478 nan 8.190 nan 0.000 0.447 191 E N 2.154 122.384 120.200 0.051 0.000 2.371 191 E HA -0.139 4.190 4.350 -0.036 0.000 0.194 191 E C 1.991 178.653 176.600 0.103 0.000 1.012 191 E CA 1.105 57.542 56.400 0.061 0.000 0.860 191 E CB 0.202 29.904 29.700 0.003 0.000 0.811 191 E HN 0.891 nan 8.360 nan 0.000 0.502 192 K N 0.172 120.614 120.400 0.071 0.000 2.186 192 K HA -0.053 4.246 4.320 -0.036 0.000 0.202 192 K C 1.937 178.563 176.600 0.044 0.000 1.052 192 K CA 0.981 57.302 56.287 0.056 0.000 0.965 192 K CB -0.064 32.458 32.500 0.038 0.000 0.746 192 K HN -0.046 nan 8.250 nan 0.000 0.457 193 E N 0.206 120.430 120.200 0.039 0.000 2.358 193 E HA -0.156 4.173 4.350 -0.036 0.000 0.195 193 E C 1.440 178.038 176.600 -0.004 0.000 1.010 193 E CA 0.294 56.687 56.400 -0.013 0.000 0.856 193 E CB -0.005 29.659 29.700 -0.061 0.000 0.795 193 E HN 0.534 nan 8.360 nan 0.000 0.504 194 Y N 0.227 120.492 120.300 -0.058 0.000 2.420 194 Y HA 0.019 4.548 4.550 -0.036 0.000 0.292 194 Y C 2.006 177.885 175.900 -0.036 0.000 1.119 194 Y CA 0.963 59.034 58.100 -0.049 0.000 1.229 194 Y CB 0.353 38.794 38.460 -0.031 0.000 1.026 194 Y HN 0.012 nan 8.280 nan 0.000 0.554 195 Q N -0.652 119.195 119.800 0.079 0.000 2.398 195 Q HA 0.044 4.363 4.340 -0.036 0.000 0.204 195 Q C 1.783 177.745 176.000 -0.062 0.000 0.932 195 Q CA 0.768 56.574 55.803 0.006 0.000 0.916 195 Q CB 0.172 28.959 28.738 0.080 0.000 1.024 195 Q HN 0.421 nan 8.270 nan 0.000 0.504 196 V N -0.180 119.697 119.914 -0.062 0.000 2.599 196 V HA -0.111 3.988 4.120 -0.036 0.000 0.245 196 V C 1.899 177.927 176.094 -0.110 0.000 1.046 196 V CA 1.085 63.343 62.300 -0.070 0.000 1.065 196 V CB 0.007 31.800 31.823 -0.051 0.000 0.703 196 V HN 0.300 nan 8.190 nan 0.000 0.464 197 Q N 0.173 119.878 119.800 -0.159 0.000 2.123 197 Q HA -0.078 4.241 4.340 -0.036 0.000 0.199 197 Q C 2.180 178.052 176.000 -0.213 0.000 0.966 197 Q CA 1.421 57.115 55.803 -0.183 0.000 0.845 197 Q CB -0.313 28.304 28.738 -0.202 0.000 0.907 197 Q HN 0.722 nan 8.270 nan 0.000 0.439 198 L N -1.434 119.604 121.223 -0.308 0.000 2.418 198 L HA 0.094 4.413 4.340 -0.036 0.000 0.218 198 L C 1.090 177.861 176.870 -0.165 0.000 1.125 198 L CA 1.394 56.061 54.840 -0.289 0.000 0.835 198 L CB -0.344 41.449 42.059 -0.444 0.000 0.953 198 L HN -0.186 nan 8.230 nan 0.000 0.454 199 D N 1.008 121.329 120.400 -0.133 0.000 2.103 199 D HA -0.080 4.538 4.640 -0.036 0.000 0.199 199 D C 2.241 178.497 176.300 -0.073 0.000 0.978 199 D CA 1.904 55.854 54.000 -0.084 0.000 0.829 199 D CB -0.188 40.574 40.800 -0.065 0.000 0.981 199 D HN 0.426 nan 8.370 nan 0.000 0.464 200 I N 1.017 121.539 120.570 -0.079 0.000 2.145 200 I HA -0.337 3.811 4.170 -0.036 0.000 0.244 200 I C 2.376 178.456 176.117 -0.062 0.000 1.075 200 I CA 1.458 62.718 61.300 -0.066 0.000 1.332 200 I CB -0.373 37.584 38.000 -0.071 0.000 1.033 200 I HN -0.026 nan 8.210 nan 0.000 0.410 201 A N 0.129 122.902 122.820 -0.079 0.000 1.897 201 A HA -0.083 4.216 4.320 -0.036 0.000 0.215 201 A C 2.244 179.795 177.584 -0.054 0.000 1.181 201 A CA 1.166 53.163 52.037 -0.067 0.000 0.620 201 A CB -0.460 18.491 19.000 -0.083 0.000 0.821 201 A HN 0.369 nan 8.150 nan 0.000 0.443 202 M N 0.742 120.305 119.600 -0.061 0.000 2.639 202 M HA -0.049 4.410 4.480 -0.036 0.000 0.220 202 M C 1.641 177.921 176.300 -0.035 0.000 1.155 202 M CA 0.490 55.763 55.300 -0.046 0.000 1.003 202 M CB -0.119 32.451 32.600 -0.049 0.000 1.725 202 M HN 0.742 nan 8.290 nan 0.000 0.489 203 Q N -2.252 117.528 119.800 -0.033 0.000 2.339 203 Q HA 0.066 4.385 4.340 -0.036 0.000 0.205 203 Q C 1.513 177.500 176.000 -0.021 0.000 0.925 203 Q CA 0.707 56.495 55.803 -0.026 0.000 0.898 203 Q CB -0.193 28.529 28.738 -0.026 0.000 1.013 203 Q HN 0.161 nan 8.270 nan 0.000 0.504 204 S N 0.637 116.325 115.700 -0.021 0.000 2.493 204 S HA -0.003 4.446 4.470 -0.036 0.000 0.243 204 S C 1.372 175.963 174.600 -0.014 0.000 0.991 204 S CA 1.043 59.233 58.200 -0.017 0.000 0.957 204 S CB -0.408 62.782 63.200 -0.017 0.000 0.756 204 S HN 0.819 nan 8.310 nan 0.000 0.521 205 G N 1.754 110.545 108.800 -0.015 0.000 2.159 205 G HA2 -0.287 3.651 3.960 -0.036 0.000 0.256 205 G HA3 -0.287 3.651 3.960 -0.036 0.000 0.256 205 G C -0.106 174.787 174.900 -0.012 0.000 0.977 205 G CA 0.187 45.280 45.100 -0.012 0.000 0.652 205 G HN 0.615 nan 8.290 nan 0.000 0.531 206 K N 0.861 121.253 120.400 -0.014 0.000 2.412 206 K HA 0.444 4.743 4.320 -0.036 0.000 0.281 206 K C -2.302 174.291 176.600 -0.012 0.000 1.027 206 K CA -1.507 54.772 56.287 -0.012 0.000 0.989 206 K CB 0.431 32.922 32.500 -0.015 0.000 0.935 206 K HN 0.052 nan 8.250 nan 0.000 0.475 207 P HA -0.164 nan 4.420 nan 0.000 0.267 207 P C 0.584 177.881 177.300 -0.006 0.000 1.175 207 P CA 0.160 63.257 63.100 -0.005 0.000 0.763 207 P CB 0.532 32.231 31.700 -0.001 0.000 0.795 208 K N 2.312 122.710 120.400 -0.003 0.000 2.001 208 K HA -0.263 4.035 4.320 -0.036 0.000 0.214 208 K C 1.719 178.322 176.600 0.004 0.000 1.050 208 K CA 2.277 58.564 56.287 -0.001 0.000 0.934 208 K CB -0.217 32.286 32.500 0.005 0.000 0.718 208 K HN 0.512 nan 8.250 nan 0.000 0.443 209 E N 0.469 120.675 120.200 0.010 0.000 2.130 209 E HA -0.237 4.091 4.350 -0.036 0.000 0.196 209 E C 2.011 178.619 176.600 0.014 0.000 0.998 209 E CA 1.365 57.775 56.400 0.016 0.000 0.806 209 E CB -0.261 29.447 29.700 0.014 0.000 0.738 209 E HN 0.277 nan 8.360 nan 0.000 0.459 210 I N 1.640 122.213 120.570 0.005 0.000 2.113 210 I HA -0.223 3.926 4.170 -0.036 0.000 0.238 210 I C 2.607 178.722 176.117 -0.004 0.000 1.070 210 I CA 1.452 62.753 61.300 0.002 0.000 1.332 210 I CB -1.632 36.366 38.000 -0.003 0.000 1.044 210 I HN 0.117 nan 8.210 nan 0.000 0.402 211 A N 0.460 123.270 122.820 -0.017 0.000 1.902 211 A HA -0.211 4.088 4.320 -0.036 0.000 0.217 211 A C 2.258 179.814 177.584 -0.047 0.000 1.181 211 A CA 1.643 53.656 52.037 -0.040 0.000 0.623 211 A CB -0.693 18.272 19.000 -0.058 0.000 0.818 211 A HN 0.504 nan 8.150 nan 0.000 0.443 212 E N -0.603 119.584 120.200 -0.021 0.000 2.038 212 E HA -0.252 4.076 4.350 -0.036 0.000 0.195 212 E C 2.136 178.786 176.600 0.083 0.000 1.000 212 E CA 1.524 57.941 56.400 0.029 0.000 0.803 212 E CB -0.149 29.608 29.700 0.094 0.000 0.750 212 E HN 0.453 nan 8.360 nan 0.000 0.448 213 K N 1.040 121.475 120.400 0.058 0.000 2.063 213 K HA -0.116 4.182 4.320 -0.036 0.000 0.208 213 K C 1.923 178.552 176.600 0.048 0.000 1.048 213 K CA 1.511 57.832 56.287 0.056 0.000 0.928 213 K CB -0.147 32.374 32.500 0.035 0.000 0.713 213 K HN 0.090 nan 8.250 nan 0.000 0.442 214 M N -0.714 118.901 119.600 0.024 0.000 2.156 214 M HA -0.123 4.336 4.480 -0.036 0.000 0.264 214 M C 2.050 178.360 176.300 0.017 0.000 1.067 214 M CA 1.151 56.459 55.300 0.014 0.000 1.131 214 M CB -0.167 32.431 32.600 -0.004 0.000 1.368 214 M HN -0.085 nan 8.290 nan 0.000 0.416 215 V N 0.694 120.605 119.914 -0.006 0.000 2.332 215 V HA -0.287 3.812 4.120 -0.036 0.000 0.248 215 V C 2.270 178.427 176.094 0.106 0.000 1.055 215 V CA 2.202 64.489 62.300 -0.021 0.000 1.038 215 V CB -0.767 30.935 31.823 -0.202 0.000 0.651 215 V HN 0.537 nan 8.190 nan 0.000 0.450 216 E N 0.222 120.536 120.200 0.190 0.000 2.038 216 E HA -0.220 4.108 4.350 -0.036 0.000 0.195 216 E C 2.282 178.952 176.600 0.116 0.000 1.000 216 E CA 1.635 58.158 56.400 0.205 0.000 0.803 216 E CB -0.542 29.257 29.700 0.165 0.000 0.750 216 E HN 0.568 nan 8.360 nan 0.000 0.448 217 G N 0.867 109.717 108.800 0.083 0.000 2.440 217 G HA2 -0.343 3.595 3.960 -0.036 0.000 0.218 217 G HA3 -0.343 3.595 3.960 -0.036 0.000 0.218 217 G C 1.688 176.632 174.900 0.073 0.000 1.154 217 G CA 1.008 46.147 45.100 0.065 0.000 0.767 217 G HN 0.212 nan 8.290 nan 0.000 0.552 218 R N -0.108 120.432 120.500 0.067 0.000 2.080 218 R HA -0.030 4.289 4.340 -0.036 0.000 0.236 218 R C 2.575 178.947 176.300 0.119 0.000 1.137 218 R CA 1.658 57.801 56.100 0.071 0.000 0.943 218 R CB -0.457 29.860 30.300 0.028 0.000 0.846 218 R HN 0.240 nan 8.270 nan 0.000 0.431 219 M N 0.736 120.407 119.600 0.119 0.000 2.267 219 M HA -0.152 4.306 4.480 -0.036 0.000 0.263 219 M C 2.093 178.526 176.300 0.222 0.000 1.063 219 M CA 1.639 57.045 55.300 0.176 0.000 1.090 219 M CB -0.777 31.924 32.600 0.167 0.000 1.392 219 M HN 0.256 nan 8.290 nan 0.000 0.422 220 K N 1.127 121.613 120.400 0.143 0.000 2.031 220 K HA -0.144 4.155 4.320 -0.036 0.000 0.205 220 K C 2.058 178.719 176.600 0.102 0.000 1.049 220 K CA 1.175 57.523 56.287 0.102 0.000 0.939 220 K CB 0.050 32.590 32.500 0.066 0.000 0.717 220 K HN 0.309 nan 8.250 nan 0.000 0.438 221 K N 0.061 120.529 120.400 0.113 0.000 2.228 221 K HA -0.134 4.165 4.320 -0.036 0.000 0.202 221 K C 2.045 178.717 176.600 0.119 0.000 1.051 221 K CA 0.961 57.305 56.287 0.094 0.000 0.960 221 K CB -0.480 32.069 32.500 0.081 0.000 0.743 221 K HN 0.201 nan 8.250 nan 0.000 0.458 222 F N 3.309 123.279 119.950 0.034 0.000 2.171 222 F HA -0.125 4.381 4.527 -0.035 0.000 0.300 222 F C 1.913 177.743 175.800 0.050 0.000 1.090 222 F CA 1.658 59.684 58.000 0.042 0.000 1.293 222 F CB -0.386 38.639 39.000 0.042 0.000 1.013 222 F HN -0.075 nan 8.300 nan 0.000 0.486 223 T N 0.054 114.573 114.554 -0.059 0.000 2.942 223 T HA 0.021 4.350 4.350 -0.036 0.000 0.265 223 T C 2.086 176.711 174.700 -0.124 0.000 1.062 223 T CA 1.069 63.064 62.100 -0.175 0.000 1.139 223 T CB -0.804 68.062 68.868 -0.003 0.000 0.883 223 T HN 0.478 nan 8.240 nan 0.000 0.468 224 G N 1.556 110.326 108.800 -0.049 0.000 2.421 224 G HA2 -0.167 3.772 3.960 -0.036 0.000 0.216 224 G HA3 -0.167 3.772 3.960 -0.036 0.000 0.216 224 G C 1.380 176.267 174.900 -0.022 0.000 1.171 224 G CA 0.532 45.621 45.100 -0.018 0.000 0.775 224 G HN 0.517 nan 8.290 nan 0.000 0.543 225 E N -0.127 120.045 120.200 -0.048 0.000 2.274 225 E HA -0.001 4.328 4.350 -0.036 0.000 0.194 225 E C 2.292 178.865 176.600 -0.045 0.000 0.996 225 E CA 0.377 56.758 56.400 -0.031 0.000 0.840 225 E CB 0.117 29.800 29.700 -0.028 0.000 0.772 225 E HN 0.332 nan 8.360 nan 0.000 0.491 226 V N 1.067 120.915 119.914 -0.109 0.000 3.541 226 V HA -0.027 4.072 4.120 -0.036 0.000 0.267 226 V C 0.697 176.869 176.094 0.130 0.000 1.213 226 V CA 0.580 62.858 62.300 -0.037 0.000 1.149 226 V CB 0.028 31.753 31.823 -0.162 0.000 0.822 226 V HN 0.163 nan 8.190 nan 0.000 0.462 227 S N -1.021 114.741 115.700 0.103 0.000 2.501 227 S HA 0.502 4.950 4.470 -0.036 0.000 0.301 227 S C 0.736 175.403 174.600 0.111 0.000 1.096 227 S CA -0.582 57.719 58.200 0.168 0.000 1.063 227 S CB 2.177 65.450 63.200 0.122 0.000 1.042 227 S HN 0.124 nan 8.310 nan 0.000 0.494 228 L N 1.895 123.185 121.223 0.112 0.000 1.965 228 L HA -0.222 4.097 4.340 -0.036 0.000 0.226 228 L C 2.730 179.597 176.870 -0.005 0.000 1.083 228 L CA 2.338 57.191 54.840 0.021 0.000 0.790 228 L CB -1.190 40.851 42.059 -0.031 0.000 0.898 228 L HN 0.915 nan 8.230 nan 0.000 0.439 229 T N -0.758 113.799 114.554 0.005 0.000 2.684 229 T HA -0.245 4.083 4.350 -0.036 0.000 0.267 229 T C 1.380 176.076 174.700 -0.007 0.000 1.032 229 T CA 1.586 63.677 62.100 -0.015 0.000 1.155 229 T CB -0.618 68.254 68.868 0.008 0.000 0.857 229 T HN 0.656 nan 8.240 nan 0.000 0.457 230 G N 0.415 109.226 108.800 0.018 0.000 2.880 230 G HA2 0.081 4.019 3.960 -0.036 0.000 0.209 230 G HA3 0.081 4.019 3.960 -0.036 0.000 0.209 230 G C 0.441 175.365 174.900 0.041 0.000 1.157 230 G CA -0.201 44.913 45.100 0.023 0.000 0.779 230 G HN 0.453 nan 8.290 nan 0.000 0.539 231 Q N 0.790 120.628 119.800 0.063 0.000 2.259 231 Q HA 0.247 4.565 4.340 -0.036 0.000 0.249 231 Q C -2.538 173.544 176.000 0.137 0.000 0.914 231 Q CA -2.118 53.762 55.803 0.127 0.000 0.904 231 Q CB 1.325 30.215 28.738 0.254 0.000 1.213 231 Q HN 0.003 nan 8.270 nan 0.000 0.428 232 P HA -0.107 nan 4.420 nan 0.000 0.263 232 P C -0.837 176.634 177.300 0.286 0.000 1.195 232 P CA 0.070 63.274 63.100 0.174 0.000 0.762 232 P CB 0.154 31.942 31.700 0.147 0.000 0.799 233 F N 5.371 125.336 119.950 0.025 0.000 2.578 233 F HA -0.022 4.484 4.527 -0.035 0.000 0.381 233 F C 1.409 177.285 175.800 0.127 0.000 1.069 233 F CA -0.607 57.386 58.000 -0.013 0.000 1.231 233 F CB 0.282 39.228 39.000 -0.089 0.000 1.086 233 F HN 0.177 nan 8.300 nan 0.000 0.564 234 V N 4.451 124.379 119.914 0.024 0.000 2.594 234 V HA -0.251 3.848 4.120 -0.036 0.000 0.253 234 V C 1.647 177.538 176.094 -0.337 0.000 1.069 234 V CA 2.053 64.288 62.300 -0.109 0.000 1.082 234 V CB -1.003 30.812 31.823 -0.013 0.000 0.680 234 V HN 0.841 nan 8.190 nan 0.000 0.469 235 M N 0.238 119.191 119.600 -1.078 0.000 2.495 235 M HA 0.325 4.783 4.480 -0.036 0.000 0.237 235 M C 0.742 176.722 176.300 -0.533 0.000 1.131 235 M CA 0.718 55.445 55.300 -0.955 0.000 1.032 235 M CB 0.159 31.970 32.600 -1.315 0.000 1.513 235 M HN 0.555 nan 8.290 nan 0.000 0.488 236 E N 0.342 120.326 120.200 -0.361 0.000 2.829 236 E HA 0.145 4.474 4.350 -0.036 0.000 0.369 236 E C -2.363 174.273 176.600 0.061 0.000 1.097 236 E CA -0.897 55.480 56.400 -0.037 0.000 0.822 236 E CB 0.896 30.654 29.700 0.097 0.000 1.502 236 E HN -0.080 nan 8.360 nan 0.000 0.387 237 P HA -0.162 nan 4.420 nan 0.000 0.223 237 P C 1.181 178.531 177.300 0.084 0.000 1.144 237 P CA 1.220 64.365 63.100 0.076 0.000 0.783 237 P CB 0.147 31.881 31.700 0.057 0.000 0.771 238 S N -1.329 114.412 115.700 0.070 0.000 2.555 238 S HA -0.085 4.363 4.470 -0.036 0.000 0.230 238 S C 0.794 175.435 174.600 0.067 0.000 0.978 238 S CA 0.233 58.470 58.200 0.062 0.000 0.934 238 S CB -0.815 62.414 63.200 0.049 0.000 0.766 238 S HN 0.275 nan 8.310 nan 0.000 0.533 239 K N 1.364 121.819 120.400 0.091 0.000 2.422 239 K HA 0.430 4.729 4.320 -0.036 0.000 0.251 239 K C -0.415 176.242 176.600 0.095 0.000 0.933 239 K CA -0.611 55.725 56.287 0.082 0.000 0.798 239 K CB 1.837 34.383 32.500 0.077 0.000 1.238 239 K HN 0.078 nan 8.250 nan 0.000 0.428 240 T N -0.623 113.960 114.554 0.048 0.000 2.868 240 T HA 0.098 4.426 4.350 -0.036 0.000 0.292 240 T C 1.416 176.083 174.700 -0.054 0.000 1.028 240 T CA -0.715 61.400 62.100 0.025 0.000 1.059 240 T CB 1.149 70.023 68.868 0.010 0.000 0.991 240 T HN 0.348 nan 8.240 nan 0.000 0.531 241 V N 2.532 122.367 119.914 -0.131 0.000 2.469 241 V HA -0.051 4.047 4.120 -0.036 0.000 0.251 241 V C 2.860 178.826 176.094 -0.213 0.000 1.064 241 V CA 2.247 64.368 62.300 -0.299 0.000 1.066 241 V CB -1.629 29.960 31.823 -0.390 0.000 0.667 241 V HN 1.114 nan 8.190 nan 0.000 0.461 242 G N -0.734 107.997 108.800 -0.116 0.000 2.421 242 G HA2 -0.270 3.669 3.960 -0.036 0.000 0.216 242 G HA3 -0.270 3.669 3.960 -0.036 0.000 0.216 242 G C 1.491 176.351 174.900 -0.067 0.000 1.171 242 G CA 0.826 45.881 45.100 -0.075 0.000 0.775 242 G HN 0.550 nan 8.290 nan 0.000 0.543 243 Q N -0.532 119.235 119.800 -0.055 0.000 2.084 243 Q HA -0.031 4.288 4.340 -0.036 0.000 0.202 243 Q C 2.474 178.447 176.000 -0.045 0.000 0.978 243 Q CA 1.062 56.844 55.803 -0.035 0.000 0.844 243 Q CB -0.309 28.421 28.738 -0.014 0.000 0.898 243 Q HN 0.408 nan 8.270 nan 0.000 0.426 244 L N 0.815 121.974 121.223 -0.106 0.000 1.990 244 L HA -0.218 4.101 4.340 -0.036 0.000 0.213 244 L C 1.955 178.791 176.870 -0.058 0.000 1.072 244 L CA 1.733 56.487 54.840 -0.144 0.000 0.755 244 L CB -0.499 41.279 42.059 -0.468 0.000 0.889 244 L HN 0.208 nan 8.230 nan 0.000 0.432 245 L N -0.764 120.383 121.223 -0.127 0.000 2.012 245 L HA -0.262 4.057 4.340 -0.036 0.000 0.210 245 L C 2.658 179.529 176.870 0.002 0.000 1.073 245 L CA 1.674 56.465 54.840 -0.082 0.000 0.748 245 L CB -0.613 41.386 42.059 -0.101 0.000 0.891 245 L HN 0.262 nan 8.230 nan 0.000 0.431 246 K N 0.069 120.464 120.400 -0.008 0.000 2.032 246 K HA -0.227 4.072 4.320 -0.036 0.000 0.209 246 K C 1.986 178.590 176.600 0.006 0.000 1.048 246 K CA 1.717 58.003 56.287 -0.002 0.000 0.927 246 K CB -0.175 32.318 32.500 -0.011 0.000 0.712 246 K HN 0.332 nan 8.250 nan 0.000 0.441 247 E N -0.281 119.927 120.200 0.014 0.000 2.187 247 E HA -0.211 4.117 4.350 -0.036 0.000 0.199 247 E C 1.199 177.717 176.600 -0.137 0.000 1.004 247 E CA 1.392 57.763 56.400 -0.049 0.000 0.813 247 E CB -0.093 29.578 29.700 -0.048 0.000 0.736 247 E HN 0.444 nan 8.360 nan 0.000 0.468 248 H N -0.708 118.324 119.070 -0.063 0.000 2.549 248 H HA 0.227 4.762 4.556 -0.035 0.000 0.279 248 H C -0.411 174.888 175.328 -0.049 0.000 1.018 248 H CA -0.089 55.924 56.048 -0.058 0.000 1.175 248 H CB 0.031 29.747 29.762 -0.076 0.000 1.485 248 H HN 0.123 nan 8.280 nan 0.000 0.543 249 N N 0.090 118.816 118.700 0.043 0.000 2.708 249 N HA -0.213 4.506 4.740 -0.036 0.000 0.251 249 N C -0.566 174.956 175.510 0.020 0.000 1.017 249 N CA 0.187 53.247 53.050 0.017 0.000 0.742 249 N CB -0.466 38.022 38.487 0.001 0.000 0.943 249 N HN 0.480 nan 8.380 nan 0.000 0.539 250 A N 0.273 123.106 122.820 0.022 0.000 2.344 250 A HA 0.778 5.077 4.320 -0.036 0.000 0.307 250 A C -0.334 177.239 177.584 -0.019 0.000 1.151 250 A CA -0.469 51.566 52.037 -0.003 0.000 0.842 250 A CB 1.799 20.787 19.000 -0.020 0.000 1.350 250 A HN 0.266 nan 8.150 nan 0.000 0.459 251 E N -0.028 120.159 120.200 -0.022 0.000 2.321 251 E HA 0.500 4.829 4.350 -0.036 0.000 0.278 251 E C -1.942 174.652 176.600 -0.010 0.000 0.902 251 E CA -0.548 55.843 56.400 -0.015 0.000 0.758 251 E CB 2.162 31.860 29.700 -0.003 0.000 1.213 251 E HN 0.395 nan 8.360 nan 0.000 0.426 252 V N 4.045 123.961 119.914 0.002 0.000 2.432 252 V HA 0.092 4.190 4.120 -0.036 0.000 0.271 252 V C 0.955 177.081 176.094 0.054 0.000 1.046 252 V CA 0.167 62.486 62.300 0.032 0.000 0.945 252 V CB 1.281 33.137 31.823 0.055 0.000 0.992 252 V HN 0.895 nan 8.190 nan 0.000 0.471 253 T N 3.694 118.275 114.554 0.044 0.000 2.894 253 T HA 0.253 4.581 4.350 -0.036 0.000 0.258 253 T C 0.680 175.398 174.700 0.029 0.000 1.043 253 T CA 1.231 63.349 62.100 0.030 0.000 1.141 253 T CB 0.166 69.043 68.868 0.015 0.000 0.873 253 T HN 0.909 nan 8.240 nan 0.000 0.449 254 G N 0.372 109.203 108.800 0.052 0.000 2.523 254 G HA2 0.517 4.456 3.960 -0.036 0.000 0.291 254 G HA3 0.517 4.456 3.960 -0.036 0.000 0.291 254 G C -2.071 172.893 174.900 0.106 0.000 1.450 254 G CA -0.914 44.185 45.100 -0.001 0.000 0.790 254 G HN 0.276 nan 8.290 nan 0.000 0.496 255 F N -1.227 118.711 119.950 -0.019 0.000 2.678 255 F HA 0.846 5.352 4.527 -0.036 0.000 0.308 255 F C -1.432 174.349 175.800 -0.031 0.000 1.118 255 F CA -1.670 56.316 58.000 -0.023 0.000 0.959 255 F CB 1.414 40.415 39.000 0.000 0.000 1.305 255 F HN 0.475 nan 8.300 nan 0.000 0.443 256 I N 2.774 123.439 120.570 0.157 0.000 2.499 256 I HA 0.494 4.643 4.170 -0.036 0.000 0.288 256 I C -0.923 175.279 176.117 0.142 0.000 1.048 256 I CA -0.733 60.601 61.300 0.057 0.000 1.062 256 I CB 2.238 40.151 38.000 -0.145 0.000 1.238 256 I HN 0.781 nan 8.210 nan 0.000 0.426 257 R N 5.895 126.548 120.500 0.256 0.000 2.360 257 R HA 0.556 4.874 4.340 -0.036 0.000 0.318 257 R C -1.832 174.730 176.300 0.437 0.000 0.950 257 R CA -0.462 55.791 56.100 0.255 0.000 0.837 257 R CB 1.138 31.576 30.300 0.230 0.000 1.165 257 R HN 0.309 nan 8.270 nan 0.000 0.458 258 F N 2.156 122.132 119.950 0.043 0.000 2.443 258 F HA 0.399 4.904 4.527 -0.036 0.000 0.335 258 F C 0.212 176.028 175.800 0.026 0.000 1.104 258 F CA -1.100 56.916 58.000 0.026 0.000 1.013 258 F CB 1.849 40.858 39.000 0.016 0.000 1.136 258 F HN 0.507 nan 8.300 nan 0.000 0.470 259 E N 2.128 122.415 120.200 0.145 0.000 2.234 259 E HA 0.454 4.783 4.350 -0.036 0.000 0.266 259 E C -1.318 175.304 176.600 0.037 0.000 0.877 259 E CA -0.724 55.726 56.400 0.084 0.000 0.758 259 E CB 2.088 31.820 29.700 0.053 0.000 1.170 259 E HN 0.347 nan 8.360 nan 0.000 0.415 260 V N 4.290 124.232 119.914 0.048 0.000 2.539 260 V HA 0.100 4.199 4.120 -0.036 0.000 0.300 260 V C 1.455 177.552 176.094 0.005 0.000 1.019 260 V CA 1.979 64.297 62.300 0.030 0.000 1.160 260 V CB 0.377 32.223 31.823 0.038 0.000 0.901 260 V HN 1.102 nan 8.190 nan 0.000 0.481 261 G N 3.432 112.225 108.800 -0.012 0.000 2.199 261 G HA2 -0.254 3.685 3.960 -0.036 0.000 0.254 261 G HA3 -0.254 3.685 3.960 -0.036 0.000 0.254 261 G C 0.142 175.026 174.900 -0.026 0.000 0.982 261 G CA 0.218 45.308 45.100 -0.016 0.000 0.632 261 G HN 0.731 nan 8.290 nan 0.000 0.529 262 E N 0.387 120.565 120.200 -0.036 0.000 2.966 262 E HA 0.266 4.595 4.350 -0.036 0.000 0.254 262 E C 1.508 178.078 176.600 -0.050 0.000 0.923 262 E CA 1.263 57.638 56.400 -0.043 0.000 0.960 262 E CB -0.317 29.343 29.700 -0.066 0.000 0.901 262 E HN 1.579 nan 8.360 nan 0.000 0.525 263 G N 3.762 112.544 108.800 -0.031 0.000 2.162 263 G HA2 -0.297 3.642 3.960 -0.036 0.000 0.260 263 G HA3 -0.297 3.642 3.960 -0.036 0.000 0.260 263 G C 0.257 175.143 174.900 -0.023 0.000 0.976 263 G CA 0.053 45.136 45.100 -0.028 0.000 0.655 263 G HN 0.554 nan 8.290 nan 0.000 0.533 264 I N 1.803 122.361 120.570 -0.021 0.000 2.307 264 I HA 0.228 4.376 4.170 -0.036 0.000 0.287 264 I C 1.627 177.740 176.117 -0.006 0.000 1.054 264 I CA -0.056 61.236 61.300 -0.013 0.000 1.218 264 I CB 0.503 38.495 38.000 -0.013 0.000 1.398 264 I HN 0.617 nan 8.210 nan 0.000 0.475 265 E N 6.418 126.616 120.200 -0.004 0.000 3.805 265 E HA -0.400 3.928 4.350 -0.036 0.000 0.265 265 E C -0.240 176.361 176.600 0.002 0.000 1.259 265 E CA 1.881 58.281 56.400 0.000 0.000 1.978 265 E CB -0.571 29.130 29.700 0.001 0.000 1.780 265 E HN 0.541 nan 8.360 nan 0.000 0.278 266 K N -0.679 119.722 120.400 0.002 0.000 3.228 266 K HA -0.074 4.225 4.320 -0.036 0.000 0.264 266 K C -0.632 175.972 176.600 0.007 0.000 1.204 266 K CA 0.821 57.111 56.287 0.004 0.000 0.797 266 K CB -2.360 30.143 32.500 0.005 0.000 1.344 266 K HN 0.446 nan 8.250 nan 0.000 0.505 267 V N 1.505 121.423 119.914 0.007 0.000 2.341 267 V HA 0.064 4.163 4.120 -0.036 0.000 0.248 267 V C 0.943 177.045 176.094 0.014 0.000 1.107 267 V CA 0.001 62.307 62.300 0.010 0.000 1.069 267 V CB 0.242 32.070 31.823 0.008 0.000 1.177 267 V HN 0.381 nan 8.190 nan 0.000 0.492 268 E N 4.456 124.665 120.200 0.016 0.000 2.422 268 E HA 0.194 4.522 4.350 -0.036 0.000 0.260 268 E C 0.043 176.660 176.600 0.030 0.000 1.108 268 E CA 0.118 56.532 56.400 0.022 0.000 0.943 268 E CB 0.760 30.473 29.700 0.023 0.000 0.961 268 E HN 0.837 nan 8.360 nan 0.000 0.443 269 T N 0.448 115.027 114.554 0.042 0.000 2.856 269 T HA 0.231 4.560 4.350 -0.036 0.000 0.283 269 T C -0.577 174.171 174.700 0.080 0.000 1.008 269 T CA -1.080 61.056 62.100 0.059 0.000 0.997 269 T CB 1.528 70.441 68.868 0.075 0.000 0.992 269 T HN 0.304 nan 8.240 nan 0.000 0.454 270 D N 2.175 122.620 120.400 0.075 0.000 2.493 270 D HA 0.219 4.837 4.640 -0.036 0.000 0.235 270 D C 0.578 176.943 176.300 0.108 0.000 1.117 270 D CA -1.289 52.761 54.000 0.082 0.000 0.930 270 D CB 0.048 40.871 40.800 0.038 0.000 1.010 270 D HN 0.459 nan 8.370 nan 0.000 0.514 271 F N 3.799 123.756 119.950 0.011 0.000 2.065 271 F HA -0.234 4.273 4.527 -0.033 0.000 0.298 271 F C 2.008 177.802 175.800 -0.011 0.000 1.112 271 F CA 2.110 60.115 58.000 0.007 0.000 1.212 271 F CB -0.322 38.699 39.000 0.034 0.000 0.975 271 F HN 0.398 nan 8.300 nan 0.000 0.476 272 A N 0.167 122.952 122.820 -0.059 0.000 1.908 272 A HA -0.087 4.212 4.320 -0.036 0.000 0.218 272 A C 2.414 179.877 177.584 -0.203 0.000 1.181 272 A CA 2.140 54.062 52.037 -0.190 0.000 0.627 272 A CB -1.597 17.363 19.000 -0.068 0.000 0.818 272 A HN 0.551 nan 8.150 nan 0.000 0.445 273 A N -0.364 122.386 122.820 -0.117 0.000 1.897 273 A HA -0.106 4.193 4.320 -0.036 0.000 0.215 273 A C 1.890 179.401 177.584 -0.122 0.000 1.181 273 A CA 1.456 53.435 52.037 -0.097 0.000 0.620 273 A CB -0.485 18.485 19.000 -0.049 0.000 0.821 273 A HN 0.626 nan 8.150 nan 0.000 0.443 274 E N -0.218 119.901 120.200 -0.135 0.000 2.110 274 E HA -0.131 4.198 4.350 -0.036 0.000 0.193 274 E C 1.955 178.435 176.600 -0.201 0.000 0.988 274 E CA 1.276 57.596 56.400 -0.134 0.000 0.804 274 E CB -0.284 29.360 29.700 -0.093 0.000 0.745 274 E HN 0.408 nan 8.360 nan 0.000 0.458 275 V N 1.431 121.144 119.914 -0.336 0.000 2.261 275 V HA -0.285 3.813 4.120 -0.036 0.000 0.246 275 V C 2.360 178.321 176.094 -0.223 0.000 1.047 275 V CA 1.941 64.027 62.300 -0.356 0.000 1.015 275 V CB -0.750 30.747 31.823 -0.544 0.000 0.642 275 V HN 0.331 nan 8.190 nan 0.000 0.446 276 A N -0.135 122.572 122.820 -0.188 0.000 1.902 276 A HA -0.113 4.185 4.320 -0.036 0.000 0.217 276 A C 2.420 179.944 177.584 -0.100 0.000 1.181 276 A CA 2.135 54.096 52.037 -0.126 0.000 0.623 276 A CB -0.799 18.140 19.000 -0.103 0.000 0.818 276 A HN 0.573 nan 8.150 nan 0.000 0.443 277 A N -0.637 122.125 122.820 -0.097 0.000 1.851 277 A HA -0.190 4.108 4.320 -0.036 0.000 0.216 277 A C 2.300 179.839 177.584 -0.075 0.000 1.195 277 A CA 2.071 54.064 52.037 -0.074 0.000 0.622 277 A CB -0.617 18.343 19.000 -0.066 0.000 0.831 277 A HN 0.560 nan 8.150 nan 0.000 0.444 278 M N -0.692 118.854 119.600 -0.090 0.000 2.202 278 M HA -0.149 4.310 4.480 -0.036 0.000 0.262 278 M C 2.335 178.585 176.300 -0.084 0.000 1.063 278 M CA 1.852 57.101 55.300 -0.085 0.000 1.097 278 M CB -0.094 32.445 32.600 -0.101 0.000 1.382 278 M HN 0.454 nan 8.290 nan 0.000 0.413 279 S N -0.083 115.560 115.700 -0.095 0.000 2.383 279 S HA -0.121 4.328 4.470 -0.036 0.000 0.227 279 S C 1.790 176.351 174.600 -0.065 0.000 1.026 279 S CA 1.155 59.302 58.200 -0.087 0.000 0.981 279 S CB -0.044 63.097 63.200 -0.097 0.000 0.818 279 S HN 0.462 nan 8.310 nan 0.000 0.472 280 K N 0.892 121.257 120.400 -0.059 0.000 1.973 280 K HA -0.142 4.157 4.320 -0.036 0.000 0.210 280 K C 2.481 179.057 176.600 -0.040 0.000 1.045 280 K CA 1.625 57.885 56.287 -0.045 0.000 0.937 280 K CB -0.448 32.027 32.500 -0.041 0.000 0.721 280 K HN 0.635 nan 8.250 nan 0.000 0.438 281 Q N 0.704 120.480 119.800 -0.040 0.000 2.217 281 Q HA -0.110 4.209 4.340 -0.036 0.000 0.209 281 Q C 0.556 176.536 176.000 -0.033 0.000 0.988 281 Q CA 1.131 56.913 55.803 -0.034 0.000 0.878 281 Q CB -0.297 28.421 28.738 -0.034 0.000 0.909 281 Q HN 0.014 nan 8.270 nan 0.000 0.424 1010 P HA 0.054 nan 4.420 nan 0.000 0.268 1010 P C -1.265 176.021 177.300 -0.022 0.000 1.205 1010 P CA -0.099 62.990 63.100 -0.020 0.000 0.771 1010 P CB 0.331 31.995 31.700 -0.059 0.000 0.858 1011 H N 2.375 121.404 119.070 -0.068 0.000 2.504 1011 H HA 0.403 4.938 4.556 -0.036 0.000 0.322 1011 H C -1.324 173.930 175.328 -0.123 0.000 1.055 1011 H CA -0.484 55.527 56.048 -0.061 0.000 1.231 1011 H CB 0.852 30.631 29.762 0.028 0.000 1.417 1011 H HN 0.041 nan 8.280 nan 0.000 0.472 1012 V N 5.663 125.301 119.914 -0.461 0.000 2.540 1012 V HA 0.208 4.306 4.120 -0.036 0.000 0.302 1012 V C -0.209 175.786 176.094 -0.166 0.000 1.035 1012 V CA -0.961 61.191 62.300 -0.248 0.000 0.873 1012 V CB 1.706 33.332 31.823 -0.330 0.000 0.992 1012 V HN 0.767 nan 8.190 nan 0.000 0.428 1013 N N 2.502 121.220 118.700 0.030 0.000 2.426 1013 N HA 0.668 5.386 4.740 -0.036 0.000 0.275 1013 N C -0.560 174.992 175.510 0.070 0.000 1.019 1013 N CA -0.405 52.683 53.050 0.064 0.000 0.941 1013 N CB 2.021 40.571 38.487 0.105 0.000 1.123 1013 N HN 0.675 nan 8.380 nan 0.000 0.486 1014 V N -1.011 118.918 119.914 0.025 0.000 3.141 1014 V HA 1.028 5.126 4.120 -0.036 0.000 0.312 1014 V C 0.087 176.063 176.094 -0.197 0.000 1.157 1014 V CA -0.853 61.415 62.300 -0.054 0.000 1.041 1014 V CB 1.671 33.456 31.823 -0.064 0.000 1.071 1014 V HN 0.604 nan 8.190 nan 0.000 0.441 1015 G N 0.199 108.833 108.800 -0.277 0.000 2.718 1015 G HA2 0.678 4.617 3.960 -0.036 0.000 0.295 1015 G HA3 0.678 4.617 3.960 -0.036 0.000 0.295 1015 G C -0.715 173.985 174.900 -0.332 0.000 1.421 1015 G CA -0.052 44.844 45.100 -0.340 0.000 0.902 1015 G HN 1.292 nan 8.290 nan 0.000 0.501 1016 T N -0.859 113.542 114.554 -0.256 0.000 2.867 1016 T HA 0.748 5.077 4.350 -0.036 0.000 0.282 1016 T C -0.193 174.378 174.700 -0.215 0.000 1.000 1016 T CA -0.630 61.383 62.100 -0.145 0.000 1.042 1016 T CB 1.912 70.809 68.868 0.048 0.000 0.973 1016 T HN 0.641 nan 8.240 nan 0.000 0.465 1017 I N 0.801 121.222 120.570 -0.249 0.000 2.802 1017 I HA 0.699 4.847 4.170 -0.036 0.000 0.298 1017 I C -0.153 175.671 176.117 -0.488 0.000 1.176 1017 I CA -0.120 60.947 61.300 -0.388 0.000 1.025 1017 I CB 1.728 39.490 38.000 -0.396 0.000 1.243 1017 I HN 1.132 nan 8.210 nan 0.000 0.424 1018 G N 4.309 112.594 108.800 -0.858 0.000 2.359 1018 G HA2 0.057 3.996 3.960 -0.036 0.000 0.293 1018 G HA3 0.057 3.996 3.960 -0.036 0.000 0.293 1018 G C -1.585 172.928 174.900 -0.646 0.000 1.300 1018 G CA -0.854 43.738 45.100 -0.847 0.000 0.888 1018 G HN 0.860 nan 8.290 nan 0.000 0.541 1019 H N 0.160 118.984 119.070 -0.410 0.000 2.897 1019 H HA 0.180 4.714 4.556 -0.036 0.000 0.347 1019 H C 2.183 177.382 175.328 -0.216 0.000 1.068 1019 H CA 0.697 56.556 56.048 -0.315 0.000 1.426 1019 H CB 1.423 30.766 29.762 -0.698 0.000 1.410 1019 H HN 0.752 nan 8.280 nan 0.000 0.597 1020 V N 1.488 121.032 119.914 -0.617 0.000 2.546 1020 V HA -0.212 3.887 4.120 -0.036 0.000 0.254 1020 V C 0.886 176.782 176.094 -0.329 0.000 1.076 1020 V CA 2.033 64.089 62.300 -0.405 0.000 1.087 1020 V CB -0.152 31.473 31.823 -0.330 0.000 0.674 1020 V HN 0.689 nan 8.190 nan 0.000 0.470 1021 D N -1.208 118.914 120.400 -0.464 0.000 2.369 1021 D HA 0.111 4.730 4.640 -0.036 0.000 0.211 1021 D C 1.539 177.951 176.300 0.187 0.000 1.077 1021 D CA 0.403 54.359 54.000 -0.074 0.000 0.842 1021 D CB -0.260 40.555 40.800 0.024 0.000 0.947 1021 D HN 0.678 nan 8.370 nan 0.000 0.509 1022 H N -0.180 118.893 119.070 0.004 0.000 2.539 1022 H HA 0.246 4.781 4.556 -0.036 0.000 0.269 1022 H C 0.880 176.225 175.328 0.028 0.000 0.980 1022 H CA 0.050 56.127 56.048 0.049 0.000 1.152 1022 H CB 0.748 30.560 29.762 0.083 0.000 1.407 1022 H HN 0.135 nan 8.280 nan 0.000 0.564 1023 G N 1.788 110.657 108.800 0.115 0.000 2.203 1023 G HA2 -0.261 3.678 3.960 -0.036 0.000 0.231 1023 G HA3 -0.261 3.678 3.960 -0.036 0.000 0.231 1023 G C 0.860 175.791 174.900 0.053 0.000 1.058 1023 G CA 0.166 45.303 45.100 0.061 0.000 0.781 1023 G HN 0.350 nan 8.290 nan 0.000 0.496 1024 K N -0.688 119.748 120.400 0.060 0.000 2.026 1024 K HA -0.065 4.233 4.320 -0.036 0.000 0.208 1024 K C 2.598 179.272 176.600 0.124 0.000 1.048 1024 K CA 1.842 58.175 56.287 0.076 0.000 0.929 1024 K CB -0.217 32.315 32.500 0.053 0.000 0.713 1024 K HN 0.365 nan 8.250 nan 0.000 0.439 1025 T N 0.802 115.442 114.554 0.143 0.000 2.777 1025 T HA -0.103 4.226 4.350 -0.036 0.000 0.266 1025 T C 1.937 176.608 174.700 -0.049 0.000 1.040 1025 T CA 1.726 63.886 62.100 0.100 0.000 1.141 1025 T CB -0.344 68.569 68.868 0.076 0.000 0.868 1025 T HN 0.276 nan 8.240 nan 0.000 0.444 1026 T N 2.597 117.128 114.554 -0.037 0.000 2.746 1026 T HA -0.044 4.285 4.350 -0.036 0.000 0.267 1026 T C 1.899 176.532 174.700 -0.111 0.000 1.039 1026 T CA 0.861 62.918 62.100 -0.072 0.000 1.142 1026 T CB -0.476 68.364 68.868 -0.047 0.000 0.866 1026 T HN 0.144 nan 8.240 nan 0.000 0.444 1027 L N 1.312 122.466 121.223 -0.114 0.000 2.046 1027 L HA -0.069 4.250 4.340 -0.036 0.000 0.208 1027 L C 2.395 179.115 176.870 -0.250 0.000 1.077 1027 L CA 1.853 56.554 54.840 -0.232 0.000 0.747 1027 L CB -1.255 40.631 42.059 -0.289 0.000 0.896 1027 L HN 0.165 nan 8.230 nan 0.000 0.432 1028 T N -0.097 114.346 114.554 -0.185 0.000 2.777 1028 T HA -0.096 4.233 4.350 -0.036 0.000 0.266 1028 T C 1.929 176.448 174.700 -0.302 0.000 1.040 1028 T CA 1.252 63.184 62.100 -0.279 0.000 1.141 1028 T CB -0.554 68.147 68.868 -0.279 0.000 0.868 1028 T HN 0.521 nan 8.240 nan 0.000 0.444 1029 A N 1.567 124.238 122.820 -0.249 0.000 1.902 1029 A HA 0.164 4.463 4.320 -0.036 0.000 0.217 1029 A C 2.661 180.132 177.584 -0.188 0.000 1.181 1029 A CA 1.785 53.694 52.037 -0.212 0.000 0.623 1029 A CB -1.123 17.771 19.000 -0.176 0.000 0.818 1029 A HN 0.502 nan 8.150 nan 0.000 0.443 1030 A N -0.081 122.628 122.820 -0.185 0.000 1.933 1030 A HA -0.094 4.205 4.320 -0.036 0.000 0.218 1030 A C 2.115 179.572 177.584 -0.211 0.000 1.175 1030 A CA 1.547 53.484 52.037 -0.167 0.000 0.628 1030 A CB -0.594 18.315 19.000 -0.151 0.000 0.814 1030 A HN 0.518 nan 8.150 nan 0.000 0.444 1031 I N 0.175 120.560 120.570 -0.308 0.000 2.163 1031 I HA -0.246 3.903 4.170 -0.036 0.000 0.240 1031 I C 2.930 178.803 176.117 -0.408 0.000 1.081 1031 I CA 1.886 62.929 61.300 -0.427 0.000 1.353 1031 I CB -0.780 36.818 38.000 -0.671 0.000 1.054 1031 I HN 0.540 nan 8.210 nan 0.000 0.407 1032 T N -2.184 112.158 114.554 -0.353 0.000 2.720 1032 T HA -0.185 4.144 4.350 -0.036 0.000 0.268 1032 T C 1.826 176.463 174.700 -0.106 0.000 1.037 1032 T CA 2.032 64.027 62.100 -0.174 0.000 1.144 1032 T CB -0.936 67.873 68.868 -0.098 0.000 0.864 1032 T HN 0.235 nan 8.240 nan 0.000 0.444 1033 T N 1.743 116.223 114.554 -0.122 0.000 2.668 1033 T HA -0.023 4.305 4.350 -0.036 0.000 0.262 1033 T C 2.194 176.846 174.700 -0.080 0.000 1.045 1033 T CA 1.402 63.450 62.100 -0.086 0.000 1.152 1033 T CB -0.634 68.183 68.868 -0.085 0.000 0.864 1033 T HN 0.258 nan 8.240 nan 0.000 0.419 1034 V N 1.867 121.722 119.914 -0.098 0.000 2.343 1034 V HA -0.118 3.981 4.120 -0.036 0.000 0.247 1034 V C 2.539 178.569 176.094 -0.106 0.000 1.051 1034 V CA 1.457 63.700 62.300 -0.095 0.000 1.036 1034 V CB -0.753 31.018 31.823 -0.086 0.000 0.654 1034 V HN 0.435 nan 8.190 nan 0.000 0.451 1035 L N -0.079 121.104 121.223 -0.067 0.000 2.093 1035 L HA -0.132 4.187 4.340 -0.036 0.000 0.208 1035 L C 2.776 179.680 176.870 0.057 0.000 1.085 1035 L CA 1.565 56.434 54.840 0.048 0.000 0.755 1035 L CB -0.958 41.195 42.059 0.156 0.000 0.904 1035 L HN 0.387 nan 8.230 nan 0.000 0.435 1036 A N 0.500 123.339 122.820 0.031 0.000 1.858 1036 A HA -0.264 4.035 4.320 -0.036 0.000 0.216 1036 A C 2.401 179.979 177.584 -0.011 0.000 1.190 1036 A CA 1.981 54.040 52.037 0.038 0.000 0.617 1036 A CB -0.509 18.505 19.000 0.023 0.000 0.827 1036 A HN 0.314 nan 8.150 nan 0.000 0.443 1037 K N -1.182 119.187 120.400 -0.052 0.000 2.152 1037 K HA -0.149 4.150 4.320 -0.036 0.000 0.206 1037 K C 1.546 178.070 176.600 -0.127 0.000 1.048 1037 K CA 1.897 58.139 56.287 -0.075 0.000 0.933 1037 K CB -0.133 32.320 32.500 -0.079 0.000 0.721 1037 K HN 0.501 nan 8.250 nan 0.000 0.447 1038 T N -1.177 113.239 114.554 -0.230 0.000 3.042 1038 T HA 0.051 4.380 4.350 -0.036 0.000 0.245 1038 T C 0.427 174.842 174.700 -0.474 0.000 1.029 1038 T CA 0.473 62.297 62.100 -0.460 0.000 1.120 1038 T CB 0.073 68.455 68.868 -0.809 0.000 0.917 1038 T HN 0.190 nan 8.240 nan 0.000 0.467 1039 Y N 0.639 120.956 120.300 0.028 0.000 2.527 1039 Y HA 0.506 5.035 4.550 -0.035 0.000 0.247 1039 Y C 1.213 177.141 175.900 0.046 0.000 1.138 1039 Y CA -1.091 57.034 58.100 0.041 0.000 1.228 1039 Y CB 0.205 38.701 38.460 0.061 0.000 1.252 1039 Y HN 0.205 nan 8.280 nan 0.000 0.531 1040 G N 1.200 110.082 108.800 0.138 0.000 2.920 1040 G HA2 0.278 4.217 3.960 -0.036 0.000 0.210 1040 G HA3 0.278 4.217 3.960 -0.036 0.000 0.210 1040 G C 0.530 175.507 174.900 0.128 0.000 0.806 1040 G CA 0.327 45.489 45.100 0.103 0.000 0.853 1040 G HN 1.120 nan 8.290 nan 0.000 0.333 1065 S N 4.084 119.900 115.700 0.192 0.000 2.423 1065 S HA 0.324 4.773 4.470 -0.036 0.000 0.302 1065 S C 0.201 175.008 174.600 0.344 0.000 1.143 1065 S CA -0.354 57.983 58.200 0.229 0.000 1.080 1065 S CB -0.253 63.062 63.200 0.192 0.000 1.081 1065 S HN 0.690 nan 8.310 nan 0.000 0.522 1066 H N 1.808 120.991 119.070 0.188 0.000 2.907 1066 H HA 0.753 5.288 4.556 -0.035 0.000 0.361 1066 H C -1.432 174.004 175.328 0.180 0.000 1.194 1066 H CA -1.020 55.169 56.048 0.235 0.000 1.152 1066 H CB 0.880 30.749 29.762 0.179 0.000 1.867 1066 H HN 0.310 nan 8.280 nan 0.000 0.561 1067 V N 0.698 120.688 119.914 0.126 0.000 2.864 1067 V HA 0.337 4.435 4.120 -0.036 0.000 0.314 1067 V C -0.343 175.790 176.094 0.065 0.000 1.073 1067 V CA -0.714 61.584 62.300 -0.003 0.000 0.956 1067 V CB 2.062 33.893 31.823 0.014 0.000 1.023 1067 V HN 0.821 nan 8.190 nan 0.000 0.435 1068 E N 2.117 122.335 120.200 0.030 0.000 2.288 1068 E HA 0.712 5.041 4.350 -0.036 0.000 0.268 1068 E C -1.999 174.660 176.600 0.098 0.000 0.885 1068 E CA -0.571 55.821 56.400 -0.014 0.000 0.767 1068 E CB 2.725 32.492 29.700 0.112 0.000 1.220 1068 E HN 0.684 nan 8.360 nan 0.000 0.427 1069 Y N -1.293 119.035 120.300 0.046 0.000 2.624 1069 Y HA 0.590 5.118 4.550 -0.036 0.000 0.334 1069 Y C -1.545 174.450 175.900 0.158 0.000 1.155 1069 Y CA -1.305 56.852 58.100 0.095 0.000 1.046 1069 Y CB 1.256 39.752 38.460 0.060 0.000 1.316 1069 Y HN 0.236 nan 8.280 nan 0.000 0.457 1070 D N 0.780 121.411 120.400 0.384 0.000 2.457 1070 D HA 0.599 5.217 4.640 -0.036 0.000 0.240 1070 D C -0.552 175.913 176.300 0.275 0.000 1.041 1070 D CA -0.452 53.732 54.000 0.306 0.000 0.861 1070 D CB 2.232 43.172 40.800 0.235 0.000 1.394 1070 D HN 0.811 nan 8.370 nan 0.000 0.473 1071 T N -1.804 112.843 114.554 0.156 0.000 2.922 1071 T HA 0.468 4.796 4.350 -0.036 0.000 0.281 1071 T C -1.931 172.612 174.700 -0.262 0.000 1.005 1071 T CA -1.831 60.148 62.100 -0.201 0.000 0.982 1071 T CB 1.424 70.240 68.868 -0.086 0.000 1.158 1071 T HN -0.035 nan 8.240 nan 0.000 0.566 1072 P HA -0.080 nan 4.420 nan 0.000 0.216 1072 P C 1.477 178.716 177.300 -0.103 0.000 1.150 1072 P CA 1.629 64.597 63.100 -0.220 0.000 0.843 1072 P CB -0.189 31.383 31.700 -0.214 0.000 0.787 1073 T N -5.777 108.719 114.554 -0.096 0.000 3.023 1073 T HA 0.273 4.601 4.350 -0.036 0.000 0.253 1073 T C 0.707 175.367 174.700 -0.067 0.000 1.038 1073 T CA -0.209 61.856 62.100 -0.058 0.000 0.962 1073 T CB 0.259 69.099 68.868 -0.046 0.000 1.018 1073 T HN -0.031 nan 8.240 nan 0.000 0.521 1074 R N 0.281 120.733 120.500 -0.079 0.000 2.698 1074 R HA 0.490 4.809 4.340 -0.036 0.000 0.275 1074 R C -1.852 174.331 176.300 -0.193 0.000 1.001 1074 R CA -0.833 55.141 56.100 -0.210 0.000 0.896 1074 R CB 1.519 31.545 30.300 -0.457 0.000 1.218 1074 R HN 0.315 nan 8.270 nan 0.000 0.462 1075 H N 1.478 120.331 119.070 -0.361 0.000 2.488 1075 H HA 0.352 4.887 4.556 -0.035 0.000 0.322 1075 H C -1.388 173.560 175.328 -0.633 0.000 1.078 1075 H CA -0.215 55.645 56.048 -0.314 0.000 1.260 1075 H CB 0.523 30.189 29.762 -0.159 0.000 1.425 1075 H HN 0.390 nan 8.280 nan 0.000 0.471 1076 Y N 2.884 122.646 120.300 -0.896 0.000 2.377 1076 Y HA 0.593 5.120 4.550 -0.037 0.000 0.339 1076 Y C -0.070 175.251 175.900 -0.965 0.000 1.011 1076 Y CA -0.708 56.865 58.100 -0.878 0.000 1.093 1076 Y CB 1.868 39.845 38.460 -0.805 0.000 1.201 1076 Y HN 0.818 nan 8.280 nan 0.000 0.455 1077 A N 2.631 125.172 122.820 -0.465 0.000 2.318 1077 A HA 0.580 4.879 4.320 -0.036 0.000 0.324 1077 A C -1.667 175.948 177.584 0.052 0.000 1.170 1077 A CA -0.567 51.416 52.037 -0.090 0.000 0.810 1077 A CB 0.412 19.463 19.000 0.086 0.000 1.198 1077 A HN 0.942 nan 8.150 nan 0.000 0.484 1078 H N 1.256 120.374 119.070 0.079 0.000 2.658 1078 H HA 0.593 5.129 4.556 -0.033 0.000 0.337 1078 H C -0.741 174.743 175.328 0.260 0.000 1.009 1078 H CA -0.744 55.395 56.048 0.152 0.000 1.231 1078 H CB 1.450 31.351 29.762 0.232 0.000 1.508 1078 H HN 0.714 nan 8.280 nan 0.000 0.517 1079 V N 1.645 121.755 119.914 0.327 0.000 3.019 1079 V HA 0.492 4.590 4.120 -0.036 0.000 0.317 1079 V C -0.344 175.722 176.094 -0.046 0.000 1.094 1079 V CA -0.987 61.449 62.300 0.226 0.000 1.000 1079 V CB 1.989 33.891 31.823 0.130 0.000 1.060 1079 V HN 0.774 nan 8.190 nan 0.000 0.443 1080 D N 0.491 120.601 120.400 -0.484 0.000 2.229 1080 D HA 0.570 5.189 4.640 -0.036 0.000 0.249 1080 D C -0.662 175.473 176.300 -0.276 0.000 1.027 1080 D CA -0.291 53.334 54.000 -0.625 0.000 0.923 1080 D CB 1.570 41.571 40.800 -1.332 0.000 1.174 1080 D HN 0.847 nan 8.370 nan 0.000 0.443 1081 C N 5.129 124.304 119.300 -0.207 0.000 3.094 1081 C HA 0.309 4.748 4.460 -0.036 0.000 0.262 1081 C C -1.275 173.753 174.990 0.062 0.000 1.459 1081 C CA -0.953 58.019 59.018 -0.076 0.000 1.570 1081 C CB 0.129 27.736 27.740 -0.223 0.000 2.056 1081 C HN 0.563 nan 8.230 nan 0.000 0.499 1082 P HA 0.053 nan 4.420 nan 0.000 0.223 1082 P C 0.654 178.132 177.300 0.297 0.000 1.151 1082 P CA 1.327 64.513 63.100 0.143 0.000 0.787 1082 P CB 0.529 32.251 31.700 0.037 0.000 0.788 1083 G N -1.126 107.769 108.800 0.159 0.000 2.662 1083 G HA2 0.229 4.168 3.960 -0.036 0.000 0.302 1083 G HA3 0.229 4.168 3.960 -0.036 0.000 0.302 1083 G C 0.127 174.912 174.900 -0.191 0.000 1.389 1083 G CA -0.227 44.810 45.100 -0.105 0.000 0.998 1083 G HN -0.052 nan 8.290 nan 0.000 0.502 1084 H N 2.733 121.369 119.070 -0.723 0.000 2.256 1084 H HA -0.114 4.418 4.556 -0.039 0.000 0.299 1084 H C 2.589 177.835 175.328 -0.137 0.000 1.071 1084 H CA 2.276 58.057 56.048 -0.444 0.000 1.280 1084 H CB -0.055 29.338 29.762 -0.615 0.000 1.370 1084 H HN 0.513 nan 8.280 nan 0.000 0.490 1085 A N 0.849 123.728 122.820 0.099 0.000 1.940 1085 A HA -0.176 4.123 4.320 -0.036 0.000 0.219 1085 A C 2.238 179.823 177.584 0.002 0.000 1.176 1085 A CA 1.833 53.924 52.037 0.090 0.000 0.631 1085 A CB -0.423 18.602 19.000 0.041 0.000 0.814 1085 A HN 0.465 nan 8.150 nan 0.000 0.446 1086 D N -1.861 118.526 120.400 -0.021 0.000 2.117 1086 D HA -0.137 4.481 4.640 -0.036 0.000 0.198 1086 D C 1.687 177.955 176.300 -0.053 0.000 0.982 1086 D CA 1.398 55.372 54.000 -0.044 0.000 0.828 1086 D CB -0.366 40.420 40.800 -0.023 0.000 0.967 1086 D HN 0.581 nan 8.370 nan 0.000 0.464 1087 Y N 1.203 121.441 120.300 -0.104 0.000 2.181 1087 Y HA -0.193 4.333 4.550 -0.039 0.000 0.288 1087 Y C 2.236 178.065 175.900 -0.117 0.000 1.146 1087 Y CA 1.039 59.078 58.100 -0.103 0.000 1.164 1087 Y CB -0.322 38.088 38.460 -0.083 0.000 0.982 1087 Y HN -0.218 nan 8.280 nan 0.000 0.515 1088 V N 1.225 121.081 119.914 -0.097 0.000 2.332 1088 V HA -0.361 3.738 4.120 -0.036 0.000 0.248 1088 V C 2.467 178.447 176.094 -0.190 0.000 1.055 1088 V CA 2.432 64.657 62.300 -0.125 0.000 1.038 1088 V CB -0.727 31.080 31.823 -0.027 0.000 0.651 1088 V HN 0.432 nan 8.190 nan 0.000 0.450 1089 K N 0.106 120.385 120.400 -0.201 0.000 2.057 1089 K HA -0.221 4.077 4.320 -0.036 0.000 0.207 1089 K C 1.974 178.341 176.600 -0.388 0.000 1.049 1089 K CA 1.940 58.031 56.287 -0.326 0.000 0.931 1089 K CB -0.238 31.991 32.500 -0.452 0.000 0.714 1089 K HN 0.417 nan 8.250 nan 0.000 0.440 1090 N N 0.919 119.392 118.700 -0.378 0.000 2.120 1090 N HA -0.179 4.540 4.740 -0.036 0.000 0.188 1090 N C 1.689 176.972 175.510 -0.378 0.000 1.024 1090 N CA 1.280 54.113 53.050 -0.361 0.000 0.852 1090 N CB -0.283 38.002 38.487 -0.337 0.000 1.003 1090 N HN 0.289 nan 8.380 nan 0.000 0.424 1091 M N 0.677 119.972 119.600 -0.508 0.000 2.086 1091 M HA -0.060 4.398 4.480 -0.036 0.000 0.261 1091 M C 1.792 177.958 176.300 -0.223 0.000 1.067 1091 M CA 1.257 56.317 55.300 -0.399 0.000 1.116 1091 M CB -0.484 31.851 32.600 -0.442 0.000 1.348 1091 M HN 0.061 nan 8.290 nan 0.000 0.407 1092 I N 0.223 120.676 120.570 -0.194 0.000 2.226 1092 I HA -0.292 3.857 4.170 -0.036 0.000 0.245 1092 I C 2.197 178.232 176.117 -0.136 0.000 1.100 1092 I CA 1.928 63.152 61.300 -0.126 0.000 1.374 1092 I CB -0.613 37.351 38.000 -0.061 0.000 1.057 1092 I HN 0.417 nan 8.210 nan 0.000 0.413 1093 T N -1.925 112.533 114.554 -0.159 0.000 3.085 1093 T HA 0.132 4.460 4.350 -0.036 0.000 0.263 1093 T C 1.614 176.240 174.700 -0.123 0.000 1.127 1093 T CA 0.599 62.620 62.100 -0.131 0.000 1.103 1093 T CB 0.069 68.843 68.868 -0.157 0.000 0.921 1093 T HN 0.577 nan 8.240 nan 0.000 0.510 1094 G N 0.746 109.464 108.800 -0.137 0.000 2.159 1094 G HA2 -0.203 3.735 3.960 -0.036 0.000 0.256 1094 G HA3 -0.203 3.735 3.960 -0.036 0.000 0.256 1094 G C 1.083 175.915 174.900 -0.113 0.000 0.977 1094 G CA 0.189 45.221 45.100 -0.113 0.000 0.652 1094 G HN 1.090 nan 8.290 nan 0.000 0.531 1095 A N -0.791 121.948 122.820 -0.135 0.000 2.067 1095 A HA 0.647 4.945 4.320 -0.036 0.000 0.219 1095 A C 1.480 178.992 177.584 -0.119 0.000 1.158 1095 A CA 2.151 54.117 52.037 -0.120 0.000 0.661 1095 A CB -0.095 18.828 19.000 -0.128 0.000 0.801 1095 A HN 2.292 nan 8.150 nan 0.000 0.452 1096 A N -1.608 121.121 122.820 -0.153 0.000 2.572 1096 A HA 0.718 5.017 4.320 -0.036 0.000 0.295 1096 A C -0.714 176.794 177.584 -0.127 0.000 1.072 1096 A CA -0.324 51.638 52.037 -0.126 0.000 0.691 1096 A CB 1.169 20.084 19.000 -0.143 0.000 1.291 1096 A HN 0.323 nan 8.150 nan 0.000 0.404 1097 Q N 1.852 121.644 119.800 -0.014 0.000 2.842 1097 Q HA 0.313 4.632 4.340 -0.036 0.000 0.215 1097 Q C -1.600 174.468 176.000 0.113 0.000 0.764 1097 Q CA -0.113 55.713 55.803 0.038 0.000 0.994 1097 Q CB 0.762 29.502 28.738 0.002 0.000 1.554 1097 Q HN 0.851 nan 8.270 nan 0.000 0.475 1098 M N 3.109 122.829 119.600 0.200 0.000 2.219 1098 M HA 0.086 4.545 4.480 -0.036 0.000 0.353 1098 M C 0.188 176.566 176.300 0.131 0.000 1.304 1098 M CA 0.366 55.755 55.300 0.150 0.000 1.115 1098 M CB 0.569 33.243 32.600 0.123 0.000 1.664 1098 M HN 0.545 nan 8.290 nan 0.000 0.459 1099 D N 1.704 122.176 120.400 0.120 0.000 2.271 1099 D HA 0.158 4.776 4.640 -0.036 0.000 0.206 1099 D C 0.769 177.179 176.300 0.184 0.000 0.967 1099 D CA 0.634 54.719 54.000 0.141 0.000 0.867 1099 D CB 0.548 41.417 40.800 0.114 0.000 0.960 1099 D HN 0.785 nan 8.370 nan 0.000 0.509 1100 G N -0.488 108.399 108.800 0.145 0.000 2.698 1100 G HA2 0.586 4.525 3.960 -0.036 0.000 0.293 1100 G HA3 0.586 4.525 3.960 -0.036 0.000 0.293 1100 G C -1.748 173.185 174.900 0.055 0.000 1.437 1100 G CA -0.326 44.867 45.100 0.155 0.000 0.852 1100 G HN 0.138 nan 8.290 nan 0.000 0.499 1101 A N 0.432 123.266 122.820 0.023 0.000 2.365 1101 A HA 0.828 5.126 4.320 -0.036 0.000 0.318 1101 A C -0.647 176.895 177.584 -0.070 0.000 1.091 1101 A CA -0.653 51.337 52.037 -0.078 0.000 0.763 1101 A CB 1.089 20.003 19.000 -0.144 0.000 1.248 1101 A HN 0.678 nan 8.150 nan 0.000 0.442 1102 I N 2.539 123.049 120.570 -0.100 0.000 2.328 1102 I HA 0.220 4.369 4.170 -0.036 0.000 0.287 1102 I C -0.601 175.466 176.117 -0.084 0.000 1.012 1102 I CA -0.546 60.718 61.300 -0.059 0.000 1.195 1102 I CB 1.363 39.344 38.000 -0.033 0.000 1.350 1102 I HN 0.566 nan 8.210 nan 0.000 0.464 1103 L N 9.016 130.189 121.223 -0.083 0.000 2.278 1103 L HA 0.382 4.701 4.340 -0.036 0.000 0.287 1103 L C -0.427 176.431 176.870 -0.020 0.000 1.072 1103 L CA 0.010 54.788 54.840 -0.103 0.000 0.819 1103 L CB 1.025 43.007 42.059 -0.129 0.000 1.176 1103 L HN 0.298 nan 8.230 nan 0.000 0.435 1104 V N 6.488 126.392 119.914 -0.017 0.000 2.350 1104 V HA 0.445 4.543 4.120 -0.036 0.000 0.276 1104 V C -0.140 176.028 176.094 0.123 0.000 1.028 1104 V CA -0.533 61.819 62.300 0.088 0.000 0.860 1104 V CB 1.291 33.169 31.823 0.092 0.000 0.990 1104 V HN 0.546 nan 8.190 nan 0.000 0.453 1105 V N 4.098 124.088 119.914 0.126 0.000 2.487 1105 V HA 0.677 4.776 4.120 -0.036 0.000 0.298 1105 V C 0.455 176.528 176.094 -0.035 0.000 1.028 1105 V CA -0.774 61.622 62.300 0.160 0.000 0.860 1105 V CB 1.929 33.798 31.823 0.077 0.000 0.991 1105 V HN 0.933 nan 8.190 nan 0.000 0.427 1106 A N 3.480 126.067 122.820 -0.388 0.000 2.404 1106 A HA 0.623 4.922 4.320 -0.036 0.000 0.273 1106 A C 1.373 178.761 177.584 -0.327 0.000 1.144 1106 A CA 0.339 52.066 52.037 -0.517 0.000 0.806 1106 A CB 0.657 19.090 19.000 -0.946 0.000 1.080 1106 A HN 1.382 nan 8.150 nan 0.000 0.509 1107 A N 2.524 125.223 122.820 -0.202 0.000 2.121 1107 A HA -0.035 4.264 4.320 -0.036 0.000 0.218 1107 A C 2.134 179.648 177.584 -0.117 0.000 1.154 1107 A CA 2.029 53.985 52.037 -0.136 0.000 0.679 1107 A CB -0.952 17.980 19.000 -0.114 0.000 0.795 1107 A HN 1.168 nan 8.150 nan 0.000 0.458 1108 T N -2.520 111.949 114.554 -0.141 0.000 2.881 1108 T HA -0.117 4.212 4.350 -0.036 0.000 0.270 1108 T C 1.132 175.785 174.700 -0.078 0.000 1.068 1108 T CA 1.606 63.645 62.100 -0.100 0.000 1.131 1108 T CB -0.192 68.617 68.868 -0.099 0.000 0.871 1108 T HN 0.393 nan 8.240 nan 0.000 0.479 1109 D N 0.772 121.110 120.400 -0.104 0.000 2.615 1109 D HA 0.393 5.011 4.640 -0.036 0.000 0.259 1109 D C 1.383 177.670 176.300 -0.022 0.000 0.999 1109 D CA 1.218 55.197 54.000 -0.036 0.000 0.938 1109 D CB -0.125 40.695 40.800 0.034 0.000 1.121 1109 D HN 0.660 nan 8.370 nan 0.000 0.487 1110 G N 0.916 109.694 108.800 -0.036 0.000 2.728 1110 G HA2 -0.157 3.781 3.960 -0.036 0.000 0.294 1110 G HA3 -0.157 3.781 3.960 -0.036 0.000 0.294 1110 G C -2.626 172.306 174.900 0.053 0.000 1.342 1110 G CA -1.006 44.092 45.100 -0.004 0.000 0.866 1110 G HN 0.001 nan 8.290 nan 0.000 0.534 1111 P HA 0.217 nan 4.420 nan 0.000 0.263 1111 P C 0.514 177.822 177.300 0.015 0.000 1.175 1111 P CA 0.302 63.428 63.100 0.042 0.000 0.761 1111 P CB 0.284 31.998 31.700 0.023 0.000 0.794 1112 M N 5.583 125.168 119.600 -0.025 0.000 2.245 1112 M HA 0.247 4.705 4.480 -0.036 0.000 0.292 1112 M C -1.388 174.862 176.300 -0.085 0.000 1.176 1112 M CA -2.534 52.703 55.300 -0.106 0.000 1.035 1112 M CB -0.589 31.846 32.600 -0.274 0.000 1.440 1112 M HN 0.126 nan 8.290 nan 0.000 0.494 1113 P HA -0.144 nan 4.420 nan 0.000 0.217 1113 P C 1.216 178.462 177.300 -0.089 0.000 1.150 1113 P CA 1.261 64.329 63.100 -0.054 0.000 0.832 1113 P CB -0.078 31.604 31.700 -0.031 0.000 0.787 1114 Q N -1.130 118.578 119.800 -0.153 0.000 2.488 1114 Q HA -0.026 4.292 4.340 -0.036 0.000 0.211 1114 Q C 1.271 176.988 176.000 -0.473 0.000 0.967 1114 Q CA 1.212 56.856 55.803 -0.266 0.000 0.926 1114 Q CB -1.634 26.941 28.738 -0.272 0.000 0.992 1114 Q HN 0.133 nan 8.270 nan 0.000 0.506 1115 T N 2.409 116.802 114.554 -0.268 0.000 2.803 1115 T HA -0.163 4.166 4.350 -0.036 0.000 0.269 1115 T C 1.777 176.372 174.700 -0.175 0.000 1.052 1115 T CA 1.831 63.841 62.100 -0.150 0.000 1.136 1115 T CB -0.155 68.706 68.868 -0.011 0.000 0.864 1115 T HN 0.637 nan 8.240 nan 0.000 0.467 1116 R N 1.207 121.616 120.500 -0.152 0.000 2.092 1116 R HA -0.037 4.282 4.340 -0.036 0.000 0.231 1116 R C 1.913 178.034 176.300 -0.299 0.000 1.119 1116 R CA 1.200 57.177 56.100 -0.205 0.000 0.970 1116 R CB -0.363 29.924 30.300 -0.021 0.000 0.864 1116 R HN 0.292 nan 8.270 nan 0.000 0.440 1117 E N 1.516 121.587 120.200 -0.216 0.000 2.077 1117 E HA -0.182 4.147 4.350 -0.036 0.000 0.193 1117 E C 1.967 178.544 176.600 -0.039 0.000 0.989 1117 E CA 1.572 57.922 56.400 -0.084 0.000 0.800 1117 E CB -0.586 29.121 29.700 0.012 0.000 0.746 1117 E HN 0.683 nan 8.360 nan 0.000 0.452 1118 H N 0.640 119.572 119.070 -0.229 0.000 2.319 1118 H HA -0.069 4.465 4.556 -0.037 0.000 0.297 1118 H C 2.341 177.526 175.328 -0.239 0.000 1.097 1118 H CA 1.321 57.118 56.048 -0.417 0.000 1.285 1118 H CB -0.121 29.340 29.762 -0.501 0.000 1.368 1118 H HN 0.079 nan 8.280 nan 0.000 0.495 1119 I N 0.055 120.544 120.570 -0.135 0.000 2.252 1119 I HA -0.212 3.936 4.170 -0.036 0.000 0.245 1119 I C 2.210 178.255 176.117 -0.120 0.000 1.102 1119 I CA 0.540 61.732 61.300 -0.180 0.000 1.385 1119 I CB -0.068 37.799 38.000 -0.222 0.000 1.064 1119 I HN 0.193 nan 8.210 nan 0.000 0.414 1120 L N 0.644 121.723 121.223 -0.240 0.000 2.131 1120 L HA -0.193 4.126 4.340 -0.036 0.000 0.210 1120 L C 2.215 179.145 176.870 0.100 0.000 1.092 1120 L CA 1.582 56.350 54.840 -0.119 0.000 0.759 1120 L CB -0.647 41.331 42.059 -0.136 0.000 0.903 1120 L HN 0.169 nan 8.230 nan 0.000 0.435 1121 L N -0.301 121.008 121.223 0.144 0.000 2.012 1121 L HA -0.062 4.256 4.340 -0.036 0.000 0.210 1121 L C 2.373 179.291 176.870 0.081 0.000 1.073 1121 L CA 2.199 57.114 54.840 0.126 0.000 0.748 1121 L CB -1.509 40.643 42.059 0.155 0.000 0.891 1121 L HN 0.281 nan 8.230 nan 0.000 0.431 1122 G N -0.862 107.981 108.800 0.071 0.000 2.476 1122 G HA2 -0.407 3.532 3.960 -0.036 0.000 0.218 1122 G HA3 -0.407 3.532 3.960 -0.036 0.000 0.218 1122 G C 1.757 176.835 174.900 0.297 0.000 1.164 1122 G CA 1.060 46.243 45.100 0.140 0.000 0.768 1122 G HN 0.420 nan 8.290 nan 0.000 0.560 1123 R N 0.450 121.153 120.500 0.338 0.000 2.083 1123 R HA -0.051 4.268 4.340 -0.036 0.000 0.237 1123 R C 2.724 179.101 176.300 0.128 0.000 1.137 1123 R CA 2.054 58.274 56.100 0.200 0.000 0.951 1123 R CB -0.558 29.849 30.300 0.179 0.000 0.851 1123 R HN 0.513 nan 8.270 nan 0.000 0.434 1124 Q N -0.469 119.415 119.800 0.140 0.000 2.084 1124 Q HA -0.087 4.232 4.340 -0.036 0.000 0.202 1124 Q C 1.775 177.839 176.000 0.106 0.000 0.978 1124 Q CA 1.824 57.700 55.803 0.123 0.000 0.844 1124 Q CB 0.015 28.845 28.738 0.154 0.000 0.898 1124 Q HN 0.439 nan 8.270 nan 0.000 0.426 1125 V N -2.625 117.359 119.914 0.117 0.000 3.646 1125 V HA 0.333 4.432 4.120 -0.036 0.000 0.277 1125 V C 0.887 177.051 176.094 0.116 0.000 1.274 1125 V CA 0.438 62.814 62.300 0.126 0.000 1.164 1125 V CB -0.787 31.163 31.823 0.212 0.000 0.926 1125 V HN 0.382 nan 8.190 nan 0.000 0.442 1126 G N 1.001 109.862 108.800 0.102 0.000 2.371 1126 G HA2 -0.198 3.741 3.960 -0.036 0.000 0.299 1126 G HA3 -0.198 3.741 3.960 -0.036 0.000 0.299 1126 G C -0.032 174.926 174.900 0.098 0.000 1.014 1126 G CA 0.330 45.475 45.100 0.075 0.000 1.097 1126 G HN 0.953 nan 8.290 nan 0.000 0.512 1127 V N 0.666 120.674 119.914 0.156 0.000 2.479 1127 V HA 0.128 4.227 4.120 -0.036 0.000 0.281 1127 V C -0.006 176.185 176.094 0.162 0.000 1.031 1127 V CA -0.456 61.940 62.300 0.161 0.000 1.038 1127 V CB 1.077 32.988 31.823 0.147 0.000 0.981 1127 V HN 0.311 nan 8.190 nan 0.000 0.478 1128 P HA -0.020 nan 4.420 nan 0.000 0.217 1128 P C -0.418 176.603 177.300 -0.465 0.000 1.151 1128 P CA 1.194 64.146 63.100 -0.246 0.000 0.828 1128 P CB 0.127 31.711 31.700 -0.193 0.000 0.788 1129 Y N -1.462 118.946 120.300 0.179 0.000 2.457 1129 Y HA 0.502 5.041 4.550 -0.018 0.000 0.343 1129 Y C 0.075 176.062 175.900 0.145 0.000 0.994 1129 Y CA -1.021 57.195 58.100 0.194 0.000 1.031 1129 Y CB 1.735 40.230 38.460 0.058 0.000 1.246 1129 Y HN -0.312 nan 8.280 nan 0.000 0.449 1130 I N 4.601 125.317 120.570 0.242 0.000 2.465 1130 I HA 0.477 4.625 4.170 -0.036 0.000 0.291 1130 I C -0.777 175.368 176.117 0.046 0.000 1.014 1130 I CA -0.650 60.648 61.300 -0.004 0.000 1.093 1130 I CB 1.747 39.520 38.000 -0.378 0.000 1.267 1130 I HN 0.483 nan 8.210 nan 0.000 0.431 1131 I N 5.996 126.567 120.570 0.001 0.000 2.493 1131 I HA 0.407 4.555 4.170 -0.036 0.000 0.298 1131 I C -0.517 175.553 176.117 -0.078 0.000 0.998 1131 I CA -0.955 60.291 61.300 -0.089 0.000 1.137 1131 I CB 2.241 40.225 38.000 -0.026 0.000 1.310 1131 I HN 0.162 nan 8.210 nan 0.000 0.445 1132 V N 5.793 125.642 119.914 -0.109 0.000 2.427 1132 V HA 0.280 4.378 4.120 -0.036 0.000 0.286 1132 V C -0.653 175.463 176.094 0.037 0.000 1.034 1132 V CA -0.559 61.712 62.300 -0.049 0.000 0.893 1132 V CB 1.465 33.235 31.823 -0.089 0.000 0.982 1132 V HN 0.412 nan 8.190 nan 0.000 0.452 1133 F N 5.677 125.596 119.950 -0.051 0.000 2.361 1133 F HA 0.531 5.036 4.527 -0.037 0.000 0.364 1133 F C -0.041 175.746 175.800 -0.022 0.000 1.117 1133 F CA -0.644 57.344 58.000 -0.020 0.000 1.071 1133 F CB 0.848 39.846 39.000 -0.002 0.000 1.188 1133 F HN 0.314 nan 8.300 nan 0.000 0.464 1134 L N 6.096 127.074 121.223 -0.409 0.000 2.342 1134 L HA 0.181 4.500 4.340 -0.036 0.000 0.285 1134 L C 0.156 176.742 176.870 -0.473 0.000 1.095 1134 L CA -0.245 54.404 54.840 -0.319 0.000 0.843 1134 L CB 0.038 41.953 42.059 -0.241 0.000 1.201 1134 L HN 0.604 nan 8.230 nan 0.000 0.445 1135 N N 2.900 121.487 118.700 -0.188 0.000 2.413 1135 N HA 0.181 4.900 4.740 -0.036 0.000 0.266 1135 N C 0.064 175.487 175.510 -0.145 0.000 1.238 1135 N CA -0.348 52.664 53.050 -0.063 0.000 0.972 1135 N CB 0.725 39.299 38.487 0.145 0.000 1.210 1135 N HN 0.360 nan 8.380 nan 0.000 0.547 1136 K N -0.451 119.862 120.400 -0.145 0.000 3.069 1136 K HA -0.208 4.091 4.320 -0.036 0.000 0.267 1136 K C 0.459 176.932 176.600 -0.211 0.000 1.082 1136 K CA 0.300 56.472 56.287 -0.192 0.000 0.782 1136 K CB -2.101 30.308 32.500 -0.151 0.000 1.230 1136 K HN 0.445 nan 8.250 nan 0.000 0.488 1137 C N 1.189 120.340 119.300 -0.248 0.000 2.456 1137 C HA -0.084 4.355 4.460 -0.036 0.000 0.279 1137 C C 2.313 177.241 174.990 -0.103 0.000 1.427 1137 C CA 0.944 59.882 59.018 -0.134 0.000 1.778 1137 C CB -0.653 27.085 27.740 -0.004 0.000 1.842 1137 C HN 0.671 nan 8.230 nan 0.000 0.531 1138 D N 0.184 120.372 120.400 -0.354 0.000 2.269 1138 D HA -0.103 4.515 4.640 -0.036 0.000 0.208 1138 D C 1.537 177.785 176.300 -0.087 0.000 0.963 1138 D CA 0.930 54.807 54.000 -0.206 0.000 0.864 1138 D CB -0.372 40.139 40.800 -0.483 0.000 0.936 1138 D HN 0.292 nan 8.370 nan 0.000 0.505 1139 M N 0.930 120.459 119.600 -0.117 0.000 2.568 1139 M HA 0.166 4.625 4.480 -0.036 0.000 0.226 1139 M C -0.131 176.143 176.300 -0.044 0.000 1.148 1139 M CA -0.139 55.117 55.300 -0.072 0.000 1.007 1139 M CB 0.353 32.901 32.600 -0.085 0.000 1.651 1139 M HN -0.194 nan 8.290 nan 0.000 0.488 1140 V N 1.616 121.513 119.914 -0.028 0.000 2.409 1140 V HA 0.152 4.250 4.120 -0.036 0.000 0.291 1140 V C 0.441 176.542 176.094 0.012 0.000 1.020 1140 V CA -0.768 61.524 62.300 -0.013 0.000 0.848 1140 V CB 1.642 33.453 31.823 -0.020 0.000 0.990 1140 V HN 0.285 nan 8.190 nan 0.000 0.430 1141 D N 2.615 123.019 120.400 0.008 0.000 2.165 1141 D HA -0.062 4.557 4.640 -0.036 0.000 0.213 1141 D C 0.776 177.084 176.300 0.014 0.000 0.983 1141 D CA 0.344 54.353 54.000 0.015 0.000 0.881 1141 D CB -0.256 40.549 40.800 0.009 0.000 1.028 1141 D HN 0.467 nan 8.370 nan 0.000 0.457 1142 D N 0.614 121.018 120.400 0.006 0.000 2.401 1142 D HA -0.043 4.576 4.640 -0.036 0.000 0.254 1142 D C 0.948 177.250 176.300 0.003 0.000 1.192 1142 D CA 0.056 54.058 54.000 0.004 0.000 0.885 1142 D CB 0.900 41.700 40.800 -0.000 0.000 1.147 1142 D HN 0.082 nan 8.370 nan 0.000 0.478 1143 E N 3.368 123.571 120.200 0.004 0.000 2.204 1143 E HA -0.192 4.137 4.350 -0.036 0.000 0.194 1143 E C 1.182 177.780 176.600 -0.003 0.000 0.989 1143 E CA 0.701 57.103 56.400 0.003 0.000 0.824 1143 E CB 0.220 29.921 29.700 0.002 0.000 0.756 1143 E HN 0.713 nan 8.360 nan 0.000 0.477 1144 E N 0.059 120.257 120.200 -0.004 0.000 2.268 1144 E HA -0.101 4.228 4.350 -0.036 0.000 0.195 1144 E C 2.222 178.817 176.600 -0.007 0.000 0.995 1144 E CA 0.265 56.661 56.400 -0.005 0.000 0.836 1144 E CB 0.076 29.774 29.700 -0.004 0.000 0.763 1144 E HN 0.279 nan 8.360 nan 0.000 0.491 1145 L N 0.366 121.584 121.223 -0.008 0.000 2.109 1145 L HA -0.143 4.176 4.340 -0.036 0.000 0.207 1145 L C 2.401 179.261 176.870 -0.017 0.000 1.086 1145 L CA 0.571 55.404 54.840 -0.011 0.000 0.760 1145 L CB -0.305 41.747 42.059 -0.012 0.000 0.910 1145 L HN 0.241 nan 8.230 nan 0.000 0.437 1146 L N -0.192 121.021 121.223 -0.017 0.000 2.083 1146 L HA -0.214 4.104 4.340 -0.036 0.000 0.209 1146 L C 2.609 179.464 176.870 -0.025 0.000 1.083 1146 L CA 1.107 55.932 54.840 -0.024 0.000 0.752 1146 L CB -0.400 41.648 42.059 -0.018 0.000 0.899 1146 L HN 0.265 nan 8.230 nan 0.000 0.433 1147 E N 0.347 120.536 120.200 -0.018 0.000 2.150 1147 E HA -0.203 4.126 4.350 -0.036 0.000 0.193 1147 E C 2.013 178.604 176.600 -0.015 0.000 0.985 1147 E CA 0.942 57.332 56.400 -0.017 0.000 0.814 1147 E CB -0.083 29.610 29.700 -0.012 0.000 0.752 1147 E HN 0.134 nan 8.360 nan 0.000 0.466 1148 L N -0.322 120.893 121.223 -0.014 0.000 2.017 1148 L HA -0.109 4.210 4.340 -0.036 0.000 0.208 1148 L C 2.349 179.211 176.870 -0.013 0.000 1.073 1148 L CA 1.222 56.055 54.840 -0.011 0.000 0.745 1148 L CB -0.899 41.155 42.059 -0.009 0.000 0.894 1148 L HN 0.106 nan 8.230 nan 0.000 0.432 1149 V N -0.695 119.207 119.914 -0.020 0.000 2.295 1149 V HA -0.275 3.823 4.120 -0.036 0.000 0.246 1149 V C 2.501 178.581 176.094 -0.025 0.000 1.049 1149 V CA 1.567 63.853 62.300 -0.023 0.000 1.024 1149 V CB -0.485 31.316 31.823 -0.037 0.000 0.648 1149 V HN 0.465 nan 8.190 nan 0.000 0.447 1150 E N -0.558 119.623 120.200 -0.032 0.000 2.086 1150 E HA -0.277 4.052 4.350 -0.036 0.000 0.200 1150 E C 2.281 178.867 176.600 -0.023 0.000 1.012 1150 E CA 1.651 58.029 56.400 -0.036 0.000 0.812 1150 E CB -0.183 29.494 29.700 -0.039 0.000 0.743 1150 E HN 0.378 nan 8.360 nan 0.000 0.453 1151 M N 0.326 119.917 119.600 -0.015 0.000 2.175 1151 M HA -0.119 4.339 4.480 -0.036 0.000 0.264 1151 M C 1.938 178.239 176.300 0.003 0.000 1.063 1151 M CA 1.325 56.622 55.300 -0.006 0.000 1.119 1151 M CB -0.787 31.811 32.600 -0.003 0.000 1.377 1151 M HN 0.102 nan 8.290 nan 0.000 0.415 1152 E N -0.308 119.893 120.200 0.002 0.000 2.058 1152 E HA -0.165 4.163 4.350 -0.036 0.000 0.194 1152 E C 2.081 178.692 176.600 0.019 0.000 0.997 1152 E CA 1.377 57.784 56.400 0.011 0.000 0.801 1152 E CB -0.008 29.697 29.700 0.008 0.000 0.746 1152 E HN 0.248 nan 8.360 nan 0.000 0.450 1153 V N 1.090 121.008 119.914 0.007 0.000 2.295 1153 V HA -0.265 3.833 4.120 -0.036 0.000 0.246 1153 V C 2.243 178.348 176.094 0.018 0.000 1.049 1153 V CA 1.779 64.084 62.300 0.008 0.000 1.024 1153 V CB -0.484 31.329 31.823 -0.016 0.000 0.648 1153 V HN 0.215 nan 8.190 nan 0.000 0.447 1154 R N -0.102 120.404 120.500 0.009 0.000 2.091 1154 R HA -0.180 4.139 4.340 -0.036 0.000 0.238 1154 R C 2.308 178.637 176.300 0.047 0.000 1.136 1154 R CA 1.766 57.877 56.100 0.020 0.000 0.959 1154 R CB -0.348 29.955 30.300 0.006 0.000 0.856 1154 R HN 0.629 nan 8.270 nan 0.000 0.437 1155 E N 0.747 120.972 120.200 0.041 0.000 2.072 1155 E HA -0.146 4.183 4.350 -0.036 0.000 0.191 1155 E C 2.200 178.846 176.600 0.078 0.000 0.985 1155 E CA 0.795 57.224 56.400 0.047 0.000 0.801 1155 E CB -0.106 29.612 29.700 0.031 0.000 0.750 1155 E HN 0.305 nan 8.360 nan 0.000 0.452 1156 L N 0.806 122.088 121.223 0.099 0.000 2.043 1156 L HA -0.249 4.070 4.340 -0.036 0.000 0.212 1156 L C 2.557 179.593 176.870 0.276 0.000 1.075 1156 L CA 1.115 56.063 54.840 0.181 0.000 0.752 1156 L CB -0.423 41.721 42.059 0.143 0.000 0.891 1156 L HN 0.194 nan 8.230 nan 0.000 0.432 1157 L N -1.195 120.146 121.223 0.196 0.000 2.046 1157 L HA -0.193 4.126 4.340 -0.036 0.000 0.208 1157 L C 2.655 179.712 176.870 0.313 0.000 1.077 1157 L CA 1.152 56.152 54.840 0.266 0.000 0.747 1157 L CB -0.397 41.754 42.059 0.153 0.000 0.896 1157 L HN 0.176 nan 8.230 nan 0.000 0.432 1158 S N -0.983 114.825 115.700 0.179 0.000 2.402 1158 S HA -0.204 4.245 4.470 -0.036 0.000 0.229 1158 S C 1.897 176.528 174.600 0.053 0.000 1.021 1158 S CA 0.882 59.149 58.200 0.112 0.000 0.974 1158 S CB -0.160 63.078 63.200 0.063 0.000 0.800 1158 S HN 0.402 nan 8.310 nan 0.000 0.484 1159 Q N -0.498 119.317 119.800 0.024 0.000 2.181 1159 Q HA -0.113 4.206 4.340 -0.036 0.000 0.205 1159 Q C 0.391 176.165 176.000 -0.377 0.000 0.980 1159 Q CA 1.248 56.937 55.803 -0.190 0.000 0.862 1159 Q CB -0.051 28.527 28.738 -0.266 0.000 0.905 1159 Q HN 0.670 nan 8.270 nan 0.000 0.429 1160 Y N -0.298 120.061 120.300 0.098 0.000 2.658 1160 Y HA 0.106 4.627 4.550 -0.047 0.000 0.276 1160 Y C -0.330 175.548 175.900 -0.036 0.000 1.167 1160 Y CA -0.288 57.863 58.100 0.086 0.000 1.230 1160 Y CB 0.680 39.256 38.460 0.193 0.000 1.144 1160 Y HN 0.057 nan 8.280 nan 0.000 0.529 1161 D N -0.993 119.421 120.400 0.023 0.000 3.068 1161 D HA -0.208 4.410 4.640 -0.036 0.000 0.218 1161 D C -0.605 175.558 176.300 -0.228 0.000 1.145 1161 D CA 0.693 54.629 54.000 -0.107 0.000 0.896 1161 D CB -1.553 39.149 40.800 -0.164 0.000 1.105 1161 D HN 0.234 nan 8.370 nan 0.000 0.423 1162 F N 0.179 120.173 119.950 0.073 0.000 2.377 1162 F HA 0.348 4.886 4.527 0.019 0.000 0.328 1162 F C -1.482 174.353 175.800 0.059 0.000 1.094 1162 F CA -2.200 55.837 58.000 0.061 0.000 1.093 1162 F CB 0.472 39.517 39.000 0.074 0.000 1.214 1162 F HN -0.313 nan 8.300 nan 0.000 0.518 1163 P HA 0.081 nan 4.420 nan 0.000 0.238 1163 P C 0.987 178.379 177.300 0.154 0.000 1.729 1163 P CA 0.237 63.444 63.100 0.179 0.000 1.055 1163 P CB -0.183 31.642 31.700 0.208 0.000 1.980 1164 G N 1.716 110.597 108.800 0.136 0.000 2.513 1164 G HA2 -0.287 3.651 3.960 -0.036 0.000 0.219 1164 G HA3 -0.287 3.651 3.960 -0.036 0.000 0.219 1164 G C 1.117 176.040 174.900 0.040 0.000 1.160 1164 G CA 0.693 45.844 45.100 0.084 0.000 0.767 1164 G HN 0.274 nan 8.290 nan 0.000 0.571 1165 D N 0.706 121.132 120.400 0.044 0.000 2.264 1165 D HA -0.041 4.578 4.640 -0.036 0.000 0.208 1165 D C 1.041 177.351 176.300 0.017 0.000 0.966 1165 D CA 0.898 54.913 54.000 0.025 0.000 0.864 1165 D CB -0.018 40.801 40.800 0.031 0.000 0.933 1165 D HN 0.263 nan 8.370 nan 0.000 0.499 1166 D N -0.030 120.393 120.400 0.038 0.000 2.431 1166 D HA 0.032 4.650 4.640 -0.036 0.000 0.213 1166 D C -0.001 176.273 176.300 -0.044 0.000 1.130 1166 D CA 0.113 54.136 54.000 0.038 0.000 0.834 1166 D CB 0.448 41.318 40.800 0.117 0.000 0.985 1166 D HN -0.082 nan 8.370 nan 0.000 0.504 1167 T N 3.227 117.727 114.554 -0.090 0.000 2.834 1167 T HA 0.220 4.549 4.350 -0.036 0.000 0.298 1167 T C -2.406 172.041 174.700 -0.422 0.000 0.966 1167 T CA -0.980 60.968 62.100 -0.254 0.000 1.141 1167 T CB 1.274 70.061 68.868 -0.136 0.000 0.905 1167 T HN -0.082 nan 8.240 nan 0.000 0.535 1168 P HA 0.317 nan 4.420 nan 0.000 0.271 1168 P C -0.660 176.261 177.300 -0.632 0.000 1.220 1168 P CA -0.088 62.437 63.100 -0.959 0.000 0.768 1168 P CB 0.317 30.955 31.700 -1.771 0.000 0.848 1169 I N 3.334 123.645 120.570 -0.433 0.000 2.439 1169 I HA 0.211 4.359 4.170 -0.036 0.000 0.283 1169 I C -0.385 175.648 176.117 -0.141 0.000 1.023 1169 I CA -1.045 60.114 61.300 -0.237 0.000 1.100 1169 I CB 1.926 39.828 38.000 -0.163 0.000 1.238 1169 I HN -0.035 nan 8.210 nan 0.000 0.445 1170 V N 6.706 126.571 119.914 -0.082 0.000 2.546 1170 V HA 0.357 4.456 4.120 -0.036 0.000 0.284 1170 V C 0.425 176.375 176.094 -0.239 0.000 1.050 1170 V CA -0.572 61.717 62.300 -0.019 0.000 0.981 1170 V CB 1.257 33.184 31.823 0.174 0.000 0.990 1170 V HN 0.640 nan 8.190 nan 0.000 0.474 1171 R N 3.422 123.831 120.500 -0.153 0.000 2.280 1171 R HA 0.600 4.918 4.340 -0.036 0.000 0.326 1171 R C 0.336 176.589 176.300 -0.078 0.000 1.080 1171 R CA -0.113 55.885 56.100 -0.171 0.000 1.002 1171 R CB 1.321 31.596 30.300 -0.042 0.000 1.136 1171 R HN 0.923 nan 8.270 nan 0.000 0.509 1172 G N -0.179 108.405 108.800 -0.360 0.000 3.176 1172 G HA2 0.463 4.402 3.960 -0.036 0.000 0.272 1172 G HA3 0.463 4.402 3.960 -0.036 0.000 0.272 1172 G C -1.216 173.632 174.900 -0.086 0.000 1.349 1172 G CA -0.445 44.659 45.100 0.007 0.000 0.953 1172 G HN 0.292 nan 8.290 nan 0.000 0.559 1173 S N -1.530 114.197 115.700 0.044 0.000 2.706 1173 S HA 0.523 4.972 4.470 -0.036 0.000 0.270 1173 S C 0.836 175.428 174.600 -0.013 0.000 1.163 1173 S CA 0.496 58.540 58.200 -0.260 0.000 1.042 1173 S CB 1.010 63.566 63.200 -1.074 0.000 1.079 1173 S HN 1.350 nan 8.310 nan 0.000 0.474 1174 A N 5.249 128.109 122.820 0.067 0.000 1.898 1174 A HA 0.070 4.369 4.320 -0.036 0.000 0.216 1174 A C 1.925 179.470 177.584 -0.064 0.000 1.181 1174 A CA 1.006 53.042 52.037 -0.001 0.000 0.620 1174 A CB -0.517 18.466 19.000 -0.028 0.000 0.819 1174 A HN 0.696 nan 8.150 nan 0.000 0.442 1175 L N -0.488 120.674 121.223 -0.102 0.000 1.989 1175 L HA -0.146 4.173 4.340 -0.036 0.000 0.211 1175 L C 2.383 179.180 176.870 -0.121 0.000 1.071 1175 L CA 2.150 56.923 54.840 -0.112 0.000 0.749 1175 L CB -1.223 40.759 42.059 -0.127 0.000 0.890 1175 L HN 0.258 nan 8.230 nan 0.000 0.431 1176 K N -0.314 119.955 120.400 -0.219 0.000 2.147 1176 K HA -0.037 4.261 4.320 -0.036 0.000 0.205 1176 K C 2.053 178.659 176.600 0.011 0.000 1.049 1176 K CA 1.283 57.455 56.287 -0.192 0.000 0.936 1176 K CB -0.440 31.675 32.500 -0.642 0.000 0.722 1176 K HN 0.311 nan 8.250 nan 0.000 0.446 1177 A N -0.145 122.699 122.820 0.038 0.000 1.929 1177 A HA -0.065 4.233 4.320 -0.036 0.000 0.216 1177 A C 1.912 179.509 177.584 0.021 0.000 1.176 1177 A CA 0.930 53.024 52.037 0.095 0.000 0.628 1177 A CB -0.403 18.662 19.000 0.107 0.000 0.816 1177 A HN 0.224 nan 8.150 nan 0.000 0.444 1178 L N 0.124 121.335 121.223 -0.020 0.000 2.291 1178 L HA -0.033 4.286 4.340 -0.036 0.000 0.214 1178 L C 2.007 178.860 176.870 -0.028 0.000 1.120 1178 L CA 1.691 56.508 54.840 -0.039 0.000 0.799 1178 L CB -0.560 41.464 42.059 -0.059 0.000 0.925 1178 L HN 0.496 nan 8.230 nan 0.000 0.446 1179 E N -1.146 119.044 120.200 -0.017 0.000 2.112 1179 E HA 0.096 4.424 4.350 -0.036 0.000 0.190 1179 E C 1.397 178.001 176.600 0.006 0.000 0.979 1179 E CA 0.771 57.166 56.400 -0.009 0.000 0.814 1179 E CB -0.019 29.677 29.700 -0.006 0.000 0.762 1179 E HN 0.502 nan 8.360 nan 0.000 0.460 1180 G N 1.554 110.369 108.800 0.025 0.000 2.198 1180 G HA2 -0.178 3.760 3.960 -0.036 0.000 0.156 1180 G HA3 -0.178 3.760 3.960 -0.036 0.000 0.156 1180 G C -0.313 174.618 174.900 0.053 0.000 1.012 1180 G CA -0.127 44.989 45.100 0.027 0.000 0.692 1180 G HN 0.200 nan 8.290 nan 0.000 0.492 1181 D N 1.233 121.694 120.400 0.101 0.000 2.434 1181 D HA 0.521 5.140 4.640 -0.036 0.000 0.252 1181 D C 1.596 177.969 176.300 0.123 0.000 1.185 1181 D CA 0.659 54.744 54.000 0.142 0.000 0.886 1181 D CB 1.115 42.087 40.800 0.287 0.000 1.148 1181 D HN 0.403 nan 8.370 nan 0.000 0.483 1182 A N 4.751 127.597 122.820 0.043 0.000 1.969 1182 A HA -0.162 4.137 4.320 -0.036 0.000 0.218 1182 A C 1.913 179.473 177.584 -0.040 0.000 1.169 1182 A CA 1.024 53.062 52.037 0.002 0.000 0.635 1182 A CB -0.367 18.619 19.000 -0.023 0.000 0.810 1182 A HN 0.747 nan 8.150 nan 0.000 0.445 1183 E N -0.959 119.171 120.200 -0.117 0.000 2.160 1183 E HA -0.221 4.108 4.350 -0.036 0.000 0.195 1183 E C 1.649 178.029 176.600 -0.367 0.000 0.991 1183 E CA 1.387 57.604 56.400 -0.305 0.000 0.810 1183 E CB -0.156 29.258 29.700 -0.477 0.000 0.742 1183 E HN 0.862 nan 8.360 nan 0.000 0.466 1184 W N 0.693 121.994 121.300 0.002 0.000 2.576 1184 W HA 0.087 4.725 4.660 -0.037 0.000 0.275 1184 W C 2.244 178.779 176.519 0.026 0.000 1.241 1184 W CA -0.007 57.349 57.345 0.019 0.000 1.328 1184 W CB 0.059 29.532 29.460 0.022 0.000 1.092 1184 W HN 0.064 nan 8.180 nan 0.000 0.586 1185 E N 0.683 121.002 120.200 0.199 0.000 2.160 1185 E HA -0.239 4.089 4.350 -0.036 0.000 0.195 1185 E C 2.281 178.920 176.600 0.065 0.000 0.991 1185 E CA 1.326 57.786 56.400 0.099 0.000 0.810 1185 E CB -0.338 29.384 29.700 0.036 0.000 0.742 1185 E HN 0.253 nan 8.360 nan 0.000 0.466 1186 A N 1.491 124.331 122.820 0.033 0.000 1.978 1186 A HA -0.210 4.088 4.320 -0.036 0.000 0.220 1186 A C 1.907 179.520 177.584 0.047 0.000 1.170 1186 A CA 1.238 53.278 52.037 0.004 0.000 0.636 1186 A CB -0.159 18.811 19.000 -0.051 0.000 0.810 1186 A HN -0.014 nan 8.150 nan 0.000 0.448 1187 K N -0.154 120.315 120.400 0.115 0.000 2.097 1187 K HA -0.017 4.282 4.320 -0.036 0.000 0.205 1187 K C 1.831 178.581 176.600 0.250 0.000 1.050 1187 K CA 0.825 57.233 56.287 0.201 0.000 0.938 1187 K CB -0.557 32.134 32.500 0.318 0.000 0.718 1187 K HN 0.457 nan 8.250 nan 0.000 0.442 1188 I N 1.494 122.185 120.570 0.201 0.000 2.163 1188 I HA -0.240 3.909 4.170 -0.036 0.000 0.243 1188 I C 2.380 178.534 176.117 0.062 0.000 1.085 1188 I CA 1.223 62.583 61.300 0.099 0.000 1.347 1188 I CB -1.126 36.878 38.000 0.007 0.000 1.044 1188 I HN 0.066 nan 8.210 nan 0.000 0.408 1189 L N 0.207 121.462 121.223 0.053 0.000 2.083 1189 L HA -0.212 4.107 4.340 -0.036 0.000 0.209 1189 L C 2.562 179.457 176.870 0.041 0.000 1.083 1189 L CA 1.311 56.187 54.840 0.060 0.000 0.752 1189 L CB -0.572 41.512 42.059 0.041 0.000 0.899 1189 L HN 0.348 nan 8.230 nan 0.000 0.433 1190 E N 0.635 120.854 120.200 0.033 0.000 2.077 1190 E HA -0.269 4.060 4.350 -0.036 0.000 0.193 1190 E C 2.235 178.835 176.600 0.002 0.000 0.989 1190 E CA 1.122 57.499 56.400 -0.039 0.000 0.800 1190 E CB -0.008 29.704 29.700 0.020 0.000 0.746 1190 E HN 0.316 nan 8.360 nan 0.000 0.452 1191 L N 0.850 122.180 121.223 0.179 0.000 2.046 1191 L HA -0.099 4.220 4.340 -0.036 0.000 0.208 1191 L C 2.231 179.187 176.870 0.144 0.000 1.077 1191 L CA 2.256 57.258 54.840 0.269 0.000 0.747 1191 L CB -0.624 41.586 42.059 0.251 0.000 0.896 1191 L HN 0.148 nan 8.230 nan 0.000 0.432 1192 A N -0.580 122.269 122.820 0.048 0.000 2.015 1192 A HA 0.020 4.319 4.320 -0.036 0.000 0.219 1192 A C 2.316 179.916 177.584 0.027 0.000 1.163 1192 A CA 1.203 53.244 52.037 0.008 0.000 0.646 1192 A CB -1.473 17.547 19.000 0.033 0.000 0.806 1192 A HN 0.541 nan 8.150 nan 0.000 0.448 1193 G N -0.956 107.829 108.800 -0.026 0.000 2.418 1193 G HA2 -0.162 3.776 3.960 -0.036 0.000 0.217 1193 G HA3 -0.162 3.776 3.960 -0.036 0.000 0.217 1193 G C 1.284 176.135 174.900 -0.083 0.000 1.158 1193 G CA 1.115 46.150 45.100 -0.108 0.000 0.771 1193 G HN 0.411 nan 8.290 nan 0.000 0.545 1194 F N 0.807 120.795 119.950 0.064 0.000 2.186 1194 F HA 0.132 4.640 4.527 -0.033 0.000 0.299 1194 F C 2.644 178.513 175.800 0.115 0.000 1.090 1194 F CA 0.394 58.441 58.000 0.079 0.000 1.307 1194 F CB -0.531 38.491 39.000 0.037 0.000 1.019 1194 F HN 0.020 nan 8.300 nan 0.000 0.489 1195 L N -0.404 120.969 121.223 0.250 0.000 2.012 1195 L HA -0.254 4.065 4.340 -0.036 0.000 0.210 1195 L C 2.143 179.172 176.870 0.266 0.000 1.073 1195 L CA 1.427 56.383 54.840 0.192 0.000 0.748 1195 L CB -0.780 41.238 42.059 -0.068 0.000 0.891 1195 L HN 0.047 nan 8.230 nan 0.000 0.431 1196 D N -0.338 120.204 120.400 0.237 0.000 2.117 1196 D HA -0.158 4.461 4.640 -0.036 0.000 0.197 1196 D C 2.400 178.774 176.300 0.124 0.000 0.987 1196 D CA 1.886 56.001 54.000 0.192 0.000 0.829 1196 D CB -0.050 40.818 40.800 0.113 0.000 0.961 1196 D HN 0.385 nan 8.370 nan 0.000 0.460 1197 S N -1.422 114.365 115.700 0.145 0.000 2.475 1197 S HA -0.052 4.396 4.470 -0.036 0.000 0.224 1197 S C 1.985 176.684 174.600 0.164 0.000 1.042 1197 S CA -0.116 58.164 58.200 0.134 0.000 0.935 1197 S CB -0.314 62.967 63.200 0.135 0.000 0.801 1197 S HN 0.253 nan 8.310 nan 0.000 0.509 1198 Y N 1.981 122.326 120.300 0.075 0.000 2.436 1198 Y HA 0.492 5.019 4.550 -0.038 0.000 0.288 1198 Y C 0.451 176.195 175.900 -0.261 0.000 1.112 1198 Y CA -0.526 57.568 58.100 -0.010 0.000 1.220 1198 Y CB 0.192 38.699 38.460 0.077 0.000 1.073 1198 Y HN 0.166 nan 8.280 nan 0.000 0.552 1199 I N 4.281 124.744 120.570 -0.179 0.000 2.301 1199 I HA 0.227 4.376 4.170 -0.036 0.000 0.292 1199 I C -2.258 173.692 176.117 -0.279 0.000 1.046 1199 I CA -2.054 59.019 61.300 -0.379 0.000 1.282 1199 I CB 0.769 38.741 38.000 -0.048 0.000 1.409 1199 I HN 0.016 nan 8.210 nan 0.000 0.484 1200 P HA 0.039 nan 4.420 nan 0.000 0.271 1200 P C -0.343 176.911 177.300 -0.077 0.000 1.218 1200 P CA -0.412 62.581 63.100 -0.178 0.000 0.780 1200 P CB 0.524 32.139 31.700 -0.142 0.000 0.901 1201 E N 3.560 123.732 120.200 -0.045 0.000 2.417 1201 E HA 0.068 4.396 4.350 -0.036 0.000 0.261 1201 E C -1.785 174.814 176.600 -0.002 0.000 1.000 1201 E CA -1.497 54.887 56.400 -0.027 0.000 0.919 1201 E CB -0.261 29.423 29.700 -0.025 0.000 0.955 1201 E HN 0.286 nan 8.360 nan 0.000 0.455 1202 P HA -0.048 nan 4.420 nan 0.000 0.268 1202 P C -0.821 176.495 177.300 0.026 0.000 1.208 1202 P CA 0.107 63.226 63.100 0.032 0.000 0.777 1202 P CB 0.461 32.186 31.700 0.042 0.000 0.875 1203 E N 2.267 122.485 120.200 0.030 0.000 2.366 1203 E HA 0.003 4.331 4.350 -0.036 0.000 0.266 1203 E C -0.241 176.373 176.600 0.022 0.000 1.015 1203 E CA -0.287 56.128 56.400 0.025 0.000 0.906 1203 E CB 0.362 30.079 29.700 0.028 0.000 0.979 1203 E HN 0.220 nan 8.360 nan 0.000 0.443 1204 R N 3.187 123.699 120.500 0.020 0.000 2.438 1204 R HA 0.147 4.466 4.340 -0.036 0.000 0.287 1204 R C 1.012 177.324 176.300 0.021 0.000 1.077 1204 R CA 0.214 56.325 56.100 0.018 0.000 1.034 1204 R CB 0.956 31.266 30.300 0.016 0.000 0.993 1204 R HN 0.703 nan 8.270 nan 0.000 0.459 1205 A N 3.534 126.366 122.820 0.020 0.000 1.927 1205 A HA -0.239 4.060 4.320 -0.036 0.000 0.220 1205 A C 1.947 179.551 177.584 0.034 0.000 1.185 1205 A CA 1.696 53.747 52.037 0.023 0.000 0.639 1205 A CB -0.460 18.551 19.000 0.019 0.000 0.820 1205 A HN 0.768 nan 8.150 nan 0.000 0.451 1206 I N -0.137 120.454 120.570 0.034 0.000 2.567 1206 I HA -0.170 3.979 4.170 -0.036 0.000 0.257 1206 I C 0.686 176.829 176.117 0.043 0.000 1.184 1206 I CA 1.629 62.955 61.300 0.042 0.000 1.451 1206 I CB -0.201 37.819 38.000 0.033 0.000 1.089 1206 I HN 0.229 nan 8.210 nan 0.000 0.441 1207 D N 0.206 120.627 120.400 0.035 0.000 2.339 1207 D HA 0.052 4.671 4.640 -0.036 0.000 0.217 1207 D C 0.666 176.988 176.300 0.037 0.000 1.050 1207 D CA 0.318 54.338 54.000 0.033 0.000 0.856 1207 D CB 0.112 40.927 40.800 0.026 0.000 0.922 1207 D HN 0.364 nan 8.370 nan 0.000 0.518 1208 K N 1.177 121.601 120.400 0.040 0.000 2.090 1208 K HA 0.347 4.646 4.320 -0.036 0.000 0.250 1208 K C -2.468 174.165 176.600 0.055 0.000 1.004 1208 K CA -1.669 54.641 56.287 0.038 0.000 0.919 1208 K CB 0.464 32.980 32.500 0.027 0.000 1.045 1208 K HN -0.157 nan 8.250 nan 0.000 0.471 1209 P HA -0.037 nan 4.420 nan 0.000 0.271 1209 P C -0.565 176.795 177.300 0.099 0.000 1.218 1209 P CA -0.288 62.859 63.100 0.079 0.000 0.780 1209 P CB 0.231 31.965 31.700 0.055 0.000 0.901 1210 F N 4.085 124.040 119.950 0.008 0.000 2.635 1210 F HA 0.197 4.703 4.527 -0.035 0.000 0.379 1210 F C -0.429 175.376 175.800 0.008 0.000 1.094 1210 F CA 0.415 58.420 58.000 0.008 0.000 1.300 1210 F CB -0.104 38.900 39.000 0.007 0.000 1.035 1210 F HN 0.198 nan 8.300 nan 0.000 0.581 1211 L N 7.858 128.516 121.223 -0.941 0.000 2.588 1211 L HA 0.532 4.851 4.340 -0.036 0.000 0.263 1211 L C -2.156 174.248 176.870 -0.777 0.000 0.935 1211 L CA -0.602 53.739 54.840 -0.833 0.000 0.891 1211 L CB 1.651 43.511 42.059 -0.332 0.000 1.318 1211 L HN 0.778 nan 8.230 nan 0.000 0.409 1212 L N 6.970 127.788 121.223 -0.675 0.000 2.372 1212 L HA 0.730 5.048 4.340 -0.036 0.000 0.274 1212 L C -2.506 174.283 176.870 -0.136 0.000 0.988 1212 L CA -1.416 53.261 54.840 -0.273 0.000 0.833 1212 L CB 2.172 44.181 42.059 -0.082 0.000 1.236 1212 L HN 0.386 nan 8.230 nan 0.000 0.410 1213 P HA 0.207 nan 4.420 nan 0.000 0.276 1213 P C -0.588 176.707 177.300 -0.009 0.000 1.243 1213 P CA 0.213 63.290 63.100 -0.039 0.000 0.768 1213 P CB 0.527 32.220 31.700 -0.011 0.000 0.856 1214 I N 3.626 124.188 120.570 -0.013 0.000 2.436 1214 I HA 0.034 4.182 4.170 -0.036 0.000 0.289 1214 I C 1.381 177.501 176.117 0.006 0.000 1.083 1214 I CA 0.425 61.728 61.300 0.004 0.000 1.372 1214 I CB 0.492 38.485 38.000 -0.011 0.000 1.408 1214 I HN 0.436 nan 8.210 nan 0.000 0.516 1215 E N 2.990 123.210 120.200 0.033 0.000 2.251 1215 E HA 0.034 4.362 4.350 -0.036 0.000 0.194 1215 E C -0.083 176.523 176.600 0.011 0.000 0.964 1215 E CA 0.449 56.872 56.400 0.038 0.000 0.868 1215 E CB 0.496 30.240 29.700 0.073 0.000 0.828 1215 E HN 0.560 nan 8.360 nan 0.000 0.481 1216 D N -1.026 119.375 120.400 0.001 0.000 2.639 1216 D HA 0.302 4.921 4.640 -0.036 0.000 0.271 1216 D C -1.696 174.450 176.300 -0.256 0.000 1.254 1216 D CA -0.571 53.329 54.000 -0.166 0.000 0.810 1216 D CB 2.452 43.149 40.800 -0.172 0.000 1.351 1216 D HN -0.228 nan 8.370 nan 0.000 0.427 1217 V N 1.518 121.081 119.914 -0.586 0.000 2.760 1217 V HA 0.669 4.768 4.120 -0.036 0.000 0.309 1217 V C -0.870 174.802 176.094 -0.705 0.000 1.077 1217 V CA -0.676 61.386 62.300 -0.395 0.000 0.910 1217 V CB 1.688 33.390 31.823 -0.201 0.000 1.008 1217 V HN 0.429 nan 8.190 nan 0.000 0.424 1218 F N 0.499 120.458 119.950 0.015 0.000 2.588 1218 F HA 0.643 5.149 4.527 -0.036 0.000 0.314 1218 F C 0.353 176.160 175.800 0.011 0.000 1.069 1218 F CA -0.713 57.296 58.000 0.015 0.000 0.931 1218 F CB 2.449 41.461 39.000 0.020 0.000 1.260 1218 F HN 0.296 nan 8.300 nan 0.000 0.465 1219 S N 3.202 119.017 115.700 0.191 0.000 2.520 1219 S HA 0.506 4.955 4.470 -0.036 0.000 0.324 1219 S C -0.692 173.969 174.600 0.102 0.000 1.069 1219 S CA -0.478 57.788 58.200 0.111 0.000 1.121 1219 S CB 0.287 63.526 63.200 0.064 0.000 0.971 1219 S HN 0.248 nan 8.310 nan 0.000 0.463 1220 I N 2.787 123.405 120.570 0.081 0.000 2.297 1220 I HA 0.212 4.361 4.170 -0.036 0.000 0.291 1220 I C 0.943 177.079 176.117 0.032 0.000 1.033 1220 I CA -0.303 61.026 61.300 0.050 0.000 1.253 1220 I CB 0.653 38.671 38.000 0.030 0.000 1.396 1220 I HN 0.450 nan 8.210 nan 0.000 0.476 1221 S N 4.635 120.351 115.700 0.027 0.000 2.546 1221 S HA 0.286 4.735 4.470 -0.036 0.000 0.290 1221 S C 1.230 175.836 174.600 0.011 0.000 1.262 1221 S CA 1.028 59.239 58.200 0.019 0.000 1.083 1221 S CB -0.031 63.178 63.200 0.017 0.000 0.859 1221 S HN 1.076 nan 8.310 nan 0.000 0.495 1222 G N 4.372 113.178 108.800 0.009 0.000 2.175 1222 G HA2 -0.192 3.746 3.960 -0.036 0.000 0.244 1222 G HA3 -0.192 3.746 3.960 -0.036 0.000 0.244 1222 G C 0.802 175.703 174.900 0.003 0.000 0.982 1222 G CA 0.422 45.524 45.100 0.004 0.000 0.641 1222 G HN 0.620 nan 8.290 nan 0.000 0.527 1223 R N -0.807 119.697 120.500 0.007 0.000 2.622 1223 R HA 0.477 4.796 4.340 -0.036 0.000 0.180 1223 R C 1.219 177.527 176.300 0.013 0.000 0.813 1223 R CA 1.466 57.570 56.100 0.006 0.000 1.049 1223 R CB 0.812 31.114 30.300 0.003 0.000 1.438 1223 R HN 1.500 nan 8.270 nan 0.000 0.636 1224 G N 0.231 109.044 108.800 0.022 0.000 2.306 1224 G HA2 -0.174 3.765 3.960 -0.036 0.000 0.262 1224 G HA3 -0.174 3.765 3.960 -0.036 0.000 0.262 1224 G C -0.976 173.950 174.900 0.044 0.000 1.263 1224 G CA -0.607 44.509 45.100 0.027 0.000 1.088 1224 G HN 0.052 nan 8.290 nan 0.000 0.489 1225 T N 0.578 115.159 114.554 0.045 0.000 2.869 1225 T HA 0.558 4.887 4.350 -0.036 0.000 0.295 1225 T C 0.168 174.917 174.700 0.080 0.000 0.987 1225 T CA 0.168 62.305 62.100 0.062 0.000 1.109 1225 T CB 1.306 70.198 68.868 0.041 0.000 0.932 1225 T HN 1.307 nan 8.240 nan 0.000 0.518 1226 V N 3.230 123.223 119.914 0.132 0.000 2.638 1226 V HA 0.644 4.743 4.120 -0.036 0.000 0.306 1226 V C 0.015 176.239 176.094 0.217 0.000 1.052 1226 V CA -1.186 61.207 62.300 0.155 0.000 0.885 1226 V CB 1.488 33.405 31.823 0.156 0.000 0.999 1226 V HN 0.810 nan 8.190 nan 0.000 0.424 1227 V N 1.101 121.112 119.914 0.162 0.000 2.630 1227 V HA 0.969 5.068 4.120 -0.036 0.000 0.305 1227 V C 0.182 176.390 176.094 0.191 0.000 1.046 1227 V CA -0.184 62.212 62.300 0.161 0.000 0.934 1227 V CB 1.602 33.481 31.823 0.093 0.000 1.003 1227 V HN 1.060 nan 8.190 nan 0.000 0.451 1228 T N 0.718 115.405 114.554 0.222 0.000 2.912 1228 T HA 0.980 5.309 4.350 -0.036 0.000 0.288 1228 T C 0.104 174.885 174.700 0.135 0.000 1.030 1228 T CA -0.054 62.161 62.100 0.192 0.000 1.020 1228 T CB 1.442 70.463 68.868 0.254 0.000 1.056 1228 T HN 1.992 nan 8.240 nan 0.000 0.480 1229 G N 0.652 109.519 108.800 0.112 0.000 2.321 1229 G HA2 0.470 4.408 3.960 -0.036 0.000 0.296 1229 G HA3 0.470 4.408 3.960 -0.036 0.000 0.296 1229 G C -1.848 173.100 174.900 0.080 0.000 1.287 1229 G CA -1.163 43.988 45.100 0.086 0.000 0.846 1229 G HN 0.824 nan 8.290 nan 0.000 0.508 1230 R N 0.238 120.776 120.500 0.064 0.000 2.338 1230 R HA 0.569 4.887 4.340 -0.036 0.000 0.317 1230 R C -0.350 175.984 176.300 0.057 0.000 0.968 1230 R CA -0.510 55.626 56.100 0.061 0.000 0.849 1230 R CB 1.487 31.815 30.300 0.048 0.000 1.128 1230 R HN 0.360 nan 8.270 nan 0.000 0.448 1231 V N 5.067 125.034 119.914 0.088 0.000 2.475 1231 V HA -0.079 4.020 4.120 -0.036 0.000 0.292 1231 V C 1.573 177.692 176.094 0.041 0.000 1.003 1231 V CA 0.673 63.035 62.300 0.103 0.000 1.120 1231 V CB 0.846 32.789 31.823 0.200 0.000 0.937 1231 V HN 0.945 nan 8.190 nan 0.000 0.476 1232 E N 5.297 125.483 120.200 -0.022 0.000 2.112 1232 E HA -0.011 4.318 4.350 -0.036 0.000 0.190 1232 E C 0.878 177.473 176.600 -0.008 0.000 0.979 1232 E CA 0.539 56.926 56.400 -0.021 0.000 0.814 1232 E CB 0.392 30.063 29.700 -0.047 0.000 0.762 1232 E HN 0.815 nan 8.360 nan 0.000 0.460 1233 R N -1.799 118.691 120.500 -0.017 0.000 2.716 1233 R HA 0.519 4.838 4.340 -0.036 0.000 0.271 1233 R C 0.083 176.442 176.300 0.099 0.000 1.028 1233 R CA -0.406 55.710 56.100 0.027 0.000 0.883 1233 R CB 0.779 31.083 30.300 0.006 0.000 1.250 1233 R HN 0.126 nan 8.270 nan 0.000 0.465 1234 G N 0.711 109.582 108.800 0.119 0.000 2.645 1234 G HA2 -0.162 3.777 3.960 -0.036 0.000 0.239 1234 G HA3 -0.162 3.777 3.960 -0.036 0.000 0.239 1234 G C -0.773 174.258 174.900 0.218 0.000 1.331 1234 G CA -0.068 45.136 45.100 0.174 0.000 0.890 1234 G HN 0.674 nan 8.290 nan 0.000 0.572 1235 I N -0.317 120.366 120.570 0.187 0.000 2.569 1235 I HA 0.499 4.648 4.170 -0.036 0.000 0.290 1235 I C -0.643 175.356 176.117 -0.197 0.000 1.088 1235 I CA -0.787 60.538 61.300 0.042 0.000 1.047 1235 I CB 1.916 39.919 38.000 0.004 0.000 1.237 1235 I HN 0.618 nan 8.210 nan 0.000 0.421 1236 I N 6.826 127.124 120.570 -0.454 0.000 2.354 1236 I HA 0.413 4.561 4.170 -0.036 0.000 0.292 1236 I C -0.764 175.146 176.117 -0.344 0.000 0.989 1236 I CA -0.153 60.694 61.300 -0.755 0.000 1.188 1236 I CB 0.786 37.941 38.000 -1.407 0.000 1.342 1236 I HN 0.440 nan 8.210 nan 0.000 0.457 1237 K N 5.943 126.190 120.400 -0.256 0.000 2.259 1237 K HA 0.535 4.834 4.320 -0.036 0.000 0.252 1237 K C -1.023 175.504 176.600 -0.121 0.000 0.936 1237 K CA -1.048 55.152 56.287 -0.145 0.000 0.810 1237 K CB 2.185 34.625 32.500 -0.100 0.000 1.143 1237 K HN 0.368 nan 8.250 nan 0.000 0.427 1238 V N 2.283 122.146 119.914 -0.086 0.000 2.584 1238 V HA -0.004 4.094 4.120 -0.036 0.000 0.303 1238 V C 1.397 177.459 176.094 -0.053 0.000 1.035 1238 V CA 1.966 64.228 62.300 -0.063 0.000 1.172 1238 V CB 0.168 31.964 31.823 -0.046 0.000 0.896 1238 V HN 1.198 nan 8.190 nan 0.000 0.486 1239 G N 3.561 112.333 108.800 -0.046 0.000 2.232 1239 G HA2 -0.181 3.758 3.960 -0.036 0.000 0.226 1239 G HA3 -0.181 3.758 3.960 -0.036 0.000 0.226 1239 G C 0.069 174.947 174.900 -0.037 0.000 0.996 1239 G CA 0.077 45.156 45.100 -0.035 0.000 0.626 1239 G HN 0.654 nan 8.290 nan 0.000 0.509 1240 E N 1.125 121.293 120.200 -0.054 0.000 2.366 1240 E HA 0.429 4.758 4.350 -0.036 0.000 0.266 1240 E C 0.115 176.695 176.600 -0.034 0.000 1.051 1240 E CA -0.320 56.050 56.400 -0.050 0.000 0.884 1240 E CB 0.872 30.523 29.700 -0.082 0.000 1.006 1240 E HN 0.469 nan 8.360 nan 0.000 0.417 1241 E N 0.955 121.147 120.200 -0.014 0.000 2.366 1241 E HA 0.240 4.568 4.350 -0.036 0.000 0.266 1241 E C -0.555 176.060 176.600 0.026 0.000 1.051 1241 E CA -0.374 56.029 56.400 0.004 0.000 0.884 1241 E CB 1.296 31.000 29.700 0.007 0.000 1.006 1241 E HN 0.247 nan 8.360 nan 0.000 0.417 1242 V N -0.896 119.044 119.914 0.043 0.000 3.078 1242 V HA 0.523 4.622 4.120 -0.036 0.000 0.311 1242 V C -0.681 175.449 176.094 0.060 0.000 1.138 1242 V CA -1.016 61.337 62.300 0.088 0.000 1.007 1242 V CB 2.032 33.937 31.823 0.137 0.000 1.045 1242 V HN 0.591 nan 8.190 nan 0.000 0.432 1243 E N 2.219 122.455 120.200 0.060 0.000 2.207 1243 E HA 0.576 4.904 4.350 -0.036 0.000 0.270 1243 E C -1.274 175.334 176.600 0.015 0.000 0.927 1243 E CA -0.960 55.454 56.400 0.023 0.000 0.799 1243 E CB 2.383 32.086 29.700 0.005 0.000 1.172 1243 E HN 0.590 nan 8.360 nan 0.000 0.404 1244 I N 3.083 123.650 120.570 -0.005 0.000 2.306 1244 I HA 0.226 4.375 4.170 -0.036 0.000 0.288 1244 I C -0.306 175.784 176.117 -0.045 0.000 1.036 1244 I CA -0.570 60.718 61.300 -0.021 0.000 1.221 1244 I CB 0.402 38.389 38.000 -0.021 0.000 1.385 1244 I HN 0.188 nan 8.210 nan 0.000 0.472 1245 V N 4.700 124.578 119.914 -0.059 0.000 2.513 1245 V HA 0.965 5.064 4.120 -0.036 0.000 0.299 1245 V C 0.494 176.529 176.094 -0.097 0.000 1.035 1245 V CA -0.447 61.805 62.300 -0.080 0.000 0.889 1245 V CB 1.258 33.030 31.823 -0.085 0.000 0.988 1245 V HN 1.067 nan 8.190 nan 0.000 0.440 1246 G N 2.894 111.627 108.800 -0.111 0.000 2.539 1246 G HA2 0.135 4.074 3.960 -0.036 0.000 0.686 1246 G HA3 0.135 4.074 3.960 -0.036 0.000 0.686 1246 G C -0.136 174.676 174.900 -0.146 0.000 1.258 1246 G CA -0.304 44.722 45.100 -0.124 0.000 0.846 1246 G HN 1.198 nan 8.290 nan 0.000 0.647 1247 I N -1.993 118.471 120.570 -0.175 0.000 4.473 1247 I HA -0.342 3.807 4.170 -0.036 0.000 0.062 1247 I C 1.444 177.417 176.117 -0.240 0.000 0.603 1247 I CA 2.418 63.506 61.300 -0.353 0.000 0.966 1247 I CB -1.247 36.470 38.000 -0.473 0.000 0.870 1247 I HN 0.706 nan 8.210 nan 0.000 0.168 1248 K N 1.327 121.624 120.400 -0.171 0.000 2.267 1248 K HA 0.395 4.694 4.320 -0.036 0.000 0.236 1248 K C 0.143 176.689 176.600 -0.090 0.000 1.030 1248 K CA -0.683 55.534 56.287 -0.117 0.000 0.930 1248 K CB 0.874 33.313 32.500 -0.101 0.000 1.182 1248 K HN 0.211 nan 8.250 nan 0.000 0.474 1249 E N 1.204 121.362 120.200 -0.070 0.000 2.452 1249 E HA -0.043 4.286 4.350 -0.036 0.000 0.261 1249 E C -0.864 175.701 176.600 -0.059 0.000 0.987 1249 E CA 0.110 56.475 56.400 -0.059 0.000 0.926 1249 E CB 0.550 30.222 29.700 -0.046 0.000 0.934 1249 E HN 0.315 nan 8.360 nan 0.000 0.452 1250 T N 4.697 119.216 114.554 -0.059 0.000 2.908 1250 T HA 0.013 4.342 4.350 -0.036 0.000 0.301 1250 T C -0.228 174.448 174.700 -0.039 0.000 1.019 1250 T CA 0.276 62.344 62.100 -0.053 0.000 1.152 1250 T CB 0.517 69.353 68.868 -0.054 0.000 0.966 1250 T HN 0.432 nan 8.240 nan 0.000 0.540 1251 Q N 1.771 121.551 119.800 -0.033 0.000 2.359 1251 Q HA 0.622 4.941 4.340 -0.036 0.000 0.275 1251 Q C -0.464 175.528 176.000 -0.013 0.000 1.082 1251 Q CA -0.950 54.840 55.803 -0.023 0.000 0.849 1251 Q CB 2.284 31.009 28.738 -0.023 0.000 1.377 1251 Q HN 0.437 nan 8.270 nan 0.000 0.452 1252 K N 0.051 120.447 120.400 -0.007 0.000 2.267 1252 K HA 0.739 5.038 4.320 -0.036 0.000 0.246 1252 K C -1.148 175.455 176.600 0.004 0.000 0.954 1252 K CA -0.302 55.986 56.287 0.001 0.000 0.824 1252 K CB 1.926 34.426 32.500 -0.000 0.000 1.167 1252 K HN 0.519 nan 8.250 nan 0.000 0.431 1253 S N 0.094 115.801 115.700 0.011 0.000 2.727 1253 S HA 0.542 4.991 4.470 -0.036 0.000 0.278 1253 S C -1.746 172.860 174.600 0.011 0.000 1.186 1253 S CA -0.648 57.559 58.200 0.011 0.000 0.836 1253 S CB 1.701 64.910 63.200 0.015 0.000 1.186 1253 S HN 0.517 nan 8.310 nan 0.000 0.499 1254 T N 1.312 115.871 114.554 0.007 0.000 2.879 1254 T HA 0.375 4.704 4.350 -0.036 0.000 0.290 1254 T C -0.476 174.222 174.700 -0.004 0.000 0.993 1254 T CA -0.358 61.741 62.100 -0.001 0.000 0.975 1254 T CB 0.897 69.762 68.868 -0.006 0.000 0.981 1254 T HN 0.807 nan 8.240 nan 0.000 0.439 1255 C N 4.694 123.983 119.300 -0.018 0.000 2.657 1255 C HA 0.295 4.734 4.460 -0.036 0.000 0.404 1255 C C 1.920 176.894 174.990 -0.027 0.000 1.369 1255 C CA 0.305 59.306 59.018 -0.029 0.000 1.665 1255 C CB -1.542 26.154 27.740 -0.073 0.000 2.453 1255 C HN 1.040 nan 8.230 nan 0.000 0.599 1256 T N 2.443 116.988 114.554 -0.015 0.000 3.069 1256 T HA 0.487 4.815 4.350 -0.036 0.000 0.252 1256 T C 0.566 175.255 174.700 -0.018 0.000 1.053 1256 T CA 0.371 62.462 62.100 -0.015 0.000 0.964 1256 T CB 0.136 69.000 68.868 -0.007 0.000 1.005 1256 T HN 1.454 nan 8.240 nan 0.000 0.532 1257 G N 0.053 108.841 108.800 -0.020 0.000 2.442 1257 G HA2 0.483 4.421 3.960 -0.036 0.000 0.296 1257 G HA3 0.483 4.421 3.960 -0.036 0.000 0.296 1257 G C -2.049 172.839 174.900 -0.020 0.000 1.564 1257 G CA -0.637 44.450 45.100 -0.021 0.000 0.828 1257 G HN 0.261 nan 8.290 nan 0.000 0.571 1258 V N 0.299 120.200 119.914 -0.022 0.000 2.709 1258 V HA 0.825 4.924 4.120 -0.036 0.000 0.308 1258 V C -0.307 175.783 176.094 -0.008 0.000 1.062 1258 V CA -0.698 61.594 62.300 -0.013 0.000 0.901 1258 V CB 1.948 33.755 31.823 -0.027 0.000 1.003 1258 V HN 0.948 nan 8.190 nan 0.000 0.425 1259 E N 3.230 123.433 120.200 0.005 0.000 2.308 1259 E HA 0.698 5.027 4.350 -0.036 0.000 0.275 1259 E C -1.511 175.099 176.600 0.017 0.000 0.890 1259 E CA -0.631 55.768 56.400 -0.002 0.000 0.754 1259 E CB 2.209 31.902 29.700 -0.011 0.000 1.207 1259 E HN 0.673 nan 8.360 nan 0.000 0.426 1260 M N 2.933 122.542 119.600 0.016 0.000 2.777 1260 M HA 0.328 4.786 4.480 -0.036 0.000 0.307 1260 M C 0.441 176.776 176.300 0.058 0.000 1.228 1260 M CA -0.747 54.585 55.300 0.054 0.000 0.871 1260 M CB 1.014 33.650 32.600 0.060 0.000 1.721 1260 M HN 0.720 nan 8.290 nan 0.000 0.487 1261 F N 0.891 120.830 119.950 -0.019 0.000 2.192 1261 F HA -0.171 4.335 4.527 -0.036 0.000 0.301 1261 F C 1.895 177.683 175.800 -0.020 0.000 1.079 1261 F CA 2.032 60.017 58.000 -0.025 0.000 1.303 1261 F CB 0.060 39.046 39.000 -0.023 0.000 1.024 1261 F HN 0.452 nan 8.300 nan 0.000 0.494 1262 R N -0.241 120.260 120.500 0.003 0.000 2.282 1262 R HA 0.150 4.469 4.340 -0.036 0.000 0.195 1262 R C -0.378 175.873 176.300 -0.081 0.000 0.909 1262 R CA 0.321 56.386 56.100 -0.059 0.000 1.039 1262 R CB 0.255 30.598 30.300 0.072 0.000 1.015 1262 R HN 0.179 nan 8.270 nan 0.000 0.513 1263 K N 0.010 120.376 120.400 -0.056 0.000 2.523 1263 K HA 0.281 4.579 4.320 -0.036 0.000 0.257 1263 K C -1.221 175.353 176.600 -0.043 0.000 0.932 1263 K CA -0.742 55.517 56.287 -0.046 0.000 0.812 1263 K CB 1.808 34.296 32.500 -0.019 0.000 1.326 1263 K HN -0.144 nan 8.250 nan 0.000 0.433 1264 L N 2.934 124.130 121.223 -0.045 0.000 2.371 1264 L HA 0.423 4.742 4.340 -0.036 0.000 0.272 1264 L C -0.421 176.434 176.870 -0.025 0.000 1.124 1264 L CA -0.622 54.196 54.840 -0.036 0.000 0.816 1264 L CB 0.648 42.683 42.059 -0.039 0.000 1.129 1264 L HN 0.474 nan 8.230 nan 0.000 0.448 1265 L N 1.759 122.969 121.223 -0.021 0.000 2.279 1265 L HA 0.419 4.737 4.340 -0.036 0.000 0.262 1265 L C 0.157 177.012 176.870 -0.025 0.000 1.019 1265 L CA -0.774 54.054 54.840 -0.019 0.000 0.823 1265 L CB 1.765 43.817 42.059 -0.013 0.000 1.358 1265 L HN 0.510 nan 8.230 nan 0.000 0.432 1266 D N -0.073 120.311 120.400 -0.027 0.000 2.327 1266 D HA 0.025 4.643 4.640 -0.036 0.000 0.205 1266 D C 0.084 176.356 176.300 -0.046 0.000 0.989 1266 D CA 0.685 54.665 54.000 -0.033 0.000 0.873 1266 D CB 0.807 41.590 40.800 -0.029 0.000 0.955 1266 D HN 0.662 nan 8.370 nan 0.000 0.515 1267 E N -0.699 119.475 120.200 -0.044 0.000 2.413 1267 E HA 0.606 4.935 4.350 -0.036 0.000 0.277 1267 E C -0.776 175.798 176.600 -0.043 0.000 0.958 1267 E CA -1.206 55.157 56.400 -0.061 0.000 0.779 1267 E CB 1.861 31.528 29.700 -0.055 0.000 1.278 1267 E HN -0.109 nan 8.360 nan 0.000 0.456 1268 G N 1.207 109.971 108.800 -0.059 0.000 2.513 1268 G HA2 0.635 4.574 3.960 -0.036 0.000 0.317 1268 G HA3 0.635 4.574 3.960 -0.036 0.000 0.317 1268 G C -0.959 173.956 174.900 0.025 0.000 1.277 1268 G CA -0.929 44.169 45.100 -0.003 0.000 0.955 1268 G HN 0.424 nan 8.290 nan 0.000 0.484 1269 R N 1.204 121.738 120.500 0.057 0.000 2.803 1269 R HA 0.707 5.025 4.340 -0.036 0.000 0.276 1269 R C 0.054 176.409 176.300 0.090 0.000 0.978 1269 R CA -0.892 55.251 56.100 0.070 0.000 0.939 1269 R CB 1.990 32.315 30.300 0.041 0.000 1.179 1269 R HN 0.685 nan 8.270 nan 0.000 0.472 1270 A N 0.969 123.847 122.820 0.097 0.000 2.598 1270 A HA 0.289 4.588 4.320 -0.036 0.000 0.239 1270 A C 1.410 179.026 177.584 0.054 0.000 1.032 1270 A CA 1.362 53.446 52.037 0.078 0.000 0.760 1270 A CB -0.758 18.278 19.000 0.060 0.000 0.946 1270 A HN 1.079 nan 8.150 nan 0.000 0.512 1271 G N 1.529 110.358 108.800 0.049 0.000 2.258 1271 G HA2 -0.201 3.738 3.960 -0.036 0.000 0.233 1271 G HA3 -0.201 3.738 3.960 -0.036 0.000 0.233 1271 G C 0.075 175.000 174.900 0.041 0.000 1.006 1271 G CA 0.397 45.519 45.100 0.036 0.000 0.620 1271 G HN 0.907 nan 8.290 nan 0.000 0.511 1272 E N 0.929 121.161 120.200 0.053 0.000 2.283 1272 E HA 0.422 4.751 4.350 -0.036 0.000 0.278 1272 E C -0.413 176.224 176.600 0.061 0.000 1.027 1272 E CA -0.495 55.936 56.400 0.053 0.000 0.843 1272 E CB 0.548 30.279 29.700 0.053 0.000 1.062 1272 E HN 0.397 nan 8.360 nan 0.000 0.401 1273 N N 1.629 120.362 118.700 0.054 0.000 2.422 1273 N HA 0.234 4.953 4.740 -0.036 0.000 0.264 1273 N C -0.860 174.690 175.510 0.066 0.000 1.063 1273 N CA -0.236 52.850 53.050 0.060 0.000 0.959 1273 N CB 1.061 39.578 38.487 0.051 0.000 1.087 1273 N HN 0.246 nan 8.380 nan 0.000 0.483 1274 V N -1.160 118.800 119.914 0.077 0.000 3.206 1274 V HA 0.885 4.984 4.120 -0.036 0.000 0.305 1274 V C 0.047 176.190 176.094 0.081 0.000 1.257 1274 V CA -1.170 61.174 62.300 0.074 0.000 1.057 1274 V CB 1.487 33.353 31.823 0.072 0.000 1.075 1274 V HN 0.518 nan 8.190 nan 0.000 0.443 1275 G N 0.460 109.300 108.800 0.066 0.000 2.335 1275 G HA2 0.604 4.543 3.960 -0.036 0.000 0.316 1275 G HA3 0.604 4.543 3.960 -0.036 0.000 0.316 1275 G C -0.957 173.982 174.900 0.065 0.000 1.129 1275 G CA -0.627 44.515 45.100 0.070 0.000 0.899 1275 G HN 1.105 nan 8.290 nan 0.000 0.448 1276 V N 3.792 123.758 119.914 0.086 0.000 2.357 1276 V HA 0.276 4.375 4.120 -0.036 0.000 0.284 1276 V C -0.270 175.861 176.094 0.062 0.000 1.018 1276 V CA -0.772 61.569 62.300 0.068 0.000 0.841 1276 V CB 1.051 32.934 31.823 0.100 0.000 0.991 1276 V HN 0.526 nan 8.190 nan 0.000 0.437 1277 L N 6.472 127.717 121.223 0.036 0.000 2.349 1277 L HA 0.478 4.796 4.340 -0.036 0.000 0.275 1277 L C -0.088 176.797 176.870 0.026 0.000 1.115 1277 L CA 0.455 55.315 54.840 0.033 0.000 0.820 1277 L CB 0.563 42.632 42.059 0.017 0.000 1.135 1277 L HN 0.421 nan 8.230 nan 0.000 0.445 1278 L N 2.733 123.975 121.223 0.031 0.000 2.362 1278 L HA 0.597 4.915 4.340 -0.036 0.000 0.271 1278 L C 0.019 176.899 176.870 0.017 0.000 1.002 1278 L CA -0.926 53.929 54.840 0.024 0.000 0.818 1278 L CB 2.020 44.098 42.059 0.032 0.000 1.298 1278 L HN 0.538 nan 8.230 nan 0.000 0.420 1279 R N 0.871 121.377 120.500 0.010 0.000 2.340 1279 R HA 0.513 4.832 4.340 -0.036 0.000 0.300 1279 R C 0.943 177.246 176.300 0.006 0.000 1.069 1279 R CA 1.057 57.161 56.100 0.006 0.000 0.984 1279 R CB 0.938 31.239 30.300 0.001 0.000 1.003 1279 R HN 0.815 nan 8.270 nan 0.000 0.459 1280 G N 4.592 113.395 108.800 0.005 0.000 4.039 1280 G HA2 -0.372 3.567 3.960 -0.036 0.000 0.220 1280 G HA3 -0.372 3.567 3.960 -0.036 0.000 0.220 1280 G C 0.360 175.262 174.900 0.003 0.000 1.391 1280 G CA 0.150 45.252 45.100 0.003 0.000 0.920 1280 G HN 0.695 nan 8.290 nan 0.000 0.599 1281 I N 2.453 123.025 120.570 0.004 0.000 2.880 1281 I HA 0.217 4.366 4.170 -0.036 0.000 0.296 1281 I C 0.409 176.528 176.117 0.003 0.000 1.220 1281 I CA 0.091 61.392 61.300 0.001 0.000 1.435 1281 I CB 0.360 38.361 38.000 0.001 0.000 1.339 1281 I HN 0.185 nan 8.210 nan 0.000 0.583 1282 K N 7.332 127.730 120.400 -0.003 0.000 2.098 1282 K HA 0.197 4.496 4.320 -0.036 0.000 0.258 1282 K C 0.712 177.307 176.600 -0.009 0.000 0.973 1282 K CA -0.511 55.774 56.287 -0.003 0.000 0.898 1282 K CB 1.004 33.501 32.500 -0.006 0.000 1.057 1282 K HN 0.587 nan 8.250 nan 0.000 0.447 1283 R N 1.951 122.447 120.500 -0.007 0.000 2.103 1283 R HA -0.174 4.145 4.340 -0.036 0.000 0.242 1283 R C 1.082 177.359 176.300 -0.039 0.000 1.142 1283 R CA 1.906 57.992 56.100 -0.022 0.000 0.960 1283 R CB 0.179 30.468 30.300 -0.019 0.000 0.858 1283 R HN 0.634 nan 8.270 nan 0.000 0.439 1284 E N 0.298 120.479 120.200 -0.032 0.000 2.516 1284 E HA -0.146 4.183 4.350 -0.036 0.000 0.199 1284 E C 0.575 177.151 176.600 -0.039 0.000 1.069 1284 E CA 0.840 57.218 56.400 -0.037 0.000 0.876 1284 E CB -0.002 29.681 29.700 -0.028 0.000 0.843 1284 E HN 0.586 nan 8.360 nan 0.000 0.530 1285 E N 0.451 120.630 120.200 -0.036 0.000 2.474 1285 E HA 0.251 4.579 4.350 -0.036 0.000 0.195 1285 E C 0.368 176.940 176.600 -0.046 0.000 1.039 1285 E CA 0.022 56.400 56.400 -0.038 0.000 0.881 1285 E CB 0.514 30.197 29.700 -0.028 0.000 0.970 1285 E HN 0.252 nan 8.360 nan 0.000 0.486 1286 I N 1.364 121.903 120.570 -0.051 0.000 2.785 1286 I HA 0.290 4.439 4.170 -0.036 0.000 0.302 1286 I C -0.359 175.713 176.117 -0.075 0.000 1.069 1286 I CA -0.889 60.377 61.300 -0.058 0.000 1.045 1286 I CB 2.082 40.056 38.000 -0.043 0.000 1.236 1286 I HN -0.070 nan 8.210 nan 0.000 0.429 1287 E N 4.115 124.267 120.200 -0.081 0.000 2.412 1287 E HA 0.384 4.713 4.350 -0.036 0.000 0.279 1287 E C -1.075 175.478 176.600 -0.079 0.000 0.984 1287 E CA -1.156 55.192 56.400 -0.087 0.000 0.788 1287 E CB 1.828 31.474 29.700 -0.090 0.000 1.277 1287 E HN 0.497 nan 8.360 nan 0.000 0.455 1288 R N 0.160 120.616 120.500 -0.073 0.000 2.583 1288 R HA 0.185 4.504 4.340 -0.036 0.000 0.274 1288 R C 0.746 177.012 176.300 -0.056 0.000 0.998 1288 R CA 2.059 58.127 56.100 -0.054 0.000 1.081 1288 R CB -0.185 30.091 30.300 -0.039 0.000 0.940 1288 R HN 0.938 nan 8.270 nan 0.000 0.413 1289 G N 2.238 111.006 108.800 -0.054 0.000 2.278 1289 G HA2 -0.241 3.698 3.960 -0.036 0.000 0.210 1289 G HA3 -0.241 3.698 3.960 -0.036 0.000 0.210 1289 G C -0.088 174.772 174.900 -0.066 0.000 1.000 1289 G CA -0.069 44.996 45.100 -0.058 0.000 0.635 1289 G HN 0.610 nan 8.290 nan 0.000 0.495 1290 Q N 0.314 120.071 119.800 -0.073 0.000 2.317 1290 Q HA 0.585 4.904 4.340 -0.036 0.000 0.229 1290 Q C 0.421 176.383 176.000 -0.064 0.000 0.984 1290 Q CA 0.057 55.813 55.803 -0.077 0.000 0.911 1290 Q CB 2.267 30.958 28.738 -0.078 0.000 1.217 1290 Q HN 0.906 nan 8.270 nan 0.000 0.501 1291 V N -1.528 118.343 119.914 -0.071 0.000 2.919 1291 V HA 0.559 4.658 4.120 -0.036 0.000 0.316 1291 V C -0.676 175.376 176.094 -0.069 0.000 1.077 1291 V CA -1.098 61.154 62.300 -0.079 0.000 0.977 1291 V CB 1.444 33.204 31.823 -0.104 0.000 1.039 1291 V HN 0.611 nan 8.190 nan 0.000 0.441 1292 L N 3.180 124.356 121.223 -0.080 0.000 2.292 1292 L HA 0.840 5.158 4.340 -0.036 0.000 0.284 1292 L C 0.282 177.056 176.870 -0.161 0.000 1.065 1292 L CA -0.104 54.722 54.840 -0.024 0.000 0.806 1292 L CB 1.294 43.420 42.059 0.112 0.000 1.175 1292 L HN 1.110 nan 8.230 nan 0.000 0.431 1293 A N 4.342 127.150 122.820 -0.021 0.000 2.556 1293 A HA 0.422 4.721 4.320 -0.036 0.000 0.294 1293 A C -0.947 176.732 177.584 0.158 0.000 1.091 1293 A CA -0.774 51.237 52.037 -0.043 0.000 0.704 1293 A CB 1.666 20.623 19.000 -0.070 0.000 1.300 1293 A HN 0.632 nan 8.150 nan 0.000 0.406 1294 K N 1.095 121.613 120.400 0.197 0.000 2.451 1294 K HA 0.232 4.531 4.320 -0.036 0.000 0.280 1294 K C -2.410 174.237 176.600 0.078 0.000 1.020 1294 K CA -1.274 55.111 56.287 0.164 0.000 1.008 1294 K CB 0.191 32.779 32.500 0.148 0.000 0.917 1294 K HN 0.283 nan 8.250 nan 0.000 0.478 1295 P HA -0.040 nan 4.420 nan 0.000 0.264 1295 P C 0.285 177.598 177.300 0.021 0.000 1.193 1295 P CA 0.867 63.986 63.100 0.031 0.000 0.763 1295 P CB 0.612 32.328 31.700 0.025 0.000 0.810 1296 G N 2.595 111.399 108.800 0.008 0.000 2.225 1296 G HA2 -0.318 3.621 3.960 -0.036 0.000 0.254 1296 G HA3 -0.318 3.621 3.960 -0.036 0.000 0.254 1296 G C 1.047 175.951 174.900 0.006 0.000 0.988 1296 G CA 0.690 45.792 45.100 0.004 0.000 0.625 1296 G HN 0.603 nan 8.290 nan 0.000 0.527 1297 T N -1.962 112.599 114.554 0.010 0.000 3.067 1297 T HA 0.583 4.911 4.350 -0.036 0.000 0.261 1297 T C 0.934 175.634 174.700 0.000 0.000 1.110 1297 T CA 1.114 63.221 62.100 0.011 0.000 1.113 1297 T CB 0.620 69.500 68.868 0.021 0.000 0.917 1297 T HN 1.040 nan 8.240 nan 0.000 0.499 1298 I N 0.066 120.627 120.570 -0.014 0.000 2.802 1298 I HA 0.505 4.653 4.170 -0.036 0.000 0.298 1298 I C -1.693 174.393 176.117 -0.052 0.000 1.176 1298 I CA -1.149 60.137 61.300 -0.024 0.000 1.025 1298 I CB 2.040 40.016 38.000 -0.040 0.000 1.243 1298 I HN -0.170 nan 8.210 nan 0.000 0.424 1299 K N 6.538 126.898 120.400 -0.067 0.000 2.328 1299 K HA 0.623 4.922 4.320 -0.036 0.000 0.246 1299 K C -2.733 173.656 176.600 -0.353 0.000 0.955 1299 K CA -1.873 54.297 56.287 -0.195 0.000 0.817 1299 K CB 1.995 34.377 32.500 -0.197 0.000 1.208 1299 K HN 0.284 nan 8.250 nan 0.000 0.432 1300 P HA 0.357 nan 4.420 nan 0.000 0.288 1300 P C -0.905 176.020 177.300 -0.625 0.000 1.267 1300 P CA -0.176 62.694 63.100 -0.384 0.000 0.815 1300 P CB 1.129 32.690 31.700 -0.232 0.000 0.989 1301 H N 0.662 119.674 119.070 -0.098 0.000 2.980 1301 H HA 0.333 4.870 4.556 -0.031 0.000 0.367 1301 H C 0.455 175.744 175.328 -0.066 0.000 1.206 1301 H CA -0.425 55.585 56.048 -0.064 0.000 1.126 1301 H CB 2.023 31.761 29.762 -0.041 0.000 1.838 1301 H HN 0.284 nan 8.280 nan 0.000 0.552 1302 T N -0.591 114.022 114.554 0.098 0.000 2.978 1302 T HA 0.123 4.452 4.350 -0.036 0.000 0.248 1302 T C 0.664 175.357 174.700 -0.013 0.000 1.018 1302 T CA 0.064 62.169 62.100 0.009 0.000 1.026 1302 T CB 1.284 70.139 68.868 -0.021 0.000 1.032 1302 T HN 0.254 nan 8.240 nan 0.000 0.485 1303 K N 1.097 121.516 120.400 0.032 0.000 2.471 1303 K HA 0.576 4.875 4.320 -0.036 0.000 0.252 1303 K C -1.866 174.736 176.600 0.003 0.000 0.938 1303 K CA -1.074 55.152 56.287 -0.102 0.000 0.796 1303 K CB 1.346 33.791 32.500 -0.092 0.000 1.161 1303 K HN 0.248 nan 8.250 nan 0.000 0.425 1304 F N -0.157 119.724 119.950 -0.116 0.000 2.668 1304 F HA 0.472 4.975 4.527 -0.040 0.000 0.309 1304 F C -0.900 174.874 175.800 -0.044 0.000 1.117 1304 F CA -1.142 56.804 58.000 -0.089 0.000 0.951 1304 F CB 1.070 40.017 39.000 -0.089 0.000 1.323 1304 F HN 0.314 nan 8.300 nan 0.000 0.451 1305 E N 1.442 121.757 120.200 0.191 0.000 2.301 1305 E HA 0.565 4.894 4.350 -0.036 0.000 0.275 1305 E C -0.825 175.978 176.600 0.338 0.000 1.030 1305 E CA -0.694 55.802 56.400 0.159 0.000 0.852 1305 E CB 1.790 31.554 29.700 0.107 0.000 1.060 1305 E HN 0.758 nan 8.360 nan 0.000 0.401 1306 S N 2.060 117.950 115.700 0.318 0.000 2.595 1306 S HA 0.414 4.862 4.470 -0.036 0.000 0.281 1306 S C -0.780 173.987 174.600 0.278 0.000 1.117 1306 S CA -1.133 57.320 58.200 0.422 0.000 0.873 1306 S CB 1.919 65.559 63.200 0.735 0.000 1.108 1306 S HN 0.308 nan 8.310 nan 0.000 0.477 1307 E N 1.163 121.499 120.200 0.227 0.000 2.133 1307 E HA 0.569 4.898 4.350 -0.036 0.000 0.274 1307 E C -1.154 175.524 176.600 0.130 0.000 0.930 1307 E CA -0.564 55.928 56.400 0.153 0.000 0.770 1307 E CB 1.859 31.620 29.700 0.101 0.000 1.104 1307 E HN 0.495 nan 8.360 nan 0.000 0.403 1308 V N 3.894 123.899 119.914 0.152 0.000 2.604 1308 V HA 0.262 4.360 4.120 -0.036 0.000 0.305 1308 V C -1.010 175.177 176.094 0.154 0.000 1.043 1308 V CA -0.951 61.433 62.300 0.141 0.000 0.888 1308 V CB 1.652 33.616 31.823 0.236 0.000 0.995 1308 V HN 0.567 nan 8.190 nan 0.000 0.429 1309 Y N 5.540 125.837 120.300 -0.005 0.000 2.331 1309 Y HA 0.635 5.163 4.550 -0.037 0.000 0.338 1309 Y C -0.524 175.387 175.900 0.018 0.000 0.992 1309 Y CA -1.190 56.909 58.100 -0.003 0.000 1.121 1309 Y CB 1.210 39.645 38.460 -0.042 0.000 1.184 1309 Y HN 0.420 nan 8.280 nan 0.000 0.469 1310 I N 7.757 127.889 120.570 -0.730 0.000 2.321 1310 I HA 0.194 4.342 4.170 -0.036 0.000 0.291 1310 I C -0.043 175.517 176.117 -0.927 0.000 0.998 1310 I CA -0.706 60.263 61.300 -0.551 0.000 1.227 1310 I CB 0.875 38.739 38.000 -0.227 0.000 1.368 1310 I HN 0.633 nan 8.210 nan 0.000 0.466 1311 L N 4.935 125.842 121.223 -0.527 0.000 2.506 1311 L HA 0.012 4.330 4.340 -0.036 0.000 0.281 1311 L C 1.200 177.956 176.870 -0.190 0.000 1.228 1311 L CA 0.184 54.855 54.840 -0.281 0.000 0.850 1311 L CB 0.249 42.273 42.059 -0.059 0.000 1.110 1311 L HN 0.757 nan 8.230 nan 0.000 0.496 1312 S N 1.994 117.662 115.700 -0.053 0.000 2.645 1312 S HA 0.117 4.565 4.470 -0.036 0.000 0.266 1312 S C 0.906 175.505 174.600 -0.002 0.000 1.258 1312 S CA -0.594 57.594 58.200 -0.020 0.000 0.990 1312 S CB 1.535 64.758 63.200 0.039 0.000 0.967 1312 S HN 0.726 nan 8.310 nan 0.000 0.556 1313 K N 0.600 121.004 120.400 0.006 0.000 2.044 1313 K HA -0.205 4.094 4.320 -0.036 0.000 0.210 1313 K C 1.131 177.746 176.600 0.026 0.000 1.049 1313 K CA 2.189 58.494 56.287 0.030 0.000 0.927 1313 K CB -0.561 31.966 32.500 0.045 0.000 0.713 1313 K HN 0.735 nan 8.250 nan 0.000 0.443 1314 D N 0.659 121.074 120.400 0.024 0.000 2.218 1314 D HA -0.133 4.485 4.640 -0.036 0.000 0.204 1314 D C 1.051 177.368 176.300 0.027 0.000 0.976 1314 D CA 1.031 55.045 54.000 0.023 0.000 0.853 1314 D CB -0.036 40.778 40.800 0.023 0.000 0.939 1314 D HN 0.462 nan 8.370 nan 0.000 0.481 1315 E N -0.062 120.160 120.200 0.037 0.000 2.512 1315 E HA 0.163 4.492 4.350 -0.036 0.000 0.195 1315 E C 1.025 177.641 176.600 0.028 0.000 1.083 1315 E CA 0.119 56.544 56.400 0.043 0.000 0.873 1315 E CB 0.074 29.823 29.700 0.082 0.000 0.897 1315 E HN 0.282 nan 8.360 nan 0.000 0.514 1316 G N 0.582 109.394 108.800 0.021 0.000 2.136 1316 G HA2 -0.248 3.690 3.960 -0.036 0.000 0.242 1316 G HA3 -0.248 3.690 3.960 -0.036 0.000 0.242 1316 G C 0.447 175.353 174.900 0.011 0.000 0.989 1316 G CA -0.115 44.994 45.100 0.015 0.000 0.682 1316 G HN 0.501 nan 8.290 nan 0.000 0.522 1317 G N -0.829 107.975 108.800 0.007 0.000 2.695 1317 G HA2 0.642 4.580 3.960 -0.036 0.000 0.213 1317 G HA3 0.642 4.580 3.960 -0.036 0.000 0.213 1317 G C 0.414 175.315 174.900 0.002 0.000 1.406 1317 G CA -0.714 44.380 45.100 -0.009 0.000 1.049 1317 G HN 0.504 nan 8.290 nan 0.000 0.573 1318 R N -0.931 119.550 120.500 -0.031 0.000 2.784 1318 R HA 0.215 4.534 4.340 -0.036 0.000 0.266 1318 R C 0.945 177.226 176.300 -0.032 0.000 1.044 1318 R CA 0.612 56.671 56.100 -0.068 0.000 1.151 1318 R CB 0.269 30.500 30.300 -0.115 0.000 1.037 1318 R HN 0.876 nan 8.270 nan 0.000 0.478 1319 H N -2.620 116.420 119.070 -0.051 0.000 2.885 1319 H HA 0.178 4.713 4.556 -0.035 0.000 0.260 1319 H C -0.101 175.175 175.328 -0.086 0.000 0.985 1319 H CA -0.134 55.877 56.048 -0.061 0.000 1.210 1319 H CB 0.473 30.212 29.762 -0.039 0.000 1.466 1319 H HN 0.501 nan 8.280 nan 0.000 0.493 1320 T N -0.391 113.908 114.554 -0.426 0.000 2.945 1320 T HA 0.471 4.800 4.350 -0.036 0.000 0.286 1320 T C -2.718 171.808 174.700 -0.291 0.000 1.025 1320 T CA -2.259 59.669 62.100 -0.287 0.000 1.039 1320 T CB 2.581 71.285 68.868 -0.274 0.000 1.068 1320 T HN -0.006 nan 8.240 nan 0.000 0.497 1321 P HA 0.396 nan 4.420 nan 0.000 0.274 1321 P C -0.912 176.015 177.300 -0.621 0.000 1.256 1321 P CA -0.533 62.221 63.100 -0.577 0.000 0.795 1321 P CB 0.391 31.667 31.700 -0.707 0.000 1.038 1322 F N -1.661 117.771 119.950 -0.863 0.000 2.654 1322 F HA 0.790 5.294 4.527 -0.037 0.000 0.334 1322 F C -0.753 174.419 175.800 -1.047 0.000 1.078 1322 F CA -1.121 56.401 58.000 -0.796 0.000 0.986 1322 F CB 0.618 39.125 39.000 -0.822 0.000 1.362 1322 F HN 0.132 nan 8.300 nan 0.000 0.498 1323 F N -0.778 119.278 119.950 0.175 0.000 3.117 1323 F HA 0.418 4.923 4.527 -0.035 0.000 0.345 1323 F C 1.411 177.338 175.800 0.211 0.000 1.278 1323 F CA -0.890 57.159 58.000 0.081 0.000 1.035 1323 F CB 0.703 39.680 39.000 -0.038 0.000 1.531 1323 F HN 0.504 nan 8.300 nan 0.000 0.515 1324 K N 0.339 120.945 120.400 0.344 0.000 2.059 1324 K HA -0.077 4.222 4.320 -0.036 0.000 0.212 1324 K C 1.272 178.005 176.600 0.221 0.000 1.050 1324 K CA 1.812 58.240 56.287 0.235 0.000 0.927 1324 K CB -0.960 31.632 32.500 0.155 0.000 0.714 1324 K HN 0.691 nan 8.250 nan 0.000 0.447 1325 G N 1.039 109.962 108.800 0.204 0.000 3.562 1325 G HA2 -0.033 3.906 3.960 -0.036 0.000 0.279 1325 G HA3 -0.033 3.906 3.960 -0.036 0.000 0.279 1325 G C -0.767 174.233 174.900 0.166 0.000 1.314 1325 G CA -0.597 44.592 45.100 0.149 0.000 1.189 1325 G HN 0.290 nan 8.290 nan 0.000 0.562 1326 Y N 2.302 122.627 120.300 0.042 0.000 2.632 1326 Y HA 0.230 4.758 4.550 -0.037 0.000 0.329 1326 Y C 0.926 176.757 175.900 -0.115 0.000 1.174 1326 Y CA -1.223 56.811 58.100 -0.109 0.000 1.469 1326 Y CB 0.502 38.718 38.460 -0.407 0.000 1.242 1326 Y HN 0.386 nan 8.280 nan 0.000 0.540 1327 R N 7.862 128.105 120.500 -0.428 0.000 2.547 1327 R HA 0.469 4.787 4.340 -0.036 0.000 0.280 1327 R C -3.136 172.847 176.300 -0.529 0.000 1.630 1327 R CA -1.531 54.334 56.100 -0.391 0.000 1.470 1327 R CB 0.745 30.958 30.300 -0.145 0.000 1.178 1327 R HN 0.390 nan 8.270 nan 0.000 0.591 1328 P HA 0.256 nan 4.420 nan 0.000 0.310 1328 P C -0.903 176.095 177.300 -0.503 0.000 1.309 1328 P CA -0.575 62.097 63.100 -0.714 0.000 0.769 1328 P CB 0.882 31.977 31.700 -1.009 0.000 1.327 1329 Q N -0.420 119.137 119.800 -0.406 0.000 2.243 1329 Q HA 0.415 4.733 4.340 -0.036 0.000 0.252 1329 Q C -0.889 174.892 176.000 -0.364 0.000 0.909 1329 Q CA -0.084 55.586 55.803 -0.221 0.000 0.922 1329 Q CB 0.582 29.278 28.738 -0.070 0.000 1.215 1329 Q HN 0.357 nan 8.270 nan 0.000 0.427 1330 F N 1.796 121.765 119.950 0.031 0.000 2.388 1330 F HA 0.220 4.726 4.527 -0.034 0.000 0.358 1330 F C -0.164 175.666 175.800 0.050 0.000 1.122 1330 F CA -0.926 57.095 58.000 0.036 0.000 1.056 1330 F CB 0.716 39.729 39.000 0.022 0.000 1.155 1330 F HN 0.399 nan 8.300 nan 0.000 0.461 1331 Y N 4.286 124.590 120.300 0.007 0.000 2.425 1331 Y HA 0.453 4.982 4.550 -0.036 0.000 0.347 1331 Y C -1.260 174.566 175.900 -0.123 0.000 0.976 1331 Y CA -0.855 57.251 58.100 0.009 0.000 1.190 1331 Y CB 0.254 38.717 38.460 0.004 0.000 1.136 1331 Y HN 0.436 nan 8.280 nan 0.000 0.517 1332 F N 6.938 126.796 119.950 -0.152 0.000 2.325 1332 F HA 0.438 4.942 4.527 -0.038 0.000 0.369 1332 F C 0.737 176.411 175.800 -0.210 0.000 1.095 1332 F CA -0.640 57.313 58.000 -0.077 0.000 1.082 1332 F CB 0.951 39.907 39.000 -0.073 0.000 1.289 1332 F HN 0.679 nan 8.300 nan 0.000 0.462 1333 R N -0.300 120.240 120.500 0.066 0.000 1.247 1333 R HA -0.268 4.051 4.340 -0.036 0.000 0.031 1333 R C 1.292 177.605 176.300 0.022 0.000 0.958 1333 R CA 2.240 58.383 56.100 0.071 0.000 1.979 1333 R CB -1.576 28.755 30.300 0.051 0.000 0.185 1333 R HN 0.648 nan 8.270 nan 0.000 0.728 1334 T N -3.939 110.484 114.554 -0.218 0.000 3.130 1334 T HA 0.246 4.574 4.350 -0.036 0.000 0.288 1334 T C 0.147 174.656 174.700 -0.317 0.000 0.936 1334 T CA 0.589 62.611 62.100 -0.130 0.000 0.897 1334 T CB 1.359 70.213 68.868 -0.024 0.000 1.178 1334 T HN 0.332 nan 8.240 nan 0.000 0.543 1335 T N 1.145 115.269 114.554 -0.717 0.000 2.932 1335 T HA 0.421 4.749 4.350 -0.036 0.000 0.318 1335 T C -2.136 172.346 174.700 -0.362 0.000 1.265 1335 T CA -0.496 61.375 62.100 -0.381 0.000 1.036 1335 T CB 1.771 70.575 68.868 -0.108 0.000 1.209 1335 T HN 0.025 nan 8.240 nan 0.000 0.484 1336 D N 2.075 122.473 120.400 -0.003 0.000 2.350 1336 D HA 0.461 5.080 4.640 -0.036 0.000 0.249 1336 D C -0.310 176.057 176.300 0.112 0.000 1.119 1336 D CA 0.225 54.303 54.000 0.129 0.000 0.886 1336 D CB 1.412 42.307 40.800 0.158 0.000 1.195 1336 D HN 0.295 nan 8.370 nan 0.000 0.437 1337 V N 2.235 122.249 119.914 0.166 0.000 2.588 1337 V HA 0.273 4.372 4.120 -0.036 0.000 0.304 1337 V C 0.490 176.659 176.094 0.125 0.000 1.042 1337 V CA -0.843 61.509 62.300 0.087 0.000 0.877 1337 V CB 2.133 33.994 31.823 0.064 0.000 0.996 1337 V HN 0.452 nan 8.190 nan 0.000 0.425 1338 T N 3.396 117.950 114.554 0.001 0.000 2.907 1338 T HA 0.619 4.948 4.350 -0.036 0.000 0.298 1338 T C 0.400 175.137 174.700 0.063 0.000 1.017 1338 T CA 0.251 62.375 62.100 0.040 0.000 1.118 1338 T CB 1.196 70.048 68.868 -0.026 0.000 0.948 1338 T HN 1.108 nan 8.240 nan 0.000 0.531 1339 G N 1.177 110.090 108.800 0.188 0.000 2.692 1339 G HA2 0.654 4.592 3.960 -0.036 0.000 0.291 1339 G HA3 0.654 4.592 3.960 -0.036 0.000 0.291 1339 G C -0.721 174.230 174.900 0.085 0.000 1.423 1339 G CA -0.840 44.300 45.100 0.066 0.000 0.843 1339 G HN 0.796 nan 8.290 nan 0.000 0.486 1340 T N -1.300 113.224 114.554 -0.051 0.000 2.918 1340 T HA 0.735 5.064 4.350 -0.036 0.000 0.286 1340 T C 0.206 174.869 174.700 -0.062 0.000 1.026 1340 T CA -0.758 61.323 62.100 -0.033 0.000 1.031 1340 T CB 1.695 70.538 68.868 -0.041 0.000 1.046 1340 T HN 1.080 nan 8.240 nan 0.000 0.479 1341 I N -1.183 119.395 120.570 0.013 0.000 2.693 1341 I HA 0.703 4.852 4.170 -0.036 0.000 0.303 1341 I C -1.000 175.141 176.117 0.041 0.000 1.025 1341 I CA -1.073 60.245 61.300 0.030 0.000 1.086 1341 I CB 2.254 40.350 38.000 0.162 0.000 1.268 1341 I HN 0.701 nan 8.210 nan 0.000 0.440 1342 E N 5.617 125.830 120.200 0.021 0.000 2.158 1342 E HA 0.518 4.846 4.350 -0.036 0.000 0.271 1342 E C -1.056 175.588 176.600 0.073 0.000 0.911 1342 E CA -0.745 55.679 56.400 0.041 0.000 0.767 1342 E CB 2.715 32.418 29.700 0.005 0.000 1.120 1342 E HN 0.518 nan 8.360 nan 0.000 0.405 1343 L N 3.849 125.131 121.223 0.098 0.000 2.418 1343 L HA 0.364 4.683 4.340 -0.036 0.000 0.265 1343 L C -1.926 174.986 176.870 0.071 0.000 1.143 1343 L CA -2.026 52.876 54.840 0.103 0.000 0.809 1343 L CB 0.041 42.170 42.059 0.117 0.000 1.124 1343 L HN 0.290 nan 8.230 nan 0.000 0.456 1344 P HA 0.004 nan 4.420 nan 0.000 0.268 1344 P C -0.547 176.778 177.300 0.043 0.000 1.208 1344 P CA -0.345 62.783 63.100 0.047 0.000 0.777 1344 P CB 0.352 32.077 31.700 0.042 0.000 0.875 1345 E N 0.986 121.208 120.200 0.036 0.000 2.558 1345 E HA 0.072 4.401 4.350 -0.036 0.000 0.255 1345 E C 1.319 177.939 176.600 0.034 0.000 0.968 1345 E CA 1.655 58.076 56.400 0.035 0.000 0.939 1345 E CB -0.141 29.576 29.700 0.028 0.000 0.921 1345 E HN 0.808 nan 8.360 nan 0.000 0.477 1346 G N 2.393 111.219 108.800 0.043 0.000 2.217 1346 G HA2 -0.278 3.660 3.960 -0.036 0.000 0.246 1346 G HA3 -0.278 3.660 3.960 -0.036 0.000 0.246 1346 G C 0.287 175.220 174.900 0.055 0.000 0.990 1346 G CA 0.140 45.267 45.100 0.045 0.000 0.627 1346 G HN 0.455 nan 8.290 nan 0.000 0.522 1347 V N 0.883 120.827 119.914 0.050 0.000 2.465 1347 V HA 0.531 4.630 4.120 -0.036 0.000 0.279 1347 V C 0.979 177.127 176.094 0.091 0.000 1.045 1347 V CA 0.579 62.911 62.300 0.053 0.000 0.938 1347 V CB 1.472 33.307 31.823 0.020 0.000 0.986 1347 V HN 0.444 nan 8.190 nan 0.000 0.467 1348 E N 3.148 123.427 120.200 0.131 0.000 2.500 1348 E HA 0.291 4.619 4.350 -0.036 0.000 0.217 1348 E C 0.108 176.825 176.600 0.194 0.000 0.848 1348 E CA -0.034 56.468 56.400 0.169 0.000 1.217 1348 E CB 1.288 31.100 29.700 0.187 0.000 1.217 1348 E HN 0.652 nan 8.360 nan 0.000 0.573 1349 M N 1.682 121.339 119.600 0.095 0.000 2.457 1349 M HA 0.387 4.846 4.480 -0.036 0.000 0.300 1349 M C -1.883 174.254 176.300 -0.273 0.000 1.141 1349 M CA -0.741 54.444 55.300 -0.192 0.000 0.901 1349 M CB 2.313 34.854 32.600 -0.099 0.000 1.687 1349 M HN -0.265 nan 8.290 nan 0.000 0.449 1350 V N 5.408 124.869 119.914 -0.755 0.000 2.409 1350 V HA 0.491 4.590 4.120 -0.036 0.000 0.291 1350 V C -0.354 175.275 176.094 -0.775 0.000 1.020 1350 V CA -0.532 61.306 62.300 -0.770 0.000 0.848 1350 V CB 1.749 32.774 31.823 -1.329 0.000 0.990 1350 V HN 0.963 nan 8.190 nan 0.000 0.430 1351 M N 5.939 125.307 119.600 -0.387 0.000 2.528 1351 M HA 0.498 4.957 4.480 -0.036 0.000 0.318 1351 M C -2.507 173.631 176.300 -0.270 0.000 1.195 1351 M CA -1.810 53.275 55.300 -0.359 0.000 1.000 1351 M CB 1.919 34.324 32.600 -0.325 0.000 1.615 1351 M HN 0.338 nan 8.290 nan 0.000 0.469 1352 P HA 0.095 nan 4.420 nan 0.000 0.265 1352 P C 0.474 177.686 177.300 -0.146 0.000 1.193 1352 P CA 0.769 63.761 63.100 -0.180 0.000 0.765 1352 P CB 0.435 32.060 31.700 -0.126 0.000 0.823 1353 G N 1.346 110.022 108.800 -0.207 0.000 2.175 1353 G HA2 -0.180 3.759 3.960 -0.036 0.000 0.244 1353 G HA3 -0.180 3.759 3.960 -0.036 0.000 0.244 1353 G C -0.126 174.773 174.900 -0.002 0.000 0.982 1353 G CA -0.324 44.726 45.100 -0.083 0.000 0.641 1353 G HN 0.495 nan 8.290 nan 0.000 0.527 1354 D N 0.977 121.315 120.400 -0.103 0.000 2.304 1354 D HA 0.447 5.066 4.640 -0.036 0.000 0.247 1354 D C 0.341 176.671 176.300 0.050 0.000 1.089 1354 D CA -0.275 53.722 54.000 -0.005 0.000 0.910 1354 D CB 0.534 41.310 40.800 -0.039 0.000 1.199 1354 D HN 0.141 nan 8.370 nan 0.000 0.426 1355 N N 1.404 120.182 118.700 0.129 0.000 2.455 1355 N HA 0.496 5.215 4.740 -0.036 0.000 0.280 1355 N C -0.399 175.159 175.510 0.080 0.000 1.055 1355 N CA -0.261 52.879 53.050 0.149 0.000 0.961 1355 N CB 1.472 40.044 38.487 0.142 0.000 1.121 1355 N HN 0.425 nan 8.380 nan 0.000 0.476 1356 I N 0.108 120.736 120.570 0.096 0.000 2.842 1356 I HA 0.251 4.400 4.170 -0.036 0.000 0.297 1356 I C -1.234 174.956 176.117 0.122 0.000 1.380 1356 I CA -0.790 60.561 61.300 0.085 0.000 1.018 1356 I CB 1.887 39.927 38.000 0.066 0.000 1.311 1356 I HN 0.255 nan 8.210 nan 0.000 0.439 1357 K N 7.724 128.190 120.400 0.110 0.000 2.201 1357 K HA 0.604 4.903 4.320 -0.036 0.000 0.278 1357 K C -0.860 175.822 176.600 0.137 0.000 1.027 1357 K CA -0.507 55.856 56.287 0.128 0.000 0.909 1357 K CB 1.505 34.066 32.500 0.102 0.000 1.062 1357 K HN 0.536 nan 8.250 nan 0.000 0.465 1358 M N -0.499 119.200 119.600 0.165 0.000 2.518 1358 M HA 0.432 4.891 4.480 -0.036 0.000 0.300 1358 M C -0.931 175.401 176.300 0.054 0.000 1.175 1358 M CA -1.277 54.103 55.300 0.133 0.000 0.890 1358 M CB 1.788 34.506 32.600 0.197 0.000 1.710 1358 M HN 0.052 nan 8.290 nan 0.000 0.453 1359 V N 3.078 122.980 119.914 -0.020 0.000 2.364 1359 V HA 0.397 4.496 4.120 -0.036 0.000 0.272 1359 V C -0.116 175.809 176.094 -0.283 0.000 1.036 1359 V CA -0.575 61.642 62.300 -0.138 0.000 0.880 1359 V CB 1.213 32.984 31.823 -0.087 0.000 0.991 1359 V HN 0.710 nan 8.190 nan 0.000 0.460 1360 V N 4.391 123.923 119.914 -0.636 0.000 2.532 1360 V HA 0.536 4.634 4.120 -0.036 0.000 0.295 1360 V C 0.301 175.919 176.094 -0.794 0.000 1.041 1360 V CA -0.267 61.516 62.300 -0.862 0.000 0.926 1360 V CB 2.165 33.083 31.823 -1.508 0.000 0.992 1360 V HN 0.917 nan 8.190 nan 0.000 0.457 1361 T N 5.790 120.030 114.554 -0.522 0.000 2.847 1361 T HA 0.570 4.899 4.350 -0.036 0.000 0.291 1361 T C -0.442 174.080 174.700 -0.295 0.000 0.998 1361 T CA -0.334 61.557 62.100 -0.348 0.000 0.967 1361 T CB 0.819 69.563 68.868 -0.207 0.000 0.954 1361 T HN 0.328 nan 8.240 nan 0.000 0.441 1362 L N 3.462 124.534 121.223 -0.252 0.000 2.357 1362 L HA 0.483 4.802 4.340 -0.036 0.000 0.273 1362 L C 1.733 178.498 176.870 -0.176 0.000 1.080 1362 L CA -0.869 53.843 54.840 -0.212 0.000 0.803 1362 L CB 0.896 42.841 42.059 -0.190 0.000 1.174 1362 L HN 0.648 nan 8.230 nan 0.000 0.443 1363 I N 0.246 120.690 120.570 -0.210 0.000 2.361 1363 I HA -0.196 3.953 4.170 -0.036 0.000 0.251 1363 I C 0.521 176.563 176.117 -0.126 0.000 1.133 1363 I CA 1.011 62.208 61.300 -0.172 0.000 1.413 1363 I CB -0.437 37.459 38.000 -0.173 0.000 1.073 1363 I HN 0.731 nan 8.210 nan 0.000 0.424 1364 H N -2.091 116.950 119.070 -0.048 0.000 2.985 1364 H HA 0.566 5.100 4.556 -0.036 0.000 0.360 1364 H C -2.975 172.301 175.328 -0.088 0.000 1.221 1364 H CA -2.931 53.081 56.048 -0.061 0.000 1.121 1364 H CB -0.008 29.721 29.762 -0.054 0.000 1.854 1364 H HN -0.313 nan 8.280 nan 0.000 0.551 1365 P HA 0.231 nan 4.420 nan 0.000 0.272 1365 P C -0.534 176.756 177.300 -0.017 0.000 1.230 1365 P CA -0.263 62.839 63.100 0.003 0.000 0.788 1365 P CB 0.723 32.393 31.700 -0.049 0.000 0.949 1366 I N 0.198 120.680 120.570 -0.147 0.000 2.607 1366 I HA 0.298 4.447 4.170 -0.036 0.000 0.290 1366 I C -0.135 175.837 176.117 -0.242 0.000 1.129 1366 I CA -1.138 60.019 61.300 -0.239 0.000 1.042 1366 I CB 1.763 39.454 38.000 -0.515 0.000 1.242 1366 I HN 0.346 nan 8.210 nan 0.000 0.421 1367 A N 8.521 131.229 122.820 -0.187 0.000 2.545 1367 A HA 0.474 4.773 4.320 -0.036 0.000 0.253 1367 A C 0.069 177.572 177.584 -0.134 0.000 1.074 1367 A CA 0.394 52.344 52.037 -0.145 0.000 0.760 1367 A CB -0.131 18.802 19.000 -0.112 0.000 1.005 1367 A HN 0.748 nan 8.150 nan 0.000 0.506 1368 M N 1.587 121.149 119.600 -0.063 0.000 2.643 1368 M HA 0.728 5.187 4.480 -0.036 0.000 0.276 1368 M C -1.615 174.709 176.300 0.041 0.000 1.200 1368 M CA -0.770 54.502 55.300 -0.046 0.000 0.863 1368 M CB 2.116 34.605 32.600 -0.186 0.000 1.711 1368 M HN 0.603 nan 8.290 nan 0.000 0.492 1369 D N -1.305 119.098 120.400 0.006 0.000 2.610 1369 D HA 0.492 5.111 4.640 -0.036 0.000 0.271 1369 D C -1.568 174.724 176.300 -0.012 0.000 1.174 1369 D CA -0.727 53.275 54.000 0.002 0.000 0.949 1369 D CB 0.939 41.752 40.800 0.021 0.000 1.430 1369 D HN 0.564 nan 8.370 nan 0.000 0.467 1370 D N -0.612 119.782 120.400 -0.011 0.000 2.533 1370 D HA 0.360 4.979 4.640 -0.036 0.000 0.236 1370 D C 1.453 177.766 176.300 0.022 0.000 1.137 1370 D CA 1.967 55.971 54.000 0.007 0.000 0.867 1370 D CB 0.842 41.648 40.800 0.009 0.000 1.170 1370 D HN 0.870 nan 8.370 nan 0.000 0.474 1371 G N 1.600 110.421 108.800 0.036 0.000 2.213 1371 G HA2 -0.233 3.705 3.960 -0.036 0.000 0.226 1371 G HA3 -0.233 3.705 3.960 -0.036 0.000 0.226 1371 G C 0.291 175.218 174.900 0.045 0.000 0.992 1371 G CA -0.265 44.857 45.100 0.037 0.000 0.632 1371 G HN 0.522 nan 8.290 nan 0.000 0.511 1372 L N 2.220 123.480 121.223 0.061 0.000 2.513 1372 L HA 0.374 4.692 4.340 -0.036 0.000 0.272 1372 L C 0.710 177.663 176.870 0.139 0.000 1.187 1372 L CA 0.342 55.242 54.840 0.101 0.000 0.895 1372 L CB 0.190 42.322 42.059 0.123 0.000 1.147 1372 L HN 0.293 nan 8.230 nan 0.000 0.483 1373 R N 5.518 126.069 120.500 0.085 0.000 2.457 1373 R HA 0.533 4.852 4.340 -0.036 0.000 0.284 1373 R C -0.810 175.515 176.300 0.043 0.000 1.024 1373 R CA -0.325 55.773 56.100 -0.003 0.000 1.025 1373 R CB 1.268 31.538 30.300 -0.048 0.000 1.063 1373 R HN 0.552 nan 8.270 nan 0.000 0.493 1374 F N -0.941 118.933 119.950 -0.127 0.000 2.626 1374 F HA 0.796 5.299 4.527 -0.039 0.000 0.311 1374 F C -1.066 174.666 175.800 -0.113 0.000 1.088 1374 F CA -1.435 56.406 58.000 -0.266 0.000 0.949 1374 F CB 1.188 39.719 39.000 -0.781 0.000 1.322 1374 F HN 0.481 nan 8.300 nan 0.000 0.461 1375 A N 1.936 124.819 122.820 0.105 0.000 2.294 1375 A HA 0.836 5.134 4.320 -0.036 0.000 0.330 1375 A C -0.915 176.754 177.584 0.142 0.000 1.133 1375 A CA -0.887 51.177 52.037 0.044 0.000 0.836 1375 A CB 0.774 19.762 19.000 -0.021 0.000 1.190 1375 A HN 0.766 nan 8.150 nan 0.000 0.492 1376 I N 1.510 122.095 120.570 0.025 0.000 2.378 1376 I HA 0.429 4.578 4.170 -0.036 0.000 0.291 1376 I C 0.012 176.052 176.117 -0.128 0.000 0.992 1376 I CA -0.326 60.911 61.300 -0.105 0.000 1.154 1376 I CB 1.433 39.375 38.000 -0.097 0.000 1.315 1376 I HN 0.668 nan 8.210 nan 0.000 0.448 1377 R N 5.152 125.543 120.500 -0.182 0.000 2.744 1377 R HA 0.575 4.893 4.340 -0.036 0.000 0.279 1377 R C -1.130 175.089 176.300 -0.135 0.000 0.977 1377 R CA -0.956 55.073 56.100 -0.118 0.000 0.906 1377 R CB 2.575 32.836 30.300 -0.065 0.000 1.197 1377 R HN 0.553 nan 8.270 nan 0.000 0.463 1378 E N 0.620 120.770 120.200 -0.083 0.000 2.186 1378 E HA 0.231 4.560 4.350 -0.036 0.000 0.255 1378 E C -0.063 176.513 176.600 -0.041 0.000 0.881 1378 E CA -0.494 55.866 56.400 -0.067 0.000 0.752 1378 E CB 1.809 31.487 29.700 -0.037 0.000 1.176 1378 E HN 0.912 nan 8.360 nan 0.000 0.421 1379 G N 2.552 111.331 108.800 -0.036 0.000 2.356 1379 G HA2 -0.273 3.666 3.960 -0.036 0.000 0.296 1379 G HA3 -0.273 3.666 3.960 -0.036 0.000 0.296 1379 G C 0.941 175.832 174.900 -0.015 0.000 1.022 1379 G CA 0.746 45.835 45.100 -0.018 0.000 0.961 1379 G HN 1.113 nan 8.290 nan 0.000 0.510 1380 G N -1.193 107.596 108.800 -0.019 0.000 2.253 1380 G HA2 -0.292 3.646 3.960 -0.036 0.000 0.251 1380 G HA3 -0.292 3.646 3.960 -0.036 0.000 0.251 1380 G C 0.567 175.439 174.900 -0.048 0.000 0.998 1380 G CA 1.073 46.157 45.100 -0.027 0.000 0.621 1380 G HN 1.258 nan 8.290 nan 0.000 0.524 1381 R N 1.483 121.960 120.500 -0.040 0.000 2.265 1381 R HA 0.505 4.824 4.340 -0.036 0.000 0.314 1381 R C -0.162 176.106 176.300 -0.054 0.000 1.053 1381 R CA 0.099 56.175 56.100 -0.041 0.000 0.931 1381 R CB 0.341 30.627 30.300 -0.023 0.000 1.024 1381 R HN 0.111 nan 8.270 nan 0.000 0.457 1382 T N 4.119 118.635 114.554 -0.062 0.000 2.814 1382 T HA 0.117 4.445 4.350 -0.036 0.000 0.297 1382 T C 0.977 175.651 174.700 -0.043 0.000 0.956 1382 T CA -0.325 61.736 62.100 -0.064 0.000 1.123 1382 T CB 1.044 69.869 68.868 -0.072 0.000 0.902 1382 T HN 0.599 nan 8.240 nan 0.000 0.528 1383 V N 0.611 120.499 119.914 -0.044 0.000 3.398 1383 V HA 0.700 4.799 4.120 -0.036 0.000 0.298 1383 V C 0.606 176.671 176.094 -0.049 0.000 1.496 1383 V CA 0.350 62.628 62.300 -0.037 0.000 1.044 1383 V CB -0.010 31.800 31.823 -0.021 0.000 0.880 1383 V HN 0.930 nan 8.190 nan 0.000 0.443 1384 G N -0.715 108.060 108.800 -0.042 0.000 2.550 1384 G HA2 0.831 4.769 3.960 -0.036 0.000 0.293 1384 G HA3 0.831 4.769 3.960 -0.036 0.000 0.293 1384 G C -1.597 173.285 174.900 -0.030 0.000 1.402 1384 G CA -0.125 44.950 45.100 -0.041 0.000 0.784 1384 G HN 1.157 nan 8.290 nan 0.000 0.482 1385 A N -1.371 121.426 122.820 -0.038 0.000 2.549 1385 A HA 0.981 5.280 4.320 -0.036 0.000 0.297 1385 A C -0.151 177.237 177.584 -0.325 0.000 1.061 1385 A CA 0.133 52.075 52.037 -0.159 0.000 0.690 1385 A CB 1.794 20.748 19.000 -0.076 0.000 1.287 1385 A HN 2.188 nan 8.150 nan 0.000 0.402 1386 G N -0.602 107.673 108.800 -0.875 0.000 2.642 1386 G HA2 0.656 4.595 3.960 -0.036 0.000 0.293 1386 G HA3 0.656 4.595 3.960 -0.036 0.000 0.293 1386 G C -1.627 172.742 174.900 -0.886 0.000 1.341 1386 G CA -0.612 43.805 45.100 -1.138 0.000 0.916 1386 G HN 1.237 nan 8.290 nan 0.000 0.474 1387 V N 0.507 120.251 119.914 -0.283 0.000 2.531 1387 V HA 0.371 4.470 4.120 -0.036 0.000 0.301 1387 V C 0.104 176.337 176.094 0.233 0.000 1.034 1387 V CA -0.814 61.478 62.300 -0.013 0.000 0.865 1387 V CB 1.663 33.480 31.823 -0.009 0.000 0.995 1387 V HN 0.615 nan 8.190 nan 0.000 0.424 1388 V N 4.173 124.240 119.914 0.255 0.000 2.485 1388 V HA 0.275 4.373 4.120 -0.036 0.000 0.287 1388 V C 1.193 177.369 176.094 0.137 0.000 1.022 1388 V CA 1.002 63.410 62.300 0.180 0.000 1.067 1388 V CB 0.721 32.515 31.823 -0.048 0.000 0.967 1388 V HN 1.110 nan 8.190 nan 0.000 0.479 1389 A N 4.970 127.895 122.820 0.175 0.000 2.035 1389 A HA 0.326 4.625 4.320 -0.036 0.000 0.208 1389 A C 0.882 178.516 177.584 0.083 0.000 1.206 1389 A CA 0.356 52.464 52.037 0.118 0.000 0.773 1389 A CB 0.320 19.397 19.000 0.129 0.000 0.878 1389 A HN 0.672 nan 8.150 nan 0.000 0.469 1390 K N -0.282 120.177 120.400 0.098 0.000 2.575 1390 K HA 0.470 4.769 4.320 -0.036 0.000 0.255 1390 K C -1.783 174.839 176.600 0.036 0.000 0.953 1390 K CA -0.464 55.850 56.287 0.045 0.000 0.840 1390 K CB 2.029 34.553 32.500 0.040 0.000 1.303 1390 K HN -0.032 nan 8.250 nan 0.000 0.438 1391 V N 6.052 125.926 119.914 -0.068 0.000 2.686 1391 V HA 0.206 4.305 4.120 -0.036 0.000 0.295 1391 V C 0.770 176.784 176.094 -0.133 0.000 1.055 1391 V CA 0.108 62.294 62.300 -0.189 0.000 1.050 1391 V CB 1.194 32.681 31.823 -0.560 0.000 0.984 1391 V HN 0.779 nan 8.190 nan 0.000 0.482 1392 L N 2.345 123.515 121.223 -0.089 0.000 3.569 1392 L HA 0.288 4.607 4.340 -0.036 0.000 0.178 1392 L C 1.357 178.221 176.870 -0.011 0.000 1.286 1392 L CA 0.196 55.013 54.840 -0.038 0.000 0.952 1392 L CB -0.325 41.720 42.059 -0.024 0.000 1.540 1392 L HN 0.723 nan 8.230 nan 0.000 0.661 1393 S N 0.000 115.702 115.700 0.004 0.000 2.498 1393 S HA 0.000 4.449 4.470 -0.036 0.000 0.327 1393 S CA 0.000 58.202 58.200 0.003 0.000 1.107 1393 S CB 0.000 63.212 63.200 0.019 0.000 0.593 1393 S HN 0.000 nan 8.310 nan 0.000 0.517