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 1sr6_1_A DATA FIRST_RESID 6 DATA SEQUENCE SDPDFQYLAV DRKKLMKEQT AAFDGKKNCW VPDEKEGFAS AEIQSSKGDE DATA SEQUENCE ITVKIVADSS TRTVKKDDIQ SMNPPKFEKL EDMANMTYLN EASVLYNLRS DATA SEQUENCE RYTSGLIYTY SGLFCIAVNP YRRLPIYTDS VIAKYRGKRK TEIPPHLFSV DATA SEQUENCE ADNAYQNMVT DRENQSCLIT GESGAGKTEN TKKVIMYLAK VACAVXXXXX DATA SEQUENCE XXXXXXXGSL EDQIIQANPV LEAYGNAKTT RNNNSSRFGK FIRIHFGPTG DATA SEQUENCE KIAGADIETY LLEKSRVTYQ QSAERNYHIF YQICSNAIPE LNDVMLVTPD DATA SEQUENCE SGLYSFINQG CLTVDNIDDV EEFKLCDEAF DILGFTKEEK QSMFKCTASI DATA SEQUENCE LHMGEMKFKQ RPREEQAESD GTAEAEKVAF LCGINAGDLL KALLKPKVKV DATA SEQUENCE GTEMVTKGQN MNQVVNSVGA LAKSLYDRMF NWLVRRVNKT LDTKAKRNYY DATA SEQUENCE IGVLDIAGFE IFDFNSFEQL CINYTNERLQ QFFNHHMFIL EQEEYKKEGI DATA SEQUENCE AWEFIDFGMD LQMCIDLIEK PMGILSILEE ECMFPKADDK SFQDKLYQNH DATA SEQUENCE MGKNRMFTKP GKPTRPNQGP AHFELHHYAG NVPYSITGWL EKNKDPINEN DATA SEQUENCE VVALLGASKE PLVAELFKAP EXXXXXXXXX XXXXXXXQTI SAVHRESLNK DATA SEQUENCE LMKNLYSTHP HFVRCIIPNE LKQPGLVDAE LVLHQLQCNG VLEGIRICRK DATA SEQUENCE GFPSRLIYSE FKQRYSILAP NAIPQXXXDG KTVSEKILAG LQMDPAEYRL DATA SEQUENCE GTTKVFFKAG VLGNLEEMRD ERLSKIISMF QAHIRGYLIR KAYKKLQDQR DATA SEQUENCE IGLSVIQRNI RKWLVLRNWQ WWKLYSKVKP LL 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 6 S HA 0.000 nan 4.470 nan 0.000 0.327 6 S C 0.000 174.666 174.600 0.110 0.000 1.055 6 S CA 0.000 58.237 58.200 0.061 0.000 1.107 6 S CB 0.000 63.224 63.200 0.040 0.000 0.593 7 D N 1.304 121.805 120.400 0.168 0.000 2.931 7 D HA 0.467 5.110 4.640 0.005 0.000 0.215 7 D C -2.624 173.771 176.300 0.159 0.000 1.297 7 D CA -1.289 52.827 54.000 0.194 0.000 0.892 7 D CB 2.147 43.155 40.800 0.346 0.000 1.642 7 D HN -0.071 nan 8.370 nan 0.000 0.560 8 P HA -0.113 nan 4.420 nan 0.000 0.216 8 P C 0.599 177.918 177.300 0.032 0.000 1.157 8 P CA 1.016 64.149 63.100 0.056 0.000 0.880 8 P CB 0.347 32.066 31.700 0.032 0.000 0.791 9 D N -1.837 118.519 120.400 -0.073 0.000 2.309 9 D HA -0.091 4.552 4.640 0.005 0.000 0.212 9 D C 1.105 177.280 176.300 -0.209 0.000 0.968 9 D CA 0.921 54.807 54.000 -0.189 0.000 0.882 9 D CB -0.520 40.070 40.800 -0.351 0.000 0.918 9 D HN 0.326 nan 8.370 nan 0.000 0.503 10 F N 0.354 120.358 119.950 0.090 0.000 2.660 10 F HA 0.132 4.664 4.527 0.010 0.000 0.302 10 F C 2.224 178.073 175.800 0.081 0.000 1.103 10 F CA -0.411 57.644 58.000 0.092 0.000 1.340 10 F CB 0.207 39.243 39.000 0.060 0.000 1.048 10 F HN -0.173 nan 8.300 nan 0.000 0.551 11 Q N 0.178 120.118 119.800 0.233 0.000 2.096 11 Q HA -0.232 4.111 4.340 0.005 0.000 0.204 11 Q C 0.642 176.672 176.000 0.049 0.000 0.982 11 Q CA 1.931 57.823 55.803 0.148 0.000 0.850 11 Q CB -0.096 28.761 28.738 0.198 0.000 0.901 11 Q HN 0.499 nan 8.270 nan 0.000 0.422 12 Y N -0.501 119.829 120.300 0.049 0.000 2.658 12 Y HA 0.262 4.818 4.550 0.011 0.000 0.276 12 Y C 0.690 176.614 175.900 0.040 0.000 1.167 12 Y CA -0.153 57.954 58.100 0.012 0.000 1.230 12 Y CB 0.600 39.037 38.460 -0.038 0.000 1.144 12 Y HN 0.108 nan 8.280 nan 0.000 0.529 13 L N -1.323 120.032 121.223 0.218 0.000 2.519 13 L HA 0.504 4.847 4.340 0.005 0.000 0.194 13 L C 0.918 177.870 176.870 0.136 0.000 1.072 13 L CA 0.016 54.998 54.840 0.238 0.000 0.845 13 L CB -0.011 42.320 42.059 0.452 0.000 1.138 13 L HN 0.042 nan 8.230 nan 0.000 0.487 14 A N -0.190 122.693 122.820 0.105 0.000 2.355 14 A HA 0.659 4.982 4.320 0.005 0.000 0.324 14 A C -0.183 177.394 177.584 -0.011 0.000 1.117 14 A CA -0.428 51.614 52.037 0.009 0.000 0.785 14 A CB 1.417 20.372 19.000 -0.076 0.000 1.254 14 A HN -0.083 nan 8.150 nan 0.000 0.453 15 V N 0.459 120.354 119.914 -0.032 0.000 4.635 15 V HA 0.307 4.430 4.120 0.005 0.000 0.272 15 V C -0.403 175.667 176.094 -0.041 0.000 1.265 15 V CA -0.388 61.884 62.300 -0.046 0.000 0.747 15 V CB 0.296 32.089 31.823 -0.049 0.000 1.246 15 V HN 0.832 nan 8.190 nan 0.000 0.404 16 D N -0.012 120.364 120.400 -0.040 0.000 2.381 16 D HA 0.338 4.981 4.640 0.005 0.000 0.235 16 D C 1.098 177.376 176.300 -0.037 0.000 1.068 16 D CA -0.607 53.371 54.000 -0.037 0.000 0.832 16 D CB 1.190 41.971 40.800 -0.032 0.000 1.101 16 D HN 0.367 nan 8.370 nan 0.000 0.515 17 R N 2.966 123.441 120.500 -0.041 0.000 2.127 17 R HA -0.173 4.169 4.340 0.005 0.000 0.238 17 R C 1.374 177.651 176.300 -0.040 0.000 1.134 17 R CA 1.079 57.153 56.100 -0.044 0.000 0.975 17 R CB -0.392 29.879 30.300 -0.048 0.000 0.865 17 R HN 0.238 nan 8.270 nan 0.000 0.447 18 K N 1.505 121.885 120.400 -0.034 0.000 1.975 18 K HA -0.068 4.255 4.320 0.005 0.000 0.210 18 K C 1.864 178.448 176.600 -0.027 0.000 1.041 18 K CA 1.227 57.496 56.287 -0.029 0.000 0.942 18 K CB -0.406 32.080 32.500 -0.024 0.000 0.729 18 K HN 0.092 nan 8.250 nan 0.000 0.439 19 K N 1.027 121.412 120.400 -0.025 0.000 2.520 19 K HA -0.101 4.222 4.320 0.005 0.000 0.197 19 K C 1.661 178.248 176.600 -0.021 0.000 1.043 19 K CA 0.537 56.810 56.287 -0.022 0.000 0.944 19 K CB 0.136 32.622 32.500 -0.024 0.000 0.770 19 K HN 0.189 nan 8.250 nan 0.000 0.480 20 L N -0.162 121.046 121.223 -0.026 0.000 2.515 20 L HA 0.025 4.368 4.340 0.005 0.000 0.223 20 L C 1.914 178.766 176.870 -0.031 0.000 1.079 20 L CA 0.347 55.172 54.840 -0.025 0.000 0.857 20 L CB -0.147 41.895 42.059 -0.028 0.000 1.050 20 L HN 0.190 nan 8.230 nan 0.000 0.476 21 M N -0.152 119.427 119.600 -0.035 0.000 2.447 21 M HA 0.008 4.490 4.480 0.005 0.000 0.264 21 M C 1.031 177.314 176.300 -0.028 0.000 1.095 21 M CA 1.286 56.562 55.300 -0.039 0.000 1.125 21 M CB -0.007 32.568 32.600 -0.042 0.000 1.389 21 M HN -0.226 nan 8.290 nan 0.000 0.459 22 K N 2.433 122.820 120.400 -0.022 0.000 3.173 22 K HA 0.104 4.427 4.320 0.005 0.000 0.255 22 K C -0.202 176.393 176.600 -0.008 0.000 1.235 22 K CA 0.093 56.372 56.287 -0.014 0.000 1.250 22 K CB -0.525 31.967 32.500 -0.013 0.000 1.382 22 K HN 0.343 nan 8.250 nan 0.000 0.421 23 E N 0.690 120.886 120.200 -0.007 0.000 2.751 23 E HA 0.096 4.449 4.350 0.005 0.000 0.219 23 E C -0.163 176.441 176.600 0.006 0.000 1.060 23 E CA -0.259 56.143 56.400 0.004 0.000 0.893 23 E CB 0.494 30.197 29.700 0.006 0.000 1.300 23 E HN 0.078 nan 8.360 nan 0.000 0.433 24 Q N 0.829 120.633 119.800 0.007 0.000 2.198 24 Q HA 0.133 4.475 4.340 0.005 0.000 0.209 24 Q C -0.044 175.965 176.000 0.016 0.000 0.848 24 Q CA 0.018 55.826 55.803 0.009 0.000 0.974 24 Q CB 0.680 29.419 28.738 0.003 0.000 1.115 24 Q HN 0.299 nan 8.270 nan 0.000 0.494 25 T N 1.247 115.813 114.554 0.021 0.000 3.473 25 T HA 0.355 4.707 4.350 0.005 0.000 0.247 25 T C -0.128 174.589 174.700 0.029 0.000 1.010 25 T CA 0.312 62.426 62.100 0.022 0.000 0.940 25 T CB -0.222 68.660 68.868 0.024 0.000 1.068 25 T HN 0.317 nan 8.240 nan 0.000 0.604 26 A N -0.088 122.751 122.820 0.033 0.000 2.611 26 A HA 0.664 4.986 4.320 0.005 0.000 0.302 26 A C -0.175 177.448 177.584 0.065 0.000 0.947 26 A CA -0.572 51.492 52.037 0.046 0.000 0.697 26 A CB -0.278 18.757 19.000 0.059 0.000 1.247 26 A HN 0.346 nan 8.150 nan 0.000 0.403 27 A N 0.711 123.573 122.820 0.070 0.000 3.337 27 A HA 0.992 5.314 4.320 0.005 0.000 0.173 27 A C -0.298 177.409 177.584 0.205 0.000 1.986 27 A CA 0.326 52.420 52.037 0.094 0.000 0.954 27 A CB 0.222 19.256 19.000 0.056 0.000 1.899 27 A HN 2.108 nan 8.150 nan 0.000 0.732 28 F N -1.087 118.849 119.950 -0.023 0.000 2.639 28 F HA 0.425 4.955 4.527 0.005 0.000 0.326 28 F C -1.999 173.788 175.800 -0.021 0.000 1.150 28 F CA -0.774 57.209 58.000 -0.027 0.000 1.057 28 F CB 1.643 40.634 39.000 -0.014 0.000 1.300 28 F HN 0.474 nan 8.300 nan 0.000 0.486 29 D N 3.499 123.539 120.400 -0.600 0.000 2.460 29 D HA 0.388 5.031 4.640 0.005 0.000 0.232 29 D C 1.156 177.114 176.300 -0.570 0.000 1.079 29 D CA 0.265 54.021 54.000 -0.407 0.000 0.864 29 D CB 1.474 42.111 40.800 -0.271 0.000 1.048 29 D HN 0.742 nan 8.370 nan 0.000 0.523 30 G N 3.332 111.968 108.800 -0.275 0.000 2.527 30 G HA2 -0.251 3.712 3.960 0.005 0.000 0.219 30 G HA3 -0.251 3.712 3.960 0.005 0.000 0.219 30 G C 1.272 176.105 174.900 -0.111 0.000 1.117 30 G CA 0.572 45.619 45.100 -0.088 0.000 0.759 30 G HN 0.414 nan 8.290 nan 0.000 0.556 31 K N -0.213 120.104 120.400 -0.140 0.000 2.211 31 K HA 0.145 4.468 4.320 0.005 0.000 0.201 31 K C 1.894 178.405 176.600 -0.148 0.000 1.052 31 K CA 0.621 56.844 56.287 -0.107 0.000 0.973 31 K CB 0.126 32.581 32.500 -0.076 0.000 0.766 31 K HN 0.082 nan 8.250 nan 0.000 0.466 32 K N 0.784 121.052 120.400 -0.219 0.000 2.350 32 K HA 0.137 4.460 4.320 0.005 0.000 0.196 32 K C 0.107 176.541 176.600 -0.277 0.000 1.084 32 K CA 0.179 56.337 56.287 -0.214 0.000 0.967 32 K CB 0.393 32.778 32.500 -0.191 0.000 0.950 32 K HN 0.100 nan 8.250 nan 0.000 0.512 33 N N 0.420 118.856 118.700 -0.439 0.000 2.444 33 N HA 0.267 5.010 4.740 0.005 0.000 0.271 33 N C -0.797 174.485 175.510 -0.380 0.000 1.069 33 N CA -0.393 52.367 53.050 -0.483 0.000 0.965 33 N CB 0.944 38.923 38.487 -0.847 0.000 1.092 33 N HN 0.239 nan 8.380 nan 0.000 0.476 34 C N 0.258 119.338 119.300 -0.367 0.000 3.295 34 C HA 0.530 4.993 4.460 0.005 0.000 0.341 34 C C -1.609 173.152 174.990 -0.382 0.000 1.418 34 C CA -1.457 57.351 59.018 -0.350 0.000 1.240 34 C CB -0.036 27.593 27.740 -0.185 0.000 1.562 34 C HN 0.783 nan 8.230 nan 0.000 0.457 35 W N 0.852 122.107 121.300 -0.075 0.000 2.449 35 W HA 0.691 5.353 4.660 0.005 0.000 0.331 35 W C -0.349 176.220 176.519 0.082 0.000 1.119 35 W CA -0.485 56.842 57.345 -0.030 0.000 1.240 35 W CB 1.662 31.007 29.460 -0.191 0.000 1.251 35 W HN 0.696 nan 8.180 nan 0.000 0.576 36 V N 1.619 121.831 119.914 0.497 0.000 2.841 36 V HA 0.399 4.522 4.120 0.005 0.000 0.310 36 V C -2.482 173.828 176.094 0.360 0.000 1.090 36 V CA -3.045 59.467 62.300 0.354 0.000 0.930 36 V CB 1.746 33.679 31.823 0.184 0.000 1.014 36 V HN 0.298 nan 8.190 nan 0.000 0.425 37 P HA 0.223 nan 4.420 nan 0.000 0.264 37 P C -1.085 176.184 177.300 -0.053 0.000 1.183 37 P CA 0.506 63.554 63.100 -0.087 0.000 0.763 37 P CB 0.364 32.013 31.700 -0.085 0.000 0.807 38 D N 0.366 120.687 120.400 -0.132 0.000 2.964 38 D HA 0.046 4.689 4.640 0.005 0.000 0.234 38 D C 0.906 177.149 176.300 -0.095 0.000 1.223 38 D CA -0.533 53.433 54.000 -0.056 0.000 0.889 38 D CB 1.127 41.938 40.800 0.018 0.000 1.609 38 D HN 0.339 nan 8.370 nan 0.000 0.523 39 E N 3.403 123.565 120.200 -0.064 0.000 2.150 39 E HA -0.207 4.146 4.350 0.005 0.000 0.193 39 E C 0.885 177.451 176.600 -0.056 0.000 0.985 39 E CA 0.841 57.200 56.400 -0.067 0.000 0.814 39 E CB 0.277 29.949 29.700 -0.046 0.000 0.752 39 E HN 0.236 nan 8.360 nan 0.000 0.466 40 K N 0.029 120.410 120.400 -0.032 0.000 2.141 40 K HA 0.016 4.338 4.320 0.005 0.000 0.202 40 K C 1.260 177.854 176.600 -0.010 0.000 1.045 40 K CA 0.682 56.959 56.287 -0.017 0.000 0.971 40 K CB 0.415 32.917 32.500 0.002 0.000 0.795 40 K HN 0.057 nan 8.250 nan 0.000 0.459 41 E N -0.146 120.058 120.200 0.006 0.000 2.451 41 E HA 0.139 4.492 4.350 0.005 0.000 0.194 41 E C 0.961 177.563 176.600 0.004 0.000 1.027 41 E CA 0.252 56.670 56.400 0.031 0.000 0.914 41 E CB 0.659 30.412 29.700 0.088 0.000 1.054 41 E HN 0.479 nan 8.360 nan 0.000 0.461 42 G N 1.033 109.782 108.800 -0.085 0.000 3.639 42 G HA2 -0.350 3.613 3.960 0.005 0.000 0.224 42 G HA3 -0.350 3.613 3.960 0.005 0.000 0.224 42 G C 0.254 174.887 174.900 -0.446 0.000 1.339 42 G CA 0.810 45.770 45.100 -0.233 0.000 0.933 42 G HN 0.296 nan 8.290 nan 0.000 0.568 43 F N 0.622 120.560 119.950 -0.020 0.000 2.675 43 F HA 0.820 5.350 4.527 0.004 0.000 0.324 43 F C 0.321 176.220 175.800 0.165 0.000 1.106 43 F CA -0.201 57.818 58.000 0.032 0.000 0.970 43 F CB 2.267 41.186 39.000 -0.134 0.000 1.385 43 F HN 0.792 nan 8.300 nan 0.000 0.489 44 A N 0.724 123.903 122.820 0.600 0.000 2.517 44 A HA 0.569 4.892 4.320 0.005 0.000 0.297 44 A C -0.983 176.882 177.584 0.468 0.000 1.050 44 A CA -0.664 51.667 52.037 0.490 0.000 0.694 44 A CB 1.429 20.579 19.000 0.250 0.000 1.277 44 A HN 0.606 nan 8.150 nan 0.000 0.400 45 S N 0.575 116.422 115.700 0.246 0.000 2.562 45 S HA 0.601 5.074 4.470 0.005 0.000 0.281 45 S C 0.262 174.793 174.600 -0.116 0.000 1.333 45 S CA 0.589 58.636 58.200 -0.254 0.000 1.052 45 S CB 0.299 63.321 63.200 -0.297 0.000 0.884 45 S HN 2.178 nan 8.310 nan 0.000 0.506 46 A N 3.860 126.564 122.820 -0.193 0.000 2.587 46 A HA 0.686 5.008 4.320 0.005 0.000 0.293 46 A C -1.211 176.282 177.584 -0.152 0.000 1.087 46 A CA -0.751 51.218 52.037 -0.114 0.000 0.692 46 A CB 1.361 20.331 19.000 -0.050 0.000 1.291 46 A HN 0.760 nan 8.150 nan 0.000 0.407 47 E N 1.241 121.375 120.200 -0.111 0.000 2.141 47 E HA 0.478 4.831 4.350 0.005 0.000 0.259 47 E C -0.599 175.946 176.600 -0.091 0.000 0.883 47 E CA -0.323 56.005 56.400 -0.120 0.000 0.744 47 E CB 0.861 30.502 29.700 -0.099 0.000 1.150 47 E HN 0.574 nan 8.360 nan 0.000 0.420 48 I N 3.012 123.523 120.570 -0.099 0.000 2.872 48 I HA -0.143 4.029 4.170 0.005 0.000 0.291 48 I C 1.149 177.230 176.117 -0.060 0.000 1.216 48 I CA 0.463 61.720 61.300 -0.071 0.000 1.424 48 I CB 0.569 38.525 38.000 -0.074 0.000 1.351 48 I HN 0.644 nan 8.210 nan 0.000 0.592 49 Q N 3.997 123.772 119.800 -0.043 0.000 2.612 49 Q HA 0.146 4.489 4.340 0.005 0.000 0.193 49 Q C 0.143 176.124 176.000 -0.030 0.000 0.828 49 Q CA 0.586 56.367 55.803 -0.036 0.000 0.851 49 Q CB 0.473 29.194 28.738 -0.028 0.000 1.178 49 Q HN 0.849 nan 8.270 nan 0.000 0.634 50 S N -0.918 114.768 115.700 -0.024 0.000 2.704 50 S HA 0.880 5.352 4.470 0.005 0.000 0.296 50 S C -0.958 173.632 174.600 -0.017 0.000 1.138 50 S CA -0.218 57.970 58.200 -0.020 0.000 0.875 50 S CB 1.644 64.835 63.200 -0.015 0.000 1.151 50 S HN 0.413 nan 8.310 nan 0.000 0.500 51 S N -0.220 115.472 115.700 -0.014 0.000 2.548 51 S HA 0.631 5.103 4.470 0.005 0.000 0.276 51 S C -1.281 173.315 174.600 -0.007 0.000 1.129 51 S CA -1.011 57.182 58.200 -0.010 0.000 0.931 51 S CB 1.375 64.568 63.200 -0.012 0.000 1.068 51 S HN 0.726 nan 8.310 nan 0.000 0.480 52 K N 1.855 122.253 120.400 -0.004 0.000 2.954 52 K HA 0.516 4.839 4.320 0.005 0.000 0.171 52 K C 0.745 177.344 176.600 -0.000 0.000 1.079 52 K CA -0.041 56.245 56.287 -0.003 0.000 0.908 52 K CB 0.562 33.061 32.500 -0.002 0.000 1.142 52 K HN 1.153 nan 8.250 nan 0.000 0.613 53 G N 1.599 110.398 108.800 -0.000 0.000 3.298 53 G HA2 -0.277 3.686 3.960 0.005 0.000 0.260 53 G HA3 -0.277 3.686 3.960 0.005 0.000 0.260 53 G C 0.278 175.180 174.900 0.003 0.000 1.681 53 G CA 0.140 45.241 45.100 0.002 0.000 1.094 53 G HN 0.459 nan 8.290 nan 0.000 0.575 54 D N 2.069 122.471 120.400 0.005 0.000 2.433 54 D HA 0.261 4.904 4.640 0.005 0.000 0.211 54 D C 0.309 176.613 176.300 0.006 0.000 1.114 54 D CA 0.181 54.185 54.000 0.007 0.000 0.837 54 D CB 0.410 41.215 40.800 0.009 0.000 0.984 54 D HN 0.520 nan 8.370 nan 0.000 0.505 55 E N 1.305 121.508 120.200 0.004 0.000 2.028 55 E HA 0.165 4.518 4.350 0.005 0.000 0.266 55 E C -0.049 176.551 176.600 0.001 0.000 0.962 55 E CA -0.409 55.993 56.400 0.004 0.000 0.784 55 E CB 1.485 31.186 29.700 0.003 0.000 1.114 55 E HN 0.044 nan 8.360 nan 0.000 0.414 56 I N 2.368 122.939 120.570 0.001 0.000 2.440 56 I HA 0.177 4.349 4.170 0.005 0.000 0.294 56 I C 0.657 176.772 176.117 -0.004 0.000 0.995 56 I CA -0.210 61.087 61.300 -0.004 0.000 1.306 56 I CB 1.390 39.387 38.000 -0.005 0.000 1.407 56 I HN 0.247 nan 8.210 nan 0.000 0.501 57 T N 5.761 120.310 114.554 -0.009 0.000 2.855 57 T HA 0.718 5.071 4.350 0.005 0.000 0.281 57 T C -0.089 174.602 174.700 -0.016 0.000 1.007 57 T CA -0.558 61.537 62.100 -0.009 0.000 1.009 57 T CB 2.094 70.956 68.868 -0.010 0.000 0.983 57 T HN 0.522 nan 8.240 nan 0.000 0.455 58 V N -0.221 119.686 119.914 -0.013 0.000 3.202 58 V HA 0.762 4.885 4.120 0.005 0.000 0.306 58 V C -1.643 174.441 176.094 -0.017 0.000 1.283 58 V CA -1.387 60.900 62.300 -0.021 0.000 1.065 58 V CB 2.150 33.960 31.823 -0.021 0.000 1.079 58 V HN 0.758 nan 8.190 nan 0.000 0.448 59 K N 1.837 122.221 120.400 -0.026 0.000 2.345 59 K HA 0.667 4.990 4.320 0.005 0.000 0.255 59 K C -1.315 175.274 176.600 -0.019 0.000 0.934 59 K CA -0.793 55.482 56.287 -0.019 0.000 0.801 59 K CB 2.196 34.681 32.500 -0.025 0.000 1.137 59 K HN 0.619 nan 8.250 nan 0.000 0.424 60 I N 3.782 124.350 120.570 -0.003 0.000 2.291 60 I HA 0.011 4.184 4.170 0.005 0.000 0.292 60 I C 1.687 177.807 176.117 0.005 0.000 1.064 60 I CA -0.204 61.101 61.300 0.008 0.000 1.269 60 I CB 0.538 38.556 38.000 0.030 0.000 1.418 60 I HN 0.479 nan 8.210 nan 0.000 0.485 61 V N 5.952 125.862 119.914 -0.008 0.000 2.363 61 V HA -0.373 3.750 4.120 0.005 0.000 0.254 61 V C 2.511 178.615 176.094 0.016 0.000 1.074 61 V CA 2.546 64.843 62.300 -0.004 0.000 1.069 61 V CB -0.844 30.971 31.823 -0.014 0.000 0.659 61 V HN 0.940 nan 8.190 nan 0.000 0.455 62 A N 1.575 124.414 122.820 0.033 0.000 1.824 62 A HA -0.258 4.065 4.320 0.005 0.000 0.215 62 A C 1.896 179.499 177.584 0.031 0.000 1.209 62 A CA 2.178 54.240 52.037 0.042 0.000 0.614 62 A CB -0.894 18.142 19.000 0.061 0.000 0.852 62 A HN 0.730 nan 8.150 nan 0.000 0.447 63 D N -2.437 117.980 120.400 0.029 0.000 2.349 63 D HA 0.158 4.800 4.640 0.005 0.000 0.215 63 D C 0.686 176.995 176.300 0.014 0.000 1.016 63 D CA 0.971 54.984 54.000 0.021 0.000 0.870 63 D CB 0.062 40.876 40.800 0.022 0.000 0.917 63 D HN 0.283 nan 8.370 nan 0.000 0.524 64 S N -1.134 114.573 115.700 0.012 0.000 3.561 64 S HA -0.248 4.225 4.470 0.005 0.000 0.318 64 S C 0.654 175.255 174.600 0.003 0.000 1.181 64 S CA 0.639 58.842 58.200 0.004 0.000 0.916 64 S CB -2.044 61.158 63.200 0.003 0.000 0.966 64 S HN 0.730 nan 8.310 nan 0.000 0.550 65 S N -0.274 115.430 115.700 0.006 0.000 2.397 65 S HA 0.816 5.289 4.470 0.005 0.000 0.261 65 S C 0.224 174.825 174.600 0.002 0.000 1.187 65 S CA 0.130 58.333 58.200 0.004 0.000 1.023 65 S CB 1.199 64.403 63.200 0.008 0.000 1.103 65 S HN 0.537 nan 8.310 nan 0.000 0.474 66 T N 1.187 115.742 114.554 0.003 0.000 3.032 66 T HA 0.648 5.000 4.350 0.005 0.000 0.312 66 T C -1.178 173.524 174.700 0.004 0.000 1.078 66 T CA -0.815 61.285 62.100 0.001 0.000 1.028 66 T CB 1.436 70.302 68.868 -0.003 0.000 1.091 66 T HN 0.844 nan 8.240 nan 0.000 0.457 67 R N 0.427 120.930 120.500 0.005 0.000 2.774 67 R HA 0.825 5.168 4.340 0.005 0.000 0.272 67 R C -1.339 174.965 176.300 0.007 0.000 1.000 67 R CA -1.022 55.083 56.100 0.008 0.000 0.906 67 R CB 1.249 31.557 30.300 0.013 0.000 1.227 67 R HN 0.396 nan 8.270 nan 0.000 0.468 68 T N 1.839 116.398 114.554 0.007 0.000 2.758 68 T HA 0.436 4.789 4.350 0.005 0.000 0.285 68 T C -0.310 174.397 174.700 0.011 0.000 0.981 68 T CA -0.633 61.471 62.100 0.007 0.000 0.965 68 T CB 1.200 70.070 68.868 0.004 0.000 0.927 68 T HN 0.487 nan 8.240 nan 0.000 0.448 69 V N 1.543 121.465 119.914 0.014 0.000 2.960 69 V HA 0.702 4.825 4.120 0.005 0.000 0.315 69 V C -0.575 175.530 176.094 0.019 0.000 1.087 69 V CA -1.428 60.884 62.300 0.021 0.000 0.982 69 V CB 1.691 33.534 31.823 0.034 0.000 1.039 69 V HN 0.670 nan 8.190 nan 0.000 0.437 70 K N 1.872 122.286 120.400 0.023 0.000 2.322 70 K HA 0.257 4.579 4.320 0.005 0.000 0.283 70 K C 0.921 177.536 176.600 0.024 0.000 1.042 70 K CA -0.198 56.102 56.287 0.021 0.000 0.958 70 K CB 1.127 33.640 32.500 0.022 0.000 0.984 70 K HN 0.804 nan 8.250 nan 0.000 0.473 71 K N 2.658 123.068 120.400 0.017 0.000 2.228 71 K HA -0.224 4.098 4.320 0.005 0.000 0.205 71 K C 0.414 177.026 176.600 0.021 0.000 1.045 71 K CA 1.941 58.236 56.287 0.014 0.000 0.931 71 K CB 0.140 32.645 32.500 0.008 0.000 0.727 71 K HN 0.630 nan 8.250 nan 0.000 0.458 72 D N 0.052 120.468 120.400 0.026 0.000 2.323 72 D HA -0.104 4.539 4.640 0.005 0.000 0.209 72 D C 0.744 177.072 176.300 0.047 0.000 0.973 72 D CA 0.506 54.526 54.000 0.032 0.000 0.874 72 D CB 0.015 40.833 40.800 0.030 0.000 0.930 72 D HN 0.242 nan 8.370 nan 0.000 0.521 73 D N 0.630 121.063 120.400 0.055 0.000 2.354 73 D HA 0.134 4.777 4.640 0.005 0.000 0.209 73 D C 0.988 177.359 176.300 0.119 0.000 1.015 73 D CA -0.051 54.000 54.000 0.085 0.000 0.867 73 D CB 1.008 41.852 40.800 0.072 0.000 0.933 73 D HN 0.285 nan 8.370 nan 0.000 0.520 74 I N 1.434 122.053 120.570 0.082 0.000 2.575 74 I HA 0.041 4.214 4.170 0.005 0.000 0.285 74 I C 0.525 176.678 176.117 0.060 0.000 1.085 74 I CA 0.111 61.459 61.300 0.081 0.000 1.403 74 I CB 0.668 38.685 38.000 0.029 0.000 1.409 74 I HN -0.324 nan 8.210 nan 0.000 0.557 75 Q N 4.115 123.959 119.800 0.074 0.000 2.353 75 Q HA 0.374 4.717 4.340 0.005 0.000 0.268 75 Q C -0.777 175.212 176.000 -0.019 0.000 1.045 75 Q CA -0.769 55.041 55.803 0.010 0.000 0.811 75 Q CB 2.418 31.126 28.738 -0.050 0.000 1.305 75 Q HN 0.636 nan 8.270 nan 0.000 0.447 76 S N 2.065 117.655 115.700 -0.183 0.000 2.558 76 S HA 0.086 4.559 4.470 0.005 0.000 0.287 76 S C -0.150 174.352 174.600 -0.164 0.000 1.321 76 S CA 0.276 58.208 58.200 -0.447 0.000 1.048 76 S CB 0.284 62.735 63.200 -1.248 0.000 0.844 76 S HN 0.522 nan 8.310 nan 0.000 0.512 77 M N 3.247 122.759 119.600 -0.147 0.000 2.311 77 M HA 0.306 4.788 4.480 0.005 0.000 0.325 77 M C -0.782 175.726 176.300 0.347 0.000 1.061 77 M CA -0.659 54.669 55.300 0.047 0.000 0.957 77 M CB 0.834 33.253 32.600 -0.301 0.000 1.646 77 M HN 0.498 nan 8.290 nan 0.000 0.434 78 N N 4.950 123.847 118.700 0.328 0.000 2.525 78 N HA 0.361 5.104 4.740 0.005 0.000 0.271 78 N C -2.567 172.869 175.510 -0.124 0.000 1.194 78 N CA -0.857 52.354 53.050 0.268 0.000 0.964 78 N CB 0.663 39.289 38.487 0.232 0.000 1.126 78 N HN 0.420 nan 8.380 nan 0.000 0.452 79 P HA 0.138 nan 4.420 nan 0.000 0.271 79 P C -1.770 175.281 177.300 -0.415 0.000 1.233 79 P CA -0.871 61.782 63.100 -0.745 0.000 0.789 79 P CB 0.152 31.724 31.700 -0.213 0.000 0.951 80 P HA -0.179 nan 4.420 nan 0.000 0.223 80 P C 0.976 178.191 177.300 -0.142 0.000 1.144 80 P CA 1.544 64.529 63.100 -0.191 0.000 0.783 80 P CB -0.215 31.403 31.700 -0.137 0.000 0.771 81 K N -1.207 119.041 120.400 -0.254 0.000 2.486 81 K HA -0.009 4.314 4.320 0.005 0.000 0.194 81 K C 0.618 176.946 176.600 -0.453 0.000 1.033 81 K CA 0.881 56.947 56.287 -0.368 0.000 1.004 81 K CB -0.630 31.565 32.500 -0.509 0.000 0.798 81 K HN 0.135 nan 8.250 nan 0.000 0.495 82 F N 1.961 121.891 119.950 -0.032 0.000 2.684 82 F HA 0.255 4.785 4.527 0.004 0.000 0.298 82 F C 0.084 175.914 175.800 0.050 0.000 1.120 82 F CA -0.894 57.113 58.000 0.012 0.000 1.332 82 F CB 0.436 39.450 39.000 0.023 0.000 0.986 82 F HN -0.087 nan 8.300 nan 0.000 0.524 83 E N 1.757 122.048 120.200 0.151 0.000 2.376 83 E HA -0.008 4.345 4.350 0.005 0.000 0.266 83 E C 0.428 177.076 176.600 0.080 0.000 1.009 83 E CA 0.080 56.562 56.400 0.137 0.000 0.902 83 E CB 0.422 30.176 29.700 0.089 0.000 0.972 83 E HN 0.311 nan 8.360 nan 0.000 0.439 84 K N 0.790 121.217 120.400 0.045 0.000 3.156 84 K HA -0.244 4.079 4.320 0.005 0.000 0.266 84 K C 0.135 176.764 176.600 0.048 0.000 0.966 84 K CA 0.027 56.322 56.287 0.013 0.000 0.719 84 K CB -1.418 31.074 32.500 -0.014 0.000 1.333 84 K HN 0.260 nan 8.250 nan 0.000 0.468 85 L N 1.506 122.787 121.223 0.096 0.000 2.456 85 L HA -0.011 4.331 4.340 0.005 0.000 0.272 85 L C 1.678 178.605 176.870 0.095 0.000 1.189 85 L CA 0.544 55.457 54.840 0.122 0.000 0.846 85 L CB 0.644 42.819 42.059 0.193 0.000 1.111 85 L HN 0.180 nan 8.230 nan 0.000 0.475 86 E N 1.471 121.730 120.200 0.098 0.000 2.072 86 E HA -0.118 4.234 4.350 0.005 0.000 0.191 86 E C -0.220 176.479 176.600 0.165 0.000 0.985 86 E CA 1.019 57.476 56.400 0.094 0.000 0.801 86 E CB 0.124 29.889 29.700 0.108 0.000 0.750 86 E HN 0.575 nan 8.360 nan 0.000 0.452 87 D N -0.396 120.127 120.400 0.204 0.000 2.462 87 D HA 0.168 4.810 4.640 0.005 0.000 0.245 87 D C 0.390 176.788 176.300 0.163 0.000 1.122 87 D CA -0.228 53.918 54.000 0.243 0.000 0.864 87 D CB 0.933 41.880 40.800 0.245 0.000 1.098 87 D HN -0.126 nan 8.370 nan 0.000 0.541 88 M N 2.041 121.729 119.600 0.147 0.000 2.706 88 M HA -0.009 4.473 4.480 0.005 0.000 0.251 88 M C 1.428 177.771 176.300 0.072 0.000 1.070 88 M CA 0.415 55.773 55.300 0.097 0.000 1.073 88 M CB 0.154 32.808 32.600 0.090 0.000 1.449 88 M HN 0.410 nan 8.290 nan 0.000 0.531 89 A N 0.062 122.937 122.820 0.092 0.000 2.302 89 A HA 0.076 4.398 4.320 0.005 0.000 0.219 89 A C 1.347 178.953 177.584 0.037 0.000 1.243 89 A CA 0.426 52.503 52.037 0.066 0.000 0.856 89 A CB -0.312 18.732 19.000 0.074 0.000 0.893 89 A HN 0.462 nan 8.150 nan 0.000 0.491 90 N N -0.885 117.833 118.700 0.029 0.000 2.210 90 N HA 0.160 4.903 4.740 0.005 0.000 0.203 90 N C -0.048 175.385 175.510 -0.129 0.000 1.175 90 N CA 0.016 53.076 53.050 0.016 0.000 0.894 90 N CB 0.084 38.630 38.487 0.098 0.000 1.041 90 N HN 0.444 nan 8.380 nan 0.000 0.506 91 M N 1.346 120.815 119.600 -0.219 0.000 2.327 91 M HA -0.004 4.479 4.480 0.005 0.000 0.353 91 M C 1.400 177.364 176.300 -0.560 0.000 1.539 91 M CA 0.392 55.342 55.300 -0.584 0.000 1.039 91 M CB 0.330 32.764 32.600 -0.276 0.000 1.967 91 M HN -0.046 nan 8.290 nan 0.000 0.459 92 T N 2.068 116.060 114.554 -0.937 0.000 2.649 92 T HA -0.184 4.169 4.350 0.005 0.000 0.268 92 T C -0.030 174.414 174.700 -0.427 0.000 1.036 92 T CA 1.731 63.485 62.100 -0.576 0.000 1.157 92 T CB -0.189 68.327 68.868 -0.588 0.000 0.861 92 T HN 0.425 nan 8.240 nan 0.000 0.445 93 Y N 0.430 120.624 120.300 -0.178 0.000 2.356 93 Y HA 0.544 5.097 4.550 0.004 0.000 0.334 93 Y C -0.357 175.508 175.900 -0.058 0.000 0.958 93 Y CA -1.937 56.127 58.100 -0.061 0.000 1.196 93 Y CB 0.814 39.278 38.460 0.006 0.000 1.137 93 Y HN 0.002 nan 8.280 nan 0.000 0.485 94 L N 6.545 127.839 121.223 0.118 0.000 2.297 94 L HA 0.487 4.830 4.340 0.005 0.000 0.277 94 L C -0.933 175.967 176.870 0.051 0.000 1.040 94 L CA -0.190 54.685 54.840 0.059 0.000 0.867 94 L CB -0.480 41.604 42.059 0.042 0.000 1.244 94 L HN 0.809 nan 8.230 nan 0.000 0.433 95 N N 0.628 119.338 118.700 0.016 0.000 3.204 95 N HA 0.319 5.062 4.740 0.005 0.000 0.285 95 N C 0.293 175.747 175.510 -0.092 0.000 1.536 95 N CA -0.738 52.295 53.050 -0.027 0.000 0.832 95 N CB 0.412 38.874 38.487 -0.042 0.000 1.645 95 N HN 0.246 nan 8.380 nan 0.000 0.586 96 E N -0.346 119.790 120.200 -0.107 0.000 2.035 96 E HA -0.296 4.056 4.350 0.005 0.000 0.204 96 E C 1.745 178.167 176.600 -0.297 0.000 1.025 96 E CA 2.367 58.706 56.400 -0.100 0.000 0.835 96 E CB -0.422 29.308 29.700 0.050 0.000 0.764 96 E HN 0.607 nan 8.360 nan 0.000 0.457 97 A N 0.950 123.282 122.820 -0.814 0.000 1.877 97 A HA -0.230 4.093 4.320 0.005 0.000 0.216 97 A C 2.310 179.396 177.584 -0.830 0.000 1.186 97 A CA 2.343 53.589 52.037 -1.318 0.000 0.620 97 A CB -0.892 16.790 19.000 -2.198 0.000 0.822 97 A HN 0.391 nan 8.150 nan 0.000 0.443 98 S N -0.526 114.897 115.700 -0.462 0.000 2.383 98 S HA -0.135 4.338 4.470 0.005 0.000 0.229 98 S C 1.760 176.341 174.600 -0.031 0.000 1.030 98 S CA 1.673 59.820 58.200 -0.089 0.000 1.002 98 S CB -0.799 62.445 63.200 0.073 0.000 0.829 98 S HN 0.248 nan 8.310 nan 0.000 0.467 99 V N 1.513 121.377 119.914 -0.084 0.000 2.407 99 V HA -0.007 4.116 4.120 0.005 0.000 0.245 99 V C 2.463 178.527 176.094 -0.050 0.000 1.041 99 V CA 1.486 63.765 62.300 -0.035 0.000 1.040 99 V CB -0.695 31.110 31.823 -0.030 0.000 0.671 99 V HN 0.552 nan 8.190 nan 0.000 0.455 100 L N -0.284 120.880 121.223 -0.097 0.000 2.042 100 L HA -0.223 4.120 4.340 0.005 0.000 0.210 100 L C 2.277 179.111 176.870 -0.060 0.000 1.076 100 L CA 2.322 57.118 54.840 -0.073 0.000 0.749 100 L CB -0.956 41.072 42.059 -0.052 0.000 0.893 100 L HN 0.460 nan 8.230 nan 0.000 0.432 101 Y N 0.269 120.429 120.300 -0.234 0.000 2.163 101 Y HA -0.224 4.329 4.550 0.006 0.000 0.288 101 Y C 2.608 178.506 175.900 -0.004 0.000 1.136 101 Y CA 2.002 60.020 58.100 -0.138 0.000 1.147 101 Y CB -0.506 37.855 38.460 -0.165 0.000 0.987 101 Y HN 0.402 nan 8.280 nan 0.000 0.509 102 N N 0.526 119.207 118.700 -0.032 0.000 2.166 102 N HA -0.172 4.571 4.740 0.005 0.000 0.186 102 N C 1.825 177.277 175.510 -0.097 0.000 1.019 102 N CA 1.529 54.538 53.050 -0.069 0.000 0.856 102 N CB -0.396 38.120 38.487 0.047 0.000 0.993 102 N HN 0.485 nan 8.380 nan 0.000 0.426 103 L N 0.134 121.315 121.223 -0.070 0.000 2.044 103 L HA -0.066 4.277 4.340 0.005 0.000 0.205 103 L C 2.671 179.517 176.870 -0.040 0.000 1.075 103 L CA 0.845 55.652 54.840 -0.054 0.000 0.747 103 L CB -0.452 41.570 42.059 -0.062 0.000 0.903 103 L HN 0.222 nan 8.230 nan 0.000 0.435 104 R N -0.003 120.458 120.500 -0.064 0.000 2.097 104 R HA -0.187 4.156 4.340 0.005 0.000 0.236 104 R C 2.449 178.718 176.300 -0.051 0.000 1.135 104 R CA 2.181 58.270 56.100 -0.017 0.000 0.934 104 R CB -0.204 30.076 30.300 -0.033 0.000 0.846 104 R HN 0.253 nan 8.270 nan 0.000 0.431 105 S N 0.321 115.884 115.700 -0.227 0.000 2.359 105 S HA -0.182 4.291 4.470 0.005 0.000 0.223 105 S C 1.891 176.426 174.600 -0.108 0.000 1.039 105 S CA 1.637 59.697 58.200 -0.233 0.000 1.042 105 S CB -0.310 62.634 63.200 -0.427 0.000 0.915 105 S HN 0.415 nan 8.310 nan 0.000 0.439 106 R N -0.600 119.854 120.500 -0.076 0.000 2.096 106 R HA -0.092 4.250 4.340 0.005 0.000 0.235 106 R C 2.253 178.562 176.300 0.015 0.000 1.127 106 R CA 1.555 57.636 56.100 -0.031 0.000 0.968 106 R CB -0.429 29.861 30.300 -0.017 0.000 0.861 106 R HN 0.561 nan 8.270 nan 0.000 0.440 107 Y N 1.523 121.770 120.300 -0.089 0.000 2.163 107 Y HA -0.248 4.304 4.550 0.003 0.000 0.288 107 Y C 2.581 178.452 175.900 -0.048 0.000 1.136 107 Y CA 1.838 59.896 58.100 -0.070 0.000 1.147 107 Y CB -0.137 38.285 38.460 -0.064 0.000 0.987 107 Y HN 0.127 nan 8.280 nan 0.000 0.509 108 T N -3.005 111.468 114.554 -0.135 0.000 2.929 108 T HA -0.129 4.224 4.350 0.005 0.000 0.271 108 T C 1.654 176.243 174.700 -0.185 0.000 1.085 108 T CA 1.348 63.324 62.100 -0.206 0.000 1.125 108 T CB -0.500 68.318 68.868 -0.082 0.000 0.874 108 T HN 0.234 nan 8.240 nan 0.000 0.494 109 S N 0.347 115.959 115.700 -0.147 0.000 2.593 109 S HA 0.446 4.919 4.470 0.005 0.000 0.217 109 S C 1.832 176.318 174.600 -0.191 0.000 0.966 109 S CA 0.285 58.397 58.200 -0.146 0.000 0.914 109 S CB -0.201 62.932 63.200 -0.113 0.000 0.776 109 S HN 0.958 nan 8.310 nan 0.000 0.523 110 G N 1.173 109.865 108.800 -0.181 0.000 2.213 110 G HA2 -0.210 3.752 3.960 0.005 0.000 0.236 110 G HA3 -0.210 3.752 3.960 0.005 0.000 0.236 110 G C 0.026 174.938 174.900 0.021 0.000 0.991 110 G CA -0.313 44.734 45.100 -0.089 0.000 0.629 110 G HN 0.450 nan 8.290 nan 0.000 0.517 111 L N 1.773 122.980 121.223 -0.027 0.000 2.360 111 L HA 0.524 4.867 4.340 0.005 0.000 0.276 111 L C 1.941 178.815 176.870 0.008 0.000 1.121 111 L CA 0.019 54.861 54.840 0.002 0.000 0.845 111 L CB 0.700 42.752 42.059 -0.011 0.000 1.143 111 L HN 0.380 nan 8.230 nan 0.000 0.452 112 I N -1.463 119.039 120.570 -0.115 0.000 4.187 112 I HA 0.165 4.338 4.170 0.005 0.000 0.326 112 I C -0.155 175.708 176.117 -0.422 0.000 1.302 112 I CA -0.136 61.016 61.300 -0.246 0.000 1.196 112 I CB 0.387 38.140 38.000 -0.412 0.000 1.095 112 I HN 0.276 nan 8.210 nan 0.000 0.411 113 Y N 2.597 122.826 120.300 -0.118 0.000 2.326 113 Y HA 0.641 5.192 4.550 0.002 0.000 0.337 113 Y C -0.122 175.658 175.900 -0.200 0.000 1.023 113 Y CA -0.732 57.262 58.100 -0.177 0.000 1.143 113 Y CB 1.617 39.919 38.460 -0.263 0.000 1.183 113 Y HN -0.052 nan 8.280 nan 0.000 0.485 114 T N 3.303 117.841 114.554 -0.027 0.000 3.032 114 T HA 0.381 4.734 4.350 0.005 0.000 0.312 114 T C -1.157 173.544 174.700 0.001 0.000 1.078 114 T CA -0.870 61.184 62.100 -0.076 0.000 1.028 114 T CB 0.649 69.513 68.868 -0.006 0.000 1.091 114 T HN 0.178 nan 8.240 nan 0.000 0.457 115 Y N 1.031 121.417 120.300 0.144 0.000 2.340 115 Y HA 0.664 5.216 4.550 0.004 0.000 0.327 115 Y C 1.233 177.223 175.900 0.150 0.000 1.321 115 Y CA -1.198 56.997 58.100 0.158 0.000 1.433 115 Y CB 1.062 39.608 38.460 0.143 0.000 1.373 115 Y HN 0.634 nan 8.280 nan 0.000 0.538 116 S N 0.225 116.152 115.700 0.378 0.000 2.835 116 S HA 0.467 4.940 4.470 0.005 0.000 0.140 116 S C -0.071 174.682 174.600 0.254 0.000 1.131 116 S CA 0.250 58.616 58.200 0.277 0.000 1.110 116 S CB -0.937 62.426 63.200 0.272 0.000 1.683 116 S HN 1.466 nan 8.310 nan 0.000 0.473 117 G N 3.122 112.022 108.800 0.167 0.000 2.527 117 G HA2 -0.266 3.696 3.960 0.005 0.000 0.262 117 G HA3 -0.266 3.696 3.960 0.005 0.000 0.262 117 G C 0.599 175.526 174.900 0.045 0.000 1.153 117 G CA 0.107 45.253 45.100 0.076 0.000 0.954 117 G HN 0.876 nan 8.290 nan 0.000 0.552 118 L N 0.514 121.726 121.223 -0.018 0.000 2.156 118 L HA 0.266 4.609 4.340 0.005 0.000 0.208 118 L C 1.829 178.783 176.870 0.140 0.000 1.095 118 L CA 0.347 55.199 54.840 0.021 0.000 0.770 118 L CB -0.431 41.618 42.059 -0.016 0.000 0.914 118 L HN 0.280 nan 8.230 nan 0.000 0.439 119 F N -0.522 119.573 119.950 0.242 0.000 2.496 119 F HA 0.015 4.544 4.527 0.004 0.000 0.344 119 F C 0.628 176.606 175.800 0.297 0.000 1.155 119 F CA -0.425 57.710 58.000 0.225 0.000 1.302 119 F CB 0.684 39.739 39.000 0.091 0.000 1.159 119 F HN -0.076 nan 8.300 nan 0.000 0.595 120 C N 5.766 125.389 119.300 0.539 0.000 2.653 120 C HA 0.556 5.019 4.460 0.005 0.000 0.291 120 C C -0.242 174.932 174.990 0.306 0.000 1.064 120 C CA -0.914 58.388 59.018 0.473 0.000 1.469 120 C CB -1.605 26.400 27.740 0.442 0.000 1.861 120 C HN 0.636 nan 8.230 nan 0.000 0.434 121 I N 4.648 125.350 120.570 0.219 0.000 2.529 121 I HA 0.451 4.623 4.170 0.005 0.000 0.284 121 I C 0.770 176.940 176.117 0.089 0.000 1.082 121 I CA 0.820 62.176 61.300 0.095 0.000 1.406 121 I CB 1.060 39.073 38.000 0.022 0.000 1.405 121 I HN 0.758 nan 8.210 nan 0.000 0.548 122 A N 6.481 129.317 122.820 0.027 0.000 2.357 122 A HA 0.699 5.021 4.320 0.005 0.000 0.295 122 A C -0.865 176.612 177.584 -0.179 0.000 1.121 122 A CA -0.535 51.459 52.037 -0.073 0.000 0.742 122 A CB 0.968 20.021 19.000 0.089 0.000 1.181 122 A HN 0.398 nan 8.150 nan 0.000 0.454 123 V N 3.222 122.971 119.914 -0.275 0.000 2.439 123 V HA 0.211 4.334 4.120 0.005 0.000 0.282 123 V C 0.597 176.504 176.094 -0.312 0.000 1.039 123 V CA -0.982 61.107 62.300 -0.352 0.000 0.913 123 V CB 1.444 32.914 31.823 -0.588 0.000 0.983 123 V HN 0.902 nan 8.190 nan 0.000 0.460 124 N N 7.589 126.098 118.700 -0.318 0.000 2.429 124 N HA 0.051 4.793 4.740 0.005 0.000 0.271 124 N C -1.194 174.188 175.510 -0.213 0.000 1.272 124 N CA -1.212 51.612 53.050 -0.377 0.000 0.921 124 N CB 1.506 39.594 38.487 -0.665 0.000 1.128 124 N HN 0.399 nan 8.380 nan 0.000 0.481 125 P HA -0.097 nan 4.420 nan 0.000 0.222 125 P C -0.324 177.082 177.300 0.176 0.000 1.153 125 P CA 0.672 63.857 63.100 0.142 0.000 0.798 125 P CB 0.069 31.795 31.700 0.043 0.000 0.796 126 Y N -0.125 120.218 120.300 0.072 0.000 3.825 126 Y HA -0.254 4.299 4.550 0.004 0.000 0.221 126 Y C 0.603 176.520 175.900 0.028 0.000 1.195 126 Y CA 0.936 59.065 58.100 0.048 0.000 1.699 126 Y CB -2.371 36.126 38.460 0.062 0.000 1.531 126 Y HN 0.348 nan 8.280 nan 0.000 0.640 127 R N -1.543 119.024 120.500 0.111 0.000 2.764 127 R HA 0.554 4.896 4.340 0.005 0.000 0.250 127 R C -1.007 175.302 176.300 0.016 0.000 1.122 127 R CA -1.134 55.003 56.100 0.061 0.000 1.022 127 R CB 1.052 31.383 30.300 0.051 0.000 1.266 127 R HN 0.097 nan 8.270 nan 0.000 0.454 128 R N 2.127 122.632 120.500 0.009 0.000 2.679 128 R HA 0.310 4.653 4.340 0.005 0.000 0.268 128 R C -0.337 175.936 176.300 -0.044 0.000 1.044 128 R CA 0.207 56.312 56.100 0.009 0.000 1.105 128 R CB 0.478 30.786 30.300 0.012 0.000 0.989 128 R HN 0.460 nan 8.270 nan 0.000 0.447 129 L N 3.406 124.618 121.223 -0.017 0.000 2.371 129 L HA 0.363 4.706 4.340 0.005 0.000 0.262 129 L C -1.826 174.970 176.870 -0.124 0.000 1.006 129 L CA -2.159 52.555 54.840 -0.210 0.000 0.818 129 L CB 2.292 44.153 42.059 -0.331 0.000 1.354 129 L HN 0.416 nan 8.230 nan 0.000 0.415 130 P HA 0.079 nan 4.420 nan 0.000 0.247 130 P C 1.131 178.368 177.300 -0.105 0.000 1.225 130 P CA 0.587 63.627 63.100 -0.100 0.000 0.768 130 P CB 0.080 31.725 31.700 -0.093 0.000 1.020 131 I N -3.049 117.377 120.570 -0.239 0.000 2.676 131 I HA -0.150 4.023 4.170 0.005 0.000 0.259 131 I C 0.690 176.564 176.117 -0.406 0.000 1.194 131 I CA 1.060 62.146 61.300 -0.357 0.000 1.473 131 I CB -0.716 36.910 38.000 -0.623 0.000 1.096 131 I HN -0.019 nan 8.210 nan 0.000 0.443 132 Y N 1.653 121.956 120.300 0.006 0.000 2.746 132 Y HA 0.214 4.765 4.550 0.002 0.000 0.312 132 Y C 1.369 177.407 175.900 0.230 0.000 1.117 132 Y CA -0.816 57.357 58.100 0.123 0.000 1.324 132 Y CB -0.633 37.939 38.460 0.187 0.000 1.173 132 Y HN 0.047 nan 8.280 nan 0.000 0.529 133 T N -4.087 110.609 114.554 0.237 0.000 2.874 133 T HA 0.113 4.466 4.350 0.005 0.000 0.281 133 T C 1.033 175.833 174.700 0.168 0.000 0.994 133 T CA -0.619 61.584 62.100 0.171 0.000 1.015 133 T CB 1.353 70.273 68.868 0.086 0.000 1.028 133 T HN 0.166 nan 8.240 nan 0.000 0.523 134 D N 0.542 120.999 120.400 0.096 0.000 2.104 134 D HA -0.157 4.486 4.640 0.005 0.000 0.194 134 D C 2.182 178.512 176.300 0.049 0.000 0.994 134 D CA 1.721 55.751 54.000 0.049 0.000 0.830 134 D CB -0.358 40.450 40.800 0.014 0.000 0.959 134 D HN 0.624 nan 8.370 nan 0.000 0.452 135 S N 0.197 115.921 115.700 0.039 0.000 2.368 135 S HA -0.173 4.300 4.470 0.005 0.000 0.226 135 S C 2.242 176.861 174.600 0.031 0.000 1.044 135 S CA 1.503 59.715 58.200 0.019 0.000 1.062 135 S CB -0.370 62.831 63.200 0.001 0.000 0.931 135 S HN 0.063 nan 8.310 nan 0.000 0.440 136 V N 2.206 122.154 119.914 0.056 0.000 2.343 136 V HA -0.166 3.957 4.120 0.005 0.000 0.247 136 V C 2.314 178.556 176.094 0.247 0.000 1.051 136 V CA 1.997 64.349 62.300 0.088 0.000 1.036 136 V CB -0.696 31.162 31.823 0.058 0.000 0.654 136 V HN 0.540 nan 8.190 nan 0.000 0.451 137 I N 0.624 121.349 120.570 0.259 0.000 2.208 137 I HA -0.297 3.876 4.170 0.005 0.000 0.245 137 I C 2.694 178.904 176.117 0.155 0.000 1.097 137 I CA 1.649 63.089 61.300 0.234 0.000 1.363 137 I CB -0.706 37.288 38.000 -0.010 0.000 1.051 137 I HN 0.323 nan 8.210 nan 0.000 0.413 138 A N 0.716 123.584 122.820 0.078 0.000 1.978 138 A HA -0.236 4.087 4.320 0.005 0.000 0.220 138 A C 2.308 179.942 177.584 0.083 0.000 1.170 138 A CA 1.672 53.738 52.037 0.048 0.000 0.636 138 A CB -0.451 18.561 19.000 0.020 0.000 0.810 138 A HN 0.380 nan 8.150 nan 0.000 0.448 139 K N -1.847 118.621 120.400 0.114 0.000 2.103 139 K HA -0.087 4.236 4.320 0.005 0.000 0.204 139 K C 1.496 178.123 176.600 0.045 0.000 1.052 139 K CA 1.435 57.762 56.287 0.067 0.000 0.945 139 K CB -0.224 32.277 32.500 0.003 0.000 0.722 139 K HN 0.637 nan 8.250 nan 0.000 0.443 140 Y N 0.917 121.295 120.300 0.130 0.000 2.544 140 Y HA 0.060 4.614 4.550 0.005 0.000 0.286 140 Y C 0.526 176.523 175.900 0.162 0.000 1.141 140 Y CA 0.030 58.226 58.100 0.159 0.000 1.299 140 Y CB 0.136 38.709 38.460 0.190 0.000 1.030 140 Y HN -0.213 nan 8.280 nan 0.000 0.543 141 R N 1.191 121.840 120.500 0.248 0.000 2.513 141 R HA -0.036 4.307 4.340 0.005 0.000 0.333 141 R C 1.208 177.588 176.300 0.132 0.000 0.925 141 R CA 1.075 57.274 56.100 0.165 0.000 1.072 141 R CB -0.685 29.658 30.300 0.072 0.000 0.914 141 R HN 0.651 nan 8.270 nan 0.000 0.408 142 G N 2.926 111.818 108.800 0.152 0.000 2.175 142 G HA2 -0.301 3.661 3.960 0.005 0.000 0.265 142 G HA3 -0.301 3.661 3.960 0.005 0.000 0.265 142 G C 0.043 174.996 174.900 0.089 0.000 0.979 142 G CA 0.275 45.444 45.100 0.115 0.000 0.663 142 G HN 0.470 nan 8.290 nan 0.000 0.533 143 K N 0.844 121.300 120.400 0.093 0.000 2.234 143 K HA 0.345 4.668 4.320 0.005 0.000 0.282 143 K C 0.977 177.620 176.600 0.071 0.000 1.039 143 K CA -0.649 55.672 56.287 0.057 0.000 0.928 143 K CB 1.103 33.609 32.500 0.009 0.000 1.039 143 K HN 0.355 nan 8.250 nan 0.000 0.470 144 R N 1.711 122.241 120.500 0.050 0.000 2.679 144 R HA -0.011 4.332 4.340 0.005 0.000 0.268 144 R C 1.364 177.702 176.300 0.064 0.000 1.044 144 R CA 0.117 56.245 56.100 0.048 0.000 1.105 144 R CB 0.410 30.727 30.300 0.029 0.000 0.989 144 R HN 0.511 nan 8.270 nan 0.000 0.447 145 K N 0.584 121.018 120.400 0.056 0.000 2.160 145 K HA -0.198 4.124 4.320 0.005 0.000 0.206 145 K C 1.979 178.652 176.600 0.121 0.000 1.047 145 K CA 2.261 58.594 56.287 0.077 0.000 0.930 145 K CB -0.075 32.354 32.500 -0.119 0.000 0.720 145 K HN 0.752 nan 8.250 nan 0.000 0.450 146 T N -1.069 113.522 114.554 0.061 0.000 2.978 146 T HA -0.075 4.278 4.350 0.005 0.000 0.262 146 T C 1.177 175.916 174.700 0.064 0.000 1.063 146 T CA 0.631 62.776 62.100 0.075 0.000 1.140 146 T CB -0.143 68.747 68.868 0.037 0.000 0.886 146 T HN 0.353 nan 8.240 nan 0.000 0.470 147 E N 0.956 121.180 120.200 0.039 0.000 2.321 147 E HA 0.540 4.892 4.350 0.005 0.000 0.189 147 E C 0.058 176.646 176.600 -0.020 0.000 1.125 147 E CA -0.265 56.139 56.400 0.006 0.000 1.005 147 E CB -0.406 29.294 29.700 -0.000 0.000 1.140 147 E HN 0.597 nan 8.360 nan 0.000 0.457 148 I N -0.134 120.442 120.570 0.010 0.000 2.763 148 I HA 0.169 4.341 4.170 0.005 0.000 0.292 148 I C -2.788 173.377 176.117 0.080 0.000 1.610 148 I CA -2.652 58.621 61.300 -0.044 0.000 1.002 148 I CB 2.207 40.106 38.000 -0.169 0.000 1.416 148 I HN -0.153 nan 8.210 nan 0.000 0.479 149 P HA 0.104 nan 4.420 nan 0.000 0.264 149 P C -2.524 174.932 177.300 0.260 0.000 1.179 149 P CA -0.350 62.841 63.100 0.152 0.000 0.763 149 P CB -0.206 31.602 31.700 0.180 0.000 0.806 150 P HA -0.019 nan 4.420 nan 0.000 0.264 150 P C -0.479 176.816 177.300 -0.009 0.000 1.183 150 P CA 1.232 64.153 63.100 -0.298 0.000 0.763 150 P CB 0.250 31.593 31.700 -0.595 0.000 0.807 151 H N 1.981 120.919 119.070 -0.220 0.000 3.060 151 H HA 0.095 4.652 4.556 0.002 0.000 0.330 151 H C 0.017 174.888 175.328 -0.762 0.000 1.305 151 H CA -0.591 55.070 56.048 -0.645 0.000 1.209 151 H CB 1.042 30.435 29.762 -0.614 0.000 1.913 151 H HN 0.174 nan 8.280 nan 0.000 0.534 152 L N 3.157 123.725 121.223 -1.092 0.000 2.083 152 L HA -0.074 4.269 4.340 0.005 0.000 0.209 152 L C 1.613 178.466 176.870 -0.029 0.000 1.083 152 L CA 1.653 56.245 54.840 -0.415 0.000 0.752 152 L CB -0.755 41.119 42.059 -0.308 0.000 0.899 152 L HN 0.499 nan 8.230 nan 0.000 0.433 153 F N -0.756 119.048 119.950 -0.244 0.000 2.307 153 F HA -0.173 4.352 4.527 -0.002 0.000 0.301 153 F C 2.891 178.288 175.800 -0.672 0.000 1.076 153 F CA 1.213 58.734 58.000 -0.798 0.000 1.383 153 F CB -1.545 36.831 39.000 -1.040 0.000 1.055 153 F HN 0.217 nan 8.300 nan 0.000 0.526 154 S N -0.592 115.055 115.700 -0.089 0.000 2.425 154 S HA -0.036 4.437 4.470 0.005 0.000 0.225 154 S C 2.200 176.803 174.600 0.005 0.000 1.024 154 S CA 0.639 58.903 58.200 0.106 0.000 0.951 154 S CB -0.198 63.215 63.200 0.355 0.000 0.796 154 S HN 0.072 nan 8.310 nan 0.000 0.498 155 V N 1.824 121.723 119.914 -0.024 0.000 2.548 155 V HA -0.024 4.099 4.120 0.005 0.000 0.249 155 V C 2.652 178.614 176.094 -0.221 0.000 1.055 155 V CA 1.536 63.790 62.300 -0.076 0.000 1.065 155 V CB -1.034 30.791 31.823 0.003 0.000 0.681 155 V HN 0.547 nan 8.190 nan 0.000 0.462 156 A N -0.256 122.417 122.820 -0.245 0.000 1.854 156 A HA -0.218 4.105 4.320 0.005 0.000 0.214 156 A C 2.204 179.679 177.584 -0.183 0.000 1.192 156 A CA 1.627 53.503 52.037 -0.267 0.000 0.611 156 A CB -0.677 18.067 19.000 -0.427 0.000 0.832 156 A HN 0.505 nan 8.150 nan 0.000 0.442 157 D N 0.074 120.333 120.400 -0.234 0.000 2.087 157 D HA -0.197 4.446 4.640 0.005 0.000 0.192 157 D C 1.623 177.974 176.300 0.085 0.000 0.993 157 D CA 1.510 55.560 54.000 0.085 0.000 0.828 157 D CB -0.368 40.535 40.800 0.172 0.000 0.968 157 D HN 0.423 nan 8.370 nan 0.000 0.448 158 N N 0.406 119.110 118.700 0.007 0.000 2.192 158 N HA -0.179 4.563 4.740 0.005 0.000 0.188 158 N C 1.864 177.335 175.510 -0.065 0.000 1.013 158 N CA 1.144 54.192 53.050 -0.003 0.000 0.863 158 N CB -0.146 38.333 38.487 -0.013 0.000 0.990 158 N HN 0.224 nan 8.380 nan 0.000 0.430 159 A N 0.817 123.507 122.820 -0.217 0.000 1.877 159 A HA -0.211 4.112 4.320 0.005 0.000 0.216 159 A C 2.114 179.656 177.584 -0.070 0.000 1.186 159 A CA 1.210 53.075 52.037 -0.286 0.000 0.620 159 A CB -1.057 17.705 19.000 -0.398 0.000 0.822 159 A HN 0.432 nan 8.150 nan 0.000 0.443 160 Y N 0.123 120.340 120.300 -0.138 0.000 2.089 160 Y HA -0.253 4.302 4.550 0.008 0.000 0.282 160 Y C 2.518 178.336 175.900 -0.135 0.000 1.139 160 Y CA 2.518 60.519 58.100 -0.164 0.000 1.123 160 Y CB -0.548 37.857 38.460 -0.092 0.000 0.980 160 Y HN 0.335 nan 8.280 nan 0.000 0.493 161 Q N 0.495 120.286 119.800 -0.014 0.000 2.291 161 Q HA -0.165 4.178 4.340 0.005 0.000 0.206 161 Q C 1.680 177.601 176.000 -0.132 0.000 0.976 161 Q CA 1.747 57.492 55.803 -0.096 0.000 0.875 161 Q CB -0.324 28.441 28.738 0.045 0.000 0.927 161 Q HN 0.530 nan 8.270 nan 0.000 0.450 162 N N -1.162 117.489 118.700 -0.082 0.000 2.250 162 N HA -0.042 4.700 4.740 0.005 0.000 0.181 162 N C 1.323 176.754 175.510 -0.132 0.000 1.017 162 N CA 0.945 53.978 53.050 -0.028 0.000 0.866 162 N CB -0.097 38.478 38.487 0.148 0.000 0.985 162 N HN 0.281 nan 8.380 nan 0.000 0.429 163 M N 0.065 119.530 119.600 -0.225 0.000 2.117 163 M HA -0.134 4.349 4.480 0.005 0.000 0.262 163 M C 1.297 177.333 176.300 -0.440 0.000 1.065 163 M CA 1.385 56.482 55.300 -0.338 0.000 1.114 163 M CB 0.040 32.395 32.600 -0.408 0.000 1.361 163 M HN -0.042 nan 8.290 nan 0.000 0.408 164 V N 0.048 119.683 119.914 -0.465 0.000 2.255 164 V HA -0.226 3.897 4.120 0.005 0.000 0.243 164 V C 2.315 178.249 176.094 -0.266 0.000 1.038 164 V CA 2.298 64.367 62.300 -0.385 0.000 1.008 164 V CB -1.223 30.360 31.823 -0.400 0.000 0.645 164 V HN 0.533 nan 8.190 nan 0.000 0.449 165 T N 0.064 114.492 114.554 -0.209 0.000 2.635 165 T HA -0.214 4.139 4.350 0.005 0.000 0.267 165 T C 1.596 176.207 174.700 -0.149 0.000 1.040 165 T CA 1.985 64.000 62.100 -0.141 0.000 1.156 165 T CB -0.361 68.449 68.868 -0.097 0.000 0.863 165 T HN 0.499 nan 8.240 nan 0.000 0.430 166 D N 0.073 120.370 120.400 -0.171 0.000 2.305 166 D HA 0.051 4.694 4.640 0.005 0.000 0.206 166 D C 0.303 176.463 176.300 -0.234 0.000 0.974 166 D CA 0.223 54.120 54.000 -0.171 0.000 0.871 166 D CB 0.098 40.805 40.800 -0.155 0.000 0.947 166 D HN 0.175 nan 8.370 nan 0.000 0.516 167 R N 1.036 121.310 120.500 -0.376 0.000 2.983 167 R HA -0.168 4.175 4.340 0.005 0.000 0.272 167 R C -0.250 175.741 176.300 -0.515 0.000 0.926 167 R CA 0.517 56.219 56.100 -0.662 0.000 0.667 167 R CB -2.027 28.028 30.300 -0.409 0.000 1.540 167 R HN 0.450 nan 8.270 nan 0.000 0.467 168 E N 0.761 120.686 120.200 -0.458 0.000 2.388 168 E HA 0.205 4.558 4.350 0.005 0.000 0.282 168 E C -0.863 175.648 176.600 -0.148 0.000 1.026 168 E CA -0.811 55.477 56.400 -0.186 0.000 0.820 168 E CB 1.141 30.772 29.700 -0.116 0.000 1.226 168 E HN 0.214 nan 8.360 nan 0.000 0.432 169 N N 2.484 121.123 118.700 -0.102 0.000 2.416 169 N HA 0.062 4.804 4.740 0.005 0.000 0.246 169 N C -0.724 174.680 175.510 -0.175 0.000 1.260 169 N CA 0.314 53.197 53.050 -0.278 0.000 0.897 169 N CB 0.542 38.702 38.487 -0.545 0.000 1.110 169 N HN 0.415 nan 8.380 nan 0.000 0.439 170 Q N 0.083 119.770 119.800 -0.188 0.000 2.377 170 Q HA 0.488 4.831 4.340 0.005 0.000 0.271 170 Q C -0.705 175.321 176.000 0.043 0.000 1.077 170 Q CA -0.703 55.098 55.803 -0.003 0.000 0.820 170 Q CB 2.040 30.816 28.738 0.062 0.000 1.347 170 Q HN 0.698 nan 8.270 nan 0.000 0.444 171 S N -0.837 114.918 115.700 0.093 0.000 2.594 171 S HA 0.455 4.928 4.470 0.005 0.000 0.296 171 S C -0.667 173.981 174.600 0.080 0.000 1.124 171 S CA -0.821 57.461 58.200 0.137 0.000 1.011 171 S CB 1.245 64.516 63.200 0.119 0.000 1.016 171 S HN 0.646 nan 8.310 nan 0.000 0.485 172 C N 5.529 124.894 119.300 0.108 0.000 2.258 172 C HA 0.662 5.124 4.460 0.005 0.000 0.321 172 C C -0.768 174.248 174.990 0.042 0.000 1.168 172 C CA -0.721 58.328 59.018 0.052 0.000 1.531 172 C CB -1.839 25.936 27.740 0.059 0.000 2.095 172 C HN 0.863 nan 8.230 nan 0.000 0.449 173 L N 7.693 128.881 121.223 -0.059 0.000 2.278 173 L HA 0.502 4.845 4.340 0.005 0.000 0.287 173 L C 0.214 177.147 176.870 0.106 0.000 1.072 173 L CA 0.423 55.280 54.840 0.028 0.000 0.819 173 L CB 0.565 42.633 42.059 0.015 0.000 1.176 173 L HN 0.523 nan 8.230 nan 0.000 0.435 174 I N 3.114 123.749 120.570 0.109 0.000 2.362 174 I HA 0.512 4.685 4.170 0.005 0.000 0.289 174 I C 0.508 176.679 176.117 0.089 0.000 0.994 174 I CA -0.209 61.156 61.300 0.108 0.000 1.158 174 I CB 1.646 39.700 38.000 0.089 0.000 1.315 174 I HN 0.738 nan 8.210 nan 0.000 0.451 175 T N 1.935 116.539 114.554 0.082 0.000 2.724 175 T HA 0.976 5.329 4.350 0.005 0.000 0.274 175 T C -0.100 174.614 174.700 0.023 0.000 0.984 175 T CA -0.622 61.510 62.100 0.054 0.000 1.024 175 T CB 2.079 70.986 68.868 0.065 0.000 1.320 175 T HN 1.069 nan 8.240 nan 0.000 0.555 176 G N -0.157 108.650 108.800 0.011 0.000 2.375 176 G HA2 0.227 4.189 3.960 0.005 0.000 0.663 176 G HA3 0.227 4.189 3.960 0.005 0.000 0.663 176 G C -0.910 173.991 174.900 0.001 0.000 1.391 176 G CA -0.803 44.291 45.100 -0.009 0.000 0.949 176 G HN 0.897 nan 8.290 nan 0.000 0.646 177 E N -0.404 119.794 120.200 -0.003 0.000 2.585 177 E HA 0.393 4.746 4.350 0.005 0.000 0.256 177 E C 0.732 177.350 176.600 0.029 0.000 1.383 177 E CA 0.118 56.529 56.400 0.018 0.000 1.029 177 E CB 0.444 30.153 29.700 0.016 0.000 1.044 177 E HN 0.466 nan 8.360 nan 0.000 0.595 178 S N -0.899 114.834 115.700 0.055 0.000 2.531 178 S HA 0.342 4.814 4.470 0.005 0.000 0.279 178 S C 0.766 175.398 174.600 0.053 0.000 1.305 178 S CA 0.577 58.808 58.200 0.052 0.000 1.058 178 S CB 0.148 63.389 63.200 0.069 0.000 0.899 178 S HN 0.731 nan 8.310 nan 0.000 0.493 179 G N 3.030 111.857 108.800 0.044 0.000 2.159 179 G HA2 -0.237 3.725 3.960 0.005 0.000 0.256 179 G HA3 -0.237 3.725 3.960 0.005 0.000 0.256 179 G C 0.795 175.708 174.900 0.022 0.000 0.977 179 G CA 0.269 45.407 45.100 0.063 0.000 0.652 179 G HN 1.299 nan 8.290 nan 0.000 0.531 180 A N -0.131 122.682 122.820 -0.011 0.000 2.167 180 A HA 0.542 4.865 4.320 0.005 0.000 0.214 180 A C 2.520 180.044 177.584 -0.100 0.000 1.151 180 A CA 1.928 53.931 52.037 -0.057 0.000 0.735 180 A CB -0.397 18.578 19.000 -0.041 0.000 0.802 180 A HN 2.476 nan 8.150 nan 0.000 0.467 181 G N 0.172 108.925 108.800 -0.078 0.000 2.142 181 G HA2 -0.287 3.676 3.960 0.005 0.000 0.225 181 G HA3 -0.287 3.676 3.960 0.005 0.000 0.225 181 G C 0.765 175.641 174.900 -0.040 0.000 1.015 181 G CA 0.680 45.729 45.100 -0.086 0.000 0.716 181 G HN 0.818 nan 8.290 nan 0.000 0.508 182 K N -1.174 119.215 120.400 -0.019 0.000 2.167 182 K HA 0.034 4.357 4.320 0.005 0.000 0.203 182 K C 2.062 178.666 176.600 0.006 0.000 1.052 182 K CA 1.570 57.860 56.287 0.005 0.000 0.956 182 K CB -0.366 32.141 32.500 0.010 0.000 0.735 182 K HN 0.184 nan 8.250 nan 0.000 0.451 183 T N 1.812 116.361 114.554 -0.008 0.000 2.708 183 T HA -0.170 4.183 4.350 0.005 0.000 0.266 183 T C 1.726 176.425 174.700 -0.001 0.000 1.037 183 T CA 1.744 63.840 62.100 -0.007 0.000 1.146 183 T CB -0.171 68.693 68.868 -0.007 0.000 0.865 183 T HN 0.449 nan 8.240 nan 0.000 0.435 184 E N 0.650 120.841 120.200 -0.015 0.000 2.204 184 E HA -0.127 4.226 4.350 0.005 0.000 0.194 184 E C 2.150 178.735 176.600 -0.025 0.000 0.989 184 E CA 0.592 56.971 56.400 -0.035 0.000 0.824 184 E CB 0.033 29.694 29.700 -0.065 0.000 0.756 184 E HN 0.326 nan 8.360 nan 0.000 0.477 185 N N -0.250 118.455 118.700 0.009 0.000 2.171 185 N HA -0.094 4.648 4.740 0.005 0.000 0.184 185 N C 1.751 177.299 175.510 0.065 0.000 1.021 185 N CA 1.601 54.687 53.050 0.060 0.000 0.854 185 N CB -0.260 38.278 38.487 0.084 0.000 0.994 185 N HN 0.135 nan 8.380 nan 0.000 0.426 186 T N 1.500 116.082 114.554 0.047 0.000 2.720 186 T HA -0.124 4.229 4.350 0.005 0.000 0.268 186 T C 1.946 176.671 174.700 0.042 0.000 1.037 186 T CA 1.133 63.262 62.100 0.048 0.000 1.144 186 T CB -0.035 68.856 68.868 0.038 0.000 0.864 186 T HN 0.257 nan 8.240 nan 0.000 0.444 187 K N 0.599 121.015 120.400 0.027 0.000 2.009 187 K HA -0.147 4.176 4.320 0.005 0.000 0.210 187 K C 2.431 179.052 176.600 0.034 0.000 1.049 187 K CA 1.370 57.668 56.287 0.019 0.000 0.929 187 K CB -0.058 32.442 32.500 -0.000 0.000 0.714 187 K HN 0.028 nan 8.250 nan 0.000 0.440 188 K N 0.309 120.737 120.400 0.046 0.000 2.044 188 K HA -0.151 4.172 4.320 0.005 0.000 0.210 188 K C 1.845 178.541 176.600 0.160 0.000 1.049 188 K CA 1.374 57.737 56.287 0.126 0.000 0.927 188 K CB -0.476 32.131 32.500 0.178 0.000 0.713 188 K HN -0.016 nan 8.250 nan 0.000 0.443 189 V N 1.249 121.236 119.914 0.122 0.000 2.324 189 V HA -0.285 3.838 4.120 0.005 0.000 0.250 189 V C 2.127 178.272 176.094 0.085 0.000 1.060 189 V CA 1.580 63.932 62.300 0.086 0.000 1.042 189 V CB -0.583 31.278 31.823 0.063 0.000 0.650 189 V HN 0.216 nan 8.190 nan 0.000 0.450 190 I N -0.240 120.367 120.570 0.061 0.000 2.133 190 I HA -0.269 3.904 4.170 0.005 0.000 0.238 190 I C 2.508 178.636 176.117 0.019 0.000 1.074 190 I CA 2.073 63.396 61.300 0.038 0.000 1.342 190 I CB -1.241 36.766 38.000 0.013 0.000 1.053 190 I HN 0.375 nan 8.210 nan 0.000 0.404 191 M N -0.197 119.411 119.600 0.013 0.000 2.192 191 M HA -0.315 4.168 4.480 0.005 0.000 0.259 191 M C 2.473 178.724 176.300 -0.081 0.000 1.071 191 M CA 2.093 57.381 55.300 -0.021 0.000 1.082 191 M CB -0.482 32.124 32.600 0.010 0.000 1.373 191 M HN 0.239 nan 8.290 nan 0.000 0.408 192 Y N 0.983 121.152 120.300 -0.219 0.000 2.130 192 Y HA -0.123 4.430 4.550 0.004 0.000 0.287 192 Y C 2.028 177.782 175.900 -0.243 0.000 1.124 192 Y CA 1.894 59.772 58.100 -0.369 0.000 1.118 192 Y CB -0.414 37.730 38.460 -0.527 0.000 0.994 192 Y HN 0.174 nan 8.280 nan 0.000 0.497 193 L N -0.223 121.044 121.223 0.074 0.000 2.187 193 L HA -0.229 4.113 4.340 0.005 0.000 0.213 193 L C 2.529 179.363 176.870 -0.060 0.000 1.100 193 L CA 1.124 55.994 54.840 0.050 0.000 0.765 193 L CB -0.803 41.383 42.059 0.212 0.000 0.904 193 L HN 0.353 nan 8.230 nan 0.000 0.437 194 A N -0.664 122.103 122.820 -0.089 0.000 2.119 194 A HA -0.127 4.196 4.320 0.005 0.000 0.216 194 A C 2.145 179.637 177.584 -0.153 0.000 1.152 194 A CA 0.933 52.906 52.037 -0.108 0.000 0.708 194 A CB -0.135 18.813 19.000 -0.087 0.000 0.805 194 A HN 0.249 nan 8.150 nan 0.000 0.460 195 K N -0.211 120.045 120.400 -0.241 0.000 2.397 195 K HA 0.205 4.528 4.320 0.005 0.000 0.202 195 K C 0.635 177.029 176.600 -0.342 0.000 1.022 195 K CA 0.650 56.773 56.287 -0.272 0.000 1.141 195 K CB 0.438 32.759 32.500 -0.299 0.000 0.857 195 K HN 0.379 nan 8.250 nan 0.000 0.514 196 V N -5.015 114.682 119.914 -0.361 0.000 3.392 196 V HA 0.506 4.629 4.120 0.005 0.000 0.294 196 V C 0.115 176.024 176.094 -0.308 0.000 1.561 196 V CA -0.036 62.033 62.300 -0.384 0.000 1.056 196 V CB 1.083 32.570 31.823 -0.560 0.000 0.882 196 V HN -0.010 nan 8.190 nan 0.000 0.440 197 A N 0.231 122.939 122.820 -0.187 0.000 3.448 197 A HA 0.595 4.917 4.320 0.005 0.000 0.232 197 A C -0.377 177.203 177.584 -0.007 0.000 1.018 197 A CA 0.195 52.220 52.037 -0.020 0.000 0.996 197 A CB -0.104 19.006 19.000 0.183 0.000 1.283 197 A HN 0.561 nan 8.150 nan 0.000 0.586 198 C N 0.914 120.189 119.300 -0.042 0.000 2.330 198 C HA 0.623 5.085 4.460 0.005 0.000 0.344 198 C C 2.083 177.059 174.990 -0.023 0.000 1.273 198 C CA 0.493 59.483 59.018 -0.047 0.000 1.879 198 C CB -0.044 27.658 27.740 -0.063 0.000 2.376 198 C HN 1.405 nan 8.230 nan 0.000 0.534 199 A N 4.386 127.189 122.820 -0.029 0.000 1.883 199 A HA 0.100 4.423 4.320 0.005 0.000 0.269 199 A C 1.033 178.614 177.584 -0.005 0.000 2.559 199 A CA 3.732 55.759 52.037 -0.018 0.000 0.908 199 A CB -1.527 17.456 19.000 -0.028 0.000 0.807 199 A HN 2.529 nan 8.150 nan 0.000 0.505 214 S N 0.432 116.117 115.700 -0.026 0.000 2.569 214 S HA 0.162 4.635 4.470 0.005 0.000 0.274 214 S C 2.062 176.638 174.600 -0.040 0.000 1.353 214 S CA -0.621 57.559 58.200 -0.033 0.000 1.023 214 S CB 0.553 63.733 63.200 -0.034 0.000 0.876 214 S HN 0.516 nan 8.310 nan 0.000 0.540 215 L N 1.584 122.780 121.223 -0.046 0.000 1.997 215 L HA -0.174 4.168 4.340 0.005 0.000 0.216 215 L C 2.281 179.115 176.870 -0.061 0.000 1.074 215 L CA 1.953 56.760 54.840 -0.056 0.000 0.763 215 L CB -2.183 39.837 42.059 -0.065 0.000 0.890 215 L HN 0.597 nan 8.230 nan 0.000 0.434 216 E N 0.683 120.845 120.200 -0.063 0.000 2.097 216 E HA -0.216 4.136 4.350 0.005 0.000 0.196 216 E C 1.846 178.414 176.600 -0.053 0.000 1.000 216 E CA 1.489 57.850 56.400 -0.064 0.000 0.804 216 E CB -0.341 29.322 29.700 -0.063 0.000 0.740 216 E HN 0.497 nan 8.360 nan 0.000 0.454 217 D N 0.154 120.527 120.400 -0.045 0.000 2.133 217 D HA -0.204 4.439 4.640 0.005 0.000 0.195 217 D C 1.950 178.226 176.300 -0.040 0.000 0.997 217 D CA 1.206 55.184 54.000 -0.038 0.000 0.840 217 D CB -0.347 40.434 40.800 -0.031 0.000 0.947 217 D HN 0.196 nan 8.370 nan 0.000 0.452 218 Q N -0.139 119.635 119.800 -0.044 0.000 2.050 218 Q HA -0.033 4.310 4.340 0.005 0.000 0.202 218 Q C 2.343 178.310 176.000 -0.054 0.000 0.980 218 Q CA 0.785 56.560 55.803 -0.047 0.000 0.840 218 Q CB -0.085 28.625 28.738 -0.046 0.000 0.898 218 Q HN 0.315 nan 8.270 nan 0.000 0.424 219 I N 0.243 120.779 120.570 -0.057 0.000 2.399 219 I HA -0.279 3.893 4.170 0.005 0.000 0.254 219 I C 1.687 177.777 176.117 -0.046 0.000 1.146 219 I CA 0.683 61.949 61.300 -0.057 0.000 1.412 219 I CB -0.243 37.718 38.000 -0.064 0.000 1.076 219 I HN 0.316 nan 8.210 nan 0.000 0.432 220 I N 0.045 120.589 120.570 -0.043 0.000 2.400 220 I HA -0.144 4.029 4.170 0.005 0.000 0.248 220 I C 2.468 178.563 176.117 -0.037 0.000 1.109 220 I CA 1.192 62.472 61.300 -0.034 0.000 1.425 220 I CB -0.943 37.038 38.000 -0.031 0.000 1.094 220 I HN 0.285 nan 8.210 nan 0.000 0.425 221 Q N 0.635 120.406 119.800 -0.049 0.000 2.230 221 Q HA 0.061 4.404 4.340 0.005 0.000 0.202 221 Q C 2.322 178.264 176.000 -0.097 0.000 0.963 221 Q CA 1.190 56.954 55.803 -0.066 0.000 0.866 221 Q CB -0.436 28.262 28.738 -0.067 0.000 0.931 221 Q HN 0.448 nan 8.270 nan 0.000 0.452 222 A N 1.472 124.239 122.820 -0.088 0.000 2.076 222 A HA -0.229 4.094 4.320 0.005 0.000 0.220 222 A C 1.964 179.503 177.584 -0.075 0.000 1.160 222 A CA 1.391 53.364 52.037 -0.107 0.000 0.653 222 A CB -0.637 18.314 19.000 -0.081 0.000 0.801 222 A HN 0.406 nan 8.150 nan 0.000 0.455 223 N N -0.213 118.467 118.700 -0.033 0.000 2.028 223 N HA -0.125 4.618 4.740 0.005 0.000 0.194 223 N C -0.766 174.759 175.510 0.026 0.000 1.050 223 N CA 1.730 54.791 53.050 0.020 0.000 0.848 223 N CB -0.778 37.722 38.487 0.022 0.000 1.038 223 N HN 0.207 nan 8.380 nan 0.000 0.423 224 P HA -0.195 nan 4.420 nan 0.000 0.216 224 P C 1.838 179.144 177.300 0.009 0.000 1.167 224 P CA 1.824 64.924 63.100 0.001 0.000 0.914 224 P CB -0.240 31.436 31.700 -0.040 0.000 0.793 225 V N -3.230 116.609 119.914 -0.126 0.000 2.358 225 V HA -0.210 3.913 4.120 0.005 0.000 0.246 225 V C 2.213 178.360 176.094 0.087 0.000 1.047 225 V CA 1.769 63.980 62.300 -0.148 0.000 1.035 225 V CB -1.872 29.555 31.823 -0.660 0.000 0.658 225 V HN 0.020 nan 8.190 nan 0.000 0.452 226 L N -0.117 121.129 121.223 0.039 0.000 2.093 226 L HA -0.102 4.241 4.340 0.005 0.000 0.208 226 L C 2.903 179.986 176.870 0.356 0.000 1.085 226 L CA 2.031 56.953 54.840 0.138 0.000 0.755 226 L CB -0.660 41.479 42.059 0.134 0.000 0.904 226 L HN 0.389 nan 8.230 nan 0.000 0.435 227 E N 0.079 120.467 120.200 0.313 0.000 2.152 227 E HA -0.149 4.204 4.350 0.005 0.000 0.192 227 E C 2.253 179.094 176.600 0.401 0.000 0.983 227 E CA 0.883 57.507 56.400 0.372 0.000 0.818 227 E CB -0.018 29.840 29.700 0.264 0.000 0.758 227 E HN 0.471 nan 8.360 nan 0.000 0.467 228 A N -0.047 122.957 122.820 0.307 0.000 2.067 228 A HA -0.140 4.183 4.320 0.005 0.000 0.219 228 A C 1.262 178.878 177.584 0.053 0.000 1.158 228 A CA 1.107 53.267 52.037 0.205 0.000 0.661 228 A CB -0.240 18.837 19.000 0.130 0.000 0.801 228 A HN 0.275 nan 8.150 nan 0.000 0.452 229 Y N -2.059 118.402 120.300 0.268 0.000 2.444 229 Y HA 0.304 4.856 4.550 0.003 0.000 0.252 229 Y C 2.180 178.107 175.900 0.045 0.000 1.091 229 Y CA 0.299 58.527 58.100 0.212 0.000 1.276 229 Y CB 0.481 39.052 38.460 0.185 0.000 1.170 229 Y HN 0.293 nan 8.280 nan 0.000 0.517 230 G N -0.839 108.221 108.800 0.433 0.000 3.228 230 G HA2 0.128 4.091 3.960 0.005 0.000 0.245 230 G HA3 0.128 4.091 3.960 0.005 0.000 0.245 230 G C -0.338 174.997 174.900 0.726 0.000 1.051 230 G CA -0.124 45.251 45.100 0.458 0.000 0.809 230 G HN 0.061 nan 8.290 nan 0.000 0.531 231 N N 0.048 119.103 118.700 0.592 0.000 2.292 231 N HA 0.802 5.545 4.740 0.005 0.000 0.303 231 N C -0.347 175.094 175.510 -0.115 0.000 1.140 231 N CA -0.132 53.109 53.050 0.319 0.000 0.788 231 N CB 2.317 41.038 38.487 0.390 0.000 1.361 231 N HN 0.208 nan 8.380 nan 0.000 0.489 232 A N 0.143 122.782 122.820 -0.301 0.000 2.568 232 A HA 0.594 4.917 4.320 0.005 0.000 0.291 232 A C -1.428 176.002 177.584 -0.256 0.000 1.159 232 A CA -0.687 51.017 52.037 -0.554 0.000 0.679 232 A CB 1.199 19.897 19.000 -0.502 0.000 1.285 232 A HN 0.447 nan 8.150 nan 0.000 0.428 233 K N 1.016 121.296 120.400 -0.199 0.000 2.234 233 K HA 0.527 4.850 4.320 0.005 0.000 0.277 233 K C -0.584 175.955 176.600 -0.103 0.000 1.038 233 K CA 0.180 56.421 56.287 -0.076 0.000 0.888 233 K CB 0.973 33.434 32.500 -0.065 0.000 1.091 233 K HN 0.907 nan 8.250 nan 0.000 0.467 234 T N 0.195 114.713 114.554 -0.060 0.000 2.930 234 T HA 0.147 4.500 4.350 0.005 0.000 0.290 234 T C 1.357 176.039 174.700 -0.031 0.000 1.052 234 T CA -0.346 61.718 62.100 -0.060 0.000 1.017 234 T CB 1.377 70.216 68.868 -0.049 0.000 1.137 234 T HN 0.643 nan 8.240 nan 0.000 0.511 235 T N 0.520 115.056 114.554 -0.030 0.000 2.897 235 T HA -0.030 4.323 4.350 0.005 0.000 0.271 235 T C 1.768 176.472 174.700 0.006 0.000 1.084 235 T CA 0.530 62.621 62.100 -0.015 0.000 1.123 235 T CB -0.158 68.701 68.868 -0.014 0.000 0.865 235 T HN 0.477 nan 8.240 nan 0.000 0.496 236 R N 1.207 121.719 120.500 0.020 0.000 2.075 236 R HA 0.308 4.651 4.340 0.005 0.000 0.220 236 R C 0.790 177.129 176.300 0.064 0.000 1.118 236 R CA 0.498 56.626 56.100 0.047 0.000 0.986 236 R CB -0.326 30.010 30.300 0.060 0.000 0.884 236 R HN 0.489 nan 8.270 nan 0.000 0.439 237 N N 0.154 118.884 118.700 0.050 0.000 2.249 237 N HA 0.155 4.897 4.740 0.005 0.000 0.296 237 N C -0.426 175.117 175.510 0.054 0.000 1.051 237 N CA -0.233 52.857 53.050 0.066 0.000 0.815 237 N CB 1.497 40.021 38.487 0.063 0.000 1.487 237 N HN 0.041 nan 8.380 nan 0.000 0.475 238 N N 0.893 119.635 118.700 0.070 0.000 2.515 238 N HA -0.068 4.675 4.740 0.005 0.000 0.185 238 N C -0.461 175.130 175.510 0.135 0.000 1.109 238 N CA 0.384 53.478 53.050 0.074 0.000 0.903 238 N CB 0.124 38.646 38.487 0.058 0.000 0.969 238 N HN 0.422 nan 8.380 nan 0.000 0.450 239 N N 0.095 118.880 118.700 0.142 0.000 2.679 239 N HA -0.027 4.716 4.740 0.005 0.000 0.240 239 N C -1.674 173.933 175.510 0.162 0.000 1.537 239 N CA -0.221 52.972 53.050 0.238 0.000 0.793 239 N CB 0.453 39.046 38.487 0.177 0.000 1.391 239 N HN -0.156 nan 8.380 nan 0.000 0.524 240 S N 0.450 116.215 115.700 0.109 0.000 2.499 240 S HA 0.363 4.835 4.470 0.005 0.000 0.275 240 S C -0.029 174.625 174.600 0.090 0.000 1.257 240 S CA -0.261 57.980 58.200 0.068 0.000 1.050 240 S CB 0.393 63.610 63.200 0.029 0.000 0.937 240 S HN 0.300 nan 8.310 nan 0.000 0.490 241 S N 5.230 120.959 115.700 0.049 0.000 2.423 241 S HA 0.205 4.677 4.470 0.005 0.000 0.302 241 S C 0.875 175.479 174.600 0.007 0.000 1.143 241 S CA -0.589 57.611 58.200 0.000 0.000 1.080 241 S CB 0.030 63.080 63.200 -0.251 0.000 1.081 241 S HN 0.584 nan 8.310 nan 0.000 0.522 242 R N 2.846 123.482 120.500 0.227 0.000 2.823 242 R HA 0.161 4.503 4.340 0.005 0.000 0.250 242 R C -0.420 176.067 176.300 0.311 0.000 1.332 242 R CA 0.077 56.315 56.100 0.231 0.000 1.259 242 R CB -1.167 29.302 30.300 0.281 0.000 1.225 242 R HN 0.666 nan 8.270 nan 0.000 0.545 243 F N -4.496 115.510 119.950 0.093 0.000 2.665 243 F HA 0.605 5.133 4.527 0.003 0.000 0.308 243 F C -0.083 175.818 175.800 0.168 0.000 1.112 243 F CA -1.634 56.424 58.000 0.096 0.000 0.972 243 F CB 0.600 39.629 39.000 0.050 0.000 1.295 243 F HN -0.110 nan 8.300 nan 0.000 0.440 244 G N 1.865 110.810 108.800 0.241 0.000 2.444 244 G HA2 0.549 4.512 3.960 0.005 0.000 0.268 244 G HA3 0.549 4.512 3.960 0.005 0.000 0.268 244 G C -1.528 173.619 174.900 0.411 0.000 1.203 244 G CA -0.945 44.292 45.100 0.228 0.000 0.835 244 G HN 0.976 nan 8.290 nan 0.000 0.543 245 K N 0.562 121.144 120.400 0.302 0.000 2.482 245 K HA 0.544 4.866 4.320 0.005 0.000 0.251 245 K C -1.960 174.896 176.600 0.426 0.000 0.936 245 K CA -0.975 55.541 56.287 0.381 0.000 0.791 245 K CB 2.208 34.858 32.500 0.249 0.000 1.213 245 K HN 0.250 nan 8.250 nan 0.000 0.428 246 F N 5.093 125.233 119.950 0.317 0.000 2.347 246 F HA 0.470 5.001 4.527 0.006 0.000 0.366 246 F C -1.108 174.765 175.800 0.121 0.000 1.107 246 F CA -1.530 56.614 58.000 0.241 0.000 1.058 246 F CB 0.586 39.805 39.000 0.364 0.000 1.236 246 F HN 0.503 nan 8.300 nan 0.000 0.456 247 I N 7.016 127.399 120.570 -0.312 0.000 2.321 247 I HA 0.407 4.580 4.170 0.005 0.000 0.291 247 I C -0.111 175.673 176.117 -0.554 0.000 0.998 247 I CA -0.647 60.442 61.300 -0.352 0.000 1.227 247 I CB 1.122 39.041 38.000 -0.136 0.000 1.368 247 I HN 0.432 nan 8.210 nan 0.000 0.466 248 R N 6.589 126.729 120.500 -0.601 0.000 2.346 248 R HA 0.587 4.930 4.340 0.005 0.000 0.311 248 R C -0.904 175.112 176.300 -0.473 0.000 0.983 248 R CA -0.883 54.852 56.100 -0.610 0.000 0.880 248 R CB 2.027 31.776 30.300 -0.919 0.000 1.100 248 R HN 0.443 nan 8.270 nan 0.000 0.453 249 I N 4.550 124.967 120.570 -0.255 0.000 2.354 249 I HA 0.234 4.407 4.170 0.005 0.000 0.286 249 I C 0.204 176.253 176.117 -0.113 0.000 1.007 249 I CA -0.588 60.601 61.300 -0.185 0.000 1.167 249 I CB 0.998 39.005 38.000 0.012 0.000 1.320 249 I HN 0.441 nan 8.210 nan 0.000 0.458 250 H N 6.237 125.298 119.070 -0.014 0.000 2.487 250 H HA 0.495 5.054 4.556 0.005 0.000 0.333 250 H C -0.828 174.447 175.328 -0.089 0.000 1.114 250 H CA -0.057 56.057 56.048 0.110 0.000 1.310 250 H CB 1.518 31.297 29.762 0.029 0.000 1.462 250 H HN 0.265 nan 8.280 nan 0.000 0.516 251 F N -0.504 119.595 119.950 0.248 0.000 2.579 251 F HA 0.475 5.005 4.527 0.004 0.000 0.324 251 F C 1.040 176.920 175.800 0.133 0.000 1.058 251 F CA -0.792 57.320 58.000 0.187 0.000 0.944 251 F CB 1.426 40.559 39.000 0.221 0.000 1.245 251 F HN 0.541 nan 8.300 nan 0.000 0.477 252 G N 0.328 109.304 108.800 0.295 0.000 2.535 252 G HA2 0.457 4.420 3.960 0.005 0.000 0.303 252 G HA3 0.457 4.420 3.960 0.005 0.000 0.303 252 G C -2.273 172.735 174.900 0.180 0.000 1.237 252 G CA -1.563 43.637 45.100 0.167 0.000 0.986 252 G HN 0.407 nan 8.290 nan 0.000 0.494 253 P HA -0.018 nan 4.420 nan 0.000 0.226 253 P C 1.481 178.853 177.300 0.120 0.000 1.146 253 P CA 1.499 64.668 63.100 0.116 0.000 0.773 253 P CB 0.230 31.971 31.700 0.068 0.000 0.772 254 T N -5.981 108.649 114.554 0.127 0.000 3.134 254 T HA 0.410 4.763 4.350 0.005 0.000 0.260 254 T C 1.305 176.106 174.700 0.169 0.000 1.027 254 T CA 0.135 62.306 62.100 0.119 0.000 0.913 254 T CB -0.621 68.304 68.868 0.096 0.000 1.046 254 T HN 0.170 nan 8.240 nan 0.000 0.553 255 G N 1.761 110.692 108.800 0.219 0.000 2.176 255 G HA2 -0.211 3.752 3.960 0.005 0.000 0.252 255 G HA3 -0.211 3.752 3.960 0.005 0.000 0.252 255 G C -0.148 175.085 174.900 0.555 0.000 1.024 255 G CA -0.140 45.149 45.100 0.314 0.000 0.755 255 G HN 0.560 nan 8.290 nan 0.000 0.507 256 K N -0.212 120.449 120.400 0.435 0.000 2.156 256 K HA 0.556 4.879 4.320 0.005 0.000 0.250 256 K C 0.911 177.609 176.600 0.164 0.000 0.955 256 K CA -1.267 55.212 56.287 0.318 0.000 0.855 256 K CB 1.408 33.994 32.500 0.142 0.000 1.101 256 K HN 0.219 nan 8.250 nan 0.000 0.434 257 I N 2.380 122.869 120.570 -0.136 0.000 2.664 257 I HA -0.143 4.030 4.170 0.005 0.000 0.284 257 I C 1.277 177.257 176.117 -0.228 0.000 1.154 257 I CA 0.296 61.293 61.300 -0.506 0.000 1.402 257 I CB 0.622 38.365 38.000 -0.429 0.000 1.395 257 I HN 0.690 nan 8.210 nan 0.000 0.545 258 A N 5.277 127.986 122.820 -0.185 0.000 2.014 258 A HA 0.560 4.883 4.320 0.005 0.000 0.210 258 A C 1.019 178.562 177.584 -0.067 0.000 1.188 258 A CA 0.877 52.874 52.037 -0.067 0.000 0.731 258 A CB 0.147 19.148 19.000 0.000 0.000 0.858 258 A HN 0.838 nan 8.150 nan 0.000 0.464 259 G N -2.801 105.960 108.800 -0.065 0.000 2.340 259 G HA2 0.652 4.614 3.960 0.005 0.000 0.299 259 G HA3 0.652 4.614 3.960 0.005 0.000 0.299 259 G C -1.211 173.702 174.900 0.021 0.000 1.291 259 G CA 0.155 45.238 45.100 -0.027 0.000 0.841 259 G HN 1.404 nan 8.290 nan 0.000 0.500 260 A N -0.775 122.070 122.820 0.042 0.000 2.586 260 A HA 0.876 5.198 4.320 0.005 0.000 0.290 260 A C -1.794 175.781 177.584 -0.015 0.000 1.086 260 A CA 0.312 52.343 52.037 -0.010 0.000 0.665 260 A CB 1.812 20.746 19.000 -0.109 0.000 1.279 260 A HN 1.824 nan 8.150 nan 0.000 0.423 261 D N -1.113 119.236 120.400 -0.084 0.000 2.609 261 D HA 0.682 5.325 4.640 0.005 0.000 0.239 261 D C -0.970 175.247 176.300 -0.138 0.000 1.229 261 D CA -0.421 53.524 54.000 -0.092 0.000 0.808 261 D CB 0.974 41.745 40.800 -0.048 0.000 1.448 261 D HN 0.548 nan 8.370 nan 0.000 0.433 262 I N -0.511 119.993 120.570 -0.111 0.000 2.846 262 I HA 0.517 4.690 4.170 0.005 0.000 0.307 262 I C -0.584 175.501 176.117 -0.053 0.000 1.053 262 I CA -0.987 60.263 61.300 -0.083 0.000 1.050 262 I CB 2.153 40.120 38.000 -0.054 0.000 1.239 262 I HN 0.306 nan 8.210 nan 0.000 0.439 263 E N 2.725 122.930 120.200 0.009 0.000 2.278 263 E HA 0.331 4.684 4.350 0.005 0.000 0.272 263 E C -1.221 175.308 176.600 -0.118 0.000 0.890 263 E CA -0.400 55.965 56.400 -0.058 0.000 0.770 263 E CB 2.770 32.501 29.700 0.052 0.000 1.212 263 E HN 0.748 nan 8.360 nan 0.000 0.415 264 T N -0.208 114.235 114.554 -0.183 0.000 2.943 264 T HA 0.704 5.057 4.350 0.005 0.000 0.284 264 T C -0.500 174.019 174.700 -0.301 0.000 1.015 264 T CA -0.477 61.644 62.100 0.035 0.000 1.042 264 T CB 0.865 69.935 68.868 0.336 0.000 1.055 264 T HN 0.284 nan 8.240 nan 0.000 0.500 265 Y N 0.193 120.702 120.300 0.348 0.000 2.524 265 Y HA 0.514 5.066 4.550 0.004 0.000 0.347 265 Y C 0.173 176.181 175.900 0.180 0.000 1.005 265 Y CA -1.873 56.385 58.100 0.263 0.000 1.025 265 Y CB 1.560 40.178 38.460 0.262 0.000 1.275 265 Y HN 0.743 nan 8.280 nan 0.000 0.460 266 L N 2.999 124.355 121.223 0.222 0.000 3.927 266 L HA -0.246 4.096 4.340 0.005 0.000 0.540 266 L C -0.611 176.305 176.870 0.077 0.000 1.118 266 L CA 0.093 54.953 54.840 0.033 0.000 0.761 266 L CB -0.938 41.040 42.059 -0.136 0.000 1.212 266 L HN 0.407 nan 8.230 nan 0.000 0.771 267 L N 2.229 123.488 121.223 0.059 0.000 2.380 267 L HA 0.167 4.510 4.340 0.005 0.000 0.273 267 L C 1.030 177.915 176.870 0.025 0.000 1.138 267 L CA 0.396 55.238 54.840 0.003 0.000 0.832 267 L CB 1.003 42.921 42.059 -0.235 0.000 1.124 267 L HN 0.290 nan 8.230 nan 0.000 0.454 268 E N 4.075 124.326 120.200 0.085 0.000 1.791 268 E HA 0.019 4.372 4.350 0.005 0.000 0.263 268 E C 0.395 177.055 176.600 0.100 0.000 1.213 268 E CA -0.020 56.425 56.400 0.074 0.000 0.991 268 E CB 0.326 30.063 29.700 0.062 0.000 1.068 268 E HN 0.649 nan 8.360 nan 0.000 0.417 269 K N 0.784 121.217 120.400 0.054 0.000 2.217 269 K HA -0.101 4.221 4.320 0.005 0.000 0.202 269 K C 1.948 178.556 176.600 0.012 0.000 1.051 269 K CA 1.097 57.409 56.287 0.042 0.000 0.952 269 K CB 0.047 32.573 32.500 0.044 0.000 0.736 269 K HN 0.299 nan 8.250 nan 0.000 0.453 270 S N 1.928 117.640 115.700 0.020 0.000 2.420 270 S HA -0.235 4.238 4.470 0.005 0.000 0.237 270 S C 2.051 176.651 174.600 0.001 0.000 1.023 270 S CA 1.317 59.533 58.200 0.027 0.000 0.991 270 S CB -0.352 62.887 63.200 0.065 0.000 0.792 270 S HN 0.310 nan 8.310 nan 0.000 0.488 271 R N 1.210 121.678 120.500 -0.053 0.000 2.096 271 R HA -0.040 4.303 4.340 0.005 0.000 0.235 271 R C 1.962 178.140 176.300 -0.203 0.000 1.127 271 R CA 1.431 57.428 56.100 -0.173 0.000 0.968 271 R CB -0.740 29.352 30.300 -0.346 0.000 0.861 271 R HN 0.365 nan 8.270 nan 0.000 0.440 272 V N 0.130 119.942 119.914 -0.170 0.000 2.439 272 V HA -0.262 3.861 4.120 0.005 0.000 0.253 272 V C 1.872 177.664 176.094 -0.505 0.000 1.074 272 V CA 2.323 64.444 62.300 -0.298 0.000 1.076 272 V CB -0.678 30.988 31.823 -0.261 0.000 0.664 272 V HN 0.708 nan 8.190 nan 0.000 0.461 273 T N -4.958 109.344 114.554 -0.420 0.000 3.043 273 T HA 0.258 4.611 4.350 0.005 0.000 0.272 273 T C -0.298 174.368 174.700 -0.057 0.000 0.990 273 T CA -0.176 61.598 62.100 -0.544 0.000 0.897 273 T CB 0.112 68.602 68.868 -0.631 0.000 1.111 273 T HN 0.358 nan 8.240 nan 0.000 0.529 274 Y N 1.574 121.776 120.300 -0.164 0.000 2.399 274 Y HA 0.628 5.182 4.550 0.006 0.000 0.327 274 Y C -1.957 173.892 175.900 -0.084 0.000 1.111 274 Y CA -1.209 56.844 58.100 -0.078 0.000 1.047 274 Y CB 1.709 40.136 38.460 -0.055 0.000 1.259 274 Y HN 0.007 nan 8.280 nan 0.000 0.434 275 Q N 3.745 123.118 119.800 -0.712 0.000 2.365 275 Q HA 0.461 4.804 4.340 0.005 0.000 0.269 275 Q C -1.117 174.360 176.000 -0.872 0.000 1.061 275 Q CA -0.872 54.519 55.803 -0.686 0.000 0.816 275 Q CB 2.540 31.100 28.738 -0.297 0.000 1.325 275 Q HN 0.748 nan 8.270 nan 0.000 0.446 276 Q N 0.332 119.742 119.800 -0.649 0.000 2.260 276 Q HA 0.415 4.758 4.340 0.005 0.000 0.238 276 Q C -0.356 175.530 176.000 -0.190 0.000 0.948 276 Q CA -0.356 55.231 55.803 -0.360 0.000 0.895 276 Q CB 1.198 29.808 28.738 -0.213 0.000 1.218 276 Q HN 0.684 nan 8.270 nan 0.000 0.470 277 S N 1.176 116.821 115.700 -0.092 0.000 2.558 277 S HA 0.190 4.663 4.470 0.005 0.000 0.291 277 S C 0.274 174.834 174.600 -0.067 0.000 1.306 277 S CA 0.722 58.887 58.200 -0.059 0.000 1.056 277 S CB 0.023 63.208 63.200 -0.024 0.000 0.836 277 S HN 1.056 nan 8.310 nan 0.000 0.504 278 A N 2.489 125.273 122.820 -0.060 0.000 2.887 278 A HA -0.139 4.184 4.320 0.005 0.000 0.257 278 A C 0.168 177.702 177.584 -0.083 0.000 1.372 278 A CA 1.478 53.479 52.037 -0.060 0.000 0.879 278 A CB -2.257 16.716 19.000 -0.045 0.000 1.082 278 A HN 0.839 nan 8.150 nan 0.000 0.703 279 E N -1.200 118.934 120.200 -0.110 0.000 2.343 279 E HA 0.667 5.019 4.350 0.005 0.000 0.270 279 E C -0.042 176.465 176.600 -0.155 0.000 0.895 279 E CA -1.035 55.280 56.400 -0.142 0.000 0.767 279 E CB 1.690 31.285 29.700 -0.175 0.000 1.248 279 E HN 0.497 nan 8.360 nan 0.000 0.440 280 R N 0.729 121.119 120.500 -0.185 0.000 2.943 280 R HA 0.412 4.755 4.340 0.005 0.000 0.246 280 R C 0.064 176.290 176.300 -0.124 0.000 1.201 280 R CA -0.929 55.071 56.100 -0.167 0.000 1.056 280 R CB 0.979 31.014 30.300 -0.443 0.000 1.243 280 R HN 0.425 nan 8.270 nan 0.000 0.498 281 N N 0.096 118.871 118.700 0.125 0.000 2.476 281 N HA 0.117 4.860 4.740 0.005 0.000 0.287 281 N C -0.766 174.799 175.510 0.091 0.000 1.262 281 N CA -0.255 52.801 53.050 0.011 0.000 0.980 281 N CB 0.346 38.854 38.487 0.035 0.000 1.163 281 N HN 0.231 nan 8.380 nan 0.000 0.592 282 Y N 1.547 121.984 120.300 0.229 0.000 2.811 282 Y HA -0.063 4.489 4.550 0.003 0.000 0.334 282 Y C 2.060 178.102 175.900 0.236 0.000 1.247 282 Y CA 0.322 58.494 58.100 0.119 0.000 1.526 282 Y CB 0.131 38.683 38.460 0.153 0.000 1.284 282 Y HN 0.501 nan 8.280 nan 0.000 0.586 283 H N 1.943 121.216 119.070 0.339 0.000 2.362 283 H HA -0.243 4.318 4.556 0.008 0.000 0.294 283 H C 2.253 177.699 175.328 0.196 0.000 1.113 283 H CA 2.138 58.347 56.048 0.268 0.000 1.253 283 H CB -0.263 29.590 29.762 0.153 0.000 1.363 283 H HN 0.758 nan 8.280 nan 0.000 0.494 284 I N 0.974 121.590 120.570 0.077 0.000 2.143 284 I HA -0.308 3.864 4.170 0.005 0.000 0.245 284 I C 1.989 177.935 176.117 -0.285 0.000 1.068 284 I CA 1.259 62.405 61.300 -0.257 0.000 1.326 284 I CB -0.696 36.789 38.000 -0.859 0.000 1.028 284 I HN -0.045 nan 8.210 nan 0.000 0.412 285 F N -0.411 119.498 119.950 -0.069 0.000 2.161 285 F HA -0.238 4.293 4.527 0.006 0.000 0.300 285 F C 2.166 177.711 175.800 -0.424 0.000 1.089 285 F CA 1.767 59.598 58.000 -0.281 0.000 1.282 285 F CB -1.203 37.565 39.000 -0.386 0.000 1.010 285 F HN 0.142 nan 8.300 nan 0.000 0.485 286 Y N -0.395 119.955 120.300 0.083 0.000 2.457 286 Y HA -0.073 4.480 4.550 0.004 0.000 0.292 286 Y C 2.230 178.058 175.900 -0.120 0.000 1.125 286 Y CA 0.506 58.613 58.100 0.012 0.000 1.254 286 Y CB -0.838 37.662 38.460 0.067 0.000 1.012 286 Y HN 0.145 nan 8.280 nan 0.000 0.555 287 Q N 0.374 120.109 119.800 -0.109 0.000 2.096 287 Q HA -0.071 4.272 4.340 0.005 0.000 0.197 287 Q C 2.241 177.586 176.000 -1.091 0.000 0.964 287 Q CA 1.653 57.215 55.803 -0.401 0.000 0.838 287 Q CB -0.303 28.279 28.738 -0.260 0.000 0.906 287 Q HN 0.696 nan 8.270 nan 0.000 0.444 288 I N -2.420 117.572 120.570 -0.964 0.000 2.916 288 I HA -0.077 4.096 4.170 0.005 0.000 0.267 288 I C 1.063 176.875 176.117 -0.508 0.000 1.263 288 I CA 0.657 61.389 61.300 -0.947 0.000 1.471 288 I CB -0.104 37.582 38.000 -0.523 0.000 1.089 288 I HN 0.031 nan 8.210 nan 0.000 0.468 289 C N 1.435 120.528 119.300 -0.346 0.000 2.647 289 C HA 0.311 4.773 4.460 0.005 0.000 0.296 289 C C 2.404 177.346 174.990 -0.080 0.000 1.403 289 C CA 0.279 59.203 59.018 -0.155 0.000 1.781 289 C CB -1.405 26.278 27.740 -0.095 0.000 2.464 289 C HN 0.701 nan 8.230 nan 0.000 0.559 290 S N 0.261 115.884 115.700 -0.128 0.000 2.483 290 S HA 0.026 4.499 4.470 0.005 0.000 0.221 290 S C 0.981 175.599 174.600 0.031 0.000 1.030 290 S CA 0.668 58.857 58.200 -0.018 0.000 0.925 290 S CB -0.384 62.818 63.200 0.003 0.000 0.795 290 S HN 0.676 nan 8.310 nan 0.000 0.511 291 N N 0.333 119.052 118.700 0.032 0.000 2.862 291 N HA -0.188 4.554 4.740 0.005 0.000 0.248 291 N C 0.688 176.264 175.510 0.110 0.000 1.116 291 N CA 0.623 53.715 53.050 0.069 0.000 0.727 291 N CB -1.457 37.059 38.487 0.050 0.000 1.083 291 N HN 0.616 nan 8.380 nan 0.000 0.555 292 A N 0.017 122.954 122.820 0.196 0.000 2.067 292 A HA 0.221 4.544 4.320 0.005 0.000 0.217 292 A C 1.168 178.821 177.584 0.115 0.000 1.156 292 A CA 0.802 52.948 52.037 0.182 0.000 0.683 292 A CB 0.242 19.412 19.000 0.283 0.000 0.808 292 A HN 0.389 nan 8.150 nan 0.000 0.455 293 I N -0.659 120.003 120.570 0.154 0.000 2.796 293 I HA 0.199 4.371 4.170 0.005 0.000 0.279 293 I C -2.283 173.882 176.117 0.081 0.000 1.289 293 I CA -1.516 59.818 61.300 0.057 0.000 1.021 293 I CB 1.880 39.845 38.000 -0.058 0.000 1.414 293 I HN -0.043 nan 8.210 nan 0.000 0.562 294 P HA -0.225 nan 4.420 nan 0.000 0.217 294 P C 1.295 178.625 177.300 0.050 0.000 1.148 294 P CA 1.346 64.478 63.100 0.055 0.000 0.828 294 P CB 0.101 31.827 31.700 0.043 0.000 0.783 295 E N -0.365 119.861 120.200 0.043 0.000 2.333 295 E HA -0.125 4.228 4.350 0.005 0.000 0.198 295 E C 1.508 178.141 176.600 0.054 0.000 1.007 295 E CA 0.888 57.314 56.400 0.043 0.000 0.845 295 E CB -0.809 28.912 29.700 0.034 0.000 0.766 295 E HN 0.353 nan 8.360 nan 0.000 0.507 296 L N 0.301 121.559 121.223 0.058 0.000 2.590 296 L HA 0.121 4.464 4.340 0.005 0.000 0.227 296 L C 1.655 178.565 176.870 0.066 0.000 1.099 296 L CA 0.038 54.918 54.840 0.066 0.000 0.872 296 L CB -0.245 41.840 42.059 0.042 0.000 1.088 296 L HN 0.056 nan 8.230 nan 0.000 0.479 297 N N 0.367 119.103 118.700 0.060 0.000 2.192 297 N HA -0.230 4.513 4.740 0.005 0.000 0.188 297 N C 1.338 176.896 175.510 0.080 0.000 1.013 297 N CA 1.347 54.433 53.050 0.059 0.000 0.863 297 N CB 0.119 38.639 38.487 0.056 0.000 0.990 297 N HN 0.343 nan 8.380 nan 0.000 0.430 298 D N -0.226 120.224 120.400 0.082 0.000 2.216 298 D HA 0.008 4.651 4.640 0.005 0.000 0.208 298 D C 1.687 178.063 176.300 0.128 0.000 0.960 298 D CA 0.531 54.587 54.000 0.094 0.000 0.861 298 D CB 0.381 41.227 40.800 0.077 0.000 0.985 298 D HN 0.020 nan 8.370 nan 0.000 0.493 299 V N 1.200 121.189 119.914 0.124 0.000 2.913 299 V HA -0.150 3.973 4.120 0.005 0.000 0.260 299 V C 2.059 178.250 176.094 0.160 0.000 1.098 299 V CA 1.140 63.525 62.300 0.141 0.000 1.121 299 V CB -0.297 31.601 31.823 0.125 0.000 0.714 299 V HN 0.224 nan 8.190 nan 0.000 0.487 300 M N -1.643 118.049 119.600 0.154 0.000 2.379 300 M HA 0.331 4.814 4.480 0.005 0.000 0.265 300 M C 0.506 176.941 176.300 0.225 0.000 1.095 300 M CA 0.157 55.557 55.300 0.167 0.000 1.075 300 M CB 0.688 33.350 32.600 0.105 0.000 1.443 300 M HN 0.051 nan 8.290 nan 0.000 0.519 301 L N 1.465 122.808 121.223 0.199 0.000 3.598 301 L HA -0.141 4.202 4.340 0.005 0.000 0.422 301 L C -0.346 176.714 176.870 0.317 0.000 1.262 301 L CA -0.307 54.662 54.840 0.215 0.000 0.889 301 L CB -2.176 39.989 42.059 0.177 0.000 1.857 301 L HN 0.327 nan 8.230 nan 0.000 0.858 302 V N -4.105 115.932 119.914 0.204 0.000 2.815 302 V HA 0.836 4.959 4.120 0.005 0.000 0.314 302 V C 0.557 176.753 176.094 0.169 0.000 1.064 302 V CA -0.321 62.092 62.300 0.187 0.000 0.952 302 V CB 2.050 33.862 31.823 -0.019 0.000 1.020 302 V HN 0.140 nan 8.190 nan 0.000 0.439 303 T N 4.594 119.291 114.554 0.238 0.000 2.771 303 T HA 0.451 4.803 4.350 0.005 0.000 0.281 303 T C -2.445 172.342 174.700 0.144 0.000 0.982 303 T CA -1.135 61.055 62.100 0.149 0.000 0.978 303 T CB 1.359 70.291 68.868 0.106 0.000 0.930 303 T HN 0.707 nan 8.240 nan 0.000 0.447 304 P HA -0.003 nan 4.420 nan 0.000 0.236 304 P C -0.565 176.776 177.300 0.069 0.000 1.360 304 P CA 0.668 63.804 63.100 0.059 0.000 0.829 304 P CB -0.164 31.561 31.700 0.043 0.000 1.635 305 D N -0.821 119.645 120.400 0.110 0.000 2.686 305 D HA 0.143 4.786 4.640 0.005 0.000 0.249 305 D C 0.549 176.937 176.300 0.146 0.000 1.260 305 D CA -0.372 53.683 54.000 0.091 0.000 0.910 305 D CB 1.580 42.402 40.800 0.038 0.000 1.323 305 D HN -0.173 nan 8.370 nan 0.000 0.561 306 S N 1.973 117.751 115.700 0.129 0.000 2.345 306 S HA -0.022 4.451 4.470 0.005 0.000 0.219 306 S C 1.917 176.601 174.600 0.140 0.000 1.031 306 S CA 0.979 59.267 58.200 0.147 0.000 0.984 306 S CB -0.133 63.190 63.200 0.205 0.000 0.874 306 S HN 0.678 nan 8.310 nan 0.000 0.451 307 G N 0.926 109.784 108.800 0.096 0.000 2.740 307 G HA2 -0.052 3.911 3.960 0.005 0.000 0.208 307 G HA3 -0.052 3.911 3.960 0.005 0.000 0.208 307 G C 1.085 175.978 174.900 -0.011 0.000 1.148 307 G CA 0.218 45.350 45.100 0.054 0.000 0.795 307 G HN 0.326 nan 8.290 nan 0.000 0.526 308 L N -0.947 120.244 121.223 -0.054 0.000 2.249 308 L HA 0.392 4.735 4.340 0.005 0.000 0.207 308 L C 0.126 176.742 176.870 -0.422 0.000 1.090 308 L CA 0.147 54.824 54.840 -0.272 0.000 0.802 308 L CB -0.037 41.768 42.059 -0.423 0.000 0.947 308 L HN 0.202 nan 8.230 nan 0.000 0.453 309 Y N -0.751 119.504 120.300 -0.075 0.000 2.328 309 Y HA 0.232 4.785 4.550 0.005 0.000 0.337 309 Y C 1.781 177.625 175.900 -0.093 0.000 1.008 309 Y CA -0.189 57.846 58.100 -0.109 0.000 1.129 309 Y CB 0.946 39.319 38.460 -0.144 0.000 1.185 309 Y HN 0.022 nan 8.280 nan 0.000 0.476 310 S N 1.023 116.721 115.700 -0.002 0.000 2.500 310 S HA -0.132 4.341 4.470 0.005 0.000 0.239 310 S C 1.224 175.901 174.600 0.128 0.000 0.989 310 S CA 0.781 58.984 58.200 0.005 0.000 0.951 310 S CB -0.328 62.835 63.200 -0.063 0.000 0.759 310 S HN 0.552 nan 8.310 nan 0.000 0.523 311 F N 1.795 121.727 119.950 -0.031 0.000 2.797 311 F HA 0.402 4.932 4.527 0.004 0.000 0.302 311 F C 1.599 177.271 175.800 -0.213 0.000 1.130 311 F CA -1.041 56.884 58.000 -0.124 0.000 1.387 311 F CB -0.308 38.572 39.000 -0.200 0.000 1.107 311 F HN 0.383 nan 8.300 nan 0.000 0.577 312 I N -3.432 117.153 120.570 0.026 0.000 4.779 312 I HA 0.199 4.372 4.170 0.005 0.000 0.339 312 I C 0.745 176.918 176.117 0.095 0.000 1.293 312 I CA 0.102 61.375 61.300 -0.044 0.000 1.324 312 I CB -0.311 37.496 38.000 -0.321 0.000 1.424 312 I HN -0.002 nan 8.210 nan 0.000 0.489 313 N N 0.933 119.685 118.700 0.087 0.000 2.295 313 N HA 0.121 4.864 4.740 0.005 0.000 0.221 313 N C 0.938 176.488 175.510 0.067 0.000 1.129 313 N CA -0.276 52.830 53.050 0.093 0.000 0.836 313 N CB 0.300 38.826 38.487 0.065 0.000 1.040 313 N HN 0.529 nan 8.380 nan 0.000 0.494 314 Q N 0.660 120.495 119.800 0.059 0.000 2.061 314 Q HA 0.065 4.408 4.340 0.005 0.000 0.195 314 Q C 1.607 177.609 176.000 0.004 0.000 0.967 314 Q CA 1.307 57.133 55.803 0.038 0.000 0.829 314 Q CB 0.031 28.796 28.738 0.045 0.000 0.900 314 Q HN 0.474 nan 8.270 nan 0.000 0.450 315 G N 0.475 109.258 108.800 -0.029 0.000 3.224 315 G HA2 0.097 4.060 3.960 0.005 0.000 0.161 315 G HA3 0.097 4.060 3.960 0.005 0.000 0.161 315 G C 0.236 175.122 174.900 -0.023 0.000 1.872 315 G CA 0.224 45.292 45.100 -0.055 0.000 1.012 315 G HN 0.530 nan 8.290 nan 0.000 0.504 316 C N -1.282 117.993 119.300 -0.042 0.000 2.345 316 C HA 0.787 5.249 4.460 0.005 0.000 0.370 316 C C 1.491 176.462 174.990 -0.033 0.000 1.209 316 C CA -0.795 58.203 59.018 -0.033 0.000 2.133 316 C CB 0.570 28.278 27.740 -0.053 0.000 2.293 316 C HN 0.501 nan 8.230 nan 0.000 0.544 317 L N 0.823 122.039 121.223 -0.012 0.000 2.500 317 L HA 0.206 4.549 4.340 0.005 0.000 0.219 317 L C 1.459 178.271 176.870 -0.097 0.000 1.057 317 L CA 0.714 55.564 54.840 0.017 0.000 0.854 317 L CB -0.422 41.709 42.059 0.120 0.000 1.078 317 L HN 0.986 nan 8.230 nan 0.000 0.480 318 T N -1.682 112.830 114.554 -0.070 0.000 2.949 318 T HA 0.715 5.067 4.350 0.005 0.000 0.287 318 T C -0.408 174.242 174.700 -0.082 0.000 1.034 318 T CA -0.666 61.393 62.100 -0.068 0.000 1.018 318 T CB 2.504 71.360 68.868 -0.019 0.000 1.135 318 T HN -0.183 nan 8.240 nan 0.000 0.532 319 V N 1.460 121.338 119.914 -0.060 0.000 2.733 319 V HA 0.299 4.422 4.120 0.005 0.000 0.306 319 V C 0.277 176.355 176.094 -0.026 0.000 1.084 319 V CA -0.934 61.340 62.300 -0.044 0.000 0.905 319 V CB 1.985 33.784 31.823 -0.040 0.000 1.010 319 V HN 0.991 nan 8.190 nan 0.000 0.424 320 D N 2.811 123.200 120.400 -0.018 0.000 2.087 320 D HA -0.190 4.452 4.640 0.005 0.000 0.192 320 D C 1.446 177.741 176.300 -0.008 0.000 0.993 320 D CA 2.402 56.396 54.000 -0.010 0.000 0.828 320 D CB 0.050 40.846 40.800 -0.008 0.000 0.968 320 D HN 0.892 nan 8.370 nan 0.000 0.448 321 N N 0.118 118.813 118.700 -0.007 0.000 2.383 321 N HA 0.007 4.750 4.740 0.005 0.000 0.192 321 N C 0.063 175.560 175.510 -0.022 0.000 1.141 321 N CA -0.048 52.998 53.050 -0.007 0.000 0.851 321 N CB 0.372 38.860 38.487 0.002 0.000 0.976 321 N HN 0.073 nan 8.380 nan 0.000 0.465 322 I N 1.675 122.226 120.570 -0.032 0.000 2.328 322 I HA 0.112 4.285 4.170 0.005 0.000 0.287 322 I C -0.430 175.668 176.117 -0.032 0.000 1.012 322 I CA -0.443 60.822 61.300 -0.059 0.000 1.195 322 I CB 1.103 39.047 38.000 -0.093 0.000 1.350 322 I HN 0.073 nan 8.210 nan 0.000 0.464 323 D N 6.408 126.796 120.400 -0.019 0.000 2.522 323 D HA 0.077 4.719 4.640 0.005 0.000 0.218 323 D C 0.916 177.231 176.300 0.025 0.000 1.149 323 D CA -0.156 53.848 54.000 0.007 0.000 0.981 323 D CB 0.619 41.427 40.800 0.013 0.000 1.041 323 D HN 0.367 nan 8.370 nan 0.000 0.518 324 D N 1.882 122.302 120.400 0.033 0.000 2.322 324 D HA -0.135 4.508 4.640 0.005 0.000 0.210 324 D C 1.766 178.127 176.300 0.101 0.000 0.983 324 D CA 0.772 54.811 54.000 0.066 0.000 0.902 324 D CB 0.799 41.651 40.800 0.087 0.000 0.905 324 D HN 0.314 nan 8.370 nan 0.000 0.483 325 V N 0.776 120.746 119.914 0.093 0.000 2.500 325 V HA -0.094 4.029 4.120 0.005 0.000 0.243 325 V C 2.417 178.588 176.094 0.129 0.000 1.039 325 V CA 0.937 63.312 62.300 0.124 0.000 1.053 325 V CB 0.020 31.895 31.823 0.087 0.000 0.695 325 V HN -0.014 nan 8.190 nan 0.000 0.463 326 E N 0.402 120.652 120.200 0.083 0.000 2.007 326 E HA -0.227 4.126 4.350 0.005 0.000 0.194 326 E C 2.229 178.876 176.600 0.079 0.000 0.999 326 E CA 1.367 57.804 56.400 0.062 0.000 0.811 326 E CB -0.262 29.460 29.700 0.036 0.000 0.762 326 E HN 0.500 nan 8.360 nan 0.000 0.450 327 E N 0.264 120.513 120.200 0.080 0.000 2.169 327 E HA -0.206 4.147 4.350 0.005 0.000 0.202 327 E C 1.827 178.534 176.600 0.180 0.000 1.016 327 E CA 0.880 57.335 56.400 0.091 0.000 0.817 327 E CB -0.486 29.246 29.700 0.052 0.000 0.736 327 E HN 0.180 nan 8.360 nan 0.000 0.462 328 F N 0.962 120.929 119.950 0.028 0.000 2.146 328 F HA -0.035 4.494 4.527 0.005 0.000 0.298 328 F C 1.809 177.640 175.800 0.052 0.000 1.096 328 F CA 1.431 59.453 58.000 0.036 0.000 1.275 328 F CB -0.232 38.764 39.000 -0.006 0.000 1.008 328 F HN -0.054 nan 8.300 nan 0.000 0.480 329 K N 0.161 120.538 120.400 -0.039 0.000 2.026 329 K HA -0.168 4.154 4.320 0.005 0.000 0.208 329 K C 2.115 178.672 176.600 -0.073 0.000 1.048 329 K CA 1.949 58.155 56.287 -0.136 0.000 0.929 329 K CB -0.500 31.975 32.500 -0.042 0.000 0.713 329 K HN 0.306 nan 8.250 nan 0.000 0.439 330 L N 0.537 121.758 121.223 -0.003 0.000 2.046 330 L HA -0.241 4.101 4.340 0.005 0.000 0.208 330 L C 2.823 179.709 176.870 0.026 0.000 1.077 330 L CA 0.914 55.760 54.840 0.010 0.000 0.747 330 L CB -0.600 41.471 42.059 0.020 0.000 0.896 330 L HN 0.394 nan 8.230 nan 0.000 0.432 331 C N 0.499 119.844 119.300 0.074 0.000 2.413 331 C HA -0.244 4.218 4.460 0.005 0.000 0.277 331 C C 2.632 177.756 174.990 0.223 0.000 1.228 331 C CA 1.554 60.661 59.018 0.149 0.000 1.731 331 C CB -0.678 27.253 27.740 0.320 0.000 2.042 331 C HN 0.707 nan 8.230 nan 0.000 0.468 332 D N 0.043 120.518 120.400 0.126 0.000 2.106 332 D HA -0.241 4.401 4.640 0.005 0.000 0.191 332 D C 2.102 178.483 176.300 0.135 0.000 0.997 332 D CA 2.232 56.315 54.000 0.139 0.000 0.834 332 D CB -0.363 40.344 40.800 -0.154 0.000 0.956 332 D HN 0.644 nan 8.370 nan 0.000 0.448 333 E N -0.039 120.189 120.200 0.047 0.000 2.077 333 E HA -0.103 4.250 4.350 0.005 0.000 0.193 333 E C 1.907 178.528 176.600 0.034 0.000 0.989 333 E CA 1.493 57.915 56.400 0.035 0.000 0.800 333 E CB -0.716 28.988 29.700 0.007 0.000 0.746 333 E HN 0.338 nan 8.360 nan 0.000 0.452 334 A N -0.230 122.590 122.820 0.000 0.000 1.917 334 A HA -0.190 4.133 4.320 0.005 0.000 0.219 334 A C 2.189 179.693 177.584 -0.133 0.000 1.182 334 A CA 1.683 53.665 52.037 -0.091 0.000 0.633 334 A CB -1.097 17.801 19.000 -0.169 0.000 0.819 334 A HN 0.400 nan 8.150 nan 0.000 0.448 335 F N 0.399 120.266 119.950 -0.137 0.000 2.102 335 F HA -0.186 4.344 4.527 0.006 0.000 0.298 335 F C 2.317 178.094 175.800 -0.038 0.000 1.105 335 F CA 1.673 59.521 58.000 -0.255 0.000 1.239 335 F CB -0.216 38.556 39.000 -0.380 0.000 0.991 335 F HN 0.219 nan 8.300 nan 0.000 0.474 336 D N 0.571 121.079 120.400 0.180 0.000 2.087 336 D HA -0.201 4.442 4.640 0.005 0.000 0.192 336 D C 2.359 178.720 176.300 0.101 0.000 0.993 336 D CA 1.643 55.722 54.000 0.132 0.000 0.828 336 D CB -0.606 40.243 40.800 0.082 0.000 0.968 336 D HN 0.251 nan 8.370 nan 0.000 0.448 337 I N 0.675 121.280 120.570 0.058 0.000 2.399 337 I HA -0.236 3.936 4.170 0.005 0.000 0.254 337 I C 2.195 178.337 176.117 0.042 0.000 1.146 337 I CA 0.620 61.939 61.300 0.032 0.000 1.412 337 I CB -0.165 37.837 38.000 0.003 0.000 1.076 337 I HN -0.025 nan 8.210 nan 0.000 0.432 338 L N 0.143 121.413 121.223 0.079 0.000 2.492 338 L HA 0.121 4.464 4.340 0.005 0.000 0.223 338 L C 1.681 178.655 176.870 0.172 0.000 1.132 338 L CA 0.729 55.642 54.840 0.122 0.000 0.850 338 L CB -0.190 41.972 42.059 0.171 0.000 0.966 338 L HN 0.491 nan 8.230 nan 0.000 0.454 339 G N -0.916 107.991 108.800 0.178 0.000 2.175 339 G HA2 -0.288 3.675 3.960 0.005 0.000 0.244 339 G HA3 -0.288 3.675 3.960 0.005 0.000 0.244 339 G C 0.217 175.213 174.900 0.160 0.000 0.982 339 G CA -0.555 44.617 45.100 0.120 0.000 0.641 339 G HN 0.087 nan 8.290 nan 0.000 0.527 340 F N 1.990 121.975 119.950 0.058 0.000 2.629 340 F HA 0.378 4.908 4.527 0.005 0.000 0.369 340 F C 1.633 177.449 175.800 0.027 0.000 1.125 340 F CA 1.034 59.078 58.000 0.073 0.000 1.330 340 F CB 0.507 39.614 39.000 0.177 0.000 1.071 340 F HN -0.016 nan 8.300 nan 0.000 0.595 341 T N 3.178 117.806 114.554 0.124 0.000 2.868 341 T HA 0.062 4.415 4.350 0.005 0.000 0.292 341 T C 1.325 176.062 174.700 0.061 0.000 1.028 341 T CA -0.540 61.597 62.100 0.063 0.000 1.059 341 T CB 1.301 70.177 68.868 0.014 0.000 0.991 341 T HN 0.549 nan 8.240 nan 0.000 0.531 342 K N 1.223 121.641 120.400 0.030 0.000 2.057 342 K HA -0.114 4.209 4.320 0.005 0.000 0.207 342 K C 2.197 178.786 176.600 -0.017 0.000 1.049 342 K CA 1.559 57.851 56.287 0.009 0.000 0.931 342 K CB -0.010 32.499 32.500 0.015 0.000 0.714 342 K HN 0.689 nan 8.250 nan 0.000 0.440 343 E N 0.305 120.497 120.200 -0.014 0.000 2.153 343 E HA -0.236 4.117 4.350 0.005 0.000 0.194 343 E C 1.350 177.917 176.600 -0.054 0.000 0.988 343 E CA 1.294 57.674 56.400 -0.033 0.000 0.811 343 E CB 0.109 29.792 29.700 -0.029 0.000 0.746 343 E HN 0.423 nan 8.360 nan 0.000 0.466 344 E N 0.714 120.903 120.200 -0.018 0.000 2.016 344 E HA -0.160 4.193 4.350 0.005 0.000 0.190 344 E C 2.209 178.760 176.600 -0.082 0.000 0.985 344 E CA 0.633 57.042 56.400 0.015 0.000 0.802 344 E CB -0.223 29.579 29.700 0.169 0.000 0.762 344 E HN 0.118 nan 8.360 nan 0.000 0.448 345 K N 1.329 121.645 120.400 -0.140 0.000 2.034 345 K HA -0.286 4.037 4.320 0.005 0.000 0.214 345 K C 2.197 178.320 176.600 -0.796 0.000 1.051 345 K CA 1.835 57.716 56.287 -0.677 0.000 0.931 345 K CB -0.077 32.049 32.500 -0.623 0.000 0.715 345 K HN 0.101 nan 8.250 nan 0.000 0.446 346 Q N -0.172 119.419 119.800 -0.349 0.000 2.124 346 Q HA -0.106 4.237 4.340 0.005 0.000 0.202 346 Q C 2.226 178.158 176.000 -0.113 0.000 0.977 346 Q CA 1.556 57.290 55.803 -0.114 0.000 0.850 346 Q CB 0.048 28.797 28.738 0.019 0.000 0.901 346 Q HN 0.286 nan 8.270 nan 0.000 0.429 347 S N -0.086 115.512 115.700 -0.169 0.000 2.382 347 S HA -0.120 4.353 4.470 0.005 0.000 0.228 347 S C 1.815 176.303 174.600 -0.187 0.000 1.027 347 S CA 0.860 58.962 58.200 -0.163 0.000 0.991 347 S CB -0.011 63.062 63.200 -0.211 0.000 0.823 347 S HN 0.310 nan 8.310 nan 0.000 0.469 348 M N 0.335 119.758 119.600 -0.294 0.000 2.067 348 M HA -0.041 4.442 4.480 0.005 0.000 0.260 348 M C 1.783 178.049 176.300 -0.057 0.000 1.069 348 M CA 1.505 56.646 55.300 -0.266 0.000 1.117 348 M CB -1.460 30.871 32.600 -0.448 0.000 1.334 348 M HN 0.287 nan 8.290 nan 0.000 0.407 349 F N 0.916 120.836 119.950 -0.049 0.000 2.095 349 F HA -0.190 4.339 4.527 0.002 0.000 0.298 349 F C 2.425 178.239 175.800 0.023 0.000 1.104 349 F CA 1.186 59.195 58.000 0.015 0.000 1.232 349 F CB -1.319 37.701 39.000 0.034 0.000 0.987 349 F HN 0.181 nan 8.300 nan 0.000 0.475 350 K N -0.527 119.993 120.400 0.200 0.000 2.032 350 K HA -0.200 4.123 4.320 0.005 0.000 0.209 350 K C 2.205 178.876 176.600 0.119 0.000 1.048 350 K CA 1.860 58.226 56.287 0.132 0.000 0.927 350 K CB -0.733 31.800 32.500 0.055 0.000 0.712 350 K HN 0.246 nan 8.250 nan 0.000 0.441 351 C N 0.517 119.863 119.300 0.077 0.000 2.422 351 C HA -0.088 4.374 4.460 0.005 0.000 0.279 351 C C 2.704 177.793 174.990 0.165 0.000 1.305 351 C CA 1.047 60.121 59.018 0.092 0.000 1.757 351 C CB -0.871 26.883 27.740 0.024 0.000 1.962 351 C HN 0.555 nan 8.230 nan 0.000 0.499 352 T N 1.158 115.817 114.554 0.174 0.000 2.701 352 T HA -0.085 4.268 4.350 0.005 0.000 0.263 352 T C 2.208 177.044 174.700 0.227 0.000 1.040 352 T CA 1.580 63.807 62.100 0.212 0.000 1.147 352 T CB -0.503 68.451 68.868 0.143 0.000 0.865 352 T HN 0.607 nan 8.240 nan 0.000 0.426 353 A N 2.163 125.065 122.820 0.138 0.000 1.940 353 A HA -0.149 4.173 4.320 0.005 0.000 0.219 353 A C 2.577 180.189 177.584 0.046 0.000 1.176 353 A CA 2.281 54.339 52.037 0.034 0.000 0.631 353 A CB -0.994 18.041 19.000 0.057 0.000 0.814 353 A HN 0.622 nan 8.150 nan 0.000 0.446 354 S N 0.132 115.949 115.700 0.195 0.000 2.399 354 S HA -0.119 4.354 4.470 0.005 0.000 0.231 354 S C 1.810 176.554 174.600 0.240 0.000 1.022 354 S CA 1.372 59.732 58.200 0.267 0.000 0.983 354 S CB -0.776 62.559 63.200 0.225 0.000 0.803 354 S HN 0.510 nan 8.310 nan 0.000 0.480 355 I N 1.407 122.140 120.570 0.271 0.000 2.361 355 I HA -0.140 4.033 4.170 0.005 0.000 0.251 355 I C 2.300 178.594 176.117 0.295 0.000 1.133 355 I CA 1.046 62.556 61.300 0.349 0.000 1.413 355 I CB -0.435 37.834 38.000 0.448 0.000 1.073 355 I HN 0.305 nan 8.210 nan 0.000 0.424 356 L N -0.269 120.987 121.223 0.055 0.000 2.093 356 L HA -0.220 4.123 4.340 0.005 0.000 0.208 356 L C 2.637 179.448 176.870 -0.098 0.000 1.085 356 L CA 1.169 55.888 54.840 -0.202 0.000 0.755 356 L CB -0.864 40.716 42.059 -0.798 0.000 0.904 356 L HN 0.360 nan 8.230 nan 0.000 0.435 357 H N -0.678 118.442 119.070 0.084 0.000 2.428 357 H HA -0.023 4.536 4.556 0.005 0.000 0.296 357 H C 2.345 177.688 175.328 0.025 0.000 1.062 357 H CA 1.048 57.157 56.048 0.102 0.000 1.350 357 H CB -0.062 29.762 29.762 0.103 0.000 1.403 357 H HN 0.365 nan 8.280 nan 0.000 0.533 358 M N -0.207 119.493 119.600 0.166 0.000 2.080 358 M HA -0.092 4.390 4.480 0.005 0.000 0.260 358 M C 2.480 178.697 176.300 -0.137 0.000 1.068 358 M CA 1.724 57.102 55.300 0.130 0.000 1.109 358 M CB -0.580 32.210 32.600 0.316 0.000 1.342 358 M HN 0.229 nan 8.290 nan 0.000 0.405 359 G N -0.393 108.001 108.800 -0.676 0.000 2.679 359 G HA2 -0.112 3.851 3.960 0.005 0.000 0.212 359 G HA3 -0.112 3.851 3.960 0.005 0.000 0.212 359 G C 1.191 175.770 174.900 -0.536 0.000 1.137 359 G CA 0.408 44.669 45.100 -1.398 0.000 0.787 359 G HN 0.354 nan 8.290 nan 0.000 0.534 360 E N 0.014 120.069 120.200 -0.242 0.000 2.465 360 E HA 0.189 4.541 4.350 0.005 0.000 0.195 360 E C 0.572 177.105 176.600 -0.113 0.000 1.028 360 E CA -0.064 56.264 56.400 -0.120 0.000 0.899 360 E CB 0.242 29.944 29.700 0.004 0.000 1.032 360 E HN 0.452 nan 8.360 nan 0.000 0.468 361 M N 1.092 120.615 119.600 -0.128 0.000 2.108 361 M HA 0.221 4.704 4.480 0.005 0.000 0.354 361 M C 0.367 176.458 176.300 -0.348 0.000 1.229 361 M CA -0.165 54.995 55.300 -0.233 0.000 1.081 361 M CB 1.153 33.647 32.600 -0.177 0.000 1.606 361 M HN -0.433 nan 8.290 nan 0.000 0.467 362 K N 2.669 122.788 120.400 -0.469 0.000 2.221 362 K HA 0.714 5.036 4.320 0.005 0.000 0.243 362 K C -1.480 174.705 176.600 -0.693 0.000 0.968 362 K CA -0.371 55.699 56.287 -0.362 0.000 0.846 362 K CB 1.543 33.948 32.500 -0.159 0.000 1.141 362 K HN 0.443 nan 8.250 nan 0.000 0.434 363 F N 0.574 120.520 119.950 -0.006 0.000 2.551 363 F HA 0.423 4.952 4.527 0.004 0.000 0.316 363 F C 0.391 176.190 175.800 -0.002 0.000 1.089 363 F CA -0.903 57.096 58.000 -0.001 0.000 0.915 363 F CB 1.698 40.701 39.000 0.005 0.000 1.186 363 F HN 0.193 nan 8.300 nan 0.000 0.456 364 K N 2.390 122.885 120.400 0.158 0.000 2.234 364 K HA 0.247 4.570 4.320 0.005 0.000 0.282 364 K C 0.458 177.118 176.600 0.100 0.000 1.039 364 K CA -0.354 55.988 56.287 0.091 0.000 0.928 364 K CB 1.071 33.601 32.500 0.050 0.000 1.039 364 K HN 0.828 nan 8.250 nan 0.000 0.470 365 Q N 3.463 123.305 119.800 0.070 0.000 1.988 365 Q HA 0.098 4.441 4.340 0.005 0.000 0.651 365 Q C -0.043 175.979 176.000 0.036 0.000 0.977 365 Q CA -0.169 55.665 55.803 0.052 0.000 0.748 365 Q CB -0.227 28.535 28.738 0.041 0.000 3.195 365 Q HN 0.353 nan 8.270 nan 0.000 0.286 366 R N 2.188 122.703 120.500 0.026 0.000 2.605 366 R HA 0.098 4.441 4.340 0.005 0.000 0.271 366 R C -1.728 174.582 176.300 0.017 0.000 1.418 366 R CA -0.849 55.263 56.100 0.019 0.000 1.102 366 R CB 0.127 30.436 30.300 0.015 0.000 1.131 366 R HN 0.449 nan 8.270 nan 0.000 0.554 367 P HA -0.058 nan 4.420 nan 0.000 0.213 367 P C 0.388 177.695 177.300 0.011 0.000 1.170 367 P CA 0.853 63.962 63.100 0.014 0.000 0.889 367 P CB 0.351 32.060 31.700 0.015 0.000 0.782 368 R N -1.075 119.431 120.500 0.010 0.000 2.493 368 R HA 0.169 4.512 4.340 0.005 0.000 0.404 368 R C -0.928 175.376 176.300 0.008 0.000 0.834 368 R CA 0.042 56.147 56.100 0.008 0.000 1.056 368 R CB -0.034 30.270 30.300 0.007 0.000 1.620 368 R HN 0.198 nan 8.270 nan 0.000 0.570 369 E N -1.185 119.021 120.200 0.010 0.000 2.446 369 E HA 0.207 4.560 4.350 0.005 0.000 0.276 369 E C -0.776 175.829 176.600 0.008 0.000 0.969 369 E CA -0.933 55.472 56.400 0.008 0.000 0.800 369 E CB 1.344 31.049 29.700 0.009 0.000 1.341 369 E HN -0.038 nan 8.360 nan 0.000 0.460 370 E N 0.503 120.707 120.200 0.006 0.000 2.403 370 E HA 0.008 4.361 4.350 0.005 0.000 0.188 370 E C -0.555 176.046 176.600 0.002 0.000 1.056 370 E CA 0.268 56.671 56.400 0.005 0.000 0.892 370 E CB 0.344 30.047 29.700 0.003 0.000 1.049 370 E HN 0.248 nan 8.360 nan 0.000 0.465 371 Q N 0.171 119.974 119.800 0.004 0.000 2.353 371 Q HA 0.569 4.912 4.340 0.005 0.000 0.268 371 Q C -0.950 175.055 176.000 0.008 0.000 1.045 371 Q CA -0.712 55.092 55.803 0.001 0.000 0.811 371 Q CB 1.957 30.696 28.738 0.001 0.000 1.305 371 Q HN 0.289 nan 8.270 nan 0.000 0.447 372 A N 2.658 125.478 122.820 0.001 0.000 2.296 372 A HA 0.452 4.775 4.320 0.005 0.000 0.264 372 A C -0.185 177.432 177.584 0.055 0.000 1.097 372 A CA 0.036 52.088 52.037 0.024 0.000 0.811 372 A CB 0.761 19.758 19.000 -0.006 0.000 1.072 372 A HN 0.811 nan 8.150 nan 0.000 0.495 373 E N -1.164 119.107 120.200 0.117 0.000 2.449 373 E HA 0.489 4.842 4.350 0.005 0.000 0.278 373 E C -0.601 176.158 176.600 0.265 0.000 0.992 373 E CA -0.462 56.025 56.400 0.145 0.000 0.807 373 E CB 1.950 31.701 29.700 0.085 0.000 1.350 373 E HN 0.816 nan 8.360 nan 0.000 0.462 374 S N -0.029 115.800 115.700 0.215 0.000 2.645 374 S HA 0.323 4.796 4.470 0.005 0.000 0.266 374 S C -0.131 174.451 174.600 -0.029 0.000 1.258 374 S CA -0.544 57.716 58.200 0.101 0.000 0.990 374 S CB 1.198 64.415 63.200 0.027 0.000 0.967 374 S HN 0.545 nan 8.310 nan 0.000 0.556 375 D N -0.684 119.619 120.400 -0.162 0.000 2.613 375 D HA 0.513 5.156 4.640 0.005 0.000 0.312 375 D C 0.078 176.295 176.300 -0.138 0.000 1.202 375 D CA 0.735 54.665 54.000 -0.117 0.000 0.825 375 D CB -0.111 40.625 40.800 -0.107 0.000 1.113 375 D HN 1.144 nan 8.370 nan 0.000 0.502 376 G N -0.099 108.634 108.800 -0.111 0.000 2.497 376 G HA2 -0.082 3.881 3.960 0.005 0.000 0.686 376 G HA3 -0.082 3.881 3.960 0.005 0.000 0.686 376 G C 0.444 175.277 174.900 -0.111 0.000 1.288 376 G CA -0.055 44.984 45.100 -0.101 0.000 0.899 376 G HN 0.142 nan 8.290 nan 0.000 0.608 377 T N 0.272 114.773 114.554 -0.089 0.000 3.028 377 T HA 0.488 4.841 4.350 0.005 0.000 0.250 377 T C 2.695 177.344 174.700 -0.085 0.000 0.979 377 T CA 1.835 63.887 62.100 -0.079 0.000 1.004 377 T CB -0.251 68.585 68.868 -0.053 0.000 1.120 377 T HN 2.168 nan 8.240 nan 0.000 0.482 378 A N 2.315 125.083 122.820 -0.087 0.000 1.670 378 A HA -0.431 3.892 4.320 0.005 0.000 0.312 378 A C 1.974 179.489 177.584 -0.114 0.000 3.495 378 A CA 2.808 54.786 52.037 -0.097 0.000 0.917 378 A CB -1.239 17.707 19.000 -0.089 0.000 0.783 378 A HN 0.456 nan 8.150 nan 0.000 0.530 379 E N -1.082 119.059 120.200 -0.100 0.000 2.077 379 E HA 0.076 4.429 4.350 0.005 0.000 0.193 379 E C 2.242 178.812 176.600 -0.050 0.000 0.989 379 E CA 1.625 57.979 56.400 -0.077 0.000 0.800 379 E CB -0.483 29.183 29.700 -0.058 0.000 0.746 379 E HN 0.696 nan 8.360 nan 0.000 0.452 380 A N -0.143 122.648 122.820 -0.048 0.000 2.067 380 A HA -0.043 4.279 4.320 0.005 0.000 0.217 380 A C 1.934 179.518 177.584 -0.001 0.000 1.156 380 A CA 1.056 53.089 52.037 -0.006 0.000 0.683 380 A CB -0.202 18.791 19.000 -0.012 0.000 0.808 380 A HN 0.170 nan 8.150 nan 0.000 0.455 381 E N -0.107 120.073 120.200 -0.033 0.000 2.086 381 E HA -0.067 4.286 4.350 0.005 0.000 0.190 381 E C 1.884 178.477 176.600 -0.010 0.000 0.975 381 E CA 0.915 57.300 56.400 -0.026 0.000 0.813 381 E CB 0.021 29.681 29.700 -0.066 0.000 0.768 381 E HN 0.550 nan 8.360 nan 0.000 0.457 382 K N 0.012 120.362 120.400 -0.083 0.000 2.097 382 K HA -0.102 4.221 4.320 0.005 0.000 0.205 382 K C 2.046 178.666 176.600 0.033 0.000 1.050 382 K CA 1.070 57.291 56.287 -0.109 0.000 0.938 382 K CB 0.019 32.252 32.500 -0.445 0.000 0.718 382 K HN -0.007 nan 8.250 nan 0.000 0.442 383 V N 1.390 121.329 119.914 0.041 0.000 2.295 383 V HA -0.254 3.868 4.120 0.005 0.000 0.246 383 V C 2.344 178.497 176.094 0.100 0.000 1.049 383 V CA 2.056 64.424 62.300 0.113 0.000 1.024 383 V CB -0.685 31.208 31.823 0.117 0.000 0.648 383 V HN 0.362 nan 8.190 nan 0.000 0.447 384 A N -0.762 122.108 122.820 0.085 0.000 1.940 384 A HA -0.243 4.079 4.320 0.005 0.000 0.219 384 A C 2.140 179.795 177.584 0.117 0.000 1.176 384 A CA 2.034 54.116 52.037 0.076 0.000 0.631 384 A CB -0.716 18.325 19.000 0.067 0.000 0.814 384 A HN 0.526 nan 8.150 nan 0.000 0.446 385 F N 0.354 120.294 119.950 -0.017 0.000 2.031 385 F HA -0.178 4.351 4.527 0.004 0.000 0.295 385 F C 2.016 177.816 175.800 0.001 0.000 1.133 385 F CA 1.890 59.883 58.000 -0.013 0.000 1.188 385 F CB -0.175 38.812 39.000 -0.021 0.000 0.974 385 F HN 0.144 nan 8.300 nan 0.000 0.473 386 L N -0.674 120.609 121.223 0.100 0.000 2.191 386 L HA -0.274 4.069 4.340 0.005 0.000 0.212 386 L C 2.068 178.916 176.870 -0.037 0.000 1.103 386 L CA 0.735 55.580 54.840 0.009 0.000 0.769 386 L CB -0.755 41.383 42.059 0.131 0.000 0.908 386 L HN 0.312 nan 8.230 nan 0.000 0.438 387 C N 0.035 119.327 119.300 -0.014 0.000 2.697 387 C HA 0.350 4.812 4.460 0.005 0.000 0.267 387 C C 1.734 176.678 174.990 -0.077 0.000 1.278 387 C CA 0.025 59.019 59.018 -0.041 0.000 1.708 387 C CB -1.141 26.582 27.740 -0.030 0.000 1.860 387 C HN 0.771 nan 8.230 nan 0.000 0.589 388 G N 2.110 110.851 108.800 -0.099 0.000 2.273 388 G HA2 -0.249 3.713 3.960 0.005 0.000 0.280 388 G HA3 -0.249 3.713 3.960 0.005 0.000 0.280 388 G C -0.100 174.763 174.900 -0.062 0.000 1.047 388 G CA 0.890 45.926 45.100 -0.106 0.000 0.869 388 G HN 0.780 nan 8.290 nan 0.000 0.502 389 I N -4.330 116.219 120.570 -0.035 0.000 3.445 389 I HA 0.764 4.937 4.170 0.005 0.000 0.303 389 I C -0.152 175.969 176.117 0.007 0.000 1.129 389 I CA -1.838 59.447 61.300 -0.024 0.000 0.989 389 I CB 1.617 39.591 38.000 -0.044 0.000 1.314 389 I HN -0.066 nan 8.210 nan 0.000 0.488 390 N N 0.786 119.489 118.700 0.005 0.000 2.434 390 N HA 0.502 5.245 4.740 0.005 0.000 0.272 390 N C 0.628 176.149 175.510 0.020 0.000 1.040 390 N CA 0.262 53.323 53.050 0.017 0.000 0.956 390 N CB 1.876 40.370 38.487 0.011 0.000 1.108 390 N HN 0.742 nan 8.380 nan 0.000 0.481 391 A N 2.583 125.420 122.820 0.027 0.000 2.015 391 A HA 0.006 4.328 4.320 0.005 0.000 0.219 391 A C 1.908 179.507 177.584 0.024 0.000 1.163 391 A CA 1.597 53.650 52.037 0.026 0.000 0.646 391 A CB -0.818 18.194 19.000 0.019 0.000 0.806 391 A HN 0.745 nan 8.150 nan 0.000 0.448 392 G N -0.334 108.477 108.800 0.019 0.000 2.394 392 G HA2 -0.170 3.793 3.960 0.005 0.000 0.215 392 G HA3 -0.170 3.793 3.960 0.005 0.000 0.215 392 G C 1.153 176.066 174.900 0.021 0.000 1.165 392 G CA 1.168 46.279 45.100 0.019 0.000 0.784 392 G HN 0.453 nan 8.290 nan 0.000 0.535 393 D N -0.082 120.327 120.400 0.016 0.000 2.084 393 D HA -0.095 4.548 4.640 0.005 0.000 0.194 393 D C 2.362 178.672 176.300 0.015 0.000 0.990 393 D CA 0.643 54.650 54.000 0.011 0.000 0.826 393 D CB -0.287 40.514 40.800 0.003 0.000 0.971 393 D HN 0.176 nan 8.370 nan 0.000 0.453 394 L N 0.370 121.603 121.223 0.017 0.000 1.990 394 L HA -0.148 4.195 4.340 0.005 0.000 0.213 394 L C 1.988 178.888 176.870 0.050 0.000 1.072 394 L CA 1.696 56.550 54.840 0.024 0.000 0.755 394 L CB -0.654 41.422 42.059 0.028 0.000 0.889 394 L HN 0.114 nan 8.230 nan 0.000 0.432 395 L N -0.703 120.559 121.223 0.065 0.000 2.201 395 L HA -0.184 4.159 4.340 0.005 0.000 0.212 395 L C 2.623 179.540 176.870 0.078 0.000 1.105 395 L CA 1.333 56.234 54.840 0.100 0.000 0.775 395 L CB -0.431 41.690 42.059 0.103 0.000 0.913 395 L HN 0.386 nan 8.230 nan 0.000 0.440 396 K N 0.163 120.592 120.400 0.048 0.000 2.103 396 K HA -0.116 4.207 4.320 0.005 0.000 0.204 396 K C 2.025 178.640 176.600 0.026 0.000 1.052 396 K CA 1.142 57.450 56.287 0.035 0.000 0.945 396 K CB 0.046 32.561 32.500 0.024 0.000 0.722 396 K HN 0.256 nan 8.250 nan 0.000 0.443 397 A N 0.628 123.462 122.820 0.023 0.000 1.975 397 A HA -0.021 4.302 4.320 0.005 0.000 0.215 397 A C 1.895 179.486 177.584 0.012 0.000 1.170 397 A CA 0.571 52.617 52.037 0.014 0.000 0.656 397 A CB -0.287 18.719 19.000 0.009 0.000 0.821 397 A HN 0.320 nan 8.150 nan 0.000 0.449 398 L N -0.445 120.794 121.223 0.026 0.000 2.156 398 L HA 0.039 4.382 4.340 0.005 0.000 0.208 398 L C 2.004 178.854 176.870 -0.033 0.000 1.095 398 L CA 1.150 55.998 54.840 0.013 0.000 0.770 398 L CB -0.227 41.874 42.059 0.070 0.000 0.914 398 L HN 0.384 nan 8.230 nan 0.000 0.439 399 L N -0.728 120.494 121.223 -0.002 0.000 1.946 399 L HA -0.055 4.288 4.340 0.005 0.000 0.213 399 L C 1.032 177.887 176.870 -0.026 0.000 1.149 399 L CA 0.494 55.319 54.840 -0.025 0.000 0.910 399 L CB -0.381 41.699 42.059 0.034 0.000 0.939 399 L HN -0.041 nan 8.230 nan 0.000 0.501 400 K N 1.260 121.658 120.400 -0.005 0.000 2.231 400 K HA 0.231 4.554 4.320 0.005 0.000 0.275 400 K C -2.305 174.293 176.600 -0.002 0.000 1.105 400 K CA -1.777 54.506 56.287 -0.006 0.000 0.931 400 K CB 0.913 33.414 32.500 0.001 0.000 1.296 400 K HN -0.129 nan 8.250 nan 0.000 0.446 401 P HA -0.150 nan 4.420 nan 0.000 0.276 401 P C -1.303 175.998 177.300 0.002 0.000 1.286 401 P CA 0.458 63.558 63.100 -0.000 0.000 0.883 401 P CB 0.333 32.032 31.700 -0.002 0.000 1.125 402 K N -0.389 120.013 120.400 0.004 0.000 2.762 402 K HA 0.334 4.657 4.320 0.005 0.000 0.272 402 K C -1.034 175.570 176.600 0.007 0.000 1.093 402 K CA -0.414 55.876 56.287 0.005 0.000 1.048 402 K CB 0.718 33.221 32.500 0.005 0.000 1.304 402 K HN 0.065 nan 8.250 nan 0.000 0.511 403 V N 2.609 122.526 119.914 0.005 0.000 3.698 403 V HA 0.273 4.396 4.120 0.005 0.000 0.280 403 V C 0.059 176.156 176.094 0.006 0.000 0.995 403 V CA -0.096 62.207 62.300 0.006 0.000 1.000 403 V CB 1.270 33.096 31.823 0.004 0.000 1.248 403 V HN 0.733 nan 8.190 nan 0.000 0.429 404 K N 0.956 121.359 120.400 0.005 0.000 2.682 404 K HA 0.428 4.751 4.320 0.005 0.000 0.189 404 K C -1.243 175.357 176.600 -0.000 0.000 1.062 404 K CA -0.287 56.003 56.287 0.004 0.000 0.997 404 K CB 0.980 33.484 32.500 0.007 0.000 1.405 404 K HN 0.445 nan 8.250 nan 0.000 0.588 405 V N 1.764 121.677 119.914 -0.003 0.000 2.583 405 V HA 0.198 4.320 4.120 0.005 0.000 0.287 405 V C 1.140 177.231 176.094 -0.006 0.000 1.051 405 V CA -0.535 61.761 62.300 -0.006 0.000 1.010 405 V CB 1.246 33.064 31.823 -0.008 0.000 0.988 405 V HN 0.733 nan 8.190 nan 0.000 0.478 406 G N 2.923 111.718 108.800 -0.008 0.000 2.349 406 G HA2 0.177 4.140 3.960 0.005 0.000 0.232 406 G HA3 0.177 4.140 3.960 0.005 0.000 0.232 406 G C 0.887 175.784 174.900 -0.006 0.000 1.240 406 G CA 0.607 45.703 45.100 -0.007 0.000 0.870 406 G HN 1.130 nan 8.290 nan 0.000 0.528 407 T N 0.167 114.719 114.554 -0.004 0.000 8.545 407 T HA -0.239 4.114 4.350 0.005 0.000 0.372 407 T C 0.632 175.330 174.700 -0.002 0.000 1.696 407 T CA 2.103 64.201 62.100 -0.003 0.000 2.567 407 T CB -0.826 68.040 68.868 -0.003 0.000 2.873 407 T HN 0.840 nan 8.240 nan 0.000 1.271 408 E N -0.159 120.040 120.200 -0.002 0.000 3.451 408 E HA 0.100 4.452 4.350 0.005 0.000 0.263 408 E C 0.417 177.016 176.600 -0.002 0.000 1.087 408 E CA -0.217 56.182 56.400 -0.002 0.000 1.287 408 E CB 0.110 29.808 29.700 -0.002 0.000 1.227 408 E HN 0.712 nan 8.360 nan 0.000 0.390 409 M N 0.013 119.613 119.600 -0.001 0.000 2.219 409 M HA 0.060 4.543 4.480 0.005 0.000 0.340 409 M C -0.210 176.090 176.300 0.000 0.000 1.135 409 M CA 0.644 55.944 55.300 0.000 0.000 0.976 409 M CB 0.110 32.711 32.600 0.002 0.000 1.713 409 M HN -0.115 nan 8.290 nan 0.000 0.457 410 V N 2.033 121.947 119.914 -0.000 0.000 3.406 410 V HA 0.601 4.724 4.120 0.005 0.000 0.305 410 V C 0.344 176.439 176.094 0.001 0.000 1.136 410 V CA -0.883 61.417 62.300 0.000 0.000 1.011 410 V CB 1.564 33.387 31.823 -0.001 0.000 1.221 410 V HN 0.966 nan 8.190 nan 0.000 0.454 411 T N 1.076 115.631 114.554 0.001 0.000 2.824 411 T HA 0.467 4.820 4.350 0.005 0.000 0.282 411 T C -0.499 174.201 174.700 -0.000 0.000 0.993 411 T CA -0.515 61.586 62.100 0.001 0.000 0.967 411 T CB 1.032 69.901 68.868 0.002 0.000 0.960 411 T HN 0.601 nan 8.240 nan 0.000 0.441 412 K N 1.104 121.503 120.400 -0.001 0.000 2.238 412 K HA 0.704 5.027 4.320 0.005 0.000 0.239 412 K C 0.024 176.620 176.600 -0.006 0.000 0.987 412 K CA -0.934 55.351 56.287 -0.003 0.000 0.857 412 K CB 1.761 34.259 32.500 -0.003 0.000 1.154 412 K HN 0.658 nan 8.250 nan 0.000 0.439 413 G N 1.384 110.180 108.800 -0.007 0.000 2.368 413 G HA2 0.242 4.205 3.960 0.005 0.000 0.320 413 G HA3 0.242 4.205 3.960 0.005 0.000 0.320 413 G C -0.704 174.185 174.900 -0.019 0.000 1.158 413 G CA -0.368 44.726 45.100 -0.011 0.000 0.912 413 G HN 0.305 nan 8.290 nan 0.000 0.456 414 Q N 0.936 120.718 119.800 -0.031 0.000 2.205 414 Q HA 0.275 4.618 4.340 0.005 0.000 0.249 414 Q C -0.276 175.692 176.000 -0.054 0.000 0.948 414 Q CA -0.729 55.044 55.803 -0.050 0.000 0.895 414 Q CB 2.289 30.979 28.738 -0.080 0.000 1.249 414 Q HN 0.618 nan 8.270 nan 0.000 0.458 415 N N 0.464 119.128 118.700 -0.060 0.000 2.530 415 N HA 0.199 4.942 4.740 0.005 0.000 0.283 415 N C 0.882 176.346 175.510 -0.077 0.000 1.238 415 N CA -0.402 52.618 53.050 -0.050 0.000 0.971 415 N CB 1.064 39.533 38.487 -0.031 0.000 1.195 415 N HN 0.421 nan 8.380 nan 0.000 0.583 416 M N 1.237 120.811 119.600 -0.043 0.000 2.067 416 M HA -0.121 4.362 4.480 0.005 0.000 0.260 416 M C 1.384 177.654 176.300 -0.050 0.000 1.069 416 M CA 1.872 57.151 55.300 -0.034 0.000 1.117 416 M CB -1.560 31.046 32.600 0.010 0.000 1.334 416 M HN 0.513 nan 8.290 nan 0.000 0.407 417 N N 0.093 118.776 118.700 -0.028 0.000 2.039 417 N HA -0.181 4.562 4.740 0.005 0.000 0.193 417 N C 1.630 177.116 175.510 -0.039 0.000 1.044 417 N CA 1.574 54.612 53.050 -0.020 0.000 0.847 417 N CB -0.298 38.184 38.487 -0.008 0.000 1.030 417 N HN 0.397 nan 8.380 nan 0.000 0.422 418 Q N -0.297 119.474 119.800 -0.048 0.000 2.152 418 Q HA -0.127 4.216 4.340 0.005 0.000 0.206 418 Q C 1.873 177.817 176.000 -0.092 0.000 0.985 418 Q CA 1.241 57.012 55.803 -0.054 0.000 0.863 418 Q CB -0.067 28.642 28.738 -0.048 0.000 0.904 418 Q HN 0.222 nan 8.270 nan 0.000 0.422 419 V N 0.273 120.083 119.914 -0.174 0.000 2.407 419 V HA -0.173 3.950 4.120 0.005 0.000 0.245 419 V C 2.261 178.199 176.094 -0.261 0.000 1.041 419 V CA 1.479 63.591 62.300 -0.313 0.000 1.040 419 V CB -0.418 31.018 31.823 -0.645 0.000 0.671 419 V HN 0.423 nan 8.190 nan 0.000 0.455 420 V N -0.767 119.048 119.914 -0.165 0.000 2.626 420 V HA -0.132 3.991 4.120 0.005 0.000 0.252 420 V C 1.787 177.918 176.094 0.062 0.000 1.067 420 V CA 2.392 64.696 62.300 0.008 0.000 1.081 420 V CB -1.060 30.807 31.823 0.074 0.000 0.686 420 V HN 0.528 nan 8.190 nan 0.000 0.468 421 N N 0.525 119.237 118.700 0.021 0.000 2.467 421 N HA 0.059 4.802 4.740 0.005 0.000 0.184 421 N C 1.712 177.247 175.510 0.042 0.000 1.106 421 N CA 1.103 54.177 53.050 0.039 0.000 0.892 421 N CB 0.057 38.555 38.487 0.018 0.000 0.969 421 N HN 0.526 nan 8.380 nan 0.000 0.454 422 S N -1.057 114.657 115.700 0.023 0.000 2.486 422 S HA 0.099 4.572 4.470 0.005 0.000 0.220 422 S C 1.868 176.517 174.600 0.082 0.000 1.011 422 S CA 0.007 58.228 58.200 0.035 0.000 0.921 422 S CB 0.325 63.523 63.200 -0.004 0.000 0.785 422 S HN 0.055 nan 8.310 nan 0.000 0.517 423 V N 1.737 121.719 119.914 0.113 0.000 2.323 423 V HA -0.049 4.074 4.120 0.005 0.000 0.244 423 V C 2.628 178.871 176.094 0.248 0.000 1.041 423 V CA 1.950 64.371 62.300 0.200 0.000 1.025 423 V CB -1.317 30.664 31.823 0.263 0.000 0.656 423 V HN 0.549 nan 8.190 nan 0.000 0.451 424 G N -0.327 108.616 108.800 0.238 0.000 2.432 424 G HA2 -0.197 3.766 3.960 0.005 0.000 0.219 424 G HA3 -0.197 3.766 3.960 0.005 0.000 0.219 424 G C 1.746 176.688 174.900 0.071 0.000 1.135 424 G CA 1.059 46.247 45.100 0.146 0.000 0.767 424 G HN 0.590 nan 8.290 nan 0.000 0.550 425 A N 0.421 123.295 122.820 0.090 0.000 1.902 425 A HA 0.071 4.394 4.320 0.005 0.000 0.217 425 A C 2.340 179.995 177.584 0.119 0.000 1.181 425 A CA 1.612 53.699 52.037 0.083 0.000 0.623 425 A CB -0.440 18.605 19.000 0.075 0.000 0.818 425 A HN 0.409 nan 8.150 nan 0.000 0.443 426 L N -0.205 121.106 121.223 0.147 0.000 2.017 426 L HA -0.102 4.241 4.340 0.005 0.000 0.208 426 L C 2.730 179.733 176.870 0.221 0.000 1.073 426 L CA 2.275 57.230 54.840 0.191 0.000 0.745 426 L CB -0.762 41.402 42.059 0.175 0.000 0.894 426 L HN 0.355 nan 8.230 nan 0.000 0.432 427 A N -0.648 122.291 122.820 0.199 0.000 1.858 427 A HA -0.244 4.079 4.320 0.005 0.000 0.216 427 A C 2.323 180.010 177.584 0.172 0.000 1.190 427 A CA 2.065 54.219 52.037 0.195 0.000 0.617 427 A CB -0.569 18.487 19.000 0.093 0.000 0.827 427 A HN 0.492 nan 8.150 nan 0.000 0.443 428 K N -0.509 119.940 120.400 0.083 0.000 2.009 428 K HA -0.156 4.166 4.320 0.005 0.000 0.210 428 K C 2.488 179.176 176.600 0.146 0.000 1.049 428 K CA 1.630 57.968 56.287 0.084 0.000 0.929 428 K CB -0.347 32.175 32.500 0.037 0.000 0.714 428 K HN 0.449 nan 8.250 nan 0.000 0.440 429 S N 0.929 116.712 115.700 0.140 0.000 2.399 429 S HA -0.127 4.346 4.470 0.005 0.000 0.231 429 S C 1.891 176.562 174.600 0.118 0.000 1.022 429 S CA 0.916 59.189 58.200 0.123 0.000 0.983 429 S CB -0.156 63.128 63.200 0.140 0.000 0.803 429 S HN 0.242 nan 8.310 nan 0.000 0.480 430 L N 0.464 121.822 121.223 0.225 0.000 2.044 430 L HA 0.084 4.427 4.340 0.005 0.000 0.205 430 L C 1.976 178.954 176.870 0.181 0.000 1.075 430 L CA 1.973 56.962 54.840 0.249 0.000 0.747 430 L CB -1.273 41.010 42.059 0.374 0.000 0.903 430 L HN 0.449 nan 8.230 nan 0.000 0.435 431 Y N 0.452 120.832 120.300 0.132 0.000 2.097 431 Y HA -0.322 4.231 4.550 0.004 0.000 0.282 431 Y C 2.473 178.420 175.900 0.080 0.000 1.152 431 Y CA 2.259 60.438 58.100 0.132 0.000 1.136 431 Y CB -0.409 38.146 38.460 0.158 0.000 0.975 431 Y HN 0.439 nan 8.280 nan 0.000 0.498 432 D N -0.614 119.935 120.400 0.249 0.000 2.103 432 D HA -0.215 4.427 4.640 0.005 0.000 0.190 432 D C 2.229 178.577 176.300 0.081 0.000 0.997 432 D CA 2.042 56.132 54.000 0.150 0.000 0.833 432 D CB -0.161 40.700 40.800 0.102 0.000 0.961 432 D HN 0.276 nan 8.370 nan 0.000 0.447 433 R N -0.408 120.091 120.500 -0.003 0.000 2.113 433 R HA -0.183 4.160 4.340 0.005 0.000 0.244 433 R C 2.566 178.850 176.300 -0.026 0.000 1.142 433 R CA 1.621 57.677 56.100 -0.073 0.000 0.953 433 R CB -0.442 29.697 30.300 -0.267 0.000 0.860 433 R HN 0.338 nan 8.270 nan 0.000 0.438 434 M N -0.182 119.381 119.600 -0.061 0.000 2.080 434 M HA -0.215 4.268 4.480 0.005 0.000 0.260 434 M C 2.062 178.315 176.300 -0.078 0.000 1.068 434 M CA 1.766 57.007 55.300 -0.099 0.000 1.109 434 M CB -0.166 32.311 32.600 -0.205 0.000 1.342 434 M HN 0.154 nan 8.290 nan 0.000 0.405 435 F N 1.189 120.956 119.950 -0.305 0.000 2.134 435 F HA -0.268 4.261 4.527 0.004 0.000 0.299 435 F C 2.028 177.713 175.800 -0.190 0.000 1.097 435 F CA 1.775 59.576 58.000 -0.331 0.000 1.264 435 F CB -0.429 38.385 39.000 -0.309 0.000 1.001 435 F HN 0.257 nan 8.300 nan 0.000 0.479 436 N N -0.416 118.307 118.700 0.040 0.000 2.166 436 N HA -0.250 4.492 4.740 0.005 0.000 0.186 436 N C 1.625 177.073 175.510 -0.103 0.000 1.019 436 N CA 1.550 54.575 53.050 -0.042 0.000 0.856 436 N CB -0.939 37.568 38.487 0.033 0.000 0.993 436 N HN 0.583 nan 8.380 nan 0.000 0.426 437 W N 2.077 123.257 121.300 -0.200 0.000 2.388 437 W HA 0.045 4.708 4.660 0.004 0.000 0.294 437 W C 2.103 178.498 176.519 -0.208 0.000 1.212 437 W CA 0.496 57.732 57.345 -0.181 0.000 1.271 437 W CB -0.406 28.961 29.460 -0.156 0.000 1.126 437 W HN -0.035 nan 8.180 nan 0.000 0.535 438 L N -0.059 121.094 121.223 -0.117 0.000 1.976 438 L HA -0.241 4.101 4.340 0.005 0.000 0.209 438 L C 2.241 178.847 176.870 -0.441 0.000 1.071 438 L CA 2.000 56.679 54.840 -0.268 0.000 0.746 438 L CB -1.102 40.710 42.059 -0.412 0.000 0.890 438 L HN -0.122 nan 8.230 nan 0.000 0.432 439 V N 0.082 119.661 119.914 -0.559 0.000 2.324 439 V HA -0.347 3.776 4.120 0.005 0.000 0.250 439 V C 2.688 178.565 176.094 -0.363 0.000 1.060 439 V CA 2.192 64.210 62.300 -0.469 0.000 1.042 439 V CB -0.778 30.754 31.823 -0.485 0.000 0.650 439 V HN 0.481 nan 8.190 nan 0.000 0.450 440 R N -0.534 119.735 120.500 -0.385 0.000 2.120 440 R HA -0.187 4.156 4.340 0.005 0.000 0.234 440 R C 2.467 178.486 176.300 -0.467 0.000 1.123 440 R CA 1.502 57.381 56.100 -0.368 0.000 0.975 440 R CB -0.120 29.968 30.300 -0.353 0.000 0.866 440 R HN 0.342 nan 8.270 nan 0.000 0.446 441 R N -0.007 120.098 120.500 -0.658 0.000 2.073 441 R HA -0.032 4.311 4.340 0.005 0.000 0.229 441 R C 1.942 177.991 176.300 -0.418 0.000 1.120 441 R CA 1.350 57.013 56.100 -0.728 0.000 0.967 441 R CB -0.642 28.975 30.300 -1.138 0.000 0.862 441 R HN 0.028 nan 8.270 nan 0.000 0.436 442 V N 1.777 121.526 119.914 -0.276 0.000 2.287 442 V HA -0.287 3.836 4.120 0.005 0.000 0.248 442 V C 1.903 177.893 176.094 -0.174 0.000 1.053 442 V CA 2.150 64.357 62.300 -0.156 0.000 1.027 442 V CB -0.679 31.051 31.823 -0.155 0.000 0.646 442 V HN 0.402 nan 8.190 nan 0.000 0.447 443 N N 0.267 118.845 118.700 -0.202 0.000 2.061 443 N HA -0.235 4.507 4.740 0.005 0.000 0.193 443 N C 1.892 177.302 175.510 -0.167 0.000 1.030 443 N CA 1.711 54.660 53.050 -0.169 0.000 0.856 443 N CB -0.366 38.017 38.487 -0.172 0.000 1.023 443 N HN 0.482 nan 8.380 nan 0.000 0.424 444 K N 0.134 120.406 120.400 -0.214 0.000 2.160 444 K HA -0.092 4.231 4.320 0.005 0.000 0.206 444 K C 1.788 178.286 176.600 -0.170 0.000 1.047 444 K CA 1.455 57.619 56.287 -0.205 0.000 0.930 444 K CB 0.025 32.362 32.500 -0.272 0.000 0.720 444 K HN 0.164 nan 8.250 nan 0.000 0.450 445 T N 0.995 115.450 114.554 -0.165 0.000 2.770 445 T HA -0.019 4.334 4.350 0.005 0.000 0.258 445 T C 1.467 176.110 174.700 -0.096 0.000 1.039 445 T CA 0.929 62.956 62.100 -0.121 0.000 1.143 445 T CB -0.032 68.782 68.868 -0.090 0.000 0.866 445 T HN 0.146 nan 8.240 nan 0.000 0.428 446 L N 1.179 122.345 121.223 -0.095 0.000 2.633 446 L HA 0.072 4.415 4.340 0.005 0.000 0.235 446 L C 0.671 177.495 176.870 -0.077 0.000 1.163 446 L CA 0.411 55.203 54.840 -0.081 0.000 0.859 446 L CB -0.493 41.517 42.059 -0.081 0.000 0.973 446 L HN 0.171 nan 8.230 nan 0.000 0.451 447 D N 1.017 121.364 120.400 -0.090 0.000 2.564 447 D HA 0.037 4.679 4.640 0.005 0.000 0.226 447 D C 0.406 176.654 176.300 -0.086 0.000 1.149 447 D CA -0.271 53.675 54.000 -0.091 0.000 0.994 447 D CB 0.426 41.163 40.800 -0.104 0.000 1.029 447 D HN 0.036 nan 8.370 nan 0.000 0.517 448 T N 1.032 115.540 114.554 -0.077 0.000 2.738 448 T HA 0.131 4.484 4.350 0.005 0.000 0.294 448 T C 0.535 175.191 174.700 -0.074 0.000 0.914 448 T CA -1.022 61.037 62.100 -0.069 0.000 1.052 448 T CB 0.750 69.582 68.868 -0.060 0.000 0.897 448 T HN 0.028 nan 8.240 nan 0.000 0.522 449 K N 3.116 123.473 120.400 -0.072 0.000 2.036 449 K HA 0.204 4.527 4.320 0.005 0.000 0.246 449 K C 0.374 176.935 176.600 -0.065 0.000 1.148 449 K CA 0.134 56.377 56.287 -0.072 0.000 1.200 449 K CB -0.792 31.670 32.500 -0.064 0.000 0.964 449 K HN 0.868 nan 8.250 nan 0.000 0.364 450 A N 3.418 126.194 122.820 -0.074 0.000 3.448 450 A HA 0.060 4.382 4.320 0.005 0.000 0.232 450 A C 0.068 177.606 177.584 -0.076 0.000 1.018 450 A CA -0.626 51.374 52.037 -0.061 0.000 0.996 450 A CB 0.289 19.261 19.000 -0.048 0.000 1.283 450 A HN 0.291 nan 8.150 nan 0.000 0.586 451 K N 2.811 123.157 120.400 -0.090 0.000 2.149 451 K HA -0.125 4.198 4.320 0.005 0.000 0.244 451 K C 0.724 177.266 176.600 -0.097 0.000 1.369 451 K CA 0.428 56.650 56.287 -0.108 0.000 1.368 451 K CB -0.275 32.172 32.500 -0.087 0.000 0.757 451 K HN 0.808 nan 8.250 nan 0.000 0.494 452 R N 1.612 122.048 120.500 -0.107 0.000 3.026 452 R HA -0.105 4.238 4.340 0.005 0.000 0.284 452 R C 1.002 177.244 176.300 -0.096 0.000 1.013 452 R CA -0.012 56.056 56.100 -0.053 0.000 1.188 452 R CB 0.015 30.327 30.300 0.020 0.000 1.151 452 R HN 0.454 nan 8.270 nan 0.000 0.514 453 N N -1.141 117.478 118.700 -0.136 0.000 2.413 453 N HA 0.047 4.790 4.740 0.005 0.000 0.193 453 N C -0.203 174.855 175.510 -0.753 0.000 1.043 453 N CA 0.897 53.632 53.050 -0.526 0.000 0.910 453 N CB 0.340 38.463 38.487 -0.605 0.000 1.111 453 N HN 0.392 nan 8.380 nan 0.000 0.452 454 Y N -1.508 118.921 120.300 0.215 0.000 2.705 454 Y HA 0.400 4.952 4.550 0.004 0.000 0.332 454 Y C -0.653 175.487 175.900 0.401 0.000 1.157 454 Y CA -1.210 57.020 58.100 0.215 0.000 1.091 454 Y CB 0.730 39.224 38.460 0.056 0.000 1.301 454 Y HN 0.052 nan 8.280 nan 0.000 0.488 455 Y N -0.414 120.122 120.300 0.393 0.000 2.728 455 Y HA 0.810 5.362 4.550 0.004 0.000 0.330 455 Y C -1.900 174.123 175.900 0.205 0.000 1.234 455 Y CA -2.234 56.049 58.100 0.305 0.000 1.070 455 Y CB 1.876 40.386 38.460 0.084 0.000 1.300 455 Y HN 0.650 nan 8.280 nan 0.000 0.467 456 I N 2.142 122.976 120.570 0.440 0.000 2.560 456 I HA 0.701 4.874 4.170 0.005 0.000 0.283 456 I C -0.874 175.448 176.117 0.343 0.000 1.115 456 I CA -0.495 60.953 61.300 0.247 0.000 1.066 456 I CB 1.075 39.181 38.000 0.177 0.000 1.221 456 I HN 1.057 nan 8.210 nan 0.000 0.450 457 G N 6.148 115.197 108.800 0.415 0.000 2.400 457 G HA2 0.560 4.523 3.960 0.005 0.000 0.301 457 G HA3 0.560 4.523 3.960 0.005 0.000 0.301 457 G C -0.982 174.015 174.900 0.161 0.000 1.154 457 G CA -0.417 44.769 45.100 0.143 0.000 0.852 457 G HN 0.407 nan 8.290 nan 0.000 0.511 458 V N 2.984 122.910 119.914 0.020 0.000 2.378 458 V HA 0.307 4.430 4.120 0.005 0.000 0.288 458 V C -0.150 176.079 176.094 0.226 0.000 1.016 458 V CA -0.722 61.649 62.300 0.118 0.000 0.840 458 V CB 1.144 33.003 31.823 0.060 0.000 0.994 458 V HN 0.655 nan 8.190 nan 0.000 0.431 459 L N 4.128 125.534 121.223 0.306 0.000 2.379 459 L HA 0.672 5.015 4.340 0.005 0.000 0.269 459 L C -0.274 176.699 176.870 0.172 0.000 1.084 459 L CA 0.468 55.498 54.840 0.317 0.000 0.802 459 L CB 1.468 43.643 42.059 0.193 0.000 1.175 459 L HN 0.798 nan 8.230 nan 0.000 0.448 460 D N 3.603 124.093 120.400 0.151 0.000 2.752 460 D HA 0.355 4.998 4.640 0.005 0.000 0.242 460 D C -1.218 175.113 176.300 0.052 0.000 1.295 460 D CA -0.164 53.884 54.000 0.079 0.000 0.846 460 D CB 0.179 41.010 40.800 0.052 0.000 1.454 460 D HN 0.393 nan 8.370 nan 0.000 0.535 461 I N -0.272 120.322 120.570 0.040 0.000 3.067 461 I HA 0.831 5.004 4.170 0.005 0.000 0.312 461 I C 0.687 176.812 176.117 0.013 0.000 1.073 461 I CA -1.768 59.546 61.300 0.023 0.000 1.016 461 I CB 1.654 39.652 38.000 -0.003 0.000 1.227 461 I HN 0.192 nan 8.210 nan 0.000 0.456 462 A N 1.509 124.333 122.820 0.007 0.000 2.466 462 A HA 0.577 4.900 4.320 0.005 0.000 0.238 462 A C 0.466 178.060 177.584 0.018 0.000 1.074 462 A CA 0.369 52.413 52.037 0.011 0.000 0.774 462 A CB -0.191 18.814 19.000 0.008 0.000 1.015 462 A HN 0.986 nan 8.150 nan 0.000 0.498 463 G N -0.882 107.934 108.800 0.027 0.000 2.531 463 G HA2 0.477 4.440 3.960 0.005 0.000 0.313 463 G HA3 0.477 4.440 3.960 0.005 0.000 0.313 463 G C -0.448 174.487 174.900 0.058 0.000 1.238 463 G CA -0.773 44.359 45.100 0.053 0.000 0.994 463 G HN 0.686 nan 8.290 nan 0.000 0.493 464 F N 0.457 120.382 119.950 -0.040 0.000 2.533 464 F HA 0.325 4.854 4.527 0.004 0.000 0.378 464 F C 0.606 176.303 175.800 -0.171 0.000 1.070 464 F CA 0.298 58.242 58.000 -0.092 0.000 1.172 464 F CB 0.384 39.325 39.000 -0.098 0.000 1.085 464 F HN 0.318 nan 8.300 nan 0.000 0.552 465 E N 6.308 126.354 120.200 -0.257 0.000 2.292 465 E HA 0.475 4.827 4.350 0.005 0.000 0.272 465 E C -1.156 175.145 176.600 -0.499 0.000 0.881 465 E CA -0.845 55.363 56.400 -0.320 0.000 0.754 465 E CB 1.996 31.494 29.700 -0.337 0.000 1.201 465 E HN 0.531 nan 8.360 nan 0.000 0.425 466 I N 3.480 123.725 120.570 -0.541 0.000 2.441 466 I HA 0.452 4.625 4.170 0.005 0.000 0.295 466 I C -0.646 175.127 176.117 -0.574 0.000 0.994 466 I CA -0.564 60.499 61.300 -0.395 0.000 1.144 466 I CB 0.830 38.724 38.000 -0.177 0.000 1.314 466 I HN 0.409 nan 8.210 nan 0.000 0.445 467 F N 1.845 121.770 119.950 -0.042 0.000 2.790 467 F HA 0.360 4.890 4.527 0.004 0.000 0.386 467 F C 1.359 177.172 175.800 0.022 0.000 1.206 467 F CA -0.665 57.343 58.000 0.014 0.000 1.109 467 F CB 0.515 39.529 39.000 0.024 0.000 1.469 467 F HN 0.391 nan 8.300 nan 0.000 0.513 468 D N -0.354 120.233 120.400 0.312 0.000 2.162 468 D HA -0.069 4.573 4.640 0.005 0.000 0.203 468 D C -0.385 176.068 176.300 0.255 0.000 0.967 468 D CA 1.683 55.809 54.000 0.210 0.000 0.840 468 D CB 0.338 41.250 40.800 0.185 0.000 0.972 468 D HN 0.102 nan 8.370 nan 0.000 0.482 469 F N 1.868 121.890 119.950 0.120 0.000 2.553 469 F HA 0.320 4.850 4.527 0.004 0.000 0.335 469 F C -1.010 174.855 175.800 0.108 0.000 1.148 469 F CA -0.937 57.118 58.000 0.091 0.000 0.963 469 F CB 0.851 39.894 39.000 0.071 0.000 1.217 469 F HN -0.328 nan 8.300 nan 0.000 0.441 470 N N 4.568 123.034 118.700 -0.390 0.000 2.372 470 N HA 0.429 5.172 4.740 0.005 0.000 0.291 470 N C -1.071 174.292 175.510 -0.244 0.000 1.024 470 N CA -0.566 52.344 53.050 -0.232 0.000 0.873 470 N CB 2.162 40.503 38.487 -0.244 0.000 1.206 470 N HN 0.519 nan 8.380 nan 0.000 0.486 471 S N 0.712 116.387 115.700 -0.041 0.000 2.837 471 S HA 0.311 4.784 4.470 0.005 0.000 0.314 471 S C 0.665 175.334 174.600 0.115 0.000 1.098 471 S CA -0.581 57.736 58.200 0.195 0.000 0.903 471 S CB 0.508 63.794 63.200 0.145 0.000 1.310 471 S HN 0.509 nan 8.310 nan 0.000 0.581 472 F N 2.030 121.662 119.950 -0.529 0.000 2.184 472 F HA -0.114 4.416 4.527 0.005 0.000 0.301 472 F C 1.749 177.209 175.800 -0.567 0.000 1.076 472 F CA 2.559 59.786 58.000 -1.289 0.000 1.295 472 F CB -0.531 37.515 39.000 -1.589 0.000 1.026 472 F HN 0.686 nan 8.300 nan 0.000 0.494 473 E N -0.197 119.742 120.200 -0.434 0.000 2.047 473 E HA -0.222 4.131 4.350 0.005 0.000 0.191 473 E C 2.086 178.509 176.600 -0.295 0.000 0.987 473 E CA 1.481 57.633 56.400 -0.413 0.000 0.799 473 E CB -0.318 29.260 29.700 -0.204 0.000 0.752 473 E HN 0.390 nan 8.360 nan 0.000 0.449 474 Q N 0.371 120.093 119.800 -0.129 0.000 2.167 474 Q HA -0.048 4.294 4.340 0.005 0.000 0.202 474 Q C 2.066 178.070 176.000 0.008 0.000 0.970 474 Q CA 0.746 56.549 55.803 0.001 0.000 0.855 474 Q CB -0.175 28.655 28.738 0.152 0.000 0.911 474 Q HN 0.274 nan 8.270 nan 0.000 0.438 475 L N -0.527 120.659 121.223 -0.062 0.000 1.994 475 L HA -0.250 4.093 4.340 0.005 0.000 0.208 475 L C 1.783 178.570 176.870 -0.139 0.000 1.071 475 L CA 1.478 56.200 54.840 -0.197 0.000 0.745 475 L CB -0.378 41.407 42.059 -0.456 0.000 0.892 475 L HN 0.364 nan 8.230 nan 0.000 0.431 476 C N 0.018 119.124 119.300 -0.323 0.000 2.401 476 C HA -0.207 4.256 4.460 0.005 0.000 0.276 476 C C 2.679 177.619 174.990 -0.084 0.000 1.233 476 C CA 0.294 59.177 59.018 -0.224 0.000 1.753 476 C CB -0.864 26.552 27.740 -0.540 0.000 2.029 476 C HN 0.506 nan 8.230 nan 0.000 0.478 477 I N 1.675 122.152 120.570 -0.155 0.000 2.090 477 I HA -0.163 4.010 4.170 0.005 0.000 0.236 477 I C 2.146 178.186 176.117 -0.129 0.000 1.064 477 I CA 1.622 62.849 61.300 -0.122 0.000 1.324 477 I CB -1.859 36.066 38.000 -0.126 0.000 1.044 477 I HN 0.473 nan 8.210 nan 0.000 0.399 478 N N -0.297 118.237 118.700 -0.276 0.000 2.149 478 N HA -0.279 4.464 4.740 0.005 0.000 0.188 478 N C 2.021 177.493 175.510 -0.064 0.000 1.019 478 N CA 1.175 53.914 53.050 -0.519 0.000 0.857 478 N CB -0.342 37.521 38.487 -1.040 0.000 0.997 478 N HN 0.349 nan 8.380 nan 0.000 0.426 479 Y N 2.045 122.327 120.300 -0.031 0.000 2.224 479 Y HA -0.150 4.403 4.550 0.005 0.000 0.289 479 Y C 2.266 178.240 175.900 0.124 0.000 1.146 479 Y CA 1.275 59.450 58.100 0.125 0.000 1.182 479 Y CB -0.642 37.885 38.460 0.112 0.000 0.983 479 Y HN -0.068 nan 8.280 nan 0.000 0.524 480 T N 0.950 115.421 114.554 -0.138 0.000 2.701 480 T HA -0.162 4.191 4.350 0.005 0.000 0.263 480 T C 1.681 176.309 174.700 -0.119 0.000 1.040 480 T CA 1.470 63.438 62.100 -0.220 0.000 1.147 480 T CB -0.356 68.503 68.868 -0.016 0.000 0.865 480 T HN 0.413 nan 8.240 nan 0.000 0.426 481 N N 0.933 119.642 118.700 0.015 0.000 2.272 481 N HA -0.131 4.612 4.740 0.005 0.000 0.185 481 N C 1.929 177.523 175.510 0.139 0.000 1.014 481 N CA 1.006 54.127 53.050 0.118 0.000 0.870 481 N CB -0.224 38.422 38.487 0.265 0.000 0.975 481 N HN 0.453 nan 8.380 nan 0.000 0.433 482 E N 1.458 121.768 120.200 0.183 0.000 2.031 482 E HA -0.095 4.257 4.350 0.005 0.000 0.193 482 E C 1.910 178.540 176.600 0.050 0.000 0.994 482 E CA 1.173 57.702 56.400 0.215 0.000 0.800 482 E CB 0.086 29.997 29.700 0.352 0.000 0.752 482 E HN 0.107 nan 8.360 nan 0.000 0.447 483 R N 0.046 120.518 120.500 -0.045 0.000 2.081 483 R HA -0.090 4.252 4.340 0.005 0.000 0.235 483 R C 2.572 178.885 176.300 0.023 0.000 1.131 483 R CA 1.132 57.206 56.100 -0.042 0.000 0.960 483 R CB -0.860 29.326 30.300 -0.190 0.000 0.856 483 R HN 0.338 nan 8.270 nan 0.000 0.436 484 L N 0.589 121.808 121.223 -0.007 0.000 2.046 484 L HA -0.201 4.142 4.340 0.005 0.000 0.208 484 L C 2.656 179.626 176.870 0.166 0.000 1.077 484 L CA 1.257 56.143 54.840 0.077 0.000 0.747 484 L CB -0.414 41.675 42.059 0.050 0.000 0.896 484 L HN 0.127 nan 8.230 nan 0.000 0.432 485 Q N 0.281 120.081 119.800 0.000 0.000 2.119 485 Q HA -0.258 4.085 4.340 0.005 0.000 0.201 485 Q C 2.121 178.141 176.000 0.033 0.000 0.972 485 Q CA 1.633 57.360 55.803 -0.126 0.000 0.847 485 Q CB -0.220 28.050 28.738 -0.781 0.000 0.903 485 Q HN 0.408 nan 8.270 nan 0.000 0.433 486 Q N -1.226 118.612 119.800 0.063 0.000 2.170 486 Q HA -0.177 4.165 4.340 0.005 0.000 0.203 486 Q C 1.673 177.854 176.000 0.302 0.000 0.976 486 Q CA 1.348 57.251 55.803 0.167 0.000 0.858 486 Q CB -0.254 28.587 28.738 0.172 0.000 0.907 486 Q HN 0.505 nan 8.270 nan 0.000 0.433 487 F N 0.307 120.335 119.950 0.131 0.000 2.171 487 F HA -0.177 4.353 4.527 0.004 0.000 0.300 487 F C 1.627 177.558 175.800 0.217 0.000 1.090 487 F CA 1.167 59.194 58.000 0.045 0.000 1.293 487 F CB -0.513 38.372 39.000 -0.191 0.000 1.013 487 F HN 0.179 nan 8.300 nan 0.000 0.486 488 F N 1.162 121.088 119.950 -0.039 0.000 2.098 488 F HA -0.131 4.398 4.527 0.004 0.000 0.294 488 F C 2.232 177.986 175.800 -0.075 0.000 1.107 488 F CA 2.202 60.069 58.000 -0.221 0.000 1.234 488 F CB -0.903 37.873 39.000 -0.374 0.000 1.002 488 F HN -0.052 nan 8.300 nan 0.000 0.472 489 N N -1.096 117.692 118.700 0.148 0.000 2.094 489 N HA -0.324 4.419 4.740 0.005 0.000 0.191 489 N C 1.741 177.416 175.510 0.275 0.000 1.023 489 N CA 1.433 54.605 53.050 0.204 0.000 0.857 489 N CB -0.457 38.207 38.487 0.294 0.000 1.013 489 N HN 0.395 nan 8.380 nan 0.000 0.426 490 H N 0.160 119.303 119.070 0.121 0.000 2.357 490 H HA -0.124 4.434 4.556 0.004 0.000 0.301 490 H C 2.188 177.568 175.328 0.087 0.000 1.082 490 H CA 1.881 58.002 56.048 0.122 0.000 1.342 490 H CB -0.180 29.706 29.762 0.207 0.000 1.389 490 H HN 0.271 nan 8.280 nan 0.000 0.511 491 H N -0.602 118.370 119.070 -0.163 0.000 2.293 491 H HA -0.123 4.436 4.556 0.005 0.000 0.300 491 H C 2.238 177.375 175.328 -0.318 0.000 1.082 491 H CA 2.039 57.908 56.048 -0.299 0.000 1.308 491 H CB -0.272 29.225 29.762 -0.441 0.000 1.375 491 H HN 0.259 nan 8.280 nan 0.000 0.495 492 M N -0.435 118.866 119.600 -0.498 0.000 2.149 492 M HA -0.158 4.325 4.480 0.005 0.000 0.261 492 M C 2.139 178.420 176.300 -0.031 0.000 1.064 492 M CA 1.334 56.392 55.300 -0.404 0.000 1.102 492 M CB -1.073 31.268 32.600 -0.431 0.000 1.369 492 M HN 0.429 nan 8.290 nan 0.000 0.408 493 F N 0.676 120.591 119.950 -0.059 0.000 2.051 493 F HA -0.232 4.297 4.527 0.004 0.000 0.296 493 F C 2.128 177.630 175.800 -0.498 0.000 1.122 493 F CA 1.765 59.527 58.000 -0.397 0.000 1.201 493 F CB -0.405 38.175 39.000 -0.701 0.000 0.978 493 F HN 0.028 nan 8.300 nan 0.000 0.472 494 I N 0.288 120.544 120.570 -0.524 0.000 2.208 494 I HA -0.351 3.822 4.170 0.005 0.000 0.245 494 I C 2.434 178.236 176.117 -0.525 0.000 1.097 494 I CA 1.417 62.374 61.300 -0.572 0.000 1.363 494 I CB -0.563 37.240 38.000 -0.329 0.000 1.051 494 I HN 0.273 nan 8.210 nan 0.000 0.413 495 L N 0.121 121.059 121.223 -0.475 0.000 1.989 495 L HA -0.261 4.082 4.340 0.005 0.000 0.211 495 L C 2.600 179.266 176.870 -0.341 0.000 1.071 495 L CA 1.457 56.058 54.840 -0.399 0.000 0.749 495 L CB -0.533 41.258 42.059 -0.447 0.000 0.890 495 L HN 0.196 nan 8.230 nan 0.000 0.431 496 E N -0.132 119.880 120.200 -0.313 0.000 2.077 496 E HA -0.230 4.123 4.350 0.005 0.000 0.193 496 E C 2.221 178.638 176.600 -0.306 0.000 0.989 496 E CA 1.314 57.570 56.400 -0.241 0.000 0.800 496 E CB -0.036 29.780 29.700 0.192 0.000 0.746 496 E HN 0.372 nan 8.360 nan 0.000 0.452 497 Q N -0.050 119.407 119.800 -0.571 0.000 2.002 497 Q HA -0.192 4.151 4.340 0.005 0.000 0.204 497 Q C 1.983 177.839 176.000 -0.240 0.000 0.988 497 Q CA 1.509 56.987 55.803 -0.541 0.000 0.843 497 Q CB -0.198 27.961 28.738 -0.966 0.000 0.908 497 Q HN 0.243 nan 8.270 nan 0.000 0.420 498 E N 0.556 120.581 120.200 -0.292 0.000 2.267 498 E HA -0.214 4.139 4.350 0.005 0.000 0.197 498 E C 1.670 178.195 176.600 -0.125 0.000 0.998 498 E CA 1.094 57.384 56.400 -0.184 0.000 0.830 498 E CB -0.050 29.535 29.700 -0.192 0.000 0.751 498 E HN 0.353 nan 8.360 nan 0.000 0.491 499 E N -0.144 119.954 120.200 -0.169 0.000 2.033 499 E HA -0.125 4.227 4.350 0.005 0.000 0.189 499 E C 1.748 178.324 176.600 -0.040 0.000 0.979 499 E CA 0.797 57.122 56.400 -0.125 0.000 0.802 499 E CB -0.337 29.236 29.700 -0.211 0.000 0.763 499 E HN 0.175 nan 8.360 nan 0.000 0.449 500 Y N 1.402 121.728 120.300 0.043 0.000 2.128 500 Y HA -0.151 4.402 4.550 0.005 0.000 0.284 500 Y C 2.340 178.225 175.900 -0.025 0.000 1.154 500 Y CA 1.647 59.724 58.100 -0.039 0.000 1.149 500 Y CB -0.700 37.835 38.460 0.125 0.000 0.976 500 Y HN 0.092 nan 8.280 nan 0.000 0.505 501 K N 0.978 121.468 120.400 0.150 0.000 2.097 501 K HA -0.231 4.092 4.320 0.005 0.000 0.206 501 K C 2.113 178.735 176.600 0.037 0.000 1.049 501 K CA 1.554 57.881 56.287 0.067 0.000 0.933 501 K CB -0.208 32.300 32.500 0.013 0.000 0.717 501 K HN 0.258 nan 8.250 nan 0.000 0.442 502 K N 0.471 120.887 120.400 0.028 0.000 2.442 502 K HA -0.077 4.246 4.320 0.005 0.000 0.198 502 K C 0.311 176.942 176.600 0.052 0.000 1.042 502 K CA 0.981 57.283 56.287 0.024 0.000 0.958 502 K CB 0.318 32.822 32.500 0.007 0.000 0.766 502 K HN 0.114 nan 8.250 nan 0.000 0.474 503 E N -0.379 119.867 120.200 0.075 0.000 2.685 503 E HA 0.083 4.436 4.350 0.005 0.000 0.208 503 E C 0.426 177.057 176.600 0.052 0.000 0.996 503 E CA 0.240 56.700 56.400 0.099 0.000 1.054 503 E CB 0.989 30.812 29.700 0.206 0.000 1.075 503 E HN 0.483 nan 8.360 nan 0.000 0.460 504 G N 2.037 110.858 108.800 0.035 0.000 2.225 504 G HA2 -0.291 3.671 3.960 0.005 0.000 0.272 504 G HA3 -0.291 3.671 3.960 0.005 0.000 0.272 504 G C 0.688 175.580 174.900 -0.015 0.000 0.996 504 G CA 0.619 45.727 45.100 0.014 0.000 0.710 504 G HN 0.475 nan 8.290 nan 0.000 0.522 505 I N 0.607 121.153 120.570 -0.040 0.000 3.637 505 I HA 0.598 4.771 4.170 0.005 0.000 0.342 505 I C 1.254 177.333 176.117 -0.063 0.000 1.545 505 I CA 0.191 61.416 61.300 -0.125 0.000 1.126 505 I CB -0.677 37.139 38.000 -0.307 0.000 1.375 505 I HN 0.324 nan 8.210 nan 0.000 0.467 506 A N 1.656 124.505 122.820 0.050 0.000 2.504 506 A HA 0.193 4.515 4.320 0.005 0.000 0.242 506 A C -0.681 177.026 177.584 0.204 0.000 1.100 506 A CA 0.451 52.583 52.037 0.158 0.000 0.786 506 A CB 0.118 19.186 19.000 0.112 0.000 1.050 506 A HN 0.733 nan 8.150 nan 0.000 0.512 507 W N -2.124 119.163 121.300 -0.022 0.000 3.064 507 W HA 0.479 5.142 4.660 0.004 0.000 0.328 507 W C 0.541 177.059 176.519 -0.003 0.000 1.210 507 W CA 0.801 58.079 57.345 -0.112 0.000 1.178 507 W CB -0.150 29.106 29.460 -0.340 0.000 1.416 507 W HN 1.266 nan 8.180 nan 0.000 0.568 508 E N 1.879 121.660 120.200 -0.699 0.000 2.336 508 E HA -0.103 4.250 4.350 0.005 0.000 0.247 508 E C 0.699 176.906 176.600 -0.654 0.000 0.953 508 E CA 2.564 58.535 56.400 -0.714 0.000 0.997 508 E CB -1.190 28.088 29.700 -0.703 0.000 0.972 508 E HN 1.190 nan 8.360 nan 0.000 0.542 509 F N -3.052 116.125 119.950 -1.288 0.000 2.183 509 F HA -0.113 4.417 4.527 0.005 0.000 0.318 509 F C 1.109 176.687 175.800 -0.370 0.000 0.797 509 F CA 0.650 58.156 58.000 -0.823 0.000 0.912 509 F CB -0.708 37.956 39.000 -0.560 0.000 4.135 509 F HN 0.504 nan 8.300 nan 0.000 0.137 510 I N -1.980 118.644 120.570 0.089 0.000 2.101 510 I HA 0.221 4.393 4.170 0.005 0.000 0.308 510 I C -0.957 174.989 176.117 -0.286 0.000 0.702 510 I CA 0.111 61.374 61.300 -0.061 0.000 2.767 510 I CB 0.993 38.961 38.000 -0.053 0.000 1.710 510 I HN 0.601 nan 8.210 nan 0.000 0.486 511 D N -0.244 119.889 120.400 -0.445 0.000 2.720 511 D HA 0.123 4.765 4.640 0.005 0.000 0.230 511 D C -0.842 175.197 176.300 -0.435 0.000 1.057 511 D CA -0.343 52.991 54.000 -1.110 0.000 0.793 511 D CB 0.880 41.020 40.800 -1.100 0.000 2.805 511 D HN 0.053 nan 8.370 nan 0.000 0.464 512 F N 1.228 121.087 119.950 -0.152 0.000 2.407 512 F HA 0.191 4.721 4.527 0.004 0.000 0.299 512 F C 2.257 178.069 175.800 0.019 0.000 1.097 512 F CA 0.772 58.786 58.000 0.023 0.000 1.422 512 F CB -0.131 38.931 39.000 0.103 0.000 1.067 512 F HN 0.393 nan 8.300 nan 0.000 0.539 513 G N 0.218 109.093 108.800 0.125 0.000 3.008 513 G HA2 0.396 4.359 3.960 0.005 0.000 0.272 513 G HA3 0.396 4.359 3.960 0.005 0.000 0.272 513 G C 0.381 175.321 174.900 0.065 0.000 0.764 513 G CA 0.615 45.788 45.100 0.122 0.000 2.029 513 G HN 0.227 nan 8.290 nan 0.000 0.587 514 M N 1.226 120.889 119.600 0.105 0.000 2.799 514 M HA 0.283 4.766 4.480 0.005 0.000 0.147 514 M C 1.992 178.356 176.300 0.106 0.000 1.552 514 M CA 1.194 56.545 55.300 0.085 0.000 1.501 514 M CB -0.953 31.710 32.600 0.105 0.000 0.757 514 M HN 0.413 nan 8.290 nan 0.000 0.515 515 D N 0.842 121.322 120.400 0.134 0.000 2.389 515 D HA -0.100 4.542 4.640 0.005 0.000 0.221 515 D C 1.423 177.830 176.300 0.179 0.000 0.974 515 D CA 1.006 55.099 54.000 0.155 0.000 0.923 515 D CB -0.448 40.463 40.800 0.185 0.000 0.892 515 D HN 0.342 nan 8.370 nan 0.000 0.518 516 L N -0.019 121.303 121.223 0.165 0.000 2.156 516 L HA -0.032 4.311 4.340 0.005 0.000 0.208 516 L C 2.318 179.286 176.870 0.164 0.000 1.095 516 L CA 1.229 56.173 54.840 0.173 0.000 0.770 516 L CB -0.971 41.172 42.059 0.139 0.000 0.914 516 L HN 0.196 nan 8.230 nan 0.000 0.439 517 Q N -1.149 118.726 119.800 0.126 0.000 2.123 517 Q HA -0.134 4.209 4.340 0.005 0.000 0.199 517 Q C 2.233 178.300 176.000 0.113 0.000 0.966 517 Q CA 0.990 56.858 55.803 0.108 0.000 0.845 517 Q CB -0.024 28.754 28.738 0.067 0.000 0.907 517 Q HN 0.437 nan 8.270 nan 0.000 0.439 518 M N -0.584 119.083 119.600 0.113 0.000 2.080 518 M HA -0.224 4.258 4.480 0.005 0.000 0.260 518 M C 2.510 178.883 176.300 0.122 0.000 1.068 518 M CA 1.276 56.638 55.300 0.103 0.000 1.109 518 M CB -0.545 32.118 32.600 0.105 0.000 1.342 518 M HN 0.357 nan 8.290 nan 0.000 0.405 519 C N 0.612 120.012 119.300 0.167 0.000 2.429 519 C HA -0.139 4.323 4.460 0.005 0.000 0.277 519 C C 2.588 177.709 174.990 0.217 0.000 1.262 519 C CA 0.645 59.778 59.018 0.191 0.000 1.733 519 C CB -1.020 26.866 27.740 0.243 0.000 2.010 519 C HN 0.523 nan 8.230 nan 0.000 0.483 520 I N 0.931 121.644 120.570 0.240 0.000 2.226 520 I HA -0.157 4.016 4.170 0.005 0.000 0.245 520 I C 2.152 178.396 176.117 0.213 0.000 1.100 520 I CA 1.878 63.353 61.300 0.291 0.000 1.374 520 I CB -0.575 37.571 38.000 0.243 0.000 1.057 520 I HN 0.336 nan 8.210 nan 0.000 0.413 521 D N 0.711 121.191 120.400 0.133 0.000 2.144 521 D HA -0.139 4.503 4.640 0.005 0.000 0.200 521 D C 2.187 178.504 176.300 0.028 0.000 0.978 521 D CA 0.876 54.923 54.000 0.078 0.000 0.833 521 D CB -0.283 40.551 40.800 0.057 0.000 0.961 521 D HN 0.240 nan 8.370 nan 0.000 0.470 522 L N 0.416 121.645 121.223 0.009 0.000 2.349 522 L HA -0.129 4.214 4.340 0.005 0.000 0.220 522 L C 1.651 178.455 176.870 -0.109 0.000 1.130 522 L CA 0.929 55.703 54.840 -0.110 0.000 0.791 522 L CB 0.014 42.036 42.059 -0.062 0.000 0.918 522 L HN 0.056 nan 8.230 nan 0.000 0.444 523 I N -1.061 119.498 120.570 -0.018 0.000 3.194 523 I HA -0.141 4.032 4.170 0.005 0.000 0.271 523 I C 2.192 178.226 176.117 -0.139 0.000 1.150 523 I CA 0.570 61.817 61.300 -0.088 0.000 1.440 523 I CB 0.011 37.923 38.000 -0.148 0.000 1.276 523 I HN 0.179 nan 8.210 nan 0.000 0.457 524 E N 1.952 122.118 120.200 -0.056 0.000 2.452 524 E HA 0.146 4.499 4.350 0.005 0.000 0.197 524 E C 0.981 177.605 176.600 0.041 0.000 1.022 524 E CA -0.009 56.391 56.400 0.001 0.000 0.890 524 E CB 0.025 29.828 29.700 0.173 0.000 0.918 524 E HN 0.232 nan 8.360 nan 0.000 0.496 525 K N 2.060 122.483 120.400 0.039 0.000 2.154 525 K HA 0.247 4.570 4.320 0.005 0.000 0.264 525 K C -1.961 174.661 176.600 0.037 0.000 1.008 525 K CA -1.414 54.897 56.287 0.040 0.000 0.937 525 K CB -0.574 31.949 32.500 0.038 0.000 1.002 525 K HN -0.228 nan 8.250 nan 0.000 0.469 526 P HA -0.263 nan 4.420 nan 0.000 0.217 526 P C 0.731 178.059 177.300 0.046 0.000 0.937 526 P CA 1.753 64.876 63.100 0.039 0.000 1.028 526 P CB 0.053 31.772 31.700 0.032 0.000 0.735 527 M N -0.984 118.647 119.600 0.053 0.000 2.719 527 M HA 0.260 4.743 4.480 0.005 0.000 0.247 527 M C 0.886 177.281 176.300 0.159 0.000 1.287 527 M CA -0.328 55.011 55.300 0.065 0.000 1.004 527 M CB -1.123 31.492 32.600 0.024 0.000 1.514 527 M HN -0.114 nan 8.290 nan 0.000 0.462 528 G N -0.249 108.617 108.800 0.109 0.000 2.537 528 G HA2 0.517 4.480 3.960 0.005 0.000 0.297 528 G HA3 0.517 4.480 3.960 0.005 0.000 0.297 528 G C 1.194 176.146 174.900 0.087 0.000 1.310 528 G CA -0.699 44.428 45.100 0.045 0.000 1.027 528 G HN 0.285 nan 8.290 nan 0.000 0.505 529 I N -0.359 120.203 120.570 -0.012 0.000 2.043 529 I HA -0.262 3.910 4.170 0.005 0.000 0.231 529 I C 2.826 179.065 176.117 0.203 0.000 1.024 529 I CA 1.366 62.718 61.300 0.087 0.000 1.309 529 I CB -0.503 37.554 38.000 0.095 0.000 1.030 529 I HN 0.332 nan 8.210 nan 0.000 0.389 530 L N 0.240 121.551 121.223 0.147 0.000 2.051 530 L HA -0.298 4.045 4.340 0.005 0.000 0.214 530 L C 2.792 179.734 176.870 0.120 0.000 1.076 530 L CA 1.796 56.722 54.840 0.144 0.000 0.758 530 L CB -0.766 41.311 42.059 0.030 0.000 0.890 530 L HN 0.402 nan 8.230 nan 0.000 0.433 531 S N 0.223 115.977 115.700 0.090 0.000 2.370 531 S HA -0.170 4.303 4.470 0.005 0.000 0.226 531 S C 1.924 176.581 174.600 0.094 0.000 1.033 531 S CA 1.245 59.492 58.200 0.079 0.000 1.011 531 S CB -0.218 63.020 63.200 0.064 0.000 0.852 531 S HN 0.349 nan 8.310 nan 0.000 0.457 532 I N 0.823 121.478 120.570 0.142 0.000 2.394 532 I HA -0.102 4.071 4.170 0.005 0.000 0.251 532 I C 2.370 178.619 176.117 0.221 0.000 1.136 532 I CA 0.762 62.162 61.300 0.167 0.000 1.425 532 I CB -0.286 37.822 38.000 0.180 0.000 1.079 532 I HN 0.333 nan 8.210 nan 0.000 0.425 533 L N 0.691 122.061 121.223 0.245 0.000 2.017 533 L HA -0.243 4.100 4.340 0.005 0.000 0.208 533 L C 2.494 179.299 176.870 -0.108 0.000 1.073 533 L CA 1.765 56.553 54.840 -0.086 0.000 0.745 533 L CB -0.178 41.828 42.059 -0.087 0.000 0.894 533 L HN 0.253 nan 8.230 nan 0.000 0.432 534 E N -0.571 119.622 120.200 -0.012 0.000 2.047 534 E HA -0.279 4.074 4.350 0.005 0.000 0.191 534 E C 1.998 178.615 176.600 0.027 0.000 0.987 534 E CA 1.275 57.678 56.400 0.004 0.000 0.799 534 E CB -0.074 29.649 29.700 0.039 0.000 0.752 534 E HN 0.431 nan 8.360 nan 0.000 0.449 535 E N 1.074 121.296 120.200 0.036 0.000 2.058 535 E HA -0.258 4.094 4.350 0.005 0.000 0.194 535 E C 1.435 178.012 176.600 -0.037 0.000 0.997 535 E CA 1.104 57.533 56.400 0.049 0.000 0.801 535 E CB 0.070 29.781 29.700 0.018 0.000 0.746 535 E HN 0.016 nan 8.360 nan 0.000 0.450 536 E N -0.808 119.313 120.200 -0.130 0.000 2.505 536 E HA -0.030 4.323 4.350 0.005 0.000 0.197 536 E C 0.741 177.275 176.600 -0.110 0.000 1.111 536 E CA 0.120 56.366 56.400 -0.256 0.000 0.887 536 E CB -0.221 29.408 29.700 -0.119 0.000 0.913 536 E HN 0.256 nan 8.360 nan 0.000 0.517 537 C N -0.571 118.737 119.300 0.014 0.000 2.487 537 C HA 0.103 4.566 4.460 0.005 0.000 0.311 537 C C 1.947 177.037 174.990 0.167 0.000 1.367 537 C CA -0.047 58.998 59.018 0.046 0.000 1.865 537 C CB -0.462 27.271 27.740 -0.013 0.000 2.277 537 C HN 0.552 nan 8.230 nan 0.000 0.521 538 M N -0.304 119.448 119.600 0.253 0.000 2.763 538 M HA 0.083 4.566 4.480 0.005 0.000 0.244 538 M C -0.777 175.639 176.300 0.195 0.000 1.065 538 M CA 1.243 56.664 55.300 0.203 0.000 1.070 538 M CB -0.883 31.807 32.600 0.151 0.000 1.494 538 M HN 0.114 nan 8.290 nan 0.000 0.546 539 F N 0.998 120.948 119.950 -0.001 0.000 2.427 539 F HA 0.423 4.953 4.527 0.004 0.000 0.346 539 F C -1.691 174.109 175.800 0.001 0.000 1.120 539 F CA -2.771 55.231 58.000 0.004 0.000 1.033 539 F CB 0.710 39.716 39.000 0.010 0.000 1.126 539 F HN -0.168 nan 8.300 nan 0.000 0.462 540 P HA -0.157 nan 4.420 nan 0.000 0.212 540 P C 0.591 177.943 177.300 0.087 0.000 1.180 540 P CA 1.114 64.261 63.100 0.079 0.000 0.906 540 P CB 0.192 31.915 31.700 0.038 0.000 0.782 541 K N 0.390 120.846 120.400 0.094 0.000 3.233 541 K HA 0.269 4.592 4.320 0.005 0.000 0.283 541 K C -0.625 176.031 176.600 0.093 0.000 1.209 541 K CA -0.310 56.026 56.287 0.080 0.000 1.197 541 K CB -0.917 31.626 32.500 0.071 0.000 1.431 541 K HN -0.000 nan 8.250 nan 0.000 0.326 542 A N 1.823 124.695 122.820 0.088 0.000 2.260 542 A HA 0.207 4.530 4.320 0.005 0.000 0.314 542 A C -0.537 177.073 177.584 0.044 0.000 1.257 542 A CA -0.763 51.312 52.037 0.062 0.000 0.871 542 A CB 0.627 19.655 19.000 0.048 0.000 1.166 542 A HN 0.508 nan 8.150 nan 0.000 0.522 543 D N 0.983 121.411 120.400 0.048 0.000 2.388 543 D HA 0.134 4.777 4.640 0.005 0.000 0.254 543 D C 0.095 176.439 176.300 0.073 0.000 1.111 543 D CA -0.394 53.638 54.000 0.053 0.000 0.993 543 D CB 1.286 42.118 40.800 0.052 0.000 1.118 543 D HN 0.531 nan 8.370 nan 0.000 0.502 544 D N 0.700 121.145 120.400 0.075 0.000 2.084 544 D HA -0.110 4.532 4.640 0.005 0.000 0.196 544 D C 1.297 177.670 176.300 0.120 0.000 0.985 544 D CA 1.088 55.145 54.000 0.095 0.000 0.826 544 D CB 0.204 41.047 40.800 0.072 0.000 0.978 544 D HN 0.270 nan 8.370 nan 0.000 0.456 545 K N 0.520 120.980 120.400 0.100 0.000 2.555 545 K HA -0.012 4.311 4.320 0.005 0.000 0.193 545 K C 1.905 178.549 176.600 0.073 0.000 1.032 545 K CA 0.072 56.417 56.287 0.096 0.000 1.004 545 K CB 0.151 32.697 32.500 0.077 0.000 0.804 545 K HN -0.102 nan 8.250 nan 0.000 0.496 546 S N -0.188 115.561 115.700 0.081 0.000 2.356 546 S HA -0.092 4.380 4.470 0.005 0.000 0.219 546 S C 1.653 176.305 174.600 0.086 0.000 1.036 546 S CA 0.416 58.652 58.200 0.060 0.000 0.965 546 S CB -0.297 62.933 63.200 0.051 0.000 0.864 546 S HN 0.391 nan 8.310 nan 0.000 0.471 547 F N 2.487 122.405 119.950 -0.054 0.000 2.161 547 F HA -0.028 4.501 4.527 0.005 0.000 0.300 547 F C 2.432 178.204 175.800 -0.047 0.000 1.089 547 F CA 2.111 60.066 58.000 -0.075 0.000 1.282 547 F CB -0.893 38.054 39.000 -0.089 0.000 1.010 547 F HN 0.348 nan 8.300 nan 0.000 0.485 548 Q N 0.052 119.808 119.800 -0.073 0.000 1.993 548 Q HA -0.217 4.126 4.340 0.005 0.000 0.202 548 Q C 1.934 177.975 176.000 0.068 0.000 0.984 548 Q CA 2.005 57.782 55.803 -0.042 0.000 0.837 548 Q CB -0.270 28.573 28.738 0.174 0.000 0.902 548 Q HN 0.321 nan 8.270 nan 0.000 0.423 549 D N 0.313 120.741 120.400 0.048 0.000 2.126 549 D HA -0.214 4.429 4.640 0.005 0.000 0.190 549 D C 1.763 178.053 176.300 -0.017 0.000 1.001 549 D CA 1.659 55.671 54.000 0.021 0.000 0.841 549 D CB -0.170 40.626 40.800 -0.007 0.000 0.949 549 D HN 0.098 nan 8.370 nan 0.000 0.446 550 K N 0.405 120.762 120.400 -0.072 0.000 2.057 550 K HA -0.030 4.293 4.320 0.005 0.000 0.206 550 K C 2.169 178.639 176.600 -0.216 0.000 1.050 550 K CA 0.670 56.882 56.287 -0.124 0.000 0.935 550 K CB -0.484 31.954 32.500 -0.103 0.000 0.715 550 K HN 0.112 nan 8.250 nan 0.000 0.439 551 L N -0.328 120.710 121.223 -0.310 0.000 1.970 551 L HA -0.238 4.104 4.340 0.005 0.000 0.212 551 L C 2.140 178.760 176.870 -0.418 0.000 1.071 551 L CA 1.748 56.317 54.840 -0.453 0.000 0.751 551 L CB -0.500 41.144 42.059 -0.691 0.000 0.889 551 L HN 0.265 nan 8.230 nan 0.000 0.432 552 Y N 0.084 120.224 120.300 -0.267 0.000 2.081 552 Y HA -0.384 4.169 4.550 0.005 0.000 0.280 552 Y C 2.836 178.586 175.900 -0.249 0.000 1.163 552 Y CA 1.881 59.877 58.100 -0.173 0.000 1.135 552 Y CB -0.421 38.006 38.460 -0.055 0.000 0.970 552 Y HN 0.233 nan 8.280 nan 0.000 0.498 553 Q N -0.161 119.603 119.800 -0.061 0.000 2.096 553 Q HA -0.255 4.088 4.340 0.005 0.000 0.208 553 Q C 1.917 177.763 176.000 -0.257 0.000 0.993 553 Q CA 1.791 57.516 55.803 -0.129 0.000 0.862 553 Q CB -0.257 28.409 28.738 -0.119 0.000 0.915 553 Q HN 0.570 nan 8.270 nan 0.000 0.416 554 N N -1.000 117.422 118.700 -0.462 0.000 2.250 554 N HA -0.091 4.652 4.740 0.005 0.000 0.181 554 N C 1.249 176.254 175.510 -0.842 0.000 1.017 554 N CA 1.057 53.685 53.050 -0.702 0.000 0.866 554 N CB 0.149 38.036 38.487 -1.000 0.000 0.985 554 N HN 0.444 nan 8.380 nan 0.000 0.429 555 H N -1.152 117.621 119.070 -0.496 0.000 3.255 555 H HA 0.180 4.739 4.556 0.005 0.000 0.256 555 H C 0.204 175.224 175.328 -0.514 0.000 1.049 555 H CA -0.371 55.300 56.048 -0.628 0.000 1.202 555 H CB 0.175 29.270 29.762 -1.112 0.000 1.497 555 H HN 0.080 nan 8.280 nan 0.000 0.503 556 M N 1.640 121.048 119.600 -0.321 0.000 2.307 556 M HA 0.292 4.775 4.480 0.005 0.000 0.346 556 M C 1.136 177.487 176.300 0.085 0.000 1.552 556 M CA 0.534 55.881 55.300 0.079 0.000 1.116 556 M CB -0.412 32.381 32.600 0.321 0.000 1.889 556 M HN 0.548 nan 8.290 nan 0.000 0.460 557 G N 4.133 113.008 108.800 0.126 0.000 2.175 557 G HA2 -0.307 3.656 3.960 0.005 0.000 0.244 557 G HA3 -0.307 3.656 3.960 0.005 0.000 0.244 557 G C 0.672 175.600 174.900 0.048 0.000 0.982 557 G CA 0.532 45.681 45.100 0.082 0.000 0.641 557 G HN 0.708 nan 8.290 nan 0.000 0.527 558 K N -0.252 120.170 120.400 0.036 0.000 2.443 558 K HA 0.232 4.555 4.320 0.005 0.000 0.200 558 K C 0.491 177.120 176.600 0.047 0.000 1.278 558 K CA 0.298 56.598 56.287 0.022 0.000 0.925 558 K CB 0.199 32.691 32.500 -0.014 0.000 1.225 558 K HN 0.182 nan 8.250 nan 0.000 0.514 559 N N 1.333 120.078 118.700 0.075 0.000 2.419 559 N HA 0.094 4.836 4.740 0.005 0.000 0.277 559 N C 0.120 175.718 175.510 0.146 0.000 1.006 559 N CA -0.096 53.018 53.050 0.107 0.000 0.923 559 N CB 1.433 39.988 38.487 0.112 0.000 1.140 559 N HN 0.011 nan 8.380 nan 0.000 0.488 560 R N 3.030 123.591 120.500 0.102 0.000 2.090 560 R HA 0.105 4.448 4.340 0.005 0.000 0.228 560 R C 1.220 177.577 176.300 0.096 0.000 1.110 560 R CA 1.030 57.177 56.100 0.078 0.000 0.973 560 R CB 0.095 30.415 30.300 0.033 0.000 0.869 560 R HN 0.603 nan 8.270 nan 0.000 0.440 561 M N -0.593 119.085 119.600 0.129 0.000 2.686 561 M HA 0.030 4.513 4.480 0.005 0.000 0.246 561 M C 0.056 176.497 176.300 0.234 0.000 1.096 561 M CA 0.341 55.746 55.300 0.174 0.000 1.076 561 M CB -0.588 32.120 32.600 0.180 0.000 1.504 561 M HN -0.103 nan 8.290 nan 0.000 0.524 562 F N 1.345 121.338 119.950 0.071 0.000 2.496 562 F HA 0.438 4.968 4.527 0.005 0.000 0.341 562 F C 0.153 176.006 175.800 0.087 0.000 1.134 562 F CA -0.525 57.527 58.000 0.087 0.000 0.968 562 F CB 0.992 39.996 39.000 0.006 0.000 1.205 562 F HN 0.047 nan 8.300 nan 0.000 0.436 563 T N 1.694 116.189 114.554 -0.099 0.000 2.669 563 T HA 0.510 4.863 4.350 0.005 0.000 0.283 563 T C -1.045 173.613 174.700 -0.070 0.000 1.019 563 T CA -1.043 61.064 62.100 0.011 0.000 1.039 563 T CB 1.701 70.595 68.868 0.044 0.000 1.374 563 T HN 0.543 nan 8.240 nan 0.000 0.523 564 K N 0.793 121.221 120.400 0.046 0.000 2.098 564 K HA 0.636 4.959 4.320 0.005 0.000 0.258 564 K C -2.727 173.892 176.600 0.033 0.000 0.973 564 K CA -2.092 54.242 56.287 0.079 0.000 0.898 564 K CB 0.529 33.114 32.500 0.142 0.000 1.057 564 K HN 0.326 nan 8.250 nan 0.000 0.447 565 P HA 0.018 nan 4.420 nan 0.000 0.263 565 P C -0.656 176.650 177.300 0.011 0.000 1.175 565 P CA 0.194 63.296 63.100 0.003 0.000 0.761 565 P CB 0.845 32.550 31.700 0.008 0.000 0.794 566 G N 2.163 110.964 108.800 0.002 0.000 2.971 566 G HA2 0.325 4.288 3.960 0.005 0.000 0.235 566 G HA3 0.325 4.288 3.960 0.005 0.000 0.235 566 G C -0.669 174.235 174.900 0.007 0.000 1.351 566 G CA -0.439 44.666 45.100 0.009 0.000 1.039 566 G HN 0.341 nan 8.290 nan 0.000 0.563 567 K N 1.424 121.829 120.400 0.008 0.000 2.402 567 K HA 0.171 4.494 4.320 0.005 0.000 0.285 567 K C -2.025 174.578 176.600 0.005 0.000 1.054 567 K CA -1.034 55.258 56.287 0.007 0.000 1.001 567 K CB 0.331 32.835 32.500 0.007 0.000 0.946 567 K HN 0.038 nan 8.250 nan 0.000 0.473 568 P HA -0.042 nan 4.420 nan 0.000 0.263 568 P C 0.277 177.580 177.300 0.004 0.000 1.168 568 P CA 0.276 63.380 63.100 0.007 0.000 0.759 568 P CB 0.570 32.277 31.700 0.011 0.000 0.782 569 T N 2.204 116.760 114.554 0.004 0.000 2.976 569 T HA 0.079 4.432 4.350 0.005 0.000 0.257 569 T C 0.808 175.506 174.700 -0.003 0.000 1.051 569 T CA 0.827 62.928 62.100 0.002 0.000 1.141 569 T CB 0.113 68.984 68.868 0.006 0.000 0.881 569 T HN 0.286 nan 8.240 nan 0.000 0.461 570 R N 0.807 121.307 120.500 0.001 0.000 2.912 570 R HA 0.471 4.814 4.340 0.005 0.000 0.262 570 R C -2.989 173.312 176.300 0.001 0.000 1.057 570 R CA -2.330 53.765 56.100 -0.008 0.000 0.981 570 R CB 0.027 30.318 30.300 -0.015 0.000 1.201 570 R HN -0.007 nan 8.270 nan 0.000 0.484 571 P HA 0.088 nan 4.420 nan 0.000 0.268 571 P C 0.027 177.337 177.300 0.017 0.000 1.204 571 P CA 0.365 63.467 63.100 0.004 0.000 0.768 571 P CB 0.345 32.043 31.700 -0.004 0.000 0.842 572 N N 0.521 119.235 118.700 0.023 0.000 2.937 572 N HA -0.169 4.574 4.740 0.005 0.000 0.248 572 N C -0.486 175.060 175.510 0.059 0.000 1.069 572 N CA -0.054 53.018 53.050 0.037 0.000 0.822 572 N CB -0.615 37.895 38.487 0.038 0.000 1.122 572 N HN 0.569 nan 8.380 nan 0.000 0.554 573 Q N 0.423 120.255 119.800 0.054 0.000 2.349 573 Q HA 0.205 4.548 4.340 0.005 0.000 0.287 573 Q C 0.987 177.046 176.000 0.098 0.000 1.044 573 Q CA 0.984 56.832 55.803 0.074 0.000 0.918 573 Q CB 0.852 29.619 28.738 0.049 0.000 1.242 573 Q HN 0.378 nan 8.270 nan 0.000 0.405 574 G N 2.781 111.679 108.800 0.163 0.000 2.532 574 G HA2 0.440 4.403 3.960 0.005 0.000 0.291 574 G HA3 0.440 4.403 3.960 0.005 0.000 0.291 574 G C -2.281 172.752 174.900 0.221 0.000 1.349 574 G CA -0.999 44.230 45.100 0.214 0.000 1.038 574 G HN 0.407 nan 8.290 nan 0.000 0.518 575 P HA 0.422 nan 4.420 nan 0.000 0.278 575 P C -0.463 176.971 177.300 0.223 0.000 1.270 575 P CA 0.368 63.600 63.100 0.220 0.000 0.800 575 P CB 0.571 32.434 31.700 0.273 0.000 1.142 576 A N -0.913 122.003 122.820 0.160 0.000 2.580 576 A HA 0.409 4.732 4.320 0.005 0.000 0.301 576 A C -0.807 176.837 177.584 0.100 0.000 1.054 576 A CA -0.317 51.797 52.037 0.128 0.000 0.751 576 A CB 0.071 19.078 19.000 0.010 0.000 1.275 576 A HN 0.594 nan 8.150 nan 0.000 0.403 577 H N 0.484 119.574 119.070 0.034 0.000 2.639 577 H HA 0.478 5.037 4.556 0.005 0.000 0.267 577 H C -0.113 175.323 175.328 0.180 0.000 0.958 577 H CA 1.458 57.593 56.048 0.146 0.000 1.221 577 H CB 0.496 30.359 29.762 0.168 0.000 1.446 577 H HN 0.809 nan 8.280 nan 0.000 0.512 578 F N -2.062 117.865 119.950 -0.037 0.000 2.744 578 F HA 0.525 5.055 4.527 0.005 0.000 0.311 578 F C -1.610 174.056 175.800 -0.225 0.000 1.144 578 F CA -1.285 56.540 58.000 -0.291 0.000 0.938 578 F CB 1.585 40.185 39.000 -0.667 0.000 1.292 578 F HN -0.266 nan 8.300 nan 0.000 0.444 579 E N 1.469 121.518 120.200 -0.252 0.000 2.195 579 E HA 0.667 5.020 4.350 0.005 0.000 0.271 579 E C -1.992 174.557 176.600 -0.085 0.000 0.923 579 E CA -1.158 55.113 56.400 -0.214 0.000 0.790 579 E CB 2.369 32.004 29.700 -0.108 0.000 1.155 579 E HN 0.681 nan 8.360 nan 0.000 0.402 580 L N 3.008 124.227 121.223 -0.006 0.000 2.349 580 L HA 0.253 4.596 4.340 0.005 0.000 0.278 580 L C -1.018 175.849 176.870 -0.005 0.000 0.996 580 L CA -0.516 54.362 54.840 0.064 0.000 0.825 580 L CB 1.231 43.377 42.059 0.145 0.000 1.243 580 L HN 0.561 nan 8.230 nan 0.000 0.412 581 H N 4.459 123.510 119.070 -0.032 0.000 3.224 581 H HA 0.274 4.833 4.556 0.005 0.000 0.265 581 H C -0.330 175.014 175.328 0.026 0.000 1.461 581 H CA 0.112 56.164 56.048 0.007 0.000 1.509 581 H CB -0.218 29.569 29.762 0.041 0.000 1.686 581 H HN 0.499 nan 8.280 nan 0.000 0.514 582 H N 3.283 122.279 119.070 -0.123 0.000 2.544 582 H HA -0.078 4.481 4.556 0.005 0.000 0.365 582 H C 0.927 176.024 175.328 -0.384 0.000 1.268 582 H CA 0.257 56.278 56.048 -0.045 0.000 1.400 582 H CB 0.595 30.464 29.762 0.178 0.000 1.538 582 H HN 0.830 nan 8.280 nan 0.000 0.597 583 Y N -0.657 119.580 120.300 -0.105 0.000 2.403 583 Y HA 0.009 4.562 4.550 0.004 0.000 0.291 583 Y C 1.765 177.480 175.900 -0.308 0.000 1.143 583 Y CA 0.914 58.905 58.100 -0.181 0.000 1.257 583 Y CB -0.239 38.177 38.460 -0.074 0.000 0.984 583 Y HN 0.438 nan 8.280 nan 0.000 0.550 584 A N 0.498 122.486 122.820 -1.387 0.000 2.238 584 A HA 0.583 4.906 4.320 0.005 0.000 0.210 584 A C 1.233 178.424 177.584 -0.654 0.000 1.179 584 A CA 0.636 51.909 52.037 -1.273 0.000 0.827 584 A CB -0.805 16.931 19.000 -2.107 0.000 0.856 584 A HN 0.899 nan 8.150 nan 0.000 0.488 585 G N -0.804 107.707 108.800 -0.480 0.000 2.351 585 G HA2 0.147 4.110 3.960 0.005 0.000 0.353 585 G HA3 0.147 4.110 3.960 0.005 0.000 0.353 585 G C -1.614 173.210 174.900 -0.127 0.000 1.358 585 G CA -0.934 44.016 45.100 -0.249 0.000 0.995 585 G HN 0.170 nan 8.290 nan 0.000 0.611 586 N N -0.175 118.515 118.700 -0.016 0.000 2.415 586 N HA 0.461 5.204 4.740 0.005 0.000 0.246 586 N C 0.034 175.537 175.510 -0.011 0.000 1.078 586 N CA -0.213 52.857 53.050 0.034 0.000 0.942 586 N CB 1.779 40.319 38.487 0.089 0.000 1.140 586 N HN 0.506 nan 8.380 nan 0.000 0.501 587 V N 4.370 124.283 119.914 -0.001 0.000 2.385 587 V HA 0.316 4.438 4.120 0.005 0.000 0.269 587 V C -2.034 173.788 176.094 -0.454 0.000 1.043 587 V CA -1.726 60.457 62.300 -0.196 0.000 0.906 587 V CB 1.189 32.900 31.823 -0.187 0.000 0.995 587 V HN 0.511 nan 8.190 nan 0.000 0.467 588 P HA 0.338 nan 4.420 nan 0.000 0.282 588 P C -1.215 175.745 177.300 -0.567 0.000 1.274 588 P CA -0.012 62.852 63.100 -0.395 0.000 0.770 588 P CB 0.247 31.827 31.700 -0.199 0.000 0.867 589 Y N 0.470 120.476 120.300 -0.489 0.000 2.487 589 Y HA 0.535 5.087 4.550 0.004 0.000 0.337 589 Y C 0.867 176.594 175.900 -0.287 0.000 1.076 589 Y CA -0.485 57.378 58.100 -0.395 0.000 1.115 589 Y CB 1.840 40.010 38.460 -0.483 0.000 1.235 589 Y HN 0.148 nan 8.280 nan 0.000 0.468 590 S N 2.310 118.015 115.700 0.009 0.000 2.566 590 S HA 0.325 4.798 4.470 0.005 0.000 0.324 590 S C 0.211 174.711 174.600 -0.167 0.000 1.081 590 S CA -0.724 57.483 58.200 0.011 0.000 1.105 590 S CB -0.170 63.089 63.200 0.099 0.000 0.981 590 S HN 0.584 nan 8.310 nan 0.000 0.464 591 I N 2.685 122.844 120.570 -0.684 0.000 3.686 591 I HA 0.248 4.420 4.170 0.005 0.000 0.308 591 I C 0.687 176.416 176.117 -0.647 0.000 1.254 591 I CA -0.008 60.466 61.300 -1.376 0.000 1.175 591 I CB -0.968 36.420 38.000 -1.019 0.000 1.009 591 I HN 0.313 nan 8.210 nan 0.000 0.459 592 T N 2.651 117.070 114.554 -0.225 0.000 2.784 592 T HA 0.434 4.787 4.350 0.005 0.000 0.291 592 T C 1.332 176.178 174.700 0.243 0.000 0.942 592 T CA 0.759 62.884 62.100 0.042 0.000 1.161 592 T CB 0.454 69.420 68.868 0.164 0.000 0.885 592 T HN 0.774 nan 8.240 nan 0.000 0.534 593 G N 2.989 111.899 108.800 0.183 0.000 2.213 593 G HA2 -0.239 3.724 3.960 0.005 0.000 0.236 593 G HA3 -0.239 3.724 3.960 0.005 0.000 0.236 593 G C 0.965 175.990 174.900 0.209 0.000 0.991 593 G CA 0.012 45.227 45.100 0.192 0.000 0.629 593 G HN 0.694 nan 8.290 nan 0.000 0.517 594 W N 0.733 121.955 121.300 -0.130 0.000 2.325 594 W HA 0.070 4.733 4.660 0.005 0.000 0.299 594 W C 2.450 178.660 176.519 -0.515 0.000 1.215 594 W CA 1.657 58.777 57.345 -0.376 0.000 1.244 594 W CB -1.070 28.147 29.460 -0.405 0.000 1.140 594 W HN 0.348 nan 8.180 nan 0.000 0.523 595 L N 0.339 121.463 121.223 -0.166 0.000 2.046 595 L HA -0.221 4.122 4.340 0.005 0.000 0.208 595 L C 2.516 179.300 176.870 -0.144 0.000 1.077 595 L CA 2.462 57.172 54.840 -0.217 0.000 0.747 595 L CB -1.735 40.237 42.059 -0.146 0.000 0.896 595 L HN 0.224 nan 8.230 nan 0.000 0.432 596 E N 0.128 120.285 120.200 -0.072 0.000 2.107 596 E HA -0.210 4.143 4.350 0.005 0.000 0.191 596 E C 1.826 178.398 176.600 -0.048 0.000 0.982 596 E CA 1.003 57.380 56.400 -0.038 0.000 0.809 596 E CB -0.241 29.459 29.700 0.000 0.000 0.756 596 E HN 0.469 nan 8.360 nan 0.000 0.459 597 K N 0.343 120.698 120.400 -0.075 0.000 2.366 597 K HA -0.003 4.320 4.320 0.005 0.000 0.198 597 K C 1.679 178.218 176.600 -0.102 0.000 1.044 597 K CA 0.837 57.099 56.287 -0.043 0.000 0.973 597 K CB -0.096 32.421 32.500 0.030 0.000 0.767 597 K HN 0.248 nan 8.250 nan 0.000 0.475 598 N N 1.282 119.807 118.700 -0.292 0.000 2.197 598 N HA -0.072 4.671 4.740 0.005 0.000 0.184 598 N C 0.007 175.476 175.510 -0.068 0.000 1.030 598 N CA 0.454 53.340 53.050 -0.273 0.000 0.851 598 N CB 0.383 38.613 38.487 -0.429 0.000 1.003 598 N HN 0.109 nan 8.380 nan 0.000 0.430 599 K N 0.381 120.741 120.400 -0.066 0.000 2.098 599 K HA 0.270 4.593 4.320 0.005 0.000 0.261 599 K C -1.441 175.164 176.600 0.009 0.000 0.987 599 K CA -0.538 55.742 56.287 -0.012 0.000 0.916 599 K CB 1.765 34.258 32.500 -0.011 0.000 1.039 599 K HN -0.164 nan 8.250 nan 0.000 0.455 600 D N 2.737 123.155 120.400 0.029 0.000 2.499 600 D HA 0.237 4.880 4.640 0.005 0.000 0.225 600 D C -2.334 173.992 176.300 0.044 0.000 1.124 600 D CA -1.848 52.176 54.000 0.041 0.000 0.938 600 D CB 0.597 41.430 40.800 0.054 0.000 1.014 600 D HN 0.322 nan 8.370 nan 0.000 0.517 601 P HA 0.043 nan 4.420 nan 0.000 0.260 601 P C -0.784 176.547 177.300 0.051 0.000 1.185 601 P CA 0.097 63.219 63.100 0.036 0.000 0.763 601 P CB 0.440 32.156 31.700 0.026 0.000 0.776 602 I N 3.530 124.135 120.570 0.058 0.000 2.571 602 I HA 0.144 4.317 4.170 0.005 0.000 0.286 602 I C -0.469 175.690 176.117 0.071 0.000 1.134 602 I CA -0.830 60.518 61.300 0.080 0.000 1.052 602 I CB 1.492 39.558 38.000 0.110 0.000 1.237 602 I HN 0.194 nan 8.210 nan 0.000 0.435 603 N N 5.171 123.907 118.700 0.059 0.000 2.211 603 N HA -0.144 4.599 4.740 0.005 0.000 0.283 603 N C 0.975 176.514 175.510 0.049 0.000 1.393 603 N CA 0.470 53.546 53.050 0.043 0.000 0.954 603 N CB 0.358 38.864 38.487 0.031 0.000 1.349 603 N HN 0.426 nan 8.380 nan 0.000 0.491 604 E N 0.932 121.159 120.200 0.045 0.000 2.171 604 E HA -0.257 4.096 4.350 0.005 0.000 0.197 604 E C 1.355 177.978 176.600 0.037 0.000 0.997 604 E CA 0.909 57.337 56.400 0.047 0.000 0.810 604 E CB -0.063 29.659 29.700 0.035 0.000 0.738 604 E HN 0.510 nan 8.360 nan 0.000 0.467 605 N N 0.285 118.999 118.700 0.025 0.000 2.109 605 N HA -0.102 4.641 4.740 0.005 0.000 0.188 605 N C 1.705 177.217 175.510 0.004 0.000 1.034 605 N CA 1.040 54.098 53.050 0.014 0.000 0.846 605 N CB -0.297 38.196 38.487 0.010 0.000 1.010 605 N HN 0.063 nan 8.380 nan 0.000 0.425 606 V N 0.789 120.704 119.914 0.003 0.000 2.324 606 V HA -0.225 3.898 4.120 0.005 0.000 0.250 606 V C 2.503 178.558 176.094 -0.065 0.000 1.060 606 V CA 1.457 63.741 62.300 -0.025 0.000 1.042 606 V CB -0.523 31.293 31.823 -0.011 0.000 0.650 606 V HN 0.142 nan 8.190 nan 0.000 0.450 607 V N 0.253 120.164 119.914 -0.005 0.000 2.252 607 V HA -0.331 3.792 4.120 0.005 0.000 0.249 607 V C 2.722 178.820 176.094 0.007 0.000 1.056 607 V CA 2.251 64.574 62.300 0.039 0.000 1.022 607 V CB -1.337 30.585 31.823 0.165 0.000 0.641 607 V HN 0.588 nan 8.190 nan 0.000 0.445 608 A N -0.186 122.645 122.820 0.018 0.000 1.892 608 A HA -0.221 4.102 4.320 0.005 0.000 0.218 608 A C 2.235 179.808 177.584 -0.018 0.000 1.188 608 A CA 2.222 54.267 52.037 0.012 0.000 0.631 608 A CB -0.654 18.353 19.000 0.013 0.000 0.822 608 A HN 0.518 nan 8.150 nan 0.000 0.447 609 L N -0.907 120.291 121.223 -0.041 0.000 1.989 609 L HA -0.224 4.119 4.340 0.005 0.000 0.211 609 L C 2.612 179.428 176.870 -0.090 0.000 1.071 609 L CA 1.483 56.289 54.840 -0.056 0.000 0.749 609 L CB -0.635 41.390 42.059 -0.057 0.000 0.890 609 L HN 0.380 nan 8.230 nan 0.000 0.431 610 L N -0.539 120.580 121.223 -0.174 0.000 2.141 610 L HA -0.103 4.239 4.340 0.005 0.000 0.209 610 L C 2.668 179.464 176.870 -0.124 0.000 1.094 610 L CA 1.077 55.758 54.840 -0.265 0.000 0.763 610 L CB -1.070 40.566 42.059 -0.706 0.000 0.908 610 L HN 0.325 nan 8.230 nan 0.000 0.437 611 G N -0.159 108.617 108.800 -0.040 0.000 2.450 611 G HA2 -0.233 3.730 3.960 0.005 0.000 0.220 611 G HA3 -0.233 3.730 3.960 0.005 0.000 0.220 611 G C 1.390 176.298 174.900 0.013 0.000 1.130 611 G CA 0.742 45.871 45.100 0.048 0.000 0.760 611 G HN 0.471 nan 8.290 nan 0.000 0.557 612 A N 0.079 122.891 122.820 -0.014 0.000 2.415 612 A HA 0.585 4.908 4.320 0.005 0.000 0.248 612 A C 1.341 178.906 177.584 -0.031 0.000 1.299 612 A CA 0.649 52.676 52.037 -0.017 0.000 0.899 612 A CB -0.261 18.730 19.000 -0.015 0.000 0.997 612 A HN 0.395 nan 8.150 nan 0.000 0.506 613 S N -0.167 115.506 115.700 -0.046 0.000 2.580 613 S HA 0.069 4.542 4.470 0.005 0.000 0.261 613 S C 1.088 175.658 174.600 -0.051 0.000 1.366 613 S CA 0.446 58.610 58.200 -0.060 0.000 0.996 613 S CB 0.473 63.626 63.200 -0.078 0.000 0.902 613 S HN 0.510 nan 8.310 nan 0.000 0.566 614 K N 0.198 120.561 120.400 -0.063 0.000 2.348 614 K HA 0.189 4.512 4.320 0.005 0.000 0.194 614 K C -0.118 176.437 176.600 -0.076 0.000 1.052 614 K CA 0.079 56.328 56.287 -0.063 0.000 1.004 614 K CB 0.106 32.566 32.500 -0.067 0.000 0.873 614 K HN 0.487 nan 8.250 nan 0.000 0.523 615 E N 1.717 121.863 120.200 -0.090 0.000 2.257 615 E HA 0.037 4.390 4.350 0.005 0.000 0.278 615 E C -1.989 174.554 176.600 -0.094 0.000 1.049 615 E CA -2.013 54.326 56.400 -0.102 0.000 0.876 615 E CB 1.126 30.757 29.700 -0.114 0.000 1.035 615 E HN -0.116 nan 8.360 nan 0.000 0.419 616 P HA -0.232 nan 4.420 nan 0.000 0.216 616 P C 1.117 178.334 177.300 -0.138 0.000 1.154 616 P CA 0.739 63.784 63.100 -0.091 0.000 0.865 616 P CB 0.182 31.835 31.700 -0.079 0.000 0.789 617 L N -0.693 120.401 121.223 -0.215 0.000 2.027 617 L HA -0.119 4.223 4.340 0.005 0.000 0.206 617 L C 2.135 178.854 176.870 -0.252 0.000 1.074 617 L CA 1.832 56.445 54.840 -0.378 0.000 0.745 617 L CB -1.156 40.602 42.059 -0.502 0.000 0.898 617 L HN -0.185 nan 8.230 nan 0.000 0.433 618 V N 0.080 119.917 119.914 -0.128 0.000 2.407 618 V HA -0.266 3.857 4.120 0.005 0.000 0.248 618 V C 2.787 178.932 176.094 0.085 0.000 1.055 618 V CA 1.510 63.816 62.300 0.010 0.000 1.049 618 V CB -1.476 30.331 31.823 -0.026 0.000 0.662 618 V HN 0.596 nan 8.190 nan 0.000 0.455 619 A N -0.186 122.637 122.820 0.004 0.000 1.858 619 A HA -0.277 4.046 4.320 0.005 0.000 0.216 619 A C 2.311 179.924 177.584 0.049 0.000 1.190 619 A CA 1.984 54.038 52.037 0.028 0.000 0.617 619 A CB -0.555 18.439 19.000 -0.010 0.000 0.827 619 A HN 0.597 nan 8.150 nan 0.000 0.443 620 E N -0.272 119.921 120.200 -0.011 0.000 2.153 620 E HA -0.143 4.210 4.350 0.005 0.000 0.194 620 E C 1.856 178.444 176.600 -0.019 0.000 0.988 620 E CA 0.897 57.290 56.400 -0.012 0.000 0.811 620 E CB -0.188 29.489 29.700 -0.038 0.000 0.746 620 E HN 0.635 nan 8.360 nan 0.000 0.466 621 L N -0.449 120.746 121.223 -0.046 0.000 2.201 621 L HA -0.083 4.260 4.340 0.005 0.000 0.212 621 L C 0.703 177.413 176.870 -0.266 0.000 1.105 621 L CA 0.618 55.372 54.840 -0.144 0.000 0.775 621 L CB 0.090 42.070 42.059 -0.131 0.000 0.913 621 L HN 0.122 nan 8.230 nan 0.000 0.440 622 F N 0.262 120.195 119.950 -0.029 0.000 2.831 622 F HA 0.206 4.736 4.527 0.004 0.000 0.355 622 F C 0.590 176.388 175.800 -0.004 0.000 1.341 622 F CA -0.966 57.030 58.000 -0.007 0.000 1.201 622 F CB 0.101 39.098 39.000 -0.004 0.000 1.058 622 F HN -0.090 nan 8.300 nan 0.000 0.514 623 K N 0.365 120.825 120.400 0.100 0.000 2.201 623 K HA 0.824 5.147 4.320 0.005 0.000 0.278 623 K C -0.156 176.475 176.600 0.052 0.000 1.027 623 K CA -0.618 55.711 56.287 0.070 0.000 0.909 623 K CB 1.762 34.288 32.500 0.043 0.000 1.062 623 K HN 0.116 nan 8.250 nan 0.000 0.465 624 A N 4.315 127.166 122.820 0.052 0.000 2.322 624 A HA 0.361 4.684 4.320 0.005 0.000 0.269 624 A C -1.199 176.402 177.584 0.027 0.000 1.094 624 A CA -1.314 50.747 52.037 0.041 0.000 0.807 624 A CB -0.505 18.520 19.000 0.042 0.000 1.047 624 A HN 0.938 nan 8.150 nan 0.000 0.487 625 P HA 0.074 nan 4.420 nan 0.000 0.316 625 P C -0.151 177.158 177.300 0.015 0.000 1.413 625 P CA 0.412 63.522 63.100 0.017 0.000 0.828 625 P CB 0.303 32.014 31.700 0.017 0.000 1.787 644 T N 1.033 115.620 114.554 0.055 0.000 2.939 644 T HA -0.030 4.323 4.350 0.005 0.000 0.312 644 T C 1.563 176.321 174.700 0.095 0.000 1.064 644 T CA 0.477 62.612 62.100 0.058 0.000 1.136 644 T CB 0.081 68.973 68.868 0.040 0.000 1.035 644 T HN 0.306 nan 8.240 nan 0.000 0.538 645 I N 3.616 124.258 120.570 0.120 0.000 2.113 645 I HA -0.277 3.896 4.170 0.005 0.000 0.242 645 I C 2.875 179.120 176.117 0.214 0.000 1.064 645 I CA 2.196 63.599 61.300 0.172 0.000 1.320 645 I CB -0.723 37.416 38.000 0.232 0.000 1.028 645 I HN 0.901 nan 8.210 nan 0.000 0.406 646 S N 1.203 117.064 115.700 0.268 0.000 2.400 646 S HA -0.181 4.292 4.470 0.005 0.000 0.232 646 S C 2.106 176.819 174.600 0.189 0.000 1.025 646 S CA 1.064 59.419 58.200 0.259 0.000 0.993 646 S CB -0.637 62.719 63.200 0.260 0.000 0.808 646 S HN 0.486 nan 8.310 nan 0.000 0.478 647 A N 0.965 123.871 122.820 0.143 0.000 2.016 647 A HA 0.267 4.590 4.320 0.005 0.000 0.217 647 A C 2.275 179.932 177.584 0.121 0.000 1.162 647 A CA 0.981 53.087 52.037 0.114 0.000 0.662 647 A CB -0.600 18.451 19.000 0.085 0.000 0.812 647 A HN 0.423 nan 8.150 nan 0.000 0.450 648 V N -0.982 119.017 119.914 0.142 0.000 2.346 648 V HA -0.177 3.946 4.120 0.005 0.000 0.244 648 V C 2.419 178.627 176.094 0.189 0.000 1.037 648 V CA 2.199 64.584 62.300 0.141 0.000 1.029 648 V CB -0.877 31.026 31.823 0.134 0.000 0.663 648 V HN 0.785 nan 8.190 nan 0.000 0.454 649 H N 0.807 119.954 119.070 0.128 0.000 2.357 649 H HA -0.120 4.438 4.556 0.004 0.000 0.301 649 H C 2.415 177.845 175.328 0.169 0.000 1.082 649 H CA 2.172 58.314 56.048 0.157 0.000 1.342 649 H CB -0.125 29.720 29.762 0.138 0.000 1.389 649 H HN 0.230 nan 8.280 nan 0.000 0.511 650 R N -0.016 120.574 120.500 0.149 0.000 2.127 650 R HA -0.159 4.184 4.340 0.005 0.000 0.238 650 R C 1.945 178.273 176.300 0.047 0.000 1.134 650 R CA 1.809 57.975 56.100 0.110 0.000 0.975 650 R CB -0.007 30.387 30.300 0.156 0.000 0.865 650 R HN 0.291 nan 8.270 nan 0.000 0.447 651 E N 0.070 120.306 120.200 0.060 0.000 2.076 651 E HA -0.080 4.273 4.350 0.005 0.000 0.190 651 E C 1.720 178.343 176.600 0.038 0.000 0.979 651 E CA 1.667 58.097 56.400 0.049 0.000 0.807 651 E CB 0.053 29.789 29.700 0.060 0.000 0.761 651 E HN 0.404 nan 8.360 nan 0.000 0.454 652 S N -0.327 115.405 115.700 0.054 0.000 2.522 652 S HA 0.011 4.484 4.470 0.005 0.000 0.227 652 S C 1.954 176.597 174.600 0.071 0.000 0.986 652 S CA 0.289 58.549 58.200 0.100 0.000 0.929 652 S CB -0.124 63.181 63.200 0.175 0.000 0.769 652 S HN 0.303 nan 8.310 nan 0.000 0.529 653 L N 1.198 122.356 121.223 -0.110 0.000 2.162 653 L HA 0.077 4.420 4.340 0.005 0.000 0.205 653 L C 1.948 178.732 176.870 -0.142 0.000 1.086 653 L CA 0.754 55.446 54.840 -0.247 0.000 0.778 653 L CB -0.355 41.452 42.059 -0.420 0.000 0.928 653 L HN 0.275 nan 8.230 nan 0.000 0.446 654 N N 0.451 119.113 118.700 -0.065 0.000 2.166 654 N HA -0.237 4.506 4.740 0.005 0.000 0.186 654 N C 1.629 177.122 175.510 -0.027 0.000 1.019 654 N CA 1.112 54.143 53.050 -0.031 0.000 0.856 654 N CB -0.091 38.398 38.487 0.002 0.000 0.993 654 N HN 0.357 nan 8.380 nan 0.000 0.426 655 K N 0.906 121.299 120.400 -0.010 0.000 2.001 655 K HA -0.108 4.215 4.320 0.005 0.000 0.208 655 K C 2.061 178.641 176.600 -0.033 0.000 1.048 655 K CA 0.731 57.023 56.287 0.008 0.000 0.932 655 K CB -0.252 32.274 32.500 0.044 0.000 0.715 655 K HN -0.014 nan 8.250 nan 0.000 0.437 656 L N 1.411 122.588 121.223 -0.076 0.000 1.990 656 L HA -0.243 4.100 4.340 0.005 0.000 0.213 656 L C 2.220 178.904 176.870 -0.310 0.000 1.072 656 L CA 1.936 56.624 54.840 -0.253 0.000 0.755 656 L CB -0.558 41.294 42.059 -0.345 0.000 0.889 656 L HN 0.298 nan 8.230 nan 0.000 0.432 657 M N -0.451 119.010 119.600 -0.232 0.000 2.117 657 M HA -0.217 4.266 4.480 0.005 0.000 0.262 657 M C 2.334 178.626 176.300 -0.014 0.000 1.065 657 M CA 1.729 56.917 55.300 -0.185 0.000 1.114 657 M CB -1.327 31.244 32.600 -0.048 0.000 1.361 657 M HN 0.368 nan 8.290 nan 0.000 0.408 658 K N 0.126 120.533 120.400 0.011 0.000 2.103 658 K HA -0.177 4.146 4.320 0.005 0.000 0.207 658 K C 1.852 178.491 176.600 0.066 0.000 1.048 658 K CA 1.194 57.514 56.287 0.057 0.000 0.930 658 K CB 0.022 32.539 32.500 0.029 0.000 0.716 658 K HN 0.310 nan 8.250 nan 0.000 0.444 659 N N 0.810 119.518 118.700 0.013 0.000 2.080 659 N HA -0.137 4.606 4.740 0.005 0.000 0.189 659 N C 1.996 177.520 175.510 0.023 0.000 1.036 659 N CA 1.237 54.329 53.050 0.070 0.000 0.846 659 N CB -0.230 38.302 38.487 0.075 0.000 1.015 659 N HN 0.156 nan 8.380 nan 0.000 0.423 660 L N 0.038 121.134 121.223 -0.212 0.000 2.013 660 L HA -0.216 4.127 4.340 0.005 0.000 0.212 660 L C 2.019 178.714 176.870 -0.292 0.000 1.073 660 L CA 1.380 55.959 54.840 -0.436 0.000 0.753 660 L CB -0.713 40.700 42.059 -1.075 0.000 0.890 660 L HN 0.200 nan 8.230 nan 0.000 0.432 661 Y N -0.137 120.047 120.300 -0.193 0.000 2.651 661 Y HA -0.154 4.399 4.550 0.005 0.000 0.296 661 Y C 2.373 178.365 175.900 0.154 0.000 1.150 661 Y CA 1.059 59.240 58.100 0.136 0.000 1.348 661 Y CB -0.276 38.218 38.460 0.057 0.000 0.983 661 Y HN 0.258 nan 8.280 nan 0.000 0.555 662 S N -1.689 114.142 115.700 0.218 0.000 2.601 662 S HA 0.230 4.703 4.470 0.005 0.000 0.244 662 S C 0.363 175.042 174.600 0.131 0.000 1.001 662 S CA -0.011 58.294 58.200 0.175 0.000 0.984 662 S CB -0.559 62.733 63.200 0.154 0.000 0.842 662 S HN 0.216 nan 8.310 nan 0.000 0.474 663 T N -1.527 113.111 114.554 0.140 0.000 2.864 663 T HA 0.525 4.877 4.350 0.005 0.000 0.289 663 T C -1.154 173.626 174.700 0.134 0.000 1.082 663 T CA -0.683 61.467 62.100 0.084 0.000 1.009 663 T CB 1.221 70.118 68.868 0.048 0.000 1.234 663 T HN 0.248 nan 8.240 nan 0.000 0.526 664 H N 1.635 120.664 119.070 -0.069 0.000 2.597 664 H HA 0.563 5.122 4.556 0.005 0.000 0.303 664 H C -2.818 172.282 175.328 -0.380 0.000 1.057 664 H CA -2.252 53.694 56.048 -0.170 0.000 1.261 664 H CB 0.740 30.429 29.762 -0.122 0.000 1.397 664 H HN 0.324 nan 8.280 nan 0.000 0.461 665 P HA 0.164 nan 4.420 nan 0.000 0.272 665 P C -0.822 175.669 177.300 -1.348 0.000 1.240 665 P CA 0.278 62.858 63.100 -0.867 0.000 0.791 665 P CB 0.701 31.847 31.700 -0.923 0.000 0.978 666 H N 0.011 118.580 119.070 -0.834 0.000 3.085 666 H HA 0.373 4.932 4.556 0.006 0.000 0.356 666 H C -1.199 173.702 175.328 -0.711 0.000 1.178 666 H CA -0.140 55.612 56.048 -0.493 0.000 1.214 666 H CB 0.774 30.375 29.762 -0.268 0.000 1.881 666 H HN 0.260 nan 8.280 nan 0.000 0.538 667 F N 0.870 120.956 119.950 0.227 0.000 2.529 667 F HA 0.439 4.969 4.527 0.005 0.000 0.320 667 F C -0.032 175.948 175.800 0.299 0.000 1.118 667 F CA -0.854 57.316 58.000 0.283 0.000 0.915 667 F CB 1.927 41.156 39.000 0.382 0.000 1.161 667 F HN 0.082 nan 8.300 nan 0.000 0.445 668 V N 4.152 124.280 119.914 0.357 0.000 2.376 668 V HA 0.472 4.595 4.120 0.005 0.000 0.287 668 V C -0.267 175.940 176.094 0.188 0.000 1.015 668 V CA -0.872 61.584 62.300 0.260 0.000 0.834 668 V CB 1.393 33.325 31.823 0.181 0.000 1.001 668 V HN 0.573 nan 8.190 nan 0.000 0.428 669 R N 2.931 123.509 120.500 0.130 0.000 2.230 669 R HA 0.379 4.721 4.340 0.005 0.000 0.337 669 R C -0.624 175.665 176.300 -0.019 0.000 1.063 669 R CA -0.263 55.827 56.100 -0.017 0.000 0.935 669 R CB 1.009 31.179 30.300 -0.215 0.000 1.121 669 R HN 0.643 nan 8.270 nan 0.000 0.486 670 C N 4.586 123.878 119.300 -0.012 0.000 2.527 670 C HA 0.517 4.979 4.460 0.005 0.000 0.396 670 C C 0.903 175.849 174.990 -0.073 0.000 1.289 670 C CA -0.364 58.634 59.018 -0.034 0.000 2.047 670 C CB -0.335 27.393 27.740 -0.019 0.000 2.568 670 C HN 0.623 nan 8.230 nan 0.000 0.573 671 I N 3.823 124.327 120.570 -0.109 0.000 2.619 671 I HA 0.426 4.599 4.170 0.005 0.000 0.292 671 I C -0.454 175.577 176.117 -0.143 0.000 1.100 671 I CA -0.471 60.756 61.300 -0.123 0.000 1.043 671 I CB 1.587 39.499 38.000 -0.147 0.000 1.239 671 I HN 0.580 nan 8.210 nan 0.000 0.420 672 I N 7.984 128.501 120.570 -0.088 0.000 2.304 672 I HA 0.325 4.498 4.170 0.005 0.000 0.291 672 I C -1.489 174.605 176.117 -0.038 0.000 1.018 672 I CA -2.125 59.152 61.300 -0.039 0.000 1.260 672 I CB 1.859 39.880 38.000 0.035 0.000 1.390 672 I HN 0.420 nan 8.210 nan 0.000 0.475 673 P HA -0.070 nan 4.420 nan 0.000 0.219 673 P C -0.709 176.608 177.300 0.028 0.000 1.150 673 P CA 1.075 64.135 63.100 -0.067 0.000 0.814 673 P CB -0.040 31.556 31.700 -0.173 0.000 0.787 674 N N -2.541 116.207 118.700 0.080 0.000 2.927 674 N HA 0.140 4.883 4.740 0.005 0.000 0.248 674 N C -0.100 175.416 175.510 0.011 0.000 1.443 674 N CA -0.706 52.365 53.050 0.035 0.000 0.870 674 N CB 0.260 38.762 38.487 0.025 0.000 1.444 674 N HN -0.373 nan 8.380 nan 0.000 0.519 675 E N 0.151 120.342 120.200 -0.014 0.000 2.403 675 E HA 0.196 4.549 4.350 0.005 0.000 0.188 675 E C 0.265 176.824 176.600 -0.068 0.000 1.056 675 E CA 0.208 56.594 56.400 -0.023 0.000 0.892 675 E CB -0.120 29.574 29.700 -0.011 0.000 1.049 675 E HN 0.578 nan 8.360 nan 0.000 0.465 676 L N -0.467 120.684 121.223 -0.121 0.000 2.966 676 L HA 0.208 4.551 4.340 0.005 0.000 0.262 676 L C 0.510 177.201 176.870 -0.298 0.000 1.165 676 L CA -0.136 54.611 54.840 -0.155 0.000 0.978 676 L CB 0.214 42.211 42.059 -0.104 0.000 1.337 676 L HN -0.076 nan 8.230 nan 0.000 0.563 677 K N 0.193 120.246 120.400 -0.579 0.000 3.274 677 K HA -0.225 4.097 4.320 0.005 0.000 0.300 677 K C 0.155 176.257 176.600 -0.830 0.000 1.230 677 K CA 0.764 56.263 56.287 -1.314 0.000 0.884 677 K CB -1.358 30.701 32.500 -0.736 0.000 1.242 677 K HN 0.452 nan 8.250 nan 0.000 0.467 678 Q N 0.788 120.356 119.800 -0.387 0.000 2.279 678 Q HA 0.204 4.547 4.340 0.005 0.000 0.256 678 Q C -2.436 173.588 176.000 0.039 0.000 0.937 678 Q CA -1.994 53.735 55.803 -0.123 0.000 0.933 678 Q CB 1.035 29.733 28.738 -0.066 0.000 1.189 678 Q HN -0.049 nan 8.270 nan 0.000 0.417 679 P HA 0.013 nan 4.420 nan 0.000 0.271 679 P C 0.473 177.779 177.300 0.010 0.000 1.218 679 P CA 0.559 63.738 63.100 0.133 0.000 0.780 679 P CB 0.753 32.501 31.700 0.079 0.000 0.901 680 G N 1.102 109.792 108.800 -0.183 0.000 2.257 680 G HA2 -0.277 3.685 3.960 0.005 0.000 0.267 680 G HA3 -0.277 3.685 3.960 0.005 0.000 0.267 680 G C -0.077 174.826 174.900 0.005 0.000 0.984 680 G CA 0.147 45.075 45.100 -0.287 0.000 0.626 680 G HN 0.591 nan 8.290 nan 0.000 0.540 681 L N 1.776 123.088 121.223 0.149 0.000 2.281 681 L HA 0.703 5.046 4.340 0.005 0.000 0.285 681 L C 0.119 177.121 176.870 0.219 0.000 1.074 681 L CA -0.712 54.214 54.840 0.142 0.000 0.817 681 L CB 1.588 43.694 42.059 0.078 0.000 1.168 681 L HN 0.058 nan 8.230 nan 0.000 0.434 682 V N 4.594 124.606 119.914 0.163 0.000 2.459 682 V HA 0.390 4.512 4.120 0.005 0.000 0.295 682 V C -0.751 175.379 176.094 0.060 0.000 1.029 682 V CA -0.616 61.758 62.300 0.123 0.000 0.874 682 V CB 1.713 33.616 31.823 0.133 0.000 0.985 682 V HN 0.770 nan 8.190 nan 0.000 0.438 683 D N 3.615 124.032 120.400 0.028 0.000 2.461 683 D HA 0.560 5.203 4.640 0.005 0.000 0.240 683 D C 0.807 177.100 176.300 -0.011 0.000 1.094 683 D CA 0.070 54.073 54.000 0.006 0.000 0.868 683 D CB 1.786 42.584 40.800 -0.004 0.000 1.062 683 D HN 0.513 nan 8.370 nan 0.000 0.530 684 A N 3.977 126.793 122.820 -0.008 0.000 1.869 684 A HA -0.251 4.071 4.320 0.005 0.000 0.218 684 A C 1.846 179.404 177.584 -0.043 0.000 1.203 684 A CA 1.789 53.816 52.037 -0.017 0.000 0.638 684 A CB -0.676 18.314 19.000 -0.015 0.000 0.831 684 A HN 0.705 nan 8.150 nan 0.000 0.450 685 E N -1.102 119.055 120.200 -0.072 0.000 2.273 685 E HA -0.209 4.144 4.350 0.005 0.000 0.198 685 E C 1.738 178.270 176.600 -0.112 0.000 1.002 685 E CA 1.290 57.622 56.400 -0.113 0.000 0.828 685 E CB -0.120 29.497 29.700 -0.138 0.000 0.747 685 E HN 0.517 nan 8.360 nan 0.000 0.491 686 L N -0.634 120.550 121.223 -0.065 0.000 2.130 686 L HA -0.044 4.299 4.340 0.005 0.000 0.200 686 L C 2.144 179.017 176.870 0.004 0.000 1.075 686 L CA 0.998 55.819 54.840 -0.032 0.000 0.768 686 L CB -0.399 41.644 42.059 -0.026 0.000 0.933 686 L HN -0.066 nan 8.230 nan 0.000 0.451 687 V N 0.080 119.982 119.914 -0.019 0.000 2.343 687 V HA -0.298 3.825 4.120 0.005 0.000 0.247 687 V C 2.620 178.705 176.094 -0.015 0.000 1.051 687 V CA 2.070 64.350 62.300 -0.034 0.000 1.036 687 V CB -0.619 31.173 31.823 -0.052 0.000 0.654 687 V HN 0.413 nan 8.190 nan 0.000 0.451 688 L N -0.927 120.299 121.223 0.005 0.000 2.042 688 L HA -0.238 4.105 4.340 0.005 0.000 0.210 688 L C 2.609 179.508 176.870 0.048 0.000 1.076 688 L CA 1.818 56.673 54.840 0.025 0.000 0.749 688 L CB -0.753 41.323 42.059 0.027 0.000 0.893 688 L HN 0.393 nan 8.230 nan 0.000 0.432 689 H N 0.212 119.235 119.070 -0.078 0.000 2.290 689 H HA -0.198 4.361 4.556 0.004 0.000 0.298 689 H C 2.373 177.637 175.328 -0.105 0.000 1.087 689 H CA 1.910 57.901 56.048 -0.095 0.000 1.291 689 H CB -0.076 29.628 29.762 -0.097 0.000 1.369 689 H HN 0.331 nan 8.280 nan 0.000 0.492 690 Q N -0.273 119.523 119.800 -0.007 0.000 2.061 690 Q HA -0.131 4.212 4.340 0.005 0.000 0.204 690 Q C 2.592 178.518 176.000 -0.124 0.000 0.984 690 Q CA 1.570 57.322 55.803 -0.085 0.000 0.846 690 Q CB -0.184 28.514 28.738 -0.067 0.000 0.902 690 Q HN 0.430 nan 8.270 nan 0.000 0.421 691 L N 0.652 121.813 121.223 -0.103 0.000 2.127 691 L HA -0.257 4.086 4.340 0.005 0.000 0.211 691 L C 2.612 179.399 176.870 -0.138 0.000 1.089 691 L CA 1.107 55.873 54.840 -0.125 0.000 0.757 691 L CB -0.423 41.586 42.059 -0.082 0.000 0.899 691 L HN 0.278 nan 8.230 nan 0.000 0.434 692 Q N -0.148 119.568 119.800 -0.140 0.000 2.119 692 Q HA -0.158 4.185 4.340 0.005 0.000 0.201 692 Q C 2.060 177.888 176.000 -0.287 0.000 0.972 692 Q CA 2.079 57.772 55.803 -0.183 0.000 0.847 692 Q CB -0.250 28.377 28.738 -0.185 0.000 0.903 692 Q HN 0.554 nan 8.270 nan 0.000 0.433 693 C N -0.226 118.891 119.300 -0.304 0.000 2.865 693 C HA 0.312 4.775 4.460 0.005 0.000 0.280 693 C C 2.171 177.066 174.990 -0.158 0.000 1.255 693 C CA -0.053 58.748 59.018 -0.361 0.000 1.705 693 C CB -1.167 26.417 27.740 -0.260 0.000 2.080 693 C HN 0.606 nan 8.230 nan 0.000 0.591 694 N N 1.300 119.902 118.700 -0.165 0.000 2.043 694 N HA 0.015 4.758 4.740 0.005 0.000 0.193 694 N C 1.542 176.894 175.510 -0.264 0.000 1.037 694 N CA 2.770 55.700 53.050 -0.200 0.000 0.851 694 N CB -0.121 38.209 38.487 -0.262 0.000 1.027 694 N HN 0.522 nan 8.380 nan 0.000 0.422 695 G N -2.153 106.490 108.800 -0.262 0.000 2.367 695 G HA2 -0.226 3.736 3.960 0.005 0.000 0.181 695 G HA3 -0.226 3.736 3.960 0.005 0.000 0.181 695 G C 0.992 175.702 174.900 -0.316 0.000 1.000 695 G CA 0.486 45.428 45.100 -0.264 0.000 0.693 695 G HN 0.509 nan 8.290 nan 0.000 0.480 696 V N -0.153 119.471 119.914 -0.483 0.000 2.323 696 V HA 0.146 4.269 4.120 0.005 0.000 0.244 696 V C 2.626 178.726 176.094 0.009 0.000 1.041 696 V CA 1.994 64.165 62.300 -0.214 0.000 1.025 696 V CB -0.933 30.735 31.823 -0.257 0.000 0.656 696 V HN 0.319 nan 8.190 nan 0.000 0.451 697 L N -0.177 121.020 121.223 -0.043 0.000 2.083 697 L HA -0.068 4.274 4.340 0.005 0.000 0.209 697 L C 2.967 179.855 176.870 0.031 0.000 1.083 697 L CA 1.590 56.428 54.840 -0.003 0.000 0.752 697 L CB -0.662 41.379 42.059 -0.030 0.000 0.899 697 L HN 0.333 nan 8.230 nan 0.000 0.433 698 E N 0.053 120.280 120.200 0.045 0.000 2.285 698 E HA -0.074 4.279 4.350 0.005 0.000 0.194 698 E C 2.131 178.791 176.600 0.100 0.000 0.997 698 E CA 1.012 57.464 56.400 0.086 0.000 0.845 698 E CB -0.132 29.666 29.700 0.164 0.000 0.782 698 E HN 0.474 nan 8.360 nan 0.000 0.491 699 G N 0.485 109.381 108.800 0.160 0.000 2.551 699 G HA2 -0.089 3.874 3.960 0.005 0.000 0.216 699 G HA3 -0.089 3.874 3.960 0.005 0.000 0.216 699 G C 1.662 176.639 174.900 0.127 0.000 1.137 699 G CA -0.048 45.203 45.100 0.253 0.000 0.798 699 G HN 0.170 nan 8.290 nan 0.000 0.536 700 I N -0.060 120.570 120.570 0.100 0.000 2.480 700 I HA -0.001 4.172 4.170 0.005 0.000 0.251 700 I C 2.766 178.898 176.117 0.025 0.000 1.124 700 I CA 0.511 61.849 61.300 0.063 0.000 1.444 700 I CB -0.077 37.961 38.000 0.064 0.000 1.098 700 I HN 0.108 nan 8.210 nan 0.000 0.428 701 R N 1.340 121.850 120.500 0.018 0.000 2.092 701 R HA -0.150 4.193 4.340 0.005 0.000 0.231 701 R C 2.259 178.526 176.300 -0.054 0.000 1.119 701 R CA 1.338 57.441 56.100 0.005 0.000 0.970 701 R CB -0.065 30.250 30.300 0.025 0.000 0.864 701 R HN 0.182 nan 8.270 nan 0.000 0.440 702 I N 1.131 121.621 120.570 -0.133 0.000 2.286 702 I HA -0.274 3.899 4.170 0.005 0.000 0.248 702 I C 2.101 177.933 176.117 -0.476 0.000 1.115 702 I CA 1.049 62.088 61.300 -0.435 0.000 1.392 702 I CB -0.906 36.766 38.000 -0.548 0.000 1.065 702 I HN 0.356 nan 8.210 nan 0.000 0.418 703 C N -0.300 118.877 119.300 -0.204 0.000 2.539 703 C HA 0.031 4.494 4.460 0.005 0.000 0.268 703 C C 2.779 177.784 174.990 0.025 0.000 1.395 703 C CA -0.095 58.893 59.018 -0.050 0.000 1.757 703 C CB -0.967 26.776 27.740 0.006 0.000 1.851 703 C HN 0.395 nan 8.230 nan 0.000 0.545 704 R N 1.338 121.840 120.500 0.003 0.000 2.092 704 R HA -0.082 4.261 4.340 0.005 0.000 0.231 704 R C 2.161 178.461 176.300 -0.001 0.000 1.119 704 R CA 1.056 57.168 56.100 0.020 0.000 0.970 704 R CB -0.064 30.252 30.300 0.026 0.000 0.864 704 R HN 0.561 nan 8.270 nan 0.000 0.440 705 K N -0.520 119.902 120.400 0.037 0.000 2.089 705 K HA -0.140 4.183 4.320 0.005 0.000 0.210 705 K C 1.547 178.115 176.600 -0.053 0.000 1.048 705 K CA 1.390 57.725 56.287 0.080 0.000 0.926 705 K CB -0.235 32.420 32.500 0.258 0.000 0.714 705 K HN 0.225 nan 8.250 nan 0.000 0.448 706 G N 0.520 109.295 108.800 -0.041 0.000 2.928 706 G HA2 0.267 4.229 3.960 0.005 0.000 0.163 706 G HA3 0.267 4.229 3.960 0.005 0.000 0.163 706 G C -0.620 173.809 174.900 -0.785 0.000 1.573 706 G CA -0.504 44.295 45.100 -0.501 0.000 1.084 706 G HN 0.081 nan 8.290 nan 0.000 0.569 707 F N 1.334 121.297 119.950 0.022 0.000 2.451 707 F HA 0.408 4.938 4.527 0.004 0.000 0.367 707 F C -1.751 174.203 175.800 0.257 0.000 1.100 707 F CA -2.020 56.040 58.000 0.100 0.000 1.171 707 F CB 1.699 40.728 39.000 0.048 0.000 1.405 707 F HN 0.114 nan 8.300 nan 0.000 0.482 708 P HA -0.114 nan 4.420 nan 0.000 0.207 708 P C 0.113 177.516 177.300 0.171 0.000 0.993 708 P CA 0.826 64.045 63.100 0.198 0.000 0.885 708 P CB -0.122 31.660 31.700 0.137 0.000 0.600 709 S N 1.570 117.353 115.700 0.139 0.000 2.702 709 S HA 0.003 4.475 4.470 0.005 0.000 0.314 709 S C 0.265 174.915 174.600 0.084 0.000 1.244 709 S CA -0.050 58.212 58.200 0.105 0.000 1.058 709 S CB -0.679 62.591 63.200 0.117 0.000 0.783 709 S HN 0.196 nan 8.310 nan 0.000 0.503 710 R N 2.502 122.969 120.500 -0.055 0.000 2.725 710 R HA 0.707 5.050 4.340 0.005 0.000 0.277 710 R C -1.471 174.733 176.300 -0.160 0.000 0.987 710 R CA -0.978 54.966 56.100 -0.260 0.000 0.901 710 R CB 0.882 30.746 30.300 -0.727 0.000 1.207 710 R HN 0.617 nan 8.270 nan 0.000 0.463 711 L N 2.849 123.973 121.223 -0.164 0.000 2.381 711 L HA 0.568 4.911 4.340 0.005 0.000 0.268 711 L C 0.250 176.995 176.870 -0.209 0.000 0.997 711 L CA -1.335 53.477 54.840 -0.047 0.000 0.818 711 L CB 2.435 44.633 42.059 0.232 0.000 1.310 711 L HN 0.618 nan 8.230 nan 0.000 0.416 712 I N -0.883 119.606 120.570 -0.135 0.000 2.337 712 I HA 0.151 4.323 4.170 0.005 0.000 0.291 712 I C 0.669 176.762 176.117 -0.039 0.000 1.046 712 I CA -0.530 60.660 61.300 -0.183 0.000 1.324 712 I CB 0.267 38.221 38.000 -0.077 0.000 1.409 712 I HN 0.610 nan 8.210 nan 0.000 0.494 713 Y N 3.981 124.315 120.300 0.056 0.000 2.368 713 Y HA -0.406 4.147 4.550 0.005 0.000 0.260 713 Y C 2.695 178.692 175.900 0.162 0.000 1.348 713 Y CA 2.179 60.349 58.100 0.117 0.000 1.049 713 Y CB -1.387 37.106 38.460 0.055 0.000 0.854 713 Y HN 0.739 nan 8.280 nan 0.000 0.531 714 S N -0.314 115.533 115.700 0.245 0.000 2.369 714 S HA -0.311 4.162 4.470 0.005 0.000 0.225 714 S C 1.851 176.538 174.600 0.145 0.000 1.043 714 S CA 1.881 60.176 58.200 0.158 0.000 1.074 714 S CB -0.505 62.753 63.200 0.096 0.000 0.962 714 S HN 0.626 nan 8.310 nan 0.000 0.433 715 E N 0.112 120.394 120.200 0.136 0.000 2.051 715 E HA -0.114 4.238 4.350 0.005 0.000 0.192 715 E C 1.824 178.522 176.600 0.163 0.000 0.991 715 E CA 1.024 57.490 56.400 0.109 0.000 0.799 715 E CB -0.279 29.480 29.700 0.099 0.000 0.748 715 E HN 0.444 nan 8.360 nan 0.000 0.449 716 F N 2.493 122.535 119.950 0.153 0.000 2.091 716 F HA -0.300 4.230 4.527 0.004 0.000 0.299 716 F C 2.240 178.180 175.800 0.233 0.000 1.103 716 F CA 2.193 60.365 58.000 0.286 0.000 1.228 716 F CB -0.122 39.071 39.000 0.322 0.000 0.984 716 F HN -0.113 nan 8.300 nan 0.000 0.477 717 K N 0.104 120.654 120.400 0.249 0.000 2.057 717 K HA -0.270 4.053 4.320 0.005 0.000 0.206 717 K C 2.070 178.651 176.600 -0.032 0.000 1.050 717 K CA 1.613 57.961 56.287 0.102 0.000 0.935 717 K CB -0.900 31.682 32.500 0.136 0.000 0.715 717 K HN 0.470 nan 8.250 nan 0.000 0.439 718 Q N 0.893 120.674 119.800 -0.030 0.000 2.135 718 Q HA -0.202 4.141 4.340 0.005 0.000 0.204 718 Q C 2.195 178.079 176.000 -0.193 0.000 0.981 718 Q CA 1.716 57.467 55.803 -0.086 0.000 0.856 718 Q CB -0.044 28.658 28.738 -0.061 0.000 0.902 718 Q HN 0.333 nan 8.270 nan 0.000 0.425 719 R N -0.982 119.329 120.500 -0.315 0.000 2.140 719 R HA 0.024 4.367 4.340 0.005 0.000 0.213 719 R C 0.306 176.076 176.300 -0.884 0.000 1.059 719 R CA 1.173 56.896 56.100 -0.629 0.000 1.000 719 R CB 0.157 29.961 30.300 -0.827 0.000 0.910 719 R HN 0.455 nan 8.270 nan 0.000 0.455 720 Y N -0.667 119.406 120.300 -0.378 0.000 2.696 720 Y HA 0.391 4.943 4.550 0.005 0.000 0.260 720 Y C 1.346 177.081 175.900 -0.276 0.000 1.165 720 Y CA -0.338 57.512 58.100 -0.418 0.000 1.189 720 Y CB 0.850 38.842 38.460 -0.780 0.000 1.180 720 Y HN -0.044 nan 8.280 nan 0.000 0.538 721 S N 0.328 115.967 115.700 -0.101 0.000 2.453 721 S HA -0.071 4.402 4.470 0.005 0.000 0.231 721 S C 1.966 176.544 174.600 -0.036 0.000 1.005 721 S CA 0.767 58.941 58.200 -0.044 0.000 0.949 721 S CB -0.091 63.084 63.200 -0.042 0.000 0.774 721 S HN 0.439 nan 8.310 nan 0.000 0.510 722 I N 1.431 121.969 120.570 -0.054 0.000 2.567 722 I HA -0.095 4.078 4.170 0.005 0.000 0.257 722 I C 1.598 177.706 176.117 -0.015 0.000 1.184 722 I CA 1.188 62.464 61.300 -0.040 0.000 1.451 722 I CB -0.797 37.170 38.000 -0.055 0.000 1.089 722 I HN 0.325 nan 8.210 nan 0.000 0.441 723 L N 0.369 121.591 121.223 -0.002 0.000 2.552 723 L HA 0.057 4.400 4.340 0.005 0.000 0.227 723 L C 0.852 177.725 176.870 0.005 0.000 1.146 723 L CA 0.231 55.075 54.840 0.006 0.000 0.858 723 L CB -0.138 41.927 42.059 0.010 0.000 0.969 723 L HN 0.210 nan 8.230 nan 0.000 0.451 724 A N -1.336 121.487 122.820 0.006 0.000 3.411 724 A HA 0.388 4.711 4.320 0.005 0.000 0.238 724 A C -2.187 175.402 177.584 0.009 0.000 1.140 724 A CA -0.477 51.566 52.037 0.011 0.000 0.980 724 A CB -0.047 18.967 19.000 0.022 0.000 1.371 724 A HN -0.059 nan 8.150 nan 0.000 0.700 725 P HA -0.090 nan 4.420 nan 0.000 0.216 725 P C 0.955 178.257 177.300 0.004 0.000 1.153 725 P CA 1.064 64.163 63.100 -0.001 0.000 0.844 725 P CB 0.190 31.886 31.700 -0.007 0.000 0.787 726 N N -0.786 117.919 118.700 0.007 0.000 2.501 726 N HA 0.041 4.784 4.740 0.005 0.000 0.195 726 N C 0.944 176.460 175.510 0.009 0.000 1.213 726 N CA 0.595 53.650 53.050 0.009 0.000 0.864 726 N CB -0.111 38.382 38.487 0.010 0.000 0.999 726 N HN 0.134 nan 8.380 nan 0.000 0.454 727 A N -0.266 122.561 122.820 0.011 0.000 2.508 727 A HA 0.249 4.572 4.320 0.005 0.000 0.250 727 A C 0.257 177.849 177.584 0.014 0.000 1.208 727 A CA -0.186 51.859 52.037 0.013 0.000 0.960 727 A CB 0.646 19.656 19.000 0.017 0.000 1.099 727 A HN -0.002 nan 8.150 nan 0.000 0.542 728 I N 1.396 121.974 120.570 0.012 0.000 2.297 728 I HA 0.242 4.414 4.170 0.005 0.000 0.291 728 I C -1.485 174.636 176.117 0.007 0.000 1.033 728 I CA -1.829 59.478 61.300 0.012 0.000 1.253 728 I CB 0.416 38.423 38.000 0.011 0.000 1.396 728 I HN -0.009 nan 8.210 nan 0.000 0.476 729 P HA -0.178 nan 4.420 nan 0.000 0.214 729 P C 0.457 177.757 177.300 0.001 0.000 1.169 729 P CA 0.971 64.073 63.100 0.003 0.000 0.908 729 P CB 0.223 31.924 31.700 0.002 0.000 0.791 735 G N 0.988 109.769 108.800 -0.032 0.000 4.335 735 G HA2 -0.017 3.946 3.960 0.005 0.000 0.188 735 G HA3 -0.017 3.946 3.960 0.005 0.000 0.188 735 G C 1.087 175.930 174.900 -0.094 0.000 1.061 735 G CA 0.853 45.956 45.100 0.005 0.000 1.014 735 G HN 0.330 nan 8.290 nan 0.000 0.340 736 K N 0.633 120.799 120.400 -0.390 0.000 2.155 736 K HA 0.068 4.391 4.320 0.005 0.000 0.203 736 K C 2.377 178.737 176.600 -0.400 0.000 1.052 736 K CA 1.873 57.573 56.287 -0.979 0.000 0.948 736 K CB -0.271 31.534 32.500 -1.158 0.000 0.728 736 K HN 0.273 nan 8.250 nan 0.000 0.448 737 T N 1.037 115.462 114.554 -0.215 0.000 2.544 737 T HA -0.195 4.158 4.350 0.005 0.000 0.264 737 T C 1.835 176.515 174.700 -0.033 0.000 1.096 737 T CA 2.150 64.190 62.100 -0.100 0.000 1.181 737 T CB -0.464 68.368 68.868 -0.060 0.000 0.864 737 T HN 0.025 nan 8.240 nan 0.000 0.415 738 V N 1.619 121.538 119.914 0.008 0.000 2.250 738 V HA -0.247 3.876 4.120 0.005 0.000 0.250 738 V C 2.717 178.898 176.094 0.145 0.000 1.060 738 V CA 2.318 64.661 62.300 0.071 0.000 1.030 738 V CB -1.138 30.740 31.823 0.093 0.000 0.643 738 V HN 0.461 nan 8.190 nan 0.000 0.445 739 S N -0.580 115.241 115.700 0.201 0.000 2.370 739 S HA -0.232 4.241 4.470 0.005 0.000 0.226 739 S C 1.901 176.588 174.600 0.146 0.000 1.033 739 S CA 1.704 60.115 58.200 0.352 0.000 1.011 739 S CB -0.389 63.004 63.200 0.321 0.000 0.852 739 S HN 0.722 nan 8.310 nan 0.000 0.457 740 E N 0.677 120.888 120.200 0.017 0.000 2.204 740 E HA -0.115 4.238 4.350 0.005 0.000 0.195 740 E C 1.988 178.606 176.600 0.030 0.000 0.990 740 E CA 0.759 57.162 56.400 0.005 0.000 0.821 740 E CB -0.035 29.643 29.700 -0.036 0.000 0.750 740 E HN 0.388 nan 8.360 nan 0.000 0.477 741 K N 0.470 120.898 120.400 0.047 0.000 2.098 741 K HA 0.027 4.350 4.320 0.005 0.000 0.203 741 K C 2.027 178.665 176.600 0.064 0.000 1.051 741 K CA 0.365 56.679 56.287 0.045 0.000 0.957 741 K CB 0.176 32.699 32.500 0.038 0.000 0.738 741 K HN 0.013 nan 8.250 nan 0.000 0.447 742 I N 1.047 121.690 120.570 0.123 0.000 2.179 742 I HA -0.313 3.860 4.170 0.005 0.000 0.242 742 I C 1.986 178.163 176.117 0.100 0.000 1.088 742 I CA 1.261 62.644 61.300 0.139 0.000 1.357 742 I CB -0.222 37.932 38.000 0.257 0.000 1.051 742 I HN 0.138 nan 8.210 nan 0.000 0.409 743 L N 0.473 121.753 121.223 0.095 0.000 2.005 743 L HA -0.183 4.159 4.340 0.005 0.000 0.207 743 L C 2.897 179.707 176.870 -0.101 0.000 1.072 743 L CA 1.437 56.226 54.840 -0.085 0.000 0.744 743 L CB -0.833 41.023 42.059 -0.338 0.000 0.895 743 L HN 0.219 nan 8.230 nan 0.000 0.433 744 A N 0.466 123.261 122.820 -0.042 0.000 1.883 744 A HA -0.158 4.165 4.320 0.005 0.000 0.217 744 A C 2.415 180.000 177.584 0.002 0.000 1.186 744 A CA 1.887 53.923 52.037 -0.002 0.000 0.624 744 A CB -1.432 17.582 19.000 0.024 0.000 0.822 744 A HN 0.459 nan 8.150 nan 0.000 0.444 745 G N -0.223 108.582 108.800 0.009 0.000 2.446 745 G HA2 -0.195 3.768 3.960 0.005 0.000 0.217 745 G HA3 -0.195 3.768 3.960 0.005 0.000 0.217 745 G C 1.344 176.244 174.900 0.001 0.000 1.168 745 G CA 0.976 46.082 45.100 0.010 0.000 0.771 745 G HN 0.443 nan 8.290 nan 0.000 0.551 746 L N 1.485 122.702 121.223 -0.008 0.000 2.633 746 L HA -0.029 4.314 4.340 0.005 0.000 0.235 746 L C 1.594 178.452 176.870 -0.019 0.000 1.163 746 L CA 0.992 55.820 54.840 -0.020 0.000 0.859 746 L CB -0.621 41.414 42.059 -0.039 0.000 0.973 746 L HN 0.701 nan 8.230 nan 0.000 0.451 747 Q N -1.341 118.453 119.800 -0.010 0.000 2.468 747 Q HA -0.257 4.086 4.340 0.005 0.000 0.289 747 Q C -0.148 175.855 176.000 0.005 0.000 1.299 747 Q CA 0.481 56.287 55.803 0.005 0.000 0.838 747 Q CB -1.542 27.202 28.738 0.010 0.000 1.195 747 Q HN 0.328 nan 8.270 nan 0.000 0.456 748 M N 1.765 121.347 119.600 -0.029 0.000 2.248 748 M HA 0.045 4.528 4.480 0.005 0.000 0.343 748 M C 0.471 176.832 176.300 0.102 0.000 1.243 748 M CA 0.833 56.109 55.300 -0.040 0.000 1.025 748 M CB 0.279 32.700 32.600 -0.298 0.000 1.759 748 M HN 0.310 nan 8.290 nan 0.000 0.452 749 D N 5.770 126.250 120.400 0.134 0.000 2.338 749 D HA 0.115 4.758 4.640 0.005 0.000 0.255 749 D C -1.771 174.689 176.300 0.267 0.000 1.237 749 D CA -1.545 52.551 54.000 0.159 0.000 0.883 749 D CB 1.170 42.037 40.800 0.112 0.000 1.087 749 D HN 0.270 nan 8.370 nan 0.000 0.485 750 P HA -0.246 nan 4.420 nan 0.000 0.219 750 P C 0.909 178.134 177.300 -0.124 0.000 1.153 750 P CA 1.901 65.020 63.100 0.031 0.000 0.865 750 P CB 0.269 31.961 31.700 -0.013 0.000 0.788 751 A N -0.717 122.105 122.820 0.003 0.000 1.855 751 A HA -0.223 4.099 4.320 0.005 0.000 0.215 751 A C 2.244 179.875 177.584 0.079 0.000 1.191 751 A CA 1.821 53.867 52.037 0.016 0.000 0.613 751 A CB -1.352 17.683 19.000 0.059 0.000 0.829 751 A HN 0.067 nan 8.150 nan 0.000 0.442 752 E N -1.075 119.227 120.200 0.171 0.000 2.136 752 E HA -0.180 4.173 4.350 0.005 0.000 0.202 752 E C 0.642 177.423 176.600 0.302 0.000 1.019 752 E CA 1.960 58.516 56.400 0.260 0.000 0.819 752 E CB -0.324 29.539 29.700 0.271 0.000 0.739 752 E HN 0.833 nan 8.360 nan 0.000 0.458 753 Y N -2.772 117.489 120.300 -0.065 0.000 2.773 753 Y HA 0.808 5.360 4.550 0.004 0.000 0.323 753 Y C -0.438 175.075 175.900 -0.645 0.000 1.183 753 Y CA -1.534 56.381 58.100 -0.308 0.000 1.144 753 Y CB 1.033 39.417 38.460 -0.127 0.000 1.340 753 Y HN -0.362 nan 8.280 nan 0.000 0.531 754 R N 0.439 120.414 120.500 -0.875 0.000 2.664 754 R HA 0.484 4.826 4.340 0.005 0.000 0.266 754 R C -2.086 173.964 176.300 -0.417 0.000 1.046 754 R CA -0.856 54.732 56.100 -0.853 0.000 0.885 754 R CB 2.026 31.664 30.300 -1.103 0.000 1.254 754 R HN 0.870 nan 8.270 nan 0.000 0.465 755 L N 1.484 122.548 121.223 -0.266 0.000 2.294 755 L HA 0.527 4.870 4.340 0.005 0.000 0.283 755 L C 1.086 177.989 176.870 0.056 0.000 1.015 755 L CA -0.707 54.127 54.840 -0.009 0.000 0.831 755 L CB 1.745 43.829 42.059 0.042 0.000 1.217 755 L HN 0.712 nan 8.230 nan 0.000 0.420 756 G N 0.367 109.274 108.800 0.178 0.000 2.543 756 G HA2 0.298 4.261 3.960 0.005 0.000 0.290 756 G HA3 0.298 4.261 3.960 0.005 0.000 0.290 756 G C 0.941 175.990 174.900 0.248 0.000 1.310 756 G CA 0.338 45.563 45.100 0.208 0.000 1.025 756 G HN 0.600 nan 8.290 nan 0.000 0.502 757 T N -4.081 110.590 114.554 0.195 0.000 3.057 757 T HA 0.010 4.363 4.350 0.005 0.000 0.254 757 T C 1.814 176.657 174.700 0.238 0.000 1.094 757 T CA 1.795 64.007 62.100 0.188 0.000 1.088 757 T CB -0.086 68.844 68.868 0.102 0.000 0.934 757 T HN 0.664 nan 8.240 nan 0.000 0.497 758 T N -1.137 113.523 114.554 0.177 0.000 2.989 758 T HA 0.341 4.694 4.350 0.005 0.000 0.250 758 T C 0.384 175.027 174.700 -0.095 0.000 0.981 758 T CA -0.427 61.739 62.100 0.110 0.000 0.980 758 T CB 0.109 69.004 68.868 0.044 0.000 1.133 758 T HN 0.648 nan 8.240 nan 0.000 0.489 759 K N 0.513 120.741 120.400 -0.287 0.000 2.512 759 K HA 0.786 5.108 4.320 0.005 0.000 0.263 759 K C -1.700 174.432 176.600 -0.780 0.000 0.966 759 K CA -1.090 54.798 56.287 -0.665 0.000 0.851 759 K CB 2.743 34.957 32.500 -0.476 0.000 1.395 759 K HN -0.029 nan 8.250 nan 0.000 0.440 760 V N 2.746 122.075 119.914 -0.975 0.000 2.439 760 V HA 0.496 4.619 4.120 0.005 0.000 0.282 760 V C -1.348 174.307 176.094 -0.731 0.000 1.039 760 V CA -0.524 61.342 62.300 -0.724 0.000 0.913 760 V CB 0.286 31.608 31.823 -0.836 0.000 0.983 760 V HN 0.627 nan 8.190 nan 0.000 0.460 761 F N 6.587 126.133 119.950 -0.672 0.000 2.397 761 F HA 0.735 5.265 4.527 0.005 0.000 0.331 761 F C -0.210 175.133 175.800 -0.762 0.000 1.090 761 F CA -0.553 57.138 58.000 -0.515 0.000 1.065 761 F CB 1.369 40.192 39.000 -0.295 0.000 1.184 761 F HN 0.358 nan 8.300 nan 0.000 0.499 762 F N 1.043 121.061 119.950 0.114 0.000 2.588 762 F HA 0.410 4.940 4.527 0.004 0.000 0.310 762 F C 0.069 176.016 175.800 0.244 0.000 1.082 762 F CA -1.426 56.635 58.000 0.102 0.000 0.929 762 F CB 1.505 40.535 39.000 0.049 0.000 1.254 762 F HN 0.178 nan 8.300 nan 0.000 0.455 763 K N 1.037 121.734 120.400 0.495 0.000 2.180 763 K HA 0.537 4.860 4.320 0.005 0.000 0.251 763 K C -0.133 176.612 176.600 0.241 0.000 1.014 763 K CA -0.261 56.251 56.287 0.375 0.000 0.913 763 K CB 0.888 33.565 32.500 0.296 0.000 1.008 763 K HN 0.781 nan 8.250 nan 0.000 0.490 764 A N 0.286 123.205 122.820 0.166 0.000 2.546 764 A HA 0.352 4.675 4.320 0.005 0.000 0.243 764 A C 1.194 178.851 177.584 0.123 0.000 1.063 764 A CA 0.975 53.089 52.037 0.129 0.000 0.757 764 A CB -0.640 18.422 19.000 0.102 0.000 0.991 764 A HN 0.869 nan 8.150 nan 0.000 0.503 765 G N 1.162 110.029 108.800 0.113 0.000 2.212 765 G HA2 -0.289 3.673 3.960 0.005 0.000 0.266 765 G HA3 -0.289 3.673 3.960 0.005 0.000 0.266 765 G C 0.959 175.897 174.900 0.064 0.000 0.978 765 G CA 0.764 45.948 45.100 0.139 0.000 0.632 765 G HN 1.187 nan 8.290 nan 0.000 0.537 766 V N 0.473 120.403 119.914 0.026 0.000 2.244 766 V HA -0.113 4.009 4.120 0.005 0.000 0.244 766 V C 2.718 178.686 176.094 -0.210 0.000 1.042 766 V CA 2.262 64.523 62.300 -0.064 0.000 1.006 766 V CB -0.641 31.155 31.823 -0.045 0.000 0.641 766 V HN 0.364 nan 8.190 nan 0.000 0.446 767 L N 1.167 122.227 121.223 -0.272 0.000 2.137 767 L HA -0.168 4.175 4.340 0.005 0.000 0.213 767 L C 2.359 179.109 176.870 -0.199 0.000 1.085 767 L CA 2.239 56.895 54.840 -0.306 0.000 0.760 767 L CB -1.203 40.767 42.059 -0.148 0.000 0.893 767 L HN 0.369 nan 8.230 nan 0.000 0.434 768 G N -1.304 107.369 108.800 -0.210 0.000 2.440 768 G HA2 -0.314 3.649 3.960 0.005 0.000 0.218 768 G HA3 -0.314 3.649 3.960 0.005 0.000 0.218 768 G C 1.429 176.308 174.900 -0.035 0.000 1.154 768 G CA 1.071 46.022 45.100 -0.248 0.000 0.767 768 G HN 0.556 nan 8.290 nan 0.000 0.552 769 N N 0.150 118.837 118.700 -0.020 0.000 2.058 769 N HA -0.033 4.710 4.740 0.005 0.000 0.191 769 N C 2.233 177.712 175.510 -0.051 0.000 1.037 769 N CA 0.757 53.801 53.050 -0.009 0.000 0.848 769 N CB -0.226 38.246 38.487 -0.026 0.000 1.021 769 N HN 0.210 nan 8.380 nan 0.000 0.422 770 L N 1.315 122.447 121.223 -0.151 0.000 2.127 770 L HA -0.173 4.170 4.340 0.005 0.000 0.211 770 L C 2.382 179.266 176.870 0.023 0.000 1.089 770 L CA 0.918 55.638 54.840 -0.201 0.000 0.757 770 L CB -0.298 41.406 42.059 -0.592 0.000 0.899 770 L HN 0.197 nan 8.230 nan 0.000 0.434 771 E N 0.237 120.471 120.200 0.057 0.000 2.047 771 E HA -0.200 4.152 4.350 0.005 0.000 0.191 771 E C 2.105 178.758 176.600 0.089 0.000 0.987 771 E CA 1.183 57.656 56.400 0.123 0.000 0.799 771 E CB -0.068 29.677 29.700 0.076 0.000 0.752 771 E HN 0.540 nan 8.360 nan 0.000 0.449 772 E N 0.087 120.331 120.200 0.073 0.000 2.072 772 E HA -0.075 4.278 4.350 0.005 0.000 0.191 772 E C 2.103 178.728 176.600 0.042 0.000 0.985 772 E CA 0.662 57.102 56.400 0.066 0.000 0.801 772 E CB -0.098 29.645 29.700 0.071 0.000 0.750 772 E HN 0.194 nan 8.360 nan 0.000 0.452 773 M N 0.169 119.787 119.600 0.030 0.000 2.446 773 M HA -0.147 4.336 4.480 0.005 0.000 0.263 773 M C 2.306 178.622 176.300 0.028 0.000 1.066 773 M CA 0.991 56.301 55.300 0.017 0.000 1.087 773 M CB -0.046 32.551 32.600 -0.005 0.000 1.406 773 M HN -0.011 nan 8.290 nan 0.000 0.459 774 R N 0.161 120.691 120.500 0.050 0.000 2.100 774 R HA -0.095 4.248 4.340 0.005 0.000 0.220 774 R C 1.624 177.933 176.300 0.015 0.000 1.091 774 R CA 1.090 57.216 56.100 0.042 0.000 0.986 774 R CB 0.063 30.402 30.300 0.065 0.000 0.888 774 R HN 0.269 nan 8.270 nan 0.000 0.444 775 D N 0.777 121.192 120.400 0.024 0.000 2.117 775 D HA -0.151 4.492 4.640 0.005 0.000 0.198 775 D C 1.605 177.912 176.300 0.012 0.000 0.982 775 D CA 1.297 55.308 54.000 0.018 0.000 0.828 775 D CB 0.112 40.933 40.800 0.034 0.000 0.967 775 D HN 0.404 nan 8.370 nan 0.000 0.464 776 E N 0.818 121.026 120.200 0.014 0.000 2.038 776 E HA -0.175 4.178 4.350 0.005 0.000 0.195 776 E C 2.217 178.821 176.600 0.007 0.000 1.000 776 E CA 0.645 57.050 56.400 0.009 0.000 0.803 776 E CB -0.119 29.586 29.700 0.008 0.000 0.750 776 E HN 0.146 nan 8.360 nan 0.000 0.448 777 R N 0.766 121.270 120.500 0.006 0.000 2.066 777 R HA -0.079 4.264 4.340 0.005 0.000 0.232 777 R C 2.536 178.837 176.300 0.001 0.000 1.131 777 R CA 0.634 56.736 56.100 0.005 0.000 0.955 777 R CB -1.152 29.150 30.300 0.003 0.000 0.851 777 R HN 0.194 nan 8.270 nan 0.000 0.432 778 L N 1.011 122.230 121.223 -0.007 0.000 2.079 778 L HA -0.144 4.198 4.340 0.005 0.000 0.210 778 L C 2.390 179.259 176.870 -0.002 0.000 1.081 778 L CA 1.857 56.689 54.840 -0.015 0.000 0.752 778 L CB -0.739 41.303 42.059 -0.028 0.000 0.896 778 L HN 0.098 nan 8.230 nan 0.000 0.433 779 S N -1.078 114.624 115.700 0.003 0.000 2.345 779 S HA -0.197 4.276 4.470 0.005 0.000 0.220 779 S C 2.062 176.674 174.600 0.019 0.000 1.031 779 S CA 1.467 59.673 58.200 0.010 0.000 0.996 779 S CB -0.156 63.049 63.200 0.008 0.000 0.882 779 S HN 0.415 nan 8.310 nan 0.000 0.445 780 K N 1.344 121.755 120.400 0.017 0.000 2.057 780 K HA 0.115 4.438 4.320 0.005 0.000 0.207 780 K C 1.886 178.509 176.600 0.038 0.000 1.049 780 K CA 1.365 57.666 56.287 0.023 0.000 0.931 780 K CB -0.490 32.020 32.500 0.017 0.000 0.714 780 K HN 0.416 nan 8.250 nan 0.000 0.440 781 I N 0.286 120.876 120.570 0.034 0.000 2.226 781 I HA -0.287 3.886 4.170 0.005 0.000 0.245 781 I C 2.060 178.228 176.117 0.084 0.000 1.100 781 I CA 1.266 62.596 61.300 0.049 0.000 1.374 781 I CB -0.294 37.718 38.000 0.019 0.000 1.057 781 I HN 0.129 nan 8.210 nan 0.000 0.413 782 I N 0.159 120.768 120.570 0.065 0.000 2.179 782 I HA -0.277 3.895 4.170 0.005 0.000 0.242 782 I C 2.686 178.881 176.117 0.131 0.000 1.088 782 I CA 1.288 62.647 61.300 0.100 0.000 1.357 782 I CB -0.284 37.749 38.000 0.056 0.000 1.051 782 I HN 0.146 nan 8.210 nan 0.000 0.409 783 S N 0.523 116.270 115.700 0.080 0.000 2.374 783 S HA -0.223 4.249 4.470 0.005 0.000 0.227 783 S C 2.016 176.660 174.600 0.074 0.000 1.037 783 S CA 1.570 59.807 58.200 0.062 0.000 1.024 783 S CB -0.267 62.955 63.200 0.036 0.000 0.861 783 S HN 0.347 nan 8.310 nan 0.000 0.456 784 M N -0.416 119.240 119.600 0.093 0.000 2.159 784 M HA -0.084 4.398 4.480 0.005 0.000 0.263 784 M C 1.919 178.323 176.300 0.173 0.000 1.063 784 M CA 1.380 56.742 55.300 0.103 0.000 1.110 784 M CB -0.318 32.343 32.600 0.101 0.000 1.374 784 M HN 0.338 nan 8.290 nan 0.000 0.411 785 F N 1.071 121.055 119.950 0.056 0.000 2.325 785 F HA -0.133 4.396 4.527 0.005 0.000 0.299 785 F C 2.233 178.070 175.800 0.063 0.000 1.090 785 F CA 1.391 59.432 58.000 0.068 0.000 1.392 785 F CB -0.199 38.813 39.000 0.021 0.000 1.053 785 F HN 0.131 nan 8.300 nan 0.000 0.521 786 Q N -0.227 119.596 119.800 0.038 0.000 2.167 786 Q HA -0.098 4.244 4.340 0.005 0.000 0.202 786 Q C 2.437 178.391 176.000 -0.076 0.000 0.970 786 Q CA 1.260 57.029 55.803 -0.057 0.000 0.855 786 Q CB -0.372 28.376 28.738 0.017 0.000 0.911 786 Q HN 0.487 nan 8.270 nan 0.000 0.438 787 A N 0.157 122.962 122.820 -0.026 0.000 1.929 787 A HA -0.200 4.123 4.320 0.005 0.000 0.216 787 A C 1.636 179.208 177.584 -0.020 0.000 1.176 787 A CA 1.399 53.421 52.037 -0.024 0.000 0.628 787 A CB -0.722 18.267 19.000 -0.018 0.000 0.816 787 A HN 0.417 nan 8.150 nan 0.000 0.444 788 H N -0.687 118.309 119.070 -0.124 0.000 2.421 788 H HA -0.039 4.519 4.556 0.005 0.000 0.298 788 H C 1.833 177.070 175.328 -0.152 0.000 1.087 788 H CA 1.487 57.462 56.048 -0.122 0.000 1.330 788 H CB -0.051 29.632 29.762 -0.131 0.000 1.388 788 H HN 0.488 nan 8.280 nan 0.000 0.526 789 I N -0.206 120.284 120.570 -0.134 0.000 2.233 789 I HA -0.210 3.963 4.170 0.005 0.000 0.243 789 I C 2.486 178.594 176.117 -0.015 0.000 1.093 789 I CA 0.816 62.016 61.300 -0.167 0.000 1.380 789 I CB -0.230 37.581 38.000 -0.315 0.000 1.067 789 I HN 0.213 nan 8.210 nan 0.000 0.413 790 R N 0.750 121.233 120.500 -0.028 0.000 2.117 790 R HA -0.162 4.181 4.340 0.005 0.000 0.243 790 R C 2.309 178.628 176.300 0.033 0.000 1.143 790 R CA 1.650 57.751 56.100 0.003 0.000 0.968 790 R CB -0.674 29.619 30.300 -0.012 0.000 0.863 790 R HN 0.466 nan 8.270 nan 0.000 0.444 791 G N -0.525 108.297 108.800 0.036 0.000 2.421 791 G HA2 -0.289 3.674 3.960 0.005 0.000 0.217 791 G HA3 -0.289 3.674 3.960 0.005 0.000 0.217 791 G C 1.178 176.126 174.900 0.079 0.000 1.143 791 G CA 0.264 45.382 45.100 0.029 0.000 0.784 791 G HN 0.336 nan 8.290 nan 0.000 0.541 792 Y N 1.287 121.587 120.300 0.001 0.000 2.133 792 Y HA 0.003 4.555 4.550 0.005 0.000 0.287 792 Y C 2.568 178.463 175.900 -0.008 0.000 1.134 792 Y CA 1.139 59.239 58.100 0.001 0.000 1.133 792 Y CB -0.392 38.054 38.460 -0.023 0.000 0.987 792 Y HN 0.091 nan 8.280 nan 0.000 0.502 793 L N -0.117 121.299 121.223 0.323 0.000 1.956 793 L HA -0.319 4.024 4.340 0.005 0.000 0.216 793 L C 2.524 179.447 176.870 0.087 0.000 1.073 793 L CA 2.043 57.009 54.840 0.211 0.000 0.762 793 L CB -1.015 41.117 42.059 0.122 0.000 0.889 793 L HN 0.268 nan 8.230 nan 0.000 0.433 794 I N -0.374 120.231 120.570 0.058 0.000 2.087 794 I HA -0.366 3.807 4.170 0.005 0.000 0.240 794 I C 2.806 178.943 176.117 0.033 0.000 1.054 794 I CA 1.617 62.941 61.300 0.041 0.000 1.311 794 I CB -0.509 37.506 38.000 0.025 0.000 1.024 794 I HN 0.251 nan 8.210 nan 0.000 0.402 795 R N 0.845 121.329 120.500 -0.028 0.000 2.154 795 R HA -0.245 4.097 4.340 0.005 0.000 0.248 795 R C 2.203 178.487 176.300 -0.027 0.000 1.155 795 R CA 1.669 57.728 56.100 -0.069 0.000 0.979 795 R CB -0.274 29.938 30.300 -0.146 0.000 0.869 795 R HN 0.181 nan 8.270 nan 0.000 0.452 796 K N -0.164 120.197 120.400 -0.066 0.000 2.155 796 K HA 0.023 4.345 4.320 0.005 0.000 0.203 796 K C 1.382 177.994 176.600 0.020 0.000 1.052 796 K CA 1.568 57.822 56.287 -0.056 0.000 0.948 796 K CB 0.026 32.493 32.500 -0.055 0.000 0.728 796 K HN 0.163 nan 8.250 nan 0.000 0.448 797 A N -0.817 122.034 122.820 0.051 0.000 2.275 797 A HA 0.068 4.391 4.320 0.005 0.000 0.212 797 A C 1.617 179.247 177.584 0.077 0.000 1.201 797 A CA -0.005 52.063 52.037 0.052 0.000 0.843 797 A CB -0.638 18.390 19.000 0.047 0.000 0.873 797 A HN 0.421 nan 8.150 nan 0.000 0.492 798 Y N 1.061 121.341 120.300 -0.033 0.000 2.089 798 Y HA -0.203 4.350 4.550 0.005 0.000 0.282 798 Y C 2.341 178.224 175.900 -0.028 0.000 1.139 798 Y CA 2.278 60.359 58.100 -0.031 0.000 1.123 798 Y CB -0.140 38.297 38.460 -0.038 0.000 0.980 798 Y HN 0.244 nan 8.280 nan 0.000 0.493 799 K N 0.741 121.147 120.400 0.011 0.000 2.113 799 K HA -0.301 4.022 4.320 0.005 0.000 0.208 799 K C 2.216 178.748 176.600 -0.114 0.000 1.047 799 K CA 2.080 58.321 56.287 -0.076 0.000 0.928 799 K CB -0.303 32.194 32.500 -0.005 0.000 0.716 799 K HN 0.330 nan 8.250 nan 0.000 0.446 800 K N 0.199 120.556 120.400 -0.072 0.000 2.097 800 K HA -0.118 4.205 4.320 0.005 0.000 0.205 800 K C 2.167 178.709 176.600 -0.096 0.000 1.050 800 K CA 0.770 57.018 56.287 -0.065 0.000 0.938 800 K CB -0.013 32.468 32.500 -0.031 0.000 0.718 800 K HN -0.006 nan 8.250 nan 0.000 0.442 801 L N 1.444 122.587 121.223 -0.134 0.000 2.056 801 L HA -0.135 4.208 4.340 0.005 0.000 0.207 801 L C 2.267 179.016 176.870 -0.201 0.000 1.078 801 L CA 1.624 56.374 54.840 -0.151 0.000 0.749 801 L CB -0.474 41.494 42.059 -0.151 0.000 0.901 801 L HN 0.236 nan 8.230 nan 0.000 0.433 802 Q N -0.915 118.699 119.800 -0.310 0.000 2.135 802 Q HA -0.216 4.127 4.340 0.005 0.000 0.204 802 Q C 1.732 177.641 176.000 -0.152 0.000 0.981 802 Q CA 1.595 57.235 55.803 -0.272 0.000 0.856 802 Q CB -0.084 28.458 28.738 -0.327 0.000 0.902 802 Q HN 0.540 nan 8.270 nan 0.000 0.425 803 D N 0.401 120.726 120.400 -0.125 0.000 2.085 803 D HA -0.120 4.523 4.640 0.005 0.000 0.199 803 D C 1.761 178.019 176.300 -0.069 0.000 0.981 803 D CA 0.945 54.895 54.000 -0.082 0.000 0.834 803 D CB -0.070 40.691 40.800 -0.066 0.000 0.992 803 D HN 0.255 nan 8.370 nan 0.000 0.457 804 Q N 0.481 120.241 119.800 -0.068 0.000 2.449 804 Q HA -0.183 4.160 4.340 0.005 0.000 0.214 804 Q C 2.062 178.031 176.000 -0.052 0.000 0.986 804 Q CA 0.777 56.548 55.803 -0.054 0.000 0.893 804 Q CB 0.031 28.740 28.738 -0.048 0.000 0.940 804 Q HN 0.188 nan 8.270 nan 0.000 0.477 805 R N 0.946 121.407 120.500 -0.064 0.000 2.055 805 R HA -0.090 4.253 4.340 0.005 0.000 0.226 805 R C 2.159 178.431 176.300 -0.046 0.000 1.135 805 R CA 1.130 57.197 56.100 -0.056 0.000 0.959 805 R CB -0.130 30.130 30.300 -0.067 0.000 0.854 805 R HN 0.253 nan 8.270 nan 0.000 0.431 806 I N 0.135 120.676 120.570 -0.049 0.000 2.361 806 I HA -0.085 4.088 4.170 0.005 0.000 0.251 806 I C 2.413 178.509 176.117 -0.036 0.000 1.133 806 I CA 1.338 62.614 61.300 -0.040 0.000 1.413 806 I CB -0.945 37.032 38.000 -0.040 0.000 1.073 806 I HN 0.320 nan 8.210 nan 0.000 0.424 807 G N 2.115 110.892 108.800 -0.038 0.000 2.480 807 G HA2 -0.264 3.699 3.960 0.005 0.000 0.216 807 G HA3 -0.264 3.699 3.960 0.005 0.000 0.216 807 G C 1.652 176.533 174.900 -0.033 0.000 1.200 807 G CA 0.955 46.034 45.100 -0.035 0.000 0.782 807 G HN 0.327 nan 8.290 nan 0.000 0.554 808 L N 0.827 122.031 121.223 -0.032 0.000 2.131 808 L HA 0.063 4.406 4.340 0.005 0.000 0.210 808 L C 2.828 179.683 176.870 -0.025 0.000 1.092 808 L CA 2.271 57.094 54.840 -0.028 0.000 0.759 808 L CB -0.739 41.304 42.059 -0.026 0.000 0.903 808 L HN 0.198 nan 8.230 nan 0.000 0.435 809 S N -1.259 114.425 115.700 -0.027 0.000 2.359 809 S HA -0.182 4.291 4.470 0.005 0.000 0.224 809 S C 1.930 176.516 174.600 -0.023 0.000 1.035 809 S CA 1.529 59.715 58.200 -0.024 0.000 1.018 809 S CB -0.360 62.825 63.200 -0.026 0.000 0.876 809 S HN 0.347 nan 8.310 nan 0.000 0.448 810 V N 2.409 122.307 119.914 -0.026 0.000 2.219 810 V HA -0.248 3.875 4.120 0.005 0.000 0.248 810 V C 2.139 178.217 176.094 -0.026 0.000 1.053 810 V CA 2.240 64.525 62.300 -0.027 0.000 1.009 810 V CB -0.776 31.029 31.823 -0.030 0.000 0.636 810 V HN 0.499 nan 8.190 nan 0.000 0.445 811 I N -0.397 120.156 120.570 -0.029 0.000 2.113 811 I HA -0.418 3.754 4.170 0.005 0.000 0.242 811 I C 2.724 178.830 176.117 -0.017 0.000 1.057 811 I CA 2.120 63.402 61.300 -0.030 0.000 1.314 811 I CB -0.586 37.395 38.000 -0.032 0.000 1.022 811 I HN 0.418 nan 8.210 nan 0.000 0.408 812 Q N -0.109 119.684 119.800 -0.012 0.000 2.124 812 Q HA -0.216 4.127 4.340 0.005 0.000 0.202 812 Q C 2.395 178.395 176.000 0.001 0.000 0.977 812 Q CA 1.284 57.086 55.803 -0.002 0.000 0.850 812 Q CB -0.180 28.555 28.738 -0.006 0.000 0.901 812 Q HN 0.418 nan 8.270 nan 0.000 0.429 813 R N 0.596 121.091 120.500 -0.008 0.000 2.070 813 R HA -0.122 4.221 4.340 0.005 0.000 0.232 813 R C 1.961 178.259 176.300 -0.003 0.000 1.138 813 R CA 1.463 57.557 56.100 -0.011 0.000 0.936 813 R CB -0.041 30.249 30.300 -0.018 0.000 0.839 813 R HN 0.315 nan 8.270 nan 0.000 0.429 814 N N 0.674 119.371 118.700 -0.006 0.000 2.043 814 N HA -0.187 4.556 4.740 0.005 0.000 0.193 814 N C 1.981 177.517 175.510 0.043 0.000 1.037 814 N CA 1.532 54.582 53.050 0.001 0.000 0.851 814 N CB -0.249 38.224 38.487 -0.023 0.000 1.027 814 N HN 0.273 nan 8.380 nan 0.000 0.422 815 I N 1.322 121.919 120.570 0.044 0.000 2.423 815 I HA -0.223 3.949 4.170 0.005 0.000 0.254 815 I C 2.286 178.525 176.117 0.203 0.000 1.151 815 I CA 0.927 62.304 61.300 0.129 0.000 1.421 815 I CB -0.076 37.970 38.000 0.077 0.000 1.079 815 I HN 0.108 nan 8.210 nan 0.000 0.431 816 R N 0.064 120.620 120.500 0.092 0.000 2.153 816 R HA -0.068 4.274 4.340 0.005 0.000 0.218 816 R C 2.223 178.533 176.300 0.017 0.000 1.072 816 R CA 0.532 56.660 56.100 0.048 0.000 0.990 816 R CB -0.022 30.284 30.300 0.009 0.000 0.889 816 R HN 0.196 nan 8.270 nan 0.000 0.452 817 K N 0.223 120.640 120.400 0.027 0.000 2.007 817 K HA -0.160 4.163 4.320 0.005 0.000 0.206 817 K C 1.678 178.265 176.600 -0.022 0.000 1.047 817 K CA 1.092 57.364 56.287 -0.025 0.000 0.937 817 K CB -0.457 32.027 32.500 -0.027 0.000 0.718 817 K HN 0.252 nan 8.250 nan 0.000 0.438 818 W N 1.823 123.031 121.300 -0.153 0.000 2.364 818 W HA -0.162 4.501 4.660 0.005 0.000 0.281 818 W C 1.653 178.079 176.519 -0.156 0.000 1.219 818 W CA 1.076 58.310 57.345 -0.184 0.000 1.220 818 W CB -0.312 29.067 29.460 -0.135 0.000 1.127 818 W HN 0.059 nan 8.180 nan 0.000 0.556 819 L N -0.213 120.875 121.223 -0.225 0.000 2.179 819 L HA -0.116 4.226 4.340 0.005 0.000 0.208 819 L C 2.167 178.847 176.870 -0.317 0.000 1.096 819 L CA 1.014 55.581 54.840 -0.455 0.000 0.779 819 L CB -0.450 41.504 42.059 -0.176 0.000 0.922 819 L HN -0.085 nan 8.230 nan 0.000 0.443 820 V N -0.367 119.422 119.914 -0.208 0.000 2.346 820 V HA -0.262 3.861 4.120 0.005 0.000 0.244 820 V C 2.346 178.332 176.094 -0.180 0.000 1.037 820 V CA 1.325 63.524 62.300 -0.167 0.000 1.029 820 V CB -0.221 31.511 31.823 -0.153 0.000 0.663 820 V HN 0.333 nan 8.190 nan 0.000 0.454 821 L N -0.128 120.935 121.223 -0.268 0.000 1.971 821 L HA -0.229 4.114 4.340 0.005 0.000 0.215 821 L C 2.786 179.503 176.870 -0.256 0.000 1.072 821 L CA 1.909 56.542 54.840 -0.345 0.000 0.758 821 L CB -0.530 41.154 42.059 -0.625 0.000 0.889 821 L HN 0.262 nan 8.230 nan 0.000 0.433 822 R N -0.295 119.971 120.500 -0.389 0.000 2.355 822 R HA -0.120 4.223 4.340 0.005 0.000 0.219 822 R C 1.116 177.357 176.300 -0.099 0.000 1.107 822 R CA 0.590 56.537 56.100 -0.255 0.000 1.021 822 R CB -0.290 29.718 30.300 -0.487 0.000 0.852 822 R HN 0.495 nan 8.270 nan 0.000 0.475 823 N N -0.969 117.687 118.700 -0.073 0.000 2.205 823 N HA -0.048 4.695 4.740 0.005 0.000 0.201 823 N C -0.669 174.915 175.510 0.123 0.000 1.128 823 N CA -0.024 53.021 53.050 -0.008 0.000 0.867 823 N CB 0.320 38.772 38.487 -0.057 0.000 0.996 823 N HN 0.099 nan 8.380 nan 0.000 0.503 824 W N 3.340 124.621 121.300 -0.032 0.000 2.388 824 W HA 0.204 4.867 4.660 0.005 0.000 0.308 824 W C 1.325 177.864 176.519 0.033 0.000 1.263 824 W CA -0.450 56.903 57.345 0.014 0.000 1.286 824 W CB 0.629 30.146 29.460 0.096 0.000 1.294 824 W HN -0.020 nan 8.180 nan 0.000 0.493 825 Q N 3.135 122.779 119.800 -0.261 0.000 2.290 825 Q HA -0.264 4.078 4.340 0.005 0.000 0.211 825 Q C 1.556 177.249 176.000 -0.512 0.000 0.991 825 Q CA 2.077 57.608 55.803 -0.453 0.000 0.893 825 Q CB -0.345 27.995 28.738 -0.664 0.000 0.913 825 Q HN 0.824 nan 8.270 nan 0.000 0.428 826 W N -1.965 118.947 121.300 -0.647 0.000 2.576 826 W HA -0.098 4.565 4.660 0.005 0.000 0.270 826 W C 1.832 178.237 176.519 -0.190 0.000 1.255 826 W CA -0.680 56.316 57.345 -0.582 0.000 1.314 826 W CB -0.402 28.349 29.460 -1.182 0.000 1.101 826 W HN 0.171 nan 8.180 nan 0.000 0.595 827 W N 1.134 122.494 121.300 0.100 0.000 2.407 827 W HA -0.100 4.563 4.660 0.005 0.000 0.305 827 W C 2.546 179.188 176.519 0.205 0.000 1.196 827 W CA 1.262 58.752 57.345 0.241 0.000 1.311 827 W CB -0.414 29.216 29.460 0.285 0.000 1.135 827 W HN -0.385 nan 8.180 nan 0.000 0.514 828 K N 0.240 120.837 120.400 0.329 0.000 2.152 828 K HA -0.175 4.147 4.320 0.005 0.000 0.206 828 K C 1.714 178.381 176.600 0.112 0.000 1.048 828 K CA 1.374 57.782 56.287 0.202 0.000 0.933 828 K CB -0.536 32.030 32.500 0.111 0.000 0.721 828 K HN 0.282 nan 8.250 nan 0.000 0.447 829 L N -0.877 120.402 121.223 0.093 0.000 2.202 829 L HA -0.101 4.242 4.340 0.005 0.000 0.205 829 L C 2.390 179.275 176.870 0.026 0.000 1.083 829 L CA 0.537 55.411 54.840 0.056 0.000 0.790 829 L CB -0.582 41.526 42.059 0.082 0.000 0.942 829 L HN 0.125 nan 8.230 nan 0.000 0.452 830 Y N 1.447 121.682 120.300 -0.108 0.000 2.274 830 Y HA -0.247 4.306 4.550 0.005 0.000 0.290 830 Y C 2.481 178.208 175.900 -0.288 0.000 1.145 830 Y CA 1.626 59.586 58.100 -0.234 0.000 1.203 830 Y CB -0.024 38.198 38.460 -0.397 0.000 0.984 830 Y HN 0.200 nan 8.280 nan 0.000 0.533 831 S N -0.785 114.829 115.700 -0.144 0.000 2.539 831 S HA 0.068 4.541 4.470 0.005 0.000 0.221 831 S C 1.369 175.933 174.600 -0.061 0.000 0.987 831 S CA 0.004 58.104 58.200 -0.167 0.000 0.929 831 S CB -0.163 62.991 63.200 -0.077 0.000 0.832 831 S HN 0.599 nan 8.310 nan 0.000 0.492 832 K N 0.948 121.328 120.400 -0.034 0.000 2.374 832 K HA 0.327 4.650 4.320 0.005 0.000 0.196 832 K C 0.421 176.989 176.600 -0.053 0.000 1.023 832 K CA 0.144 56.425 56.287 -0.011 0.000 1.103 832 K CB 0.283 32.791 32.500 0.014 0.000 0.848 832 K HN 0.205 nan 8.250 nan 0.000 0.528 833 V N 1.604 121.450 119.914 -0.113 0.000 3.342 833 V HA 0.119 4.242 4.120 0.005 0.000 0.322 833 V C 0.964 176.952 176.094 -0.177 0.000 1.370 833 V CA 0.123 62.339 62.300 -0.141 0.000 1.170 833 V CB 0.222 31.935 31.823 -0.184 0.000 1.101 833 V HN 0.264 nan 8.190 nan 0.000 0.442 834 K N 0.382 120.694 120.400 -0.146 0.000 2.214 834 K HA 0.164 4.487 4.320 0.005 0.000 0.201 834 K C -0.516 176.041 176.600 -0.072 0.000 1.049 834 K CA 0.307 56.515 56.287 -0.132 0.000 0.978 834 K CB -1.355 31.076 32.500 -0.116 0.000 0.842 834 K HN 0.270 nan 8.250 nan 0.000 0.474 835 P HA -0.171 nan 4.420 nan 0.000 0.238 835 P C 0.749 178.035 177.300 -0.024 0.000 1.168 835 P CA 0.978 64.063 63.100 -0.024 0.000 0.768 835 P CB -0.580 31.110 31.700 -0.016 0.000 0.834 836 L N -4.369 116.834 121.223 -0.034 0.000 2.378 836 L HA 0.441 4.783 4.340 0.005 0.000 0.195 836 L C 1.041 177.899 176.870 -0.020 0.000 1.287 836 L CA 0.061 54.885 54.840 -0.027 0.000 1.364 836 L CB -0.676 41.362 42.059 -0.035 0.000 1.310 836 L HN -0.156 nan 8.230 nan 0.000 0.732 837 L N 0.000 121.209 121.223 -0.023 0.000 2.949 837 L HA 0.000 4.343 4.340 0.005 0.000 0.249 837 L CA 0.000 54.831 54.840 -0.016 0.000 0.813 837 L CB 0.000 42.053 42.059 -0.009 0.000 0.961 837 L HN 0.000 nan 8.230 nan 0.000 0.502