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 2eae_1_A DATA FIRST_RESID 12 DATA SEQUENCE DTSKDDWLWY KQPASQTDAT ATAGGNYGNP DNNRWQQTTL PFGNGKIGGT DATA SEQUENCE VWGEVSRERV TFNEETLWTG GPGSSTSYNG GNNETKGQNG ATLRALNKQL DATA SEQUENCE ANGAETVNPG NLTGGENAAE QGNYLNWGDI YLDYGFNDTT VTEYRRDLNL DATA SEQUENCE SKGKADVTFK HDGVTYTREY FASNPDNVMV ARLTASKAGK LNFNVSMPTN DATA SEQUENCE TNYSKTGETT TVKGDTLTVK GALGNNGLLY NSQIKVVLDN GEGTLSEGSD DATA SEQUENCE GASLKVSDAK AVTLYIAAAT DYKQKYPSYR TGETAAEVNT RVAKVVQDAA DATA SEQUENCE NKGYTAVKKA HIDDHSAIYD RVKIDLGQSG HSSDGAVATD ALLKAYQRGS DATA SEQUENCE ATTAQKRELE TLVYKYGRYL TIGSSRENSQ LPSNLQGIWS VTAGDNAHGN DATA SEQUENCE TPWGSDFHMN VNLQMNYWPT YSANMGELAE PLIEYVEGLV KPGRVTAKVY DATA SEQUENCE AGAETTNPET TPIGEGEGYM AHTENTAYGW TAPGQSFSWG WSPAAVPWIL DATA SEQUENCE QNVYEAYEYS GDPALLDRVY ALLKEESHFY VNYMLHKAGS SSGDRLTTGV DATA SEQUENCE AYSPEQGPLG TDGNTYESSL VWQMLNDAIE AAKAKGDPDG LVGNTTDCSA DATA SEQUENCE DNWAKNDSGN FTDANANRSW SCAKSLLKPI EVGDSGQIKE WYFEGALGKK DATA SEQUENCE KDGSTISGYQ ADNQHRHMSH LLGLFPGDLI TIDNSEYMDA AKTSLRYRCF DATA SEQUENCE KGNVLQSNTG WAIGQRINSW ARTGDGNTTY QLVELQLKNA MYANLFDYHA DATA SEQUENCE PFQIAGNFGN TSGVDEMLLQ SNSTFTDTAG KKYVNYTNIL PALPDAWAGG DATA SEQUENCE SVSGLVARGN FTVGTTWKNG KATEVRLTSN KGKQAAVKIT AGGAQNYEVK DATA SEQUENCE NGDTAVNAKV VTNADGASLL VFDTTAGTTY TITKKAS 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 12 D HA 0.000 nan 4.640 nan 0.000 0.175 12 D C 0.000 176.312 176.300 0.021 0.000 2.045 12 D CA 0.000 54.004 54.000 0.007 0.000 0.868 12 D CB 0.000 40.794 40.800 -0.010 0.000 0.688 13 T N -0.346 114.229 114.554 0.034 0.000 3.134 13 T HA 0.136 4.487 4.350 0.001 0.000 0.260 13 T C 1.691 176.373 174.700 -0.030 0.000 1.027 13 T CA 0.560 62.702 62.100 0.071 0.000 0.913 13 T CB 0.145 69.146 68.868 0.221 0.000 1.046 13 T HN 0.226 nan 8.240 nan 0.000 0.553 14 S N 2.075 117.710 115.700 -0.109 0.000 2.419 14 S HA -0.087 4.383 4.470 0.001 0.000 0.233 14 S C 1.645 176.055 174.600 -0.317 0.000 1.016 14 S CA 0.639 58.673 58.200 -0.275 0.000 0.974 14 S CB -0.422 62.644 63.200 -0.223 0.000 0.786 14 S HN 0.614 nan 8.310 nan 0.000 0.492 15 K N 0.903 121.215 120.400 -0.147 0.000 2.374 15 K HA 0.249 4.570 4.320 0.001 0.000 0.196 15 K C -0.591 176.000 176.600 -0.015 0.000 1.023 15 K CA -0.131 56.095 56.287 -0.101 0.000 1.103 15 K CB 0.198 32.667 32.500 -0.053 0.000 0.848 15 K HN 0.383 nan 8.250 nan 0.000 0.528 16 D N 1.697 122.116 120.400 0.032 0.000 2.344 16 D HA 0.054 4.694 4.640 0.001 0.000 0.244 16 D C -0.351 176.051 176.300 0.170 0.000 1.134 16 D CA 0.050 54.132 54.000 0.136 0.000 0.930 16 D CB 0.752 41.679 40.800 0.212 0.000 1.175 16 D HN -0.028 nan 8.370 nan 0.000 0.437 17 D N 1.086 121.636 120.400 0.250 0.000 2.295 17 D HA 0.153 4.794 4.640 0.001 0.000 0.248 17 D C -0.281 176.246 176.300 0.379 0.000 1.154 17 D CA -0.100 54.067 54.000 0.279 0.000 0.857 17 D CB 0.553 41.536 40.800 0.305 0.000 1.117 17 D HN 0.172 nan 8.370 nan 0.000 0.468 18 W N 2.092 123.410 121.300 0.029 0.000 2.666 18 W HA 0.432 5.092 4.660 0.001 0.000 0.334 18 W C -0.266 176.258 176.519 0.007 0.000 1.051 18 W CA -0.809 56.489 57.345 -0.080 0.000 1.224 18 W CB 0.880 30.167 29.460 -0.287 0.000 1.405 18 W HN 0.105 nan 8.180 nan 0.000 0.513 19 L N 4.749 126.017 121.223 0.076 0.000 2.295 19 L HA 0.568 4.909 4.340 0.001 0.000 0.285 19 L C -0.348 176.504 176.870 -0.030 0.000 1.035 19 L CA -0.705 54.090 54.840 -0.076 0.000 0.806 19 L CB 0.779 42.700 42.059 -0.229 0.000 1.214 19 L HN 0.444 nan 8.230 nan 0.000 0.426 20 W N 3.006 123.980 121.300 -0.544 0.000 3.217 20 W HA 0.593 5.253 4.660 0.001 0.000 0.323 20 W C -2.533 173.510 176.519 -0.793 0.000 1.216 20 W CA -1.064 56.025 57.345 -0.426 0.000 1.194 20 W CB 0.667 30.087 29.460 -0.067 0.000 1.397 20 W HN 0.317 nan 8.180 nan 0.000 0.537 21 Y N 1.556 121.924 120.300 0.113 0.000 2.524 21 Y HA 0.329 4.879 4.550 0.001 0.000 0.347 21 Y C 0.889 176.916 175.900 0.212 0.000 1.005 21 Y CA -1.246 56.855 58.100 0.003 0.000 1.025 21 Y CB 2.145 40.586 38.460 -0.031 0.000 1.275 21 Y HN 0.176 nan 8.280 nan 0.000 0.460 22 K N 1.768 122.327 120.400 0.265 0.000 2.437 22 K HA 0.136 4.457 4.320 0.001 0.000 0.198 22 K C -0.327 176.414 176.600 0.234 0.000 1.024 22 K CA 0.210 56.688 56.287 0.318 0.000 1.148 22 K CB 0.042 32.654 32.500 0.187 0.000 0.860 22 K HN 0.750 nan 8.250 nan 0.000 0.515 23 Q N -0.939 118.939 119.800 0.130 0.000 2.472 23 Q HA 0.419 4.760 4.340 0.001 0.000 0.281 23 Q C -3.267 172.590 176.000 -0.237 0.000 0.997 23 Q CA -2.320 53.292 55.803 -0.318 0.000 0.828 23 Q CB 1.462 30.084 28.738 -0.195 0.000 1.443 23 Q HN -0.257 nan 8.270 nan 0.000 0.390 24 P HA 0.064 nan 4.420 nan 0.000 0.270 24 P C 0.436 177.689 177.300 -0.078 0.000 1.227 24 P CA 0.839 63.880 63.100 -0.099 0.000 0.788 24 P CB 0.316 31.943 31.700 -0.121 0.000 0.926 25 A N 1.854 124.652 122.820 -0.037 0.000 1.892 25 A HA -0.249 4.072 4.320 0.001 0.000 0.218 25 A C 2.218 179.777 177.584 -0.042 0.000 1.188 25 A CA 2.809 54.763 52.037 -0.138 0.000 0.631 25 A CB -2.052 16.825 19.000 -0.205 0.000 0.822 25 A HN 0.653 nan 8.150 nan 0.000 0.447 26 S N -0.815 114.948 115.700 0.104 0.000 2.420 26 S HA -0.245 4.226 4.470 0.001 0.000 0.237 26 S C 1.534 176.128 174.600 -0.010 0.000 1.023 26 S CA 1.687 59.940 58.200 0.088 0.000 0.991 26 S CB -0.386 62.864 63.200 0.083 0.000 0.792 26 S HN 0.727 nan 8.310 nan 0.000 0.488 27 Q N 0.632 120.394 119.800 -0.063 0.000 2.219 27 Q HA 0.248 4.588 4.340 0.001 0.000 0.209 27 Q C -0.468 175.478 176.000 -0.090 0.000 0.854 27 Q CA -0.066 55.688 55.803 -0.082 0.000 0.960 27 Q CB 0.923 29.592 28.738 -0.114 0.000 1.116 27 Q HN 0.424 nan 8.270 nan 0.000 0.500 28 T N 1.198 115.683 114.554 -0.115 0.000 2.889 28 T HA 0.025 4.375 4.350 0.001 0.000 0.291 28 T C -0.221 174.403 174.700 -0.127 0.000 0.995 28 T CA -0.592 61.427 62.100 -0.135 0.000 1.092 28 T CB 1.047 69.769 68.868 -0.242 0.000 0.954 28 T HN 0.076 nan 8.240 nan 0.000 0.506 29 D N 1.869 122.211 120.400 -0.096 0.000 2.520 29 D HA 0.087 4.728 4.640 0.001 0.000 0.243 29 D C -0.058 176.170 176.300 -0.120 0.000 1.160 29 D CA -0.007 53.944 54.000 -0.081 0.000 0.877 29 D CB 0.460 41.231 40.800 -0.047 0.000 1.150 29 D HN 0.645 nan 8.370 nan 0.000 0.494 30 A N 3.036 125.784 122.820 -0.120 0.000 2.812 30 A HA 0.172 4.492 4.320 0.001 0.000 0.294 30 A C 1.069 178.571 177.584 -0.136 0.000 1.014 30 A CA -0.254 51.678 52.037 -0.174 0.000 1.024 30 A CB -0.089 18.791 19.000 -0.201 0.000 1.162 30 A HN 0.551 nan 8.150 nan 0.000 0.511 31 T N -2.988 111.518 114.554 -0.080 0.000 3.086 31 T HA 0.500 4.851 4.350 0.001 0.000 0.250 31 T C 0.920 175.603 174.700 -0.028 0.000 1.074 31 T CA 0.580 62.653 62.100 -0.046 0.000 0.988 31 T CB -0.104 68.752 68.868 -0.021 0.000 0.988 31 T HN 0.707 nan 8.240 nan 0.000 0.530 32 A N 1.922 124.727 122.820 -0.026 0.000 2.386 32 A HA 0.477 4.797 4.320 0.001 0.000 0.246 32 A C 0.728 178.271 177.584 -0.069 0.000 1.089 32 A CA -0.382 51.657 52.037 0.004 0.000 0.790 32 A CB -0.413 18.656 19.000 0.114 0.000 1.042 32 A HN 0.405 nan 8.150 nan 0.000 0.497 33 T N 1.791 116.297 114.554 -0.081 0.000 2.800 33 T HA 0.214 4.565 4.350 0.001 0.000 0.283 33 T C 1.533 176.170 174.700 -0.105 0.000 0.999 33 T CA 0.565 62.626 62.100 -0.066 0.000 1.176 33 T CB 0.432 69.306 68.868 0.011 0.000 0.973 33 T HN 0.912 nan 8.240 nan 0.000 0.519 34 A N 3.706 126.499 122.820 -0.044 0.000 1.872 34 A HA 0.497 4.817 4.320 0.001 0.000 0.214 34 A C 1.504 179.108 177.584 0.033 0.000 1.187 34 A CA 0.924 52.936 52.037 -0.041 0.000 0.614 34 A CB -1.012 18.002 19.000 0.023 0.000 0.826 34 A HN 1.726 nan 8.150 nan 0.000 0.442 35 G N -2.684 106.171 108.800 0.092 0.000 2.756 35 G HA2 0.360 4.320 3.960 0.001 0.000 0.678 35 G HA3 0.360 4.320 3.960 0.001 0.000 0.678 35 G C 0.348 175.339 174.900 0.151 0.000 1.349 35 G CA -0.325 44.862 45.100 0.144 0.000 0.847 35 G HN 1.475 nan 8.290 nan 0.000 0.548 36 G N -0.928 107.929 108.800 0.095 0.000 2.414 36 G HA2 0.495 4.455 3.960 0.001 0.000 0.236 36 G HA3 0.495 4.455 3.960 0.001 0.000 0.236 36 G C 0.754 175.684 174.900 0.049 0.000 1.293 36 G CA 1.106 46.218 45.100 0.021 0.000 0.869 36 G HN 1.963 nan 8.290 nan 0.000 0.556 37 N N -0.853 117.834 118.700 -0.023 0.000 2.984 37 N HA -0.207 4.533 4.740 0.001 0.000 0.227 37 N C -0.083 175.273 175.510 -0.257 0.000 0.903 37 N CA 1.336 54.298 53.050 -0.146 0.000 0.995 37 N CB -1.120 37.224 38.487 -0.239 0.000 1.065 37 N HN 0.610 nan 8.380 nan 0.000 0.585 38 Y N -0.793 119.498 120.300 -0.015 0.000 2.713 38 Y HA 0.445 4.995 4.550 0.001 0.000 0.269 38 Y C 1.728 177.631 175.900 0.005 0.000 1.106 38 Y CA -0.159 57.950 58.100 0.014 0.000 1.174 38 Y CB 0.697 39.185 38.460 0.047 0.000 1.186 38 Y HN 0.182 nan 8.280 nan 0.000 0.555 39 G N 0.180 109.026 108.800 0.078 0.000 2.509 39 G HA2 -0.237 3.724 3.960 0.001 0.000 0.218 39 G HA3 -0.237 3.724 3.960 0.001 0.000 0.218 39 G C 0.684 175.605 174.900 0.035 0.000 1.124 39 G CA 0.014 45.142 45.100 0.048 0.000 0.776 39 G HN 0.322 nan 8.290 nan 0.000 0.547 40 N N 0.889 119.602 118.700 0.022 0.000 2.442 40 N HA 0.116 4.856 4.740 0.001 0.000 0.265 40 N C -1.626 173.926 175.510 0.070 0.000 1.138 40 N CA -1.373 51.691 53.050 0.023 0.000 0.956 40 N CB 1.923 40.404 38.487 -0.010 0.000 1.067 40 N HN -0.138 nan 8.380 nan 0.000 0.474 41 P HA -0.120 nan 4.420 nan 0.000 0.216 41 P C 0.559 177.934 177.300 0.124 0.000 1.150 41 P CA 1.198 64.342 63.100 0.074 0.000 0.843 41 P CB 0.301 32.030 31.700 0.047 0.000 0.787 42 D N -1.595 118.888 120.400 0.137 0.000 2.117 42 D HA -0.133 4.508 4.640 0.001 0.000 0.198 42 D C 1.775 178.288 176.300 0.354 0.000 0.982 42 D CA 0.985 55.124 54.000 0.231 0.000 0.828 42 D CB -0.422 40.463 40.800 0.141 0.000 0.967 42 D HN -0.073 nan 8.370 nan 0.000 0.464 43 N N 0.394 119.245 118.700 0.252 0.000 2.069 43 N HA -0.190 4.551 4.740 0.001 0.000 0.191 43 N C 1.538 177.376 175.510 0.548 0.000 1.031 43 N CA 0.894 54.138 53.050 0.322 0.000 0.852 43 N CB -0.718 37.799 38.487 0.050 0.000 1.018 43 N HN 0.233 nan 8.380 nan 0.000 0.423 44 N N 0.983 119.919 118.700 0.395 0.000 2.104 44 N HA -0.149 4.591 4.740 0.001 0.000 0.190 44 N C 1.695 177.219 175.510 0.023 0.000 1.024 44 N CA 0.977 54.151 53.050 0.208 0.000 0.853 44 N CB -0.069 38.467 38.487 0.083 0.000 1.008 44 N HN 0.042 nan 8.380 nan 0.000 0.424 45 R N -0.584 119.966 120.500 0.084 0.000 2.091 45 R HA -0.125 4.216 4.340 0.001 0.000 0.238 45 R C 1.901 178.055 176.300 -0.243 0.000 1.136 45 R CA 1.636 57.712 56.100 -0.040 0.000 0.959 45 R CB -1.073 29.314 30.300 0.146 0.000 0.856 45 R HN 0.524 nan 8.270 nan 0.000 0.437 46 W N 1.778 122.943 121.300 -0.225 0.000 2.317 46 W HA -0.314 4.346 4.660 0.001 0.000 0.318 46 W C 2.101 178.417 176.519 -0.338 0.000 1.227 46 W CA 2.536 59.635 57.345 -0.409 0.000 1.269 46 W CB -0.576 28.944 29.460 0.101 0.000 1.155 46 W HN 0.415 nan 8.180 nan 0.000 0.484 47 Q N -0.750 118.948 119.800 -0.170 0.000 2.230 47 Q HA -0.179 4.162 4.340 0.001 0.000 0.202 47 Q C 1.912 177.543 176.000 -0.615 0.000 0.963 47 Q CA 1.670 57.187 55.803 -0.476 0.000 0.866 47 Q CB -0.731 27.979 28.738 -0.048 0.000 0.931 47 Q HN 0.478 nan 8.270 nan 0.000 0.452 48 Q N 0.447 119.807 119.800 -0.735 0.000 2.354 48 Q HA 0.007 4.348 4.340 0.001 0.000 0.203 48 Q C 1.120 176.778 176.000 -0.570 0.000 0.933 48 Q CA 1.546 56.887 55.803 -0.770 0.000 0.901 48 Q CB 0.806 29.040 28.738 -0.840 0.000 1.007 48 Q HN 0.658 nan 8.270 nan 0.000 0.495 49 T N -3.420 110.719 114.554 -0.691 0.000 3.041 49 T HA 0.062 4.412 4.350 0.001 0.000 0.276 49 T C 0.740 174.924 174.700 -0.859 0.000 0.948 49 T CA 0.084 61.759 62.100 -0.709 0.000 0.885 49 T CB 0.332 68.865 68.868 -0.559 0.000 1.175 49 T HN 0.154 nan 8.240 nan 0.000 0.529 50 T N 1.135 115.082 114.554 -1.012 0.000 2.927 50 T HA 0.743 5.094 4.350 0.001 0.000 0.281 50 T C -0.332 173.861 174.700 -0.845 0.000 0.998 50 T CA -0.921 60.601 62.100 -0.963 0.000 1.019 50 T CB 1.288 69.455 68.868 -1.168 0.000 1.061 50 T HN 0.259 nan 8.240 nan 0.000 0.518 51 L N 2.750 123.628 121.223 -0.575 0.000 2.305 51 L HA 0.486 4.827 4.340 0.001 0.000 0.284 51 L C -2.259 174.439 176.870 -0.287 0.000 1.013 51 L CA -2.378 52.194 54.840 -0.445 0.000 0.819 51 L CB 2.152 44.044 42.059 -0.278 0.000 1.227 51 L HN 0.531 nan 8.230 nan 0.000 0.417 52 P HA 0.399 nan 4.420 nan 0.000 0.286 52 P C -1.306 176.061 177.300 0.112 0.000 1.261 52 P CA -0.307 62.517 63.100 -0.461 0.000 0.821 52 P CB 1.290 32.227 31.700 -1.272 0.000 1.013 53 F N -0.708 119.350 119.950 0.180 0.000 2.645 53 F HA 0.903 5.431 4.527 0.001 0.000 0.310 53 F C -0.717 175.447 175.800 0.607 0.000 1.102 53 F CA -0.789 57.460 58.000 0.414 0.000 0.952 53 F CB 1.562 40.757 39.000 0.324 0.000 1.326 53 F HN 0.636 nan 8.300 nan 0.000 0.456 54 G N 0.948 110.042 108.800 0.490 0.000 2.506 54 G HA2 0.358 4.319 3.960 0.001 0.000 0.292 54 G HA3 0.358 4.319 3.960 0.001 0.000 0.292 54 G C -1.872 173.181 174.900 0.256 0.000 1.425 54 G CA -0.687 44.560 45.100 0.245 0.000 0.788 54 G HN 1.129 nan 8.290 nan 0.000 0.490 55 N N -1.073 117.711 118.700 0.141 0.000 2.291 55 N HA 0.375 5.115 4.740 0.001 0.000 0.244 55 N C 1.309 176.868 175.510 0.083 0.000 1.216 55 N CA 0.686 53.836 53.050 0.167 0.000 0.879 55 N CB 0.894 39.499 38.487 0.198 0.000 1.167 55 N HN 2.042 nan 8.380 nan 0.000 0.515 56 G N 0.231 109.037 108.800 0.010 0.000 2.225 56 G HA2 -0.355 3.605 3.960 0.001 0.000 0.254 56 G HA3 -0.355 3.605 3.960 0.001 0.000 0.254 56 G C 0.808 175.666 174.900 -0.069 0.000 0.988 56 G CA 0.796 45.874 45.100 -0.037 0.000 0.625 56 G HN 0.488 nan 8.290 nan 0.000 0.527 57 K N -0.626 119.736 120.400 -0.063 0.000 2.524 57 K HA 0.392 4.713 4.320 0.001 0.000 0.210 57 K C 1.209 177.736 176.600 -0.122 0.000 1.340 57 K CA 0.490 56.745 56.287 -0.053 0.000 0.880 57 K CB 0.446 32.954 32.500 0.013 0.000 1.616 57 K HN 0.548 nan 8.250 nan 0.000 0.457 58 I N -0.578 119.908 120.570 -0.139 0.000 2.488 58 I HA 0.621 4.792 4.170 0.001 0.000 0.299 58 I C -0.168 175.747 176.117 -0.337 0.000 0.984 58 I CA -0.783 60.337 61.300 -0.302 0.000 1.250 58 I CB 1.772 39.631 38.000 -0.235 0.000 1.389 58 I HN 0.031 nan 8.210 nan 0.000 0.488 59 G N 2.413 110.899 108.800 -0.523 0.000 2.659 59 G HA2 0.678 4.638 3.960 0.001 0.000 0.296 59 G HA3 0.678 4.638 3.960 0.001 0.000 0.296 59 G C -1.079 173.556 174.900 -0.442 0.000 1.369 59 G CA -0.821 44.027 45.100 -0.420 0.000 0.937 59 G HN 1.013 nan 8.290 nan 0.000 0.485 60 G N -0.466 107.896 108.800 -0.730 0.000 2.473 60 G HA2 0.696 4.657 3.960 0.001 0.000 0.321 60 G HA3 0.696 4.657 3.960 0.001 0.000 0.321 60 G C -0.522 174.323 174.900 -0.093 0.000 1.200 60 G CA -0.563 44.265 45.100 -0.454 0.000 0.963 60 G HN 0.930 nan 8.290 nan 0.000 0.483 61 T N -1.015 113.649 114.554 0.183 0.000 2.847 61 T HA 0.521 4.872 4.350 0.001 0.000 0.291 61 T C -0.347 174.415 174.700 0.104 0.000 0.998 61 T CA -0.592 61.576 62.100 0.113 0.000 0.967 61 T CB 1.573 70.553 68.868 0.187 0.000 0.954 61 T HN 0.361 nan 8.240 nan 0.000 0.441 62 V N 3.477 123.385 119.914 -0.009 0.000 2.498 62 V HA 0.192 4.312 4.120 0.001 0.000 0.279 62 V C 0.273 176.314 176.094 -0.089 0.000 1.048 62 V CA -0.403 61.864 62.300 -0.055 0.000 0.967 62 V CB 0.767 32.493 31.823 -0.163 0.000 0.988 62 V HN 0.995 nan 8.190 nan 0.000 0.473 63 W N 2.248 123.485 121.300 -0.105 0.000 2.588 63 W HA 0.360 5.021 4.660 0.001 0.000 0.277 63 W C 1.886 178.387 176.519 -0.029 0.000 1.221 63 W CA 0.711 58.011 57.345 -0.074 0.000 1.355 63 W CB -0.344 29.096 29.460 -0.033 0.000 1.083 63 W HN 0.863 nan 8.180 nan 0.000 0.581 64 G N 0.993 109.935 108.800 0.236 0.000 2.198 64 G HA2 -0.247 3.714 3.960 0.001 0.000 0.257 64 G HA3 -0.247 3.714 3.960 0.001 0.000 0.257 64 G C -0.016 175.056 174.900 0.287 0.000 1.042 64 G CA -0.192 45.061 45.100 0.256 0.000 0.791 64 G HN 0.094 nan 8.290 nan 0.000 0.502 65 E N -0.269 120.050 120.200 0.197 0.000 2.373 65 E HA 0.304 4.654 4.350 0.001 0.000 0.267 65 E C 1.795 178.400 176.600 0.009 0.000 1.032 65 E CA 0.161 56.615 56.400 0.090 0.000 0.889 65 E CB 1.603 31.339 29.700 0.060 0.000 0.984 65 E HN 0.730 nan 8.360 nan 0.000 0.425 66 V N 0.979 120.807 119.914 -0.143 0.000 2.323 66 V HA -0.186 3.935 4.120 0.001 0.000 0.244 66 V C 1.824 177.773 176.094 -0.241 0.000 1.041 66 V CA 2.247 64.274 62.300 -0.456 0.000 1.025 66 V CB 0.157 31.491 31.823 -0.815 0.000 0.656 66 V HN 0.549 nan 8.190 nan 0.000 0.451 67 S N 0.050 115.684 115.700 -0.110 0.000 2.431 67 S HA 0.169 4.639 4.470 0.001 0.000 0.210 67 S C 1.578 176.129 174.600 -0.081 0.000 1.013 67 S CA 0.164 58.319 58.200 -0.075 0.000 0.920 67 S CB -0.265 62.957 63.200 0.035 0.000 0.882 67 S HN 0.639 nan 8.310 nan 0.000 0.567 68 R N 2.028 122.513 120.500 -0.025 0.000 2.870 68 R HA 0.234 4.575 4.340 0.001 0.000 0.254 68 R C -0.628 175.719 176.300 0.079 0.000 1.392 68 R CA -0.204 55.917 56.100 0.035 0.000 1.322 68 R CB 0.043 30.343 30.300 -0.001 0.000 1.205 68 R HN 0.291 nan 8.270 nan 0.000 0.597 69 E N 2.397 122.647 120.200 0.084 0.000 2.398 69 E HA -0.005 4.346 4.350 0.001 0.000 0.263 69 E C -0.897 175.736 176.600 0.055 0.000 1.046 69 E CA 0.206 56.655 56.400 0.082 0.000 0.908 69 E CB 0.650 30.407 29.700 0.095 0.000 0.963 69 E HN 0.451 nan 8.360 nan 0.000 0.431 70 R N 2.780 123.254 120.500 -0.043 0.000 2.574 70 R HA 0.526 4.867 4.340 0.001 0.000 0.288 70 R C -1.833 174.429 176.300 -0.065 0.000 1.004 70 R CA -0.799 55.114 56.100 -0.311 0.000 0.895 70 R CB 1.496 31.365 30.300 -0.718 0.000 1.191 70 R HN 0.406 nan 8.270 nan 0.000 0.444 71 V N 3.542 123.393 119.914 -0.105 0.000 2.380 71 V HA 0.252 4.372 4.120 0.001 0.000 0.286 71 V C -0.130 176.042 176.094 0.130 0.000 1.015 71 V CA -0.674 61.662 62.300 0.060 0.000 0.834 71 V CB 1.799 33.605 31.823 -0.028 0.000 1.009 71 V HN 0.822 nan 8.190 nan 0.000 0.428 72 T N 5.996 120.749 114.554 0.331 0.000 2.888 72 T HA 0.340 4.691 4.350 0.001 0.000 0.301 72 T C -0.582 174.299 174.700 0.302 0.000 1.001 72 T CA 0.577 62.875 62.100 0.330 0.000 1.147 72 T CB 0.107 69.307 68.868 0.554 0.000 0.931 72 T HN 0.437 nan 8.240 nan 0.000 0.541 73 F N 3.798 123.791 119.950 0.071 0.000 2.532 73 F HA 0.560 5.088 4.527 0.001 0.000 0.321 73 F C -0.184 175.632 175.800 0.026 0.000 1.089 73 F CA -0.865 57.139 58.000 0.006 0.000 0.926 73 F CB 1.359 40.314 39.000 -0.076 0.000 1.168 73 F HN 0.409 nan 8.300 nan 0.000 0.459 74 N N 3.567 121.776 118.700 -0.818 0.000 2.242 74 N HA 0.229 4.970 4.740 0.001 0.000 0.292 74 N C -1.939 173.124 175.510 -0.744 0.000 1.125 74 N CA -0.620 52.132 53.050 -0.495 0.000 0.783 74 N CB 2.513 40.861 38.487 -0.232 0.000 1.558 74 N HN 0.594 nan 8.380 nan 0.000 0.472 75 E N 1.258 121.329 120.200 -0.216 0.000 2.234 75 E HA 0.091 4.441 4.350 0.001 0.000 0.266 75 E C 0.274 176.976 176.600 0.170 0.000 0.877 75 E CA -0.225 56.134 56.400 -0.068 0.000 0.758 75 E CB 1.771 31.524 29.700 0.089 0.000 1.170 75 E HN 0.711 nan 8.360 nan 0.000 0.415 76 E N 1.366 121.631 120.200 0.108 0.000 2.209 76 E HA -0.189 4.162 4.350 0.001 0.000 0.196 76 E C 1.054 177.819 176.600 0.274 0.000 0.993 76 E CA 1.839 58.325 56.400 0.143 0.000 0.819 76 E CB -0.136 29.555 29.700 -0.015 0.000 0.745 76 E HN 0.421 nan 8.360 nan 0.000 0.477 77 T N -1.282 113.404 114.554 0.219 0.000 3.086 77 T HA 0.140 4.490 4.350 0.001 0.000 0.250 77 T C 0.631 175.477 174.700 0.242 0.000 1.074 77 T CA -0.503 61.663 62.100 0.110 0.000 0.988 77 T CB -0.006 68.871 68.868 0.016 0.000 0.988 77 T HN 0.077 nan 8.240 nan 0.000 0.530 78 L N 2.416 123.787 121.223 0.247 0.000 2.451 78 L HA 0.426 4.767 4.340 0.001 0.000 0.272 78 L C -1.260 175.559 176.870 -0.084 0.000 1.258 78 L CA -0.360 54.485 54.840 0.008 0.000 1.132 78 L CB -0.905 41.044 42.059 -0.184 0.000 1.361 78 L HN 0.371 nan 8.230 nan 0.000 0.438 79 W N 3.120 124.369 121.300 -0.084 0.000 2.739 79 W HA 0.485 5.146 4.660 0.001 0.000 0.331 79 W C 0.428 176.988 176.519 0.069 0.000 1.049 79 W CA -0.468 56.860 57.345 -0.028 0.000 1.234 79 W CB 1.761 31.154 29.460 -0.112 0.000 1.404 79 W HN 0.490 nan 8.180 nan 0.000 0.477 80 T N 0.782 115.437 114.554 0.168 0.000 2.788 80 T HA 0.801 5.151 4.350 0.001 0.000 0.280 80 T C 0.689 175.532 174.700 0.237 0.000 0.984 80 T CA 0.503 62.671 62.100 0.113 0.000 0.972 80 T CB 1.111 69.952 68.868 -0.046 0.000 1.039 80 T HN 1.315 nan 8.240 nan 0.000 0.530 81 G N -0.919 107.879 108.800 -0.003 0.000 2.660 81 G HA2 0.411 4.371 3.960 0.001 0.000 0.247 81 G HA3 0.411 4.371 3.960 0.001 0.000 0.247 81 G C 0.305 174.859 174.900 -0.577 0.000 1.328 81 G CA 0.006 45.028 45.100 -0.129 0.000 0.884 81 G HN 2.700 nan 8.290 nan 0.000 0.531 82 G N -1.013 107.295 108.800 -0.820 0.000 2.681 82 G HA2 0.270 4.230 3.960 0.001 0.000 0.220 82 G HA3 0.270 4.230 3.960 0.001 0.000 0.220 82 G C -2.183 171.855 174.900 -1.437 0.000 1.353 82 G CA 0.627 44.712 45.100 -1.691 0.000 0.872 82 G HN 1.572 nan 8.290 nan 0.000 0.557 83 P HA 0.360 nan 4.420 nan 0.000 0.268 83 P C 1.071 178.215 177.300 -0.260 0.000 1.204 83 P CA 1.905 64.800 63.100 -0.342 0.000 0.768 83 P CB 0.745 32.394 31.700 -0.086 0.000 0.842 84 G N 2.579 111.308 108.800 -0.117 0.000 2.217 84 G HA2 -0.323 3.638 3.960 0.001 0.000 0.246 84 G HA3 -0.323 3.638 3.960 0.001 0.000 0.246 84 G C 1.125 175.976 174.900 -0.081 0.000 0.990 84 G CA 0.535 45.584 45.100 -0.084 0.000 0.627 84 G HN 0.656 nan 8.290 nan 0.000 0.522 85 S N -0.454 115.172 115.700 -0.124 0.000 2.489 85 S HA 0.496 4.966 4.470 0.001 0.000 0.228 85 S C 1.017 175.628 174.600 0.019 0.000 0.995 85 S CA 1.571 59.730 58.200 -0.069 0.000 0.934 85 S CB -0.016 63.116 63.200 -0.113 0.000 0.771 85 S HN 2.272 nan 8.310 nan 0.000 0.522 86 S N -0.283 115.450 115.700 0.055 0.000 2.636 86 S HA 0.446 4.917 4.470 0.001 0.000 0.268 86 S C 0.383 175.036 174.600 0.088 0.000 1.159 86 S CA -0.015 58.238 58.200 0.089 0.000 0.815 86 S CB 0.709 63.994 63.200 0.141 0.000 1.130 86 S HN 0.349 nan 8.310 nan 0.000 0.471 87 T N -1.275 113.325 114.554 0.078 0.000 3.100 87 T HA 0.194 4.545 4.350 0.001 0.000 0.253 87 T C 1.115 175.864 174.700 0.081 0.000 1.118 87 T CA 0.764 62.903 62.100 0.066 0.000 1.058 87 T CB -0.526 68.369 68.868 0.045 0.000 0.953 87 T HN 1.126 nan 8.240 nan 0.000 0.515 88 S N -0.317 115.447 115.700 0.106 0.000 2.664 88 S HA 0.285 4.755 4.470 0.001 0.000 0.245 88 S C -0.122 174.553 174.600 0.126 0.000 1.019 88 S CA -0.937 57.319 58.200 0.094 0.000 0.996 88 S CB -0.910 62.330 63.200 0.067 0.000 0.878 88 S HN 0.461 nan 8.310 nan 0.000 0.493 89 Y N 3.204 123.546 120.300 0.069 0.000 2.802 89 Y HA 0.249 4.800 4.550 0.001 0.000 0.333 89 Y C 0.546 176.509 175.900 0.105 0.000 1.244 89 Y CA 0.314 58.478 58.100 0.106 0.000 1.558 89 Y CB 0.185 38.698 38.460 0.089 0.000 1.233 89 Y HN 0.371 nan 8.280 nan 0.000 0.547 90 N N 4.006 122.394 118.700 -0.520 0.000 2.588 90 N HA 0.165 4.905 4.740 0.001 0.000 0.298 90 N C 0.386 175.618 175.510 -0.463 0.000 1.718 90 N CA 0.490 53.336 53.050 -0.341 0.000 0.888 90 N CB 0.074 38.482 38.487 -0.132 0.000 1.389 90 N HN 0.918 nan 8.380 nan 0.000 0.491 91 G N 0.075 108.303 108.800 -0.954 0.000 2.258 91 G HA2 -0.199 3.761 3.960 0.001 0.000 0.274 91 G HA3 -0.199 3.761 3.960 0.001 0.000 0.274 91 G C 1.035 175.547 174.900 -0.647 0.000 1.021 91 G CA 0.680 45.514 45.100 -0.444 0.000 0.798 91 G HN 1.328 nan 8.290 nan 0.000 0.507 92 G N -1.680 106.636 108.800 -0.807 0.000 2.176 92 G HA2 -0.301 3.660 3.960 0.001 0.000 0.253 92 G HA3 -0.301 3.660 3.960 0.001 0.000 0.253 92 G C 0.203 174.838 174.900 -0.442 0.000 0.979 92 G CA 0.544 45.011 45.100 -1.054 0.000 0.641 92 G HN 1.186 nan 8.290 nan 0.000 0.530 93 N N 1.111 119.657 118.700 -0.257 0.000 2.497 93 N HA 0.374 5.115 4.740 0.001 0.000 0.268 93 N C -0.237 175.259 175.510 -0.023 0.000 1.171 93 N CA -0.114 52.920 53.050 -0.027 0.000 0.948 93 N CB 0.461 38.940 38.487 -0.012 0.000 1.069 93 N HN 0.195 nan 8.380 nan 0.000 0.460 94 N N 2.009 120.740 118.700 0.051 0.000 2.609 94 N HA 0.077 4.818 4.740 0.001 0.000 0.234 94 N C 0.072 175.498 175.510 -0.140 0.000 1.001 94 N CA -0.151 52.892 53.050 -0.012 0.000 0.926 94 N CB 0.546 39.069 38.487 0.060 0.000 1.130 94 N HN 0.532 nan 8.380 nan 0.000 0.510 95 E N 0.340 120.460 120.200 -0.133 0.000 2.118 95 E HA -0.190 4.160 4.350 0.001 0.000 0.195 95 E C 1.449 177.965 176.600 -0.139 0.000 0.992 95 E CA 1.829 58.130 56.400 -0.165 0.000 0.804 95 E CB 0.123 29.761 29.700 -0.104 0.000 0.741 95 E HN 0.739 nan 8.360 nan 0.000 0.458 96 T N -0.757 113.745 114.554 -0.086 0.000 2.962 96 T HA -0.103 4.247 4.350 0.001 0.000 0.270 96 T C 1.679 176.340 174.700 -0.064 0.000 1.088 96 T CA 0.988 63.051 62.100 -0.061 0.000 1.127 96 T CB 0.002 68.850 68.868 -0.032 0.000 0.883 96 T HN 0.023 nan 8.240 nan 0.000 0.493 97 K N 0.492 120.848 120.400 -0.073 0.000 2.128 97 K HA 0.247 4.568 4.320 0.001 0.000 0.202 97 K C 2.714 179.257 176.600 -0.094 0.000 1.050 97 K CA 0.753 57.013 56.287 -0.045 0.000 0.966 97 K CB -0.356 32.166 32.500 0.038 0.000 0.759 97 K HN 0.413 nan 8.250 nan 0.000 0.454 98 G N 0.396 109.029 108.800 -0.278 0.000 2.430 98 G HA2 -0.190 3.771 3.960 0.001 0.000 0.216 98 G HA3 -0.190 3.771 3.960 0.001 0.000 0.216 98 G C 0.212 174.995 174.900 -0.194 0.000 1.146 98 G CA 0.061 44.926 45.100 -0.391 0.000 0.793 98 G HN 0.186 nan 8.290 nan 0.000 0.537 99 Q N 0.270 119.970 119.800 -0.167 0.000 2.451 99 Q HA -0.170 4.170 4.340 0.001 0.000 0.305 99 Q C 0.084 176.037 176.000 -0.078 0.000 1.345 99 Q CA 0.916 56.660 55.803 -0.097 0.000 0.854 99 Q CB -2.183 26.518 28.738 -0.063 0.000 1.162 99 Q HN 0.680 nan 8.270 nan 0.000 0.440 100 N N -1.258 117.380 118.700 -0.103 0.000 2.707 100 N HA -0.275 4.466 4.740 0.001 0.000 0.253 100 N C 0.957 176.459 175.510 -0.013 0.000 0.998 100 N CA 2.324 55.338 53.050 -0.059 0.000 0.751 100 N CB -1.399 37.066 38.487 -0.037 0.000 0.920 100 N HN 0.899 nan 8.380 nan 0.000 0.539 101 G N -1.879 106.921 108.800 -0.001 0.000 2.217 101 G HA2 -0.320 3.641 3.960 0.001 0.000 0.246 101 G HA3 -0.320 3.641 3.960 0.001 0.000 0.246 101 G C 1.121 176.042 174.900 0.036 0.000 0.990 101 G CA 0.960 46.095 45.100 0.059 0.000 0.627 101 G HN 0.993 nan 8.290 nan 0.000 0.522 102 A N -0.116 122.706 122.820 0.004 0.000 1.933 102 A HA 0.167 4.488 4.320 0.001 0.000 0.218 102 A C 2.436 180.014 177.584 -0.011 0.000 1.175 102 A CA 2.845 54.879 52.037 -0.005 0.000 0.628 102 A CB -0.861 18.129 19.000 -0.017 0.000 0.814 102 A HN 0.790 nan 8.150 nan 0.000 0.444 103 T N 0.142 114.686 114.554 -0.017 0.000 2.674 103 T HA -0.145 4.205 4.350 0.001 0.000 0.265 103 T C 1.851 176.531 174.700 -0.033 0.000 1.039 103 T CA 1.562 63.643 62.100 -0.030 0.000 1.150 103 T CB -0.419 68.430 68.868 -0.032 0.000 0.864 103 T HN 0.304 nan 8.240 nan 0.000 0.427 104 L N 1.364 122.588 121.223 0.001 0.000 2.042 104 L HA 0.004 4.344 4.340 0.001 0.000 0.210 104 L C 2.519 179.381 176.870 -0.013 0.000 1.076 104 L CA 1.758 56.598 54.840 -0.001 0.000 0.749 104 L CB -0.605 41.515 42.059 0.101 0.000 0.893 104 L HN 0.088 nan 8.230 nan 0.000 0.432 105 R N -0.782 119.720 120.500 0.004 0.000 2.091 105 R HA -0.181 4.159 4.340 0.001 0.000 0.238 105 R C 2.125 178.421 176.300 -0.007 0.000 1.136 105 R CA 1.539 57.638 56.100 -0.001 0.000 0.959 105 R CB -0.356 29.947 30.300 0.006 0.000 0.856 105 R HN 0.520 nan 8.270 nan 0.000 0.437 106 A N 0.765 123.576 122.820 -0.016 0.000 1.897 106 A HA -0.074 4.246 4.320 0.001 0.000 0.215 106 A C 2.178 179.747 177.584 -0.025 0.000 1.181 106 A CA 0.990 53.017 52.037 -0.018 0.000 0.620 106 A CB -0.450 18.535 19.000 -0.025 0.000 0.821 106 A HN 0.312 nan 8.150 nan 0.000 0.443 107 L N -0.155 121.038 121.223 -0.050 0.000 2.012 107 L HA -0.230 4.111 4.340 0.001 0.000 0.210 107 L C 2.310 179.157 176.870 -0.038 0.000 1.073 107 L CA 1.382 56.182 54.840 -0.066 0.000 0.748 107 L CB -0.795 41.190 42.059 -0.122 0.000 0.891 107 L HN 0.324 nan 8.230 nan 0.000 0.431 108 N N 0.470 119.139 118.700 -0.051 0.000 2.137 108 N HA -0.189 4.551 4.740 0.001 0.000 0.190 108 N C 1.763 177.334 175.510 0.101 0.000 1.017 108 N CA 1.310 54.325 53.050 -0.059 0.000 0.859 108 N CB -0.184 38.178 38.487 -0.210 0.000 1.002 108 N HN 0.357 nan 8.380 nan 0.000 0.428 109 K N 0.707 121.150 120.400 0.072 0.000 2.097 109 K HA -0.080 4.241 4.320 0.001 0.000 0.206 109 K C 2.070 178.712 176.600 0.070 0.000 1.049 109 K CA 0.933 57.272 56.287 0.086 0.000 0.933 109 K CB -0.044 32.486 32.500 0.049 0.000 0.717 109 K HN 0.317 nan 8.250 nan 0.000 0.442 110 Q N 0.635 120.460 119.800 0.043 0.000 2.084 110 Q HA -0.122 4.218 4.340 0.001 0.000 0.202 110 Q C 2.154 178.188 176.000 0.057 0.000 0.978 110 Q CA 1.241 57.062 55.803 0.030 0.000 0.844 110 Q CB -0.126 28.612 28.738 -0.000 0.000 0.898 110 Q HN 0.276 nan 8.270 nan 0.000 0.426 111 L N 0.158 121.435 121.223 0.091 0.000 2.012 111 L HA -0.211 4.129 4.340 0.001 0.000 0.210 111 L C 2.544 179.505 176.870 0.151 0.000 1.073 111 L CA 1.067 55.992 54.840 0.142 0.000 0.748 111 L CB -0.707 41.471 42.059 0.197 0.000 0.891 111 L HN 0.233 nan 8.230 nan 0.000 0.431 112 A N -0.090 122.842 122.820 0.186 0.000 1.978 112 A HA -0.204 4.116 4.320 0.001 0.000 0.220 112 A C 1.839 179.446 177.584 0.040 0.000 1.170 112 A CA 1.836 53.917 52.037 0.072 0.000 0.636 112 A CB -0.543 18.506 19.000 0.082 0.000 0.810 112 A HN 0.440 nan 8.150 nan 0.000 0.448 113 N N -0.990 117.740 118.700 0.050 0.000 2.449 113 N HA 0.183 4.924 4.740 0.001 0.000 0.191 113 N C 1.081 176.607 175.510 0.028 0.000 1.161 113 N CA 1.096 54.165 53.050 0.031 0.000 0.863 113 N CB 0.478 38.981 38.487 0.026 0.000 0.980 113 N HN 0.667 nan 8.380 nan 0.000 0.458 114 G N -0.869 107.954 108.800 0.039 0.000 2.231 114 G HA2 -0.206 3.755 3.960 0.001 0.000 0.206 114 G HA3 -0.206 3.755 3.960 0.001 0.000 0.206 114 G C 0.308 175.232 174.900 0.040 0.000 0.996 114 G CA -0.054 45.068 45.100 0.037 0.000 0.645 114 G HN 0.556 nan 8.290 nan 0.000 0.498 115 A N 0.433 123.275 122.820 0.037 0.000 2.561 115 A HA 0.520 4.840 4.320 0.001 0.000 0.234 115 A C 1.123 178.740 177.584 0.054 0.000 1.055 115 A CA 1.381 53.433 52.037 0.025 0.000 0.756 115 A CB 0.167 19.176 19.000 0.016 0.000 0.986 115 A HN 0.500 nan 8.150 nan 0.000 0.505 116 E N -0.019 120.191 120.200 0.016 0.000 2.170 116 E HA 0.017 4.367 4.350 0.001 0.000 0.191 116 E C 0.555 177.205 176.600 0.084 0.000 0.981 116 E CA 1.275 57.701 56.400 0.042 0.000 0.830 116 E CB 0.157 29.750 29.700 -0.179 0.000 0.775 116 E HN 0.906 nan 8.360 nan 0.000 0.470 117 T N -1.962 112.598 114.554 0.009 0.000 2.864 117 T HA 0.568 4.918 4.350 0.001 0.000 0.299 117 T C -0.365 174.314 174.700 -0.036 0.000 1.166 117 T CA -0.976 61.128 62.100 0.007 0.000 1.007 117 T CB 1.895 70.744 68.868 -0.030 0.000 1.219 117 T HN -0.058 nan 8.240 nan 0.000 0.506 118 V N -1.038 118.829 119.914 -0.078 0.000 3.158 118 V HA 0.742 4.863 4.120 0.001 0.000 0.311 118 V C -0.600 175.378 176.094 -0.193 0.000 1.181 118 V CA -1.274 60.953 62.300 -0.121 0.000 1.054 118 V CB 1.855 33.604 31.823 -0.123 0.000 1.085 118 V HN 0.991 nan 8.190 nan 0.000 0.446 119 N N 3.054 121.641 118.700 -0.189 0.000 2.439 119 N HA 0.412 5.152 4.740 0.001 0.000 0.243 119 N C -1.841 173.480 175.510 -0.315 0.000 1.088 119 N CA -1.850 51.065 53.050 -0.226 0.000 0.940 119 N CB 1.118 39.513 38.487 -0.153 0.000 1.180 119 N HN 0.705 nan 8.380 nan 0.000 0.505 120 P HA 0.212 nan 4.420 nan 0.000 0.263 120 P C 1.084 178.086 177.300 -0.497 0.000 1.448 120 P CA -0.165 62.510 63.100 -0.708 0.000 0.983 120 P CB 0.047 30.789 31.700 -1.598 0.000 1.481 121 G N 1.646 110.264 108.800 -0.304 0.000 2.507 121 G HA2 -0.280 3.680 3.960 0.001 0.000 0.221 121 G HA3 -0.280 3.680 3.960 0.001 0.000 0.221 121 G C 1.246 176.080 174.900 -0.110 0.000 1.119 121 G CA 0.666 45.664 45.100 -0.171 0.000 0.751 121 G HN 0.383 nan 8.290 nan 0.000 0.574 122 N N -0.355 118.276 118.700 -0.115 0.000 2.322 122 N HA 0.218 4.958 4.740 0.001 0.000 0.194 122 N C 0.350 175.860 175.510 0.000 0.000 1.126 122 N CA -0.316 52.707 53.050 -0.046 0.000 0.845 122 N CB 0.205 38.665 38.487 -0.046 0.000 0.976 122 N HN 0.191 nan 8.380 nan 0.000 0.475 123 L N 1.645 122.807 121.223 -0.101 0.000 2.648 123 L HA 0.222 4.563 4.340 0.001 0.000 0.238 123 L C 0.157 177.026 176.870 -0.002 0.000 1.316 123 L CA -0.201 54.569 54.840 -0.117 0.000 1.241 123 L CB -0.912 40.776 42.059 -0.618 0.000 1.499 123 L HN 0.131 nan 8.230 nan 0.000 0.411 124 T N -3.134 111.455 114.554 0.058 0.000 2.841 124 T HA 0.915 5.266 4.350 0.001 0.000 0.296 124 T C -0.174 174.553 174.700 0.044 0.000 1.166 124 T CA -0.342 61.748 62.100 -0.016 0.000 1.007 124 T CB 2.842 71.695 68.868 -0.026 0.000 1.253 124 T HN 0.266 nan 8.240 nan 0.000 0.511 125 G N -1.616 107.170 108.800 -0.023 0.000 2.427 125 G HA2 0.575 4.536 3.960 0.001 0.000 0.306 125 G HA3 0.575 4.536 3.960 0.001 0.000 0.306 125 G C 0.378 175.282 174.900 0.008 0.000 1.280 125 G CA 0.060 45.166 45.100 0.011 0.000 0.837 125 G HN 2.073 nan 8.290 nan 0.000 0.482 126 G N -0.743 108.018 108.800 -0.066 0.000 2.273 126 G HA2 -0.185 3.775 3.960 0.001 0.000 0.280 126 G HA3 -0.185 3.775 3.960 0.001 0.000 0.280 126 G C 0.645 175.857 174.900 0.520 0.000 1.047 126 G CA 1.328 46.524 45.100 0.161 0.000 0.869 126 G HN 0.838 nan 8.290 nan 0.000 0.502 127 E N -0.382 120.011 120.200 0.322 0.000 2.208 127 E HA 0.005 4.355 4.350 0.001 0.000 0.193 127 E C 1.207 177.992 176.600 0.308 0.000 0.988 127 E CA 0.697 57.264 56.400 0.280 0.000 0.828 127 E CB 0.140 29.944 29.700 0.172 0.000 0.763 127 E HN 0.690 nan 8.360 nan 0.000 0.478 128 N N 0.021 118.946 118.700 0.375 0.000 2.437 128 N HA 0.221 4.961 4.740 0.001 0.000 0.243 128 N C 0.519 176.191 175.510 0.269 0.000 1.041 128 N CA -0.126 53.104 53.050 0.299 0.000 0.940 128 N CB 0.733 39.398 38.487 0.297 0.000 1.133 128 N HN 0.097 nan 8.380 nan 0.000 0.506 129 A N 3.231 126.166 122.820 0.191 0.000 2.019 129 A HA -0.113 4.207 4.320 0.001 0.000 0.219 129 A C 2.096 179.688 177.584 0.014 0.000 1.164 129 A CA 1.658 53.760 52.037 0.108 0.000 0.644 129 A CB -0.503 18.577 19.000 0.133 0.000 0.805 129 A HN 0.735 nan 8.150 nan 0.000 0.449 130 A N -0.393 122.456 122.820 0.049 0.000 1.968 130 A HA -0.099 4.222 4.320 0.001 0.000 0.217 130 A C 1.918 179.509 177.584 0.012 0.000 1.169 130 A CA 1.438 53.487 52.037 0.021 0.000 0.638 130 A CB -0.336 18.689 19.000 0.040 0.000 0.812 130 A HN 0.621 nan 8.150 nan 0.000 0.446 131 E N -0.848 119.404 120.200 0.085 0.000 2.112 131 E HA -0.189 4.161 4.350 0.001 0.000 0.190 131 E C 2.217 178.770 176.600 -0.079 0.000 0.979 131 E CA 1.039 57.553 56.400 0.190 0.000 0.814 131 E CB -0.109 29.923 29.700 0.553 0.000 0.762 131 E HN 0.800 nan 8.360 nan 0.000 0.460 132 Q N 0.392 119.855 119.800 -0.562 0.000 2.020 132 Q HA -0.100 4.241 4.340 0.001 0.000 0.202 132 Q C 0.947 176.693 176.000 -0.425 0.000 0.982 132 Q CA 1.455 56.525 55.803 -1.223 0.000 0.838 132 Q CB -0.092 27.953 28.738 -1.155 0.000 0.899 132 Q HN 0.231 nan 8.270 nan 0.000 0.423 133 G N 0.965 109.638 108.800 -0.212 0.000 2.698 133 G HA2 -0.285 3.676 3.960 0.001 0.000 0.233 133 G HA3 -0.285 3.676 3.960 0.001 0.000 0.233 133 G C -0.700 174.166 174.900 -0.056 0.000 1.352 133 G CA -0.062 45.005 45.100 -0.055 0.000 0.879 133 G HN 0.860 nan 8.290 nan 0.000 0.567 134 N N -2.739 115.900 118.700 -0.102 0.000 3.227 134 N HA 0.478 5.219 4.740 0.001 0.000 0.241 134 N C -1.178 173.704 175.510 -1.046 0.000 1.480 134 N CA -0.766 51.989 53.050 -0.491 0.000 0.886 134 N CB 0.568 38.822 38.487 -0.389 0.000 1.406 134 N HN 1.093 nan 8.380 nan 0.000 0.514 135 Y N 0.667 119.937 120.300 -1.717 0.000 2.359 135 Y HA 0.514 5.065 4.550 0.001 0.000 0.330 135 Y C -0.424 175.000 175.900 -0.793 0.000 1.143 135 Y CA -0.446 56.717 58.100 -1.563 0.000 1.318 135 Y CB 0.397 38.106 38.460 -1.251 0.000 1.234 135 Y HN 0.473 nan 8.280 nan 0.000 0.522 136 L N 6.575 127.157 121.223 -1.068 0.000 2.307 136 L HA 0.314 4.655 4.340 0.001 0.000 0.284 136 L C 0.271 176.604 176.870 -0.895 0.000 1.023 136 L CA -0.834 53.507 54.840 -0.833 0.000 0.810 136 L CB 1.292 42.877 42.059 -0.790 0.000 1.231 136 L HN 0.676 nan 8.230 nan 0.000 0.423 137 N N 2.007 120.384 118.700 -0.538 0.000 2.454 137 N HA -0.117 4.623 4.740 0.001 0.000 0.260 137 N C 0.477 175.927 175.510 -0.099 0.000 1.218 137 N CA -0.045 52.815 53.050 -0.316 0.000 0.904 137 N CB 0.936 39.283 38.487 -0.233 0.000 1.065 137 N HN 0.740 nan 8.380 nan 0.000 0.462 138 W N 4.923 126.117 121.300 -0.177 0.000 2.413 138 W HA 0.057 4.718 4.660 0.001 0.000 0.315 138 W C 0.524 177.122 176.519 0.131 0.000 1.186 138 W CA 2.028 59.371 57.345 -0.005 0.000 1.326 138 W CB -0.467 29.071 29.460 0.130 0.000 1.153 138 W HN 0.718 nan 8.180 nan 0.000 0.489 139 G N -0.373 108.726 108.800 0.498 0.000 2.552 139 G HA2 0.189 4.149 3.960 0.001 0.000 0.137 139 G HA3 0.189 4.149 3.960 0.001 0.000 0.137 139 G C -2.007 173.023 174.900 0.217 0.000 1.135 139 G CA -0.467 44.802 45.100 0.282 0.000 1.047 139 G HN 0.058 nan 8.290 nan 0.000 0.501 140 D N -0.704 119.775 120.400 0.131 0.000 2.661 140 D HA 0.610 5.251 4.640 0.001 0.000 0.228 140 D C -0.768 175.476 176.300 -0.093 0.000 1.183 140 D CA -0.398 53.580 54.000 -0.036 0.000 0.844 140 D CB 2.657 43.270 40.800 -0.312 0.000 1.555 140 D HN 0.423 nan 8.370 nan 0.000 0.453 141 I N 1.948 122.422 120.570 -0.160 0.000 2.321 141 I HA 0.291 4.461 4.170 0.001 0.000 0.291 141 I C -0.944 175.038 176.117 -0.225 0.000 0.998 141 I CA -0.593 60.636 61.300 -0.119 0.000 1.227 141 I CB 0.538 38.504 38.000 -0.056 0.000 1.368 141 I HN 0.230 nan 8.210 nan 0.000 0.466 142 Y N 6.468 126.775 120.300 0.011 0.000 2.341 142 Y HA 0.526 5.076 4.550 0.001 0.000 0.337 142 Y C -0.176 175.752 175.900 0.046 0.000 1.014 142 Y CA -0.660 57.444 58.100 0.007 0.000 1.111 142 Y CB 1.516 39.962 38.460 -0.023 0.000 1.194 142 Y HN 0.338 nan 8.280 nan 0.000 0.462 143 L N 4.104 125.454 121.223 0.213 0.000 2.408 143 L HA 0.303 4.644 4.340 0.001 0.000 0.257 143 L C -0.706 176.310 176.870 0.243 0.000 1.053 143 L CA -0.481 54.460 54.840 0.169 0.000 0.922 143 L CB 0.696 42.768 42.059 0.021 0.000 1.261 143 L HN 0.563 nan 8.230 nan 0.000 0.458 144 D N 1.171 121.694 120.400 0.204 0.000 2.336 144 D HA 0.057 4.698 4.640 0.001 0.000 0.249 144 D C 0.326 176.673 176.300 0.077 0.000 1.213 144 D CA -0.040 54.035 54.000 0.125 0.000 0.870 144 D CB 0.931 41.754 40.800 0.039 0.000 1.076 144 D HN 0.272 nan 8.370 nan 0.000 0.483 145 Y N 1.778 121.900 120.300 -0.296 0.000 2.490 145 Y HA 0.142 4.693 4.550 0.001 0.000 0.281 145 Y C 2.146 177.659 175.900 -0.646 0.000 1.174 145 Y CA 0.532 58.282 58.100 -0.584 0.000 1.295 145 Y CB 0.317 38.054 38.460 -1.205 0.000 1.062 145 Y HN 0.707 nan 8.280 nan 0.000 0.522 146 G N -0.369 108.290 108.800 -0.235 0.000 2.396 146 G HA2 -0.340 3.621 3.960 0.001 0.000 0.242 146 G HA3 -0.340 3.621 3.960 0.001 0.000 0.242 146 G C 0.285 175.188 174.900 0.005 0.000 1.069 146 G CA -0.042 44.998 45.100 -0.101 0.000 0.633 146 G HN 0.094 nan 8.290 nan 0.000 0.517 147 F N 1.919 121.897 119.950 0.046 0.000 2.295 147 F HA -0.081 4.446 4.527 0.001 0.000 0.410 147 F C 1.657 177.489 175.800 0.053 0.000 0.891 147 F CA 0.758 58.776 58.000 0.031 0.000 1.125 147 F CB -0.048 38.853 39.000 -0.164 0.000 0.860 147 F HN 0.187 nan 8.300 nan 0.000 0.551 148 N N 1.248 120.138 118.700 0.317 0.000 2.171 148 N HA -0.095 4.645 4.740 0.001 0.000 0.184 148 N C 0.140 175.740 175.510 0.150 0.000 1.021 148 N CA 1.501 54.660 53.050 0.182 0.000 0.854 148 N CB -0.334 38.241 38.487 0.146 0.000 0.994 148 N HN 0.706 nan 8.380 nan 0.000 0.426 149 D N -1.861 118.653 120.400 0.190 0.000 2.350 149 D HA 0.220 4.861 4.640 0.001 0.000 0.238 149 D C 0.190 176.587 176.300 0.161 0.000 0.989 149 D CA -0.754 53.330 54.000 0.139 0.000 0.921 149 D CB 0.913 41.765 40.800 0.087 0.000 1.297 149 D HN -0.029 nan 8.370 nan 0.000 0.490 150 T N -2.443 112.145 114.554 0.058 0.000 3.264 150 T HA 0.222 4.573 4.350 0.001 0.000 0.257 150 T C -0.080 174.594 174.700 -0.043 0.000 0.976 150 T CA -0.491 61.589 62.100 -0.033 0.000 0.908 150 T CB -0.955 67.875 68.868 -0.065 0.000 1.082 150 T HN 0.318 nan 8.240 nan 0.000 0.567 151 T N 3.076 117.656 114.554 0.044 0.000 2.749 151 T HA 0.551 4.902 4.350 0.001 0.000 0.295 151 T C 0.186 174.918 174.700 0.054 0.000 0.936 151 T CA -0.496 61.611 62.100 0.013 0.000 1.060 151 T CB 0.991 69.853 68.868 -0.011 0.000 0.904 151 T HN 0.552 nan 8.240 nan 0.000 0.500 152 V N 0.934 120.863 119.914 0.025 0.000 3.130 152 V HA 0.992 5.112 4.120 0.001 0.000 0.310 152 V C -0.173 175.990 176.094 0.116 0.000 1.158 152 V CA -1.135 61.222 62.300 0.094 0.000 1.029 152 V CB 2.002 33.860 31.823 0.058 0.000 1.057 152 V HN 0.905 nan 8.190 nan 0.000 0.436 153 T N -2.019 112.639 114.554 0.173 0.000 2.901 153 T HA 0.691 5.042 4.350 0.001 0.000 0.293 153 T C -0.196 174.630 174.700 0.210 0.000 1.084 153 T CA 0.072 62.267 62.100 0.158 0.000 1.008 153 T CB 1.672 70.601 68.868 0.102 0.000 1.170 153 T HN 1.242 nan 8.240 nan 0.000 0.509 154 E N -0.970 119.338 120.200 0.180 0.000 2.440 154 E HA -0.242 4.108 4.350 0.001 0.000 0.246 154 E C -1.022 175.706 176.600 0.214 0.000 1.165 154 E CA 0.297 56.797 56.400 0.167 0.000 0.726 154 E CB -1.923 27.846 29.700 0.114 0.000 1.271 154 E HN 0.656 nan 8.360 nan 0.000 0.397 155 Y N 1.235 121.634 120.300 0.165 0.000 2.377 155 Y HA 0.303 4.854 4.550 0.001 0.000 0.330 155 Y C 0.381 176.389 175.900 0.180 0.000 1.108 155 Y CA -0.068 58.152 58.100 0.199 0.000 1.308 155 Y CB 0.695 39.245 38.460 0.151 0.000 1.216 155 Y HN 0.111 nan 8.280 nan 0.000 0.518 156 R N 6.333 126.630 120.500 -0.338 0.000 2.626 156 R HA 0.444 4.784 4.340 0.001 0.000 0.274 156 R C -1.639 174.455 176.300 -0.344 0.000 1.031 156 R CA -0.996 55.049 56.100 -0.092 0.000 0.898 156 R CB 1.381 31.720 30.300 0.064 0.000 1.222 156 R HN 0.928 nan 8.270 nan 0.000 0.455 157 R N 1.409 121.913 120.500 0.006 0.000 2.740 157 R HA 0.571 4.912 4.340 0.001 0.000 0.282 157 R C -1.563 174.762 176.300 0.042 0.000 0.969 157 R CA -0.767 55.334 56.100 0.003 0.000 0.918 157 R CB 1.933 32.314 30.300 0.136 0.000 1.175 157 R HN 0.702 nan 8.270 nan 0.000 0.464 158 D N 1.184 121.494 120.400 -0.149 0.000 2.583 158 D HA 0.362 5.002 4.640 0.001 0.000 0.248 158 D C -1.536 174.578 176.300 -0.310 0.000 1.209 158 D CA -0.898 52.938 54.000 -0.273 0.000 0.848 158 D CB 1.534 41.854 40.800 -0.800 0.000 1.431 158 D HN 0.401 nan 8.370 nan 0.000 0.436 159 L N 1.383 122.419 121.223 -0.312 0.000 2.342 159 L HA 0.481 4.821 4.340 0.001 0.000 0.276 159 L C -1.148 175.484 176.870 -0.397 0.000 0.997 159 L CA -0.533 54.118 54.840 -0.315 0.000 0.838 159 L CB 1.221 43.120 42.059 -0.266 0.000 1.224 159 L HN 0.563 nan 8.230 nan 0.000 0.416 160 N N 5.208 123.661 118.700 -0.412 0.000 2.439 160 N HA 0.162 4.902 4.740 0.001 0.000 0.243 160 N C 0.811 176.201 175.510 -0.201 0.000 1.088 160 N CA -0.006 52.881 53.050 -0.271 0.000 0.940 160 N CB 0.628 38.986 38.487 -0.216 0.000 1.180 160 N HN 0.788 nan 8.380 nan 0.000 0.505 161 L N 1.568 122.663 121.223 -0.213 0.000 2.201 161 L HA -0.087 4.253 4.340 0.001 0.000 0.212 161 L C 1.913 178.469 176.870 -0.522 0.000 1.105 161 L CA 0.658 55.292 54.840 -0.343 0.000 0.775 161 L CB -0.192 41.751 42.059 -0.193 0.000 0.913 161 L HN 0.414 nan 8.230 nan 0.000 0.440 162 S N -0.284 115.195 115.700 -0.369 0.000 2.395 162 S HA -0.065 4.405 4.470 0.001 0.000 0.225 162 S C 1.771 176.352 174.600 -0.032 0.000 1.027 162 S CA 1.009 59.037 58.200 -0.286 0.000 0.965 162 S CB 0.049 63.294 63.200 0.077 0.000 0.812 162 S HN 0.372 nan 8.310 nan 0.000 0.482 163 K N 0.321 120.680 120.400 -0.067 0.000 2.358 163 K HA 0.226 4.547 4.320 0.001 0.000 0.197 163 K C 0.769 177.178 176.600 -0.319 0.000 1.025 163 K CA 0.341 56.572 56.287 -0.093 0.000 1.104 163 K CB 0.537 33.010 32.500 -0.046 0.000 0.855 163 K HN 0.362 nan 8.250 nan 0.000 0.531 164 G N 3.476 111.953 108.800 -0.538 0.000 2.314 164 G HA2 -0.302 3.659 3.960 0.001 0.000 0.292 164 G HA3 -0.302 3.659 3.960 0.001 0.000 0.292 164 G C -0.370 174.571 174.900 0.069 0.000 1.059 164 G CA 0.939 45.737 45.100 -0.504 0.000 0.982 164 G HN 0.408 nan 8.290 nan 0.000 0.505 165 K N -1.627 118.777 120.400 0.007 0.000 2.532 165 K HA 0.855 5.175 4.320 0.001 0.000 0.265 165 K C -0.438 176.096 176.600 -0.110 0.000 0.948 165 K CA -0.589 55.695 56.287 -0.005 0.000 0.842 165 K CB 1.703 34.215 32.500 0.021 0.000 1.392 165 K HN 1.094 nan 8.250 nan 0.000 0.436 166 A N 1.780 124.515 122.820 -0.143 0.000 2.325 166 A HA 0.591 4.911 4.320 0.001 0.000 0.333 166 A C -1.166 176.361 177.584 -0.095 0.000 1.155 166 A CA -0.622 51.338 52.037 -0.128 0.000 0.814 166 A CB 0.719 19.665 19.000 -0.090 0.000 1.206 166 A HN 0.786 nan 8.150 nan 0.000 0.482 167 D N 0.344 120.650 120.400 -0.157 0.000 2.732 167 D HA 0.559 5.200 4.640 0.001 0.000 0.229 167 D C -1.351 174.862 176.300 -0.145 0.000 1.152 167 D CA -0.101 53.788 54.000 -0.185 0.000 0.854 167 D CB 2.264 42.872 40.800 -0.319 0.000 1.590 167 D HN 0.237 nan 8.370 nan 0.000 0.468 168 V N 0.659 120.492 119.914 -0.136 0.000 2.733 168 V HA 0.570 4.690 4.120 0.001 0.000 0.306 168 V C -0.273 175.686 176.094 -0.225 0.000 1.084 168 V CA -0.514 61.696 62.300 -0.149 0.000 0.905 168 V CB 2.146 33.975 31.823 0.011 0.000 1.010 168 V HN 0.617 nan 8.190 nan 0.000 0.424 169 T N 4.855 119.231 114.554 -0.296 0.000 2.912 169 T HA 0.901 5.252 4.350 0.001 0.000 0.299 169 T C -1.489 173.092 174.700 -0.198 0.000 1.052 169 T CA -0.351 61.581 62.100 -0.281 0.000 0.996 169 T CB 1.220 69.978 68.868 -0.183 0.000 1.070 169 T HN 0.888 nan 8.240 nan 0.000 0.465 170 F N 0.626 120.547 119.950 -0.048 0.000 2.719 170 F HA 0.688 5.216 4.527 0.001 0.000 0.309 170 F C -1.257 174.630 175.800 0.145 0.000 1.138 170 F CA -1.333 56.703 58.000 0.059 0.000 0.943 170 F CB 1.384 40.482 39.000 0.163 0.000 1.304 170 F HN 0.519 nan 8.300 nan 0.000 0.445 171 K N 1.986 122.623 120.400 0.396 0.000 2.265 171 K HA 0.279 4.599 4.320 0.001 0.000 0.267 171 K C -0.355 176.492 176.600 0.412 0.000 0.994 171 K CA -0.493 55.979 56.287 0.307 0.000 0.860 171 K CB 0.769 33.363 32.500 0.157 0.000 1.099 171 K HN 0.968 nan 8.250 nan 0.000 0.448 172 H N 2.762 122.026 119.070 0.324 0.000 2.296 172 H HA 0.129 4.685 4.556 0.001 0.000 0.328 172 H C -0.471 174.879 175.328 0.037 0.000 1.162 172 H CA 0.371 56.498 56.048 0.132 0.000 1.717 172 H CB 0.959 30.714 29.762 -0.012 0.000 1.514 172 H HN 0.574 nan 8.280 nan 0.000 0.621 173 D N -0.264 120.084 120.400 -0.086 0.000 2.551 173 D HA 0.207 4.848 4.640 0.001 0.000 0.294 173 D C 0.641 176.935 176.300 -0.010 0.000 1.201 173 D CA 0.562 54.475 54.000 -0.143 0.000 0.941 173 D CB 0.637 41.331 40.800 -0.175 0.000 0.995 173 D HN 0.844 nan 8.370 nan 0.000 0.502 174 G N 0.588 109.388 108.800 -0.001 0.000 2.257 174 G HA2 -0.312 3.649 3.960 0.001 0.000 0.267 174 G HA3 -0.312 3.649 3.960 0.001 0.000 0.267 174 G C 0.497 175.396 174.900 -0.002 0.000 0.984 174 G CA 0.366 45.468 45.100 0.003 0.000 0.626 174 G HN 0.426 nan 8.290 nan 0.000 0.540 175 V N 1.910 121.831 119.914 0.012 0.000 2.370 175 V HA 0.519 4.640 4.120 0.001 0.000 0.279 175 V C 0.642 176.652 176.094 -0.139 0.000 1.029 175 V CA -0.107 62.127 62.300 -0.110 0.000 0.870 175 V CB 1.486 33.193 31.823 -0.194 0.000 0.984 175 V HN 0.244 nan 8.190 nan 0.000 0.451 176 T N 5.751 120.195 114.554 -0.184 0.000 2.737 176 T HA 0.407 4.758 4.350 0.001 0.000 0.296 176 T C -0.539 173.960 174.700 -0.335 0.000 0.922 176 T CA 0.316 62.318 62.100 -0.163 0.000 1.079 176 T CB -0.199 68.603 68.868 -0.110 0.000 0.892 176 T HN 0.433 nan 8.240 nan 0.000 0.514 177 Y N 2.036 122.158 120.300 -0.296 0.000 2.361 177 Y HA 0.523 5.073 4.550 0.001 0.000 0.332 177 Y C 1.146 176.755 175.900 -0.485 0.000 1.101 177 Y CA -0.828 57.029 58.100 -0.405 0.000 1.137 177 Y CB 1.607 39.674 38.460 -0.654 0.000 1.207 177 Y HN 0.634 nan 8.280 nan 0.000 0.463 178 T N 1.231 115.691 114.554 -0.158 0.000 2.900 178 T HA 0.792 5.143 4.350 0.001 0.000 0.295 178 T C -0.816 173.769 174.700 -0.191 0.000 1.044 178 T CA -1.202 60.780 62.100 -0.197 0.000 0.995 178 T CB 1.719 70.493 68.868 -0.156 0.000 1.072 178 T HN 0.657 nan 8.240 nan 0.000 0.473 179 R N 1.249 121.606 120.500 -0.239 0.000 2.686 179 R HA 0.648 4.988 4.340 0.001 0.000 0.283 179 R C -1.139 174.914 176.300 -0.411 0.000 0.978 179 R CA -0.874 55.009 56.100 -0.362 0.000 0.897 179 R CB 2.546 32.655 30.300 -0.318 0.000 1.192 179 R HN 0.838 nan 8.270 nan 0.000 0.457 180 E N 2.614 122.469 120.200 -0.574 0.000 2.290 180 E HA 0.342 4.692 4.350 0.001 0.000 0.274 180 E C -1.680 174.590 176.600 -0.550 0.000 0.889 180 E CA -0.599 55.576 56.400 -0.375 0.000 0.760 180 E CB 1.527 31.162 29.700 -0.108 0.000 1.206 180 E HN 0.490 nan 8.360 nan 0.000 0.419 181 Y N 3.566 123.717 120.300 -0.248 0.000 2.442 181 Y HA 0.550 5.100 4.550 0.001 0.000 0.344 181 Y C -0.438 175.091 175.900 -0.619 0.000 0.976 181 Y CA -0.910 56.885 58.100 -0.509 0.000 1.040 181 Y CB 1.365 39.406 38.460 -0.699 0.000 1.228 181 Y HN 0.430 nan 8.280 nan 0.000 0.451 182 F N -0.239 119.461 119.950 -0.417 0.000 2.686 182 F HA 0.976 5.503 4.527 0.001 0.000 0.311 182 F C -1.515 174.321 175.800 0.059 0.000 1.128 182 F CA -1.866 55.925 58.000 -0.348 0.000 0.946 182 F CB 1.298 40.015 39.000 -0.471 0.000 1.336 182 F HN 0.503 nan 8.300 nan 0.000 0.457 183 A N 1.557 124.660 122.820 0.472 0.000 2.332 183 A HA 0.647 4.967 4.320 0.001 0.000 0.300 183 A C -0.881 176.914 177.584 0.352 0.000 1.153 183 A CA -0.573 51.703 52.037 0.398 0.000 0.764 183 A CB 0.975 20.234 19.000 0.432 0.000 1.174 183 A HN 0.981 nan 8.150 nan 0.000 0.467 184 S N 1.670 117.569 115.700 0.331 0.000 2.475 184 S HA 0.159 4.630 4.470 0.001 0.000 0.281 184 S C 1.032 175.820 174.600 0.314 0.000 1.198 184 S CA -0.552 57.899 58.200 0.418 0.000 1.063 184 S CB 0.447 63.898 63.200 0.419 0.000 0.972 184 S HN 0.785 nan 8.310 nan 0.000 0.486 185 N N 4.718 123.605 118.700 0.311 0.000 2.173 185 N HA 0.044 4.785 4.740 0.001 0.000 0.184 185 N C -1.149 174.463 175.510 0.170 0.000 1.025 185 N CA 0.907 54.080 53.050 0.206 0.000 0.852 185 N CB -0.835 37.759 38.487 0.177 0.000 0.998 185 N HN 0.473 nan 8.380 nan 0.000 0.427 186 P HA -0.048 nan 4.420 nan 0.000 0.218 186 P C 0.160 177.539 177.300 0.132 0.000 1.148 186 P CA 1.309 64.491 63.100 0.137 0.000 0.822 186 P CB 0.040 31.820 31.700 0.133 0.000 0.784 187 D N -2.814 117.684 120.400 0.163 0.000 2.431 187 D HA 0.050 4.691 4.640 0.001 0.000 0.213 187 D C 0.131 176.514 176.300 0.139 0.000 1.130 187 D CA -0.045 54.041 54.000 0.142 0.000 0.834 187 D CB -0.487 40.409 40.800 0.159 0.000 0.985 187 D HN -0.048 nan 8.370 nan 0.000 0.504 188 N N 0.844 119.632 118.700 0.147 0.000 2.721 188 N HA -0.196 4.545 4.740 0.001 0.000 0.249 188 N C -1.259 174.332 175.510 0.135 0.000 1.072 188 N CA 0.325 53.453 53.050 0.130 0.000 0.710 188 N CB -1.023 37.526 38.487 0.104 0.000 0.993 188 N HN 0.134 nan 8.380 nan 0.000 0.547 189 V N 0.475 120.487 119.914 0.164 0.000 2.932 189 V HA 0.569 4.689 4.120 0.001 0.000 0.307 189 V C -0.396 175.794 176.094 0.161 0.000 1.147 189 V CA -0.908 61.492 62.300 0.167 0.000 0.951 189 V CB 1.996 33.937 31.823 0.197 0.000 1.031 189 V HN 0.281 nan 8.190 nan 0.000 0.426 190 M N 5.963 125.654 119.600 0.151 0.000 2.233 190 M HA 0.700 5.180 4.480 0.001 0.000 0.355 190 M C -1.677 174.600 176.300 -0.039 0.000 1.191 190 M CA -0.301 55.078 55.300 0.133 0.000 1.101 190 M CB 1.461 34.227 32.600 0.276 0.000 1.592 190 M HN 0.519 nan 8.290 nan 0.000 0.461 191 V N 4.115 123.820 119.914 -0.347 0.000 2.540 191 V HA 0.776 4.896 4.120 0.001 0.000 0.302 191 V C -0.472 175.321 176.094 -0.501 0.000 1.035 191 V CA -0.841 61.105 62.300 -0.590 0.000 0.873 191 V CB 1.500 32.682 31.823 -1.068 0.000 0.992 191 V HN 0.936 nan 8.190 nan 0.000 0.428 192 A N 4.295 126.893 122.820 -0.370 0.000 2.304 192 A HA 0.863 5.183 4.320 0.001 0.000 0.314 192 A C -0.473 176.847 177.584 -0.439 0.000 1.187 192 A CA -0.703 51.094 52.037 -0.401 0.000 0.810 192 A CB 1.025 19.895 19.000 -0.218 0.000 1.183 192 A HN 0.785 nan 8.150 nan 0.000 0.487 193 R N 2.568 122.792 120.500 -0.460 0.000 2.295 193 R HA 0.696 5.037 4.340 0.001 0.000 0.324 193 R C -1.650 174.417 176.300 -0.389 0.000 0.968 193 R CA -0.205 55.626 56.100 -0.449 0.000 0.837 193 R CB 0.345 30.342 30.300 -0.505 0.000 1.133 193 R HN 0.616 nan 8.270 nan 0.000 0.450 194 L N 3.854 124.896 121.223 -0.302 0.000 2.381 194 L HA 0.602 4.942 4.340 0.001 0.000 0.274 194 L C -0.553 176.256 176.870 -0.102 0.000 0.988 194 L CA -0.752 53.971 54.840 -0.196 0.000 0.824 194 L CB 2.471 44.405 42.059 -0.209 0.000 1.263 194 L HN 0.672 nan 8.230 nan 0.000 0.410 195 T N 1.319 115.837 114.554 -0.060 0.000 2.907 195 T HA 0.808 5.158 4.350 0.001 0.000 0.292 195 T C -0.646 174.051 174.700 -0.006 0.000 1.043 195 T CA -0.659 61.412 62.100 -0.048 0.000 1.003 195 T CB 2.274 71.086 68.868 -0.094 0.000 1.084 195 T HN 0.651 nan 8.240 nan 0.000 0.483 196 A N 0.876 123.665 122.820 -0.052 0.000 2.386 196 A HA 0.678 4.999 4.320 0.001 0.000 0.311 196 A C 1.179 178.659 177.584 -0.173 0.000 1.068 196 A CA -0.447 51.472 52.037 -0.195 0.000 0.743 196 A CB 1.166 20.077 19.000 -0.149 0.000 1.258 196 A HN 0.881 nan 8.150 nan 0.000 0.429 197 S N 1.412 116.976 115.700 -0.227 0.000 2.368 197 S HA -0.078 4.393 4.470 0.001 0.000 0.224 197 S C 0.755 175.297 174.600 -0.096 0.000 1.029 197 S CA 1.347 59.463 58.200 -0.140 0.000 0.988 197 S CB -0.560 62.558 63.200 -0.137 0.000 0.838 197 S HN 0.811 nan 8.310 nan 0.000 0.462 198 K N 0.996 121.336 120.400 -0.101 0.000 2.203 198 K HA 0.787 5.108 4.320 0.001 0.000 0.251 198 K C -0.509 176.067 176.600 -0.040 0.000 0.944 198 K CA -0.775 55.478 56.287 -0.057 0.000 0.829 198 K CB 1.741 34.215 32.500 -0.042 0.000 1.125 198 K HN 0.112 nan 8.250 nan 0.000 0.430 199 A N 1.100 123.907 122.820 -0.022 0.000 2.483 199 A HA 0.431 4.751 4.320 0.001 0.000 0.238 199 A C 1.312 178.898 177.584 0.003 0.000 1.070 199 A CA 0.655 52.685 52.037 -0.010 0.000 0.770 199 A CB -0.837 18.158 19.000 -0.008 0.000 1.008 199 A HN 1.290 nan 8.150 nan 0.000 0.497 200 G N 0.718 109.524 108.800 0.009 0.000 2.205 200 G HA2 -0.234 3.727 3.960 0.001 0.000 0.261 200 G HA3 -0.234 3.727 3.960 0.001 0.000 0.261 200 G C 0.733 175.663 174.900 0.050 0.000 0.980 200 G CA 0.721 45.834 45.100 0.022 0.000 0.632 200 G HN 0.666 nan 8.290 nan 0.000 0.533 201 K N -0.574 119.860 120.400 0.057 0.000 2.397 201 K HA 0.376 4.697 4.320 0.001 0.000 0.202 201 K C 0.341 177.076 176.600 0.225 0.000 1.022 201 K CA -0.261 56.099 56.287 0.122 0.000 1.141 201 K CB 0.491 33.031 32.500 0.068 0.000 0.857 201 K HN 0.413 nan 8.250 nan 0.000 0.514 202 L N 2.413 123.738 121.223 0.170 0.000 2.287 202 L HA 0.279 4.619 4.340 0.001 0.000 0.280 202 L C -1.040 175.891 176.870 0.102 0.000 1.055 202 L CA -0.017 54.963 54.840 0.234 0.000 0.863 202 L CB 0.149 42.318 42.059 0.183 0.000 1.245 202 L HN 0.020 nan 8.230 nan 0.000 0.432 203 N N 6.124 124.871 118.700 0.078 0.000 2.354 203 N HA 0.647 5.387 4.740 0.001 0.000 0.287 203 N C -1.308 174.092 175.510 -0.184 0.000 1.016 203 N CA -0.258 52.743 53.050 -0.082 0.000 0.871 203 N CB 2.206 40.682 38.487 -0.018 0.000 1.299 203 N HN 0.443 nan 8.380 nan 0.000 0.482 204 F N -0.465 119.278 119.950 -0.345 0.000 2.719 204 F HA 0.442 4.969 4.527 0.001 0.000 0.309 204 F C -1.594 174.077 175.800 -0.213 0.000 1.138 204 F CA -1.230 56.531 58.000 -0.399 0.000 0.943 204 F CB 1.223 39.789 39.000 -0.724 0.000 1.304 204 F HN 0.149 nan 8.300 nan 0.000 0.445 205 N N 1.647 120.383 118.700 0.060 0.000 2.408 205 N HA 0.467 5.208 4.740 0.001 0.000 0.280 205 N C -1.914 173.744 175.510 0.247 0.000 1.002 205 N CA -0.455 52.621 53.050 0.044 0.000 0.907 205 N CB 2.017 40.508 38.487 0.006 0.000 1.161 205 N HN 0.861 nan 8.380 nan 0.000 0.488 206 V N 3.494 123.532 119.914 0.207 0.000 2.370 206 V HA 0.670 4.791 4.120 0.001 0.000 0.283 206 V C -0.321 175.847 176.094 0.122 0.000 1.023 206 V CA -0.187 62.248 62.300 0.224 0.000 0.857 206 V CB 0.661 32.656 31.823 0.286 0.000 0.985 206 V HN 0.873 nan 8.190 nan 0.000 0.443 207 S N 5.864 121.643 115.700 0.133 0.000 2.671 207 S HA 0.772 5.242 4.470 0.001 0.000 0.299 207 S C -0.524 174.144 174.600 0.113 0.000 1.116 207 S CA -0.858 57.407 58.200 0.108 0.000 0.912 207 S CB 2.018 65.277 63.200 0.098 0.000 1.130 207 S HN 0.951 nan 8.310 nan 0.000 0.501 208 M N 1.879 121.534 119.600 0.092 0.000 3.269 208 M HA 0.346 4.827 4.480 0.001 0.000 0.340 208 M C -2.823 173.547 176.300 0.116 0.000 1.662 208 M CA -1.509 53.833 55.300 0.070 0.000 0.547 208 M CB 1.305 33.902 32.600 -0.006 0.000 1.449 208 M HN 0.504 nan 8.290 nan 0.000 0.459 209 P HA 0.160 nan 4.420 nan 0.000 0.271 209 P C -0.341 177.026 177.300 0.111 0.000 1.216 209 P CA 0.199 63.363 63.100 0.106 0.000 0.771 209 P CB 0.572 32.336 31.700 0.107 0.000 0.864 210 T N 0.066 114.653 114.554 0.056 0.000 2.868 210 T HA 0.104 4.454 4.350 0.001 0.000 0.292 210 T C 0.632 175.231 174.700 -0.169 0.000 1.028 210 T CA -0.867 61.221 62.100 -0.020 0.000 1.059 210 T CB 0.244 69.009 68.868 -0.172 0.000 0.991 210 T HN 0.360 nan 8.240 nan 0.000 0.531 211 N N 1.351 119.925 118.700 -0.209 0.000 2.359 211 N HA -0.074 4.667 4.740 0.001 0.000 0.261 211 N C 1.623 176.822 175.510 -0.518 0.000 1.267 211 N CA 0.691 53.579 53.050 -0.269 0.000 0.864 211 N CB 1.135 39.549 38.487 -0.122 0.000 1.063 211 N HN 0.916 nan 8.380 nan 0.000 0.474 212 T N 0.286 114.652 114.554 -0.313 0.000 2.962 212 T HA -0.102 4.248 4.350 0.001 0.000 0.270 212 T C 1.273 175.792 174.700 -0.301 0.000 1.088 212 T CA 0.957 62.882 62.100 -0.292 0.000 1.127 212 T CB -0.111 68.653 68.868 -0.174 0.000 0.883 212 T HN 0.604 nan 8.240 nan 0.000 0.493 213 N N 0.237 118.774 118.700 -0.272 0.000 2.398 213 N HA 0.074 4.814 4.740 0.001 0.000 0.188 213 N C -0.674 174.769 175.510 -0.112 0.000 1.122 213 N CA -0.342 52.605 53.050 -0.173 0.000 0.866 213 N CB 0.191 38.600 38.487 -0.131 0.000 0.970 213 N HN 0.702 nan 8.380 nan 0.000 0.462 214 Y N -0.774 119.427 120.300 -0.166 0.000 2.361 214 Y HA 0.521 5.072 4.550 0.001 0.000 0.332 214 Y C 0.203 176.028 175.900 -0.125 0.000 1.101 214 Y CA -1.310 56.691 58.100 -0.166 0.000 1.137 214 Y CB 0.533 38.856 38.460 -0.227 0.000 1.207 214 Y HN -0.274 nan 8.280 nan 0.000 0.463 215 S N 4.847 120.589 115.700 0.071 0.000 2.558 215 S HA 0.196 4.666 4.470 0.001 0.000 0.288 215 S C -0.185 174.480 174.600 0.109 0.000 1.318 215 S CA -0.598 57.627 58.200 0.041 0.000 1.056 215 S CB 0.061 63.280 63.200 0.032 0.000 0.853 215 S HN 0.653 nan 8.310 nan 0.000 0.505 216 K N 0.967 121.410 120.400 0.072 0.000 2.439 216 K HA 0.657 4.977 4.320 0.001 0.000 0.260 216 K C -1.257 175.384 176.600 0.068 0.000 1.032 216 K CA -0.925 55.440 56.287 0.129 0.000 0.882 216 K CB 1.168 33.785 32.500 0.197 0.000 1.420 216 K HN 0.413 nan 8.250 nan 0.000 0.455 217 T N -0.098 114.495 114.554 0.067 0.000 2.881 217 T HA 0.447 4.797 4.350 0.001 0.000 0.291 217 T C 0.155 174.854 174.700 -0.001 0.000 0.990 217 T CA 0.020 62.133 62.100 0.023 0.000 0.976 217 T CB 1.197 70.075 68.868 0.016 0.000 0.970 217 T HN 0.882 nan 8.240 nan 0.000 0.438 218 G N 2.909 111.704 108.800 -0.008 0.000 2.356 218 G HA2 -0.243 3.718 3.960 0.001 0.000 0.296 218 G HA3 -0.243 3.718 3.960 0.001 0.000 0.296 218 G C -0.023 174.855 174.900 -0.037 0.000 1.022 218 G CA 0.489 45.575 45.100 -0.023 0.000 0.961 218 G HN 0.862 nan 8.290 nan 0.000 0.510 219 E N 0.497 120.691 120.200 -0.010 0.000 2.384 219 E HA 0.472 4.822 4.350 0.001 0.000 0.266 219 E C 0.677 177.277 176.600 -0.000 0.000 1.012 219 E CA 0.446 56.847 56.400 0.001 0.000 0.901 219 E CB 0.380 30.124 29.700 0.073 0.000 0.967 219 E HN 0.445 nan 8.360 nan 0.000 0.435 220 T N 0.938 115.492 114.554 0.000 0.000 2.916 220 T HA 0.400 4.750 4.350 0.001 0.000 0.298 220 T C -0.499 174.220 174.700 0.033 0.000 1.031 220 T CA -1.021 61.086 62.100 0.010 0.000 0.993 220 T CB 1.711 70.578 68.868 -0.001 0.000 1.045 220 T HN 0.270 nan 8.240 nan 0.000 0.454 221 T N 2.651 117.224 114.554 0.032 0.000 2.829 221 T HA 0.685 5.035 4.350 0.001 0.000 0.282 221 T C -0.301 174.414 174.700 0.025 0.000 0.990 221 T CA -0.524 61.600 62.100 0.040 0.000 1.028 221 T CB 1.388 70.279 68.868 0.038 0.000 0.951 221 T HN 0.775 nan 8.240 nan 0.000 0.460 222 T N 2.082 116.652 114.554 0.028 0.000 2.933 222 T HA 0.555 4.905 4.350 0.001 0.000 0.305 222 T C -0.957 173.754 174.700 0.018 0.000 1.092 222 T CA -0.511 61.600 62.100 0.019 0.000 1.008 222 T CB 1.584 70.463 68.868 0.019 0.000 1.102 222 T HN 0.361 nan 8.240 nan 0.000 0.469 223 V N 3.646 123.566 119.914 0.011 0.000 2.444 223 V HA 0.492 4.613 4.120 0.001 0.000 0.294 223 V C 0.618 176.715 176.094 0.006 0.000 1.022 223 V CA -0.603 61.702 62.300 0.008 0.000 0.850 223 V CB 1.715 33.539 31.823 0.000 0.000 0.992 223 V HN 0.802 nan 8.190 nan 0.000 0.426 224 K N 2.954 123.360 120.400 0.009 0.000 3.038 224 K HA 0.393 4.713 4.320 0.001 0.000 0.232 224 K C 1.343 177.946 176.600 0.005 0.000 1.124 224 K CA 0.737 57.028 56.287 0.008 0.000 1.232 224 K CB 0.433 32.940 32.500 0.012 0.000 1.767 224 K HN 0.726 nan 8.250 nan 0.000 0.463 225 G N 1.094 109.899 108.800 0.008 0.000 3.199 225 G HA2 -0.087 3.873 3.960 0.001 0.000 0.184 225 G HA3 -0.087 3.873 3.960 0.001 0.000 0.184 225 G C 0.060 174.962 174.900 0.004 0.000 1.974 225 G CA 0.546 45.649 45.100 0.005 0.000 0.885 225 G HN 0.629 nan 8.290 nan 0.000 0.575 226 D N 0.272 120.679 120.400 0.011 0.000 2.538 226 D HA 0.219 4.860 4.640 0.001 0.000 0.234 226 D C -0.131 176.185 176.300 0.026 0.000 1.191 226 D CA -0.079 53.928 54.000 0.013 0.000 0.828 226 D CB 0.022 40.835 40.800 0.021 0.000 0.981 226 D HN 0.007 nan 8.370 nan 0.000 0.490 227 T N 0.864 115.432 114.554 0.024 0.000 2.937 227 T HA 0.474 4.825 4.350 0.001 0.000 0.297 227 T C -0.218 174.498 174.700 0.027 0.000 0.991 227 T CA -0.875 61.245 62.100 0.032 0.000 0.990 227 T CB 1.431 70.320 68.868 0.035 0.000 0.991 227 T HN 0.260 nan 8.240 nan 0.000 0.440 228 L N 1.198 122.439 121.223 0.030 0.000 2.334 228 L HA 0.985 5.326 4.340 0.001 0.000 0.275 228 L C -0.475 176.418 176.870 0.039 0.000 1.036 228 L CA -0.436 54.423 54.840 0.030 0.000 0.807 228 L CB 1.742 43.818 42.059 0.029 0.000 1.231 228 L HN 0.405 nan 8.230 nan 0.000 0.438 229 T N 2.427 117.010 114.554 0.047 0.000 2.881 229 T HA 0.571 4.921 4.350 0.001 0.000 0.291 229 T C -0.551 174.199 174.700 0.084 0.000 0.990 229 T CA -0.394 61.746 62.100 0.066 0.000 0.976 229 T CB 1.717 70.618 68.868 0.055 0.000 0.970 229 T HN 0.478 nan 8.240 nan 0.000 0.438 230 V N 4.107 124.103 119.914 0.136 0.000 2.483 230 V HA 0.716 4.837 4.120 0.001 0.000 0.295 230 V C 0.011 176.225 176.094 0.200 0.000 1.035 230 V CA -0.769 61.639 62.300 0.179 0.000 0.896 230 V CB 1.666 33.646 31.823 0.261 0.000 0.986 230 V HN 0.669 nan 8.190 nan 0.000 0.447 231 K N 2.419 122.864 120.400 0.074 0.000 2.565 231 K HA 0.726 5.046 4.320 0.001 0.000 0.251 231 K C -0.531 175.869 176.600 -0.334 0.000 0.956 231 K CA 0.057 56.285 56.287 -0.098 0.000 0.809 231 K CB 2.252 34.730 32.500 -0.036 0.000 1.267 231 K HN 1.021 nan 8.250 nan 0.000 0.438 232 G N 1.125 109.438 108.800 -0.811 0.000 2.427 232 G HA2 0.632 4.593 3.960 0.001 0.000 0.306 232 G HA3 0.632 4.593 3.960 0.001 0.000 0.306 232 G C -1.962 172.449 174.900 -0.815 0.000 1.280 232 G CA -0.200 44.428 45.100 -0.787 0.000 0.837 232 G HN 0.627 nan 8.290 nan 0.000 0.482 233 A N -0.581 122.055 122.820 -0.306 0.000 2.386 233 A HA 0.791 5.111 4.320 0.001 0.000 0.311 233 A C -0.334 177.382 177.584 0.219 0.000 1.068 233 A CA -0.609 51.413 52.037 -0.024 0.000 0.743 233 A CB 1.144 20.132 19.000 -0.020 0.000 1.258 233 A HN 0.879 nan 8.150 nan 0.000 0.429 234 L N 2.113 123.479 121.223 0.237 0.000 2.455 234 L HA 0.233 4.574 4.340 0.001 0.000 0.272 234 L C 1.708 178.629 176.870 0.085 0.000 1.174 234 L CA 0.162 55.093 54.840 0.153 0.000 0.869 234 L CB 0.742 42.816 42.059 0.025 0.000 1.130 234 L HN 1.010 nan 8.230 nan 0.000 0.474 235 G N 2.029 110.877 108.800 0.080 0.000 2.484 235 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 235 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 235 G C 1.302 176.213 174.900 0.018 0.000 1.130 235 G CA 0.322 45.447 45.100 0.042 0.000 0.784 235 G HN 0.824 nan 8.290 nan 0.000 0.543 236 N N 1.920 120.625 118.700 0.007 0.000 2.171 236 N HA -0.110 4.631 4.740 0.001 0.000 0.184 236 N C 1.375 176.865 175.510 -0.033 0.000 1.021 236 N CA 1.773 54.813 53.050 -0.015 0.000 0.854 236 N CB -0.061 38.409 38.487 -0.029 0.000 0.994 236 N HN 0.428 nan 8.380 nan 0.000 0.426 237 N N -2.206 116.472 118.700 -0.037 0.000 2.036 237 N HA 0.152 4.892 4.740 0.001 0.000 0.228 237 N C 0.915 176.400 175.510 -0.041 0.000 1.368 237 N CA 0.687 53.692 53.050 -0.074 0.000 0.846 237 N CB -0.007 38.386 38.487 -0.157 0.000 1.145 237 N HN 0.193 nan 8.380 nan 0.000 0.502 238 G N 0.682 109.481 108.800 -0.002 0.000 2.184 238 G HA2 -0.298 3.663 3.960 0.001 0.000 0.264 238 G HA3 -0.298 3.663 3.960 0.001 0.000 0.264 238 G C -0.162 174.762 174.900 0.040 0.000 0.975 238 G CA 0.336 45.444 45.100 0.014 0.000 0.642 238 G HN 0.480 nan 8.290 nan 0.000 0.536 239 L N 1.540 122.801 121.223 0.063 0.000 2.601 239 L HA 0.430 4.771 4.340 0.001 0.000 0.277 239 L C 0.829 177.781 176.870 0.137 0.000 1.219 239 L CA 0.272 55.185 54.840 0.122 0.000 0.915 239 L CB 0.299 42.459 42.059 0.168 0.000 1.160 239 L HN 0.220 nan 8.230 nan 0.000 0.494 240 L N 7.014 128.309 121.223 0.119 0.000 2.326 240 L HA 0.375 4.715 4.340 0.001 0.000 0.278 240 L C -0.648 176.310 176.870 0.146 0.000 1.092 240 L CA -0.687 54.190 54.840 0.061 0.000 0.810 240 L CB 0.404 42.482 42.059 0.032 0.000 1.153 240 L HN 0.631 nan 8.230 nan 0.000 0.439 241 Y N 1.146 121.465 120.300 0.032 0.000 2.512 241 Y HA 0.680 5.230 4.550 0.001 0.000 0.348 241 Y C -0.928 175.087 175.900 0.190 0.000 0.990 241 Y CA -1.347 56.791 58.100 0.062 0.000 1.033 241 Y CB 1.630 39.888 38.460 -0.338 0.000 1.259 241 Y HN 0.575 nan 8.280 nan 0.000 0.461 242 N N 1.257 120.302 118.700 0.575 0.000 2.503 242 N HA 0.558 5.298 4.740 0.001 0.000 0.287 242 N C -1.892 173.954 175.510 0.560 0.000 1.096 242 N CA -0.404 52.908 53.050 0.437 0.000 0.936 242 N CB 1.600 40.222 38.487 0.226 0.000 1.570 242 N HN 0.920 nan 8.380 nan 0.000 0.504 243 S N 2.146 118.139 115.700 0.488 0.000 2.542 243 S HA 0.601 5.072 4.470 0.001 0.000 0.293 243 S C -0.980 173.674 174.600 0.090 0.000 1.089 243 S CA -0.751 57.565 58.200 0.193 0.000 0.961 243 S CB 2.237 65.437 63.200 -0.000 0.000 1.062 243 S HN 0.591 nan 8.310 nan 0.000 0.483 244 Q N 1.214 121.020 119.800 0.010 0.000 2.305 244 Q HA 0.505 4.845 4.340 0.001 0.000 0.271 244 Q C -1.392 174.606 176.000 -0.002 0.000 1.046 244 Q CA -0.722 55.093 55.803 0.021 0.000 0.798 244 Q CB 1.985 30.754 28.738 0.051 0.000 1.286 244 Q HN 0.654 nan 8.270 nan 0.000 0.435 245 I N 2.281 122.855 120.570 0.007 0.000 2.355 245 I HA 0.356 4.526 4.170 0.001 0.000 0.288 245 I C -0.253 175.898 176.117 0.057 0.000 0.999 245 I CA -0.469 60.845 61.300 0.022 0.000 1.163 245 I CB 1.198 39.203 38.000 0.009 0.000 1.316 245 I HN 0.467 nan 8.210 nan 0.000 0.454 246 K N 6.421 126.879 120.400 0.097 0.000 2.316 246 K HA 0.481 4.801 4.320 0.001 0.000 0.267 246 K C -1.080 175.601 176.600 0.135 0.000 1.025 246 K CA -0.448 55.909 56.287 0.117 0.000 0.896 246 K CB 1.384 33.970 32.500 0.144 0.000 1.124 246 K HN 0.397 nan 8.250 nan 0.000 0.451 247 V N 4.539 124.506 119.914 0.087 0.000 2.488 247 V HA 0.173 4.294 4.120 0.001 0.000 0.277 247 V C -0.093 176.046 176.094 0.076 0.000 1.046 247 V CA -0.624 61.718 62.300 0.070 0.000 0.986 247 V CB 1.305 33.145 31.823 0.029 0.000 0.989 247 V HN 0.431 nan 8.190 nan 0.000 0.475 248 V N 6.664 126.626 119.914 0.081 0.000 2.340 248 V HA 0.351 4.471 4.120 0.001 0.000 0.277 248 V C -0.052 176.066 176.094 0.041 0.000 1.017 248 V CA -0.483 61.871 62.300 0.089 0.000 0.820 248 V CB 1.159 33.098 31.823 0.193 0.000 1.028 248 V HN 0.678 nan 8.190 nan 0.000 0.436 249 L N 2.663 123.896 121.223 0.016 0.000 2.485 249 L HA 0.253 4.593 4.340 0.001 0.000 0.275 249 L C 0.387 177.262 176.870 0.009 0.000 1.207 249 L CA -0.033 54.806 54.840 -0.002 0.000 0.855 249 L CB 0.211 42.258 42.059 -0.021 0.000 1.114 249 L HN 0.490 nan 8.230 nan 0.000 0.485 250 D N 2.524 122.923 120.400 -0.001 0.000 2.371 250 D HA 0.063 4.704 4.640 0.001 0.000 0.256 250 D C 0.386 176.692 176.300 0.011 0.000 1.193 250 D CA 0.274 54.277 54.000 0.006 0.000 0.881 250 D CB 0.077 40.872 40.800 -0.009 0.000 1.143 250 D HN 0.587 nan 8.370 nan 0.000 0.473 251 N N 2.253 120.966 118.700 0.022 0.000 2.700 251 N HA -0.272 4.469 4.740 0.001 0.000 0.265 251 N C 1.017 176.534 175.510 0.011 0.000 0.975 251 N CA 1.041 54.103 53.050 0.020 0.000 0.800 251 N CB -1.269 37.231 38.487 0.021 0.000 0.908 251 N HN 0.679 nan 8.380 nan 0.000 0.551 252 G N -1.282 107.523 108.800 0.009 0.000 2.579 252 G HA2 -0.388 3.573 3.960 0.001 0.000 0.222 252 G HA3 -0.388 3.573 3.960 0.001 0.000 0.222 252 G C -0.097 174.799 174.900 -0.007 0.000 1.201 252 G CA 0.231 45.332 45.100 0.002 0.000 0.710 252 G HN 0.687 nan 8.290 nan 0.000 0.516 253 E N 1.620 121.816 120.200 -0.007 0.000 2.493 253 E HA 0.460 4.811 4.350 0.001 0.000 0.255 253 E C 0.687 177.274 176.600 -0.022 0.000 0.999 253 E CA 1.609 58.002 56.400 -0.012 0.000 0.934 253 E CB 0.403 30.098 29.700 -0.009 0.000 0.940 253 E HN 1.746 nan 8.360 nan 0.000 0.473 254 G N 2.131 110.914 108.800 -0.028 0.000 2.402 254 G HA2 -0.046 3.915 3.960 0.001 0.000 0.666 254 G HA3 -0.046 3.915 3.960 0.001 0.000 0.666 254 G C -0.686 174.182 174.900 -0.053 0.000 1.402 254 G CA -0.978 44.096 45.100 -0.044 0.000 0.920 254 G HN 0.355 nan 8.290 nan 0.000 0.651 255 T N 1.454 115.969 114.554 -0.066 0.000 2.794 255 T HA 0.441 4.792 4.350 0.001 0.000 0.304 255 T C 0.193 174.834 174.700 -0.099 0.000 0.973 255 T CA -0.165 61.894 62.100 -0.069 0.000 0.972 255 T CB 1.144 69.975 68.868 -0.061 0.000 0.952 255 T HN 0.834 nan 8.240 nan 0.000 0.509 256 L N 5.071 126.241 121.223 -0.087 0.000 2.259 256 L HA 0.533 4.874 4.340 0.001 0.000 0.288 256 L C 0.130 176.953 176.870 -0.078 0.000 1.051 256 L CA -0.000 54.779 54.840 -0.102 0.000 0.824 256 L CB 0.065 42.075 42.059 -0.082 0.000 1.206 256 L HN 0.679 nan 8.230 nan 0.000 0.429 257 S N 2.433 118.081 115.700 -0.088 0.000 2.599 257 S HA 0.546 5.017 4.470 0.001 0.000 0.294 257 S C -0.457 174.105 174.600 -0.063 0.000 1.094 257 S CA -0.943 57.218 58.200 -0.065 0.000 0.931 257 S CB 1.475 64.639 63.200 -0.062 0.000 1.093 257 S HN 0.664 nan 8.310 nan 0.000 0.488 258 E N 0.701 120.874 120.200 -0.044 0.000 2.392 258 E HA 0.352 4.702 4.350 0.001 0.000 0.264 258 E C 0.723 177.298 176.600 -0.041 0.000 1.024 258 E CA -0.331 56.047 56.400 -0.037 0.000 0.903 258 E CB 0.231 29.916 29.700 -0.025 0.000 0.963 258 E HN 0.857 nan 8.360 nan 0.000 0.432 259 G N 1.695 110.472 108.800 -0.038 0.000 2.559 259 G HA2 -0.071 3.890 3.960 0.001 0.000 0.235 259 G HA3 -0.071 3.890 3.960 0.001 0.000 0.235 259 G C 0.657 175.538 174.900 -0.032 0.000 1.266 259 G CA 0.157 45.234 45.100 -0.038 0.000 0.847 259 G HN 0.556 nan 8.290 nan 0.000 0.583 260 S N -0.580 115.100 115.700 -0.033 0.000 2.851 260 S HA 0.010 4.481 4.470 0.001 0.000 0.227 260 S C 0.857 175.442 174.600 -0.026 0.000 0.958 260 S CA 0.787 58.970 58.200 -0.029 0.000 0.990 260 S CB -0.031 63.151 63.200 -0.030 0.000 0.790 260 S HN 0.739 nan 8.310 nan 0.000 0.509 261 D N -1.628 118.758 120.400 -0.025 0.000 2.538 261 D HA 0.157 4.798 4.640 0.001 0.000 0.241 261 D C 1.273 177.563 176.300 -0.018 0.000 1.297 261 D CA 0.457 54.443 54.000 -0.023 0.000 0.804 261 D CB -0.150 40.633 40.800 -0.027 0.000 1.122 261 D HN 0.502 nan 8.370 nan 0.000 0.519 262 G N 0.981 109.772 108.800 -0.016 0.000 2.284 262 G HA2 -0.323 3.637 3.960 0.001 0.000 0.261 262 G HA3 -0.323 3.637 3.960 0.001 0.000 0.261 262 G C 0.963 175.860 174.900 -0.005 0.000 0.997 262 G CA 0.415 45.509 45.100 -0.011 0.000 0.621 262 G HN 0.963 nan 8.290 nan 0.000 0.534 263 A N -0.139 122.678 122.820 -0.005 0.000 2.610 263 A HA 0.749 5.070 4.320 0.001 0.000 0.286 263 A C 0.798 178.387 177.584 0.009 0.000 1.306 263 A CA 1.327 53.367 52.037 0.005 0.000 0.942 263 A CB -0.061 18.941 19.000 0.003 0.000 1.112 263 A HN 1.805 nan 8.150 nan 0.000 0.527 264 S N -1.383 114.318 115.700 0.002 0.000 2.615 264 S HA 0.772 5.242 4.470 0.001 0.000 0.269 264 S C -1.173 173.420 174.600 -0.011 0.000 1.161 264 S CA -0.732 57.471 58.200 0.004 0.000 0.817 264 S CB 1.105 64.306 63.200 0.001 0.000 1.131 264 S HN 0.185 nan 8.310 nan 0.000 0.467 265 L N 0.763 121.976 121.223 -0.017 0.000 2.362 265 L HA 0.632 4.972 4.340 0.001 0.000 0.275 265 L C -0.577 176.222 176.870 -0.119 0.000 0.998 265 L CA -0.586 54.221 54.840 -0.055 0.000 0.820 265 L CB 2.083 44.116 42.059 -0.043 0.000 1.270 265 L HN 0.695 nan 8.230 nan 0.000 0.415 266 K N 1.797 122.106 120.400 -0.151 0.000 2.185 266 K HA 0.642 4.963 4.320 0.001 0.000 0.269 266 K C -1.249 175.165 176.600 -0.310 0.000 0.987 266 K CA -0.440 55.715 56.287 -0.220 0.000 0.865 266 K CB 1.781 34.194 32.500 -0.145 0.000 1.090 266 K HN 0.248 nan 8.250 nan 0.000 0.450 267 V N 3.438 123.045 119.914 -0.510 0.000 2.448 267 V HA 0.459 4.580 4.120 0.001 0.000 0.295 267 V C -0.974 174.903 176.094 -0.363 0.000 1.025 267 V CA -0.568 61.420 62.300 -0.521 0.000 0.859 267 V CB 1.723 32.983 31.823 -0.937 0.000 0.988 267 V HN 0.945 nan 8.190 nan 0.000 0.431 268 S N 2.647 118.219 115.700 -0.213 0.000 2.548 268 S HA 0.564 5.035 4.470 0.001 0.000 0.286 268 S C -0.399 174.155 174.600 -0.076 0.000 1.098 268 S CA -0.790 57.335 58.200 -0.125 0.000 0.930 268 S CB 1.816 64.963 63.200 -0.089 0.000 1.070 268 S HN 0.835 nan 8.310 nan 0.000 0.480 269 D N -0.276 120.103 120.400 -0.035 0.000 2.911 269 D HA -0.173 4.468 4.640 0.001 0.000 0.227 269 D C 0.394 176.687 176.300 -0.012 0.000 1.164 269 D CA 1.229 55.223 54.000 -0.010 0.000 0.782 269 D CB -1.311 39.483 40.800 -0.010 0.000 1.094 269 D HN 0.825 nan 8.370 nan 0.000 0.425 270 A N -0.227 122.583 122.820 -0.017 0.000 2.272 270 A HA 0.556 4.877 4.320 0.001 0.000 0.275 270 A C 1.007 178.600 177.584 0.015 0.000 1.096 270 A CA 0.937 52.970 52.037 -0.006 0.000 0.822 270 A CB 1.037 20.032 19.000 -0.010 0.000 1.088 270 A HN 0.260 nan 8.150 nan 0.000 0.495 271 K N -2.412 117.991 120.400 0.005 0.000 4.614 271 K HA 0.031 4.352 4.320 0.001 0.000 0.606 271 K C -0.317 176.280 176.600 -0.005 0.000 1.844 271 K CA 0.642 56.925 56.287 -0.007 0.000 1.063 271 K CB -1.260 31.234 32.500 -0.010 0.000 1.763 271 K HN 1.930 nan 8.250 nan 0.000 0.391 272 A N 0.506 123.316 122.820 -0.018 0.000 2.393 272 A HA 0.694 5.015 4.320 0.001 0.000 0.306 272 A C -1.244 176.314 177.584 -0.043 0.000 1.050 272 A CA -0.495 51.516 52.037 -0.043 0.000 0.724 272 A CB 1.708 20.663 19.000 -0.075 0.000 1.248 272 A HN 0.286 nan 8.150 nan 0.000 0.424 273 V N 0.996 120.879 119.914 -0.052 0.000 2.823 273 V HA 0.716 4.837 4.120 0.001 0.000 0.312 273 V C -0.234 175.769 176.094 -0.152 0.000 1.072 273 V CA -0.555 61.724 62.300 -0.035 0.000 0.937 273 V CB 2.355 34.247 31.823 0.115 0.000 1.013 273 V HN 0.918 nan 8.190 nan 0.000 0.430 274 T N 4.607 119.066 114.554 -0.159 0.000 2.809 274 T HA 0.628 4.978 4.350 0.001 0.000 0.284 274 T C -0.753 173.765 174.700 -0.303 0.000 0.992 274 T CA -0.371 61.537 62.100 -0.320 0.000 0.957 274 T CB 1.172 69.827 68.868 -0.354 0.000 0.942 274 T HN 0.235 nan 8.240 nan 0.000 0.439 275 L N 3.657 124.685 121.223 -0.325 0.000 2.292 275 L HA 0.458 4.798 4.340 0.001 0.000 0.284 275 L C -0.818 175.823 176.870 -0.383 0.000 1.065 275 L CA -0.451 54.263 54.840 -0.211 0.000 0.806 275 L CB 0.205 42.213 42.059 -0.084 0.000 1.175 275 L HN 0.602 nan 8.230 nan 0.000 0.431 276 Y N 4.484 124.787 120.300 0.005 0.000 2.328 276 Y HA 0.610 5.160 4.550 0.001 0.000 0.337 276 Y C -0.124 175.781 175.900 0.007 0.000 0.966 276 Y CA -0.486 57.617 58.100 0.006 0.000 1.136 276 Y CB 1.106 39.581 38.460 0.025 0.000 1.170 276 Y HN 0.358 nan 8.280 nan 0.000 0.470 277 I N 3.232 123.879 120.570 0.128 0.000 2.465 277 I HA 0.820 4.990 4.170 0.001 0.000 0.291 277 I C -0.449 175.725 176.117 0.094 0.000 1.014 277 I CA -0.654 60.682 61.300 0.061 0.000 1.093 277 I CB 1.791 39.807 38.000 0.027 0.000 1.267 277 I HN 0.681 nan 8.210 nan 0.000 0.431 278 A N 4.615 127.466 122.820 0.051 0.000 2.572 278 A HA 1.006 5.326 4.320 0.001 0.000 0.295 278 A C -1.412 176.193 177.584 0.036 0.000 1.072 278 A CA -0.524 51.560 52.037 0.078 0.000 0.691 278 A CB 1.926 20.977 19.000 0.086 0.000 1.291 278 A HN 0.902 nan 8.150 nan 0.000 0.404 279 A N -0.170 122.683 122.820 0.055 0.000 2.594 279 A HA 1.038 5.358 4.320 0.001 0.000 0.295 279 A C -0.562 177.082 177.584 0.100 0.000 1.071 279 A CA 0.063 52.093 52.037 -0.011 0.000 0.685 279 A CB 1.238 20.021 19.000 -0.362 0.000 1.285 279 A HN 2.717 nan 8.150 nan 0.000 0.405 280 A N 0.135 123.116 122.820 0.268 0.000 2.612 280 A HA 0.938 5.258 4.320 0.001 0.000 0.293 280 A C -0.234 177.629 177.584 0.466 0.000 1.075 280 A CA 0.196 52.424 52.037 0.319 0.000 0.680 280 A CB 0.952 20.084 19.000 0.221 0.000 1.279 280 A HN 2.326 nan 8.150 nan 0.000 0.411 281 T N -1.923 112.869 114.554 0.397 0.000 2.905 281 T HA 0.585 4.935 4.350 0.001 0.000 0.283 281 T C -0.062 174.801 174.700 0.271 0.000 1.031 281 T CA 0.286 62.596 62.100 0.351 0.000 1.002 281 T CB 1.525 70.607 68.868 0.357 0.000 1.200 281 T HN 0.758 nan 8.240 nan 0.000 0.560 282 D N -0.414 120.126 120.400 0.233 0.000 2.370 282 D HA 0.015 4.656 4.640 0.001 0.000 0.230 282 D C 0.203 176.631 176.300 0.213 0.000 1.143 282 D CA -0.537 53.574 54.000 0.184 0.000 0.834 282 D CB -0.881 39.993 40.800 0.123 0.000 0.944 282 D HN 0.582 nan 8.370 nan 0.000 0.504 283 Y N 1.982 122.390 120.300 0.180 0.000 2.683 283 Y HA 0.156 4.707 4.550 0.001 0.000 0.340 283 Y C 0.122 176.118 175.900 0.160 0.000 1.245 283 Y CA 0.333 58.555 58.100 0.203 0.000 1.485 283 Y CB 0.552 39.131 38.460 0.199 0.000 1.328 283 Y HN -0.115 nan 8.280 nan 0.000 0.603 284 K N 4.464 124.401 120.400 -0.772 0.000 2.523 284 K HA 0.170 4.491 4.320 0.001 0.000 0.257 284 K C -1.443 174.635 176.600 -0.869 0.000 0.932 284 K CA -0.819 55.096 56.287 -0.620 0.000 0.812 284 K CB 1.713 34.068 32.500 -0.242 0.000 1.326 284 K HN 0.765 nan 8.250 nan 0.000 0.433 285 Q N 3.771 123.326 119.800 -0.408 0.000 2.664 285 Q HA 0.063 4.403 4.340 0.001 0.000 0.223 285 Q C -1.250 174.614 176.000 -0.226 0.000 1.298 285 Q CA 0.262 55.993 55.803 -0.119 0.000 0.965 285 Q CB 0.226 29.035 28.738 0.118 0.000 1.510 285 Q HN 0.339 nan 8.270 nan 0.000 0.567 286 K N 3.532 123.640 120.400 -0.488 0.000 2.731 286 K HA 0.089 4.410 4.320 0.001 0.000 0.257 286 K C -1.929 174.228 176.600 -0.738 0.000 1.032 286 K CA -0.622 55.400 56.287 -0.441 0.000 0.983 286 K CB 0.777 33.102 32.500 -0.292 0.000 1.248 286 K HN 0.389 nan 8.250 nan 0.000 0.484 287 Y N 5.572 125.438 120.300 -0.724 0.000 2.336 287 Y HA 0.222 4.773 4.550 0.001 0.000 0.331 287 Y C -1.526 174.203 175.900 -0.286 0.000 1.211 287 Y CA -1.008 56.725 58.100 -0.613 0.000 1.346 287 Y CB 1.111 39.412 38.460 -0.265 0.000 1.271 287 Y HN 0.522 nan 8.280 nan 0.000 0.538 288 P HA -0.027 nan 4.420 nan 0.000 0.245 288 P C 0.964 178.090 177.300 -0.289 0.000 1.203 288 P CA 1.103 63.638 63.100 -0.941 0.000 0.792 288 P CB 0.260 31.419 31.700 -0.902 0.000 0.997 289 S N -0.915 114.639 115.700 -0.244 0.000 2.414 289 S HA -0.154 4.317 4.470 0.001 0.000 0.227 289 S C 0.789 175.420 174.600 0.051 0.000 1.022 289 S CA 0.028 58.181 58.200 -0.078 0.000 0.958 289 S CB -1.507 61.639 63.200 -0.090 0.000 0.797 289 S HN 0.072 nan 8.310 nan 0.000 0.493 290 Y N 1.611 121.868 120.300 -0.072 0.000 3.305 290 Y HA -0.174 4.377 4.550 0.001 0.000 0.212 290 Y C 0.468 176.285 175.900 -0.138 0.000 1.248 290 Y CA 0.544 58.586 58.100 -0.096 0.000 1.359 290 Y CB -1.674 36.890 38.460 0.173 0.000 1.407 290 Y HN 0.305 nan 8.280 nan 0.000 0.572 291 R N -1.046 119.423 120.500 -0.052 0.000 2.698 291 R HA 0.400 4.740 4.340 0.001 0.000 0.275 291 R C 1.119 177.391 176.300 -0.047 0.000 1.001 291 R CA 0.050 56.140 56.100 -0.017 0.000 0.896 291 R CB 1.200 31.510 30.300 0.018 0.000 1.218 291 R HN 0.127 nan 8.270 nan 0.000 0.462 292 T N -2.281 112.267 114.554 -0.010 0.000 2.995 292 T HA 0.030 4.381 4.350 0.001 0.000 0.269 292 T C 1.227 175.925 174.700 -0.004 0.000 1.091 292 T CA 1.017 63.114 62.100 -0.006 0.000 1.128 292 T CB 0.015 68.900 68.868 0.028 0.000 0.891 292 T HN 0.921 nan 8.240 nan 0.000 0.492 293 G N 1.049 109.851 108.800 0.002 0.000 2.136 293 G HA2 -0.230 3.731 3.960 0.001 0.000 0.242 293 G HA3 -0.230 3.731 3.960 0.001 0.000 0.242 293 G C -0.243 174.664 174.900 0.012 0.000 0.989 293 G CA 0.129 45.230 45.100 0.002 0.000 0.682 293 G HN 0.671 nan 8.290 nan 0.000 0.522 294 E N 0.809 121.023 120.200 0.024 0.000 2.374 294 E HA 0.490 4.841 4.350 0.001 0.000 0.260 294 E C 1.163 177.778 176.600 0.025 0.000 1.101 294 E CA 0.335 56.752 56.400 0.029 0.000 0.907 294 E CB 0.600 30.326 29.700 0.044 0.000 1.014 294 E HN 0.414 nan 8.360 nan 0.000 0.427 295 T N -1.364 113.203 114.554 0.021 0.000 2.899 295 T HA 0.396 4.747 4.350 0.001 0.000 0.284 295 T C 1.163 175.875 174.700 0.019 0.000 1.004 295 T CA -0.313 61.796 62.100 0.016 0.000 1.043 295 T CB 1.557 70.431 68.868 0.011 0.000 1.013 295 T HN 0.488 nan 8.240 nan 0.000 0.518 296 A N 1.587 124.411 122.820 0.008 0.000 1.903 296 A HA -0.021 4.300 4.320 0.001 0.000 0.219 296 A C 2.650 180.240 177.584 0.011 0.000 1.191 296 A CA 2.415 54.453 52.037 0.001 0.000 0.638 296 A CB -1.643 17.345 19.000 -0.021 0.000 0.823 296 A HN 1.325 nan 8.150 nan 0.000 0.451 297 A N -0.654 122.172 122.820 0.010 0.000 1.933 297 A HA -0.187 4.133 4.320 0.001 0.000 0.218 297 A C 1.928 179.526 177.584 0.024 0.000 1.175 297 A CA 1.792 53.838 52.037 0.015 0.000 0.628 297 A CB -0.543 18.463 19.000 0.011 0.000 0.814 297 A HN 0.676 nan 8.150 nan 0.000 0.444 298 E N -0.407 119.809 120.200 0.026 0.000 2.051 298 E HA -0.120 4.230 4.350 0.001 0.000 0.192 298 E C 2.005 178.632 176.600 0.046 0.000 0.991 298 E CA 1.289 57.709 56.400 0.033 0.000 0.799 298 E CB -0.302 29.416 29.700 0.030 0.000 0.748 298 E HN 0.388 nan 8.360 nan 0.000 0.449 299 V N 2.245 122.192 119.914 0.054 0.000 2.282 299 V HA -0.345 3.775 4.120 0.001 0.000 0.249 299 V C 2.267 178.408 176.094 0.079 0.000 1.057 299 V CA 2.020 64.367 62.300 0.078 0.000 1.032 299 V CB -0.744 31.133 31.823 0.091 0.000 0.645 299 V HN 0.410 nan 8.190 nan 0.000 0.447 300 N N -0.095 118.641 118.700 0.061 0.000 2.149 300 N HA -0.193 4.547 4.740 0.001 0.000 0.188 300 N C 1.758 177.299 175.510 0.052 0.000 1.019 300 N CA 2.115 55.200 53.050 0.058 0.000 0.857 300 N CB -0.005 38.506 38.487 0.040 0.000 0.997 300 N HN 0.559 nan 8.380 nan 0.000 0.426 301 T N 0.925 115.506 114.554 0.044 0.000 2.737 301 T HA -0.029 4.321 4.350 0.001 0.000 0.265 301 T C 1.972 176.698 174.700 0.045 0.000 1.038 301 T CA 0.699 62.823 62.100 0.039 0.000 1.144 301 T CB -0.135 68.752 68.868 0.032 0.000 0.866 301 T HN 0.279 nan 8.240 nan 0.000 0.434 302 R N 0.385 120.917 120.500 0.053 0.000 2.115 302 R HA -0.118 4.223 4.340 0.001 0.000 0.239 302 R C 2.520 178.860 176.300 0.066 0.000 1.133 302 R CA 1.558 57.694 56.100 0.060 0.000 0.935 302 R CB -0.960 29.383 30.300 0.072 0.000 0.853 302 R HN 0.231 nan 8.270 nan 0.000 0.433 303 V N 0.842 120.803 119.914 0.078 0.000 2.343 303 V HA -0.269 3.852 4.120 0.001 0.000 0.247 303 V C 2.455 178.589 176.094 0.065 0.000 1.051 303 V CA 1.946 64.296 62.300 0.084 0.000 1.036 303 V CB -0.854 31.032 31.823 0.105 0.000 0.654 303 V HN 0.478 nan 8.190 nan 0.000 0.451 304 A N -0.187 122.666 122.820 0.056 0.000 1.908 304 A HA -0.242 4.079 4.320 0.001 0.000 0.218 304 A C 2.300 179.903 177.584 0.031 0.000 1.181 304 A CA 1.876 53.938 52.037 0.042 0.000 0.627 304 A CB -0.456 18.566 19.000 0.036 0.000 0.818 304 A HN 0.437 nan 8.150 nan 0.000 0.445 305 K N -0.164 120.255 120.400 0.031 0.000 2.032 305 K HA -0.149 4.172 4.320 0.001 0.000 0.209 305 K C 2.183 178.794 176.600 0.018 0.000 1.048 305 K CA 1.650 57.951 56.287 0.023 0.000 0.927 305 K CB -1.359 31.158 32.500 0.028 0.000 0.712 305 K HN 0.637 nan 8.250 nan 0.000 0.441 306 V N 0.584 120.519 119.914 0.034 0.000 2.332 306 V HA -0.203 3.917 4.120 0.001 0.000 0.248 306 V C 2.381 178.484 176.094 0.016 0.000 1.055 306 V CA 2.214 64.537 62.300 0.038 0.000 1.038 306 V CB -0.994 30.868 31.823 0.065 0.000 0.651 306 V HN 0.109 nan 8.190 nan 0.000 0.450 307 V N -2.568 117.359 119.914 0.022 0.000 2.453 307 V HA -0.130 3.991 4.120 0.001 0.000 0.247 307 V C 2.712 178.753 176.094 -0.088 0.000 1.048 307 V CA 1.837 64.137 62.300 -0.000 0.000 1.049 307 V CB -1.246 30.617 31.823 0.067 0.000 0.672 307 V HN 0.500 nan 8.190 nan 0.000 0.457 308 Q N 0.851 120.622 119.800 -0.048 0.000 2.030 308 Q HA -0.199 4.142 4.340 0.001 0.000 0.204 308 Q C 2.190 178.130 176.000 -0.100 0.000 0.986 308 Q CA 2.302 58.068 55.803 -0.062 0.000 0.843 308 Q CB -0.675 28.049 28.738 -0.023 0.000 0.904 308 Q HN 0.711 nan 8.270 nan 0.000 0.420 309 D N 0.112 120.468 120.400 -0.074 0.000 2.144 309 D HA -0.100 4.540 4.640 0.001 0.000 0.199 309 D C 1.698 177.925 176.300 -0.121 0.000 0.984 309 D CA 1.256 55.216 54.000 -0.066 0.000 0.834 309 D CB -0.045 40.742 40.800 -0.021 0.000 0.955 309 D HN 0.227 nan 8.370 nan 0.000 0.465 310 A N 1.436 124.140 122.820 -0.193 0.000 1.858 310 A HA -0.073 4.247 4.320 0.001 0.000 0.216 310 A C 2.389 179.564 177.584 -0.681 0.000 1.190 310 A CA 2.344 54.184 52.037 -0.329 0.000 0.617 310 A CB -0.846 17.975 19.000 -0.298 0.000 0.827 310 A HN 0.232 nan 8.150 nan 0.000 0.443 311 A N 0.292 122.578 122.820 -0.891 0.000 1.917 311 A HA -0.243 4.078 4.320 0.001 0.000 0.219 311 A C 1.889 179.343 177.584 -0.217 0.000 1.182 311 A CA 2.000 53.643 52.037 -0.657 0.000 0.633 311 A CB -0.713 18.086 19.000 -0.334 0.000 0.819 311 A HN 0.569 nan 8.150 nan 0.000 0.448 312 N N -0.199 118.411 118.700 -0.150 0.000 2.244 312 N HA -0.096 4.645 4.740 0.001 0.000 0.183 312 N C 1.582 177.077 175.510 -0.025 0.000 1.016 312 N CA 1.258 54.274 53.050 -0.057 0.000 0.866 312 N CB -0.302 38.161 38.487 -0.041 0.000 0.980 312 N HN 0.562 nan 8.380 nan 0.000 0.430 313 K N 0.279 120.657 120.400 -0.037 0.000 2.097 313 K HA 0.012 4.332 4.320 0.001 0.000 0.205 313 K C 0.710 177.346 176.600 0.059 0.000 1.050 313 K CA 0.769 57.064 56.287 0.015 0.000 0.938 313 K CB -0.181 32.334 32.500 0.026 0.000 0.718 313 K HN 0.282 nan 8.250 nan 0.000 0.442 314 G N -0.127 108.720 108.800 0.080 0.000 2.733 314 G HA2 -0.315 3.646 3.960 0.001 0.000 0.686 314 G HA3 -0.315 3.646 3.960 0.001 0.000 0.686 314 G C 0.027 175.113 174.900 0.310 0.000 1.373 314 G CA 0.011 45.234 45.100 0.205 0.000 0.838 314 G HN 0.249 nan 8.290 nan 0.000 0.588 315 Y N 1.098 121.560 120.300 0.270 0.000 2.081 315 Y HA -0.223 4.328 4.550 0.001 0.000 0.280 315 Y C 3.269 179.287 175.900 0.197 0.000 1.163 315 Y CA 4.085 62.333 58.100 0.246 0.000 1.135 315 Y CB -0.651 37.897 38.460 0.146 0.000 0.970 315 Y HN 1.243 nan 8.280 nan 0.000 0.498 316 T N -1.244 113.313 114.554 0.005 0.000 2.720 316 T HA -0.210 4.140 4.350 0.001 0.000 0.268 316 T C 2.057 176.708 174.700 -0.081 0.000 1.037 316 T CA 1.726 63.753 62.100 -0.123 0.000 1.144 316 T CB -1.125 67.754 68.868 0.019 0.000 0.864 316 T HN 0.426 nan 8.240 nan 0.000 0.444 317 A N 1.817 124.645 122.820 0.013 0.000 1.855 317 A HA 0.106 4.426 4.320 0.001 0.000 0.215 317 A C 2.789 180.401 177.584 0.046 0.000 1.191 317 A CA 2.107 54.162 52.037 0.030 0.000 0.613 317 A CB -1.247 17.785 19.000 0.053 0.000 0.829 317 A HN 0.936 nan 8.150 nan 0.000 0.442 318 V N -0.548 119.428 119.914 0.105 0.000 2.358 318 V HA -0.228 3.893 4.120 0.001 0.000 0.246 318 V C 2.212 178.400 176.094 0.158 0.000 1.047 318 V CA 2.719 65.131 62.300 0.187 0.000 1.035 318 V CB -0.873 31.143 31.823 0.322 0.000 0.658 318 V HN 0.599 nan 8.190 nan 0.000 0.452 319 K N 0.558 120.965 120.400 0.011 0.000 2.032 319 K HA -0.254 4.066 4.320 0.001 0.000 0.209 319 K C 2.458 178.936 176.600 -0.204 0.000 1.048 319 K CA 2.087 58.214 56.287 -0.266 0.000 0.927 319 K CB -0.386 31.796 32.500 -0.529 0.000 0.712 319 K HN 0.578 nan 8.250 nan 0.000 0.441 320 K N 0.250 120.577 120.400 -0.122 0.000 2.057 320 K HA -0.130 4.190 4.320 0.001 0.000 0.207 320 K C 1.953 178.531 176.600 -0.037 0.000 1.049 320 K CA 1.367 57.608 56.287 -0.076 0.000 0.931 320 K CB -0.198 32.276 32.500 -0.044 0.000 0.714 320 K HN 0.255 nan 8.250 nan 0.000 0.440 321 A N 1.195 124.020 122.820 0.009 0.000 1.930 321 A HA -0.196 4.124 4.320 0.001 0.000 0.217 321 A C 2.169 179.791 177.584 0.063 0.000 1.175 321 A CA 1.493 53.557 52.037 0.046 0.000 0.627 321 A CB -0.856 18.192 19.000 0.080 0.000 0.815 321 A HN 0.594 nan 8.150 nan 0.000 0.443 322 H N -0.491 118.561 119.070 -0.031 0.000 2.326 322 H HA -0.087 4.469 4.556 0.001 0.000 0.301 322 H C 1.877 177.176 175.328 -0.049 0.000 1.081 322 H CA 1.907 57.933 56.048 -0.036 0.000 1.334 322 H CB -0.089 29.576 29.762 -0.161 0.000 1.385 322 H HN 0.341 nan 8.280 nan 0.000 0.504 323 I N 1.885 122.274 120.570 -0.301 0.000 2.226 323 I HA -0.226 3.944 4.170 0.001 0.000 0.245 323 I C 2.150 178.193 176.117 -0.122 0.000 1.100 323 I CA 1.214 62.353 61.300 -0.269 0.000 1.374 323 I CB -0.593 37.313 38.000 -0.157 0.000 1.057 323 I HN 0.232 nan 8.210 nan 0.000 0.413 324 D N 0.235 120.591 120.400 -0.073 0.000 2.092 324 D HA -0.249 4.392 4.640 0.001 0.000 0.193 324 D C 1.909 178.201 176.300 -0.013 0.000 0.994 324 D CA 1.732 55.718 54.000 -0.024 0.000 0.828 324 D CB -0.404 40.392 40.800 -0.006 0.000 0.963 324 D HN 0.425 nan 8.370 nan 0.000 0.450 325 D N -0.836 119.553 120.400 -0.019 0.000 2.084 325 D HA -0.200 4.440 4.640 0.001 0.000 0.194 325 D C 2.032 178.330 176.300 -0.004 0.000 0.990 325 D CA 1.201 55.205 54.000 0.006 0.000 0.826 325 D CB -0.070 40.755 40.800 0.042 0.000 0.971 325 D HN 0.221 nan 8.370 nan 0.000 0.453 326 H N -0.038 118.935 119.070 -0.161 0.000 2.290 326 H HA -0.135 4.422 4.556 0.001 0.000 0.298 326 H C 2.117 177.456 175.328 0.018 0.000 1.087 326 H CA 2.274 58.254 56.048 -0.114 0.000 1.291 326 H CB -0.356 29.222 29.762 -0.307 0.000 1.369 326 H HN 0.313 nan 8.280 nan 0.000 0.492 327 S N 0.420 116.152 115.700 0.054 0.000 2.423 327 S HA 0.001 4.472 4.470 0.001 0.000 0.231 327 S C 2.415 177.053 174.600 0.063 0.000 1.014 327 S CA 0.792 59.057 58.200 0.109 0.000 0.965 327 S CB -0.428 62.849 63.200 0.129 0.000 0.785 327 S HN 0.553 nan 8.310 nan 0.000 0.495 328 A N 1.802 124.636 122.820 0.023 0.000 1.940 328 A HA 0.047 4.367 4.320 0.001 0.000 0.219 328 A C 2.133 179.725 177.584 0.012 0.000 1.176 328 A CA 1.631 53.680 52.037 0.021 0.000 0.631 328 A CB -0.657 18.353 19.000 0.016 0.000 0.814 328 A HN 0.644 nan 8.150 nan 0.000 0.446 329 I N -3.346 117.214 120.570 -0.016 0.000 2.556 329 I HA -0.052 4.119 4.170 0.001 0.000 0.251 329 I C 2.328 178.436 176.117 -0.014 0.000 1.105 329 I CA 0.791 62.078 61.300 -0.022 0.000 1.436 329 I CB -0.404 37.570 38.000 -0.043 0.000 1.139 329 I HN 0.391 nan 8.210 nan 0.000 0.438 330 Y N 2.148 122.345 120.300 -0.172 0.000 2.165 330 Y HA -0.295 4.256 4.550 0.001 0.000 0.286 330 Y C 1.827 177.741 175.900 0.024 0.000 1.155 330 Y CA 1.774 59.823 58.100 -0.085 0.000 1.164 330 Y CB -0.145 38.232 38.460 -0.138 0.000 0.978 330 Y HN 0.177 nan 8.280 nan 0.000 0.513 331 D N -0.370 120.099 120.400 0.115 0.000 2.352 331 D HA -0.024 4.616 4.640 0.001 0.000 0.232 331 D C 1.827 178.135 176.300 0.013 0.000 1.055 331 D CA 0.421 54.467 54.000 0.075 0.000 0.891 331 D CB -0.130 40.750 40.800 0.134 0.000 0.897 331 D HN 0.478 nan 8.370 nan 0.000 0.529 332 R N -0.161 120.333 120.500 -0.010 0.000 2.120 332 R HA 0.003 4.344 4.340 0.001 0.000 0.234 332 R C 0.495 176.804 176.300 0.014 0.000 1.123 332 R CA 0.624 56.729 56.100 0.009 0.000 0.975 332 R CB 0.334 30.642 30.300 0.014 0.000 0.866 332 R HN -0.024 nan 8.270 nan 0.000 0.446 333 V N 1.841 121.746 119.914 -0.015 0.000 2.487 333 V HA 0.268 4.388 4.120 0.001 0.000 0.298 333 V C -0.461 175.636 176.094 0.005 0.000 1.028 333 V CA -0.871 61.445 62.300 0.027 0.000 0.860 333 V CB 1.936 33.810 31.823 0.085 0.000 0.991 333 V HN 0.004 nan 8.190 nan 0.000 0.427 334 K N 4.640 125.053 120.400 0.022 0.000 2.316 334 K HA 0.669 4.990 4.320 0.001 0.000 0.251 334 K C -1.100 175.493 176.600 -0.011 0.000 0.934 334 K CA -0.515 55.778 56.287 0.010 0.000 0.802 334 K CB 3.072 35.578 32.500 0.010 0.000 1.171 334 K HN 0.679 nan 8.250 nan 0.000 0.426 335 I N 1.102 121.651 120.570 -0.036 0.000 2.569 335 I HA 0.266 4.437 4.170 0.001 0.000 0.290 335 I C -1.512 174.533 176.117 -0.121 0.000 1.088 335 I CA -0.476 60.762 61.300 -0.104 0.000 1.047 335 I CB 1.944 39.811 38.000 -0.222 0.000 1.237 335 I HN 0.417 nan 8.210 nan 0.000 0.421 336 D N 7.465 127.764 120.400 -0.168 0.000 2.473 336 D HA 0.354 4.994 4.640 0.001 0.000 0.253 336 D C -0.239 175.888 176.300 -0.288 0.000 1.233 336 D CA -0.188 53.694 54.000 -0.196 0.000 0.908 336 D CB 1.449 42.144 40.800 -0.174 0.000 1.170 336 D HN 0.517 nan 8.370 nan 0.000 0.558 337 L N 2.322 123.375 121.223 -0.284 0.000 2.857 337 L HA 0.370 4.711 4.340 0.001 0.000 0.249 337 L C 1.288 178.025 176.870 -0.222 0.000 1.172 337 L CA 0.006 54.642 54.840 -0.340 0.000 0.980 337 L CB 0.476 42.211 42.059 -0.539 0.000 1.299 337 L HN 0.674 nan 8.230 nan 0.000 0.535 338 G N 0.284 108.980 108.800 -0.174 0.000 2.142 338 G HA2 -0.240 3.721 3.960 0.001 0.000 0.225 338 G HA3 -0.240 3.721 3.960 0.001 0.000 0.225 338 G C -0.002 174.853 174.900 -0.074 0.000 1.015 338 G CA -0.380 44.651 45.100 -0.115 0.000 0.716 338 G HN 0.390 nan 8.290 nan 0.000 0.508 339 Q N 0.995 120.751 119.800 -0.073 0.000 2.395 339 Q HA 0.533 4.873 4.340 0.001 0.000 0.271 339 Q C 1.128 177.113 176.000 -0.025 0.000 1.026 339 Q CA 0.537 56.321 55.803 -0.032 0.000 0.900 339 Q CB 0.660 29.385 28.738 -0.022 0.000 1.266 339 Q HN 0.715 nan 8.270 nan 0.000 0.430 340 S N -0.176 115.523 115.700 -0.002 0.000 2.634 340 S HA 0.792 5.263 4.470 0.001 0.000 0.261 340 S C 0.354 174.958 174.600 0.007 0.000 1.271 340 S CA -0.339 57.859 58.200 -0.003 0.000 0.985 340 S CB 1.050 64.261 63.200 0.018 0.000 0.968 340 S HN 0.757 nan 8.310 nan 0.000 0.568 341 G N -0.927 107.865 108.800 -0.013 0.000 2.870 341 G HA2 0.412 4.373 3.960 0.001 0.000 0.299 341 G HA3 0.412 4.373 3.960 0.001 0.000 0.299 341 G C 0.400 175.298 174.900 -0.003 0.000 1.324 341 G CA -0.254 44.847 45.100 0.003 0.000 0.808 341 G HN 0.900 nan 8.290 nan 0.000 0.535 342 H N -0.893 118.123 119.070 -0.089 0.000 2.489 342 H HA 0.023 4.579 4.556 0.001 0.000 0.293 342 H C 1.418 176.499 175.328 -0.411 0.000 1.066 342 H CA 1.701 57.579 56.048 -0.285 0.000 1.305 342 H CB 0.020 29.351 29.762 -0.720 0.000 1.386 342 H HN 0.201 nan 8.280 nan 0.000 0.551 343 S N 0.368 115.589 115.700 -0.799 0.000 2.524 343 S HA 0.067 4.538 4.470 0.001 0.000 0.216 343 S C 0.725 175.145 174.600 -0.300 0.000 0.987 343 S CA -0.236 57.609 58.200 -0.592 0.000 0.909 343 S CB 0.252 63.061 63.200 -0.651 0.000 0.781 343 S HN 0.305 nan 8.310 nan 0.000 0.521 344 S N 2.895 118.470 115.700 -0.209 0.000 2.566 344 S HA 0.057 4.528 4.470 0.001 0.000 0.280 344 S C -0.039 174.515 174.600 -0.075 0.000 1.343 344 S CA -0.229 57.904 58.200 -0.113 0.000 1.036 344 S CB 0.190 63.355 63.200 -0.059 0.000 0.866 344 S HN 0.316 nan 8.310 nan 0.000 0.526 345 D N 1.076 121.441 120.400 -0.057 0.000 2.425 345 D HA 0.333 4.974 4.640 0.001 0.000 0.247 345 D C 1.188 177.486 176.300 -0.004 0.000 1.147 345 D CA 1.024 55.005 54.000 -0.032 0.000 0.879 345 D CB 0.632 41.413 40.800 -0.030 0.000 1.179 345 D HN 0.864 nan 8.370 nan 0.000 0.456 346 G N 1.380 110.191 108.800 0.018 0.000 2.147 346 G HA2 -0.171 3.789 3.960 0.001 0.000 0.244 346 G HA3 -0.171 3.789 3.960 0.001 0.000 0.244 346 G C 0.511 175.457 174.900 0.077 0.000 1.005 346 G CA 0.149 45.274 45.100 0.043 0.000 0.713 346 G HN 0.831 nan 8.290 nan 0.000 0.515 347 A N -0.768 122.117 122.820 0.109 0.000 2.498 347 A HA 0.639 4.960 4.320 0.001 0.000 0.239 347 A C 0.890 178.663 177.584 0.315 0.000 1.068 347 A CA 0.659 52.825 52.037 0.215 0.000 0.766 347 A CB 0.561 19.703 19.000 0.236 0.000 1.003 347 A HN 1.934 nan 8.150 nan 0.000 0.497 348 V N -0.425 119.636 119.914 0.245 0.000 2.715 348 V HA 0.852 4.973 4.120 0.001 0.000 0.310 348 V C 0.490 176.337 176.094 -0.411 0.000 1.054 348 V CA -0.642 61.668 62.300 0.016 0.000 0.928 348 V CB 0.879 32.682 31.823 -0.034 0.000 1.007 348 V HN 1.638 nan 8.190 nan 0.000 0.437 349 A N 2.634 124.898 122.820 -0.928 0.000 2.448 349 A HA 0.420 4.740 4.320 0.001 0.000 0.239 349 A C 1.353 178.351 177.584 -0.977 0.000 1.080 349 A CA 0.629 51.689 52.037 -1.628 0.000 0.779 349 A CB -0.110 18.216 19.000 -1.123 0.000 1.026 349 A HN 1.125 nan 8.150 nan 0.000 0.499 350 T N 0.915 114.788 114.554 -1.135 0.000 2.788 350 T HA -0.153 4.197 4.350 0.001 0.000 0.268 350 T C 1.458 175.920 174.700 -0.397 0.000 1.044 350 T CA 1.824 63.508 62.100 -0.695 0.000 1.139 350 T CB -0.415 67.990 68.868 -0.772 0.000 0.867 350 T HN 0.903 nan 8.240 nan 0.000 0.454 351 D N 2.249 122.452 120.400 -0.328 0.000 2.117 351 D HA -0.037 4.604 4.640 0.001 0.000 0.197 351 D C 2.183 178.422 176.300 -0.102 0.000 0.987 351 D CA 1.284 55.246 54.000 -0.063 0.000 0.829 351 D CB -0.797 40.058 40.800 0.092 0.000 0.961 351 D HN 0.440 nan 8.370 nan 0.000 0.460 352 A N 0.327 123.046 122.820 -0.169 0.000 1.930 352 A HA -0.008 4.312 4.320 0.001 0.000 0.217 352 A C 2.211 179.741 177.584 -0.089 0.000 1.175 352 A CA 1.263 53.228 52.037 -0.119 0.000 0.627 352 A CB -0.802 18.112 19.000 -0.143 0.000 0.815 352 A HN 0.273 nan 8.150 nan 0.000 0.443 353 L N -0.595 120.549 121.223 -0.131 0.000 2.017 353 L HA -0.131 4.210 4.340 0.001 0.000 0.208 353 L C 2.230 179.102 176.870 0.003 0.000 1.073 353 L CA 2.091 56.895 54.840 -0.059 0.000 0.745 353 L CB -0.650 41.352 42.059 -0.096 0.000 0.894 353 L HN 0.343 nan 8.230 nan 0.000 0.432 354 L N -0.268 120.933 121.223 -0.037 0.000 2.012 354 L HA -0.210 4.130 4.340 0.001 0.000 0.210 354 L C 2.420 179.324 176.870 0.056 0.000 1.073 354 L CA 1.846 56.685 54.840 -0.003 0.000 0.748 354 L CB -0.969 41.075 42.059 -0.026 0.000 0.891 354 L HN 0.212 nan 8.230 nan 0.000 0.431 355 K N 0.134 120.550 120.400 0.027 0.000 2.063 355 K HA -0.067 4.253 4.320 0.001 0.000 0.208 355 K C 2.159 178.789 176.600 0.051 0.000 1.048 355 K CA 1.496 57.804 56.287 0.035 0.000 0.928 355 K CB -1.108 31.398 32.500 0.009 0.000 0.713 355 K HN 0.487 nan 8.250 nan 0.000 0.442 356 A N 0.389 123.239 122.820 0.050 0.000 1.908 356 A HA -0.212 4.109 4.320 0.001 0.000 0.218 356 A C 2.243 179.876 177.584 0.081 0.000 1.181 356 A CA 1.505 53.572 52.037 0.051 0.000 0.627 356 A CB -0.864 18.161 19.000 0.042 0.000 0.818 356 A HN 0.382 nan 8.150 nan 0.000 0.445 357 Y N 0.315 120.612 120.300 -0.005 0.000 2.181 357 Y HA -0.249 4.302 4.550 0.001 0.000 0.288 357 Y C 2.649 178.547 175.900 -0.003 0.000 1.146 357 Y CA 2.283 60.386 58.100 0.004 0.000 1.164 357 Y CB -0.156 38.307 38.460 0.006 0.000 0.982 357 Y HN 0.433 nan 8.280 nan 0.000 0.515 358 Q N -0.494 119.426 119.800 0.201 0.000 2.119 358 Q HA -0.195 4.146 4.340 0.001 0.000 0.201 358 Q C 2.337 178.363 176.000 0.042 0.000 0.972 358 Q CA 1.377 57.250 55.803 0.117 0.000 0.847 358 Q CB -0.185 28.609 28.738 0.094 0.000 0.903 358 Q HN 0.388 nan 8.270 nan 0.000 0.433 359 R N -0.404 120.114 120.500 0.030 0.000 2.115 359 R HA -0.092 4.249 4.340 0.001 0.000 0.230 359 R C 0.903 177.191 176.300 -0.019 0.000 1.111 359 R CA 1.123 57.227 56.100 0.006 0.000 0.976 359 R CB -0.020 30.285 30.300 0.007 0.000 0.870 359 R HN 0.413 nan 8.270 nan 0.000 0.445 360 G N -0.573 108.200 108.800 -0.046 0.000 2.141 360 G HA2 -0.278 3.683 3.960 0.001 0.000 0.242 360 G HA3 -0.278 3.683 3.960 0.001 0.000 0.242 360 G C 0.596 175.463 174.900 -0.055 0.000 0.982 360 G CA 0.639 45.693 45.100 -0.076 0.000 0.662 360 G HN 0.495 nan 8.290 nan 0.000 0.527 361 S N -1.076 114.604 115.700 -0.034 0.000 2.556 361 S HA 0.695 5.165 4.470 0.001 0.000 0.216 361 S C 1.271 175.863 174.600 -0.013 0.000 0.970 361 S CA 1.149 59.338 58.200 -0.019 0.000 0.912 361 S CB 0.618 63.814 63.200 -0.007 0.000 0.790 361 S HN 1.847 nan 8.310 nan 0.000 0.504 362 A N 2.733 125.541 122.820 -0.020 0.000 2.425 362 A HA 0.547 4.868 4.320 0.001 0.000 0.249 362 A C 0.862 178.445 177.584 -0.002 0.000 1.084 362 A CA -0.094 51.947 52.037 0.005 0.000 0.781 362 A CB -0.058 18.966 19.000 0.040 0.000 1.019 362 A HN 0.582 nan 8.150 nan 0.000 0.490 363 T N -0.342 114.223 114.554 0.019 0.000 2.788 363 T HA 0.277 4.628 4.350 0.001 0.000 0.287 363 T C 1.315 176.035 174.700 0.034 0.000 1.007 363 T CA 0.377 62.488 62.100 0.019 0.000 1.005 363 T CB 0.328 69.208 68.868 0.020 0.000 1.012 363 T HN 0.531 nan 8.240 nan 0.000 0.530 364 T N 1.303 115.878 114.554 0.035 0.000 2.684 364 T HA -0.110 4.241 4.350 0.001 0.000 0.267 364 T C 2.399 177.139 174.700 0.068 0.000 1.036 364 T CA 1.670 63.804 62.100 0.057 0.000 1.148 364 T CB -0.989 67.907 68.868 0.047 0.000 0.863 364 T HN 0.801 nan 8.240 nan 0.000 0.436 365 A N 1.243 124.088 122.820 0.043 0.000 1.908 365 A HA -0.205 4.115 4.320 0.001 0.000 0.218 365 A C 2.280 179.900 177.584 0.059 0.000 1.181 365 A CA 1.764 53.822 52.037 0.035 0.000 0.627 365 A CB -0.673 18.336 19.000 0.015 0.000 0.818 365 A HN 0.590 nan 8.150 nan 0.000 0.445 366 Q N -0.499 119.344 119.800 0.071 0.000 2.119 366 Q HA -0.124 4.217 4.340 0.001 0.000 0.201 366 Q C 2.072 178.174 176.000 0.170 0.000 0.972 366 Q CA 1.440 57.301 55.803 0.096 0.000 0.847 366 Q CB -0.162 28.624 28.738 0.080 0.000 0.903 366 Q HN 0.628 nan 8.270 nan 0.000 0.433 367 K N 0.259 120.783 120.400 0.206 0.000 2.063 367 K HA -0.129 4.192 4.320 0.001 0.000 0.208 367 K C 2.077 178.886 176.600 0.348 0.000 1.048 367 K CA 0.934 57.447 56.287 0.376 0.000 0.928 367 K CB -0.002 32.650 32.500 0.254 0.000 0.713 367 K HN 0.052 nan 8.250 nan 0.000 0.442 368 R N 1.055 121.677 120.500 0.204 0.000 2.092 368 R HA -0.117 4.224 4.340 0.001 0.000 0.231 368 R C 2.073 178.417 176.300 0.073 0.000 1.119 368 R CA 1.149 57.316 56.100 0.111 0.000 0.970 368 R CB -0.476 29.831 30.300 0.012 0.000 0.864 368 R HN 0.471 nan 8.270 nan 0.000 0.440 369 E N 0.567 120.815 120.200 0.080 0.000 2.031 369 E HA -0.187 4.163 4.350 0.001 0.000 0.193 369 E C 1.895 178.533 176.600 0.062 0.000 0.994 369 E CA 1.013 57.451 56.400 0.064 0.000 0.800 369 E CB -0.076 29.664 29.700 0.066 0.000 0.752 369 E HN 0.084 nan 8.360 nan 0.000 0.447 370 L N 1.417 122.680 121.223 0.067 0.000 2.046 370 L HA -0.174 4.166 4.340 0.001 0.000 0.208 370 L C 1.967 178.832 176.870 -0.008 0.000 1.077 370 L CA 1.926 56.752 54.840 -0.023 0.000 0.747 370 L CB -0.271 41.702 42.059 -0.144 0.000 0.896 370 L HN 0.141 nan 8.230 nan 0.000 0.432 371 E N -1.205 119.045 120.200 0.084 0.000 2.072 371 E HA -0.201 4.150 4.350 0.001 0.000 0.191 371 E C 2.019 178.717 176.600 0.163 0.000 0.985 371 E CA 1.813 58.311 56.400 0.164 0.000 0.801 371 E CB -0.243 29.672 29.700 0.358 0.000 0.750 371 E HN 0.719 nan 8.360 nan 0.000 0.452 372 T N -0.590 114.025 114.554 0.101 0.000 2.942 372 T HA -0.056 4.295 4.350 0.001 0.000 0.265 372 T C 1.849 176.666 174.700 0.195 0.000 1.062 372 T CA 0.265 62.434 62.100 0.115 0.000 1.139 372 T CB -0.131 68.745 68.868 0.013 0.000 0.883 372 T HN -0.068 nan 8.240 nan 0.000 0.468 373 L N 1.383 122.684 121.223 0.130 0.000 2.012 373 L HA 0.032 4.372 4.340 0.001 0.000 0.210 373 L C 2.855 179.807 176.870 0.137 0.000 1.073 373 L CA 1.116 56.024 54.840 0.113 0.000 0.748 373 L CB -0.985 41.088 42.059 0.022 0.000 0.891 373 L HN 0.181 nan 8.230 nan 0.000 0.431 374 V N -1.502 118.485 119.914 0.121 0.000 2.407 374 V HA -0.337 3.784 4.120 0.001 0.000 0.248 374 V C 2.224 178.453 176.094 0.225 0.000 1.055 374 V CA 1.790 64.185 62.300 0.158 0.000 1.049 374 V CB -0.820 31.059 31.823 0.093 0.000 0.662 374 V HN 0.526 nan 8.190 nan 0.000 0.455 375 Y N 1.487 121.878 120.300 0.151 0.000 2.114 375 Y HA -0.258 4.292 4.550 0.001 0.000 0.284 375 Y C 2.505 178.520 175.900 0.191 0.000 1.143 375 Y CA 2.004 60.202 58.100 0.162 0.000 1.135 375 Y CB -0.249 38.288 38.460 0.128 0.000 0.980 375 Y HN 0.133 nan 8.280 nan 0.000 0.499 376 K N -1.141 119.402 120.400 0.238 0.000 2.147 376 K HA -0.220 4.100 4.320 0.001 0.000 0.205 376 K C 1.930 178.734 176.600 0.340 0.000 1.049 376 K CA 1.438 57.867 56.287 0.236 0.000 0.936 376 K CB -0.480 32.247 32.500 0.379 0.000 0.722 376 K HN 0.355 nan 8.250 nan 0.000 0.446 377 Y N 1.249 121.643 120.300 0.155 0.000 2.293 377 Y HA -0.061 4.489 4.550 0.001 0.000 0.291 377 Y C 2.217 178.234 175.900 0.195 0.000 1.137 377 Y CA 1.073 59.283 58.100 0.182 0.000 1.202 377 Y CB -0.699 37.803 38.460 0.070 0.000 0.990 377 Y HN 0.029 nan 8.280 nan 0.000 0.537 378 G N -0.207 108.671 108.800 0.130 0.000 2.422 378 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 378 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 378 G C 1.857 176.863 174.900 0.176 0.000 1.146 378 G CA 0.630 45.764 45.100 0.056 0.000 0.769 378 G HN 0.336 nan 8.290 nan 0.000 0.547 379 R N -1.052 119.496 120.500 0.079 0.000 2.062 379 R HA -0.022 4.318 4.340 0.001 0.000 0.229 379 R C 2.299 178.757 176.300 0.264 0.000 1.128 379 R CA 1.128 57.286 56.100 0.097 0.000 0.960 379 R CB -0.689 29.590 30.300 -0.035 0.000 0.855 379 R HN 0.457 nan 8.270 nan 0.000 0.432 380 Y N 1.878 122.373 120.300 0.324 0.000 2.102 380 Y HA -0.259 4.292 4.550 0.001 0.000 0.280 380 Y C 1.920 178.000 175.900 0.300 0.000 1.178 380 Y CA 1.667 60.007 58.100 0.400 0.000 1.146 380 Y CB -0.272 38.454 38.460 0.444 0.000 0.968 380 Y HN -0.029 nan 8.280 nan 0.000 0.504 381 L N -0.918 120.442 121.223 0.228 0.000 2.217 381 L HA -0.183 4.157 4.340 0.001 0.000 0.211 381 L C 2.267 179.385 176.870 0.414 0.000 1.107 381 L CA 1.471 56.442 54.840 0.219 0.000 0.783 381 L CB -0.679 41.381 42.059 0.002 0.000 0.919 381 L HN 0.254 nan 8.230 nan 0.000 0.442 382 T N 0.212 114.984 114.554 0.362 0.000 2.737 382 T HA -0.126 4.224 4.350 0.001 0.000 0.265 382 T C 1.912 176.638 174.700 0.045 0.000 1.038 382 T CA 1.279 63.434 62.100 0.091 0.000 1.144 382 T CB -0.171 68.642 68.868 -0.091 0.000 0.866 382 T HN 0.186 nan 8.240 nan 0.000 0.434 383 I N 1.346 121.946 120.570 0.051 0.000 2.208 383 I HA -0.127 4.044 4.170 0.001 0.000 0.245 383 I C 2.865 179.025 176.117 0.071 0.000 1.097 383 I CA 1.410 62.733 61.300 0.040 0.000 1.363 383 I CB -0.666 37.352 38.000 0.028 0.000 1.051 383 I HN 0.317 nan 8.210 nan 0.000 0.413 384 G N -0.172 108.672 108.800 0.074 0.000 2.448 384 G HA2 -0.188 3.772 3.960 0.001 0.000 0.218 384 G HA3 -0.188 3.772 3.960 0.001 0.000 0.218 384 G C 1.653 176.608 174.900 0.091 0.000 1.135 384 G CA 1.010 46.235 45.100 0.209 0.000 0.784 384 G HN 0.523 nan 8.290 nan 0.000 0.543 385 S N -2.163 113.555 115.700 0.029 0.000 2.526 385 S HA 0.375 4.846 4.470 0.001 0.000 0.220 385 S C 0.692 175.224 174.600 -0.113 0.000 1.017 385 S CA 0.536 58.609 58.200 -0.212 0.000 0.930 385 S CB 0.590 63.665 63.200 -0.209 0.000 0.856 385 S HN 0.163 nan 8.310 nan 0.000 0.497 386 S N 1.603 117.278 115.700 -0.042 0.000 2.381 386 S HA 0.530 5.001 4.470 0.001 0.000 0.193 386 S C -0.998 173.607 174.600 0.008 0.000 1.287 386 S CA -0.709 57.482 58.200 -0.016 0.000 1.199 386 S CB 0.276 63.458 63.200 -0.030 0.000 1.214 386 S HN 0.258 nan 8.310 nan 0.000 0.444 387 R N 1.543 122.053 120.500 0.017 0.000 2.782 387 R HA 0.398 4.739 4.340 0.001 0.000 0.258 387 R C 1.300 177.619 176.300 0.031 0.000 1.055 387 R CA -0.799 55.320 56.100 0.031 0.000 1.065 387 R CB 0.375 30.704 30.300 0.049 0.000 1.172 387 R HN 0.749 nan 8.270 nan 0.000 0.510 388 E N 0.993 121.213 120.200 0.034 0.000 2.171 388 E HA -0.221 4.129 4.350 0.001 0.000 0.197 388 E C 0.607 177.226 176.600 0.032 0.000 0.997 388 E CA 1.593 58.012 56.400 0.032 0.000 0.810 388 E CB 0.177 29.898 29.700 0.035 0.000 0.738 388 E HN 0.467 nan 8.360 nan 0.000 0.467 389 N N -0.338 118.386 118.700 0.040 0.000 2.235 389 N HA 0.011 4.751 4.740 0.001 0.000 0.209 389 N C -0.565 174.973 175.510 0.046 0.000 1.122 389 N CA -0.144 52.933 53.050 0.044 0.000 0.845 389 N CB 0.417 38.935 38.487 0.053 0.000 1.004 389 N HN -0.188 nan 8.380 nan 0.000 0.499 390 S N 0.802 116.523 115.700 0.036 0.000 2.572 390 S HA 0.061 4.531 4.470 0.001 0.000 0.279 390 S C 1.114 175.739 174.600 0.041 0.000 1.341 390 S CA -0.396 57.822 58.200 0.030 0.000 1.043 390 S CB 1.279 64.483 63.200 0.007 0.000 0.887 390 S HN 0.321 nan 8.310 nan 0.000 0.516 391 Q N 0.571 120.409 119.800 0.063 0.000 2.245 391 Q HA 0.155 4.496 4.340 0.001 0.000 0.201 391 Q C -0.242 175.801 176.000 0.072 0.000 0.955 391 Q CA 0.793 56.660 55.803 0.106 0.000 0.870 391 Q CB 0.002 28.857 28.738 0.196 0.000 0.945 391 Q HN 0.524 nan 8.270 nan 0.000 0.461 392 L N 0.716 121.942 121.223 0.005 0.000 2.393 392 L HA 0.461 4.801 4.340 0.001 0.000 0.260 392 L C -2.433 174.386 176.870 -0.085 0.000 1.002 392 L CA -2.484 52.310 54.840 -0.077 0.000 0.818 392 L CB 2.193 44.216 42.059 -0.061 0.000 1.369 392 L HN -0.136 nan 8.230 nan 0.000 0.412 393 P HA 0.099 nan 4.420 nan 0.000 0.275 393 P C -0.671 176.687 177.300 0.096 0.000 1.266 393 P CA -0.485 62.584 63.100 -0.050 0.000 0.793 393 P CB 0.527 32.087 31.700 -0.233 0.000 1.074 394 S N 0.428 116.192 115.700 0.108 0.000 2.558 394 S HA 0.053 4.523 4.470 0.001 0.000 0.293 394 S C 0.463 175.104 174.600 0.068 0.000 1.292 394 S CA -0.370 57.831 58.200 0.002 0.000 1.063 394 S CB -0.875 62.256 63.200 -0.115 0.000 0.831 394 S HN 0.597 nan 8.310 nan 0.000 0.499 395 N N 2.550 121.178 118.700 -0.121 0.000 2.681 395 N HA 0.331 5.072 4.740 0.001 0.000 0.311 395 N C 0.896 176.255 175.510 -0.253 0.000 1.303 395 N CA -1.012 51.829 53.050 -0.348 0.000 0.926 395 N CB -0.280 37.729 38.487 -0.797 0.000 1.136 395 N HN 0.462 nan 8.380 nan 0.000 0.592 396 L N -1.505 119.537 121.223 -0.301 0.000 2.189 396 L HA -0.172 4.168 4.340 0.001 0.000 0.214 396 L C 1.156 177.826 176.870 -0.333 0.000 1.097 396 L CA 1.543 56.222 54.840 -0.268 0.000 0.764 396 L CB -0.442 41.479 42.059 -0.231 0.000 0.900 396 L HN 0.603 nan 8.230 nan 0.000 0.436 397 Q N -1.435 118.194 119.800 -0.285 0.000 2.155 397 Q HA 0.237 4.577 4.340 0.001 0.000 0.220 397 Q C 1.126 177.185 176.000 0.098 0.000 0.819 397 Q CA 0.347 55.987 55.803 -0.272 0.000 1.032 397 Q CB 1.320 30.028 28.738 -0.049 0.000 1.151 397 Q HN 0.467 nan 8.270 nan 0.000 0.487 398 G N 2.563 111.370 108.800 0.012 0.000 2.950 398 G HA2 -0.367 3.593 3.960 0.001 0.000 0.299 398 G HA3 -0.367 3.593 3.960 0.001 0.000 0.299 398 G C 0.588 175.309 174.900 -0.298 0.000 1.310 398 G CA 0.427 45.551 45.100 0.041 0.000 0.994 398 G HN 0.509 nan 8.290 nan 0.000 0.575 399 I N -4.137 116.059 120.570 -0.624 0.000 4.310 399 I HA 0.466 4.637 4.170 0.001 0.000 0.328 399 I C -0.093 175.846 176.117 -0.296 0.000 1.406 399 I CA -0.665 60.266 61.300 -0.615 0.000 1.174 399 I CB 0.374 37.897 38.000 -0.796 0.000 1.279 399 I HN 0.277 nan 8.210 nan 0.000 0.471 400 W N 3.544 125.017 121.300 0.289 0.000 2.391 400 W HA 0.640 5.301 4.660 0.001 0.000 0.311 400 W C 0.067 176.942 176.519 0.593 0.000 1.087 400 W CA -0.556 57.054 57.345 0.441 0.000 1.209 400 W CB 1.577 31.338 29.460 0.502 0.000 1.273 400 W HN 0.221 nan 8.180 nan 0.000 0.482 401 S N 0.497 116.492 115.700 0.491 0.000 2.570 401 S HA 0.463 4.934 4.470 0.001 0.000 0.270 401 S C -0.934 173.288 174.600 -0.630 0.000 1.149 401 S CA -0.713 57.466 58.200 -0.036 0.000 0.837 401 S CB 2.573 65.758 63.200 -0.025 0.000 1.124 401 S HN 0.221 nan 8.310 nan 0.000 0.465 402 V N 1.041 120.291 119.914 -1.106 0.000 3.572 402 V HA 0.265 4.386 4.120 0.001 0.000 0.260 402 V C 0.774 176.585 176.094 -0.472 0.000 1.324 402 V CA 1.488 63.244 62.300 -0.906 0.000 1.068 402 V CB 0.066 31.132 31.823 -1.262 0.000 0.837 402 V HN 1.165 nan 8.190 nan 0.000 0.450 403 T N 0.187 114.488 114.554 -0.422 0.000 2.913 403 T HA 0.777 5.127 4.350 0.001 0.000 0.287 403 T C -0.250 174.285 174.700 -0.276 0.000 1.008 403 T CA 0.166 62.068 62.100 -0.330 0.000 1.067 403 T CB 1.728 70.378 68.868 -0.362 0.000 0.996 403 T HN 0.833 nan 8.240 nan 0.000 0.513 404 A N 0.474 123.163 122.820 -0.220 0.000 2.589 404 A HA 0.915 5.236 4.320 0.001 0.000 0.296 404 A C -0.235 177.265 177.584 -0.140 0.000 1.062 404 A CA -0.416 51.517 52.037 -0.174 0.000 0.686 404 A CB 1.563 20.538 19.000 -0.040 0.000 1.282 404 A HN 1.612 nan 8.150 nan 0.000 0.404 405 G N -0.108 108.610 108.800 -0.136 0.000 2.632 405 G HA2 0.487 4.448 3.960 0.001 0.000 0.292 405 G HA3 0.487 4.448 3.960 0.001 0.000 0.292 405 G C -0.708 174.129 174.900 -0.106 0.000 1.465 405 G CA -0.291 44.746 45.100 -0.105 0.000 0.824 405 G HN 0.369 nan 8.290 nan 0.000 0.509 406 D N -0.282 120.076 120.400 -0.070 0.000 2.149 406 D HA 0.002 4.642 4.640 0.001 0.000 0.201 406 D C 0.755 177.005 176.300 -0.083 0.000 0.972 406 D CA 1.039 54.999 54.000 -0.067 0.000 0.835 406 D CB 0.213 40.994 40.800 -0.032 0.000 0.966 406 D HN 0.249 nan 8.370 nan 0.000 0.476 407 N N -0.203 118.452 118.700 -0.076 0.000 2.489 407 N HA 0.499 5.239 4.740 0.001 0.000 0.284 407 N C -0.452 174.994 175.510 -0.107 0.000 1.158 407 N CA -0.460 52.550 53.050 -0.066 0.000 0.965 407 N CB 1.324 39.798 38.487 -0.021 0.000 1.195 407 N HN -0.064 nan 8.380 nan 0.000 0.506 408 A N 0.481 123.227 122.820 -0.123 0.000 2.366 408 A HA 0.234 4.555 4.320 0.001 0.000 0.249 408 A C -0.062 177.435 177.584 -0.145 0.000 1.084 408 A CA 0.000 51.891 52.037 -0.244 0.000 0.794 408 A CB -0.220 18.570 19.000 -0.351 0.000 1.034 408 A HN 0.915 nan 8.150 nan 0.000 0.491 409 H N -0.930 118.105 119.070 -0.058 0.000 2.862 409 H HA -0.188 4.369 4.556 0.001 0.000 0.290 409 H C 0.868 176.133 175.328 -0.105 0.000 1.211 409 H CA 1.073 57.073 56.048 -0.079 0.000 1.140 409 H CB -1.762 27.990 29.762 -0.017 0.000 1.341 409 H HN 1.035 nan 8.280 nan 0.000 0.392 410 G N 0.009 108.761 108.800 -0.081 0.000 3.434 410 G HA2 0.058 4.019 3.960 0.001 0.000 0.197 410 G HA3 0.058 4.019 3.960 0.001 0.000 0.197 410 G C 1.183 175.997 174.900 -0.144 0.000 1.559 410 G CA 0.082 45.127 45.100 -0.092 0.000 0.852 410 G HN 0.236 nan 8.290 nan 0.000 0.682 411 N N 0.370 118.976 118.700 -0.156 0.000 2.331 411 N HA -0.025 4.715 4.740 0.001 0.000 0.180 411 N C 0.215 175.583 175.510 -0.238 0.000 1.019 411 N CA 0.841 53.778 53.050 -0.188 0.000 0.881 411 N CB 0.035 38.416 38.487 -0.177 0.000 0.972 411 N HN 0.194 nan 8.380 nan 0.000 0.435 412 T N 3.585 118.000 114.554 -0.233 0.000 2.767 412 T HA 0.267 4.618 4.350 0.001 0.000 0.284 412 T C -2.574 171.983 174.700 -0.239 0.000 0.973 412 T CA -1.371 60.589 62.100 -0.233 0.000 0.996 412 T CB 2.232 70.961 68.868 -0.231 0.000 0.927 412 T HN 0.014 nan 8.240 nan 0.000 0.456 413 P HA -0.026 nan 4.420 nan 0.000 0.266 413 P C 0.320 177.478 177.300 -0.237 0.000 1.215 413 P CA -0.020 62.807 63.100 -0.456 0.000 0.763 413 P CB 0.188 31.642 31.700 -0.410 0.000 0.806 414 W N 2.665 123.887 121.300 -0.130 0.000 4.973 414 W HA -0.198 4.462 4.660 0.001 0.000 0.350 414 W C 1.159 177.583 176.519 -0.159 0.000 1.280 414 W CA 1.224 58.489 57.345 -0.135 0.000 0.854 414 W CB -2.742 26.578 29.460 -0.233 0.000 2.367 414 W HN 0.828 nan 8.180 nan 0.000 1.511 415 G N -0.361 108.382 108.800 -0.094 0.000 2.180 415 G HA2 -0.315 3.646 3.960 0.001 0.000 0.263 415 G HA3 -0.315 3.646 3.960 0.001 0.000 0.263 415 G C 0.668 175.430 174.900 -0.228 0.000 0.989 415 G CA 1.379 46.361 45.100 -0.198 0.000 0.692 415 G HN 1.427 nan 8.290 nan 0.000 0.526 416 S N -0.266 115.363 115.700 -0.119 0.000 3.491 416 S HA -0.221 4.249 4.470 0.001 0.000 0.371 416 S C 0.974 175.399 174.600 -0.292 0.000 0.980 416 S CA 2.051 60.156 58.200 -0.159 0.000 1.204 416 S CB -1.444 61.692 63.200 -0.107 0.000 0.915 416 S HN 1.658 nan 8.310 nan 0.000 0.482 417 D N 0.027 120.335 120.400 -0.154 0.000 2.475 417 D HA 0.448 5.088 4.640 0.001 0.000 0.286 417 D C -0.063 176.017 176.300 -0.367 0.000 1.205 417 D CA -0.520 53.419 54.000 -0.102 0.000 1.092 417 D CB -0.101 40.811 40.800 0.187 0.000 1.147 417 D HN 0.234 nan 8.370 nan 0.000 0.575 418 F N -0.396 119.650 119.950 0.161 0.000 2.308 418 F HA 0.240 4.768 4.527 0.001 0.000 0.370 418 F C 0.293 176.126 175.800 0.055 0.000 1.100 418 F CA -0.603 57.400 58.000 0.005 0.000 1.108 418 F CB 0.609 39.532 39.000 -0.129 0.000 1.293 418 F HN 0.182 nan 8.300 nan 0.000 0.478 419 H N 5.424 124.508 119.070 0.024 0.000 2.623 419 H HA 0.329 4.886 4.556 0.001 0.000 0.299 419 H C 0.324 175.602 175.328 -0.084 0.000 1.052 419 H CA -0.086 55.943 56.048 -0.031 0.000 1.231 419 H CB 1.235 30.891 29.762 -0.176 0.000 1.389 419 H HN 0.631 nan 8.280 nan 0.000 0.469 420 M N 3.143 122.747 119.600 0.007 0.000 2.549 420 M HA -0.002 4.478 4.480 0.001 0.000 0.273 420 M C 0.556 176.841 176.300 -0.025 0.000 1.213 420 M CA 0.046 55.325 55.300 -0.035 0.000 0.976 420 M CB -0.085 32.541 32.600 0.044 0.000 1.457 420 M HN 0.396 nan 8.290 nan 0.000 0.485 421 N N 0.002 118.714 118.700 0.019 0.000 2.328 421 N HA 0.145 4.886 4.740 0.001 0.000 0.247 421 N C 0.322 175.883 175.510 0.085 0.000 1.165 421 N CA -0.155 53.007 53.050 0.186 0.000 0.873 421 N CB 0.917 39.564 38.487 0.266 0.000 1.125 421 N HN 0.129 nan 8.380 nan 0.000 0.513 422 V N -1.096 118.570 119.914 -0.414 0.000 3.657 422 V HA -0.078 4.042 4.120 0.001 0.000 0.290 422 V C 0.411 176.102 176.094 -0.672 0.000 1.859 422 V CA 0.703 62.632 62.300 -0.618 0.000 1.170 422 V CB -1.124 30.553 31.823 -0.243 0.000 0.910 422 V HN 0.175 nan 8.190 nan 0.000 0.387 423 N N 0.477 118.834 118.700 -0.571 0.000 2.135 423 N HA -0.040 4.700 4.740 0.001 0.000 0.186 423 N C 1.419 176.687 175.510 -0.404 0.000 1.027 423 N CA 1.950 54.684 53.050 -0.527 0.000 0.849 423 N CB -0.127 38.066 38.487 -0.490 0.000 1.002 423 N HN 0.535 nan 8.380 nan 0.000 0.425 424 L N 1.136 122.180 121.223 -0.298 0.000 2.046 424 L HA -0.144 4.197 4.340 0.001 0.000 0.208 424 L C 1.788 178.506 176.870 -0.252 0.000 1.077 424 L CA 1.668 56.399 54.840 -0.181 0.000 0.747 424 L CB -0.618 41.399 42.059 -0.070 0.000 0.896 424 L HN 0.115 nan 8.230 nan 0.000 0.432 425 Q N -1.000 118.518 119.800 -0.471 0.000 2.077 425 Q HA -0.276 4.064 4.340 0.001 0.000 0.206 425 Q C 2.323 177.772 176.000 -0.919 0.000 0.989 425 Q CA 2.599 58.063 55.803 -0.566 0.000 0.853 425 Q CB -0.490 27.720 28.738 -0.881 0.000 0.907 425 Q HN 0.585 nan 8.270 nan 0.000 0.418 426 M N 0.164 119.048 119.600 -1.193 0.000 2.159 426 M HA -0.196 4.285 4.480 0.001 0.000 0.263 426 M C 0.949 176.876 176.300 -0.621 0.000 1.063 426 M CA 1.336 55.770 55.300 -1.443 0.000 1.110 426 M CB -0.001 32.023 32.600 -0.959 0.000 1.374 426 M HN 0.167 nan 8.290 nan 0.000 0.411 427 N N -0.163 118.271 118.700 -0.443 0.000 2.192 427 N HA -0.182 4.559 4.740 0.001 0.000 0.188 427 N C 0.367 175.267 175.510 -1.017 0.000 1.013 427 N CA 1.435 54.132 53.050 -0.589 0.000 0.863 427 N CB -0.326 37.821 38.487 -0.567 0.000 0.990 427 N HN 0.526 nan 8.380 nan 0.000 0.430 428 Y N -1.929 118.129 120.300 -0.402 0.000 2.681 428 Y HA 0.176 4.726 4.550 0.001 0.000 0.267 428 Y C 0.715 176.599 175.900 -0.028 0.000 1.166 428 Y CA -0.884 57.042 58.100 -0.291 0.000 1.209 428 Y CB -0.042 38.271 38.460 -0.245 0.000 1.161 428 Y HN 0.027 nan 8.280 nan 0.000 0.534 429 W N 1.394 122.720 121.300 0.043 0.000 2.418 429 W HA 0.010 4.671 4.660 0.001 0.000 0.292 429 W C -0.705 175.871 176.519 0.096 0.000 1.213 429 W CA 0.539 57.981 57.345 0.162 0.000 1.283 429 W CB -1.828 27.823 29.460 0.320 0.000 1.119 429 W HN 0.110 nan 8.180 nan 0.000 0.542 430 P HA 0.095 nan 4.420 nan 0.000 0.261 430 P C 1.124 178.378 177.300 -0.076 0.000 1.268 430 P CA 0.921 64.090 63.100 0.114 0.000 0.833 430 P CB 0.111 31.877 31.700 0.110 0.000 1.231 431 T N -0.645 113.756 114.554 -0.256 0.000 2.788 431 T HA -0.142 4.208 4.350 0.001 0.000 0.268 431 T C 1.341 175.757 174.700 -0.472 0.000 1.044 431 T CA 1.684 63.521 62.100 -0.438 0.000 1.139 431 T CB -0.686 67.828 68.868 -0.591 0.000 0.867 431 T HN 0.124 nan 8.240 nan 0.000 0.454 432 Y N 1.660 121.807 120.300 -0.255 0.000 2.230 432 Y HA 0.063 4.613 4.550 0.001 0.000 0.294 432 Y C 3.010 178.642 175.900 -0.446 0.000 1.120 432 Y CA 0.574 58.347 58.100 -0.544 0.000 1.129 432 Y CB -0.969 36.691 38.460 -1.335 0.000 1.040 432 Y HN 0.224 nan 8.280 nan 0.000 0.519 433 S N 0.188 115.774 115.700 -0.190 0.000 2.447 433 S HA -0.024 4.447 4.470 0.001 0.000 0.233 433 S C 1.762 176.444 174.600 0.138 0.000 1.006 433 S CA 0.674 58.939 58.200 0.108 0.000 0.957 433 S CB -0.587 62.767 63.200 0.257 0.000 0.773 433 S HN 0.301 nan 8.310 nan 0.000 0.507 434 A N 1.238 124.106 122.820 0.080 0.000 2.462 434 A HA 0.393 4.714 4.320 0.001 0.000 0.261 434 A C 0.705 178.319 177.584 0.050 0.000 1.323 434 A CA -0.252 51.846 52.037 0.102 0.000 0.913 434 A CB -0.730 18.305 19.000 0.058 0.000 1.028 434 A HN 0.424 nan 8.150 nan 0.000 0.511 435 N N -0.765 117.963 118.700 0.045 0.000 2.727 435 N HA -0.150 4.591 4.740 0.001 0.000 0.251 435 N C -0.022 175.493 175.510 0.008 0.000 1.040 435 N CA 1.149 54.224 53.050 0.043 0.000 0.712 435 N CB -1.300 37.222 38.487 0.058 0.000 0.912 435 N HN 0.635 nan 8.380 nan 0.000 0.545 436 M N -1.358 118.225 119.600 -0.028 0.000 2.875 436 M HA 0.232 4.712 4.480 0.001 0.000 0.403 436 M C 1.698 177.967 176.300 -0.052 0.000 1.304 436 M CA 0.057 55.330 55.300 -0.044 0.000 0.854 436 M CB 0.581 33.135 32.600 -0.076 0.000 1.415 436 M HN 0.184 nan 8.290 nan 0.000 0.505 437 G N 1.197 110.005 108.800 0.014 0.000 2.505 437 G HA2 -0.244 3.716 3.960 0.001 0.000 0.220 437 G HA3 -0.244 3.716 3.960 0.001 0.000 0.220 437 G C 1.121 176.078 174.900 0.095 0.000 1.145 437 G CA 1.388 46.559 45.100 0.117 0.000 0.761 437 G HN 0.473 nan 8.290 nan 0.000 0.571 438 E N 0.280 120.516 120.200 0.059 0.000 2.265 438 E HA 0.018 4.369 4.350 0.001 0.000 0.196 438 E C 2.367 178.987 176.600 0.033 0.000 0.996 438 E CA 0.332 56.763 56.400 0.052 0.000 0.832 438 E CB -0.199 29.525 29.700 0.041 0.000 0.756 438 E HN 0.454 nan 8.360 nan 0.000 0.491 439 L N -0.027 121.201 121.223 0.008 0.000 2.552 439 L HA 0.079 4.420 4.340 0.001 0.000 0.227 439 L C 2.031 178.925 176.870 0.039 0.000 1.146 439 L CA 0.460 55.305 54.840 0.008 0.000 0.858 439 L CB -0.384 41.661 42.059 -0.024 0.000 0.969 439 L HN 0.142 nan 8.230 nan 0.000 0.451 440 A N 0.062 122.882 122.820 -0.001 0.000 2.167 440 A HA -0.153 4.168 4.320 0.001 0.000 0.214 440 A C 2.117 179.657 177.584 -0.075 0.000 1.151 440 A CA 0.943 52.950 52.037 -0.050 0.000 0.735 440 A CB -0.190 18.782 19.000 -0.046 0.000 0.802 440 A HN 0.340 nan 8.150 nan 0.000 0.467 441 E N 1.265 121.458 120.200 -0.011 0.000 2.070 441 E HA -0.158 4.192 4.350 0.001 0.000 0.197 441 E C -0.602 175.966 176.600 -0.053 0.000 1.004 441 E CA 2.270 58.662 56.400 -0.013 0.000 0.805 441 E CB -0.874 28.834 29.700 0.013 0.000 0.744 441 E HN 0.474 nan 8.360 nan 0.000 0.451 442 P HA -0.147 nan 4.420 nan 0.000 0.220 442 P C 1.603 178.807 177.300 -0.159 0.000 1.148 442 P CA 0.906 63.961 63.100 -0.076 0.000 0.803 442 P CB -0.040 31.632 31.700 -0.047 0.000 0.782 443 L N -0.032 120.987 121.223 -0.338 0.000 2.005 443 L HA -0.098 4.242 4.340 0.001 0.000 0.207 443 L C 2.541 179.289 176.870 -0.203 0.000 1.072 443 L CA 1.611 56.171 54.840 -0.467 0.000 0.744 443 L CB -1.327 40.115 42.059 -1.028 0.000 0.895 443 L HN -0.211 nan 8.230 nan 0.000 0.433 444 I N -0.373 120.107 120.570 -0.149 0.000 2.151 444 I HA -0.341 3.829 4.170 0.001 0.000 0.243 444 I C 2.391 178.473 176.117 -0.058 0.000 1.080 444 I CA 1.812 63.074 61.300 -0.063 0.000 1.339 444 I CB -0.650 37.339 38.000 -0.017 0.000 1.039 444 I HN 0.366 nan 8.210 nan 0.000 0.409 445 E N -0.038 120.131 120.200 -0.052 0.000 2.110 445 E HA -0.269 4.081 4.350 0.001 0.000 0.193 445 E C 2.122 178.687 176.600 -0.058 0.000 0.988 445 E CA 1.452 57.822 56.400 -0.049 0.000 0.804 445 E CB -0.287 29.397 29.700 -0.026 0.000 0.745 445 E HN 0.506 nan 8.360 nan 0.000 0.458 446 Y N 1.403 121.588 120.300 -0.191 0.000 2.145 446 Y HA -0.260 4.291 4.550 0.001 0.000 0.286 446 Y C 2.193 177.971 175.900 -0.203 0.000 1.145 446 Y CA 1.282 59.237 58.100 -0.241 0.000 1.148 446 Y CB -0.283 37.957 38.460 -0.366 0.000 0.981 446 Y HN -0.188 nan 8.280 nan 0.000 0.507 447 V N 0.455 120.300 119.914 -0.116 0.000 2.358 447 V HA -0.288 3.833 4.120 0.001 0.000 0.246 447 V C 2.128 178.071 176.094 -0.252 0.000 1.047 447 V CA 2.226 64.431 62.300 -0.158 0.000 1.035 447 V CB -0.698 31.105 31.823 -0.035 0.000 0.658 447 V HN 0.397 nan 8.190 nan 0.000 0.452 448 E N 0.533 120.607 120.200 -0.210 0.000 2.130 448 E HA -0.201 4.149 4.350 0.001 0.000 0.196 448 E C 2.283 178.708 176.600 -0.292 0.000 0.998 448 E CA 1.314 57.565 56.400 -0.248 0.000 0.806 448 E CB -0.481 29.122 29.700 -0.162 0.000 0.738 448 E HN 0.664 nan 8.360 nan 0.000 0.459 449 G N 0.729 109.362 108.800 -0.279 0.000 2.471 449 G HA2 -0.184 3.776 3.960 0.001 0.000 0.219 449 G HA3 -0.184 3.776 3.960 0.001 0.000 0.219 449 G C 1.430 176.141 174.900 -0.315 0.000 1.125 449 G CA 0.220 45.158 45.100 -0.269 0.000 0.775 449 G HN 0.117 nan 8.290 nan 0.000 0.548 450 L N 0.432 121.415 121.223 -0.400 0.000 2.492 450 L HA 0.045 4.385 4.340 0.001 0.000 0.223 450 L C 2.655 179.331 176.870 -0.324 0.000 1.132 450 L CA -0.250 54.394 54.840 -0.328 0.000 0.850 450 L CB -0.090 41.804 42.059 -0.276 0.000 0.966 450 L HN 0.047 nan 8.230 nan 0.000 0.454 451 V N 0.283 119.906 119.914 -0.485 0.000 2.237 451 V HA -0.297 3.823 4.120 0.001 0.000 0.245 451 V C 2.479 178.341 176.094 -0.387 0.000 1.046 451 V CA 1.826 63.764 62.300 -0.604 0.000 1.007 451 V CB -0.476 30.924 31.823 -0.706 0.000 0.638 451 V HN 0.435 nan 8.190 nan 0.000 0.445 452 K N 0.385 120.536 120.400 -0.415 0.000 1.991 452 K HA -0.147 4.174 4.320 0.001 0.000 0.212 452 K C 0.064 176.222 176.600 -0.736 0.000 1.049 452 K CA 2.014 57.966 56.287 -0.558 0.000 0.932 452 K CB -1.593 30.521 32.500 -0.644 0.000 0.717 452 K HN 0.467 nan 8.250 nan 0.000 0.441 453 P HA -0.128 nan 4.420 nan 0.000 0.218 453 P C 1.390 178.568 177.300 -0.203 0.000 1.149 453 P CA 1.700 64.543 63.100 -0.428 0.000 0.817 453 P CB -0.174 31.499 31.700 -0.045 0.000 0.785 454 G N 0.299 108.991 108.800 -0.181 0.000 2.443 454 G HA2 -0.191 3.769 3.960 0.001 0.000 0.219 454 G HA3 -0.191 3.769 3.960 0.001 0.000 0.219 454 G C 1.783 176.596 174.900 -0.144 0.000 1.131 454 G CA 0.148 45.181 45.100 -0.112 0.000 0.775 454 G HN 0.220 nan 8.290 nan 0.000 0.547 455 R N -0.190 120.214 120.500 -0.161 0.000 2.127 455 R HA -0.043 4.297 4.340 0.001 0.000 0.238 455 R C 2.598 178.820 176.300 -0.130 0.000 1.134 455 R CA 1.098 57.102 56.100 -0.160 0.000 0.975 455 R CB -0.393 29.818 30.300 -0.148 0.000 0.865 455 R HN 0.313 nan 8.270 nan 0.000 0.447 456 V N 0.324 120.171 119.914 -0.111 0.000 2.261 456 V HA -0.255 3.866 4.120 0.001 0.000 0.246 456 V C 2.125 178.205 176.094 -0.023 0.000 1.047 456 V CA 2.298 64.566 62.300 -0.052 0.000 1.015 456 V CB -0.678 31.138 31.823 -0.012 0.000 0.642 456 V HN 0.388 nan 8.190 nan 0.000 0.446 457 T N 0.586 115.139 114.554 -0.001 0.000 2.720 457 T HA -0.185 4.165 4.350 0.001 0.000 0.268 457 T C 2.074 176.852 174.700 0.130 0.000 1.037 457 T CA 1.675 63.851 62.100 0.127 0.000 1.144 457 T CB -0.497 68.421 68.868 0.084 0.000 0.864 457 T HN 0.574 nan 8.240 nan 0.000 0.444 458 A N 1.583 124.362 122.820 -0.069 0.000 1.940 458 A HA -0.144 4.177 4.320 0.001 0.000 0.219 458 A C 2.238 179.813 177.584 -0.016 0.000 1.176 458 A CA 1.963 53.916 52.037 -0.141 0.000 0.631 458 A CB -0.528 18.172 19.000 -0.500 0.000 0.814 458 A HN 0.499 nan 8.150 nan 0.000 0.446 459 K N -0.322 120.046 120.400 -0.054 0.000 2.001 459 K HA -0.074 4.246 4.320 0.001 0.000 0.208 459 K C 1.865 178.444 176.600 -0.036 0.000 1.048 459 K CA 1.639 57.896 56.287 -0.050 0.000 0.932 459 K CB -0.321 32.146 32.500 -0.056 0.000 0.715 459 K HN 0.204 nan 8.250 nan 0.000 0.437 460 V N 0.576 120.451 119.914 -0.065 0.000 2.295 460 V HA -0.238 3.883 4.120 0.001 0.000 0.246 460 V C 1.898 177.816 176.094 -0.293 0.000 1.049 460 V CA 1.759 63.924 62.300 -0.225 0.000 1.024 460 V CB -0.535 31.077 31.823 -0.352 0.000 0.648 460 V HN 0.338 nan 8.190 nan 0.000 0.447 461 Y N -0.841 119.518 120.300 0.099 0.000 2.509 461 Y HA 0.448 4.999 4.550 0.001 0.000 0.270 461 Y C 1.961 177.988 175.900 0.212 0.000 1.103 461 Y CA 0.768 58.982 58.100 0.190 0.000 1.278 461 Y CB 0.089 38.749 38.460 0.334 0.000 1.087 461 Y HN 0.196 nan 8.280 nan 0.000 0.542 462 A N -1.150 121.844 122.820 0.290 0.000 2.551 462 A HA 0.522 4.842 4.320 0.001 0.000 0.252 462 A C 1.645 179.317 177.584 0.146 0.000 1.199 462 A CA 0.390 52.573 52.037 0.242 0.000 0.972 462 A CB -0.423 18.767 19.000 0.316 0.000 1.153 462 A HN 0.401 nan 8.150 nan 0.000 0.559 463 G N -0.580 108.264 108.800 0.074 0.000 2.179 463 G HA2 0.062 4.023 3.960 0.001 0.000 0.257 463 G HA3 0.062 4.023 3.960 0.001 0.000 0.257 463 G C 0.411 175.274 174.900 -0.061 0.000 1.010 463 G CA 0.397 45.523 45.100 0.042 0.000 0.736 463 G HN 1.753 nan 8.290 nan 0.000 0.513 464 A N 0.210 122.841 122.820 -0.316 0.000 2.506 464 A HA 0.648 4.968 4.320 0.001 0.000 0.320 464 A C 0.316 177.755 177.584 -0.242 0.000 1.424 464 A CA 0.070 51.685 52.037 -0.703 0.000 1.044 464 A CB 0.347 18.806 19.000 -0.902 0.000 1.140 464 A HN 0.516 nan 8.150 nan 0.000 0.538 465 E N 2.425 122.570 120.200 -0.091 0.000 2.146 465 E HA 0.320 4.670 4.350 0.001 0.000 0.282 465 E C -0.650 175.948 176.600 -0.003 0.000 0.989 465 E CA -0.266 56.114 56.400 -0.032 0.000 0.799 465 E CB 0.766 30.468 29.700 0.003 0.000 1.088 465 E HN 0.510 nan 8.360 nan 0.000 0.397 466 T N 3.598 118.138 114.554 -0.023 0.000 2.817 466 T HA 0.069 4.419 4.350 0.001 0.000 0.293 466 T C 1.212 175.909 174.700 -0.005 0.000 0.964 466 T CA -0.405 61.689 62.100 -0.010 0.000 1.085 466 T CB 1.453 70.301 68.868 -0.033 0.000 0.921 466 T HN 0.477 nan 8.240 nan 0.000 0.502 467 T N 2.493 117.050 114.554 0.006 0.000 2.652 467 T HA -0.108 4.242 4.350 0.001 0.000 0.267 467 T C 1.104 175.805 174.700 0.002 0.000 1.039 467 T CA 1.212 63.317 62.100 0.008 0.000 1.153 467 T CB -0.091 68.784 68.868 0.013 0.000 0.863 467 T HN 0.482 nan 8.240 nan 0.000 0.428 468 N N 1.021 119.719 118.700 -0.004 0.000 2.626 468 N HA 0.217 4.958 4.740 0.001 0.000 0.249 468 N C -2.337 173.165 175.510 -0.014 0.000 1.021 468 N CA -2.281 50.768 53.050 -0.003 0.000 0.886 468 N CB 1.861 40.347 38.487 -0.001 0.000 1.149 468 N HN 0.002 nan 8.380 nan 0.000 0.517 469 P HA -0.058 nan 4.420 nan 0.000 0.225 469 P C 0.351 177.614 177.300 -0.061 0.000 1.148 469 P CA 1.127 64.195 63.100 -0.052 0.000 0.779 469 P CB 0.616 32.278 31.700 -0.064 0.000 0.780 470 E N -0.729 119.466 120.200 -0.008 0.000 2.318 470 E HA -0.006 4.344 4.350 0.001 0.000 0.193 470 E C 1.230 177.822 176.600 -0.013 0.000 0.998 470 E CA 1.328 57.737 56.400 0.015 0.000 0.859 470 E CB -0.055 29.695 29.700 0.084 0.000 0.812 470 E HN 0.363 nan 8.360 nan 0.000 0.492 471 T N -2.369 112.174 114.554 -0.019 0.000 3.043 471 T HA 0.104 4.455 4.350 0.001 0.000 0.272 471 T C 0.612 175.294 174.700 -0.030 0.000 0.990 471 T CA -0.374 61.713 62.100 -0.023 0.000 0.897 471 T CB 0.437 69.297 68.868 -0.013 0.000 1.111 471 T HN -0.233 nan 8.240 nan 0.000 0.529 472 T N 5.076 119.607 114.554 -0.038 0.000 2.761 472 T HA 0.412 4.763 4.350 0.001 0.000 0.296 472 T C -2.454 172.213 174.700 -0.055 0.000 0.934 472 T CA -0.752 61.324 62.100 -0.040 0.000 1.091 472 T CB 0.865 69.709 68.868 -0.040 0.000 0.896 472 T HN 0.179 nan 8.240 nan 0.000 0.515 473 P HA 0.087 nan 4.420 nan 0.000 0.267 473 P C 0.114 177.372 177.300 -0.072 0.000 1.201 473 P CA -0.281 62.786 63.100 -0.054 0.000 0.775 473 P CB 0.305 31.984 31.700 -0.034 0.000 0.854 474 I N 1.377 121.890 120.570 -0.096 0.000 2.752 474 I HA 0.065 4.236 4.170 0.001 0.000 0.289 474 I C 1.697 177.771 176.117 -0.072 0.000 1.197 474 I CA 1.358 62.586 61.300 -0.120 0.000 1.432 474 I CB -0.578 37.324 38.000 -0.162 0.000 1.359 474 I HN 0.762 nan 8.210 nan 0.000 0.571 475 G N 4.601 113.370 108.800 -0.052 0.000 2.254 475 G HA2 -0.230 3.731 3.960 0.001 0.000 0.225 475 G HA3 -0.230 3.731 3.960 0.001 0.000 0.225 475 G C 0.654 175.528 174.900 -0.042 0.000 1.003 475 G CA -0.069 45.002 45.100 -0.048 0.000 0.622 475 G HN 0.584 nan 8.290 nan 0.000 0.507 476 E N 0.632 120.805 120.200 -0.044 0.000 2.498 476 E HA 0.424 4.774 4.350 0.001 0.000 0.203 476 E C 1.538 178.099 176.600 -0.066 0.000 1.013 476 E CA 0.639 57.007 56.400 -0.053 0.000 0.927 476 E CB 0.557 30.237 29.700 -0.034 0.000 1.012 476 E HN 0.668 nan 8.360 nan 0.000 0.482 477 G N 0.059 108.828 108.800 -0.052 0.000 2.543 477 G HA2 0.095 4.056 3.960 0.001 0.000 0.290 477 G HA3 0.095 4.056 3.960 0.001 0.000 0.290 477 G C 0.493 175.375 174.900 -0.031 0.000 1.310 477 G CA -0.360 44.718 45.100 -0.036 0.000 1.025 477 G HN -0.066 nan 8.290 nan 0.000 0.502 478 E N -0.524 119.697 120.200 0.035 0.000 2.478 478 E HA 0.238 4.588 4.350 0.001 0.000 0.194 478 E C 1.052 177.822 176.600 0.284 0.000 1.045 478 E CA 0.843 57.360 56.400 0.196 0.000 0.868 478 E CB 0.577 30.383 29.700 0.176 0.000 0.885 478 E HN 0.842 nan 8.360 nan 0.000 0.505 479 G N 0.781 109.630 108.800 0.081 0.000 2.316 479 G HA2 0.098 4.059 3.960 0.001 0.000 0.468 479 G HA3 0.098 4.059 3.960 0.001 0.000 0.468 479 G C -1.571 173.086 174.900 -0.404 0.000 1.523 479 G CA -0.747 44.277 45.100 -0.126 0.000 0.972 479 G HN 0.109 nan 8.290 nan 0.000 0.667 480 Y N -1.135 118.786 120.300 -0.631 0.000 2.442 480 Y HA 0.862 5.413 4.550 0.001 0.000 0.344 480 Y C -0.142 175.351 175.900 -0.679 0.000 0.976 480 Y CA -1.683 56.081 58.100 -0.560 0.000 1.040 480 Y CB 2.096 40.359 38.460 -0.328 0.000 1.228 480 Y HN 0.734 nan 8.280 nan 0.000 0.451 481 M N 3.979 123.253 119.600 -0.544 0.000 2.321 481 M HA 0.895 5.375 4.480 0.001 0.000 0.315 481 M C -1.651 174.476 176.300 -0.288 0.000 1.052 481 M CA -0.576 54.436 55.300 -0.480 0.000 0.936 481 M CB 1.852 34.226 32.600 -0.377 0.000 1.639 481 M HN 1.058 nan 8.290 nan 0.000 0.433 482 A N 2.780 125.389 122.820 -0.351 0.000 2.566 482 A HA 0.820 5.140 4.320 0.001 0.000 0.292 482 A C -1.825 175.473 177.584 -0.478 0.000 1.112 482 A CA -0.575 51.313 52.037 -0.247 0.000 0.707 482 A CB 1.381 20.339 19.000 -0.070 0.000 1.302 482 A HN 1.007 nan 8.150 nan 0.000 0.409 483 H N -1.070 117.956 119.070 -0.074 0.000 4.003 483 H HA 0.546 5.102 4.556 0.001 0.000 0.368 483 H C 1.314 176.662 175.328 0.034 0.000 1.587 483 H CA 0.502 56.506 56.048 -0.074 0.000 1.281 483 H CB 0.152 29.817 29.762 -0.162 0.000 1.104 483 H HN 0.527 nan 8.280 nan 0.000 0.776 484 T N 0.288 114.975 114.554 0.222 0.000 2.639 484 T HA -0.054 4.296 4.350 0.001 0.000 0.261 484 T C 0.028 174.740 174.700 0.020 0.000 1.053 484 T CA 1.208 63.388 62.100 0.133 0.000 1.158 484 T CB -0.207 68.784 68.868 0.205 0.000 0.863 484 T HN 0.342 nan 8.240 nan 0.000 0.413 485 E N 2.213 122.493 120.200 0.132 0.000 2.194 485 E HA 0.300 4.650 4.350 0.001 0.000 0.284 485 E C -0.413 176.408 176.600 0.367 0.000 1.035 485 E CA -0.200 56.275 56.400 0.124 0.000 0.836 485 E CB 0.601 30.497 29.700 0.327 0.000 1.070 485 E HN 0.295 nan 8.360 nan 0.000 0.401 486 N N 1.197 120.098 118.700 0.335 0.000 2.509 486 N HA 0.406 5.146 4.740 0.001 0.000 0.280 486 N C -0.522 175.257 175.510 0.448 0.000 1.306 486 N CA -0.319 52.997 53.050 0.443 0.000 0.782 486 N CB 2.318 41.054 38.487 0.415 0.000 1.493 486 N HN 0.515 nan 8.380 nan 0.000 0.498 487 T N -3.761 111.008 114.554 0.357 0.000 2.654 487 T HA 0.550 4.900 4.350 0.001 0.000 0.289 487 T C 0.574 175.044 174.700 -0.384 0.000 1.062 487 T CA -0.445 61.601 62.100 -0.089 0.000 1.041 487 T CB 0.844 69.671 68.868 -0.068 0.000 1.417 487 T HN 0.332 nan 8.240 nan 0.000 0.510 488 A N -0.684 121.361 122.820 -1.293 0.000 2.206 488 A HA 0.274 4.594 4.320 0.001 0.000 0.211 488 A C 0.404 177.488 177.584 -0.833 0.000 1.158 488 A CA 0.513 51.849 52.037 -1.169 0.000 0.761 488 A CB -0.871 16.949 19.000 -1.967 0.000 0.801 488 A HN 0.731 nan 8.150 nan 0.000 0.473 489 Y N -0.999 119.056 120.300 -0.407 0.000 2.698 489 Y HA 0.430 4.981 4.550 0.001 0.000 0.261 489 Y C 1.306 177.047 175.900 -0.265 0.000 1.104 489 Y CA -0.809 56.808 58.100 -0.804 0.000 1.145 489 Y CB -0.060 38.062 38.460 -0.563 0.000 1.191 489 Y HN 0.302 nan 8.280 nan 0.000 0.564 490 G N 0.176 109.029 108.800 0.087 0.000 2.272 490 G HA2 -0.313 3.648 3.960 0.001 0.000 0.280 490 G HA3 -0.313 3.648 3.960 0.001 0.000 0.280 490 G C 0.120 175.237 174.900 0.362 0.000 1.067 490 G CA -0.050 45.212 45.100 0.269 0.000 0.902 490 G HN 0.644 nan 8.290 nan 0.000 0.500 491 W N 2.118 123.525 121.300 0.178 0.000 1.564 491 W HA 0.330 4.991 4.660 0.001 0.000 0.480 491 W C 1.184 177.788 176.519 0.142 0.000 0.699 491 W CA 0.389 57.852 57.345 0.196 0.000 1.985 491 W CB -0.275 29.330 29.460 0.243 0.000 1.738 491 W HN 0.400 nan 8.180 nan 0.000 0.218 492 T N 0.162 114.738 114.554 0.035 0.000 3.060 492 T HA 0.260 4.611 4.350 0.001 0.000 0.249 492 T C 1.054 175.737 174.700 -0.028 0.000 1.079 492 T CA 0.017 62.125 62.100 0.013 0.000 1.013 492 T CB 0.200 69.064 68.868 -0.007 0.000 0.975 492 T HN 0.241 nan 8.240 nan 0.000 0.518 493 A N 3.433 126.110 122.820 -0.238 0.000 2.466 493 A HA 0.505 4.826 4.320 0.001 0.000 0.238 493 A C -2.059 175.328 177.584 -0.328 0.000 1.074 493 A CA -1.258 50.606 52.037 -0.289 0.000 0.774 493 A CB -0.172 18.562 19.000 -0.445 0.000 1.015 493 A HN 0.312 nan 8.150 nan 0.000 0.498 494 P HA 0.233 nan 4.420 nan 0.000 0.272 494 P C 0.494 177.595 177.300 -0.333 0.000 1.230 494 P CA 0.233 62.876 63.100 -0.763 0.000 0.788 494 P CB 0.466 31.644 31.700 -0.869 0.000 0.949 495 G N 1.036 109.703 108.800 -0.221 0.000 2.653 495 G HA2 0.067 4.028 3.960 0.001 0.000 0.265 495 G HA3 0.067 4.028 3.960 0.001 0.000 0.265 495 G C 0.941 175.687 174.900 -0.256 0.000 1.237 495 G CA -0.347 44.683 45.100 -0.117 0.000 0.946 495 G HN 0.630 nan 8.290 nan 0.000 0.522 496 Q N -1.395 118.341 119.800 -0.106 0.000 2.311 496 Q HA 0.050 4.390 4.340 0.001 0.000 0.203 496 Q C 1.008 176.904 176.000 -0.173 0.000 0.954 496 Q CA 1.029 56.811 55.803 -0.035 0.000 0.885 496 Q CB 0.080 28.909 28.738 0.151 0.000 0.963 496 Q HN 0.280 nan 8.270 nan 0.000 0.471 497 S N -0.794 114.603 115.700 -0.504 0.000 2.473 497 S HA 0.293 4.764 4.470 0.001 0.000 0.307 497 S C -0.121 174.022 174.600 -0.761 0.000 1.094 497 S CA -0.887 57.014 58.200 -0.498 0.000 1.070 497 S CB 0.870 63.913 63.200 -0.262 0.000 1.019 497 S HN 0.366 nan 8.310 nan 0.000 0.480 498 F N 4.367 123.998 119.950 -0.532 0.000 2.216 498 F HA -0.016 4.512 4.527 0.001 0.000 0.300 498 F C 2.061 177.462 175.800 -0.664 0.000 1.085 498 F CA 1.712 59.426 58.000 -0.477 0.000 1.326 498 F CB -0.103 38.687 39.000 -0.351 0.000 1.027 498 F HN 0.662 nan 8.300 nan 0.000 0.497 499 S N 0.596 115.908 115.700 -0.648 0.000 2.930 499 S HA 0.031 4.501 4.470 0.001 0.000 0.257 499 S C 0.480 174.837 174.600 -0.405 0.000 1.208 499 S CA 0.175 57.784 58.200 -0.985 0.000 1.233 499 S CB -1.472 61.545 63.200 -0.306 0.000 0.900 499 S HN 0.777 nan 8.310 nan 0.000 0.472 500 W N -2.694 118.429 121.300 -0.296 0.000 0.859 500 W HA 0.100 4.761 4.660 0.001 0.000 0.137 500 W C 0.928 177.468 176.519 0.036 0.000 0.598 500 W CA -0.135 57.256 57.345 0.077 0.000 0.411 500 W CB -0.944 28.619 29.460 0.172 0.000 0.595 500 W HN 0.261 nan 8.180 nan 0.000 0.397 501 G N 1.566 109.952 108.800 -0.690 0.000 2.448 501 G HA2 -0.150 3.810 3.960 0.001 0.000 0.218 501 G HA3 -0.150 3.810 3.960 0.001 0.000 0.218 501 G C 0.287 175.049 174.900 -0.231 0.000 1.135 501 G CA 1.022 45.784 45.100 -0.563 0.000 0.784 501 G HN 0.249 nan 8.290 nan 0.000 0.543 502 W N 1.052 122.028 121.300 -0.540 0.000 2.314 502 W HA 0.648 5.309 4.660 0.001 0.000 0.310 502 W C -0.878 175.628 176.519 -0.022 0.000 1.075 502 W CA -0.843 56.248 57.345 -0.424 0.000 1.253 502 W CB 1.506 30.413 29.460 -0.921 0.000 1.238 502 W HN -0.052 nan 8.180 nan 0.000 0.440 503 S N 8.315 124.013 115.700 -0.004 0.000 2.787 503 S HA 0.145 4.616 4.470 0.001 0.000 0.140 503 S C -1.393 173.135 174.600 -0.120 0.000 1.240 503 S CA -0.630 57.616 58.200 0.077 0.000 1.163 503 S CB 0.551 63.899 63.200 0.247 0.000 1.652 503 S HN 0.441 nan 8.310 nan 0.000 0.443 504 P HA 0.014 nan 4.420 nan 0.000 0.222 504 P C 1.155 178.421 177.300 -0.056 0.000 1.147 504 P CA 0.739 63.547 63.100 -0.486 0.000 0.790 504 P CB 0.027 31.462 31.700 -0.443 0.000 0.780 505 A N 0.167 123.006 122.820 0.031 0.000 2.239 505 A HA 0.159 4.479 4.320 0.001 0.000 0.209 505 A C 2.334 179.925 177.584 0.012 0.000 1.171 505 A CA 1.078 53.066 52.037 -0.080 0.000 0.768 505 A CB -1.146 17.629 19.000 -0.376 0.000 0.790 505 A HN 0.213 nan 8.150 nan 0.000 0.478 506 A N -0.259 122.636 122.820 0.125 0.000 1.917 506 A HA -0.081 4.240 4.320 0.001 0.000 0.219 506 A C 2.180 179.844 177.584 0.134 0.000 1.182 506 A CA 1.994 54.154 52.037 0.205 0.000 0.633 506 A CB -0.814 18.260 19.000 0.124 0.000 0.819 506 A HN 0.386 nan 8.150 nan 0.000 0.448 507 V N 0.276 120.216 119.914 0.042 0.000 2.244 507 V HA -0.154 3.966 4.120 0.001 0.000 0.244 507 V C 0.023 176.142 176.094 0.042 0.000 1.042 507 V CA 2.384 64.703 62.300 0.032 0.000 1.006 507 V CB -1.700 30.093 31.823 -0.049 0.000 0.641 507 V HN 0.328 nan 8.190 nan 0.000 0.446 508 P HA -0.235 nan 4.420 nan 0.000 0.217 508 P C 1.431 178.778 177.300 0.077 0.000 1.158 508 P CA 1.977 65.029 63.100 -0.080 0.000 0.887 508 P CB -0.191 31.344 31.700 -0.275 0.000 0.792 509 W N 0.157 121.406 121.300 -0.084 0.000 2.333 509 W HA -0.148 4.513 4.660 0.001 0.000 0.316 509 W C 2.111 178.669 176.519 0.065 0.000 1.215 509 W CA 0.795 58.139 57.345 -0.001 0.000 1.278 509 W CB -1.392 28.093 29.460 0.041 0.000 1.154 509 W HN -0.152 nan 8.180 nan 0.000 0.486 510 I N 0.626 121.328 120.570 0.220 0.000 2.454 510 I HA -0.269 3.902 4.170 0.001 0.000 0.254 510 I C 2.379 178.578 176.117 0.136 0.000 1.156 510 I CA 1.393 62.746 61.300 0.089 0.000 1.433 510 I CB -0.692 37.328 38.000 0.033 0.000 1.082 510 I HN -0.093 nan 8.210 nan 0.000 0.432 511 L N -0.553 120.757 121.223 0.145 0.000 2.265 511 L HA -0.230 4.110 4.340 0.001 0.000 0.215 511 L C 2.427 179.410 176.870 0.187 0.000 1.117 511 L CA 0.978 55.900 54.840 0.135 0.000 0.782 511 L CB -0.625 41.479 42.059 0.075 0.000 0.914 511 L HN 0.358 nan 8.230 nan 0.000 0.441 512 Q N -0.118 119.820 119.800 0.231 0.000 2.050 512 Q HA -0.198 4.143 4.340 0.001 0.000 0.202 512 Q C 1.983 178.176 176.000 0.322 0.000 0.980 512 Q CA 1.469 57.443 55.803 0.285 0.000 0.840 512 Q CB -0.167 28.766 28.738 0.325 0.000 0.898 512 Q HN 0.597 nan 8.270 nan 0.000 0.424 513 N N 0.060 118.951 118.700 0.319 0.000 2.149 513 N HA -0.141 4.600 4.740 0.001 0.000 0.188 513 N C 1.913 177.612 175.510 0.315 0.000 1.019 513 N CA 1.276 54.537 53.050 0.352 0.000 0.857 513 N CB -0.045 38.586 38.487 0.240 0.000 0.997 513 N HN 0.067 nan 8.380 nan 0.000 0.426 514 V N 0.699 120.742 119.914 0.216 0.000 2.358 514 V HA -0.216 3.905 4.120 0.001 0.000 0.246 514 V C 2.063 178.270 176.094 0.188 0.000 1.047 514 V CA 1.309 63.712 62.300 0.171 0.000 1.035 514 V CB -0.687 31.209 31.823 0.122 0.000 0.658 514 V HN 0.274 nan 8.190 nan 0.000 0.452 515 Y N 1.291 121.649 120.300 0.097 0.000 2.293 515 Y HA -0.166 4.385 4.550 0.001 0.000 0.291 515 Y C 2.417 178.363 175.900 0.075 0.000 1.137 515 Y CA 1.641 59.800 58.100 0.098 0.000 1.202 515 Y CB -0.202 38.308 38.460 0.084 0.000 0.990 515 Y HN 0.384 nan 8.280 nan 0.000 0.537 516 E N -0.155 120.019 120.200 -0.043 0.000 2.204 516 E HA -0.205 4.145 4.350 0.001 0.000 0.195 516 E C 2.318 178.516 176.600 -0.670 0.000 0.990 516 E CA 0.726 56.975 56.400 -0.251 0.000 0.821 516 E CB -0.229 29.484 29.700 0.022 0.000 0.750 516 E HN 0.588 nan 8.360 nan 0.000 0.477 517 A N 0.849 123.285 122.820 -0.639 0.000 1.908 517 A HA -0.237 4.083 4.320 0.001 0.000 0.218 517 A C 2.022 179.465 177.584 -0.235 0.000 1.181 517 A CA 1.533 53.282 52.037 -0.480 0.000 0.627 517 A CB -0.682 18.321 19.000 0.005 0.000 0.818 517 A HN 0.449 nan 8.150 nan 0.000 0.445 518 Y N 0.375 120.492 120.300 -0.305 0.000 2.220 518 Y HA -0.064 4.487 4.550 0.001 0.000 0.291 518 Y C 2.189 177.884 175.900 -0.342 0.000 1.129 518 Y CA 1.820 59.752 58.100 -0.279 0.000 1.161 518 Y CB -0.286 38.019 38.460 -0.258 0.000 0.997 518 Y HN 0.436 nan 8.280 nan 0.000 0.522 519 E N -0.899 118.872 120.200 -0.714 0.000 2.118 519 E HA -0.254 4.097 4.350 0.001 0.000 0.195 519 E C 1.568 177.850 176.600 -0.531 0.000 0.992 519 E CA 1.620 57.611 56.400 -0.680 0.000 0.804 519 E CB -0.292 29.092 29.700 -0.526 0.000 0.741 519 E HN 0.606 nan 8.360 nan 0.000 0.458 520 Y N -0.583 119.446 120.300 -0.453 0.000 2.517 520 Y HA -0.058 4.492 4.550 0.001 0.000 0.281 520 Y C 2.529 178.286 175.900 -0.238 0.000 1.125 520 Y CA 1.003 58.936 58.100 -0.279 0.000 1.283 520 Y CB 0.500 38.823 38.460 -0.228 0.000 1.042 520 Y HN 0.069 nan 8.280 nan 0.000 0.547 521 S N -2.329 113.273 115.700 -0.164 0.000 2.545 521 S HA 0.259 4.729 4.470 0.001 0.000 0.232 521 S C 1.868 176.344 174.600 -0.207 0.000 1.070 521 S CA 0.418 58.542 58.200 -0.126 0.000 0.923 521 S CB 0.022 63.189 63.200 -0.054 0.000 0.806 521 S HN 0.403 nan 8.310 nan 0.000 0.506 522 G N 2.183 110.739 108.800 -0.407 0.000 2.203 522 G HA2 -0.265 3.695 3.960 0.001 0.000 0.263 522 G HA3 -0.265 3.695 3.960 0.001 0.000 0.263 522 G C -0.255 174.629 174.900 -0.027 0.000 1.012 522 G CA 0.494 45.378 45.100 -0.361 0.000 0.749 522 G HN 0.700 nan 8.290 nan 0.000 0.512 523 D N 0.494 120.920 120.400 0.043 0.000 2.371 523 D HA 0.212 4.853 4.640 0.001 0.000 0.256 523 D C -0.192 176.223 176.300 0.193 0.000 1.193 523 D CA -1.209 52.855 54.000 0.107 0.000 0.881 523 D CB 1.281 42.128 40.800 0.078 0.000 1.143 523 D HN 0.156 nan 8.370 nan 0.000 0.473 524 P HA -0.122 nan 4.420 nan 0.000 0.218 524 P C 1.019 178.350 177.300 0.052 0.000 1.149 524 P CA 0.854 64.004 63.100 0.083 0.000 0.817 524 P CB 0.148 31.878 31.700 0.049 0.000 0.785 525 A N -0.071 122.782 122.820 0.055 0.000 1.930 525 A HA -0.116 4.204 4.320 0.001 0.000 0.217 525 A C 2.373 179.987 177.584 0.050 0.000 1.175 525 A CA 1.220 53.283 52.037 0.043 0.000 0.627 525 A CB -1.551 17.472 19.000 0.039 0.000 0.815 525 A HN 0.123 nan 8.150 nan 0.000 0.443 526 L N -1.084 120.187 121.223 0.080 0.000 2.093 526 L HA -0.141 4.199 4.340 0.001 0.000 0.208 526 L C 2.523 179.427 176.870 0.057 0.000 1.085 526 L CA 0.941 55.837 54.840 0.094 0.000 0.755 526 L CB -0.476 41.667 42.059 0.141 0.000 0.904 526 L HN 0.460 nan 8.230 nan 0.000 0.435 527 L N 0.156 121.373 121.223 -0.010 0.000 2.012 527 L HA -0.270 4.071 4.340 0.001 0.000 0.210 527 L C 2.055 178.881 176.870 -0.073 0.000 1.073 527 L CA 1.973 56.645 54.840 -0.281 0.000 0.748 527 L CB -0.722 41.072 42.059 -0.443 0.000 0.891 527 L HN 0.226 nan 8.230 nan 0.000 0.431 528 D N -0.602 119.795 120.400 -0.005 0.000 2.117 528 D HA -0.174 4.466 4.640 0.001 0.000 0.197 528 D C 2.344 178.699 176.300 0.092 0.000 0.987 528 D CA 1.346 55.383 54.000 0.062 0.000 0.829 528 D CB -0.117 40.709 40.800 0.042 0.000 0.961 528 D HN 0.384 nan 8.370 nan 0.000 0.460 529 R N 0.351 120.884 120.500 0.056 0.000 2.075 529 R HA -0.081 4.259 4.340 0.001 0.000 0.232 529 R C 2.501 178.834 176.300 0.055 0.000 1.126 529 R CA 1.249 57.374 56.100 0.042 0.000 0.963 529 R CB -0.333 29.984 30.300 0.029 0.000 0.858 529 R HN 0.242 nan 8.270 nan 0.000 0.435 530 V N -1.636 118.328 119.914 0.084 0.000 2.488 530 V HA -0.176 3.945 4.120 0.001 0.000 0.246 530 V C 1.981 178.150 176.094 0.124 0.000 1.046 530 V CA 1.264 63.638 62.300 0.123 0.000 1.053 530 V CB -0.891 31.058 31.823 0.210 0.000 0.679 530 V HN 0.244 nan 8.190 nan 0.000 0.458 531 Y N 2.341 122.650 120.300 0.014 0.000 2.165 531 Y HA -0.104 4.446 4.550 0.001 0.000 0.286 531 Y C 2.583 178.516 175.900 0.055 0.000 1.155 531 Y CA 2.035 60.149 58.100 0.024 0.000 1.164 531 Y CB -0.858 37.605 38.460 0.005 0.000 0.978 531 Y HN 0.316 nan 8.280 nan 0.000 0.513 532 A N 0.200 122.977 122.820 -0.072 0.000 1.902 532 A HA -0.153 4.167 4.320 0.001 0.000 0.217 532 A C 2.332 179.846 177.584 -0.118 0.000 1.181 532 A CA 1.838 53.789 52.037 -0.143 0.000 0.623 532 A CB -1.129 17.854 19.000 -0.030 0.000 0.818 532 A HN 0.556 nan 8.150 nan 0.000 0.443 533 L N -0.824 120.370 121.223 -0.049 0.000 2.027 533 L HA -0.160 4.181 4.340 0.001 0.000 0.206 533 L C 2.565 179.471 176.870 0.060 0.000 1.074 533 L CA 1.091 55.954 54.840 0.039 0.000 0.745 533 L CB -0.472 41.615 42.059 0.048 0.000 0.898 533 L HN 0.363 nan 8.230 nan 0.000 0.433 534 L N -0.280 120.904 121.223 -0.064 0.000 2.093 534 L HA -0.222 4.118 4.340 0.001 0.000 0.208 534 L C 2.703 179.426 176.870 -0.245 0.000 1.085 534 L CA 1.225 55.961 54.840 -0.173 0.000 0.755 534 L CB -0.500 41.424 42.059 -0.225 0.000 0.904 534 L HN 0.259 nan 8.230 nan 0.000 0.435 535 K N 0.609 120.854 120.400 -0.259 0.000 2.032 535 K HA -0.276 4.045 4.320 0.001 0.000 0.209 535 K C 2.068 178.742 176.600 0.124 0.000 1.048 535 K CA 2.044 58.295 56.287 -0.060 0.000 0.927 535 K CB -0.027 32.269 32.500 -0.339 0.000 0.712 535 K HN 0.286 nan 8.250 nan 0.000 0.441 536 E N -0.006 120.248 120.200 0.091 0.000 2.107 536 E HA -0.191 4.159 4.350 0.001 0.000 0.191 536 E C 1.815 178.535 176.600 0.200 0.000 0.982 536 E CA 0.977 57.493 56.400 0.192 0.000 0.809 536 E CB 0.101 29.939 29.700 0.229 0.000 0.756 536 E HN 0.257 nan 8.360 nan 0.000 0.459 537 E N 0.084 120.320 120.200 0.059 0.000 2.152 537 E HA -0.068 4.283 4.350 0.001 0.000 0.192 537 E C 1.885 178.563 176.600 0.129 0.000 0.983 537 E CA 1.243 57.605 56.400 -0.063 0.000 0.818 537 E CB -0.104 29.471 29.700 -0.208 0.000 0.758 537 E HN 0.097 nan 8.360 nan 0.000 0.467 538 S N -0.332 115.362 115.700 -0.011 0.000 2.355 538 S HA -0.156 4.314 4.470 0.001 0.000 0.222 538 S C 1.732 176.462 174.600 0.217 0.000 1.031 538 S CA 0.958 59.082 58.200 -0.127 0.000 0.993 538 S CB -0.539 62.179 63.200 -0.803 0.000 0.859 538 S HN 0.467 nan 8.310 nan 0.000 0.453 539 H N 0.314 119.573 119.070 0.315 0.000 2.289 539 H HA -0.192 4.365 4.556 0.001 0.000 0.294 539 H C 2.107 177.685 175.328 0.416 0.000 1.095 539 H CA 2.134 58.418 56.048 0.393 0.000 1.256 539 H CB -0.511 29.459 29.762 0.347 0.000 1.359 539 H HN 0.413 nan 8.280 nan 0.000 0.487 540 F N 0.871 121.033 119.950 0.353 0.000 2.043 540 F HA -0.287 4.241 4.527 0.002 0.000 0.297 540 F C 2.264 178.190 175.800 0.210 0.000 1.121 540 F CA 1.800 59.968 58.000 0.280 0.000 1.199 540 F CB -1.229 37.793 39.000 0.037 0.000 0.968 540 F HN 0.110 nan 8.300 nan 0.000 0.478 541 Y N -0.274 119.987 120.300 -0.064 0.000 2.145 541 Y HA -0.221 4.330 4.550 0.001 0.000 0.286 541 Y C 2.599 178.487 175.900 -0.020 0.000 1.145 541 Y CA 1.998 59.994 58.100 -0.173 0.000 1.148 541 Y CB -0.957 37.435 38.460 -0.112 0.000 0.981 541 Y HN -0.083 nan 8.280 nan 0.000 0.507 542 V N 0.440 120.498 119.914 0.240 0.000 2.343 542 V HA -0.307 3.814 4.120 0.001 0.000 0.247 542 V C 1.802 178.126 176.094 0.384 0.000 1.051 542 V CA 2.205 64.724 62.300 0.365 0.000 1.036 542 V CB -0.457 31.585 31.823 0.365 0.000 0.654 542 V HN 0.510 nan 8.190 nan 0.000 0.451 543 N N -1.890 116.868 118.700 0.097 0.000 2.415 543 N HA 0.005 4.746 4.740 0.001 0.000 0.176 543 N C 1.392 176.629 175.510 -0.456 0.000 1.042 543 N CA 1.014 54.000 53.050 -0.106 0.000 0.902 543 N CB 0.370 38.558 38.487 -0.499 0.000 0.986 543 N HN 0.583 nan 8.380 nan 0.000 0.447 544 Y N -1.069 119.178 120.300 -0.090 0.000 2.512 544 Y HA 0.306 4.857 4.550 0.002 0.000 0.268 544 Y C 2.003 177.732 175.900 -0.284 0.000 1.102 544 Y CA -0.173 57.803 58.100 -0.207 0.000 1.261 544 Y CB 0.240 38.548 38.460 -0.254 0.000 1.250 544 Y HN -0.135 nan 8.280 nan 0.000 0.506 545 M N -0.037 119.394 119.600 -0.281 0.000 2.557 545 M HA 0.200 4.681 4.480 0.001 0.000 0.262 545 M C 0.542 176.794 176.300 -0.080 0.000 1.168 545 M CA 0.736 55.839 55.300 -0.328 0.000 1.194 545 M CB -0.576 31.523 32.600 -0.836 0.000 1.311 545 M HN -0.004 nan 8.290 nan 0.000 0.489 546 L N 1.322 122.547 121.223 0.003 0.000 2.461 546 L HA 0.091 4.432 4.340 0.001 0.000 0.272 546 L C 0.177 177.088 176.870 0.069 0.000 1.197 546 L CA 0.084 54.913 54.840 -0.019 0.000 0.836 546 L CB 0.026 41.941 42.059 -0.240 0.000 1.105 546 L HN 0.443 nan 8.230 nan 0.000 0.477 547 H N 0.231 119.234 119.070 -0.113 0.000 3.017 547 H HA 0.403 4.960 4.556 0.002 0.000 0.346 547 H C -1.160 174.124 175.328 -0.073 0.000 1.286 547 H CA -1.290 54.744 56.048 -0.023 0.000 1.120 547 H CB 1.522 31.309 29.762 0.043 0.000 1.860 547 H HN 0.423 nan 8.280 nan 0.000 0.542 548 K N 1.975 122.250 120.400 -0.208 0.000 2.379 548 K HA 0.427 4.747 4.320 0.001 0.000 0.284 548 K C -0.167 176.082 176.600 -0.585 0.000 1.044 548 K CA -0.053 56.064 56.287 -0.283 0.000 0.974 548 K CB 0.574 33.011 32.500 -0.107 0.000 0.962 548 K HN 0.651 nan 8.250 nan 0.000 0.474 549 A N 3.620 126.201 122.820 -0.398 0.000 2.425 549 A HA 0.357 4.677 4.320 0.001 0.000 0.242 549 A C 0.586 178.055 177.584 -0.192 0.000 1.077 549 A CA 0.137 51.987 52.037 -0.312 0.000 0.781 549 A CB 0.440 19.352 19.000 -0.146 0.000 1.020 549 A HN 0.934 nan 8.150 nan 0.000 0.494 550 G N -0.334 108.414 108.800 -0.087 0.000 2.553 550 G HA2 0.361 4.322 3.960 0.001 0.000 0.278 550 G HA3 0.361 4.322 3.960 0.001 0.000 0.278 550 G C 1.226 176.136 174.900 0.016 0.000 1.349 550 G CA 0.377 45.469 45.100 -0.013 0.000 1.037 550 G HN 1.382 nan 8.290 nan 0.000 0.508 551 S N -0.990 114.729 115.700 0.032 0.000 2.419 551 S HA -0.185 4.286 4.470 0.001 0.000 0.233 551 S C 2.366 177.015 174.600 0.080 0.000 1.016 551 S CA 1.630 59.854 58.200 0.041 0.000 0.974 551 S CB -0.536 62.684 63.200 0.034 0.000 0.786 551 S HN 0.969 nan 8.310 nan 0.000 0.492 552 S N 1.087 116.860 115.700 0.122 0.000 2.447 552 S HA 0.061 4.531 4.470 0.001 0.000 0.233 552 S C 1.494 176.240 174.600 0.244 0.000 1.006 552 S CA 0.959 59.289 58.200 0.217 0.000 0.957 552 S CB -0.472 62.900 63.200 0.285 0.000 0.773 552 S HN 0.451 nan 8.310 nan 0.000 0.507 553 S N 0.229 116.021 115.700 0.153 0.000 2.701 553 S HA 0.600 5.070 4.470 0.001 0.000 0.242 553 S C 0.855 175.424 174.600 -0.051 0.000 1.025 553 S CA -0.059 58.204 58.200 0.104 0.000 1.016 553 S CB 0.514 63.784 63.200 0.117 0.000 0.977 553 S HN 1.094 nan 8.310 nan 0.000 0.546 554 G N 2.413 111.204 108.800 -0.015 0.000 2.542 554 G HA2 -0.225 3.736 3.960 0.001 0.000 0.235 554 G HA3 -0.225 3.736 3.960 0.001 0.000 0.235 554 G C -0.886 173.966 174.900 -0.080 0.000 1.286 554 G CA -0.125 44.949 45.100 -0.043 0.000 0.904 554 G HN 0.363 nan 8.290 nan 0.000 0.577 555 D N 1.466 121.816 120.400 -0.084 0.000 2.479 555 D HA 0.571 5.212 4.640 0.001 0.000 0.218 555 D C 0.659 176.889 176.300 -0.117 0.000 1.131 555 D CA -0.078 53.873 54.000 -0.081 0.000 0.916 555 D CB -0.450 40.321 40.800 -0.049 0.000 1.022 555 D HN 0.803 nan 8.370 nan 0.000 0.515 556 R N 1.525 121.936 120.500 -0.149 0.000 2.765 556 R HA 0.365 4.706 4.340 0.001 0.000 0.277 556 R C -1.248 174.932 176.300 -0.201 0.000 1.028 556 R CA -0.973 55.017 56.100 -0.183 0.000 0.860 556 R CB 0.432 30.575 30.300 -0.262 0.000 1.270 556 R HN 0.058 nan 8.270 nan 0.000 0.484 557 L N 1.905 122.991 121.223 -0.227 0.000 2.380 557 L HA 0.426 4.767 4.340 0.001 0.000 0.273 557 L C 0.387 177.154 176.870 -0.171 0.000 1.138 557 L CA -0.009 54.671 54.840 -0.267 0.000 0.832 557 L CB 1.373 43.161 42.059 -0.453 0.000 1.124 557 L HN 0.962 nan 8.230 nan 0.000 0.454 558 T N -2.725 111.801 114.554 -0.047 0.000 2.773 558 T HA 0.301 4.651 4.350 0.001 0.000 0.278 558 T C 0.698 175.493 174.700 0.159 0.000 1.011 558 T CA -0.065 62.075 62.100 0.067 0.000 1.014 558 T CB 1.604 70.561 68.868 0.148 0.000 1.293 558 T HN 0.586 nan 8.240 nan 0.000 0.554 559 T N -2.281 112.385 114.554 0.187 0.000 3.144 559 T HA 0.521 4.871 4.350 0.001 0.000 0.249 559 T C 1.369 176.153 174.700 0.139 0.000 1.089 559 T CA 0.359 62.577 62.100 0.196 0.000 0.989 559 T CB -1.093 67.952 68.868 0.295 0.000 0.992 559 T HN 1.774 nan 8.240 nan 0.000 0.540 560 G N 1.536 110.389 108.800 0.088 0.000 2.598 560 G HA2 -0.214 3.746 3.960 0.001 0.000 0.244 560 G HA3 -0.214 3.746 3.960 0.001 0.000 0.244 560 G C -0.287 174.693 174.900 0.133 0.000 1.302 560 G CA -0.599 44.430 45.100 -0.117 0.000 0.903 560 G HN 0.824 nan 8.290 nan 0.000 0.575 561 V N 1.109 121.087 119.914 0.107 0.000 2.583 561 V HA 0.332 4.453 4.120 0.001 0.000 0.302 561 V C 1.195 177.570 176.094 0.469 0.000 1.033 561 V CA 1.403 63.813 62.300 0.183 0.000 1.194 561 V CB -0.244 31.565 31.823 -0.023 0.000 0.879 561 V HN 2.086 nan 8.190 nan 0.000 0.482 562 A N 5.194 128.327 122.820 0.522 0.000 2.469 562 A HA 0.860 5.181 4.320 0.001 0.000 0.299 562 A C -1.490 176.545 177.584 0.752 0.000 1.098 562 A CA -0.626 51.800 52.037 0.649 0.000 0.737 562 A CB 1.845 21.130 19.000 0.476 0.000 1.312 562 A HN 0.788 nan 8.150 nan 0.000 0.414 563 Y N 0.659 121.254 120.300 0.492 0.000 2.421 563 Y HA 0.606 5.156 4.550 0.001 0.000 0.339 563 Y C -0.148 175.887 175.900 0.224 0.000 0.996 563 Y CA -0.716 57.594 58.100 0.349 0.000 1.046 563 Y CB 2.269 40.759 38.460 0.051 0.000 1.226 563 Y HN 0.651 nan 8.280 nan 0.000 0.445 564 S N 7.990 123.436 115.700 -0.424 0.000 2.422 564 S HA 0.493 4.964 4.470 0.001 0.000 0.298 564 S C -2.798 171.354 174.600 -0.747 0.000 1.118 564 S CA -1.695 56.215 58.200 -0.484 0.000 1.083 564 S CB 0.289 63.286 63.200 -0.338 0.000 0.971 564 S HN 0.416 nan 8.310 nan 0.000 0.478 565 P HA 0.132 nan 4.420 nan 0.000 0.263 565 P C -0.771 176.272 177.300 -0.428 0.000 1.195 565 P CA 0.256 63.028 63.100 -0.546 0.000 0.762 565 P CB 0.215 31.562 31.700 -0.589 0.000 0.799 566 E N 2.866 123.059 120.200 -0.011 0.000 3.898 566 E HA 0.131 4.481 4.350 0.001 0.000 0.219 566 E C -0.180 176.520 176.600 0.165 0.000 1.207 566 E CA -0.314 56.166 56.400 0.133 0.000 1.240 566 E CB 0.630 30.523 29.700 0.321 0.000 1.239 566 E HN 0.505 nan 8.360 nan 0.000 0.422 567 Q N -0.734 118.975 119.800 -0.152 0.000 2.565 567 Q HA 0.755 5.096 4.340 0.001 0.000 0.294 567 Q C 0.127 176.191 176.000 0.107 0.000 1.005 567 Q CA -0.730 55.005 55.803 -0.114 0.000 0.771 567 Q CB 1.857 30.223 28.738 -0.620 0.000 1.486 567 Q HN 0.205 nan 8.270 nan 0.000 0.422 568 G N 0.040 108.914 108.800 0.123 0.000 2.698 568 G HA2 -0.105 3.856 3.960 0.001 0.000 0.225 568 G HA3 -0.105 3.856 3.960 0.001 0.000 0.225 568 G C -2.827 172.095 174.900 0.036 0.000 1.345 568 G CA -0.547 44.519 45.100 -0.056 0.000 0.871 568 G HN 0.635 nan 8.290 nan 0.000 0.540 569 P HA 0.476 nan 4.420 nan 0.000 0.271 569 P C -0.254 177.211 177.300 0.274 0.000 1.218 569 P CA -0.349 62.755 63.100 0.008 0.000 0.780 569 P CB 0.514 32.157 31.700 -0.095 0.000 0.901 570 L N 2.651 124.014 121.223 0.233 0.000 2.255 570 L HA 0.514 4.855 4.340 0.001 0.000 0.289 570 L C 1.095 178.012 176.870 0.079 0.000 1.046 570 L CA 0.603 55.620 54.840 0.295 0.000 0.816 570 L CB -0.337 41.777 42.059 0.092 0.000 1.197 570 L HN 0.715 nan 8.230 nan 0.000 0.427 571 G N 1.215 110.173 108.800 0.264 0.000 2.520 571 G HA2 -0.195 3.766 3.960 0.001 0.000 0.264 571 G HA3 -0.195 3.766 3.960 0.001 0.000 0.264 571 G C 0.137 175.126 174.900 0.149 0.000 1.140 571 G CA -0.013 45.103 45.100 0.026 0.000 1.012 571 G HN 0.752 nan 8.290 nan 0.000 0.511 572 T N -2.271 112.468 114.554 0.308 0.000 2.824 572 T HA 0.569 4.919 4.350 0.001 0.000 0.277 572 T C 0.149 175.033 174.700 0.307 0.000 0.975 572 T CA -0.097 62.205 62.100 0.337 0.000 0.966 572 T CB 2.020 71.147 68.868 0.432 0.000 1.054 572 T HN 0.116 nan 8.240 nan 0.000 0.533 573 D N 0.616 121.208 120.400 0.319 0.000 2.517 573 D HA 0.403 5.044 4.640 0.001 0.000 0.220 573 D C 1.168 177.672 176.300 0.341 0.000 1.158 573 D CA 1.070 55.257 54.000 0.313 0.000 0.992 573 D CB -0.935 40.040 40.800 0.292 0.000 1.058 573 D HN 1.058 nan 8.370 nan 0.000 0.516 574 G N 2.927 111.926 108.800 0.330 0.000 2.749 574 G HA2 -0.174 3.787 3.960 0.001 0.000 0.242 574 G HA3 -0.174 3.787 3.960 0.001 0.000 0.242 574 G C -0.244 174.858 174.900 0.337 0.000 1.364 574 G CA 0.008 45.314 45.100 0.344 0.000 0.888 574 G HN 0.915 nan 8.290 nan 0.000 0.566 575 N N -4.536 114.327 118.700 0.272 0.000 3.355 575 N HA 0.453 5.193 4.740 0.001 0.000 0.238 575 N C 0.530 175.953 175.510 -0.144 0.000 1.466 575 N CA 0.341 53.341 53.050 -0.083 0.000 0.882 575 N CB 0.100 38.543 38.487 -0.074 0.000 1.406 575 N HN 0.570 nan 8.380 nan 0.000 0.500 576 T N -0.760 113.526 114.554 -0.447 0.000 2.821 576 T HA -0.117 4.234 4.350 0.001 0.000 0.267 576 T C 1.169 175.807 174.700 -0.104 0.000 1.046 576 T CA 1.556 63.488 62.100 -0.279 0.000 1.139 576 T CB -0.598 68.054 68.868 -0.360 0.000 0.871 576 T HN 0.482 nan 8.240 nan 0.000 0.454 577 Y N 2.575 122.743 120.300 -0.220 0.000 2.030 577 Y HA -0.214 4.336 4.550 0.001 0.000 0.274 577 Y C 2.398 178.222 175.900 -0.127 0.000 1.153 577 Y CA 1.626 59.621 58.100 -0.175 0.000 1.115 577 Y CB -0.389 37.987 38.460 -0.141 0.000 0.969 577 Y HN 0.122 nan 8.280 nan 0.000 0.488 578 E N -0.294 119.828 120.200 -0.130 0.000 2.077 578 E HA -0.162 4.189 4.350 0.001 0.000 0.193 578 E C 2.375 178.875 176.600 -0.167 0.000 0.989 578 E CA 1.497 57.766 56.400 -0.219 0.000 0.800 578 E CB -0.343 29.397 29.700 0.067 0.000 0.746 578 E HN 0.474 nan 8.360 nan 0.000 0.452 579 S N 0.868 116.547 115.700 -0.035 0.000 2.383 579 S HA -0.079 4.391 4.470 0.001 0.000 0.227 579 S C 2.221 176.795 174.600 -0.043 0.000 1.026 579 S CA 0.815 59.012 58.200 -0.004 0.000 0.981 579 S CB -0.057 63.212 63.200 0.113 0.000 0.818 579 S HN 0.134 nan 8.310 nan 0.000 0.472 580 S N 1.617 117.252 115.700 -0.109 0.000 2.368 580 S HA 0.055 4.525 4.470 0.001 0.000 0.225 580 S C 1.776 176.299 174.600 -0.128 0.000 1.030 580 S CA 0.923 59.037 58.200 -0.144 0.000 0.999 580 S CB -0.334 62.738 63.200 -0.212 0.000 0.844 580 S HN 0.367 nan 8.310 nan 0.000 0.459 581 L N 0.716 121.778 121.223 -0.268 0.000 2.109 581 L HA -0.013 4.327 4.340 0.001 0.000 0.207 581 L C 2.259 178.973 176.870 -0.261 0.000 1.086 581 L CA 0.683 55.335 54.840 -0.313 0.000 0.760 581 L CB -0.499 41.264 42.059 -0.492 0.000 0.910 581 L HN 0.188 nan 8.230 nan 0.000 0.437 582 V N -1.187 118.550 119.914 -0.296 0.000 2.427 582 V HA -0.277 3.843 4.120 0.001 0.000 0.248 582 V C 2.077 178.059 176.094 -0.187 0.000 1.051 582 V CA 1.655 63.742 62.300 -0.355 0.000 1.048 582 V CB -0.565 31.009 31.823 -0.415 0.000 0.666 582 V HN 0.597 nan 8.190 nan 0.000 0.456 583 W N 0.890 122.047 121.300 -0.238 0.000 2.317 583 W HA -0.332 4.329 4.660 0.000 0.000 0.318 583 W C 2.663 179.073 176.519 -0.182 0.000 1.227 583 W CA 2.377 59.615 57.345 -0.179 0.000 1.269 583 W CB -0.177 29.197 29.460 -0.142 0.000 1.155 583 W HN 0.178 nan 8.180 nan 0.000 0.484 584 Q N 0.230 120.150 119.800 0.201 0.000 2.061 584 Q HA -0.282 4.059 4.340 0.001 0.000 0.204 584 Q C 2.399 178.263 176.000 -0.227 0.000 0.984 584 Q CA 2.649 58.474 55.803 0.038 0.000 0.846 584 Q CB -0.891 27.890 28.738 0.071 0.000 0.902 584 Q HN 0.502 nan 8.270 nan 0.000 0.421 585 M N -0.862 118.589 119.600 -0.249 0.000 2.080 585 M HA -0.190 4.291 4.480 0.001 0.000 0.260 585 M C 1.647 177.678 176.300 -0.449 0.000 1.068 585 M CA 1.531 56.633 55.300 -0.329 0.000 1.109 585 M CB -0.071 32.331 32.600 -0.329 0.000 1.342 585 M HN 0.335 nan 8.290 nan 0.000 0.405 586 L N -0.122 120.819 121.223 -0.471 0.000 2.093 586 L HA -0.235 4.106 4.340 0.001 0.000 0.208 586 L C 2.494 179.068 176.870 -0.494 0.000 1.085 586 L CA 1.280 55.807 54.840 -0.523 0.000 0.755 586 L CB -1.177 40.630 42.059 -0.421 0.000 0.904 586 L HN 0.537 nan 8.230 nan 0.000 0.435 587 N N 0.443 118.777 118.700 -0.610 0.000 2.043 587 N HA -0.231 4.509 4.740 0.001 0.000 0.193 587 N C 1.308 176.579 175.510 -0.399 0.000 1.037 587 N CA 2.091 54.788 53.050 -0.590 0.000 0.851 587 N CB 0.015 38.017 38.487 -0.809 0.000 1.027 587 N HN 0.285 nan 8.380 nan 0.000 0.422 588 D N 0.610 120.731 120.400 -0.465 0.000 2.117 588 D HA -0.027 4.614 4.640 0.001 0.000 0.198 588 D C 1.906 177.864 176.300 -0.571 0.000 0.982 588 D CA 1.071 54.658 54.000 -0.688 0.000 0.828 588 D CB -0.532 39.694 40.800 -0.957 0.000 0.967 588 D HN 0.408 nan 8.370 nan 0.000 0.464 589 A N 0.681 123.218 122.820 -0.472 0.000 1.908 589 A HA -0.150 4.170 4.320 0.001 0.000 0.218 589 A C 2.341 179.926 177.584 0.001 0.000 1.181 589 A CA 0.968 52.785 52.037 -0.368 0.000 0.627 589 A CB -0.740 17.674 19.000 -0.977 0.000 0.818 589 A HN 0.196 nan 8.150 nan 0.000 0.445 590 I N -0.613 119.950 120.570 -0.012 0.000 2.252 590 I HA -0.243 3.928 4.170 0.001 0.000 0.245 590 I C 2.506 178.679 176.117 0.092 0.000 1.102 590 I CA 1.508 62.907 61.300 0.165 0.000 1.385 590 I CB -0.377 37.666 38.000 0.072 0.000 1.064 590 I HN 0.422 nan 8.210 nan 0.000 0.414 591 E N 0.815 121.020 120.200 0.007 0.000 2.077 591 E HA -0.232 4.119 4.350 0.001 0.000 0.193 591 E C 2.327 179.001 176.600 0.123 0.000 0.989 591 E CA 1.351 57.795 56.400 0.074 0.000 0.800 591 E CB -0.180 29.591 29.700 0.118 0.000 0.746 591 E HN 0.526 nan 8.360 nan 0.000 0.452 592 A N 1.410 124.296 122.820 0.111 0.000 1.898 592 A HA -0.074 4.247 4.320 0.001 0.000 0.216 592 A C 2.386 179.965 177.584 -0.008 0.000 1.181 592 A CA 1.566 53.666 52.037 0.105 0.000 0.620 592 A CB -0.638 18.492 19.000 0.216 0.000 0.819 592 A HN 0.292 nan 8.150 nan 0.000 0.442 593 A N 0.019 122.906 122.820 0.111 0.000 1.865 593 A HA -0.204 4.117 4.320 0.001 0.000 0.217 593 A C 2.110 179.640 177.584 -0.089 0.000 1.191 593 A CA 1.935 53.942 52.037 -0.050 0.000 0.623 593 A CB -0.547 18.610 19.000 0.261 0.000 0.826 593 A HN 0.530 nan 8.150 nan 0.000 0.444 594 K N -0.460 119.940 120.400 0.000 0.000 2.044 594 K HA -0.176 4.144 4.320 0.001 0.000 0.210 594 K C 2.228 178.814 176.600 -0.024 0.000 1.049 594 K CA 1.351 57.634 56.287 -0.007 0.000 0.927 594 K CB -0.387 32.128 32.500 0.026 0.000 0.713 594 K HN 0.468 nan 8.250 nan 0.000 0.443 595 A N 1.466 124.278 122.820 -0.013 0.000 2.019 595 A HA -0.161 4.160 4.320 0.001 0.000 0.219 595 A C 1.627 179.164 177.584 -0.077 0.000 1.164 595 A CA 1.393 53.424 52.037 -0.010 0.000 0.644 595 A CB -0.161 18.859 19.000 0.033 0.000 0.805 595 A HN 0.222 nan 8.150 nan 0.000 0.449 596 K N -1.704 118.598 120.400 -0.163 0.000 2.404 596 K HA 0.246 4.567 4.320 0.001 0.000 0.194 596 K C 0.969 177.476 176.600 -0.155 0.000 1.023 596 K CA 0.460 56.623 56.287 -0.206 0.000 1.094 596 K CB 0.140 32.403 32.500 -0.395 0.000 0.841 596 K HN 0.616 nan 8.250 nan 0.000 0.523 597 G N 2.514 111.246 108.800 -0.115 0.000 2.141 597 G HA2 -0.277 3.684 3.960 0.001 0.000 0.242 597 G HA3 -0.277 3.684 3.960 0.001 0.000 0.242 597 G C -0.115 174.729 174.900 -0.095 0.000 0.982 597 G CA 0.155 45.203 45.100 -0.085 0.000 0.662 597 G HN 0.419 nan 8.290 nan 0.000 0.527 598 D N -0.609 119.715 120.400 -0.127 0.000 2.735 598 D HA -0.153 4.487 4.640 0.001 0.000 0.235 598 D C 0.111 176.348 176.300 -0.104 0.000 1.175 598 D CA 1.213 55.143 54.000 -0.117 0.000 0.683 598 D CB -0.207 40.544 40.800 -0.081 0.000 1.008 598 D HN 0.435 nan 8.370 nan 0.000 0.416 599 P HA -0.083 nan 4.420 nan 0.000 0.225 599 P C 0.707 177.982 177.300 -0.042 0.000 1.148 599 P CA 0.747 63.805 63.100 -0.070 0.000 0.779 599 P CB 0.314 31.973 31.700 -0.069 0.000 0.780 600 D N -0.708 119.675 120.400 -0.029 0.000 2.350 600 D HA 0.103 4.743 4.640 0.001 0.000 0.213 600 D C 1.225 177.466 176.300 -0.098 0.000 1.031 600 D CA 0.630 54.615 54.000 -0.026 0.000 0.861 600 D CB -0.178 40.648 40.800 0.045 0.000 0.926 600 D HN 0.144 nan 8.370 nan 0.000 0.520 601 G N 1.783 110.510 108.800 -0.122 0.000 2.314 601 G HA2 -0.269 3.692 3.960 0.001 0.000 0.292 601 G HA3 -0.269 3.692 3.960 0.001 0.000 0.292 601 G C 0.751 175.503 174.900 -0.245 0.000 1.059 601 G CA 0.205 45.215 45.100 -0.149 0.000 0.982 601 G HN 0.377 nan 8.290 nan 0.000 0.505 602 L N -1.048 119.944 121.223 -0.385 0.000 2.609 602 L HA 0.129 4.469 4.340 0.001 0.000 0.230 602 L C 2.634 179.060 176.870 -0.740 0.000 1.087 602 L CA 0.140 54.522 54.840 -0.764 0.000 0.874 602 L CB 0.042 41.282 42.059 -1.366 0.000 1.114 602 L HN 0.243 nan 8.230 nan 0.000 0.488 603 V N 0.442 120.145 119.914 -0.352 0.000 2.295 603 V HA -0.068 4.052 4.120 0.001 0.000 0.246 603 V C 1.726 177.781 176.094 -0.065 0.000 1.049 603 V CA 1.653 63.904 62.300 -0.082 0.000 1.024 603 V CB -1.131 30.694 31.823 0.003 0.000 0.648 603 V HN 0.652 nan 8.190 nan 0.000 0.447 604 G N 1.051 109.788 108.800 -0.105 0.000 2.552 604 G HA2 -0.283 3.677 3.960 0.001 0.000 0.265 604 G HA3 -0.283 3.677 3.960 0.001 0.000 0.265 604 G C -0.232 174.650 174.900 -0.031 0.000 1.234 604 G CA 0.510 45.564 45.100 -0.077 0.000 0.944 604 G HN 1.139 nan 8.290 nan 0.000 0.568 605 N N -3.548 115.142 118.700 -0.017 0.000 3.364 605 N HA 0.596 5.337 4.740 0.001 0.000 0.294 605 N C 0.128 175.646 175.510 0.014 0.000 1.562 605 N CA 0.515 53.564 53.050 -0.001 0.000 0.862 605 N CB 0.677 39.157 38.487 -0.012 0.000 1.691 605 N HN 1.266 nan 8.380 nan 0.000 0.572 606 T N -3.758 110.806 114.554 0.018 0.000 3.248 606 T HA 0.315 4.665 4.350 0.001 0.000 0.271 606 T C -0.405 174.306 174.700 0.019 0.000 1.005 606 T CA -0.299 61.818 62.100 0.029 0.000 0.902 606 T CB -1.080 67.810 68.868 0.038 0.000 1.102 606 T HN 0.477 nan 8.240 nan 0.000 0.548 607 T N 3.333 117.889 114.554 0.004 0.000 2.851 607 T HA 0.237 4.587 4.350 0.001 0.000 0.298 607 T C -0.067 174.629 174.700 -0.006 0.000 0.977 607 T CA -0.183 61.915 62.100 -0.003 0.000 1.126 607 T CB 0.319 69.179 68.868 -0.013 0.000 0.916 607 T HN 0.389 nan 8.240 nan 0.000 0.529 608 D N 0.356 120.755 120.400 -0.003 0.000 2.697 608 D HA -0.156 4.485 4.640 0.001 0.000 0.238 608 D C -0.090 176.213 176.300 0.006 0.000 1.152 608 D CA 0.336 54.333 54.000 -0.005 0.000 0.666 608 D CB -1.314 39.473 40.800 -0.022 0.000 1.037 608 D HN 0.593 nan 8.370 nan 0.000 0.423 609 C N 1.278 120.596 119.300 0.030 0.000 2.264 609 C HA 0.698 5.159 4.460 0.001 0.000 0.324 609 C C 0.263 175.304 174.990 0.086 0.000 1.267 609 C CA -0.016 59.044 59.018 0.069 0.000 1.618 609 C CB 0.663 28.446 27.740 0.073 0.000 2.278 609 C HN 0.426 nan 8.230 nan 0.000 0.499 610 S N 3.579 119.360 115.700 0.135 0.000 2.550 610 S HA 0.647 5.117 4.470 0.001 0.000 0.270 610 S C 0.515 175.255 174.600 0.233 0.000 1.145 610 S CA 0.191 58.468 58.200 0.129 0.000 0.852 610 S CB 1.585 64.835 63.200 0.083 0.000 1.119 610 S HN 1.470 nan 8.310 nan 0.000 0.465 611 A N 2.074 124.984 122.820 0.149 0.000 2.067 611 A HA 0.017 4.338 4.320 0.001 0.000 0.219 611 A C 1.417 179.155 177.584 0.256 0.000 1.158 611 A CA 1.591 53.725 52.037 0.161 0.000 0.661 611 A CB -0.634 18.356 19.000 -0.017 0.000 0.801 611 A HN 0.855 nan 8.150 nan 0.000 0.452 612 D N 0.514 121.016 120.400 0.170 0.000 2.309 612 D HA -0.120 4.520 4.640 0.001 0.000 0.212 612 D C 0.964 177.362 176.300 0.163 0.000 0.968 612 D CA 0.785 54.871 54.000 0.143 0.000 0.882 612 D CB -0.306 40.541 40.800 0.079 0.000 0.918 612 D HN 0.354 nan 8.370 nan 0.000 0.503 613 N N -0.199 118.614 118.700 0.188 0.000 2.519 613 N HA -0.135 4.605 4.740 0.001 0.000 0.186 613 N C 1.115 176.540 175.510 -0.140 0.000 1.062 613 N CA 0.421 53.452 53.050 -0.031 0.000 0.910 613 N CB -0.188 38.179 38.487 -0.201 0.000 0.958 613 N HN 0.447 nan 8.380 nan 0.000 0.445 614 W N 1.110 122.442 121.300 0.053 0.000 3.353 614 W HA 0.381 5.040 4.660 -0.001 0.000 0.304 614 W C 0.249 176.952 176.519 0.307 0.000 1.273 614 W CA -0.797 56.685 57.345 0.228 0.000 1.773 614 W CB -0.068 29.509 29.460 0.195 0.000 1.095 614 W HN -0.083 nan 8.180 nan 0.000 0.676 615 A N 1.966 124.980 122.820 0.323 0.000 2.540 615 A HA 0.182 4.503 4.320 0.001 0.000 0.239 615 A C 0.167 177.866 177.584 0.191 0.000 1.061 615 A CA 0.677 52.839 52.037 0.210 0.000 0.758 615 A CB 0.217 19.293 19.000 0.128 0.000 0.991 615 A HN 0.211 nan 8.150 nan 0.000 0.502 616 K N 1.466 121.911 120.400 0.076 0.000 2.375 616 K HA 0.322 4.643 4.320 0.001 0.000 0.249 616 K C -0.417 176.168 176.600 -0.025 0.000 0.942 616 K CA -0.933 55.326 56.287 -0.047 0.000 0.806 616 K CB 1.601 33.995 32.500 -0.177 0.000 1.227 616 K HN 0.890 nan 8.250 nan 0.000 0.430 617 N N 0.126 118.801 118.700 -0.042 0.000 2.364 617 N HA 0.022 4.763 4.740 0.001 0.000 0.264 617 N C 0.148 175.638 175.510 -0.033 0.000 1.263 617 N CA -0.110 52.926 53.050 -0.024 0.000 0.959 617 N CB 0.325 38.802 38.487 -0.016 0.000 1.204 617 N HN 0.396 nan 8.380 nan 0.000 0.550 618 D N -0.875 119.514 120.400 -0.019 0.000 2.158 618 D HA -0.194 4.446 4.640 0.001 0.000 0.197 618 D C 1.557 177.843 176.300 -0.023 0.000 0.995 618 D CA 1.962 55.952 54.000 -0.016 0.000 0.846 618 D CB -0.555 40.239 40.800 -0.010 0.000 0.941 618 D HN 0.702 nan 8.370 nan 0.000 0.456 619 S N -1.071 114.613 115.700 -0.028 0.000 2.515 619 S HA 0.096 4.566 4.470 0.001 0.000 0.231 619 S C 1.815 176.389 174.600 -0.045 0.000 0.987 619 S CA 1.169 59.353 58.200 -0.027 0.000 0.936 619 S CB 0.088 63.275 63.200 -0.022 0.000 0.766 619 S HN 0.380 nan 8.310 nan 0.000 0.528 620 G N 0.930 109.681 108.800 -0.082 0.000 2.175 620 G HA2 -0.226 3.735 3.960 0.001 0.000 0.244 620 G HA3 -0.226 3.735 3.960 0.001 0.000 0.244 620 G C -0.183 174.551 174.900 -0.276 0.000 0.982 620 G CA -0.038 44.973 45.100 -0.149 0.000 0.641 620 G HN 0.557 nan 8.290 nan 0.000 0.527 621 N N 0.369 118.952 118.700 -0.195 0.000 2.525 621 N HA 0.489 5.230 4.740 0.001 0.000 0.271 621 N C 0.238 175.603 175.510 -0.241 0.000 1.194 621 N CA -0.190 52.737 53.050 -0.206 0.000 0.964 621 N CB 0.222 38.669 38.487 -0.066 0.000 1.126 621 N HN 0.077 nan 8.380 nan 0.000 0.452 622 F N 0.524 120.420 119.950 -0.091 0.000 2.572 622 F HA -0.007 4.520 4.527 -0.000 0.000 0.370 622 F C 2.203 177.958 175.800 -0.074 0.000 1.103 622 F CA 0.144 58.082 58.000 -0.103 0.000 1.286 622 F CB 0.109 39.006 39.000 -0.171 0.000 1.105 622 F HN 0.424 nan 8.300 nan 0.000 0.583 623 T N -0.074 114.566 114.554 0.143 0.000 2.746 623 T HA -0.190 4.160 4.350 0.001 0.000 0.267 623 T C 0.465 175.195 174.700 0.050 0.000 1.039 623 T CA 1.445 63.587 62.100 0.069 0.000 1.142 623 T CB -0.196 68.708 68.868 0.061 0.000 0.866 623 T HN 0.435 nan 8.240 nan 0.000 0.444 624 D N 0.237 120.663 120.400 0.043 0.000 2.461 624 D HA 0.541 5.182 4.640 0.001 0.000 0.240 624 D C 0.767 177.036 176.300 -0.052 0.000 1.094 624 D CA -0.373 53.617 54.000 -0.017 0.000 0.868 624 D CB 1.169 41.940 40.800 -0.049 0.000 1.062 624 D HN 0.091 nan 8.370 nan 0.000 0.530 625 A N 4.003 126.807 122.820 -0.028 0.000 2.024 625 A HA -0.184 4.137 4.320 0.001 0.000 0.220 625 A C 1.447 178.958 177.584 -0.120 0.000 1.164 625 A CA 1.282 53.294 52.037 -0.042 0.000 0.643 625 A CB -0.270 18.721 19.000 -0.015 0.000 0.806 625 A HN 0.682 nan 8.150 nan 0.000 0.451 626 N N -0.716 117.912 118.700 -0.120 0.000 2.236 626 N HA 0.393 5.134 4.740 0.001 0.000 0.196 626 N C 0.360 175.767 175.510 -0.172 0.000 1.114 626 N CA 0.203 53.173 53.050 -0.133 0.000 0.859 626 N CB 0.326 38.761 38.487 -0.088 0.000 0.982 626 N HN 0.448 nan 8.380 nan 0.000 0.493 627 A N 1.109 123.797 122.820 -0.220 0.000 2.466 627 A HA 0.050 4.371 4.320 0.001 0.000 0.238 627 A C 0.346 177.738 177.584 -0.321 0.000 1.074 627 A CA -0.148 51.740 52.037 -0.248 0.000 0.774 627 A CB 0.114 18.948 19.000 -0.278 0.000 1.015 627 A HN 0.234 nan 8.150 nan 0.000 0.498 628 N N 0.676 119.226 118.700 -0.251 0.000 2.406 628 N HA 0.083 4.824 4.740 0.001 0.000 0.265 628 N C 0.052 175.341 175.510 -0.370 0.000 1.203 628 N CA 0.378 53.288 53.050 -0.233 0.000 0.945 628 N CB -0.035 38.383 38.487 -0.114 0.000 1.165 628 N HN 0.543 nan 8.380 nan 0.000 0.485 629 R N 1.282 121.505 120.500 -0.463 0.000 2.727 629 R HA 0.126 4.467 4.340 0.001 0.000 0.410 629 R C 0.100 176.328 176.300 -0.119 0.000 1.101 629 R CA -0.393 55.353 56.100 -0.590 0.000 1.045 629 R CB 0.163 29.775 30.300 -1.148 0.000 1.380 629 R HN 0.588 nan 8.270 nan 0.000 0.587 630 S N -1.015 114.657 115.700 -0.046 0.000 2.600 630 S HA 0.050 4.521 4.470 0.001 0.000 0.265 630 S C 1.030 175.758 174.600 0.213 0.000 1.325 630 S CA -0.713 57.482 58.200 -0.008 0.000 1.002 630 S CB 0.698 63.864 63.200 -0.057 0.000 0.921 630 S HN 0.265 nan 8.310 nan 0.000 0.554 631 W N 1.144 122.459 121.300 0.026 0.000 2.321 631 W HA -0.089 4.571 4.660 0.000 0.000 0.306 631 W C 2.805 179.314 176.519 -0.016 0.000 1.217 631 W CA 0.862 58.213 57.345 0.010 0.000 1.257 631 W CB -2.075 27.377 29.460 -0.014 0.000 1.145 631 W HN 0.715 nan 8.180 nan 0.000 0.509 632 S N -0.421 115.399 115.700 0.200 0.000 2.368 632 S HA -0.211 4.259 4.470 0.001 0.000 0.225 632 S C 2.008 176.666 174.600 0.096 0.000 1.030 632 S CA 1.520 59.778 58.200 0.097 0.000 0.999 632 S CB -0.969 62.267 63.200 0.060 0.000 0.844 632 S HN 0.400 nan 8.310 nan 0.000 0.459 633 C N 2.024 121.402 119.300 0.130 0.000 2.436 633 C HA -0.010 4.450 4.460 0.001 0.000 0.277 633 C C 2.946 178.054 174.990 0.196 0.000 1.241 633 C CA 0.996 60.113 59.018 0.164 0.000 1.721 633 C CB -1.497 26.354 27.740 0.184 0.000 2.043 633 C HN 0.570 nan 8.230 nan 0.000 0.472 634 A N 0.241 123.220 122.820 0.265 0.000 1.883 634 A HA -0.212 4.109 4.320 0.001 0.000 0.217 634 A C 2.332 179.916 177.584 0.001 0.000 1.186 634 A CA 2.105 54.211 52.037 0.115 0.000 0.624 634 A CB -0.868 18.258 19.000 0.210 0.000 0.822 634 A HN 0.780 nan 8.150 nan 0.000 0.444 635 K N 0.284 120.691 120.400 0.011 0.000 2.044 635 K HA -0.190 4.130 4.320 0.001 0.000 0.210 635 K C 2.220 178.859 176.600 0.065 0.000 1.049 635 K CA 1.939 58.197 56.287 -0.049 0.000 0.927 635 K CB -0.236 32.148 32.500 -0.193 0.000 0.713 635 K HN 0.618 nan 8.250 nan 0.000 0.443 636 S N 0.113 115.852 115.700 0.066 0.000 2.507 636 S HA -0.065 4.406 4.470 0.001 0.000 0.235 636 S C 1.675 176.309 174.600 0.056 0.000 0.988 636 S CA 0.690 58.943 58.200 0.090 0.000 0.944 636 S CB -0.160 63.084 63.200 0.074 0.000 0.762 636 S HN 0.338 nan 8.310 nan 0.000 0.526 637 L N 0.008 121.237 121.223 0.009 0.000 2.590 637 L HA 0.348 4.688 4.340 0.001 0.000 0.227 637 L C 1.974 178.789 176.870 -0.091 0.000 1.099 637 L CA 0.048 54.855 54.840 -0.055 0.000 0.872 637 L CB -0.167 41.817 42.059 -0.124 0.000 1.088 637 L HN 0.273 nan 8.230 nan 0.000 0.479 638 L N -0.646 120.551 121.223 -0.043 0.000 2.056 638 L HA -0.078 4.262 4.340 0.001 0.000 0.207 638 L C 0.737 177.552 176.870 -0.091 0.000 1.078 638 L CA 0.373 55.180 54.840 -0.055 0.000 0.749 638 L CB -0.286 41.797 42.059 0.040 0.000 0.901 638 L HN 0.109 nan 8.230 nan 0.000 0.433 639 K N -0.996 119.377 120.400 -0.045 0.000 3.451 639 K HA -0.173 4.148 4.320 0.001 0.000 0.273 639 K C -1.796 174.725 176.600 -0.132 0.000 0.944 639 K CA 0.391 56.624 56.287 -0.089 0.000 0.734 639 K CB -1.426 31.011 32.500 -0.105 0.000 1.437 639 K HN 0.239 nan 8.250 nan 0.000 0.454 640 P HA -0.063 nan 4.420 nan 0.000 0.221 640 P C 0.578 177.835 177.300 -0.073 0.000 1.150 640 P CA 0.748 63.806 63.100 -0.069 0.000 0.800 640 P CB 0.253 31.848 31.700 -0.176 0.000 0.787 641 I N 0.275 120.665 120.570 -0.300 0.000 2.336 641 I HA 0.363 4.533 4.170 0.001 0.000 0.292 641 I C 0.246 176.084 176.117 -0.466 0.000 0.991 641 I CA -1.113 59.883 61.300 -0.507 0.000 1.227 641 I CB 0.851 38.236 38.000 -1.025 0.000 1.366 641 I HN -0.060 nan 8.210 nan 0.000 0.466 642 E N 4.469 124.521 120.200 -0.245 0.000 2.272 642 E HA 0.556 4.906 4.350 0.001 0.000 0.269 642 E C -1.507 175.053 176.600 -0.067 0.000 0.877 642 E CA -0.610 55.735 56.400 -0.092 0.000 0.755 642 E CB 2.710 32.454 29.700 0.073 0.000 1.192 642 E HN 0.326 nan 8.360 nan 0.000 0.422 643 V N 3.168 123.099 119.914 0.028 0.000 2.439 643 V HA 0.500 4.621 4.120 0.001 0.000 0.282 643 V C 0.862 176.991 176.094 0.058 0.000 1.039 643 V CA -0.245 62.094 62.300 0.066 0.000 0.913 643 V CB 1.212 33.117 31.823 0.136 0.000 0.983 643 V HN 0.784 nan 8.190 nan 0.000 0.460 644 G N 2.072 110.901 108.800 0.049 0.000 2.525 644 G HA2 0.261 4.221 3.960 0.001 0.000 0.287 644 G HA3 0.261 4.221 3.960 0.001 0.000 0.287 644 G C 0.224 175.155 174.900 0.051 0.000 1.350 644 G CA -0.321 44.806 45.100 0.044 0.000 1.039 644 G HN 0.666 nan 8.290 nan 0.000 0.513 645 D N -0.590 119.835 120.400 0.041 0.000 2.340 645 D HA 0.043 4.684 4.640 0.001 0.000 0.220 645 D C 1.724 178.053 176.300 0.048 0.000 1.039 645 D CA 0.451 54.475 54.000 0.041 0.000 0.866 645 D CB 0.542 41.361 40.800 0.031 0.000 0.913 645 D HN 0.166 nan 8.370 nan 0.000 0.523 646 S N -0.548 115.185 115.700 0.056 0.000 2.572 646 S HA 0.295 4.766 4.470 0.001 0.000 0.228 646 S C 1.541 176.235 174.600 0.156 0.000 0.963 646 S CA 0.227 58.489 58.200 0.103 0.000 0.939 646 S CB 0.854 64.092 63.200 0.064 0.000 0.804 646 S HN 0.388 nan 8.310 nan 0.000 0.480 647 G N 2.613 111.480 108.800 0.111 0.000 2.155 647 G HA2 -0.285 3.676 3.960 0.001 0.000 0.257 647 G HA3 -0.285 3.676 3.960 0.001 0.000 0.257 647 G C 0.092 175.066 174.900 0.123 0.000 0.983 647 G CA 0.409 45.574 45.100 0.107 0.000 0.676 647 G HN 0.591 nan 8.290 nan 0.000 0.528 648 Q N 0.610 120.494 119.800 0.141 0.000 2.260 648 Q HA 0.552 4.892 4.340 0.001 0.000 0.238 648 Q C 0.425 176.477 176.000 0.088 0.000 0.948 648 Q CA -0.885 55.007 55.803 0.149 0.000 0.895 648 Q CB 1.029 29.876 28.738 0.182 0.000 1.218 648 Q HN 0.468 nan 8.270 nan 0.000 0.470 649 I N 2.239 122.853 120.570 0.075 0.000 2.517 649 I HA 0.037 4.207 4.170 0.001 0.000 0.285 649 I C 0.635 176.783 176.117 0.051 0.000 1.106 649 I CA -0.079 61.234 61.300 0.022 0.000 1.402 649 I CB 0.269 38.245 38.000 -0.040 0.000 1.399 649 I HN 0.406 nan 8.210 nan 0.000 0.535 650 K N 5.686 126.053 120.400 -0.055 0.000 2.401 650 K HA -0.022 4.298 4.320 0.001 0.000 0.278 650 K C 0.861 177.264 176.600 -0.329 0.000 1.018 650 K CA 0.021 56.220 56.287 -0.147 0.000 0.981 650 K CB 1.002 33.413 32.500 -0.148 0.000 0.933 650 K HN 0.563 nan 8.250 nan 0.000 0.477 651 E N 2.994 122.847 120.200 -0.578 0.000 2.170 651 E HA -0.024 4.326 4.350 0.001 0.000 0.191 651 E C -0.443 175.375 176.600 -1.303 0.000 0.981 651 E CA 0.494 56.225 56.400 -1.116 0.000 0.830 651 E CB 0.467 29.082 29.700 -1.808 0.000 0.775 651 E HN 0.431 nan 8.360 nan 0.000 0.470 652 W N -0.557 120.415 121.300 -0.547 0.000 2.844 652 W HA 0.204 4.864 4.660 0.000 0.000 0.340 652 W C 0.008 176.039 176.519 -0.814 0.000 1.093 652 W CA -0.916 55.950 57.345 -0.799 0.000 1.212 652 W CB 0.280 29.120 29.460 -1.034 0.000 1.422 652 W HN 0.022 nan 8.180 nan 0.000 0.515 653 Y N 0.740 120.871 120.300 -0.282 0.000 2.293 653 Y HA -0.233 4.318 4.550 0.002 0.000 0.291 653 Y C 2.161 178.006 175.900 -0.091 0.000 1.137 653 Y CA 1.379 59.386 58.100 -0.154 0.000 1.202 653 Y CB -0.675 37.744 38.460 -0.069 0.000 0.990 653 Y HN 0.257 nan 8.280 nan 0.000 0.537 654 F N 0.405 120.487 119.950 0.221 0.000 2.769 654 F HA 0.218 4.745 4.527 0.000 0.000 0.304 654 F C 0.510 176.362 175.800 0.087 0.000 1.158 654 F CA -1.108 56.969 58.000 0.129 0.000 1.398 654 F CB -1.415 37.637 39.000 0.087 0.000 1.094 654 F HN -0.044 nan 8.300 nan 0.000 0.553 655 E N 0.818 121.141 120.200 0.206 0.000 2.373 655 E HA 0.413 4.763 4.350 0.001 0.000 0.267 655 E C 0.858 177.537 176.600 0.131 0.000 1.032 655 E CA 0.204 56.729 56.400 0.209 0.000 0.889 655 E CB 0.852 30.618 29.700 0.110 0.000 0.984 655 E HN 0.351 nan 8.360 nan 0.000 0.425 656 G N 3.251 112.108 108.800 0.095 0.000 2.766 656 G HA2 0.420 4.381 3.960 0.001 0.000 0.206 656 G HA3 0.420 4.381 3.960 0.001 0.000 0.206 656 G C -0.024 174.887 174.900 0.020 0.000 2.072 656 G CA 0.302 45.434 45.100 0.054 0.000 0.798 656 G HN 0.734 nan 8.290 nan 0.000 0.703 657 A N -0.485 122.332 122.820 -0.005 0.000 2.327 657 A HA 0.522 4.842 4.320 0.001 0.000 0.255 657 A C 0.160 177.687 177.584 -0.093 0.000 1.099 657 A CA -0.417 51.599 52.037 -0.035 0.000 0.801 657 A CB 0.085 19.062 19.000 -0.038 0.000 1.062 657 A HN 0.924 nan 8.150 nan 0.000 0.496 658 L N 1.179 122.312 121.223 -0.151 0.000 2.628 658 L HA 0.368 4.709 4.340 0.001 0.000 0.274 658 L C 1.376 178.002 176.870 -0.408 0.000 1.209 658 L CA 2.005 56.692 54.840 -0.255 0.000 0.930 658 L CB -0.499 41.325 42.059 -0.391 0.000 1.183 658 L HN 1.610 nan 8.230 nan 0.000 0.492 659 G N 2.903 111.329 108.800 -0.623 0.000 2.166 659 G HA2 -0.307 3.654 3.960 0.001 0.000 0.260 659 G HA3 -0.307 3.654 3.960 0.001 0.000 0.260 659 G C 0.403 175.020 174.900 -0.472 0.000 0.986 659 G CA 0.799 45.202 45.100 -1.161 0.000 0.683 659 G HN 0.649 nan 8.290 nan 0.000 0.527 660 K N -0.228 120.031 120.400 -0.234 0.000 2.340 660 K HA 0.531 4.851 4.320 0.001 0.000 0.244 660 K C 0.299 176.887 176.600 -0.020 0.000 0.973 660 K CA -1.039 55.182 56.287 -0.110 0.000 0.828 660 K CB 1.787 34.236 32.500 -0.085 0.000 1.226 660 K HN 0.085 nan 8.250 nan 0.000 0.437 661 K N 1.290 121.678 120.400 -0.020 0.000 2.120 661 K HA 0.159 4.480 4.320 0.001 0.000 0.245 661 K C 0.877 177.489 176.600 0.020 0.000 1.024 661 K CA -0.554 55.744 56.287 0.017 0.000 0.906 661 K CB 0.495 32.950 32.500 -0.074 0.000 1.051 661 K HN 0.348 nan 8.250 nan 0.000 0.491 662 K N 1.465 121.891 120.400 0.044 0.000 2.211 662 K HA -0.161 4.160 4.320 0.001 0.000 0.204 662 K C 1.142 177.748 176.600 0.011 0.000 1.047 662 K CA 1.645 57.954 56.287 0.036 0.000 0.935 662 K CB -0.226 32.304 32.500 0.050 0.000 0.728 662 K HN 0.660 nan 8.250 nan 0.000 0.452 663 D N -1.119 119.277 120.400 -0.006 0.000 2.349 663 D HA 0.009 4.650 4.640 0.001 0.000 0.224 663 D C 1.131 177.422 176.300 -0.015 0.000 1.029 663 D CA 0.861 54.853 54.000 -0.013 0.000 0.879 663 D CB 0.069 40.855 40.800 -0.024 0.000 0.906 663 D HN 0.238 nan 8.370 nan 0.000 0.528 664 G N -0.002 108.788 108.800 -0.017 0.000 2.194 664 G HA2 -0.277 3.684 3.960 0.001 0.000 0.236 664 G HA3 -0.277 3.684 3.960 0.001 0.000 0.236 664 G C 0.440 175.323 174.900 -0.028 0.000 0.987 664 G CA 0.314 45.402 45.100 -0.019 0.000 0.635 664 G HN 0.776 nan 8.290 nan 0.000 0.520 665 S N 0.065 115.742 115.700 -0.038 0.000 2.600 665 S HA 0.601 5.072 4.470 0.001 0.000 0.265 665 S C 0.361 174.927 174.600 -0.057 0.000 1.325 665 S CA 0.513 58.685 58.200 -0.046 0.000 1.002 665 S CB 1.429 64.593 63.200 -0.060 0.000 0.921 665 S HN 0.557 nan 8.310 nan 0.000 0.554 666 T N 1.906 116.430 114.554 -0.051 0.000 2.869 666 T HA 0.308 4.659 4.350 0.001 0.000 0.295 666 T C 0.382 175.036 174.700 -0.077 0.000 0.987 666 T CA -0.333 61.737 62.100 -0.050 0.000 1.109 666 T CB -0.049 68.815 68.868 -0.007 0.000 0.932 666 T HN 0.497 nan 8.240 nan 0.000 0.518 667 I N 2.913 123.423 120.570 -0.101 0.000 2.517 667 I HA 0.028 4.199 4.170 0.001 0.000 0.285 667 I C 1.166 177.224 176.117 -0.098 0.000 1.106 667 I CA -0.115 61.098 61.300 -0.146 0.000 1.402 667 I CB 0.703 38.575 38.000 -0.215 0.000 1.399 667 I HN 0.574 nan 8.210 nan 0.000 0.535 668 S N 5.366 120.987 115.700 -0.131 0.000 2.546 668 S HA 0.196 4.667 4.470 0.001 0.000 0.290 668 S C 1.191 175.763 174.600 -0.046 0.000 1.262 668 S CA 0.553 58.708 58.200 -0.074 0.000 1.083 668 S CB 0.008 63.154 63.200 -0.090 0.000 0.859 668 S HN 1.081 nan 8.310 nan 0.000 0.495 669 G N 3.568 112.380 108.800 0.021 0.000 2.179 669 G HA2 -0.308 3.653 3.960 0.001 0.000 0.260 669 G HA3 -0.308 3.653 3.960 0.001 0.000 0.260 669 G C -0.009 174.923 174.900 0.054 0.000 0.977 669 G CA 0.385 45.516 45.100 0.052 0.000 0.641 669 G HN 1.042 nan 8.290 nan 0.000 0.533 670 Y N 1.783 122.050 120.300 -0.054 0.000 2.511 670 Y HA 0.422 4.973 4.550 0.001 0.000 0.332 670 Y C 0.845 176.766 175.900 0.034 0.000 1.177 670 Y CA 0.373 58.474 58.100 0.002 0.000 1.422 670 Y CB 0.634 39.097 38.460 0.005 0.000 1.271 670 Y HN 0.338 nan 8.280 nan 0.000 0.550 671 Q N 5.696 125.120 119.800 -0.627 0.000 2.307 671 Q HA 0.280 4.621 4.340 0.001 0.000 0.261 671 Q C 0.641 176.435 176.000 -0.344 0.000 1.051 671 Q CA 0.192 55.786 55.803 -0.348 0.000 0.911 671 Q CB 0.996 29.630 28.738 -0.173 0.000 1.227 671 Q HN 1.012 nan 8.270 nan 0.000 0.418 672 A N 4.072 126.868 122.820 -0.040 0.000 1.972 672 A HA -0.189 4.131 4.320 0.001 0.000 0.219 672 A C 1.277 178.934 177.584 0.122 0.000 1.169 672 A CA 1.698 53.805 52.037 0.116 0.000 0.635 672 A CB -0.260 18.808 19.000 0.113 0.000 0.810 672 A HN 0.954 nan 8.150 nan 0.000 0.446 673 D N -1.490 118.950 120.400 0.067 0.000 2.378 673 D HA -0.076 4.564 4.640 0.001 0.000 0.227 673 D C 0.281 176.647 176.300 0.111 0.000 1.012 673 D CA 0.686 54.738 54.000 0.087 0.000 0.905 673 D CB -0.545 40.295 40.800 0.066 0.000 0.895 673 D HN 0.347 nan 8.370 nan 0.000 0.532 674 N N -0.630 118.124 118.700 0.090 0.000 2.965 674 N HA -0.157 4.584 4.740 0.001 0.000 0.232 674 N C -0.259 175.326 175.510 0.125 0.000 0.913 674 N CA 0.895 54.036 53.050 0.150 0.000 0.981 674 N CB -1.239 37.404 38.487 0.261 0.000 1.077 674 N HN 0.384 nan 8.380 nan 0.000 0.589 675 Q N 0.474 120.316 119.800 0.070 0.000 2.237 675 Q HA 0.102 4.443 4.340 0.001 0.000 0.252 675 Q C 0.039 176.066 176.000 0.046 0.000 0.877 675 Q CA -0.203 55.634 55.803 0.056 0.000 1.011 675 Q CB -0.390 28.358 28.738 0.016 0.000 1.118 675 Q HN 0.491 nan 8.270 nan 0.000 0.458 676 H N 1.944 120.998 119.070 -0.028 0.000 3.094 676 H HA -0.060 4.497 4.556 0.001 0.000 0.320 676 H C 1.584 176.926 175.328 0.024 0.000 1.000 676 H CA 0.769 56.821 56.048 0.007 0.000 1.413 676 H CB 0.745 30.516 29.762 0.014 0.000 1.405 676 H HN 0.217 nan 8.280 nan 0.000 0.586 677 R N 3.682 123.869 120.500 -0.521 0.000 2.091 677 R HA -0.091 4.249 4.340 0.001 0.000 0.238 677 R C 0.167 176.223 176.300 -0.408 0.000 1.136 677 R CA 1.050 56.808 56.100 -0.570 0.000 0.959 677 R CB -0.484 29.405 30.300 -0.684 0.000 0.856 677 R HN 0.566 nan 8.270 nan 0.000 0.437 678 H N 0.795 119.741 119.070 -0.208 0.000 2.615 678 H HA 0.185 4.742 4.556 0.001 0.000 0.363 678 H C 0.158 175.641 175.328 0.258 0.000 1.148 678 H CA 0.302 56.511 56.048 0.269 0.000 1.401 678 H CB 1.090 31.042 29.762 0.317 0.000 1.461 678 H HN 0.159 nan 8.280 nan 0.000 0.588 679 M N 2.162 122.008 119.600 0.411 0.000 2.952 679 M HA 0.102 4.582 4.480 0.001 0.000 0.259 679 M C 0.741 177.214 176.300 0.288 0.000 1.306 679 M CA -0.158 55.335 55.300 0.322 0.000 0.626 679 M CB 0.822 33.518 32.600 0.160 0.000 1.423 679 M HN 0.393 nan 8.290 nan 0.000 0.459 680 S N -0.012 115.880 115.700 0.320 0.000 2.447 680 S HA -0.104 4.366 4.470 0.001 0.000 0.233 680 S C 1.670 176.363 174.600 0.155 0.000 1.006 680 S CA 1.089 59.398 58.200 0.182 0.000 0.957 680 S CB -0.345 62.793 63.200 -0.103 0.000 0.773 680 S HN 0.665 nan 8.310 nan 0.000 0.507 681 H N 0.277 119.281 119.070 -0.108 0.000 2.539 681 H HA 0.262 4.818 4.556 0.001 0.000 0.267 681 H C 1.008 176.246 175.328 -0.150 0.000 0.982 681 H CA 0.156 56.094 56.048 -0.184 0.000 1.146 681 H CB -0.436 29.147 29.762 -0.298 0.000 1.382 681 H HN 0.356 nan 8.280 nan 0.000 0.577 682 L N 1.086 122.108 121.223 -0.335 0.000 2.910 682 L HA 0.213 4.553 4.340 0.001 0.000 0.252 682 L C 1.550 178.315 176.870 -0.176 0.000 1.195 682 L CA -0.088 54.562 54.840 -0.318 0.000 1.003 682 L CB 0.232 42.075 42.059 -0.360 0.000 1.328 682 L HN 0.095 nan 8.230 nan 0.000 0.540 683 L N -0.009 121.107 121.223 -0.178 0.000 2.265 683 L HA -0.059 4.281 4.340 0.001 0.000 0.215 683 L C 2.495 179.231 176.870 -0.224 0.000 1.117 683 L CA 1.187 55.891 54.840 -0.227 0.000 0.782 683 L CB -0.741 41.046 42.059 -0.454 0.000 0.914 683 L HN 0.385 nan 8.230 nan 0.000 0.441 684 G N 0.330 109.000 108.800 -0.217 0.000 2.443 684 G HA2 -0.215 3.745 3.960 0.001 0.000 0.219 684 G HA3 -0.215 3.745 3.960 0.001 0.000 0.219 684 G C 1.558 176.363 174.900 -0.159 0.000 1.131 684 G CA 0.427 45.401 45.100 -0.210 0.000 0.775 684 G HN 0.248 nan 8.290 nan 0.000 0.547 685 L N -1.516 119.629 121.223 -0.131 0.000 2.127 685 L HA 0.509 4.850 4.340 0.001 0.000 0.203 685 L C 0.128 177.005 176.870 0.012 0.000 1.080 685 L CA 0.810 55.607 54.840 -0.071 0.000 0.768 685 L CB 0.043 42.046 42.059 -0.093 0.000 0.924 685 L HN 0.096 nan 8.230 nan 0.000 0.444 686 F N -0.043 119.818 119.950 -0.148 0.000 2.588 686 F HA 0.467 4.995 4.527 0.001 0.000 0.314 686 F C -2.235 173.474 175.800 -0.153 0.000 1.134 686 F CA -1.659 56.241 58.000 -0.167 0.000 0.961 686 F CB 1.542 40.421 39.000 -0.202 0.000 1.239 686 F HN -0.183 nan 8.300 nan 0.000 0.448 687 P HA 0.184 nan 4.420 nan 0.000 0.249 687 P C 0.544 177.509 177.300 -0.558 0.000 1.229 687 P CA 0.403 62.596 63.100 -1.513 0.000 0.788 687 P CB 0.320 31.389 31.700 -1.051 0.000 1.072 688 G N 0.485 109.103 108.800 -0.302 0.000 2.535 688 G HA2 0.168 4.128 3.960 0.001 0.000 0.282 688 G HA3 0.168 4.128 3.960 0.001 0.000 0.282 688 G C -0.003 174.864 174.900 -0.054 0.000 1.350 688 G CA -0.233 44.796 45.100 -0.118 0.000 1.039 688 G HN -0.066 nan 8.290 nan 0.000 0.509 689 D N -0.656 119.774 120.400 0.049 0.000 2.513 689 D HA 0.048 4.688 4.640 0.001 0.000 0.222 689 D C 1.896 178.234 176.300 0.063 0.000 1.210 689 D CA -0.409 53.642 54.000 0.085 0.000 0.825 689 D CB 0.892 41.787 40.800 0.158 0.000 1.037 689 D HN 0.132 nan 8.370 nan 0.000 0.506 690 L N 0.427 121.584 121.223 -0.111 0.000 2.093 690 L HA 0.144 4.485 4.340 0.001 0.000 0.208 690 L C 0.374 177.101 176.870 -0.238 0.000 1.085 690 L CA 1.485 56.055 54.840 -0.451 0.000 0.755 690 L CB 0.117 41.746 42.059 -0.717 0.000 0.904 690 L HN -0.098 nan 8.230 nan 0.000 0.435 691 I N 0.095 120.583 120.570 -0.136 0.000 2.439 691 I HA 0.334 4.504 4.170 0.001 0.000 0.285 691 I C -0.448 175.649 176.117 -0.033 0.000 1.021 691 I CA -0.326 60.933 61.300 -0.067 0.000 1.091 691 I CB 1.412 39.369 38.000 -0.071 0.000 1.242 691 I HN 0.116 nan 8.210 nan 0.000 0.439 692 T N 1.897 116.447 114.554 -0.007 0.000 2.841 692 T HA 0.461 4.812 4.350 0.001 0.000 0.296 692 T C 1.008 175.725 174.700 0.028 0.000 1.166 692 T CA -0.832 61.280 62.100 0.021 0.000 1.007 692 T CB 1.553 70.452 68.868 0.051 0.000 1.253 692 T HN 0.523 nan 8.240 nan 0.000 0.511 693 I N -1.240 119.362 120.570 0.053 0.000 2.567 693 I HA -0.012 4.159 4.170 0.001 0.000 0.257 693 I C 1.240 177.387 176.117 0.050 0.000 1.184 693 I CA 1.220 62.553 61.300 0.056 0.000 1.451 693 I CB -0.433 37.618 38.000 0.086 0.000 1.089 693 I HN 0.506 nan 8.210 nan 0.000 0.441 694 D N 1.057 121.502 120.400 0.074 0.000 2.269 694 D HA 0.005 4.646 4.640 0.001 0.000 0.220 694 D C 0.556 176.847 176.300 -0.015 0.000 0.962 694 D CA 0.715 54.730 54.000 0.025 0.000 0.884 694 D CB -0.050 40.805 40.800 0.091 0.000 1.023 694 D HN 0.455 nan 8.370 nan 0.000 0.484 695 N N 1.506 120.212 118.700 0.010 0.000 2.949 695 N HA 0.071 4.811 4.740 0.001 0.000 0.243 695 N C 0.131 175.621 175.510 -0.033 0.000 1.113 695 N CA 0.031 53.072 53.050 -0.015 0.000 0.980 695 N CB 0.994 39.489 38.487 0.013 0.000 1.256 695 N HN -0.006 nan 8.380 nan 0.000 0.508 696 S N -0.586 115.079 115.700 -0.058 0.000 2.574 696 S HA 0.045 4.515 4.470 0.001 0.000 0.242 696 S C 1.217 175.744 174.600 -0.121 0.000 0.982 696 S CA -0.490 57.672 58.200 -0.063 0.000 0.977 696 S CB 0.422 63.595 63.200 -0.045 0.000 0.814 696 S HN 0.476 nan 8.310 nan 0.000 0.464 697 E N 0.987 121.062 120.200 -0.209 0.000 2.114 697 E HA -0.236 4.114 4.350 0.001 0.000 0.199 697 E C 0.231 176.534 176.600 -0.495 0.000 1.008 697 E CA 1.558 57.708 56.400 -0.416 0.000 0.810 697 E CB -0.121 29.193 29.700 -0.643 0.000 0.739 697 E HN 0.817 nan 8.360 nan 0.000 0.456 698 Y N -1.193 119.063 120.300 -0.072 0.000 2.555 698 Y HA 0.168 4.719 4.550 0.000 0.000 0.259 698 Y C 1.385 177.235 175.900 -0.083 0.000 1.179 698 Y CA -0.171 57.882 58.100 -0.077 0.000 1.230 698 Y CB 0.213 38.613 38.460 -0.099 0.000 1.146 698 Y HN 0.121 nan 8.280 nan 0.000 0.526 699 M N 0.672 120.279 119.600 0.012 0.000 2.117 699 M HA -0.179 4.301 4.480 0.001 0.000 0.262 699 M C 1.368 177.652 176.300 -0.027 0.000 1.065 699 M CA 1.871 57.160 55.300 -0.020 0.000 1.114 699 M CB -0.279 32.304 32.600 -0.030 0.000 1.361 699 M HN 0.081 nan 8.290 nan 0.000 0.408 700 D N 0.018 120.409 120.400 -0.016 0.000 2.117 700 D HA -0.095 4.546 4.640 0.001 0.000 0.197 700 D C 1.961 178.262 176.300 0.001 0.000 0.987 700 D CA 1.795 55.789 54.000 -0.011 0.000 0.829 700 D CB -0.451 40.345 40.800 -0.007 0.000 0.961 700 D HN 0.493 nan 8.370 nan 0.000 0.460 701 A N 1.023 123.863 122.820 0.035 0.000 1.930 701 A HA 0.007 4.327 4.320 0.001 0.000 0.217 701 A C 2.314 179.899 177.584 0.000 0.000 1.175 701 A CA 2.026 54.093 52.037 0.051 0.000 0.627 701 A CB -0.616 18.447 19.000 0.104 0.000 0.815 701 A HN 0.231 nan 8.150 nan 0.000 0.443 702 A N -0.025 122.770 122.820 -0.042 0.000 1.902 702 A HA -0.158 4.162 4.320 0.001 0.000 0.217 702 A C 2.105 179.572 177.584 -0.196 0.000 1.181 702 A CA 1.813 53.772 52.037 -0.130 0.000 0.623 702 A CB -0.422 18.491 19.000 -0.146 0.000 0.818 702 A HN 0.538 nan 8.150 nan 0.000 0.443 703 K N -0.863 119.424 120.400 -0.188 0.000 2.057 703 K HA -0.093 4.227 4.320 0.001 0.000 0.207 703 K C 2.115 178.633 176.600 -0.135 0.000 1.049 703 K CA 1.712 57.846 56.287 -0.255 0.000 0.931 703 K CB -0.420 31.997 32.500 -0.139 0.000 0.714 703 K HN 0.470 nan 8.250 nan 0.000 0.440 704 T N 0.776 115.298 114.554 -0.053 0.000 2.684 704 T HA -0.144 4.206 4.350 0.001 0.000 0.267 704 T C 2.093 176.835 174.700 0.071 0.000 1.036 704 T CA 1.678 63.768 62.100 -0.017 0.000 1.148 704 T CB -0.238 68.666 68.868 0.060 0.000 0.863 704 T HN 0.146 nan 8.240 nan 0.000 0.436 705 S N 1.194 116.960 115.700 0.109 0.000 2.359 705 S HA -0.004 4.466 4.470 0.001 0.000 0.224 705 S C 2.054 176.737 174.600 0.139 0.000 1.035 705 S CA 0.939 59.254 58.200 0.192 0.000 1.018 705 S CB -0.531 62.708 63.200 0.065 0.000 0.876 705 S HN 0.337 nan 8.310 nan 0.000 0.448 706 L N 0.850 122.038 121.223 -0.058 0.000 2.042 706 L HA -0.151 4.190 4.340 0.001 0.000 0.210 706 L C 2.782 179.802 176.870 0.250 0.000 1.076 706 L CA 1.349 56.133 54.840 -0.094 0.000 0.749 706 L CB -0.430 41.206 42.059 -0.707 0.000 0.893 706 L HN 0.245 nan 8.230 nan 0.000 0.432 707 R N -1.140 119.524 120.500 0.273 0.000 2.083 707 R HA -0.203 4.137 4.340 0.001 0.000 0.237 707 R C 2.323 178.825 176.300 0.338 0.000 1.137 707 R CA 1.727 58.085 56.100 0.430 0.000 0.951 707 R CB -0.489 29.858 30.300 0.078 0.000 0.851 707 R HN 0.252 nan 8.270 nan 0.000 0.434 708 Y N 0.334 120.797 120.300 0.272 0.000 2.224 708 Y HA -0.137 4.413 4.550 0.001 0.000 0.289 708 Y C 2.373 178.408 175.900 0.226 0.000 1.146 708 Y CA 1.099 59.342 58.100 0.238 0.000 1.182 708 Y CB -0.082 38.502 38.460 0.206 0.000 0.983 708 Y HN -0.110 nan 8.280 nan 0.000 0.524 709 R N -1.512 119.208 120.500 0.366 0.000 2.276 709 R HA 0.003 4.343 4.340 0.001 0.000 0.203 709 R C 1.311 177.704 176.300 0.155 0.000 1.017 709 R CA 0.821 57.068 56.100 0.245 0.000 1.010 709 R CB -0.626 29.800 30.300 0.211 0.000 0.900 709 R HN 0.360 nan 8.270 nan 0.000 0.469 710 C N -1.668 117.743 119.300 0.184 0.000 3.449 710 C HA 0.390 4.851 4.460 0.001 0.000 0.404 710 C C 0.163 174.965 174.990 -0.314 0.000 1.383 710 C CA -0.481 58.498 59.018 -0.064 0.000 1.936 710 C CB -0.039 27.657 27.740 -0.074 0.000 2.738 710 C HN 0.032 nan 8.230 nan 0.000 0.663 711 F N 1.179 121.191 119.950 0.105 0.000 2.532 711 F HA 0.437 4.965 4.527 0.001 0.000 0.321 711 F C 0.129 175.983 175.800 0.090 0.000 1.089 711 F CA -0.646 57.391 58.000 0.062 0.000 0.926 711 F CB 1.080 40.099 39.000 0.032 0.000 1.168 711 F HN -0.291 nan 8.300 nan 0.000 0.459 712 K N 2.247 122.795 120.400 0.246 0.000 2.334 712 K HA 0.515 4.836 4.320 0.001 0.000 0.265 712 K C 0.614 177.325 176.600 0.184 0.000 1.039 712 K CA -0.071 56.333 56.287 0.195 0.000 0.920 712 K CB 1.232 33.809 32.500 0.129 0.000 1.160 712 K HN 0.870 nan 8.250 nan 0.000 0.451 713 G N 3.541 112.441 108.800 0.167 0.000 2.602 713 G HA2 -0.373 3.588 3.960 0.001 0.000 0.310 713 G HA3 -0.373 3.588 3.960 0.001 0.000 0.310 713 G C 0.528 175.468 174.900 0.067 0.000 1.183 713 G CA 0.256 45.415 45.100 0.098 0.000 0.979 713 G HN 0.619 nan 8.290 nan 0.000 0.545 714 N N 0.441 119.173 118.700 0.054 0.000 2.230 714 N HA 0.300 5.040 4.740 0.001 0.000 0.202 714 N C 0.083 175.711 175.510 0.196 0.000 1.119 714 N CA 0.596 53.647 53.050 0.001 0.000 0.851 714 N CB 0.858 39.321 38.487 -0.039 0.000 0.990 714 N HN 0.395 nan 8.380 nan 0.000 0.497 715 V N 2.090 122.165 119.914 0.268 0.000 2.370 715 V HA 0.247 4.367 4.120 0.001 0.000 0.279 715 V C 0.079 176.292 176.094 0.199 0.000 1.029 715 V CA -1.002 61.422 62.300 0.208 0.000 0.870 715 V CB 1.668 33.551 31.823 0.101 0.000 0.984 715 V HN 0.030 nan 8.190 nan 0.000 0.451 716 L N 6.000 127.242 121.223 0.031 0.000 2.410 716 L HA 0.313 4.654 4.340 0.001 0.000 0.273 716 L C 0.253 176.972 176.870 -0.252 0.000 1.144 716 L CA 0.650 55.250 54.840 -0.400 0.000 0.863 716 L CB 0.619 42.429 42.059 -0.415 0.000 1.140 716 L HN 0.606 nan 8.230 nan 0.000 0.463 717 Q N 3.175 122.803 119.800 -0.287 0.000 2.222 717 Q HA 0.321 4.662 4.340 0.001 0.000 0.252 717 Q C -0.107 175.779 176.000 -0.190 0.000 0.926 717 Q CA -0.303 55.399 55.803 -0.168 0.000 0.899 717 Q CB 1.635 30.306 28.738 -0.112 0.000 1.250 717 Q HN 0.769 nan 8.270 nan 0.000 0.441 718 S N 1.362 116.974 115.700 -0.147 0.000 2.634 718 S HA 0.393 4.864 4.470 0.001 0.000 0.261 718 S C -0.109 174.380 174.600 -0.186 0.000 1.271 718 S CA -0.171 57.931 58.200 -0.164 0.000 0.985 718 S CB 0.539 63.662 63.200 -0.129 0.000 0.968 718 S HN 0.667 nan 8.310 nan 0.000 0.568 719 N N -1.273 117.284 118.700 -0.238 0.000 3.387 719 N HA 0.207 4.948 4.740 0.001 0.000 0.294 719 N C -1.425 173.845 175.510 -0.399 0.000 1.519 719 N CA -0.133 52.732 53.050 -0.308 0.000 0.875 719 N CB 1.029 39.308 38.487 -0.347 0.000 1.657 719 N HN 0.755 nan 8.380 nan 0.000 0.527 720 T N -1.613 112.595 114.554 -0.576 0.000 2.856 720 T HA 0.274 4.624 4.350 0.001 0.000 0.306 720 T C 1.518 175.853 174.700 -0.608 0.000 1.062 720 T CA 0.476 62.167 62.100 -0.680 0.000 1.083 720 T CB 0.455 68.680 68.868 -1.072 0.000 0.984 720 T HN 0.537 nan 8.240 nan 0.000 0.542 721 G N 1.023 109.555 108.800 -0.447 0.000 2.446 721 G HA2 -0.197 3.763 3.960 0.001 0.000 0.217 721 G HA3 -0.197 3.763 3.960 0.001 0.000 0.217 721 G C 1.381 176.161 174.900 -0.200 0.000 1.168 721 G CA 0.843 45.751 45.100 -0.320 0.000 0.771 721 G HN 1.002 nan 8.290 nan 0.000 0.551 722 W N 1.111 122.312 121.300 -0.165 0.000 2.388 722 W HA 0.192 4.852 4.660 0.001 0.000 0.294 722 W C 2.184 178.648 176.519 -0.092 0.000 1.212 722 W CA 1.029 58.298 57.345 -0.126 0.000 1.271 722 W CB -0.880 28.483 29.460 -0.160 0.000 1.126 722 W HN 0.305 nan 8.180 nan 0.000 0.535 723 A N 1.937 124.179 122.820 -0.963 0.000 1.898 723 A HA -0.100 4.221 4.320 0.001 0.000 0.216 723 A C 2.155 179.539 177.584 -0.333 0.000 1.181 723 A CA 1.956 53.439 52.037 -0.923 0.000 0.620 723 A CB -0.983 17.235 19.000 -1.302 0.000 0.819 723 A HN 0.346 nan 8.150 nan 0.000 0.442 724 I N -0.216 120.171 120.570 -0.305 0.000 2.226 724 I HA -0.219 3.952 4.170 0.001 0.000 0.245 724 I C 2.719 178.811 176.117 -0.041 0.000 1.100 724 I CA 1.143 62.344 61.300 -0.166 0.000 1.374 724 I CB -0.798 37.084 38.000 -0.197 0.000 1.057 724 I HN 0.395 nan 8.210 nan 0.000 0.413 725 G N 0.031 108.839 108.800 0.013 0.000 2.446 725 G HA2 -0.330 3.631 3.960 0.001 0.000 0.217 725 G HA3 -0.330 3.631 3.960 0.001 0.000 0.217 725 G C 1.585 176.625 174.900 0.233 0.000 1.168 725 G CA 0.808 45.991 45.100 0.138 0.000 0.771 725 G HN 0.420 nan 8.290 nan 0.000 0.551 726 Q N -0.146 119.853 119.800 0.333 0.000 2.119 726 Q HA -0.056 4.285 4.340 0.001 0.000 0.201 726 Q C 2.737 178.812 176.000 0.126 0.000 0.972 726 Q CA 0.942 56.980 55.803 0.393 0.000 0.847 726 Q CB -0.042 29.035 28.738 0.565 0.000 0.903 726 Q HN 0.454 nan 8.270 nan 0.000 0.433 727 R N -0.114 120.448 120.500 0.104 0.000 2.092 727 R HA -0.075 4.266 4.340 0.001 0.000 0.231 727 R C 2.268 178.672 176.300 0.174 0.000 1.119 727 R CA 1.339 57.519 56.100 0.133 0.000 0.970 727 R CB -0.216 30.171 30.300 0.146 0.000 0.864 727 R HN 0.319 nan 8.270 nan 0.000 0.440 728 I N 1.112 121.731 120.570 0.082 0.000 2.127 728 I HA -0.342 3.829 4.170 0.001 0.000 0.241 728 I C 1.990 178.088 176.117 -0.032 0.000 1.075 728 I CA 1.357 62.690 61.300 0.055 0.000 1.334 728 I CB -0.396 37.628 38.000 0.040 0.000 1.040 728 I HN 0.245 nan 8.210 nan 0.000 0.405 729 N N 0.398 118.958 118.700 -0.234 0.000 2.120 729 N HA -0.138 4.603 4.740 0.001 0.000 0.188 729 N C 2.022 177.171 175.510 -0.602 0.000 1.024 729 N CA 1.767 54.403 53.050 -0.689 0.000 0.852 729 N CB -0.143 37.351 38.487 -1.655 0.000 1.003 729 N HN 0.293 nan 8.380 nan 0.000 0.424 730 S N 0.379 115.848 115.700 -0.385 0.000 2.356 730 S HA -0.125 4.346 4.470 0.001 0.000 0.223 730 S C 1.664 176.175 174.600 -0.149 0.000 1.032 730 S CA 0.910 58.995 58.200 -0.192 0.000 1.005 730 S CB -0.554 62.549 63.200 -0.163 0.000 0.867 730 S HN 0.464 nan 8.310 nan 0.000 0.449 731 W N 1.836 123.089 121.300 -0.078 0.000 2.342 731 W HA -0.089 4.572 4.660 0.001 0.000 0.297 731 W C 2.762 179.252 176.519 -0.048 0.000 1.213 731 W CA 0.798 58.118 57.345 -0.042 0.000 1.251 731 W CB -0.507 28.936 29.460 -0.028 0.000 1.136 731 W HN 0.312 nan 8.180 nan 0.000 0.526 732 A N 0.263 123.163 122.820 0.134 0.000 1.902 732 A HA -0.187 4.134 4.320 0.001 0.000 0.217 732 A C 2.009 179.626 177.584 0.055 0.000 1.181 732 A CA 1.328 53.406 52.037 0.069 0.000 0.623 732 A CB -0.569 18.441 19.000 0.016 0.000 0.818 732 A HN 0.131 nan 8.150 nan 0.000 0.443 733 R N -0.135 120.385 120.500 0.034 0.000 2.237 733 R HA -0.079 4.261 4.340 0.001 0.000 0.219 733 R C 2.095 178.415 176.300 0.033 0.000 1.080 733 R CA 1.620 57.751 56.100 0.052 0.000 0.995 733 R CB -1.086 29.267 30.300 0.088 0.000 0.875 733 R HN 0.787 nan 8.270 nan 0.000 0.462 734 T N -3.558 111.013 114.554 0.028 0.000 3.088 734 T HA 0.104 4.455 4.350 0.001 0.000 0.259 734 T C 1.452 176.191 174.700 0.065 0.000 1.122 734 T CA 0.915 63.031 62.100 0.026 0.000 1.095 734 T CB 0.302 69.173 68.868 0.006 0.000 0.930 734 T HN 0.365 nan 8.240 nan 0.000 0.508 735 G N 1.323 110.167 108.800 0.073 0.000 2.176 735 G HA2 -0.244 3.717 3.960 0.001 0.000 0.253 735 G HA3 -0.244 3.717 3.960 0.001 0.000 0.253 735 G C -0.042 174.898 174.900 0.067 0.000 0.979 735 G CA 0.126 45.262 45.100 0.060 0.000 0.641 735 G HN 0.676 nan 8.290 nan 0.000 0.530 736 D N 1.243 121.720 120.400 0.129 0.000 2.470 736 D HA 0.461 5.102 4.640 0.001 0.000 0.226 736 D C 1.714 178.047 176.300 0.054 0.000 1.196 736 D CA 0.585 54.657 54.000 0.119 0.000 0.979 736 D CB 0.057 41.005 40.800 0.246 0.000 1.059 736 D HN 0.222 nan 8.370 nan 0.000 0.515 737 G N 3.582 112.373 108.800 -0.016 0.000 2.422 737 G HA2 -0.302 3.659 3.960 0.001 0.000 0.218 737 G HA3 -0.302 3.659 3.960 0.001 0.000 0.218 737 G C 1.550 176.383 174.900 -0.111 0.000 1.146 737 G CA 0.187 45.237 45.100 -0.083 0.000 0.769 737 G HN 0.388 nan 8.290 nan 0.000 0.547 738 N N 0.427 119.069 118.700 -0.096 0.000 2.106 738 N HA -0.075 4.665 4.740 0.001 0.000 0.188 738 N C 2.400 177.844 175.510 -0.110 0.000 1.029 738 N CA 1.667 54.663 53.050 -0.091 0.000 0.848 738 N CB -0.756 37.683 38.487 -0.080 0.000 1.007 738 N HN 0.231 nan 8.380 nan 0.000 0.423 739 T N 0.459 114.898 114.554 -0.191 0.000 2.777 739 T HA -0.063 4.287 4.350 0.001 0.000 0.266 739 T C 1.885 176.365 174.700 -0.366 0.000 1.040 739 T CA 1.537 63.407 62.100 -0.383 0.000 1.141 739 T CB -0.588 67.796 68.868 -0.807 0.000 0.868 739 T HN 0.289 nan 8.240 nan 0.000 0.444 740 T N 1.341 115.784 114.554 -0.184 0.000 2.653 740 T HA -0.199 4.151 4.350 0.001 0.000 0.268 740 T C 1.635 176.278 174.700 -0.095 0.000 1.035 740 T CA 1.652 63.708 62.100 -0.074 0.000 1.154 740 T CB -0.631 68.250 68.868 0.021 0.000 0.862 740 T HN 0.468 nan 8.240 nan 0.000 0.441 741 Y N 1.915 122.070 120.300 -0.243 0.000 2.224 741 Y HA -0.152 4.399 4.550 0.001 0.000 0.289 741 Y C 2.554 178.357 175.900 -0.162 0.000 1.146 741 Y CA 1.209 59.152 58.100 -0.261 0.000 1.182 741 Y CB -0.498 37.714 38.460 -0.412 0.000 0.983 741 Y HN 0.274 nan 8.280 nan 0.000 0.524 742 Q N -0.179 119.458 119.800 -0.272 0.000 2.135 742 Q HA -0.218 4.123 4.340 0.001 0.000 0.204 742 Q C 2.268 178.080 176.000 -0.314 0.000 0.981 742 Q CA 2.033 57.652 55.803 -0.306 0.000 0.856 742 Q CB -0.298 28.315 28.738 -0.209 0.000 0.902 742 Q HN 0.518 nan 8.270 nan 0.000 0.425 743 L N -0.356 120.700 121.223 -0.278 0.000 2.156 743 L HA -0.145 4.195 4.340 0.001 0.000 0.208 743 L C 2.312 179.076 176.870 -0.177 0.000 1.095 743 L CA 0.433 55.141 54.840 -0.219 0.000 0.770 743 L CB -0.293 41.670 42.059 -0.161 0.000 0.914 743 L HN 0.066 nan 8.230 nan 0.000 0.439 744 V N 0.004 119.810 119.914 -0.179 0.000 2.255 744 V HA -0.314 3.806 4.120 0.001 0.000 0.247 744 V C 2.390 178.395 176.094 -0.149 0.000 1.051 744 V CA 1.970 64.201 62.300 -0.115 0.000 1.018 744 V CB -0.498 31.311 31.823 -0.023 0.000 0.641 744 V HN 0.471 nan 8.190 nan 0.000 0.445 745 E N -0.292 119.738 120.200 -0.283 0.000 2.058 745 E HA -0.288 4.063 4.350 0.001 0.000 0.194 745 E C 2.161 178.745 176.600 -0.027 0.000 0.997 745 E CA 1.625 57.974 56.400 -0.086 0.000 0.801 745 E CB -0.306 29.241 29.700 -0.256 0.000 0.746 745 E HN 0.438 nan 8.360 nan 0.000 0.450 746 L N 1.379 122.524 121.223 -0.130 0.000 2.012 746 L HA -0.279 4.062 4.340 0.001 0.000 0.210 746 L C 2.546 179.335 176.870 -0.134 0.000 1.073 746 L CA 1.891 56.654 54.840 -0.129 0.000 0.748 746 L CB -0.352 41.599 42.059 -0.179 0.000 0.891 746 L HN 0.115 nan 8.230 nan 0.000 0.431 747 Q N -1.161 118.551 119.800 -0.146 0.000 2.061 747 Q HA -0.242 4.099 4.340 0.001 0.000 0.204 747 Q C 2.203 178.099 176.000 -0.174 0.000 0.984 747 Q CA 1.942 57.644 55.803 -0.170 0.000 0.846 747 Q CB -0.122 28.538 28.738 -0.129 0.000 0.902 747 Q HN 0.456 nan 8.270 nan 0.000 0.421 748 L N 0.693 121.828 121.223 -0.146 0.000 2.083 748 L HA -0.160 4.181 4.340 0.001 0.000 0.209 748 L C 2.156 178.952 176.870 -0.123 0.000 1.083 748 L CA 1.781 56.496 54.840 -0.208 0.000 0.752 748 L CB -0.340 41.444 42.059 -0.459 0.000 0.899 748 L HN 0.069 nan 8.230 nan 0.000 0.433 749 K N -0.925 119.468 120.400 -0.012 0.000 2.217 749 K HA -0.019 4.301 4.320 0.001 0.000 0.202 749 K C 1.165 177.755 176.600 -0.017 0.000 1.051 749 K CA 1.262 57.578 56.287 0.048 0.000 0.952 749 K CB 0.006 32.555 32.500 0.082 0.000 0.736 749 K HN 0.366 nan 8.250 nan 0.000 0.453 750 N N -1.717 116.918 118.700 -0.107 0.000 2.145 750 N HA 0.153 4.894 4.740 0.001 0.000 0.219 750 N C -0.155 175.111 175.510 -0.406 0.000 1.266 750 N CA 0.098 53.059 53.050 -0.148 0.000 0.902 750 N CB 1.760 40.161 38.487 -0.143 0.000 1.078 750 N HN 0.011 nan 8.380 nan 0.000 0.513 751 A N 0.083 122.558 122.820 -0.575 0.000 2.569 751 A HA 0.410 4.731 4.320 0.001 0.000 0.284 751 A C -0.594 176.442 177.584 -0.914 0.000 0.948 751 A CA -0.145 51.194 52.037 -1.164 0.000 1.007 751 A CB 0.333 18.902 19.000 -0.718 0.000 1.232 751 A HN -0.028 nan 8.150 nan 0.000 0.530 752 M N 0.600 119.948 119.600 -0.421 0.000 2.259 752 M HA 0.472 4.953 4.480 0.001 0.000 0.304 752 M C -1.199 175.173 176.300 0.119 0.000 1.019 752 M CA -0.652 54.576 55.300 -0.120 0.000 0.922 752 M CB 1.099 33.648 32.600 -0.084 0.000 1.600 752 M HN 0.240 nan 8.290 nan 0.000 0.433 753 Y N 0.585 121.032 120.300 0.246 0.000 2.260 753 Y HA 0.368 4.919 4.550 0.001 0.000 0.339 753 Y C 1.650 177.527 175.900 -0.038 0.000 1.317 753 Y CA -0.020 58.127 58.100 0.078 0.000 1.514 753 Y CB 0.232 38.679 38.460 -0.023 0.000 1.382 753 Y HN 0.826 nan 8.280 nan 0.000 0.581 754 A N 0.938 123.814 122.820 0.095 0.000 2.024 754 A HA -0.238 4.083 4.320 0.001 0.000 0.220 754 A C 1.512 179.066 177.584 -0.051 0.000 1.164 754 A CA 1.877 53.912 52.037 -0.003 0.000 0.643 754 A CB -0.972 17.987 19.000 -0.068 0.000 0.806 754 A HN 0.787 nan 8.150 nan 0.000 0.451 755 N N -0.302 118.270 118.700 -0.213 0.000 2.314 755 N HA 0.160 4.901 4.740 0.001 0.000 0.200 755 N C 0.460 175.776 175.510 -0.324 0.000 1.135 755 N CA 0.482 53.303 53.050 -0.381 0.000 0.835 755 N CB -0.403 37.642 38.487 -0.737 0.000 0.989 755 N HN 0.479 nan 8.380 nan 0.000 0.478 756 L N -1.942 119.209 121.223 -0.120 0.000 4.884 756 L HA -0.221 4.119 4.340 0.001 0.000 0.430 756 L C -0.665 176.365 176.870 0.266 0.000 1.087 756 L CA 0.330 55.166 54.840 -0.006 0.000 1.033 756 L CB -2.024 39.902 42.059 -0.222 0.000 2.030 756 L HN 0.035 nan 8.230 nan 0.000 0.762 757 F N 1.945 121.931 119.950 0.060 0.000 2.578 757 F HA 0.140 4.668 4.527 0.001 0.000 0.376 757 F C 1.288 177.110 175.800 0.037 0.000 1.085 757 F CA -0.495 57.491 58.000 -0.023 0.000 1.260 757 F CB 0.171 38.957 39.000 -0.356 0.000 1.095 757 F HN -0.011 nan 8.300 nan 0.000 0.573 758 D N 2.576 123.125 120.400 0.247 0.000 2.382 758 D HA 0.248 4.888 4.640 0.001 0.000 0.240 758 D C -0.910 175.444 176.300 0.090 0.000 1.146 758 D CA 0.450 54.474 54.000 0.040 0.000 0.897 758 D CB 0.414 41.211 40.800 -0.006 0.000 1.197 758 D HN 0.353 nan 8.370 nan 0.000 0.432 759 Y N -0.141 120.053 120.300 -0.176 0.000 2.588 759 Y HA 0.352 4.902 4.550 0.001 0.000 0.343 759 Y C 0.189 176.066 175.900 -0.037 0.000 1.065 759 Y CA -0.891 57.117 58.100 -0.154 0.000 1.038 759 Y CB 0.937 39.049 38.460 -0.581 0.000 1.297 759 Y HN 0.493 nan 8.280 nan 0.000 0.467 760 H N 1.832 121.055 119.070 0.254 0.000 2.370 760 H HA 0.407 4.964 4.556 0.001 0.000 0.304 760 H C 0.283 175.752 175.328 0.235 0.000 1.055 760 H CA 1.180 57.344 56.048 0.194 0.000 1.373 760 H CB 0.132 30.072 29.762 0.297 0.000 1.423 760 H HN 0.876 nan 8.280 nan 0.000 0.533 761 A N 2.383 125.514 122.820 0.519 0.000 2.287 761 A HA 0.398 4.718 4.320 0.001 0.000 0.273 761 A C -1.946 175.929 177.584 0.486 0.000 1.091 761 A CA -1.139 51.200 52.037 0.504 0.000 0.817 761 A CB 0.436 19.581 19.000 0.242 0.000 1.069 761 A HN 0.306 nan 8.150 nan 0.000 0.492 762 P HA 0.255 nan 4.420 nan 0.000 0.328 762 P C -0.102 177.403 177.300 0.342 0.000 1.305 762 P CA -0.612 62.625 63.100 0.230 0.000 0.745 762 P CB 0.172 31.869 31.700 -0.004 0.000 1.462 763 F N 1.008 121.063 119.950 0.174 0.000 2.612 763 F HA 0.071 4.598 4.527 0.001 0.000 0.389 763 F C -0.234 175.634 175.800 0.114 0.000 1.055 763 F CA 0.787 58.888 58.000 0.168 0.000 1.232 763 F CB -0.310 38.765 39.000 0.125 0.000 1.044 763 F HN 0.075 nan 8.300 nan 0.000 0.560 764 Q N 7.244 126.837 119.800 -0.345 0.000 2.284 764 Q HA 0.250 4.591 4.340 0.001 0.000 0.269 764 Q C 0.528 176.253 176.000 -0.457 0.000 1.026 764 Q CA -0.420 55.074 55.803 -0.515 0.000 0.831 764 Q CB 2.026 30.702 28.738 -0.103 0.000 1.322 764 Q HN 0.985 nan 8.270 nan 0.000 0.419 765 I N 1.404 121.635 120.570 -0.565 0.000 2.876 765 I HA -0.124 4.047 4.170 0.001 0.000 0.264 765 I C 1.757 177.703 176.117 -0.286 0.000 1.204 765 I CA 0.947 62.040 61.300 -0.345 0.000 1.485 765 I CB 0.333 38.166 38.000 -0.278 0.000 1.103 765 I HN 0.816 nan 8.210 nan 0.000 0.446 766 A N 0.779 123.510 122.820 -0.148 0.000 1.903 766 A HA -0.242 4.079 4.320 0.001 0.000 0.219 766 A C 2.330 179.910 177.584 -0.006 0.000 1.191 766 A CA 2.046 54.057 52.037 -0.044 0.000 0.638 766 A CB -1.617 17.295 19.000 -0.146 0.000 0.823 766 A HN 0.492 nan 8.150 nan 0.000 0.451 767 G N -0.506 108.300 108.800 0.010 0.000 2.432 767 G HA2 -0.270 3.691 3.960 0.001 0.000 0.219 767 G HA3 -0.270 3.691 3.960 0.001 0.000 0.219 767 G C 1.436 176.329 174.900 -0.011 0.000 1.135 767 G CA 0.956 46.076 45.100 0.034 0.000 0.767 767 G HN 0.584 nan 8.290 nan 0.000 0.550 768 N N 0.299 118.926 118.700 -0.121 0.000 2.120 768 N HA -0.095 4.645 4.740 0.001 0.000 0.188 768 N C 1.896 177.332 175.510 -0.122 0.000 1.024 768 N CA 1.094 54.041 53.050 -0.172 0.000 0.852 768 N CB -0.337 37.924 38.487 -0.378 0.000 1.003 768 N HN 0.294 nan 8.380 nan 0.000 0.424 769 F N 0.944 120.887 119.950 -0.011 0.000 2.186 769 F HA 0.064 4.592 4.527 0.001 0.000 0.299 769 F C 2.628 178.470 175.800 0.070 0.000 1.090 769 F CA 0.673 58.654 58.000 -0.032 0.000 1.307 769 F CB -1.185 37.732 39.000 -0.138 0.000 1.019 769 F HN 0.034 nan 8.300 nan 0.000 0.489 770 G N -0.336 108.624 108.800 0.267 0.000 2.422 770 G HA2 -0.283 3.677 3.960 0.001 0.000 0.218 770 G HA3 -0.283 3.677 3.960 0.001 0.000 0.218 770 G C 1.739 176.804 174.900 0.275 0.000 1.140 770 G CA 0.827 46.142 45.100 0.357 0.000 0.775 770 G HN 0.334 nan 8.290 nan 0.000 0.545 771 N N 0.650 119.462 118.700 0.188 0.000 2.058 771 N HA -0.137 4.604 4.740 0.001 0.000 0.191 771 N C 2.171 177.826 175.510 0.240 0.000 1.037 771 N CA 1.972 55.129 53.050 0.178 0.000 0.848 771 N CB -0.506 38.060 38.487 0.132 0.000 1.021 771 N HN 0.205 nan 8.380 nan 0.000 0.422 772 T N -0.085 114.581 114.554 0.186 0.000 2.699 772 T HA -0.144 4.207 4.350 0.001 0.000 0.268 772 T C 2.021 176.894 174.700 0.288 0.000 1.036 772 T CA 1.705 63.877 62.100 0.120 0.000 1.147 772 T CB -0.520 68.281 68.868 -0.111 0.000 0.862 772 T HN 0.301 nan 8.240 nan 0.000 0.446 773 S N 0.367 116.241 115.700 0.289 0.000 2.368 773 S HA -0.025 4.446 4.470 0.001 0.000 0.224 773 S C 2.374 177.131 174.600 0.261 0.000 1.029 773 S CA 1.576 59.969 58.200 0.322 0.000 0.988 773 S CB -0.814 62.662 63.200 0.460 0.000 0.838 773 S HN 0.597 nan 8.310 nan 0.000 0.462 774 G N 0.724 109.655 108.800 0.217 0.000 2.418 774 G HA2 -0.120 3.840 3.960 0.001 0.000 0.217 774 G HA3 -0.120 3.840 3.960 0.001 0.000 0.217 774 G C 1.476 176.492 174.900 0.195 0.000 1.158 774 G CA 1.053 46.228 45.100 0.125 0.000 0.771 774 G HN 0.463 nan 8.290 nan 0.000 0.545 775 V N 1.357 121.457 119.914 0.310 0.000 2.343 775 V HA -0.150 3.970 4.120 0.001 0.000 0.247 775 V C 2.596 178.862 176.094 0.285 0.000 1.051 775 V CA 2.126 64.642 62.300 0.360 0.000 1.036 775 V CB -0.435 31.663 31.823 0.458 0.000 0.654 775 V HN 0.254 nan 8.190 nan 0.000 0.451 776 D N 0.007 120.609 120.400 0.337 0.000 2.116 776 D HA -0.169 4.472 4.640 0.001 0.000 0.193 776 D C 2.234 178.650 176.300 0.192 0.000 0.998 776 D CA 1.279 55.440 54.000 0.268 0.000 0.836 776 D CB -0.250 40.735 40.800 0.307 0.000 0.951 776 D HN 0.438 nan 8.370 nan 0.000 0.449 777 E N -0.081 120.226 120.200 0.178 0.000 2.204 777 E HA -0.084 4.267 4.350 0.001 0.000 0.194 777 E C 2.204 178.854 176.600 0.083 0.000 0.989 777 E CA 0.350 56.825 56.400 0.126 0.000 0.824 777 E CB -0.221 29.537 29.700 0.098 0.000 0.756 777 E HN 0.457 nan 8.360 nan 0.000 0.477 778 M N -0.045 119.610 119.600 0.092 0.000 2.175 778 M HA -0.098 4.382 4.480 0.001 0.000 0.264 778 M C 2.109 178.416 176.300 0.012 0.000 1.063 778 M CA 1.275 56.607 55.300 0.053 0.000 1.119 778 M CB -0.097 32.555 32.600 0.086 0.000 1.377 778 M HN 0.040 nan 8.290 nan 0.000 0.415 779 L N -0.949 120.298 121.223 0.040 0.000 2.513 779 L HA 0.254 4.595 4.340 0.001 0.000 0.222 779 L C -0.193 176.668 176.870 -0.014 0.000 1.096 779 L CA -0.158 54.662 54.840 -0.032 0.000 0.857 779 L CB 0.446 42.508 42.059 0.005 0.000 1.026 779 L HN 0.220 nan 8.230 nan 0.000 0.469 780 L N -0.094 121.150 121.223 0.036 0.000 2.641 780 L HA 0.378 4.719 4.340 0.001 0.000 0.261 780 L C -1.485 175.418 176.870 0.056 0.000 0.926 780 L CA -0.113 54.752 54.840 0.042 0.000 0.917 780 L CB 1.843 43.952 42.059 0.083 0.000 1.361 780 L HN -0.038 nan 8.230 nan 0.000 0.417 781 Q N 1.713 121.518 119.800 0.007 0.000 2.387 781 Q HA 0.772 5.112 4.340 0.001 0.000 0.273 781 Q C -0.300 175.635 176.000 -0.109 0.000 1.089 781 Q CA -0.063 55.733 55.803 -0.012 0.000 0.824 781 Q CB 2.299 31.024 28.738 -0.022 0.000 1.367 781 Q HN 0.712 nan 8.270 nan 0.000 0.443 782 S N -1.053 114.569 115.700 -0.129 0.000 2.998 782 S HA 0.027 4.498 4.470 0.001 0.000 0.256 782 S C 0.313 174.763 174.600 -0.250 0.000 0.970 782 S CA -0.381 57.682 58.200 -0.229 0.000 1.238 782 S CB -0.028 63.068 63.200 -0.175 0.000 1.170 782 S HN 0.758 nan 8.310 nan 0.000 0.663 783 N N 1.168 119.754 118.700 -0.190 0.000 2.299 783 N HA 0.114 4.855 4.740 0.001 0.000 0.187 783 N C 0.354 175.810 175.510 -0.090 0.000 1.099 783 N CA 0.008 52.987 53.050 -0.119 0.000 0.867 783 N CB 0.375 38.834 38.487 -0.048 0.000 0.974 783 N HN 0.306 nan 8.380 nan 0.000 0.477 784 S N -0.233 115.358 115.700 -0.182 0.000 2.693 784 S HA 0.447 4.918 4.470 0.001 0.000 0.276 784 S C -0.558 174.129 174.600 0.144 0.000 1.192 784 S CA -0.211 57.972 58.200 -0.027 0.000 0.994 784 S CB 1.052 64.263 63.200 0.018 0.000 1.012 784 S HN 0.234 nan 8.310 nan 0.000 0.550 785 T N 2.793 117.529 114.554 0.303 0.000 2.786 785 T HA 0.413 4.763 4.350 0.001 0.000 0.283 785 T C -1.047 173.906 174.700 0.421 0.000 0.992 785 T CA -0.194 62.129 62.100 0.372 0.000 0.954 785 T CB 0.384 69.382 68.868 0.217 0.000 0.934 785 T HN 0.456 nan 8.240 nan 0.000 0.440 786 F N 3.012 123.124 119.950 0.270 0.000 2.394 786 F HA 0.494 5.022 4.527 0.001 0.000 0.340 786 F C 0.241 176.117 175.800 0.128 0.000 1.105 786 F CA -0.304 57.710 58.000 0.022 0.000 1.124 786 F CB 1.073 39.875 39.000 -0.330 0.000 1.145 786 F HN 0.391 nan 8.300 nan 0.000 0.505 787 T N 5.130 119.517 114.554 -0.279 0.000 2.833 787 T HA 0.227 4.578 4.350 0.001 0.000 0.297 787 T C -0.780 173.779 174.700 -0.237 0.000 1.015 787 T CA -0.878 61.159 62.100 -0.104 0.000 0.963 787 T CB 0.593 69.403 68.868 -0.096 0.000 0.955 787 T HN 0.594 nan 8.240 nan 0.000 0.449 788 D N 1.641 122.144 120.400 0.171 0.000 2.369 788 D HA 0.019 4.660 4.640 0.001 0.000 0.241 788 D C 1.578 177.912 176.300 0.058 0.000 1.271 788 D CA -0.289 53.836 54.000 0.209 0.000 0.942 788 D CB 0.298 41.354 40.800 0.427 0.000 1.129 788 D HN 0.425 nan 8.370 nan 0.000 0.476 789 T N -3.106 111.481 114.554 0.056 0.000 2.929 789 T HA -0.050 4.301 4.350 0.001 0.000 0.271 789 T C 1.615 176.328 174.700 0.022 0.000 1.085 789 T CA 0.862 62.972 62.100 0.016 0.000 1.125 789 T CB -0.494 68.386 68.868 0.019 0.000 0.874 789 T HN 0.553 nan 8.240 nan 0.000 0.494 790 A N 0.629 123.477 122.820 0.047 0.000 2.278 790 A HA 0.622 4.943 4.320 0.001 0.000 0.212 790 A C 1.981 179.579 177.584 0.024 0.000 1.213 790 A CA 0.374 52.432 52.037 0.036 0.000 0.840 790 A CB -1.070 17.960 19.000 0.048 0.000 0.866 790 A HN 1.202 nan 8.150 nan 0.000 0.489 791 G N -0.328 108.484 108.800 0.020 0.000 2.162 791 G HA2 -0.302 3.659 3.960 0.001 0.000 0.260 791 G HA3 -0.302 3.659 3.960 0.001 0.000 0.260 791 G C 0.267 175.163 174.900 -0.006 0.000 0.976 791 G CA 0.640 45.742 45.100 0.002 0.000 0.655 791 G HN 0.814 nan 8.290 nan 0.000 0.533 792 K N 1.135 121.540 120.400 0.008 0.000 2.276 792 K HA 0.521 4.841 4.320 0.001 0.000 0.283 792 K C 0.374 176.886 176.600 -0.147 0.000 1.044 792 K CA -0.354 55.877 56.287 -0.093 0.000 0.944 792 K CB 0.492 32.930 32.500 -0.104 0.000 1.012 792 K HN 0.027 nan 8.250 nan 0.000 0.472 793 K N 4.188 124.441 120.400 -0.245 0.000 2.156 793 K HA 0.211 4.531 4.320 0.001 0.000 0.271 793 K C -0.974 175.423 176.600 -0.338 0.000 0.995 793 K CA -0.485 55.720 56.287 -0.137 0.000 0.890 793 K CB 1.112 33.590 32.500 -0.038 0.000 1.073 793 K HN 0.563 nan 8.250 nan 0.000 0.454 794 Y N 0.840 121.232 120.300 0.154 0.000 2.447 794 Y HA 0.210 4.760 4.550 0.001 0.000 0.325 794 Y C 0.135 176.154 175.900 0.198 0.000 0.976 794 Y CA -1.028 57.151 58.100 0.131 0.000 1.280 794 Y CB 1.332 39.834 38.460 0.070 0.000 1.104 794 Y HN 0.115 nan 8.280 nan 0.000 0.486 795 V N 3.973 124.022 119.914 0.226 0.000 2.498 795 V HA 0.113 4.233 4.120 0.001 0.000 0.279 795 V C 0.115 176.298 176.094 0.148 0.000 1.048 795 V CA -0.719 61.690 62.300 0.182 0.000 0.967 795 V CB 0.818 32.706 31.823 0.109 0.000 0.988 795 V HN 0.942 nan 8.190 nan 0.000 0.473 796 N N 2.343 121.100 118.700 0.095 0.000 2.758 796 N HA -0.203 4.538 4.740 0.001 0.000 0.248 796 N C -0.394 175.090 175.510 -0.044 0.000 1.076 796 N CA 0.940 53.967 53.050 -0.039 0.000 0.696 796 N CB -1.426 37.021 38.487 -0.066 0.000 0.979 796 N HN 0.890 nan 8.380 nan 0.000 0.550 797 Y N -1.534 118.764 120.300 -0.003 0.000 2.457 797 Y HA 0.393 4.943 4.550 0.001 0.000 0.341 797 Y C 0.791 176.620 175.900 -0.119 0.000 1.240 797 Y CA -0.600 57.448 58.100 -0.087 0.000 1.437 797 Y CB 0.429 38.833 38.460 -0.092 0.000 1.328 797 Y HN 0.049 nan 8.280 nan 0.000 0.588 798 T N 4.208 118.704 114.554 -0.096 0.000 2.737 798 T HA 0.089 4.440 4.350 0.001 0.000 0.296 798 T C -0.366 174.312 174.700 -0.036 0.000 0.922 798 T CA -0.506 61.507 62.100 -0.146 0.000 1.079 798 T CB -0.263 68.464 68.868 -0.236 0.000 0.892 798 T HN 0.591 nan 8.240 nan 0.000 0.514 799 N N 4.199 122.847 118.700 -0.085 0.000 2.546 799 N HA 0.210 4.951 4.740 0.001 0.000 0.238 799 N C -0.690 174.807 175.510 -0.021 0.000 0.984 799 N CA -0.729 52.321 53.050 -0.000 0.000 0.935 799 N CB 0.281 38.754 38.487 -0.024 0.000 1.122 799 N HN 0.395 nan 8.380 nan 0.000 0.510 800 I N 4.570 125.121 120.570 -0.032 0.000 2.416 800 I HA 0.180 4.351 4.170 0.001 0.000 0.288 800 I C 1.054 177.126 176.117 -0.074 0.000 1.051 800 I CA -0.362 60.904 61.300 -0.056 0.000 1.375 800 I CB 0.196 38.145 38.000 -0.084 0.000 1.407 800 I HN 0.570 nan 8.210 nan 0.000 0.516 801 L N 7.158 128.319 121.223 -0.103 0.000 3.677 801 L HA -0.183 4.157 4.340 0.001 0.000 0.464 801 L C -1.450 175.357 176.870 -0.104 0.000 1.278 801 L CA -0.292 54.448 54.840 -0.166 0.000 0.806 801 L CB -1.135 40.771 42.059 -0.256 0.000 1.610 801 L HN 0.523 nan 8.230 nan 0.000 0.867 802 P HA -0.032 nan 4.420 nan 0.000 0.225 802 P C 0.690 177.979 177.300 -0.019 0.000 1.156 802 P CA 1.660 64.751 63.100 -0.015 0.000 0.787 802 P CB 0.422 32.128 31.700 0.009 0.000 0.802 803 A N 0.018 122.813 122.820 -0.043 0.000 3.415 803 A HA 0.376 4.696 4.320 0.001 0.000 0.244 803 A C -0.580 176.943 177.584 -0.102 0.000 0.988 803 A CA -0.432 51.579 52.037 -0.043 0.000 0.991 803 A CB -0.602 18.398 19.000 -0.001 0.000 1.240 803 A HN 0.084 nan 8.150 nan 0.000 0.541 804 L N 2.488 123.623 121.223 -0.147 0.000 2.361 804 L HA 0.486 4.827 4.340 0.001 0.000 0.278 804 L C -2.226 174.516 176.870 -0.213 0.000 1.113 804 L CA -1.489 53.224 54.840 -0.210 0.000 0.849 804 L CB 0.224 42.105 42.059 -0.296 0.000 1.155 804 L HN 0.240 nan 8.230 nan 0.000 0.452 805 P HA 0.134 nan 4.420 nan 0.000 0.275 805 P C -0.251 176.887 177.300 -0.270 0.000 1.227 805 P CA -0.217 62.646 63.100 -0.396 0.000 0.781 805 P CB 0.713 31.939 31.700 -0.790 0.000 0.906 806 D N 2.186 122.478 120.400 -0.179 0.000 2.228 806 D HA -0.171 4.469 4.640 0.001 0.000 0.203 806 D C 1.876 178.121 176.300 -0.091 0.000 0.988 806 D CA 1.691 55.637 54.000 -0.090 0.000 0.864 806 D CB -0.508 40.253 40.800 -0.064 0.000 0.928 806 D HN 0.445 nan 8.370 nan 0.000 0.469 807 A N -0.014 122.653 122.820 -0.254 0.000 2.070 807 A HA -0.137 4.184 4.320 0.001 0.000 0.220 807 A C 0.491 178.099 177.584 0.040 0.000 1.159 807 A CA 0.595 52.483 52.037 -0.248 0.000 0.656 807 A CB -0.337 18.243 19.000 -0.700 0.000 0.800 807 A HN 0.164 nan 8.150 nan 0.000 0.453 808 W N -0.472 120.763 121.300 -0.107 0.000 2.024 808 W HA 0.660 5.321 4.660 0.001 0.000 0.318 808 W C 1.119 177.794 176.519 0.260 0.000 0.817 808 W CA -1.287 56.103 57.345 0.075 0.000 1.745 808 W CB -0.788 28.764 29.460 0.153 0.000 1.940 808 W HN 0.348 nan 8.180 nan 0.000 0.346 809 A N 1.326 124.348 122.820 0.337 0.000 1.933 809 A HA 0.260 4.580 4.320 0.001 0.000 0.218 809 A C 1.242 179.010 177.584 0.306 0.000 1.175 809 A CA 1.589 53.786 52.037 0.268 0.000 0.628 809 A CB -0.241 18.838 19.000 0.132 0.000 0.814 809 A HN 0.376 nan 8.150 nan 0.000 0.444 810 G N -3.298 105.566 108.800 0.107 0.000 2.659 810 G HA2 0.633 4.593 3.960 0.001 0.000 0.296 810 G HA3 0.633 4.593 3.960 0.001 0.000 0.296 810 G C -0.408 174.026 174.900 -0.777 0.000 1.369 810 G CA 0.001 44.887 45.100 -0.355 0.000 0.937 810 G HN 1.225 nan 8.290 nan 0.000 0.485 811 G N -0.781 107.065 108.800 -1.590 0.000 2.321 811 G HA2 0.744 4.705 3.960 0.001 0.000 0.296 811 G HA3 0.744 4.705 3.960 0.001 0.000 0.296 811 G C -0.800 173.180 174.900 -1.532 0.000 1.287 811 G CA 0.551 44.823 45.100 -1.379 0.000 0.846 811 G HN 1.946 nan 8.290 nan 0.000 0.508 812 S N -2.211 112.965 115.700 -0.873 0.000 2.550 812 S HA 0.837 5.308 4.470 0.001 0.000 0.270 812 S C -1.593 172.964 174.600 -0.071 0.000 1.145 812 S CA -0.470 57.519 58.200 -0.352 0.000 0.852 812 S CB 1.870 64.941 63.200 -0.215 0.000 1.119 812 S HN 2.044 nan 8.310 nan 0.000 0.465 813 V N 1.485 121.462 119.914 0.106 0.000 2.932 813 V HA 0.898 5.018 4.120 0.001 0.000 0.307 813 V C -1.201 174.947 176.094 0.089 0.000 1.147 813 V CA 0.176 62.532 62.300 0.095 0.000 0.951 813 V CB 2.180 34.094 31.823 0.151 0.000 1.031 813 V HN 1.625 nan 8.190 nan 0.000 0.426 814 S N 3.167 118.904 115.700 0.062 0.000 2.564 814 S HA 0.853 5.323 4.470 0.001 0.000 0.274 814 S C 0.441 175.086 174.600 0.074 0.000 1.124 814 S CA 0.093 58.336 58.200 0.070 0.000 0.869 814 S CB 1.754 64.985 63.200 0.051 0.000 1.105 814 S HN 2.558 nan 8.310 nan 0.000 0.472 815 G N 0.480 109.333 108.800 0.087 0.000 2.175 815 G HA2 -0.186 3.775 3.960 0.001 0.000 0.244 815 G HA3 -0.186 3.775 3.960 0.001 0.000 0.244 815 G C -0.094 174.873 174.900 0.111 0.000 0.982 815 G CA 0.059 45.212 45.100 0.088 0.000 0.641 815 G HN 0.817 nan 8.290 nan 0.000 0.527 816 L N 0.300 121.601 121.223 0.130 0.000 2.464 816 L HA 0.575 4.915 4.340 0.001 0.000 0.264 816 L C 0.667 177.644 176.870 0.179 0.000 1.199 816 L CA -0.663 54.272 54.840 0.159 0.000 0.818 816 L CB 1.142 43.299 42.059 0.163 0.000 1.102 816 L HN -0.043 nan 8.230 nan 0.000 0.473 817 V N 0.970 121.017 119.914 0.221 0.000 2.540 817 V HA 0.641 4.761 4.120 0.001 0.000 0.302 817 V C 0.123 176.444 176.094 0.378 0.000 1.035 817 V CA -0.606 61.860 62.300 0.277 0.000 0.873 817 V CB 1.562 33.546 31.823 0.268 0.000 0.992 817 V HN 0.885 nan 8.190 nan 0.000 0.428 818 A N 4.615 127.614 122.820 0.298 0.000 2.320 818 A HA 0.768 5.089 4.320 0.001 0.000 0.334 818 A C 0.141 177.744 177.584 0.031 0.000 1.147 818 A CA -0.788 51.356 52.037 0.178 0.000 0.820 818 A CB 0.743 19.818 19.000 0.125 0.000 1.218 818 A HN 0.843 nan 8.150 nan 0.000 0.482 819 R N -0.090 120.201 120.500 -0.348 0.000 2.698 819 R HA 0.333 4.673 4.340 0.001 0.000 0.266 819 R C 1.332 177.571 176.300 -0.102 0.000 1.026 819 R CA 1.598 57.407 56.100 -0.487 0.000 1.102 819 R CB 0.167 30.124 30.300 -0.572 0.000 0.978 819 R HN 1.611 nan 8.270 nan 0.000 0.436 820 G N 1.400 110.106 108.800 -0.157 0.000 2.195 820 G HA2 -0.342 3.619 3.960 0.001 0.000 0.246 820 G HA3 -0.342 3.619 3.960 0.001 0.000 0.246 820 G C 0.148 174.864 174.900 -0.307 0.000 0.984 820 G CA 0.118 45.163 45.100 -0.091 0.000 0.633 820 G HN 0.723 nan 8.290 nan 0.000 0.525 821 N N -1.321 117.262 118.700 -0.194 0.000 2.846 821 N HA -0.142 4.598 4.740 0.001 0.000 0.249 821 N C -0.551 174.730 175.510 -0.382 0.000 1.090 821 N CA 1.101 54.024 53.050 -0.212 0.000 0.674 821 N CB -1.668 36.681 38.487 -0.230 0.000 0.938 821 N HN 0.587 nan 8.380 nan 0.000 0.559 822 F N 0.149 120.115 119.950 0.027 0.000 2.458 822 F HA 0.415 4.943 4.527 0.001 0.000 0.336 822 F C 1.169 177.019 175.800 0.083 0.000 1.114 822 F CA -0.454 57.577 58.000 0.052 0.000 0.987 822 F CB 1.625 40.643 39.000 0.029 0.000 1.130 822 F HN -0.130 nan 8.300 nan 0.000 0.458 823 T N 3.155 117.855 114.554 0.243 0.000 2.856 823 T HA 0.552 4.902 4.350 0.001 0.000 0.292 823 T C -0.445 174.374 174.700 0.199 0.000 0.980 823 T CA -0.502 61.712 62.100 0.191 0.000 1.091 823 T CB 1.170 70.119 68.868 0.135 0.000 0.936 823 T HN 0.285 nan 8.240 nan 0.000 0.503 824 V N 2.420 122.434 119.914 0.167 0.000 2.525 824 V HA 0.744 4.865 4.120 0.001 0.000 0.299 824 V C 0.474 176.642 176.094 0.124 0.000 1.034 824 V CA -0.804 61.582 62.300 0.144 0.000 0.863 824 V CB 1.894 33.793 31.823 0.127 0.000 0.999 824 V HN 1.059 nan 8.190 nan 0.000 0.423 825 G N 1.610 110.480 108.800 0.116 0.000 2.453 825 G HA2 0.715 4.675 3.960 0.001 0.000 0.323 825 G HA3 0.715 4.675 3.960 0.001 0.000 0.323 825 G C -0.857 174.116 174.900 0.123 0.000 1.198 825 G CA -0.602 44.565 45.100 0.111 0.000 0.959 825 G HN 0.678 nan 8.290 nan 0.000 0.482 826 T N -0.579 114.072 114.554 0.162 0.000 2.982 826 T HA 0.654 5.005 4.350 0.001 0.000 0.321 826 T C -0.955 173.921 174.700 0.294 0.000 1.229 826 T CA -0.335 61.891 62.100 0.210 0.000 1.044 826 T CB 1.741 70.726 68.868 0.194 0.000 1.184 826 T HN 0.490 nan 8.240 nan 0.000 0.477 827 T N 4.386 119.091 114.554 0.253 0.000 2.841 827 T HA 0.732 5.082 4.350 0.001 0.000 0.283 827 T C -1.241 173.632 174.700 0.290 0.000 1.000 827 T CA -0.602 61.583 62.100 0.142 0.000 0.977 827 T CB 0.577 69.461 68.868 0.026 0.000 0.979 827 T HN 0.687 nan 8.240 nan 0.000 0.446 828 W N 1.724 123.042 121.300 0.030 0.000 3.031 828 W HA 0.869 5.530 4.660 0.001 0.000 0.337 828 W C -1.374 175.167 176.519 0.036 0.000 1.187 828 W CA -1.099 56.273 57.345 0.045 0.000 1.166 828 W CB 1.374 30.866 29.460 0.054 0.000 1.437 828 W HN 0.563 nan 8.180 nan 0.000 0.551 829 K N 1.804 122.318 120.400 0.190 0.000 2.523 829 K HA 0.232 4.553 4.320 0.001 0.000 0.257 829 K C -0.046 176.645 176.600 0.151 0.000 0.932 829 K CA -0.669 55.666 56.287 0.080 0.000 0.812 829 K CB 1.195 33.705 32.500 0.016 0.000 1.326 829 K HN 0.766 nan 8.250 nan 0.000 0.433 830 N N 1.518 120.292 118.700 0.123 0.000 2.708 830 N HA -0.223 4.517 4.740 0.001 0.000 0.249 830 N C 0.358 175.955 175.510 0.145 0.000 1.097 830 N CA 1.556 54.673 53.050 0.111 0.000 0.710 830 N CB -1.081 37.449 38.487 0.070 0.000 1.032 830 N HN 1.075 nan 8.380 nan 0.000 0.551 831 G N -1.152 107.789 108.800 0.236 0.000 2.159 831 G HA2 -0.324 3.636 3.960 0.001 0.000 0.256 831 G HA3 -0.324 3.636 3.960 0.001 0.000 0.256 831 G C -0.091 174.901 174.900 0.153 0.000 0.977 831 G CA 0.879 46.094 45.100 0.191 0.000 0.652 831 G HN 0.530 nan 8.290 nan 0.000 0.531 832 K N -0.177 120.355 120.400 0.221 0.000 2.464 832 K HA 0.709 5.030 4.320 0.001 0.000 0.253 832 K C 0.279 177.051 176.600 0.286 0.000 0.933 832 K CA -0.312 56.094 56.287 0.198 0.000 0.801 832 K CB 2.145 34.744 32.500 0.165 0.000 1.271 832 K HN 0.660 nan 8.250 nan 0.000 0.430 833 A N 1.077 124.056 122.820 0.266 0.000 2.540 833 A HA 0.081 4.402 4.320 0.001 0.000 0.239 833 A C 1.038 178.827 177.584 0.341 0.000 1.061 833 A CA 0.574 52.785 52.037 0.291 0.000 0.758 833 A CB -0.131 18.939 19.000 0.117 0.000 0.991 833 A HN 0.889 nan 8.150 nan 0.000 0.502 834 T N -0.758 113.962 114.554 0.277 0.000 3.000 834 T HA 0.292 4.643 4.350 0.001 0.000 0.248 834 T C 0.389 175.216 174.700 0.211 0.000 1.034 834 T CA 0.705 62.937 62.100 0.219 0.000 1.060 834 T CB 0.037 68.979 68.868 0.124 0.000 0.983 834 T HN 0.747 nan 8.240 nan 0.000 0.482 835 E N 0.396 120.708 120.200 0.185 0.000 2.335 835 E HA 0.532 4.883 4.350 0.001 0.000 0.280 835 E C -2.071 174.600 176.600 0.119 0.000 0.918 835 E CA -0.731 55.755 56.400 0.143 0.000 0.765 835 E CB 2.759 32.518 29.700 0.098 0.000 1.218 835 E HN 0.077 nan 8.360 nan 0.000 0.425 836 V N 4.151 124.117 119.914 0.087 0.000 2.495 836 V HA 0.524 4.644 4.120 0.001 0.000 0.298 836 V C -0.292 175.857 176.094 0.091 0.000 1.031 836 V CA -0.701 61.640 62.300 0.068 0.000 0.871 836 V CB 1.642 33.469 31.823 0.007 0.000 0.988 836 V HN 0.594 nan 8.190 nan 0.000 0.432 837 R N 3.948 124.509 120.500 0.103 0.000 2.310 837 R HA 0.616 4.957 4.340 0.001 0.000 0.324 837 R C -1.285 175.107 176.300 0.154 0.000 0.955 837 R CA -0.693 55.478 56.100 0.119 0.000 0.830 837 R CB 1.781 32.138 30.300 0.095 0.000 1.154 837 R HN 0.527 nan 8.270 nan 0.000 0.458 838 L N 2.503 123.858 121.223 0.221 0.000 2.316 838 L HA 0.352 4.693 4.340 0.001 0.000 0.280 838 L C -0.767 176.335 176.870 0.387 0.000 1.006 838 L CA 0.022 55.035 54.840 0.287 0.000 0.836 838 L CB 2.044 44.275 42.059 0.286 0.000 1.221 838 L HN 0.493 nan 8.230 nan 0.000 0.418 839 T N 2.826 117.573 114.554 0.321 0.000 2.733 839 T HA 0.217 4.568 4.350 0.001 0.000 0.294 839 T C 0.069 174.962 174.700 0.322 0.000 0.956 839 T CA -0.154 62.109 62.100 0.273 0.000 0.987 839 T CB 0.880 69.840 68.868 0.154 0.000 0.920 839 T HN 0.579 nan 8.240 nan 0.000 0.470 840 S N 2.939 118.855 115.700 0.361 0.000 2.422 840 S HA 0.164 4.635 4.470 0.001 0.000 0.283 840 S C 1.002 175.590 174.600 -0.021 0.000 1.163 840 S CA -0.683 57.610 58.200 0.155 0.000 1.054 840 S CB -0.172 63.221 63.200 0.321 0.000 0.967 840 S HN 0.657 nan 8.310 nan 0.000 0.499 841 N N 3.510 122.103 118.700 -0.179 0.000 2.424 841 N HA 0.134 4.874 4.740 0.001 0.000 0.178 841 N C 1.013 176.444 175.510 -0.132 0.000 1.060 841 N CA 0.173 53.155 53.050 -0.113 0.000 0.901 841 N CB 0.233 38.665 38.487 -0.092 0.000 0.979 841 N HN 0.362 nan 8.380 nan 0.000 0.451 842 K N -0.525 119.742 120.400 -0.222 0.000 2.438 842 K HA 0.258 4.579 4.320 0.001 0.000 0.206 842 K C 0.596 177.129 176.600 -0.112 0.000 1.081 842 K CA 0.105 56.297 56.287 -0.159 0.000 1.053 842 K CB 1.176 33.559 32.500 -0.196 0.000 0.908 842 K HN 0.132 nan 8.250 nan 0.000 0.556 843 G N 2.481 111.223 108.800 -0.096 0.000 2.160 843 G HA2 -0.324 3.637 3.960 0.001 0.000 0.251 843 G HA3 -0.324 3.637 3.960 0.001 0.000 0.251 843 G C 0.077 174.973 174.900 -0.007 0.000 1.008 843 G CA 0.652 45.748 45.100 -0.007 0.000 0.724 843 G HN 0.287 nan 8.290 nan 0.000 0.514 844 K N 0.338 120.693 120.400 -0.076 0.000 2.237 844 K HA 0.325 4.646 4.320 0.001 0.000 0.270 844 K C 0.923 177.623 176.600 0.166 0.000 1.015 844 K CA -0.533 55.771 56.287 0.029 0.000 0.949 844 K CB 0.368 32.865 32.500 -0.005 0.000 0.976 844 K HN 0.308 nan 8.250 nan 0.000 0.472 845 Q N 1.978 121.829 119.800 0.085 0.000 2.286 845 Q HA 0.024 4.365 4.340 0.001 0.000 0.290 845 Q C -1.018 174.924 176.000 -0.096 0.000 1.049 845 Q CA -0.161 55.634 55.803 -0.014 0.000 0.923 845 Q CB 0.699 29.436 28.738 -0.001 0.000 1.183 845 Q HN 0.627 nan 8.270 nan 0.000 0.383 846 A N 3.168 125.695 122.820 -0.489 0.000 2.354 846 A HA 0.663 4.983 4.320 0.001 0.000 0.269 846 A C -0.774 176.385 177.584 -0.708 0.000 1.109 846 A CA 0.146 51.641 52.037 -0.903 0.000 0.800 846 A CB 0.956 18.908 19.000 -1.746 0.000 1.045 846 A HN 0.788 nan 8.150 nan 0.000 0.489 847 A N 2.084 124.567 122.820 -0.562 0.000 2.446 847 A HA 0.585 4.905 4.320 0.001 0.000 0.282 847 A C -1.127 176.248 177.584 -0.349 0.000 1.102 847 A CA -0.306 51.476 52.037 -0.426 0.000 0.737 847 A CB 1.007 19.842 19.000 -0.276 0.000 1.212 847 A HN 1.100 nan 8.150 nan 0.000 0.434 848 V N 2.936 122.654 119.914 -0.326 0.000 2.444 848 V HA 0.423 4.544 4.120 0.001 0.000 0.294 848 V C 0.109 176.080 176.094 -0.205 0.000 1.022 848 V CA -0.618 61.558 62.300 -0.207 0.000 0.850 848 V CB 1.678 33.420 31.823 -0.134 0.000 0.992 848 V HN 0.868 nan 8.190 nan 0.000 0.426 849 K N 4.790 125.127 120.400 -0.104 0.000 2.156 849 K HA 0.663 4.983 4.320 0.001 0.000 0.271 849 K C -0.988 175.561 176.600 -0.085 0.000 0.995 849 K CA -0.603 55.623 56.287 -0.102 0.000 0.890 849 K CB 1.163 33.691 32.500 0.047 0.000 1.073 849 K HN 0.647 nan 8.250 nan 0.000 0.454 850 I N 4.510 125.007 120.570 -0.122 0.000 2.388 850 I HA 0.090 4.261 4.170 0.001 0.000 0.281 850 I C 0.811 176.888 176.117 -0.066 0.000 1.046 850 I CA -0.460 60.746 61.300 -0.157 0.000 1.187 850 I CB 1.690 39.455 38.000 -0.391 0.000 1.351 850 I HN 0.756 nan 8.210 nan 0.000 0.472 851 T N 3.693 118.225 114.554 -0.036 0.000 2.857 851 T HA -0.039 4.312 4.350 0.001 0.000 0.266 851 T C 1.213 175.910 174.700 -0.005 0.000 1.048 851 T CA 0.984 63.082 62.100 -0.004 0.000 1.139 851 T CB 0.102 68.973 68.868 0.006 0.000 0.874 851 T HN 0.641 nan 8.240 nan 0.000 0.455 852 A N 0.622 123.426 122.820 -0.028 0.000 3.015 852 A HA 0.628 4.949 4.320 0.001 0.000 0.293 852 A C 1.308 178.934 177.584 0.069 0.000 1.572 852 A CA 0.182 52.218 52.037 -0.002 0.000 1.274 852 A CB -0.880 18.084 19.000 -0.059 0.000 1.156 852 A HN 0.544 nan 8.150 nan 0.000 0.562 853 G N 0.033 108.899 108.800 0.109 0.000 3.345 853 G HA2 0.401 4.362 3.960 0.001 0.000 0.199 853 G HA3 0.401 4.362 3.960 0.001 0.000 0.199 853 G C 0.967 176.035 174.900 0.280 0.000 1.057 853 G CA 0.585 45.830 45.100 0.241 0.000 0.865 853 G HN 2.474 nan 8.290 nan 0.000 0.449 854 G N 0.013 108.922 108.800 0.182 0.000 3.439 854 G HA2 0.378 4.339 3.960 0.001 0.000 0.684 854 G HA3 0.378 4.339 3.960 0.001 0.000 0.684 854 G C 0.916 175.954 174.900 0.230 0.000 1.005 854 G CA 0.824 46.011 45.100 0.145 0.000 0.837 854 G HN 1.839 nan 8.290 nan 0.000 0.470 855 A N 2.505 125.369 122.820 0.074 0.000 2.070 855 A HA -0.037 4.283 4.320 0.001 0.000 0.220 855 A C 2.391 180.074 177.584 0.165 0.000 1.159 855 A CA 2.140 54.207 52.037 0.049 0.000 0.656 855 A CB -0.147 18.797 19.000 -0.094 0.000 0.800 855 A HN 1.499 nan 8.150 nan 0.000 0.453 856 Q N 0.145 120.010 119.800 0.108 0.000 2.439 856 Q HA -0.132 4.208 4.340 0.001 0.000 0.211 856 Q C 0.274 176.321 176.000 0.079 0.000 0.978 856 Q CA 1.433 57.278 55.803 0.071 0.000 0.897 856 Q CB -0.623 28.137 28.738 0.037 0.000 0.956 856 Q HN 0.611 nan 8.270 nan 0.000 0.483 857 N N -0.435 118.344 118.700 0.132 0.000 2.280 857 N HA 0.119 4.860 4.740 0.001 0.000 0.192 857 N C -0.576 174.803 175.510 -0.218 0.000 1.109 857 N CA 0.158 53.178 53.050 -0.050 0.000 0.855 857 N CB 0.245 38.659 38.487 -0.122 0.000 0.974 857 N HN 0.272 nan 8.380 nan 0.000 0.482 858 Y N 0.653 120.944 120.300 -0.016 0.000 2.650 858 Y HA 0.398 4.949 4.550 0.001 0.000 0.331 858 Y C 0.377 176.258 175.900 -0.032 0.000 1.082 858 Y CA -1.156 56.933 58.100 -0.017 0.000 1.171 858 Y CB 1.356 39.809 38.460 -0.012 0.000 1.326 858 Y HN -0.071 nan 8.280 nan 0.000 0.513 859 E N -0.899 119.379 120.200 0.130 0.000 2.413 859 E HA 0.706 5.057 4.350 0.001 0.000 0.277 859 E C -2.148 174.448 176.600 -0.008 0.000 0.958 859 E CA -1.076 55.341 56.400 0.029 0.000 0.779 859 E CB 2.262 31.961 29.700 -0.002 0.000 1.278 859 E HN 0.262 nan 8.360 nan 0.000 0.456 860 V N 1.142 120.996 119.914 -0.101 0.000 2.513 860 V HA 0.514 4.635 4.120 0.001 0.000 0.299 860 V C -0.420 175.606 176.094 -0.114 0.000 1.035 860 V CA -0.747 61.439 62.300 -0.189 0.000 0.889 860 V CB 1.390 32.881 31.823 -0.553 0.000 0.988 860 V HN 0.609 nan 8.190 nan 0.000 0.440 861 K N 2.488 122.861 120.400 -0.046 0.000 2.435 861 K HA 0.457 4.777 4.320 0.001 0.000 0.251 861 K C -0.720 175.901 176.600 0.036 0.000 0.954 861 K CA -0.670 55.614 56.287 -0.006 0.000 0.820 861 K CB 2.508 35.004 32.500 -0.006 0.000 1.292 861 K HN 0.728 nan 8.250 nan 0.000 0.436 862 N N 1.266 119.975 118.700 0.016 0.000 2.706 862 N HA 0.194 4.934 4.740 0.001 0.000 0.240 862 N C 0.392 175.861 175.510 -0.068 0.000 1.039 862 N CA 0.150 53.152 53.050 -0.080 0.000 0.888 862 N CB 0.604 39.049 38.487 -0.070 0.000 1.128 862 N HN 0.805 nan 8.380 nan 0.000 0.512 863 G N 3.610 112.369 108.800 -0.069 0.000 2.672 863 G HA2 -0.426 3.535 3.960 0.001 0.000 0.332 863 G HA3 -0.426 3.535 3.960 0.001 0.000 0.332 863 G C 0.475 175.361 174.900 -0.024 0.000 1.213 863 G CA 0.811 45.885 45.100 -0.044 0.000 0.980 863 G HN 0.775 nan 8.290 nan 0.000 0.548 864 D N 1.253 121.641 120.400 -0.020 0.000 2.325 864 D HA 0.230 4.870 4.640 0.001 0.000 0.234 864 D C 0.744 177.040 176.300 -0.007 0.000 1.122 864 D CA 1.388 55.382 54.000 -0.011 0.000 0.850 864 D CB 0.122 40.917 40.800 -0.009 0.000 0.921 864 D HN 0.596 nan 8.370 nan 0.000 0.513 865 T N -0.621 113.929 114.554 -0.006 0.000 2.933 865 T HA 0.557 4.907 4.350 0.001 0.000 0.305 865 T C -1.182 173.520 174.700 0.003 0.000 1.092 865 T CA -0.544 61.557 62.100 0.001 0.000 1.008 865 T CB 1.585 70.459 68.868 0.009 0.000 1.102 865 T HN 0.159 nan 8.240 nan 0.000 0.469 866 A N 3.257 126.077 122.820 -0.000 0.000 2.440 866 A HA 0.614 4.934 4.320 0.001 0.000 0.251 866 A C -0.038 177.543 177.584 -0.005 0.000 1.089 866 A CA -0.308 51.724 52.037 -0.009 0.000 0.779 866 A CB 0.195 19.189 19.000 -0.010 0.000 1.022 866 A HN 0.757 nan 8.150 nan 0.000 0.492 867 V N 4.042 123.936 119.914 -0.034 0.000 2.427 867 V HA 0.150 4.271 4.120 0.001 0.000 0.286 867 V C 0.151 176.206 176.094 -0.065 0.000 1.034 867 V CA -0.989 61.283 62.300 -0.047 0.000 0.893 867 V CB 1.491 33.225 31.823 -0.149 0.000 0.982 867 V HN 0.895 nan 8.190 nan 0.000 0.452 868 N N 3.878 122.569 118.700 -0.014 0.000 2.427 868 N HA 0.338 5.078 4.740 0.001 0.000 0.269 868 N C -0.154 175.364 175.510 0.013 0.000 1.235 868 N CA 0.156 53.207 53.050 0.002 0.000 0.934 868 N CB 1.416 39.920 38.487 0.029 0.000 1.121 868 N HN 0.836 nan 8.380 nan 0.000 0.480 869 A N 2.720 125.537 122.820 -0.006 0.000 2.343 869 A HA 0.363 4.683 4.320 0.001 0.000 0.316 869 A C 0.062 177.668 177.584 0.037 0.000 1.104 869 A CA -0.828 51.239 52.037 0.050 0.000 0.768 869 A CB 1.352 20.341 19.000 -0.019 0.000 1.213 869 A HN 0.591 nan 8.150 nan 0.000 0.456 870 K N 1.985 122.413 120.400 0.047 0.000 2.205 870 K HA 0.539 4.860 4.320 0.001 0.000 0.279 870 K C -1.029 175.557 176.600 -0.023 0.000 1.027 870 K CA -0.341 55.955 56.287 0.015 0.000 0.932 870 K CB 1.008 33.522 32.500 0.024 0.000 1.032 870 K HN 0.414 nan 8.250 nan 0.000 0.466 871 V N 5.669 125.569 119.914 -0.024 0.000 2.383 871 V HA 0.257 4.378 4.120 0.001 0.000 0.275 871 V C -0.312 175.751 176.094 -0.051 0.000 1.036 871 V CA -0.712 61.559 62.300 -0.049 0.000 0.889 871 V CB 0.927 32.737 31.823 -0.022 0.000 0.985 871 V HN 0.617 nan 8.190 nan 0.000 0.459 872 V N 2.153 121.998 119.914 -0.114 0.000 2.769 872 V HA 1.002 5.122 4.120 0.001 0.000 0.312 872 V C -0.165 175.922 176.094 -0.011 0.000 1.061 872 V CA -0.312 61.953 62.300 -0.059 0.000 0.931 872 V CB 1.830 33.589 31.823 -0.108 0.000 1.010 872 V HN 0.908 nan 8.190 nan 0.000 0.433 873 T N 0.964 115.601 114.554 0.139 0.000 2.896 873 T HA 0.678 5.029 4.350 0.001 0.000 0.297 873 T C -0.625 174.217 174.700 0.236 0.000 1.108 873 T CA -0.576 61.659 62.100 0.226 0.000 1.004 873 T CB 2.119 71.048 68.868 0.102 0.000 1.159 873 T HN 1.211 nan 8.240 nan 0.000 0.499 874 N N 0.887 119.664 118.700 0.128 0.000 2.671 874 N HA 0.586 5.327 4.740 0.001 0.000 0.303 874 N C 1.582 177.046 175.510 -0.077 0.000 1.277 874 N CA -0.379 52.586 53.050 -0.140 0.000 0.933 874 N CB 0.280 38.425 38.487 -0.571 0.000 1.190 874 N HN 0.792 nan 8.380 nan 0.000 0.600 875 A N -0.722 122.034 122.820 -0.107 0.000 1.986 875 A HA -0.184 4.137 4.320 0.001 0.000 0.220 875 A C 0.807 178.360 177.584 -0.052 0.000 1.171 875 A CA 1.827 53.822 52.037 -0.069 0.000 0.640 875 A CB -0.769 18.185 19.000 -0.077 0.000 0.811 875 A HN 0.695 nan 8.150 nan 0.000 0.451 876 D N -1.308 119.053 120.400 -0.064 0.000 2.325 876 D HA 0.309 4.949 4.640 0.001 0.000 0.225 876 D C 1.275 177.570 176.300 -0.008 0.000 1.096 876 D CA 0.918 54.897 54.000 -0.037 0.000 0.844 876 D CB -0.186 40.587 40.800 -0.044 0.000 0.925 876 D HN 0.569 nan 8.370 nan 0.000 0.513 877 G N 0.569 109.371 108.800 0.002 0.000 2.179 877 G HA2 -0.215 3.746 3.960 0.001 0.000 0.257 877 G HA3 -0.215 3.746 3.960 0.001 0.000 0.257 877 G C 0.458 175.387 174.900 0.048 0.000 1.010 877 G CA 0.302 45.416 45.100 0.024 0.000 0.736 877 G HN 0.589 nan 8.290 nan 0.000 0.513 878 A N -0.439 122.426 122.820 0.075 0.000 2.310 878 A HA 0.856 5.177 4.320 0.001 0.000 0.299 878 A C 0.473 178.165 177.584 0.181 0.000 1.147 878 A CA 0.478 52.588 52.037 0.122 0.000 0.818 878 A CB 1.162 20.257 19.000 0.158 0.000 1.096 878 A HN 0.910 nan 8.150 nan 0.000 0.495 879 S N 0.674 116.408 115.700 0.056 0.000 2.532 879 S HA 0.695 5.166 4.470 0.001 0.000 0.301 879 S C -0.501 173.911 174.600 -0.313 0.000 1.083 879 S CA -0.448 57.711 58.200 -0.068 0.000 1.025 879 S CB 1.068 64.243 63.200 -0.042 0.000 1.056 879 S HN 0.567 nan 8.310 nan 0.000 0.494 880 L N 2.028 122.908 121.223 -0.573 0.000 2.334 880 L HA 0.593 4.934 4.340 0.001 0.000 0.272 880 L C -0.905 175.751 176.870 -0.357 0.000 1.020 880 L CA -0.916 53.556 54.840 -0.613 0.000 0.812 880 L CB 0.845 42.279 42.059 -1.040 0.000 1.264 880 L HN 0.381 nan 8.230 nan 0.000 0.439 881 L N 2.391 123.472 121.223 -0.237 0.000 2.275 881 L HA 0.457 4.797 4.340 0.001 0.000 0.288 881 L C -0.657 176.154 176.870 -0.099 0.000 1.046 881 L CA -0.522 54.270 54.840 -0.080 0.000 0.805 881 L CB 1.633 43.724 42.059 0.053 0.000 1.193 881 L HN 0.261 nan 8.230 nan 0.000 0.426 882 V N 4.829 124.700 119.914 -0.072 0.000 2.409 882 V HA 0.558 4.678 4.120 0.001 0.000 0.291 882 V C -0.578 175.547 176.094 0.052 0.000 1.020 882 V CA -0.538 61.675 62.300 -0.145 0.000 0.848 882 V CB 1.175 32.881 31.823 -0.194 0.000 0.990 882 V HN 0.574 nan 8.190 nan 0.000 0.430 883 F N 1.145 121.016 119.950 -0.132 0.000 2.628 883 F HA 0.678 5.206 4.527 0.001 0.000 0.309 883 F C -0.653 175.083 175.800 -0.107 0.000 1.108 883 F CA -1.206 56.723 58.000 -0.118 0.000 0.971 883 F CB 1.084 39.986 39.000 -0.165 0.000 1.279 883 F HN 0.312 nan 8.300 nan 0.000 0.441 884 D N 1.829 122.283 120.400 0.089 0.000 2.399 884 D HA 0.411 5.052 4.640 0.001 0.000 0.241 884 D C 0.243 176.598 176.300 0.092 0.000 1.133 884 D CA 0.556 54.587 54.000 0.051 0.000 0.890 884 D CB 1.664 42.512 40.800 0.080 0.000 1.201 884 D HN 0.863 nan 8.370 nan 0.000 0.432 885 T N -2.586 112.015 114.554 0.079 0.000 2.887 885 T HA 0.726 5.077 4.350 0.001 0.000 0.292 885 T C -0.382 174.462 174.700 0.239 0.000 1.087 885 T CA -0.893 61.322 62.100 0.190 0.000 1.009 885 T CB 1.729 70.706 68.868 0.181 0.000 1.203 885 T HN 0.317 nan 8.240 nan 0.000 0.518 886 T N -0.925 113.833 114.554 0.340 0.000 2.863 886 T HA 0.749 5.099 4.350 0.001 0.000 0.285 886 T C 0.305 175.104 174.700 0.164 0.000 1.009 886 T CA -0.621 61.597 62.100 0.197 0.000 0.989 886 T CB 1.139 70.103 68.868 0.160 0.000 1.004 886 T HN 1.214 nan 8.240 nan 0.000 0.455 887 A N 1.347 124.216 122.820 0.082 0.000 2.566 887 A HA 0.518 4.839 4.320 0.001 0.000 0.245 887 A C 1.655 179.265 177.584 0.043 0.000 1.056 887 A CA 0.486 52.548 52.037 0.042 0.000 0.757 887 A CB -1.342 17.663 19.000 0.009 0.000 0.979 887 A HN 2.443 nan 8.150 nan 0.000 0.508 888 G N 2.139 110.963 108.800 0.039 0.000 2.175 888 G HA2 -0.187 3.773 3.960 0.001 0.000 0.244 888 G HA3 -0.187 3.773 3.960 0.001 0.000 0.244 888 G C 0.379 175.283 174.900 0.008 0.000 0.982 888 G CA 0.395 45.509 45.100 0.023 0.000 0.641 888 G HN 1.197 nan 8.290 nan 0.000 0.527 889 T N 1.968 116.529 114.554 0.011 0.000 2.845 889 T HA 0.568 4.919 4.350 0.001 0.000 0.288 889 T C 0.152 174.747 174.700 -0.175 0.000 0.980 889 T CA 0.402 62.420 62.100 -0.137 0.000 1.071 889 T CB 1.628 70.360 68.868 -0.227 0.000 0.941 889 T HN 0.187 nan 8.240 nan 0.000 0.487 890 T N 3.780 118.196 114.554 -0.230 0.000 2.749 890 T HA 0.415 4.766 4.350 0.001 0.000 0.287 890 T C -0.753 173.776 174.700 -0.285 0.000 0.970 890 T CA -0.385 61.646 62.100 -0.115 0.000 0.980 890 T CB 0.126 68.986 68.868 -0.013 0.000 0.924 890 T HN 0.382 nan 8.240 nan 0.000 0.456 891 Y N 1.407 121.776 120.300 0.115 0.000 2.323 891 Y HA 0.422 4.973 4.550 0.001 0.000 0.331 891 Y C 1.142 177.066 175.900 0.040 0.000 1.092 891 Y CA -0.784 57.354 58.100 0.064 0.000 1.150 891 Y CB 1.206 39.728 38.460 0.104 0.000 1.200 891 Y HN 0.456 nan 8.280 nan 0.000 0.472 892 T N 5.311 119.938 114.554 0.122 0.000 2.771 892 T HA 0.550 4.901 4.350 0.001 0.000 0.281 892 T C -0.305 174.432 174.700 0.063 0.000 0.982 892 T CA -0.522 61.628 62.100 0.082 0.000 0.978 892 T CB 0.183 69.079 68.868 0.047 0.000 0.930 892 T HN 0.372 nan 8.240 nan 0.000 0.447 893 I N 4.167 124.782 120.570 0.075 0.000 2.362 893 I HA 0.454 4.625 4.170 0.001 0.000 0.289 893 I C 0.462 176.681 176.117 0.170 0.000 0.994 893 I CA -0.644 60.704 61.300 0.080 0.000 1.158 893 I CB 1.531 39.551 38.000 0.033 0.000 1.315 893 I HN 0.655 nan 8.210 nan 0.000 0.451 894 T N 2.148 116.830 114.554 0.213 0.000 2.896 894 T HA 0.446 4.796 4.350 0.001 0.000 0.297 894 T C -0.376 174.411 174.700 0.144 0.000 1.108 894 T CA -1.222 61.009 62.100 0.218 0.000 1.004 894 T CB 1.987 70.909 68.868 0.090 0.000 1.159 894 T HN 0.227 nan 8.240 nan 0.000 0.499 895 K N 1.675 122.024 120.400 -0.084 0.000 2.485 895 K HA 0.113 4.433 4.320 0.001 0.000 0.277 895 K C 0.313 176.798 176.600 -0.192 0.000 0.990 895 K CA -0.022 56.016 56.287 -0.414 0.000 0.994 895 K CB 0.492 32.764 32.500 -0.381 0.000 0.906 895 K HN 0.575 nan 8.250 nan 0.000 0.488 896 K N 1.182 121.466 120.400 -0.193 0.000 2.511 896 K HA -0.014 4.306 4.320 0.001 0.000 0.280 896 K C -0.073 176.480 176.600 -0.078 0.000 1.008 896 K CA 0.109 56.338 56.287 -0.097 0.000 1.050 896 K CB 0.435 32.886 32.500 -0.083 0.000 0.889 896 K HN 0.559 nan 8.250 nan 0.000 0.484 897 A N 2.718 125.508 122.820 -0.050 0.000 2.330 897 A HA 0.402 4.722 4.320 0.001 0.000 0.327 897 A C -0.179 177.386 177.584 -0.031 0.000 1.155 897 A CA -0.613 51.400 52.037 -0.039 0.000 0.803 897 A CB 1.339 20.322 19.000 -0.028 0.000 1.208 897 A HN 0.626 nan 8.150 nan 0.000 0.477 898 S N 0.000 115.683 115.700 -0.029 0.000 2.498 898 S HA 0.000 4.471 4.470 0.001 0.000 0.327 898 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 898 S CB 0.000 63.187 63.200 -0.021 0.000 0.593 898 S HN 0.000 nan 8.310 nan 0.000 0.517