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 2oov_1_E DATA FIRST_RESID 18 DATA SEQUENCE PARPAHPLDP LSTAEIKAAT NTVKSYFAGK KISFNTVTLR EPARKAYIQW DATA SEQUENCE KEQGGPLPPR LAYYVILEAG KPGVKEGLVD LASLSVIETR ALETVQPILT DATA SEQUENCE VEDLCSTEEV IRNDPAVIEQ CVLSGIPANE MHKVYCDPWT IGYDERWGTG DATA SEQUENCE KRLQQALVYY RSDEDDSQYS HPLDFCPIVD TEEKKVIFID IPNRRRKVSK DATA SEQUENCE HKHANFYPKH MIEKVGAMRP EAPPINVTQP EGVSFKMTGN VMEWSNFKFH DATA SEQUENCE IGFNYREGIV LSDVSYNDHG NVRPIFHRIS LSEMIVPYGS PEFPHQRKHA DATA SEQUENCE LDIGEYGAGY MTNPLSLGCD cKGVIHYLDA HFSDRAGDPI TVKNAVcIHE DATA SEQUENCE EDDGLLFKHS DFRDNFATSL VTRATKLVVS QIFTAANXEY CLYWVFMQDG DATA SEQUENCE AIRLDIRLTG ILNTYILGDD EEAGPWGTRV YPNVNAHNHQ HLFSLRIDPR DATA SEQUENCE IDGDGNSAAA CDAKSSPYPL GSPENMYGNA FYSEKTTFKT VKDSLTNYES DATA SEQUENCE ATGRSWDIFN PNKVNPYSGK PPSYKLVSTQ CPPLLAKEGS LVAKRAPWAS DATA SEQUENCE HSVNVVPYKD NRLYPSGDHV PQWSGDGVRG MREWIGDGSE NIDNTDILFF DATA SEQUENCE HTFGITHFPA PEDFPLMPAE PITLMLRPRH FFTENPGLDI QPSYAMTTSE DATA SEQUENCE AKRAV 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 18 P HA 0.000 nan 4.420 nan 0.000 0.216 18 P C 0.000 177.300 177.300 0.001 0.000 1.155 18 P CA 0.000 63.098 63.100 -0.004 0.000 0.800 18 P CB 0.000 31.697 31.700 -0.006 0.000 0.726 19 A N 2.243 125.064 122.820 0.001 0.000 2.531 19 A HA 0.347 4.665 4.320 -0.003 0.000 0.236 19 A C 0.541 178.130 177.584 0.008 0.000 1.062 19 A CA 0.045 52.085 52.037 0.006 0.000 0.760 19 A CB -0.013 18.991 19.000 0.007 0.000 0.995 19 A HN 0.519 nan 8.150 nan 0.000 0.501 20 R N 1.819 122.324 120.500 0.010 0.000 2.643 20 R HA 0.318 4.656 4.340 -0.003 0.000 0.270 20 R C -1.813 174.500 176.300 0.021 0.000 1.061 20 R CA -0.731 55.374 56.100 0.008 0.000 1.107 20 R CB 0.050 30.351 30.300 0.001 0.000 0.999 20 R HN 0.674 nan 8.270 nan 0.000 0.460 21 P HA 0.067 nan 4.420 nan 0.000 0.275 21 P C -0.352 176.991 177.300 0.071 0.000 1.266 21 P CA -0.276 62.857 63.100 0.055 0.000 0.793 21 P CB 0.781 32.523 31.700 0.069 0.000 1.074 22 A N -0.298 122.590 122.820 0.114 0.000 2.015 22 A HA -0.102 4.217 4.320 -0.003 0.000 0.219 22 A C 0.954 178.663 177.584 0.208 0.000 1.163 22 A CA 1.463 53.590 52.037 0.150 0.000 0.646 22 A CB -1.041 18.056 19.000 0.163 0.000 0.806 22 A HN 0.807 nan 8.150 nan 0.000 0.448 23 H N -3.009 116.104 119.070 0.072 0.000 3.029 23 H HA 0.392 4.946 4.556 -0.003 0.000 0.358 23 H C -2.565 172.704 175.328 -0.097 0.000 1.129 23 H CA -1.457 54.620 56.048 0.049 0.000 1.230 23 H CB 1.866 31.747 29.762 0.199 0.000 1.827 23 H HN -0.129 nan 8.280 nan 0.000 0.530 24 P HA -0.117 nan 4.420 nan 0.000 0.221 24 P C 0.774 178.062 177.300 -0.019 0.000 1.145 24 P CA 1.174 64.124 63.100 -0.250 0.000 0.795 24 P CB 0.291 31.697 31.700 -0.491 0.000 0.775 25 L N -1.887 119.423 121.223 0.144 0.000 2.592 25 L HA 0.127 4.465 4.340 -0.003 0.000 0.227 25 L C 0.260 177.066 176.870 -0.107 0.000 1.127 25 L CA -0.176 54.548 54.840 -0.194 0.000 0.884 25 L CB -0.559 41.103 42.059 -0.661 0.000 1.065 25 L HN -0.134 nan 8.230 nan 0.000 0.457 26 D N 1.802 122.284 120.400 0.137 0.000 2.455 26 D HA 0.104 4.742 4.640 -0.003 0.000 0.241 26 D C -2.007 174.399 176.300 0.177 0.000 1.138 26 D CA -0.991 53.163 54.000 0.257 0.000 0.877 26 D CB 0.577 41.512 40.800 0.225 0.000 1.187 26 D HN -0.063 nan 8.370 nan 0.000 0.451 27 P HA 0.013 nan 4.420 nan 0.000 0.270 27 P C 0.027 177.422 177.300 0.158 0.000 1.227 27 P CA -0.247 62.966 63.100 0.188 0.000 0.788 27 P CB 0.505 32.338 31.700 0.221 0.000 0.926 28 L N 0.659 121.973 121.223 0.152 0.000 2.490 28 L HA 0.044 4.382 4.340 -0.003 0.000 0.274 28 L C 1.270 178.193 176.870 0.089 0.000 1.201 28 L CA 0.058 54.965 54.840 0.111 0.000 0.869 28 L CB -0.229 41.896 42.059 0.111 0.000 1.123 28 L HN 0.497 nan 8.230 nan 0.000 0.484 29 S N 0.264 115.979 115.700 0.025 0.000 2.608 29 S HA 0.089 4.558 4.470 -0.003 0.000 0.261 29 S C 1.345 175.860 174.600 -0.143 0.000 1.314 29 S CA -0.188 57.966 58.200 -0.076 0.000 0.992 29 S CB 1.267 64.430 63.200 -0.060 0.000 0.935 29 S HN 0.784 nan 8.310 nan 0.000 0.564 30 T N -0.985 113.384 114.554 -0.308 0.000 2.720 30 T HA -0.135 4.213 4.350 -0.003 0.000 0.268 30 T C 1.986 176.616 174.700 -0.117 0.000 1.037 30 T CA 1.250 63.214 62.100 -0.226 0.000 1.144 30 T CB -1.177 67.527 68.868 -0.273 0.000 0.864 30 T HN 0.919 nan 8.240 nan 0.000 0.444 31 A N 1.833 124.592 122.820 -0.102 0.000 1.902 31 A HA -0.096 4.222 4.320 -0.003 0.000 0.217 31 A C 2.331 179.888 177.584 -0.045 0.000 1.181 31 A CA 1.688 53.688 52.037 -0.063 0.000 0.623 31 A CB -0.721 18.250 19.000 -0.048 0.000 0.818 31 A HN 0.676 nan 8.150 nan 0.000 0.443 32 E N -0.429 119.750 120.200 -0.035 0.000 2.106 32 E HA -0.128 4.220 4.350 -0.003 0.000 0.192 32 E C 1.870 178.462 176.600 -0.014 0.000 0.984 32 E CA 1.090 57.483 56.400 -0.012 0.000 0.806 32 E CB -0.266 29.440 29.700 0.010 0.000 0.750 32 E HN 0.702 nan 8.360 nan 0.000 0.458 33 I N 1.056 121.614 120.570 -0.021 0.000 2.179 33 I HA -0.285 3.884 4.170 -0.003 0.000 0.242 33 I C 2.457 178.522 176.117 -0.086 0.000 1.088 33 I CA 1.042 62.324 61.300 -0.029 0.000 1.357 33 I CB -0.130 37.866 38.000 -0.007 0.000 1.051 33 I HN -0.022 nan 8.210 nan 0.000 0.409 34 K N 1.493 121.842 120.400 -0.085 0.000 2.057 34 K HA -0.102 4.216 4.320 -0.003 0.000 0.207 34 K C 2.026 178.571 176.600 -0.092 0.000 1.049 34 K CA 1.679 57.904 56.287 -0.103 0.000 0.931 34 K CB -0.436 32.019 32.500 -0.076 0.000 0.714 34 K HN 0.284 nan 8.250 nan 0.000 0.440 35 A N 0.424 123.209 122.820 -0.058 0.000 1.933 35 A HA -0.064 4.254 4.320 -0.003 0.000 0.218 35 A C 2.355 179.915 177.584 -0.040 0.000 1.175 35 A CA 2.049 54.063 52.037 -0.038 0.000 0.628 35 A CB -1.005 17.983 19.000 -0.020 0.000 0.814 35 A HN 0.413 nan 8.150 nan 0.000 0.444 36 A N -0.281 122.511 122.820 -0.047 0.000 1.873 36 A HA -0.087 4.231 4.320 -0.003 0.000 0.215 36 A C 2.474 180.001 177.584 -0.096 0.000 1.186 36 A CA 2.533 54.548 52.037 -0.036 0.000 0.616 36 A CB -1.379 17.624 19.000 0.005 0.000 0.823 36 A HN 0.765 nan 8.150 nan 0.000 0.442 37 T N -1.927 112.487 114.554 -0.234 0.000 2.821 37 T HA -0.142 4.207 4.350 -0.003 0.000 0.267 37 T C 1.679 176.293 174.700 -0.144 0.000 1.046 37 T CA 1.391 63.209 62.100 -0.470 0.000 1.139 37 T CB -0.585 67.683 68.868 -1.000 0.000 0.871 37 T HN 0.349 nan 8.240 nan 0.000 0.454 38 N N 1.518 120.160 118.700 -0.096 0.000 2.061 38 N HA -0.083 4.655 4.740 -0.003 0.000 0.193 38 N C 2.086 177.614 175.510 0.029 0.000 1.030 38 N CA 1.966 55.007 53.050 -0.016 0.000 0.856 38 N CB -1.120 37.354 38.487 -0.022 0.000 1.023 38 N HN 0.515 nan 8.380 nan 0.000 0.424 39 T N 0.764 115.325 114.554 0.013 0.000 2.746 39 T HA -0.044 4.304 4.350 -0.003 0.000 0.267 39 T C 2.145 176.878 174.700 0.054 0.000 1.039 39 T CA 0.910 63.026 62.100 0.027 0.000 1.142 39 T CB -0.335 68.537 68.868 0.006 0.000 0.866 39 T HN -0.018 nan 8.240 nan 0.000 0.444 40 V N 1.479 121.421 119.914 0.047 0.000 2.307 40 V HA -0.155 3.963 4.120 -0.003 0.000 0.245 40 V C 2.498 178.762 176.094 0.284 0.000 1.045 40 V CA 1.503 63.849 62.300 0.077 0.000 1.024 40 V CB -0.471 31.317 31.823 -0.058 0.000 0.651 40 V HN 0.456 nan 8.190 nan 0.000 0.449 41 K N 0.088 120.667 120.400 0.297 0.000 2.074 41 K HA -0.182 4.136 4.320 -0.003 0.000 0.209 41 K C 2.415 179.122 176.600 0.179 0.000 1.048 41 K CA 1.869 58.309 56.287 0.254 0.000 0.926 41 K CB -0.366 32.263 32.500 0.216 0.000 0.713 41 K HN 0.389 nan 8.250 nan 0.000 0.444 42 S N 0.371 116.148 115.700 0.128 0.000 2.368 42 S HA -0.168 4.300 4.470 -0.003 0.000 0.225 42 S C 1.736 176.367 174.600 0.053 0.000 1.030 42 S CA 1.055 59.301 58.200 0.077 0.000 0.999 42 S CB -0.358 62.877 63.200 0.058 0.000 0.844 42 S HN 0.342 nan 8.310 nan 0.000 0.459 43 Y N 1.074 121.324 120.300 -0.083 0.000 2.224 43 Y HA -0.038 4.510 4.550 -0.003 0.000 0.289 43 Y C 0.661 176.323 175.900 -0.396 0.000 1.146 43 Y CA 1.218 59.163 58.100 -0.259 0.000 1.182 43 Y CB -0.140 38.100 38.460 -0.366 0.000 0.983 43 Y HN 0.178 nan 8.280 nan 0.000 0.524 44 F N 1.163 121.166 119.950 0.088 0.000 2.974 44 F HA 0.416 4.941 4.527 -0.003 0.000 0.292 44 F C 0.861 176.646 175.800 -0.023 0.000 1.209 44 F CA -0.406 57.596 58.000 0.004 0.000 1.366 44 F CB -0.884 38.137 39.000 0.035 0.000 1.033 44 F HN 0.007 nan 8.300 nan 0.000 0.516 45 A N 0.289 123.131 122.820 0.038 0.000 2.566 45 A HA 0.383 4.701 4.320 -0.003 0.000 0.245 45 A C 1.561 179.165 177.584 0.033 0.000 1.056 45 A CA 0.868 52.922 52.037 0.029 0.000 0.757 45 A CB -0.575 18.414 19.000 -0.018 0.000 0.979 45 A HN 1.142 nan 8.150 nan 0.000 0.508 46 G N 1.782 110.606 108.800 0.039 0.000 2.176 46 G HA2 -0.206 3.752 3.960 -0.003 0.000 0.253 46 G HA3 -0.206 3.752 3.960 -0.003 0.000 0.253 46 G C 0.220 175.141 174.900 0.036 0.000 0.979 46 G CA 0.592 45.709 45.100 0.028 0.000 0.641 46 G HN 0.789 nan 8.290 nan 0.000 0.530 47 K N 0.290 120.726 120.400 0.061 0.000 2.138 47 K HA 0.458 4.777 4.320 -0.003 0.000 0.263 47 K C -0.136 176.473 176.600 0.014 0.000 0.965 47 K CA -0.824 55.491 56.287 0.046 0.000 0.868 47 K CB 1.966 34.520 32.500 0.089 0.000 1.083 47 K HN 0.173 nan 8.250 nan 0.000 0.443 48 K N 3.852 124.242 120.400 -0.017 0.000 2.250 48 K HA 0.214 4.532 4.320 -0.003 0.000 0.280 48 K C -0.121 176.428 176.600 -0.086 0.000 1.098 48 K CA -0.251 56.016 56.287 -0.033 0.000 0.916 48 K CB -0.126 32.359 32.500 -0.026 0.000 1.209 48 K HN 0.577 nan 8.250 nan 0.000 0.461 49 I N 0.096 120.598 120.570 -0.114 0.000 2.797 49 I HA 0.611 4.779 4.170 -0.003 0.000 0.307 49 I C -0.655 175.328 176.117 -0.223 0.000 1.033 49 I CA -0.802 60.355 61.300 -0.238 0.000 1.071 49 I CB 2.278 40.037 38.000 -0.402 0.000 1.255 49 I HN 0.440 nan 8.210 nan 0.000 0.445 50 S N 2.914 118.440 115.700 -0.291 0.000 2.548 50 S HA 0.670 5.138 4.470 -0.003 0.000 0.286 50 S C -1.052 173.363 174.600 -0.308 0.000 1.098 50 S CA -0.647 57.445 58.200 -0.180 0.000 0.930 50 S CB 1.299 64.458 63.200 -0.069 0.000 1.070 50 S HN 0.499 nan 8.310 nan 0.000 0.480 51 F N 2.926 122.855 119.950 -0.034 0.000 2.411 51 F HA 0.454 4.979 4.527 -0.003 0.000 0.350 51 F C 1.780 177.567 175.800 -0.021 0.000 1.114 51 F CA -0.542 57.445 58.000 -0.023 0.000 1.135 51 F CB 1.188 40.183 39.000 -0.009 0.000 1.120 51 F HN 0.844 nan 8.300 nan 0.000 0.495 52 N N 1.037 119.795 118.700 0.096 0.000 2.499 52 N HA 0.016 4.754 4.740 -0.003 0.000 0.182 52 N C -0.352 175.209 175.510 0.086 0.000 1.034 52 N CA 0.720 53.805 53.050 0.059 0.000 0.882 52 N CB 0.610 39.105 38.487 0.014 0.000 1.125 52 N HN 0.540 nan 8.380 nan 0.000 0.436 53 T N 0.827 115.406 114.554 0.041 0.000 2.971 53 T HA 0.472 4.820 4.350 -0.003 0.000 0.304 53 T C -1.317 173.368 174.700 -0.027 0.000 1.038 53 T CA -0.475 61.553 62.100 -0.119 0.000 1.007 53 T CB 2.595 71.239 68.868 -0.373 0.000 1.055 53 T HN -0.132 nan 8.240 nan 0.000 0.451 54 V N 2.806 122.728 119.914 0.012 0.000 2.488 54 V HA 0.772 4.890 4.120 -0.003 0.000 0.293 54 V C -0.151 176.005 176.094 0.104 0.000 1.027 54 V CA -0.499 61.852 62.300 0.085 0.000 0.862 54 V CB 1.682 33.560 31.823 0.092 0.000 1.008 54 V HN 0.971 nan 8.190 nan 0.000 0.428 55 T N 4.035 118.675 114.554 0.144 0.000 2.868 55 T HA 0.586 4.934 4.350 -0.003 0.000 0.306 55 T C -1.157 173.683 174.700 0.233 0.000 1.224 55 T CA -0.530 61.699 62.100 0.214 0.000 1.012 55 T CB 1.607 70.631 68.868 0.261 0.000 1.221 55 T HN 0.575 nan 8.240 nan 0.000 0.499 56 L N 3.267 124.616 121.223 0.210 0.000 2.540 56 L HA 0.474 4.812 4.340 -0.003 0.000 0.276 56 L C 0.288 177.254 176.870 0.161 0.000 1.212 56 L CA 0.240 55.178 54.840 0.163 0.000 0.893 56 L CB 0.300 42.439 42.059 0.132 0.000 1.138 56 L HN 0.606 nan 8.230 nan 0.000 0.491 57 R N 4.529 125.110 120.500 0.134 0.000 2.204 57 R HA 0.289 4.627 4.340 -0.003 0.000 0.341 57 R C -0.493 175.834 176.300 0.045 0.000 1.035 57 R CA -0.103 56.048 56.100 0.085 0.000 0.887 57 R CB -0.009 30.349 30.300 0.097 0.000 1.114 57 R HN 0.745 nan 8.270 nan 0.000 0.473 58 E N 5.614 125.825 120.200 0.018 0.000 2.415 58 E HA 0.093 4.442 4.350 -0.003 0.000 0.262 58 E C -1.853 174.755 176.600 0.014 0.000 1.038 58 E CA -1.413 54.986 56.400 -0.000 0.000 0.921 58 E CB 0.322 30.002 29.700 -0.032 0.000 0.950 58 E HN 0.558 nan 8.360 nan 0.000 0.438 59 P HA 0.001 nan 4.420 nan 0.000 0.270 59 P C -0.916 176.435 177.300 0.085 0.000 1.223 59 P CA -0.252 62.880 63.100 0.053 0.000 0.785 59 P CB 0.503 32.249 31.700 0.076 0.000 0.923 60 A N 2.198 125.066 122.820 0.082 0.000 2.531 60 A HA -0.044 4.274 4.320 -0.003 0.000 0.236 60 A C 1.845 179.498 177.584 0.115 0.000 1.062 60 A CA 0.016 52.110 52.037 0.094 0.000 0.760 60 A CB -0.423 18.619 19.000 0.070 0.000 0.995 60 A HN 0.687 nan 8.150 nan 0.000 0.501 61 R N 1.414 121.965 120.500 0.085 0.000 2.096 61 R HA -0.187 4.151 4.340 -0.003 0.000 0.240 61 R C 1.730 177.988 176.300 -0.069 0.000 1.139 61 R CA 2.298 58.338 56.100 -0.100 0.000 0.952 61 R CB -0.218 29.821 30.300 -0.436 0.000 0.854 61 R HN 0.841 nan 8.270 nan 0.000 0.436 62 K N -0.477 119.902 120.400 -0.034 0.000 2.097 62 K HA -0.065 4.253 4.320 -0.003 0.000 0.205 62 K C 2.073 178.699 176.600 0.044 0.000 1.050 62 K CA 1.192 57.471 56.287 -0.014 0.000 0.938 62 K CB -0.072 32.424 32.500 -0.007 0.000 0.718 62 K HN 0.247 nan 8.250 nan 0.000 0.442 63 A N 0.634 123.498 122.820 0.074 0.000 1.898 63 A HA -0.201 4.117 4.320 -0.003 0.000 0.216 63 A C 2.042 179.712 177.584 0.143 0.000 1.181 63 A CA 1.218 53.309 52.037 0.090 0.000 0.620 63 A CB -0.698 18.347 19.000 0.075 0.000 0.819 63 A HN 0.414 nan 8.150 nan 0.000 0.442 64 Y N 0.427 120.779 120.300 0.088 0.000 2.145 64 Y HA -0.166 4.382 4.550 -0.003 0.000 0.286 64 Y C 2.010 178.053 175.900 0.239 0.000 1.145 64 Y CA 1.888 60.092 58.100 0.175 0.000 1.148 64 Y CB -0.236 38.339 38.460 0.192 0.000 0.981 64 Y HN 0.254 nan 8.280 nan 0.000 0.507 65 I N 0.160 120.849 120.570 0.199 0.000 2.226 65 I HA -0.347 3.821 4.170 -0.003 0.000 0.245 65 I C 2.350 178.456 176.117 -0.019 0.000 1.100 65 I CA 1.597 62.948 61.300 0.084 0.000 1.374 65 I CB -0.481 37.551 38.000 0.055 0.000 1.057 65 I HN 0.350 nan 8.210 nan 0.000 0.413 66 Q N -0.469 119.336 119.800 0.009 0.000 2.124 66 Q HA -0.267 4.071 4.340 -0.003 0.000 0.202 66 Q C 2.001 177.988 176.000 -0.022 0.000 0.977 66 Q CA 2.061 57.860 55.803 -0.007 0.000 0.850 66 Q CB -0.306 28.443 28.738 0.019 0.000 0.901 66 Q HN 0.633 nan 8.270 nan 0.000 0.429 67 W N 1.779 122.969 121.300 -0.184 0.000 2.355 67 W HA -0.165 4.493 4.660 -0.003 0.000 0.309 67 W C 2.034 178.395 176.519 -0.264 0.000 1.206 67 W CA 1.279 58.493 57.345 -0.220 0.000 1.284 67 W CB -0.047 29.254 29.460 -0.265 0.000 1.145 67 W HN -0.144 nan 8.180 nan 0.000 0.502 68 K N 0.145 120.238 120.400 -0.512 0.000 2.057 68 K HA -0.162 4.157 4.320 -0.003 0.000 0.206 68 K C 1.361 177.669 176.600 -0.488 0.000 1.050 68 K CA 1.964 57.794 56.287 -0.761 0.000 0.935 68 K CB -0.106 32.120 32.500 -0.457 0.000 0.715 68 K HN 0.346 nan 8.250 nan 0.000 0.439 69 E N -1.326 118.703 120.200 -0.286 0.000 2.541 69 E HA 0.046 4.395 4.350 -0.003 0.000 0.219 69 E C 0.621 177.133 176.600 -0.146 0.000 0.922 69 E CA -0.018 56.275 56.400 -0.179 0.000 1.095 69 E CB 0.911 30.555 29.700 -0.094 0.000 1.112 69 E HN 0.205 nan 8.360 nan 0.000 0.516 70 Q N -0.163 119.549 119.800 -0.147 0.000 2.112 70 Q HA 0.194 4.533 4.340 -0.003 0.000 0.222 70 Q C 0.361 176.299 176.000 -0.103 0.000 0.798 70 Q CA 0.175 55.918 55.803 -0.100 0.000 1.060 70 Q CB 1.732 30.433 28.738 -0.062 0.000 1.184 70 Q HN 0.307 nan 8.270 nan 0.000 0.475 71 G N 1.051 109.755 108.800 -0.161 0.000 2.225 71 G HA2 -0.280 3.678 3.960 -0.003 0.000 0.267 71 G HA3 -0.280 3.678 3.960 -0.003 0.000 0.267 71 G C 0.424 175.281 174.900 -0.070 0.000 1.024 71 G CA 0.049 45.064 45.100 -0.142 0.000 0.784 71 G HN 0.478 nan 8.290 nan 0.000 0.507 72 G N -0.040 108.733 108.800 -0.044 0.000 2.634 72 G HA2 0.613 4.571 3.960 -0.003 0.000 0.255 72 G HA3 0.613 4.571 3.960 -0.003 0.000 0.255 72 G C -1.256 173.726 174.900 0.137 0.000 1.205 72 G CA -0.389 44.736 45.100 0.043 0.000 0.884 72 G HN 0.315 nan 8.290 nan 0.000 0.549 73 P HA 0.096 nan 4.420 nan 0.000 0.269 73 P C -0.220 177.182 177.300 0.170 0.000 1.209 73 P CA -0.631 62.547 63.100 0.130 0.000 0.776 73 P CB 0.923 32.662 31.700 0.064 0.000 0.876 74 L N 5.334 126.624 121.223 0.111 0.000 2.513 74 L HA 0.194 4.532 4.340 -0.003 0.000 0.272 74 L C -2.047 174.729 176.870 -0.156 0.000 1.187 74 L CA -1.332 53.411 54.840 -0.162 0.000 0.895 74 L CB -1.016 40.968 42.059 -0.125 0.000 1.147 74 L HN 0.297 nan 8.230 nan 0.000 0.483 75 P HA 0.179 nan 4.420 nan 0.000 0.269 75 P C -2.534 174.708 177.300 -0.097 0.000 1.215 75 P CA -0.854 62.178 63.100 -0.114 0.000 0.780 75 P CB -0.337 31.303 31.700 -0.100 0.000 0.898 76 P HA 0.154 nan 4.420 nan 0.000 0.271 76 P C -0.361 176.924 177.300 -0.024 0.000 1.216 76 P CA -0.180 62.904 63.100 -0.027 0.000 0.776 76 P CB 0.545 32.243 31.700 -0.003 0.000 0.881 77 R N 2.732 123.221 120.500 -0.018 0.000 2.242 77 R HA 0.371 4.709 4.340 -0.003 0.000 0.334 77 R C -0.532 175.783 176.300 0.025 0.000 1.071 77 R CA 0.102 56.200 56.100 -0.003 0.000 0.922 77 R CB -0.804 29.494 30.300 -0.003 0.000 1.023 77 R HN 0.455 nan 8.270 nan 0.000 0.458 78 L N 2.972 124.220 121.223 0.042 0.000 2.362 78 L HA 0.746 5.084 4.340 -0.003 0.000 0.271 78 L C -0.374 176.558 176.870 0.104 0.000 1.002 78 L CA -1.283 53.599 54.840 0.070 0.000 0.818 78 L CB 2.202 44.302 42.059 0.068 0.000 1.298 78 L HN 0.666 nan 8.230 nan 0.000 0.420 79 A N 1.947 124.849 122.820 0.136 0.000 2.318 79 A HA 0.568 4.887 4.320 -0.003 0.000 0.324 79 A C -1.534 176.206 177.584 0.260 0.000 1.170 79 A CA -0.375 51.772 52.037 0.183 0.000 0.810 79 A CB 0.953 20.048 19.000 0.158 0.000 1.198 79 A HN 0.594 nan 8.150 nan 0.000 0.484 80 Y N 3.289 123.662 120.300 0.121 0.000 2.320 80 Y HA 0.573 5.121 4.550 -0.003 0.000 0.334 80 Y C -0.797 175.185 175.900 0.138 0.000 1.055 80 Y CA -0.946 57.199 58.100 0.075 0.000 1.143 80 Y CB 0.722 39.210 38.460 0.046 0.000 1.193 80 Y HN 0.696 nan 8.280 nan 0.000 0.477 81 Y N 3.388 123.408 120.300 -0.467 0.000 2.536 81 Y HA 0.822 5.370 4.550 -0.003 0.000 0.347 81 Y C -1.944 173.599 175.900 -0.594 0.000 1.000 81 Y CA -1.765 56.106 58.100 -0.381 0.000 1.051 81 Y CB 1.124 39.574 38.460 -0.016 0.000 1.259 81 Y HN 0.342 nan 8.280 nan 0.000 0.468 82 V N 4.991 124.769 119.914 -0.227 0.000 2.531 82 V HA 0.559 4.677 4.120 -0.003 0.000 0.301 82 V C -0.203 175.865 176.094 -0.042 0.000 1.034 82 V CA -0.775 61.422 62.300 -0.173 0.000 0.865 82 V CB 1.325 33.084 31.823 -0.106 0.000 0.995 82 V HN 0.866 nan 8.190 nan 0.000 0.424 83 I N 2.276 122.786 120.570 -0.100 0.000 2.892 83 I HA 0.809 4.978 4.170 -0.003 0.000 0.306 83 I C -1.478 174.494 176.117 -0.242 0.000 1.078 83 I CA -1.115 60.027 61.300 -0.263 0.000 1.032 83 I CB 2.192 39.892 38.000 -0.500 0.000 1.229 83 I HN 0.313 nan 8.210 nan 0.000 0.435 84 L N 2.459 123.531 121.223 -0.251 0.000 2.330 84 L HA 0.561 4.899 4.340 -0.003 0.000 0.271 84 L C -0.257 176.472 176.870 -0.236 0.000 1.013 84 L CA -0.205 54.514 54.840 -0.201 0.000 0.816 84 L CB 1.604 43.582 42.059 -0.134 0.000 1.287 84 L HN 0.713 nan 8.230 nan 0.000 0.435 85 E N 1.263 121.347 120.200 -0.193 0.000 2.199 85 E HA 0.660 5.009 4.350 -0.003 0.000 0.265 85 E C -0.911 175.625 176.600 -0.106 0.000 0.882 85 E CA -1.050 55.247 56.400 -0.171 0.000 0.759 85 E CB 1.659 31.247 29.700 -0.187 0.000 1.148 85 E HN 0.735 nan 8.360 nan 0.000 0.412 86 A N 2.989 125.759 122.820 -0.084 0.000 2.573 86 A HA 0.349 4.668 4.320 -0.003 0.000 0.250 86 A C 1.232 178.790 177.584 -0.043 0.000 1.049 86 A CA 1.096 53.100 52.037 -0.055 0.000 0.767 86 A CB -0.678 18.297 19.000 -0.042 0.000 0.965 86 A HN 1.163 nan 8.150 nan 0.000 0.514 87 G N 1.792 110.571 108.800 -0.035 0.000 2.179 87 G HA2 -0.199 3.760 3.960 -0.003 0.000 0.260 87 G HA3 -0.199 3.760 3.960 -0.003 0.000 0.260 87 G C 0.130 175.015 174.900 -0.025 0.000 0.977 87 G CA 0.629 45.715 45.100 -0.024 0.000 0.641 87 G HN 0.770 nan 8.290 nan 0.000 0.533 88 K N 1.004 121.381 120.400 -0.037 0.000 2.270 88 K HA 0.557 4.875 4.320 -0.003 0.000 0.255 88 K C -2.340 174.237 176.600 -0.038 0.000 0.936 88 K CA -1.843 54.423 56.287 -0.036 0.000 0.809 88 K CB 2.456 34.926 32.500 -0.050 0.000 1.131 88 K HN 0.176 nan 8.250 nan 0.000 0.427 89 P HA 0.200 nan 4.420 nan 0.000 0.277 89 P C 0.573 177.851 177.300 -0.037 0.000 1.240 89 P CA 0.226 63.313 63.100 -0.022 0.000 0.798 89 P CB 0.771 32.469 31.700 -0.004 0.000 0.979 90 G N 0.866 109.642 108.800 -0.041 0.000 2.550 90 G HA2 -0.104 3.854 3.960 -0.003 0.000 0.277 90 G HA3 -0.104 3.854 3.960 -0.003 0.000 0.277 90 G C -0.285 174.552 174.900 -0.105 0.000 1.190 90 G CA 0.446 45.506 45.100 -0.067 0.000 0.971 90 G HN 0.970 nan 8.290 nan 0.000 0.559 91 V N -3.445 116.385 119.914 -0.140 0.000 3.160 91 V HA 0.948 5.067 4.120 -0.003 0.000 0.310 91 V C -0.401 175.604 176.094 -0.148 0.000 1.181 91 V CA -0.635 61.561 62.300 -0.173 0.000 1.047 91 V CB 1.942 33.611 31.823 -0.257 0.000 1.068 91 V HN 1.040 nan 8.190 nan 0.000 0.441 92 K N 0.969 121.279 120.400 -0.151 0.000 2.318 92 K HA 0.714 5.032 4.320 -0.003 0.000 0.249 92 K C -0.974 175.559 176.600 -0.112 0.000 0.942 92 K CA -0.575 55.657 56.287 -0.090 0.000 0.808 92 K CB 2.303 34.755 32.500 -0.080 0.000 1.189 92 K HN 1.012 nan 8.250 nan 0.000 0.428 93 E N 0.180 120.297 120.200 -0.138 0.000 2.416 93 E HA 0.797 5.145 4.350 -0.003 0.000 0.273 93 E C -0.487 175.771 176.600 -0.570 0.000 0.935 93 E CA -1.274 54.885 56.400 -0.402 0.000 0.784 93 E CB 2.232 31.858 29.700 -0.125 0.000 1.301 93 E HN 0.641 nan 8.360 nan 0.000 0.454 94 G N 0.119 108.270 108.800 -1.082 0.000 2.341 94 G HA2 0.415 4.373 3.960 -0.003 0.000 0.299 94 G HA3 0.415 4.373 3.960 -0.003 0.000 0.299 94 G C -1.838 172.805 174.900 -0.428 0.000 1.274 94 G CA -1.006 43.703 45.100 -0.652 0.000 0.853 94 G HN 0.409 nan 8.290 nan 0.000 0.493 95 L N -0.087 121.145 121.223 0.014 0.000 2.381 95 L HA 0.716 5.055 4.340 -0.003 0.000 0.268 95 L C -0.570 176.436 176.870 0.227 0.000 0.997 95 L CA -1.177 53.761 54.840 0.163 0.000 0.818 95 L CB 2.329 44.456 42.059 0.114 0.000 1.310 95 L HN 0.343 nan 8.230 nan 0.000 0.416 96 V N 0.939 120.989 119.914 0.226 0.000 2.417 96 V HA 0.184 4.302 4.120 -0.003 0.000 0.291 96 V C -0.594 175.555 176.094 0.092 0.000 1.024 96 V CA -0.503 61.880 62.300 0.138 0.000 0.861 96 V CB 1.957 33.855 31.823 0.124 0.000 0.985 96 V HN 0.717 nan 8.190 nan 0.000 0.436 97 D N 3.561 123.996 120.400 0.058 0.000 2.336 97 D HA 0.264 4.902 4.640 -0.003 0.000 0.249 97 D C 0.921 177.242 176.300 0.034 0.000 1.213 97 D CA -0.112 53.913 54.000 0.042 0.000 0.870 97 D CB 1.053 41.872 40.800 0.031 0.000 1.076 97 D HN 0.438 nan 8.370 nan 0.000 0.483 98 L N 3.604 124.847 121.223 0.033 0.000 2.156 98 L HA -0.014 4.324 4.340 -0.003 0.000 0.208 98 L C 2.343 179.223 176.870 0.016 0.000 1.095 98 L CA 0.926 55.781 54.840 0.025 0.000 0.770 98 L CB -0.248 41.826 42.059 0.025 0.000 0.914 98 L HN 0.578 nan 8.230 nan 0.000 0.439 99 A N -0.189 122.639 122.820 0.014 0.000 1.898 99 A HA -0.176 4.143 4.320 -0.003 0.000 0.216 99 A C 2.382 179.973 177.584 0.012 0.000 1.181 99 A CA 1.890 53.933 52.037 0.010 0.000 0.620 99 A CB -0.485 18.520 19.000 0.008 0.000 0.819 99 A HN 0.476 nan 8.150 nan 0.000 0.442 100 S N -1.284 114.425 115.700 0.015 0.000 2.556 100 S HA 0.377 4.845 4.470 -0.003 0.000 0.216 100 S C 0.525 175.136 174.600 0.017 0.000 0.970 100 S CA 0.206 58.415 58.200 0.016 0.000 0.912 100 S CB -0.552 62.658 63.200 0.017 0.000 0.790 100 S HN 0.622 nan 8.310 nan 0.000 0.504 101 L N 1.967 123.200 121.223 0.017 0.000 3.762 101 L HA -0.175 4.163 4.340 -0.003 0.000 0.460 101 L C -0.044 176.838 176.870 0.021 0.000 1.255 101 L CA 0.475 55.325 54.840 0.017 0.000 0.783 101 L CB -2.420 39.648 42.059 0.014 0.000 1.600 101 L HN 0.684 nan 8.230 nan 0.000 0.862 102 S N -2.331 113.381 115.700 0.020 0.000 2.546 102 S HA 0.743 5.212 4.470 -0.003 0.000 0.274 102 S C -0.324 174.272 174.600 -0.006 0.000 1.121 102 S CA -1.041 57.169 58.200 0.017 0.000 0.887 102 S CB 2.515 65.730 63.200 0.024 0.000 1.094 102 S HN -0.005 nan 8.310 nan 0.000 0.474 103 V N 3.474 123.346 119.914 -0.070 0.000 2.470 103 V HA 0.197 4.315 4.120 -0.003 0.000 0.276 103 V C 1.160 177.188 176.094 -0.110 0.000 1.040 103 V CA -0.063 62.142 62.300 -0.158 0.000 1.008 103 V CB 0.123 31.589 31.823 -0.596 0.000 0.990 103 V HN 0.922 nan 8.190 nan 0.000 0.477 104 I N 1.082 121.634 120.570 -0.029 0.000 4.139 104 I HA 0.541 4.710 4.170 -0.003 0.000 0.335 104 I C 0.561 176.678 176.117 -0.001 0.000 1.327 104 I CA 0.281 61.578 61.300 -0.005 0.000 1.112 104 I CB 0.493 38.505 38.000 0.020 0.000 1.058 104 I HN 0.600 nan 8.210 nan 0.000 0.396 105 E N 0.559 120.756 120.200 -0.005 0.000 2.354 105 E HA 0.463 4.811 4.350 -0.003 0.000 0.283 105 E C -1.406 175.196 176.600 0.003 0.000 0.938 105 E CA -0.449 55.956 56.400 0.009 0.000 0.777 105 E CB 2.439 32.154 29.700 0.025 0.000 1.222 105 E HN 0.089 nan 8.360 nan 0.000 0.423 106 T N 2.702 117.270 114.554 0.024 0.000 2.982 106 T HA 0.646 4.994 4.350 -0.003 0.000 0.321 106 T C -1.973 172.779 174.700 0.087 0.000 1.229 106 T CA -0.667 61.475 62.100 0.070 0.000 1.044 106 T CB 0.876 69.809 68.868 0.108 0.000 1.184 106 T HN 0.610 nan 8.240 nan 0.000 0.477 107 R N 1.849 122.403 120.500 0.089 0.000 2.634 107 R HA 0.815 5.153 4.340 -0.003 0.000 0.263 107 R C -1.583 174.759 176.300 0.069 0.000 1.060 107 R CA -1.165 54.984 56.100 0.083 0.000 0.898 107 R CB 1.055 31.389 30.300 0.057 0.000 1.253 107 R HN 0.672 nan 8.270 nan 0.000 0.461 108 A N 2.521 125.381 122.820 0.065 0.000 2.301 108 A HA 0.634 4.952 4.320 -0.003 0.000 0.312 108 A C -0.969 176.619 177.584 0.006 0.000 1.182 108 A CA -0.682 51.373 52.037 0.030 0.000 0.826 108 A CB 0.798 19.823 19.000 0.043 0.000 1.134 108 A HN 0.423 nan 8.150 nan 0.000 0.501 109 L N 2.801 124.005 121.223 -0.031 0.000 2.384 109 L HA 0.334 4.673 4.340 -0.003 0.000 0.261 109 L C 0.943 177.784 176.870 -0.049 0.000 1.024 109 L CA 0.244 55.060 54.840 -0.039 0.000 0.899 109 L CB 0.571 42.585 42.059 -0.074 0.000 1.243 109 L HN 0.924 nan 8.230 nan 0.000 0.449 110 E N 0.405 120.594 120.200 -0.018 0.000 2.418 110 E HA -0.057 4.291 4.350 -0.003 0.000 0.197 110 E C 0.532 177.131 176.600 -0.002 0.000 1.026 110 E CA 1.113 57.505 56.400 -0.013 0.000 0.862 110 E CB 0.449 30.151 29.700 0.002 0.000 0.799 110 E HN 0.657 nan 8.360 nan 0.000 0.518 111 T N -2.051 112.507 114.554 0.007 0.000 3.296 111 T HA 0.298 4.646 4.350 -0.003 0.000 0.285 111 T C 0.102 174.831 174.700 0.049 0.000 1.014 111 T CA -0.525 61.597 62.100 0.037 0.000 0.920 111 T CB -0.171 68.729 68.868 0.053 0.000 1.143 111 T HN -0.021 nan 8.240 nan 0.000 0.522 112 V N -2.218 117.701 119.914 0.008 0.000 3.113 112 V HA 0.847 4.965 4.120 -0.003 0.000 0.316 112 V C -1.582 174.506 176.094 -0.010 0.000 1.125 112 V CA -1.075 61.234 62.300 0.016 0.000 1.026 112 V CB 2.340 34.148 31.823 -0.026 0.000 1.080 112 V HN 0.157 nan 8.190 nan 0.000 0.444 113 Q N 1.855 121.675 119.800 0.034 0.000 2.356 113 Q HA 0.636 4.974 4.340 -0.003 0.000 0.270 113 Q C -2.836 173.196 176.000 0.053 0.000 1.058 113 Q CA -1.702 54.113 55.803 0.021 0.000 0.802 113 Q CB 2.792 31.562 28.738 0.054 0.000 1.303 113 Q HN 0.733 nan 8.270 nan 0.000 0.444 114 P HA 0.332 nan 4.420 nan 0.000 0.287 114 P C 0.039 177.406 177.300 0.112 0.000 1.296 114 P CA -0.810 62.374 63.100 0.140 0.000 0.811 114 P CB 1.260 33.012 31.700 0.088 0.000 1.211 115 I N 0.031 120.688 120.570 0.145 0.000 2.948 115 I HA -0.111 4.057 4.170 -0.003 0.000 0.303 115 I C -0.032 176.154 176.117 0.114 0.000 1.224 115 I CA 0.198 61.565 61.300 0.111 0.000 1.442 115 I CB 0.012 38.135 38.000 0.206 0.000 1.328 115 I HN 0.109 nan 8.210 nan 0.000 0.578 116 L N 7.746 129.024 121.223 0.091 0.000 2.261 116 L HA 0.250 4.588 4.340 -0.003 0.000 0.289 116 L C 0.641 177.583 176.870 0.121 0.000 1.059 116 L CA -0.452 54.459 54.840 0.118 0.000 0.816 116 L CB 0.833 42.996 42.059 0.174 0.000 1.191 116 L HN 0.669 nan 8.230 nan 0.000 0.431 117 T N -0.668 113.875 114.554 -0.019 0.000 2.816 117 T HA 0.131 4.479 4.350 -0.003 0.000 0.282 117 T C 1.396 175.998 174.700 -0.164 0.000 0.993 117 T CA -0.239 61.699 62.100 -0.270 0.000 0.994 117 T CB 1.577 70.209 68.868 -0.394 0.000 1.025 117 T HN 0.365 nan 8.240 nan 0.000 0.529 118 V N 0.054 119.830 119.914 -0.231 0.000 2.407 118 V HA -0.115 4.003 4.120 -0.003 0.000 0.248 118 V C 2.258 178.318 176.094 -0.056 0.000 1.055 118 V CA 2.010 64.256 62.300 -0.090 0.000 1.049 118 V CB -1.139 30.656 31.823 -0.047 0.000 0.662 118 V HN 0.953 nan 8.190 nan 0.000 0.455 119 E N -0.004 120.149 120.200 -0.079 0.000 2.077 119 E HA -0.218 4.131 4.350 -0.003 0.000 0.193 119 E C 2.021 178.609 176.600 -0.020 0.000 0.989 119 E CA 1.594 57.972 56.400 -0.037 0.000 0.800 119 E CB -0.226 29.451 29.700 -0.037 0.000 0.746 119 E HN 0.674 nan 8.360 nan 0.000 0.452 120 D N 0.472 120.856 120.400 -0.027 0.000 2.149 120 D HA -0.150 4.488 4.640 -0.003 0.000 0.198 120 D C 1.905 178.219 176.300 0.023 0.000 0.990 120 D CA 0.986 54.986 54.000 0.000 0.000 0.839 120 D CB -0.036 40.769 40.800 0.008 0.000 0.948 120 D HN 0.195 nan 8.370 nan 0.000 0.460 121 L N 0.510 121.749 121.223 0.028 0.000 2.375 121 L HA 0.007 4.345 4.340 -0.003 0.000 0.215 121 L C 2.638 179.533 176.870 0.042 0.000 1.108 121 L CA 0.293 55.162 54.840 0.048 0.000 0.830 121 L CB -0.181 41.906 42.059 0.046 0.000 0.959 121 L HN 0.180 nan 8.230 nan 0.000 0.457 122 C N -1.458 117.858 119.300 0.026 0.000 2.432 122 C HA -0.034 4.424 4.460 -0.003 0.000 0.282 122 C C 2.805 177.813 174.990 0.030 0.000 1.388 122 C CA 0.451 59.486 59.018 0.029 0.000 1.777 122 C CB -1.169 26.584 27.740 0.020 0.000 1.882 122 C HN 0.562 nan 8.230 nan 0.000 0.520 123 S N -0.162 115.553 115.700 0.026 0.000 2.524 123 S HA -0.005 4.463 4.470 -0.003 0.000 0.216 123 S C 1.400 176.015 174.600 0.025 0.000 0.987 123 S CA 1.033 59.245 58.200 0.020 0.000 0.909 123 S CB -0.929 62.279 63.200 0.014 0.000 0.781 123 S HN 0.628 nan 8.310 nan 0.000 0.521 124 T N 2.642 117.218 114.554 0.038 0.000 2.746 124 T HA -0.108 4.240 4.350 -0.003 0.000 0.267 124 T C 1.630 176.356 174.700 0.044 0.000 1.039 124 T CA 1.756 63.883 62.100 0.046 0.000 1.142 124 T CB -0.329 68.580 68.868 0.068 0.000 0.866 124 T HN 0.646 nan 8.240 nan 0.000 0.444 125 E N 0.534 120.760 120.200 0.044 0.000 2.051 125 E HA -0.174 4.174 4.350 -0.003 0.000 0.192 125 E C 2.282 178.881 176.600 -0.002 0.000 0.991 125 E CA 0.976 57.392 56.400 0.027 0.000 0.799 125 E CB 0.089 29.802 29.700 0.021 0.000 0.748 125 E HN 0.300 nan 8.360 nan 0.000 0.449 126 E N 0.071 120.269 120.200 -0.004 0.000 2.106 126 E HA -0.133 4.215 4.350 -0.003 0.000 0.192 126 E C 2.255 178.856 176.600 0.002 0.000 0.984 126 E CA 0.669 57.063 56.400 -0.009 0.000 0.806 126 E CB -0.171 29.524 29.700 -0.008 0.000 0.750 126 E HN 0.188 nan 8.360 nan 0.000 0.458 127 V N 2.226 122.146 119.914 0.010 0.000 2.282 127 V HA -0.287 3.831 4.120 -0.003 0.000 0.249 127 V C 2.562 178.667 176.094 0.018 0.000 1.057 127 V CA 2.154 64.461 62.300 0.012 0.000 1.032 127 V CB -0.749 31.083 31.823 0.014 0.000 0.645 127 V HN 0.352 nan 8.190 nan 0.000 0.447 128 I N -1.534 119.054 120.570 0.029 0.000 2.439 128 I HA -0.129 4.039 4.170 -0.003 0.000 0.251 128 I C 2.499 178.641 176.117 0.041 0.000 1.139 128 I CA 1.462 62.791 61.300 0.047 0.000 1.438 128 I CB -0.591 37.455 38.000 0.077 0.000 1.085 128 I HN 0.031 nan 8.210 nan 0.000 0.427 129 R N 1.188 121.701 120.500 0.021 0.000 2.152 129 R HA -0.034 4.305 4.340 -0.003 0.000 0.232 129 R C 1.262 177.570 176.300 0.013 0.000 1.117 129 R CA 1.395 57.502 56.100 0.011 0.000 0.981 129 R CB -0.387 29.903 30.300 -0.017 0.000 0.870 129 R HN 0.541 nan 8.270 nan 0.000 0.451 130 N N 0.482 119.188 118.700 0.009 0.000 2.205 130 N HA -0.039 4.699 4.740 -0.003 0.000 0.201 130 N C -0.645 174.866 175.510 0.002 0.000 1.128 130 N CA 0.142 53.195 53.050 0.005 0.000 0.867 130 N CB 0.477 38.965 38.487 0.002 0.000 0.996 130 N HN 0.167 nan 8.380 nan 0.000 0.503 131 D N 1.121 121.524 120.400 0.005 0.000 2.295 131 D HA 0.161 4.799 4.640 -0.003 0.000 0.248 131 D C -1.578 174.712 176.300 -0.016 0.000 1.154 131 D CA -1.894 52.104 54.000 -0.004 0.000 0.857 131 D CB 1.939 42.739 40.800 0.000 0.000 1.117 131 D HN -0.098 nan 8.370 nan 0.000 0.468 132 P HA -0.166 nan 4.420 nan 0.000 0.215 132 P C 0.824 178.090 177.300 -0.056 0.000 1.153 132 P CA 1.304 64.384 63.100 -0.033 0.000 0.853 132 P CB 0.130 31.812 31.700 -0.029 0.000 0.788 133 A N -0.815 121.965 122.820 -0.067 0.000 1.930 133 A HA -0.119 4.199 4.320 -0.003 0.000 0.217 133 A C 2.323 179.816 177.584 -0.152 0.000 1.175 133 A CA 1.535 53.506 52.037 -0.109 0.000 0.627 133 A CB -1.613 17.320 19.000 -0.112 0.000 0.815 133 A HN 0.025 nan 8.150 nan 0.000 0.443 134 V N 0.307 120.161 119.914 -0.100 0.000 2.295 134 V HA -0.275 3.843 4.120 -0.003 0.000 0.246 134 V C 2.415 178.452 176.094 -0.094 0.000 1.049 134 V CA 2.047 64.293 62.300 -0.091 0.000 1.024 134 V CB -0.742 31.112 31.823 0.051 0.000 0.648 134 V HN 0.580 nan 8.190 nan 0.000 0.447 135 I N 0.151 120.693 120.570 -0.047 0.000 2.151 135 I HA -0.340 3.828 4.170 -0.003 0.000 0.243 135 I C 2.600 178.673 176.117 -0.073 0.000 1.080 135 I CA 2.254 63.535 61.300 -0.032 0.000 1.339 135 I CB -0.447 37.542 38.000 -0.018 0.000 1.039 135 I HN 0.428 nan 8.210 nan 0.000 0.409 136 E N 0.517 120.653 120.200 -0.107 0.000 2.097 136 E HA -0.291 4.057 4.350 -0.003 0.000 0.196 136 E C 2.225 178.713 176.600 -0.187 0.000 1.000 136 E CA 1.346 57.670 56.400 -0.126 0.000 0.804 136 E CB 0.068 29.692 29.700 -0.127 0.000 0.740 136 E HN 0.419 nan 8.360 nan 0.000 0.454 137 Q N -0.053 119.549 119.800 -0.330 0.000 2.167 137 Q HA -0.129 4.209 4.340 -0.003 0.000 0.202 137 Q C 2.403 178.209 176.000 -0.323 0.000 0.970 137 Q CA 1.164 56.634 55.803 -0.554 0.000 0.855 137 Q CB -0.614 27.315 28.738 -1.348 0.000 0.911 137 Q HN 0.455 nan 8.270 nan 0.000 0.438 138 C N -0.291 118.931 119.300 -0.130 0.000 2.432 138 C HA -0.072 4.386 4.460 -0.003 0.000 0.277 138 C C 2.859 177.853 174.990 0.006 0.000 1.249 138 C CA 0.441 59.502 59.018 0.071 0.000 1.725 138 C CB -1.005 26.802 27.740 0.112 0.000 2.028 138 C HN 0.254 nan 8.230 nan 0.000 0.477 139 V N 1.179 121.074 119.914 -0.032 0.000 2.287 139 V HA -0.256 3.862 4.120 -0.003 0.000 0.248 139 V C 2.352 178.423 176.094 -0.039 0.000 1.053 139 V CA 2.022 64.302 62.300 -0.033 0.000 1.027 139 V CB -0.700 31.101 31.823 -0.038 0.000 0.646 139 V HN 0.558 nan 8.190 nan 0.000 0.447 140 L N -0.127 121.060 121.223 -0.060 0.000 2.131 140 L HA -0.136 4.202 4.340 -0.003 0.000 0.210 140 L C 2.246 179.100 176.870 -0.027 0.000 1.092 140 L CA 1.471 56.279 54.840 -0.053 0.000 0.759 140 L CB -0.468 41.542 42.059 -0.081 0.000 0.903 140 L HN 0.291 nan 8.230 nan 0.000 0.435 141 S N -0.579 115.118 115.700 -0.005 0.000 2.593 141 S HA 0.178 4.647 4.470 -0.003 0.000 0.217 141 S C 1.314 175.902 174.600 -0.021 0.000 0.966 141 S CA 0.671 58.886 58.200 0.026 0.000 0.914 141 S CB 0.423 63.703 63.200 0.133 0.000 0.776 141 S HN 0.652 nan 8.310 nan 0.000 0.523 142 G N 1.423 110.201 108.800 -0.036 0.000 2.134 142 G HA2 -0.203 3.755 3.960 -0.003 0.000 0.209 142 G HA3 -0.203 3.755 3.960 -0.003 0.000 0.209 142 G C -0.121 174.727 174.900 -0.088 0.000 0.993 142 G CA -0.444 44.620 45.100 -0.059 0.000 0.669 142 G HN 0.488 nan 8.290 nan 0.000 0.519 143 I N 1.602 122.130 120.570 -0.070 0.000 2.354 143 I HA 0.333 4.501 4.170 -0.003 0.000 0.286 143 I C -2.158 173.954 176.117 -0.007 0.000 1.007 143 I CA -2.531 58.732 61.300 -0.062 0.000 1.167 143 I CB 2.021 39.988 38.000 -0.055 0.000 1.320 143 I HN -0.162 nan 8.210 nan 0.000 0.458 144 P HA 0.036 nan 4.420 nan 0.000 0.269 144 P C 0.559 177.875 177.300 0.027 0.000 1.209 144 P CA -0.073 63.037 63.100 0.015 0.000 0.776 144 P CB 0.920 32.635 31.700 0.025 0.000 0.876 145 A N 3.415 126.247 122.820 0.019 0.000 2.024 145 A HA -0.224 4.094 4.320 -0.003 0.000 0.220 145 A C 1.552 179.160 177.584 0.039 0.000 1.164 145 A CA 1.941 53.991 52.037 0.022 0.000 0.643 145 A CB -1.434 17.571 19.000 0.009 0.000 0.806 145 A HN 0.810 nan 8.150 nan 0.000 0.451 146 N N -1.188 117.540 118.700 0.048 0.000 2.449 146 N HA 0.009 4.747 4.740 -0.003 0.000 0.191 146 N C 0.382 175.966 175.510 0.123 0.000 1.161 146 N CA 0.408 53.502 53.050 0.073 0.000 0.863 146 N CB 0.035 38.558 38.487 0.060 0.000 0.980 146 N HN 0.566 nan 8.380 nan 0.000 0.458 147 E N -0.021 120.232 120.200 0.089 0.000 2.651 147 E HA 0.177 4.526 4.350 -0.003 0.000 0.208 147 E C 0.775 177.344 176.600 -0.053 0.000 0.997 147 E CA -0.339 56.082 56.400 0.035 0.000 1.020 147 E CB 0.351 30.075 29.700 0.041 0.000 1.052 147 E HN 0.326 nan 8.360 nan 0.000 0.465 148 M N 0.848 120.469 119.600 0.034 0.000 2.358 148 M HA -0.139 4.340 4.480 -0.003 0.000 0.264 148 M C 2.038 178.315 176.300 -0.037 0.000 1.064 148 M CA 1.403 56.714 55.300 0.017 0.000 1.093 148 M CB -1.047 31.576 32.600 0.038 0.000 1.401 148 M HN 0.387 nan 8.290 nan 0.000 0.440 149 H N -0.650 118.403 119.070 -0.030 0.000 2.521 149 H HA -0.025 4.530 4.556 -0.003 0.000 0.286 149 H C 1.041 176.295 175.328 -0.123 0.000 1.034 149 H CA 0.876 56.867 56.048 -0.094 0.000 1.278 149 H CB -0.428 29.299 29.762 -0.057 0.000 1.386 149 H HN 0.367 nan 8.280 nan 0.000 0.567 150 K N 1.014 121.117 120.400 -0.495 0.000 2.444 150 K HA 0.191 4.510 4.320 -0.003 0.000 0.193 150 K C 0.072 176.683 176.600 0.019 0.000 1.024 150 K CA -0.055 56.072 56.287 -0.268 0.000 1.077 150 K CB 0.996 33.294 32.500 -0.337 0.000 0.833 150 K HN 0.023 nan 8.250 nan 0.000 0.517 151 V N 1.888 121.789 119.914 -0.021 0.000 2.439 151 V HA 0.216 4.335 4.120 -0.003 0.000 0.282 151 V C -0.711 175.346 176.094 -0.061 0.000 1.039 151 V CA -0.544 61.825 62.300 0.116 0.000 0.913 151 V CB 0.420 32.312 31.823 0.116 0.000 0.983 151 V HN 0.033 nan 8.190 nan 0.000 0.460 152 Y N 2.871 123.212 120.300 0.070 0.000 2.602 152 Y HA 0.749 5.297 4.550 -0.003 0.000 0.342 152 Y C 0.245 176.210 175.900 0.109 0.000 1.029 152 Y CA -0.851 57.289 58.100 0.067 0.000 1.080 152 Y CB 2.075 40.552 38.460 0.027 0.000 1.284 152 Y HN 0.850 nan 8.280 nan 0.000 0.485 153 C N -1.086 118.375 119.300 0.268 0.000 2.994 153 C HA 0.657 5.115 4.460 -0.003 0.000 0.305 153 C C -1.418 173.744 174.990 0.287 0.000 1.251 153 C CA -0.988 58.184 59.018 0.256 0.000 1.478 153 C CB 1.605 29.433 27.740 0.146 0.000 1.922 153 C HN 0.739 nan 8.230 nan 0.000 0.472 154 D N 4.053 124.676 120.400 0.371 0.000 2.313 154 D HA 0.433 5.072 4.640 -0.003 0.000 0.239 154 D C -2.280 174.278 176.300 0.429 0.000 1.142 154 D CA -1.111 53.133 54.000 0.408 0.000 0.847 154 D CB 1.561 42.718 40.800 0.594 0.000 1.082 154 D HN 0.523 nan 8.370 nan 0.000 0.480 155 P HA 0.169 nan 4.420 nan 0.000 0.280 155 P C -0.759 176.755 177.300 0.357 0.000 1.300 155 P CA -0.487 62.778 63.100 0.275 0.000 0.785 155 P CB 0.262 32.058 31.700 0.160 0.000 0.874 156 W N 1.372 122.744 121.300 0.120 0.000 2.578 156 W HA 0.372 5.031 4.660 -0.003 0.000 0.346 156 W C 0.981 177.623 176.519 0.205 0.000 1.075 156 W CA -0.450 57.017 57.345 0.204 0.000 1.233 156 W CB 0.971 30.517 29.460 0.143 0.000 1.358 156 W HN 0.174 nan 8.180 nan 0.000 0.574 157 T N 2.471 117.308 114.554 0.471 0.000 2.946 157 T HA -0.086 4.262 4.350 -0.003 0.000 0.312 157 T C 1.168 176.003 174.700 0.226 0.000 1.066 157 T CA 0.136 62.369 62.100 0.221 0.000 1.138 157 T CB 0.246 69.109 68.868 -0.007 0.000 1.014 157 T HN 0.489 nan 8.240 nan 0.000 0.544 158 I N 3.484 124.131 120.570 0.127 0.000 2.700 158 I HA 0.065 4.234 4.170 -0.003 0.000 0.261 158 I C 1.742 177.898 176.117 0.065 0.000 1.219 158 I CA 1.514 62.865 61.300 0.085 0.000 1.463 158 I CB -0.767 37.260 38.000 0.045 0.000 1.092 158 I HN 1.117 nan 8.210 nan 0.000 0.452 159 G N 0.472 109.306 108.800 0.056 0.000 4.766 159 G HA2 -0.388 3.571 3.960 -0.003 0.000 0.314 159 G HA3 -0.388 3.571 3.960 -0.003 0.000 0.314 159 G C -0.017 174.984 174.900 0.168 0.000 1.427 159 G CA 0.539 45.627 45.100 -0.020 0.000 1.024 159 G HN 0.450 nan 8.290 nan 0.000 0.754 160 Y N 1.934 122.268 120.300 0.058 0.000 2.442 160 Y HA 0.592 5.140 4.550 -0.003 0.000 0.330 160 Y C -2.065 173.894 175.900 0.097 0.000 1.100 160 Y CA -0.586 57.572 58.100 0.097 0.000 1.034 160 Y CB 2.163 40.680 38.460 0.095 0.000 1.285 160 Y HN 0.478 nan 8.280 nan 0.000 0.440 161 D N 5.468 125.502 120.400 -0.611 0.000 2.620 161 D HA 0.121 4.760 4.640 -0.003 0.000 0.252 161 D C 0.517 176.366 176.300 -0.750 0.000 1.207 161 D CA -0.253 53.479 54.000 -0.446 0.000 0.884 161 D CB 1.532 42.346 40.800 0.024 0.000 1.262 161 D HN 0.861 nan 8.370 nan 0.000 0.552 162 E N 3.764 123.583 120.200 -0.636 0.000 2.401 162 E HA -0.165 4.184 4.350 -0.003 0.000 0.199 162 E C 0.840 177.228 176.600 -0.352 0.000 1.023 162 E CA 0.524 56.691 56.400 -0.389 0.000 0.859 162 E CB 0.016 29.677 29.700 -0.067 0.000 0.780 162 E HN 0.467 nan 8.360 nan 0.000 0.523 163 R N -0.554 119.639 120.500 -0.512 0.000 2.148 163 R HA 0.012 4.351 4.340 -0.003 0.000 0.223 163 R C 1.341 177.051 176.300 -0.984 0.000 1.088 163 R CA 1.371 56.932 56.100 -0.899 0.000 0.985 163 R CB 0.019 29.407 30.300 -1.519 0.000 0.880 163 R HN 0.348 nan 8.270 nan 0.000 0.451 164 W N -0.667 120.522 121.300 -0.185 0.000 2.592 164 W HA 0.316 4.975 4.660 -0.003 0.000 0.306 164 W C 1.028 177.492 176.519 -0.091 0.000 0.991 164 W CA 0.395 57.666 57.345 -0.123 0.000 1.430 164 W CB 0.017 29.415 29.460 -0.103 0.000 1.017 164 W HN 0.222 nan 8.180 nan 0.000 0.557 165 G N 2.215 111.027 108.800 0.020 0.000 2.634 165 G HA2 -0.435 3.524 3.960 -0.003 0.000 0.309 165 G HA3 -0.435 3.524 3.960 -0.003 0.000 0.309 165 G C 0.793 175.797 174.900 0.173 0.000 1.265 165 G CA 2.258 47.429 45.100 0.118 0.000 0.998 165 G HN 0.154 nan 8.290 nan 0.000 0.551 166 T N -1.715 112.948 114.554 0.181 0.000 3.145 166 T HA 0.499 4.847 4.350 -0.003 0.000 0.255 166 T C 2.046 176.809 174.700 0.106 0.000 1.039 166 T CA 1.032 63.221 62.100 0.148 0.000 0.928 166 T CB 0.668 69.626 68.868 0.149 0.000 1.029 166 T HN 1.559 nan 8.240 nan 0.000 0.554 167 G N 1.541 110.412 108.800 0.118 0.000 2.471 167 G HA2 0.073 4.031 3.960 -0.003 0.000 0.219 167 G HA3 0.073 4.031 3.960 -0.003 0.000 0.219 167 G C 0.459 175.403 174.900 0.073 0.000 1.125 167 G CA 0.112 45.270 45.100 0.097 0.000 0.775 167 G HN 0.489 nan 8.290 nan 0.000 0.548 168 K N -0.595 119.844 120.400 0.064 0.000 2.426 168 K HA 0.392 4.710 4.320 -0.003 0.000 0.251 168 K C -0.909 175.684 176.600 -0.011 0.000 0.941 168 K CA -0.935 55.352 56.287 -0.000 0.000 0.808 168 K CB 2.439 34.895 32.500 -0.073 0.000 1.265 168 K HN -0.026 nan 8.250 nan 0.000 0.432 169 R N 3.360 123.845 120.500 -0.024 0.000 2.210 169 R HA 0.298 4.636 4.340 -0.003 0.000 0.338 169 R C -0.985 175.292 176.300 -0.039 0.000 1.062 169 R CA -0.121 55.970 56.100 -0.015 0.000 0.902 169 R CB 0.113 30.405 30.300 -0.013 0.000 1.050 169 R HN 0.482 nan 8.270 nan 0.000 0.461 170 L N 3.730 124.934 121.223 -0.032 0.000 2.354 170 L HA 0.468 4.807 4.340 -0.003 0.000 0.269 170 L C -0.308 176.560 176.870 -0.002 0.000 1.005 170 L CA -0.981 53.820 54.840 -0.064 0.000 0.819 170 L CB 2.370 44.347 42.059 -0.137 0.000 1.311 170 L HN 0.594 nan 8.230 nan 0.000 0.423 171 Q N 1.440 121.241 119.800 0.002 0.000 2.399 171 Q HA 0.448 4.786 4.340 -0.003 0.000 0.276 171 Q C -1.357 174.674 176.000 0.052 0.000 1.098 171 Q CA -0.860 54.985 55.803 0.069 0.000 0.827 171 Q CB 2.996 31.791 28.738 0.094 0.000 1.386 171 Q HN 0.532 nan 8.270 nan 0.000 0.443 172 Q N -0.131 119.731 119.800 0.103 0.000 2.309 172 Q HA 0.787 5.125 4.340 -0.003 0.000 0.264 172 Q C -1.426 174.622 176.000 0.080 0.000 1.008 172 Q CA -1.017 54.820 55.803 0.058 0.000 0.853 172 Q CB 1.813 30.556 28.738 0.009 0.000 1.314 172 Q HN 0.538 nan 8.270 nan 0.000 0.448 173 A N 4.568 127.413 122.820 0.041 0.000 2.256 173 A HA 0.458 4.776 4.320 -0.003 0.000 0.317 173 A C -0.433 177.126 177.584 -0.042 0.000 1.318 173 A CA -0.813 51.255 52.037 0.053 0.000 0.894 173 A CB 0.377 19.417 19.000 0.067 0.000 1.165 173 A HN 0.808 nan 8.150 nan 0.000 0.525 174 L N 3.841 125.031 121.223 -0.054 0.000 2.278 174 L HA 0.296 4.634 4.340 -0.003 0.000 0.287 174 L C -0.456 176.314 176.870 -0.166 0.000 1.072 174 L CA -0.461 54.275 54.840 -0.174 0.000 0.819 174 L CB 0.911 42.848 42.059 -0.202 0.000 1.176 174 L HN 0.386 nan 8.230 nan 0.000 0.435 175 V N 4.343 124.007 119.914 -0.417 0.000 2.481 175 V HA 0.425 4.544 4.120 -0.003 0.000 0.286 175 V C -0.524 175.221 176.094 -0.582 0.000 1.042 175 V CA -0.393 61.691 62.300 -0.360 0.000 0.928 175 V CB 1.409 32.937 31.823 -0.492 0.000 0.986 175 V HN 0.442 nan 8.190 nan 0.000 0.462 176 Y N 2.718 123.021 120.300 0.005 0.000 2.638 176 Y HA 0.630 5.178 4.550 -0.003 0.000 0.339 176 Y C -0.840 175.181 175.900 0.201 0.000 1.084 176 Y CA -0.959 57.171 58.100 0.051 0.000 1.068 176 Y CB 1.989 40.402 38.460 -0.078 0.000 1.294 176 Y HN 0.589 nan 8.280 nan 0.000 0.480 177 Y N 1.090 121.556 120.300 0.277 0.000 2.425 177 Y HA 0.685 5.233 4.550 -0.003 0.000 0.344 177 Y C -1.196 174.846 175.900 0.236 0.000 0.969 177 Y CA -1.358 56.887 58.100 0.242 0.000 1.052 177 Y CB 1.401 39.983 38.460 0.204 0.000 1.215 177 Y HN 0.548 nan 8.280 nan 0.000 0.451 178 R N 3.581 123.737 120.500 -0.573 0.000 2.437 178 R HA 0.353 4.691 4.340 -0.003 0.000 0.310 178 R C 0.389 176.014 176.300 -1.125 0.000 0.955 178 R CA -0.547 55.072 56.100 -0.801 0.000 0.851 178 R CB 1.907 31.820 30.300 -0.644 0.000 1.161 178 R HN 0.820 nan 8.270 nan 0.000 0.446 179 S N 0.902 115.980 115.700 -1.036 0.000 2.428 179 S HA -0.107 4.361 4.470 -0.003 0.000 0.230 179 S C 0.277 174.660 174.600 -0.361 0.000 1.014 179 S CA 1.047 58.931 58.200 -0.527 0.000 0.957 179 S CB -0.052 63.016 63.200 -0.220 0.000 0.784 179 S HN 0.655 nan 8.310 nan 0.000 0.499 180 D N -0.647 119.497 120.400 -0.425 0.000 2.756 180 D HA 0.203 4.841 4.640 -0.003 0.000 0.226 180 D C 0.591 176.727 176.300 -0.273 0.000 1.186 180 D CA -0.545 53.304 54.000 -0.253 0.000 0.845 180 D CB 1.175 41.857 40.800 -0.196 0.000 1.610 180 D HN 0.069 nan 8.370 nan 0.000 0.465 181 E N 1.279 121.389 120.200 -0.150 0.000 2.267 181 E HA -0.204 4.145 4.350 -0.003 0.000 0.197 181 E C 0.167 176.635 176.600 -0.220 0.000 0.998 181 E CA 0.978 57.299 56.400 -0.130 0.000 0.830 181 E CB 0.031 29.721 29.700 -0.017 0.000 0.751 181 E HN 0.361 nan 8.360 nan 0.000 0.491 182 D N 1.144 121.411 120.400 -0.221 0.000 2.340 182 D HA 0.032 4.670 4.640 -0.003 0.000 0.220 182 D C -0.271 175.857 176.300 -0.286 0.000 1.039 182 D CA 0.205 54.057 54.000 -0.248 0.000 0.866 182 D CB -0.094 40.578 40.800 -0.212 0.000 0.913 182 D HN 0.135 nan 8.370 nan 0.000 0.523 183 D N 0.231 120.402 120.400 -0.381 0.000 2.400 183 D HA -0.019 4.619 4.640 -0.003 0.000 0.238 183 D C 0.194 176.233 176.300 -0.434 0.000 1.157 183 D CA 0.329 54.027 54.000 -0.503 0.000 0.889 183 D CB 0.839 41.186 40.800 -0.755 0.000 1.199 183 D HN -0.199 nan 8.370 nan 0.000 0.436 184 S N 0.502 115.962 115.700 -0.401 0.000 2.439 184 S HA 0.019 4.487 4.470 -0.003 0.000 0.282 184 S C 1.229 175.772 174.600 -0.095 0.000 1.170 184 S CA -0.616 57.454 58.200 -0.218 0.000 1.054 184 S CB 0.462 63.570 63.200 -0.154 0.000 0.956 184 S HN 0.381 nan 8.310 nan 0.000 0.490 185 Q N 4.299 123.933 119.800 -0.276 0.000 2.436 185 Q HA -0.121 4.217 4.340 -0.003 0.000 0.209 185 Q C 0.318 176.211 176.000 -0.177 0.000 0.965 185 Q CA 1.370 57.011 55.803 -0.270 0.000 0.910 185 Q CB -0.405 28.008 28.738 -0.543 0.000 0.980 185 Q HN 0.899 nan 8.270 nan 0.000 0.491 186 Y N 1.891 122.185 120.300 -0.010 0.000 2.571 186 Y HA -0.052 4.496 4.550 -0.003 0.000 0.294 186 Y C 2.553 178.670 175.900 0.361 0.000 1.141 186 Y CA 1.087 59.225 58.100 0.065 0.000 1.308 186 Y CB 0.126 38.615 38.460 0.048 0.000 1.002 186 Y HN 0.329 nan 8.280 nan 0.000 0.551 187 S N -1.574 114.402 115.700 0.459 0.000 2.561 187 S HA -0.089 4.380 4.470 -0.003 0.000 0.225 187 S C 0.217 174.877 174.600 0.100 0.000 0.977 187 S CA 0.643 59.059 58.200 0.359 0.000 0.926 187 S CB -0.453 62.863 63.200 0.193 0.000 0.769 187 S HN 0.471 nan 8.310 nan 0.000 0.533 188 H N 1.839 120.999 119.070 0.151 0.000 2.535 188 H HA 0.417 4.971 4.556 -0.003 0.000 0.232 188 H C -2.839 172.614 175.328 0.208 0.000 1.405 188 H CA -1.895 54.234 56.048 0.135 0.000 1.224 188 H CB 0.544 30.373 29.762 0.112 0.000 1.763 188 H HN 0.334 nan 8.280 nan 0.000 0.529 189 P HA 0.014 nan 4.420 nan 0.000 0.271 189 P C 0.081 177.227 177.300 -0.257 0.000 1.218 189 P CA 0.027 63.004 63.100 -0.205 0.000 0.780 189 P CB 1.700 33.256 31.700 -0.240 0.000 0.901 190 L N 1.986 122.985 121.223 -0.373 0.000 2.448 190 L HA 0.243 4.581 4.340 -0.003 0.000 0.258 190 L C 1.767 178.422 176.870 -0.358 0.000 1.104 190 L CA -0.459 54.179 54.840 -0.337 0.000 0.800 190 L CB 0.468 42.269 42.059 -0.429 0.000 1.241 190 L HN 0.367 nan 8.230 nan 0.000 0.472 191 D N -0.678 119.622 120.400 -0.168 0.000 2.348 191 D HA -0.023 4.615 4.640 -0.003 0.000 0.211 191 D C 0.070 176.518 176.300 0.247 0.000 0.998 191 D CA 0.245 54.256 54.000 0.018 0.000 0.873 191 D CB -0.050 40.796 40.800 0.076 0.000 0.925 191 D HN 0.251 nan 8.370 nan 0.000 0.524 192 F N -0.989 119.019 119.950 0.097 0.000 2.575 192 F HA 0.640 5.165 4.527 -0.003 0.000 0.330 192 F C -0.722 175.104 175.800 0.043 0.000 1.056 192 F CA -2.002 56.042 58.000 0.073 0.000 0.964 192 F CB 1.433 40.447 39.000 0.024 0.000 1.258 192 F HN -0.139 nan 8.300 nan 0.000 0.484 193 C N 3.619 123.059 119.300 0.234 0.000 2.654 193 C HA 0.584 5.042 4.460 -0.003 0.000 0.315 193 C C -2.836 172.259 174.990 0.175 0.000 1.054 193 C CA -2.027 57.042 59.018 0.084 0.000 1.419 193 C CB 0.015 27.750 27.740 -0.009 0.000 1.889 193 C HN 0.660 nan 8.230 nan 0.000 0.447 194 P HA 0.269 nan 4.420 nan 0.000 0.271 194 P C -0.622 176.733 177.300 0.093 0.000 1.216 194 P CA 0.065 63.258 63.100 0.154 0.000 0.776 194 P CB 0.399 32.191 31.700 0.154 0.000 0.881 195 I N 3.456 124.072 120.570 0.077 0.000 2.339 195 I HA 0.279 4.448 4.170 -0.003 0.000 0.290 195 I C -0.144 175.929 176.117 -0.074 0.000 0.994 195 I CA -0.653 60.635 61.300 -0.019 0.000 1.191 195 I CB 1.293 39.235 38.000 -0.096 0.000 1.343 195 I HN 0.031 nan 8.210 nan 0.000 0.458 196 V N 5.044 124.912 119.914 -0.077 0.000 2.495 196 V HA 0.278 4.396 4.120 -0.003 0.000 0.298 196 V C -0.007 176.030 176.094 -0.095 0.000 1.031 196 V CA -0.811 61.452 62.300 -0.061 0.000 0.871 196 V CB 2.259 34.078 31.823 -0.007 0.000 0.988 196 V HN 0.631 nan 8.190 nan 0.000 0.432 197 D N 3.174 123.513 120.400 -0.101 0.000 2.339 197 D HA 0.097 4.735 4.640 -0.003 0.000 0.256 197 D C 1.173 177.444 176.300 -0.049 0.000 1.214 197 D CA 0.193 54.136 54.000 -0.095 0.000 0.877 197 D CB 1.827 42.570 40.800 -0.095 0.000 1.111 197 D HN 0.607 nan 8.370 nan 0.000 0.478 198 T N 3.428 117.960 114.554 -0.037 0.000 2.788 198 T HA -0.121 4.227 4.350 -0.003 0.000 0.268 198 T C 1.353 176.043 174.700 -0.016 0.000 1.044 198 T CA 0.925 63.017 62.100 -0.014 0.000 1.139 198 T CB 0.255 69.122 68.868 -0.001 0.000 0.867 198 T HN 0.422 nan 8.240 nan 0.000 0.454 199 E N 0.712 120.898 120.200 -0.024 0.000 2.190 199 E HA 0.038 4.386 4.350 -0.003 0.000 0.191 199 E C 2.194 178.781 176.600 -0.022 0.000 0.978 199 E CA 0.559 56.945 56.400 -0.024 0.000 0.839 199 E CB -0.040 29.642 29.700 -0.029 0.000 0.787 199 E HN 0.423 nan 8.360 nan 0.000 0.473 200 E N 0.776 120.961 120.200 -0.025 0.000 2.442 200 E HA -0.009 4.339 4.350 -0.003 0.000 0.195 200 E C -0.011 176.578 176.600 -0.017 0.000 1.030 200 E CA 0.108 56.496 56.400 -0.021 0.000 0.869 200 E CB 0.194 29.879 29.700 -0.025 0.000 0.857 200 E HN 0.074 nan 8.360 nan 0.000 0.505 201 K N 0.828 121.218 120.400 -0.017 0.000 3.150 201 K HA -0.219 4.099 4.320 -0.003 0.000 0.267 201 K C -0.192 176.402 176.600 -0.011 0.000 1.028 201 K CA 0.821 57.102 56.287 -0.010 0.000 0.753 201 K CB -2.064 30.433 32.500 -0.005 0.000 1.288 201 K HN 0.380 nan 8.250 nan 0.000 0.473 202 K N -2.778 117.611 120.400 -0.018 0.000 2.508 202 K HA 0.549 4.868 4.320 -0.003 0.000 0.260 202 K C -0.327 176.258 176.600 -0.025 0.000 0.949 202 K CA -1.135 55.142 56.287 -0.017 0.000 0.834 202 K CB 1.730 34.221 32.500 -0.015 0.000 1.365 202 K HN -0.130 nan 8.250 nan 0.000 0.437 203 V N 3.722 123.628 119.914 -0.014 0.000 2.555 203 V HA 0.105 4.223 4.120 -0.003 0.000 0.286 203 V C 1.098 177.183 176.094 -0.015 0.000 1.044 203 V CA -0.042 62.251 62.300 -0.013 0.000 1.026 203 V CB 0.338 32.161 31.823 0.001 0.000 0.981 203 V HN 0.884 nan 8.190 nan 0.000 0.480 204 I N 1.409 121.962 120.570 -0.029 0.000 4.187 204 I HA 0.544 4.712 4.170 -0.003 0.000 0.326 204 I C 0.125 176.344 176.117 0.170 0.000 1.302 204 I CA 0.453 61.755 61.300 0.004 0.000 1.196 204 I CB 0.492 38.416 38.000 -0.126 0.000 1.095 204 I HN 0.457 nan 8.210 nan 0.000 0.411 205 F N 1.013 120.941 119.950 -0.037 0.000 2.725 205 F HA 0.627 5.152 4.527 -0.003 0.000 0.309 205 F C -1.877 173.961 175.800 0.063 0.000 1.132 205 F CA -0.881 57.159 58.000 0.066 0.000 0.957 205 F CB 1.872 41.002 39.000 0.216 0.000 1.286 205 F HN -0.252 nan 8.300 nan 0.000 0.440 206 I N 3.655 123.994 120.570 -0.384 0.000 2.478 206 I HA 0.275 4.444 4.170 -0.003 0.000 0.287 206 I C -1.292 174.772 176.117 -0.089 0.000 1.042 206 I CA -0.834 60.402 61.300 -0.107 0.000 1.067 206 I CB 1.709 39.635 38.000 -0.124 0.000 1.233 206 I HN 0.358 nan 8.210 nan 0.000 0.431 207 D N 7.551 128.111 120.400 0.267 0.000 2.371 207 D HA 0.392 5.030 4.640 -0.003 0.000 0.256 207 D C -0.265 176.170 176.300 0.224 0.000 1.193 207 D CA 0.486 54.694 54.000 0.346 0.000 0.881 207 D CB 1.426 42.470 40.800 0.407 0.000 1.143 207 D HN 0.299 nan 8.370 nan 0.000 0.473 208 I N 4.528 125.193 120.570 0.159 0.000 2.436 208 I HA 0.225 4.393 4.170 -0.003 0.000 0.289 208 I C -1.982 174.215 176.117 0.132 0.000 1.010 208 I CA -1.928 59.449 61.300 0.128 0.000 1.098 208 I CB 2.190 40.199 38.000 0.014 0.000 1.266 208 I HN 0.098 nan 8.210 nan 0.000 0.434 209 P HA 0.232 nan 4.420 nan 0.000 0.274 209 P C -0.103 177.253 177.300 0.094 0.000 1.231 209 P CA -0.371 62.816 63.100 0.144 0.000 0.790 209 P CB 0.927 32.746 31.700 0.198 0.000 0.951 210 N N 0.727 119.472 118.700 0.075 0.000 2.069 210 N HA -0.131 4.608 4.740 -0.003 0.000 0.191 210 N C 0.961 176.501 175.510 0.051 0.000 1.031 210 N CA 1.140 54.218 53.050 0.048 0.000 0.852 210 N CB -0.092 38.417 38.487 0.038 0.000 1.018 210 N HN 0.470 nan 8.380 nan 0.000 0.423 211 R N 1.913 122.455 120.500 0.070 0.000 2.198 211 R HA 0.125 4.463 4.340 -0.003 0.000 0.339 211 R C -0.565 175.779 176.300 0.073 0.000 1.020 211 R CA -0.543 55.596 56.100 0.064 0.000 0.864 211 R CB 0.534 30.878 30.300 0.072 0.000 1.105 211 R HN -0.086 nan 8.270 nan 0.000 0.463 212 R N 3.265 123.796 120.500 0.052 0.000 2.539 212 R HA 0.226 4.564 4.340 -0.003 0.000 0.275 212 R C -0.366 175.955 176.300 0.035 0.000 1.077 212 R CA -0.436 55.695 56.100 0.052 0.000 1.097 212 R CB 0.629 30.949 30.300 0.033 0.000 1.018 212 R HN 0.528 nan 8.270 nan 0.000 0.483 213 R N 1.317 121.834 120.500 0.028 0.000 2.473 213 R HA 0.276 4.615 4.340 -0.003 0.000 0.303 213 R C -0.395 175.894 176.300 -0.018 0.000 1.002 213 R CA -0.426 55.667 56.100 -0.011 0.000 0.884 213 R CB 1.723 31.992 30.300 -0.051 0.000 1.173 213 R HN 0.382 nan 8.270 nan 0.000 0.464 214 K N 0.859 121.247 120.400 -0.020 0.000 2.180 214 K HA 0.188 4.506 4.320 -0.003 0.000 0.251 214 K C 0.083 176.652 176.600 -0.051 0.000 1.014 214 K CA -0.556 55.715 56.287 -0.026 0.000 0.913 214 K CB 1.008 33.490 32.500 -0.030 0.000 1.008 214 K HN 0.197 nan 8.250 nan 0.000 0.490 215 V N 1.855 121.731 119.914 -0.064 0.000 2.720 215 V HA -0.096 4.022 4.120 -0.003 0.000 0.307 215 V C 0.317 176.382 176.094 -0.050 0.000 1.071 215 V CA 0.507 62.761 62.300 -0.077 0.000 1.199 215 V CB 1.243 32.960 31.823 -0.177 0.000 0.900 215 V HN 0.836 nan 8.190 nan 0.000 0.494 216 S N 5.684 121.356 115.700 -0.047 0.000 2.552 216 S HA 0.102 4.570 4.470 -0.003 0.000 0.289 216 S C 0.912 175.566 174.600 0.090 0.000 1.304 216 S CA -0.275 57.898 58.200 -0.046 0.000 1.063 216 S CB 0.355 63.380 63.200 -0.290 0.000 0.848 216 S HN 0.800 nan 8.310 nan 0.000 0.499 217 K N 3.071 123.471 120.400 -0.000 0.000 2.404 217 K HA 0.102 4.420 4.320 -0.003 0.000 0.194 217 K C 0.185 176.791 176.600 0.011 0.000 1.023 217 K CA 0.262 56.549 56.287 0.000 0.000 1.094 217 K CB -0.423 32.019 32.500 -0.097 0.000 0.841 217 K HN 0.712 nan 8.250 nan 0.000 0.523 218 H N 1.335 120.497 119.070 0.153 0.000 2.757 218 H HA 0.070 4.624 4.556 -0.003 0.000 0.370 218 H C 0.355 175.890 175.328 0.344 0.000 1.172 218 H CA 0.402 56.560 56.048 0.183 0.000 1.426 218 H CB 0.593 30.405 29.762 0.083 0.000 1.438 218 H HN -0.176 nan 8.280 nan 0.000 0.612 219 K N 1.385 122.044 120.400 0.430 0.000 2.414 219 K HA -0.000 4.318 4.320 -0.003 0.000 0.272 219 K C -0.343 176.534 176.600 0.460 0.000 0.993 219 K CA -0.018 56.493 56.287 0.373 0.000 0.964 219 K CB 0.226 32.900 32.500 0.290 0.000 0.925 219 K HN 0.544 nan 8.250 nan 0.000 0.487 220 H N 0.091 119.275 119.070 0.189 0.000 2.871 220 H HA 0.069 4.624 4.556 -0.003 0.000 0.355 220 H C -0.098 175.211 175.328 -0.032 0.000 1.092 220 H CA 0.318 56.421 56.048 0.092 0.000 1.420 220 H CB 0.663 30.328 29.762 -0.161 0.000 1.400 220 H HN 0.636 nan 8.280 nan 0.000 0.604 221 A N 4.356 127.085 122.820 -0.152 0.000 2.527 221 A HA 0.205 4.523 4.320 -0.003 0.000 0.313 221 A C -0.049 177.363 177.584 -0.286 0.000 1.410 221 A CA -0.651 51.170 52.037 -0.360 0.000 1.060 221 A CB -0.508 18.017 19.000 -0.791 0.000 1.137 221 A HN 0.656 nan 8.150 nan 0.000 0.542 222 N N 0.832 119.381 118.700 -0.252 0.000 2.483 222 N HA 0.673 5.411 4.740 -0.003 0.000 0.285 222 N C -0.163 175.253 175.510 -0.157 0.000 1.210 222 N CA -0.424 52.354 53.050 -0.453 0.000 0.931 222 N CB 1.254 39.155 38.487 -0.978 0.000 1.220 222 N HN 0.576 nan 8.380 nan 0.000 0.542 223 F N -2.331 117.614 119.950 -0.009 0.000 2.974 223 F HA 0.444 4.969 4.527 -0.003 0.000 0.357 223 F C -0.486 175.369 175.800 0.091 0.000 1.114 223 F CA -0.770 57.242 58.000 0.020 0.000 1.099 223 F CB -0.602 38.328 39.000 -0.117 0.000 1.205 223 F HN 0.179 nan 8.300 nan 0.000 0.535 224 Y N 2.568 123.038 120.300 0.283 0.000 2.314 224 Y HA 0.359 4.907 4.550 -0.003 0.000 0.334 224 Y C -1.025 174.920 175.900 0.076 0.000 1.266 224 Y CA -1.671 56.539 58.100 0.183 0.000 1.391 224 Y CB 0.132 38.603 38.460 0.019 0.000 1.306 224 Y HN -0.231 nan 8.280 nan 0.000 0.558 225 P HA -0.292 nan 4.420 nan 0.000 0.217 225 P C 1.133 178.447 177.300 0.024 0.000 1.158 225 P CA 2.879 66.026 63.100 0.079 0.000 0.887 225 P CB 0.122 31.860 31.700 0.064 0.000 0.792 226 K N -1.069 119.289 120.400 -0.069 0.000 2.103 226 K HA -0.216 4.102 4.320 -0.003 0.000 0.207 226 K C 1.758 178.287 176.600 -0.119 0.000 1.048 226 K CA 1.797 57.997 56.287 -0.145 0.000 0.930 226 K CB -1.243 31.106 32.500 -0.251 0.000 0.716 226 K HN 0.279 nan 8.250 nan 0.000 0.444 227 H N 0.124 119.217 119.070 0.037 0.000 2.357 227 H HA 0.057 4.611 4.556 -0.003 0.000 0.301 227 H C 2.146 177.499 175.328 0.042 0.000 1.082 227 H CA 1.464 57.526 56.048 0.024 0.000 1.342 227 H CB 0.031 29.795 29.762 0.004 0.000 1.389 227 H HN 0.076 nan 8.280 nan 0.000 0.511 228 M N 0.175 119.876 119.600 0.169 0.000 2.229 228 M HA -0.094 4.384 4.480 -0.003 0.000 0.264 228 M C 2.258 178.607 176.300 0.081 0.000 1.063 228 M CA 1.196 56.566 55.300 0.117 0.000 1.114 228 M CB -0.621 32.040 32.600 0.101 0.000 1.387 228 M HN 0.316 nan 8.290 nan 0.000 0.420 229 I N -0.024 120.583 120.570 0.061 0.000 2.226 229 I HA -0.281 3.888 4.170 -0.003 0.000 0.245 229 I C 2.399 178.545 176.117 0.048 0.000 1.100 229 I CA 1.195 62.520 61.300 0.042 0.000 1.374 229 I CB -0.348 37.666 38.000 0.022 0.000 1.057 229 I HN 0.351 nan 8.210 nan 0.000 0.413 230 E N 0.615 120.850 120.200 0.058 0.000 2.110 230 E HA -0.280 4.068 4.350 -0.003 0.000 0.193 230 E C 2.117 178.762 176.600 0.075 0.000 0.988 230 E CA 1.241 57.681 56.400 0.065 0.000 0.804 230 E CB -0.036 29.712 29.700 0.080 0.000 0.745 230 E HN 0.409 nan 8.360 nan 0.000 0.458 231 K N 0.679 121.132 120.400 0.089 0.000 2.044 231 K HA -0.083 4.235 4.320 -0.003 0.000 0.204 231 K C 1.908 178.554 176.600 0.076 0.000 1.049 231 K CA 1.338 57.680 56.287 0.092 0.000 0.945 231 K CB 0.363 32.926 32.500 0.106 0.000 0.724 231 K HN 0.102 nan 8.250 nan 0.000 0.440 232 V N -3.850 116.104 119.914 0.067 0.000 3.477 232 V HA 0.496 4.614 4.120 -0.003 0.000 0.297 232 V C 0.781 176.902 176.094 0.045 0.000 1.433 232 V CA 0.357 62.690 62.300 0.055 0.000 1.052 232 V CB 0.294 32.149 31.823 0.053 0.000 0.895 232 V HN 0.484 nan 8.190 nan 0.000 0.438 233 G N 0.304 109.130 108.800 0.044 0.000 2.527 233 G HA2 0.132 4.090 3.960 -0.003 0.000 0.218 233 G HA3 0.132 4.090 3.960 -0.003 0.000 0.218 233 G C 0.365 175.283 174.900 0.030 0.000 1.177 233 G CA -0.002 45.119 45.100 0.035 0.000 0.695 233 G HN 2.053 nan 8.290 nan 0.000 0.517 234 A N 0.167 123.005 122.820 0.030 0.000 2.604 234 A HA 0.766 5.085 4.320 -0.003 0.000 0.295 234 A C -0.225 177.375 177.584 0.027 0.000 1.067 234 A CA -0.192 51.860 52.037 0.025 0.000 0.683 234 A CB 0.947 19.959 19.000 0.020 0.000 1.281 234 A HN 0.543 nan 8.150 nan 0.000 0.407 235 M N 1.257 120.872 119.600 0.024 0.000 2.228 235 M HA 0.305 4.784 4.480 -0.003 0.000 0.326 235 M C 0.720 177.030 176.300 0.017 0.000 1.122 235 M CA 0.093 55.407 55.300 0.023 0.000 1.161 235 M CB 0.170 32.782 32.600 0.021 0.000 1.437 235 M HN 0.772 nan 8.290 nan 0.000 0.465 236 R N 1.046 121.555 120.500 0.015 0.000 2.679 236 R HA 0.214 4.552 4.340 -0.003 0.000 0.268 236 R C -2.043 174.262 176.300 0.009 0.000 1.044 236 R CA -1.214 54.892 56.100 0.011 0.000 1.105 236 R CB -0.699 29.606 30.300 0.008 0.000 0.989 236 R HN 0.385 nan 8.270 nan 0.000 0.447 237 P HA -0.062 nan 4.420 nan 0.000 0.267 237 P C -0.564 176.738 177.300 0.005 0.000 1.200 237 P CA -0.091 63.013 63.100 0.006 0.000 0.772 237 P CB 0.452 32.155 31.700 0.006 0.000 0.855 238 E N 1.504 121.707 120.200 0.004 0.000 2.465 238 E HA 0.244 4.593 4.350 -0.003 0.000 0.260 238 E C -0.317 176.284 176.600 0.002 0.000 0.980 238 E CA 0.047 56.449 56.400 0.003 0.000 0.927 238 E CB 0.013 29.715 29.700 0.003 0.000 0.934 238 E HN 0.471 nan 8.360 nan 0.000 0.459 239 A N 5.864 128.684 122.820 -0.000 0.000 2.386 239 A HA 0.411 4.729 4.320 -0.003 0.000 0.248 239 A C -1.981 175.602 177.584 -0.001 0.000 1.082 239 A CA -1.209 50.828 52.037 -0.001 0.000 0.789 239 A CB -0.298 18.700 19.000 -0.003 0.000 1.025 239 A HN 0.657 nan 8.150 nan 0.000 0.490 240 P HA 0.236 nan 4.420 nan 0.000 0.266 240 P C -2.443 174.856 177.300 -0.001 0.000 1.195 240 P CA -0.643 62.457 63.100 -0.000 0.000 0.768 240 P CB -0.343 31.357 31.700 -0.000 0.000 0.838 241 P HA 0.314 nan 4.420 nan 0.000 0.277 241 P C -0.531 176.768 177.300 -0.001 0.000 1.240 241 P CA -0.098 63.001 63.100 -0.001 0.000 0.798 241 P CB 0.938 32.638 31.700 -0.000 0.000 0.979 242 I N 2.657 123.225 120.570 -0.002 0.000 2.359 242 I HA 0.218 4.387 4.170 -0.003 0.000 0.284 242 I C 0.044 176.161 176.117 -0.000 0.000 1.018 242 I CA -0.578 60.721 61.300 -0.002 0.000 1.173 242 I CB 0.629 38.626 38.000 -0.004 0.000 1.326 242 I HN 0.137 nan 8.210 nan 0.000 0.462 243 N N 6.253 124.954 118.700 0.002 0.000 2.422 243 N HA 0.348 5.086 4.740 -0.003 0.000 0.266 243 N C -0.691 174.823 175.510 0.006 0.000 1.007 243 N CA -0.313 52.739 53.050 0.003 0.000 0.941 243 N CB 2.545 41.034 38.487 0.004 0.000 1.115 243 N HN 0.187 nan 8.380 nan 0.000 0.492 244 V N 2.093 122.012 119.914 0.008 0.000 2.357 244 V HA 0.444 4.563 4.120 -0.003 0.000 0.284 244 V C 0.335 176.440 176.094 0.017 0.000 1.018 244 V CA -0.626 61.683 62.300 0.015 0.000 0.841 244 V CB 1.114 32.948 31.823 0.019 0.000 0.991 244 V HN 0.744 nan 8.190 nan 0.000 0.437 245 T N 2.013 116.578 114.554 0.019 0.000 2.912 245 T HA 0.663 5.011 4.350 -0.003 0.000 0.288 245 T C -0.543 174.171 174.700 0.024 0.000 1.030 245 T CA -0.831 61.280 62.100 0.018 0.000 1.020 245 T CB 2.168 71.043 68.868 0.012 0.000 1.056 245 T HN 0.530 nan 8.240 nan 0.000 0.480 246 Q N 1.624 121.437 119.800 0.021 0.000 2.965 246 Q HA 0.259 4.597 4.340 -0.003 0.000 0.288 246 Q C -1.813 174.191 176.000 0.007 0.000 0.974 246 Q CA -1.906 53.910 55.803 0.021 0.000 0.849 246 Q CB 1.362 30.117 28.738 0.029 0.000 1.280 246 Q HN 0.579 nan 8.270 nan 0.000 0.441 247 P HA -0.151 nan 4.420 nan 0.000 0.223 247 P C 0.006 177.303 177.300 -0.005 0.000 1.151 247 P CA 1.065 64.166 63.100 0.001 0.000 0.787 247 P CB 0.466 32.168 31.700 0.003 0.000 0.788 248 E N -0.229 119.967 120.200 -0.006 0.000 2.569 248 E HA 0.370 4.718 4.350 -0.003 0.000 0.205 248 E C 0.877 177.461 176.600 -0.027 0.000 1.006 248 E CA -0.102 56.290 56.400 -0.013 0.000 0.985 248 E CB 0.239 29.934 29.700 -0.008 0.000 1.060 248 E HN 0.170 nan 8.360 nan 0.000 0.460 249 G N 0.867 109.647 108.800 -0.033 0.000 2.584 249 G HA2 -0.261 3.697 3.960 -0.003 0.000 0.229 249 G HA3 -0.261 3.697 3.960 -0.003 0.000 0.229 249 G C -0.090 174.760 174.900 -0.084 0.000 1.320 249 G CA -0.385 44.675 45.100 -0.067 0.000 0.891 249 G HN 0.480 nan 8.290 nan 0.000 0.573 250 V N -3.371 116.436 119.914 -0.177 0.000 3.113 250 V HA 0.906 5.024 4.120 -0.003 0.000 0.316 250 V C 1.299 177.278 176.094 -0.192 0.000 1.125 250 V CA 0.845 63.010 62.300 -0.227 0.000 1.026 250 V CB 1.461 32.927 31.823 -0.594 0.000 1.080 250 V HN 2.339 nan 8.190 nan 0.000 0.444 251 S N 0.679 116.357 115.700 -0.037 0.000 2.503 251 S HA 0.219 4.687 4.470 -0.003 0.000 0.215 251 S C 0.582 175.279 174.600 0.162 0.000 1.003 251 S CA 0.072 58.312 58.200 0.068 0.000 0.910 251 S CB -0.598 62.692 63.200 0.150 0.000 0.790 251 S HN 1.111 nan 8.310 nan 0.000 0.514 252 F N 1.689 121.796 119.950 0.261 0.000 2.406 252 F HA 0.718 5.243 4.527 -0.003 0.000 0.327 252 F C -0.064 175.773 175.800 0.061 0.000 1.153 252 F CA -1.133 56.998 58.000 0.217 0.000 1.218 252 F CB 0.573 39.649 39.000 0.126 0.000 1.215 252 F HN -0.040 nan 8.300 nan 0.000 0.570 253 K N 3.842 124.404 120.400 0.271 0.000 2.507 253 K HA 0.399 4.717 4.320 -0.003 0.000 0.251 253 K C -1.569 175.072 176.600 0.069 0.000 0.943 253 K CA -0.834 55.518 56.287 0.108 0.000 0.794 253 K CB 1.346 33.867 32.500 0.035 0.000 1.188 253 K HN 0.736 nan 8.250 nan 0.000 0.428 254 M N 2.460 122.071 119.600 0.018 0.000 2.404 254 M HA 0.297 4.776 4.480 -0.003 0.000 0.338 254 M C -0.647 175.615 176.300 -0.064 0.000 1.150 254 M CA -0.461 54.764 55.300 -0.126 0.000 1.016 254 M CB 1.637 34.014 32.600 -0.372 0.000 1.672 254 M HN 0.524 nan 8.290 nan 0.000 0.448 255 T N 2.054 116.565 114.554 -0.071 0.000 2.934 255 T HA 0.549 4.898 4.350 -0.003 0.000 0.328 255 T C 0.773 175.468 174.700 -0.008 0.000 1.068 255 T CA 0.197 62.291 62.100 -0.010 0.000 1.018 255 T CB 1.177 70.053 68.868 0.014 0.000 1.009 255 T HN 1.017 nan 8.240 nan 0.000 0.471 256 G N 4.350 113.158 108.800 0.015 0.000 2.634 256 G HA2 -0.349 3.609 3.960 -0.003 0.000 0.318 256 G HA3 -0.349 3.609 3.960 -0.003 0.000 0.318 256 G C 0.820 175.678 174.900 -0.069 0.000 1.207 256 G CA 0.390 45.502 45.100 0.020 0.000 0.987 256 G HN 0.607 nan 8.290 nan 0.000 0.547 257 N N 0.553 119.174 118.700 -0.131 0.000 2.280 257 N HA 0.213 4.951 4.740 -0.003 0.000 0.192 257 N C 0.334 175.575 175.510 -0.449 0.000 1.109 257 N CA 0.541 53.392 53.050 -0.332 0.000 0.855 257 N CB 1.009 39.191 38.487 -0.510 0.000 0.974 257 N HN 0.350 nan 8.380 nan 0.000 0.482 258 V N 2.398 122.146 119.914 -0.276 0.000 2.461 258 V HA 0.219 4.337 4.120 -0.003 0.000 0.275 258 V C 0.284 176.177 176.094 -0.334 0.000 1.047 258 V CA -0.522 61.625 62.300 -0.255 0.000 0.955 258 V CB 1.265 33.059 31.823 -0.049 0.000 0.988 258 V HN 0.097 nan 8.190 nan 0.000 0.471 259 M N 5.296 124.551 119.600 -0.574 0.000 2.363 259 M HA 0.513 4.991 4.480 -0.003 0.000 0.343 259 M C -0.537 175.484 176.300 -0.464 0.000 1.165 259 M CA 0.107 55.011 55.300 -0.660 0.000 1.046 259 M CB 1.177 33.005 32.600 -1.285 0.000 1.648 259 M HN 0.659 nan 8.290 nan 0.000 0.452 260 E N 3.686 123.776 120.200 -0.183 0.000 2.241 260 E HA 0.496 4.844 4.350 -0.003 0.000 0.263 260 E C -2.214 174.488 176.600 0.170 0.000 0.882 260 E CA -0.286 56.100 56.400 -0.024 0.000 0.769 260 E CB 1.732 31.423 29.700 -0.014 0.000 1.185 260 E HN 0.762 nan 8.360 nan 0.000 0.415 261 W N 2.589 123.894 121.300 0.008 0.000 3.827 261 W HA 0.190 4.848 4.660 -0.003 0.000 0.307 261 W C -0.304 176.313 176.519 0.164 0.000 1.204 261 W CA -0.421 56.985 57.345 0.102 0.000 1.250 261 W CB 1.427 30.962 29.460 0.125 0.000 1.281 261 W HN 0.449 nan 8.180 nan 0.000 0.494 262 S N 5.003 120.274 115.700 -0.715 0.000 3.491 262 S HA -0.330 4.138 4.470 -0.003 0.000 0.371 262 S C 0.864 175.169 174.600 -0.491 0.000 0.980 262 S CA 2.000 59.718 58.200 -0.804 0.000 1.204 262 S CB -1.359 60.897 63.200 -1.572 0.000 0.915 262 S HN 1.050 nan 8.310 nan 0.000 0.482 263 N N -2.399 116.044 118.700 -0.428 0.000 2.967 263 N HA -0.181 4.558 4.740 -0.003 0.000 0.218 263 N C -0.092 175.091 175.510 -0.546 0.000 0.870 263 N CA 1.782 54.447 53.050 -0.642 0.000 1.030 263 N CB -1.608 36.151 38.487 -1.213 0.000 1.027 263 N HN 0.580 nan 8.380 nan 0.000 0.603 264 F N 1.629 121.513 119.950 -0.110 0.000 2.459 264 F HA 0.344 4.869 4.527 -0.003 0.000 0.346 264 F C 1.072 176.929 175.800 0.095 0.000 1.128 264 F CA 0.434 58.527 58.000 0.156 0.000 1.268 264 F CB 0.705 39.961 39.000 0.426 0.000 1.161 264 F HN -0.163 nan 8.300 nan 0.000 0.583 265 K N 4.165 124.787 120.400 0.369 0.000 2.482 265 K HA 0.602 4.920 4.320 -0.003 0.000 0.251 265 K C -1.715 175.066 176.600 0.301 0.000 0.936 265 K CA -0.522 55.864 56.287 0.164 0.000 0.791 265 K CB 1.513 34.068 32.500 0.093 0.000 1.213 265 K HN 0.524 nan 8.250 nan 0.000 0.428 266 F N -0.369 119.596 119.950 0.024 0.000 2.741 266 F HA 0.396 4.921 4.527 -0.003 0.000 0.313 266 F C -1.458 174.332 175.800 -0.018 0.000 1.153 266 F CA -1.175 56.836 58.000 0.019 0.000 0.931 266 F CB 0.976 39.956 39.000 -0.033 0.000 1.335 266 F HN 0.415 nan 8.300 nan 0.000 0.460 267 H N 2.420 121.552 119.070 0.102 0.000 2.488 267 H HA 0.545 5.099 4.556 -0.003 0.000 0.322 267 H C -1.145 174.187 175.328 0.008 0.000 1.078 267 H CA -0.598 55.395 56.048 -0.093 0.000 1.260 267 H CB 1.496 31.125 29.762 -0.222 0.000 1.425 267 H HN 0.732 nan 8.280 nan 0.000 0.471 268 I N 5.552 125.839 120.570 -0.471 0.000 2.287 268 I HA 0.223 4.391 4.170 -0.003 0.000 0.290 268 I C 1.021 176.958 176.117 -0.302 0.000 1.069 268 I CA -0.332 60.829 61.300 -0.232 0.000 1.237 268 I CB 0.990 38.894 38.000 -0.161 0.000 1.418 268 I HN 0.530 nan 8.210 nan 0.000 0.481 269 G N 5.146 113.947 108.800 0.001 0.000 2.552 269 G HA2 0.707 4.665 3.960 -0.003 0.000 0.318 269 G HA3 0.707 4.665 3.960 -0.003 0.000 0.318 269 G C -1.495 173.527 174.900 0.204 0.000 1.240 269 G CA -0.344 44.852 45.100 0.161 0.000 1.002 269 G HN 0.396 nan 8.290 nan 0.000 0.493 270 F N 0.586 120.564 119.950 0.047 0.000 2.654 270 F HA 0.442 4.968 4.527 -0.003 0.000 0.314 270 F C -1.066 174.803 175.800 0.114 0.000 1.116 270 F CA -0.915 57.118 58.000 0.056 0.000 1.017 270 F CB 2.061 41.089 39.000 0.046 0.000 1.285 270 F HN 0.800 nan 8.300 nan 0.000 0.448 271 N N 2.262 120.806 118.700 -0.260 0.000 2.647 271 N HA 0.236 4.974 4.740 -0.003 0.000 0.266 271 N C 0.208 175.630 175.510 -0.148 0.000 1.373 271 N CA -0.521 52.544 53.050 0.025 0.000 0.807 271 N CB 0.362 38.899 38.487 0.083 0.000 1.513 271 N HN 0.535 nan 8.380 nan 0.000 0.505 272 Y N -1.031 119.179 120.300 -0.150 0.000 2.298 272 Y HA -0.039 4.509 4.550 -0.003 0.000 0.287 272 Y C 2.035 177.482 175.900 -0.755 0.000 1.164 272 Y CA 1.554 59.182 58.100 -0.786 0.000 1.229 272 Y CB -0.342 37.347 38.460 -1.285 0.000 0.977 272 Y HN 0.662 nan 8.280 nan 0.000 0.538 273 R N 0.163 119.856 120.500 -1.345 0.000 2.076 273 R HA 0.104 4.442 4.340 -0.003 0.000 0.203 273 R C 2.037 177.916 176.300 -0.701 0.000 1.229 273 R CA 0.848 56.206 56.100 -1.237 0.000 1.094 273 R CB 0.014 29.310 30.300 -1.673 0.000 0.991 273 R HN 0.365 nan 8.270 nan 0.000 0.471 274 E N -0.059 119.827 120.200 -0.523 0.000 2.285 274 E HA 0.106 4.454 4.350 -0.003 0.000 0.194 274 E C 0.897 177.296 176.600 -0.334 0.000 0.997 274 E CA 0.500 56.722 56.400 -0.297 0.000 0.845 274 E CB 0.278 29.891 29.700 -0.145 0.000 0.782 274 E HN 0.571 nan 8.360 nan 0.000 0.491 275 G N 1.748 110.180 108.800 -0.612 0.000 2.536 275 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.280 275 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.280 275 G C 0.093 174.492 174.900 -0.836 0.000 1.152 275 G CA -0.107 44.409 45.100 -0.974 0.000 0.970 275 G HN 0.191 nan 8.290 nan 0.000 0.549 276 I N 1.204 121.656 120.570 -0.198 0.000 2.618 276 I HA 0.367 4.535 4.170 -0.003 0.000 0.284 276 I C 0.303 176.287 176.117 -0.220 0.000 1.146 276 I CA 0.003 61.296 61.300 -0.012 0.000 1.425 276 I CB 1.026 39.087 38.000 0.102 0.000 1.383 276 I HN 0.332 nan 8.210 nan 0.000 0.562 277 V N 7.884 127.679 119.914 -0.198 0.000 2.443 277 V HA 0.361 4.479 4.120 -0.003 0.000 0.293 277 V C -0.117 175.835 176.094 -0.236 0.000 1.021 277 V CA -0.577 61.571 62.300 -0.252 0.000 0.848 277 V CB 1.582 33.316 31.823 -0.148 0.000 0.998 277 V HN 0.442 nan 8.190 nan 0.000 0.424 278 L N 4.142 125.135 121.223 -0.383 0.000 2.264 278 L HA 0.646 4.984 4.340 -0.003 0.000 0.289 278 L C 0.208 176.983 176.870 -0.158 0.000 1.044 278 L CA 0.150 54.841 54.840 -0.248 0.000 0.807 278 L CB 1.561 43.369 42.059 -0.418 0.000 1.192 278 L HN 0.608 nan 8.230 nan 0.000 0.425 279 S N 0.920 116.608 115.700 -0.019 0.000 2.599 279 S HA 0.314 4.782 4.470 -0.003 0.000 0.294 279 S C -0.404 174.216 174.600 0.033 0.000 1.094 279 S CA -0.521 57.611 58.200 -0.112 0.000 0.931 279 S CB 1.761 64.811 63.200 -0.250 0.000 1.093 279 S HN 0.770 nan 8.310 nan 0.000 0.488 280 D N 0.974 121.351 120.400 -0.037 0.000 2.705 280 D HA -0.149 4.489 4.640 -0.003 0.000 0.240 280 D C -0.701 175.750 176.300 0.252 0.000 1.137 280 D CA 0.349 54.446 54.000 0.161 0.000 0.677 280 D CB -1.306 39.658 40.800 0.274 0.000 1.049 280 D HN 0.225 nan 8.370 nan 0.000 0.427 281 V N 1.204 121.258 119.914 0.233 0.000 2.432 281 V HA 0.554 4.672 4.120 -0.003 0.000 0.271 281 V C 0.960 177.203 176.094 0.250 0.000 1.046 281 V CA 0.331 62.809 62.300 0.296 0.000 0.945 281 V CB 1.339 33.309 31.823 0.245 0.000 0.992 281 V HN 0.495 nan 8.190 nan 0.000 0.471 282 S N 4.548 120.441 115.700 0.322 0.000 2.632 282 S HA 0.782 5.250 4.470 -0.003 0.000 0.289 282 S C -1.318 173.483 174.600 0.335 0.000 1.115 282 S CA -0.793 57.568 58.200 0.268 0.000 0.889 282 S CB 2.077 65.398 63.200 0.202 0.000 1.116 282 S HN 0.583 nan 8.310 nan 0.000 0.486 283 Y N 1.624 122.004 120.300 0.134 0.000 2.361 283 Y HA 0.514 5.062 4.550 -0.003 0.000 0.337 283 Y C -0.592 175.350 175.900 0.070 0.000 0.965 283 Y CA -0.791 57.331 58.100 0.037 0.000 1.091 283 Y CB 1.579 40.051 38.460 0.020 0.000 1.182 283 Y HN 0.856 nan 8.280 nan 0.000 0.450 284 N N 4.739 123.211 118.700 -0.379 0.000 2.448 284 N HA 0.029 4.767 4.740 -0.003 0.000 0.250 284 N C -1.168 174.248 175.510 -0.157 0.000 1.136 284 N CA 0.078 53.005 53.050 -0.205 0.000 0.953 284 N CB 0.197 38.538 38.487 -0.243 0.000 1.251 284 N HN 0.657 nan 8.380 nan 0.000 0.502 285 D N 2.586 123.090 120.400 0.175 0.000 2.522 285 D HA 0.091 4.729 4.640 -0.003 0.000 0.218 285 D C -0.432 175.956 176.300 0.146 0.000 1.149 285 D CA -0.142 54.036 54.000 0.297 0.000 0.981 285 D CB -0.785 40.280 40.800 0.442 0.000 1.041 285 D HN 0.581 nan 8.370 nan 0.000 0.518 286 H N 1.432 120.553 119.070 0.086 0.000 2.626 286 H HA -0.194 4.360 4.556 -0.003 0.000 0.317 286 H C 1.422 176.760 175.328 0.018 0.000 1.140 286 H CA 0.978 57.046 56.048 0.032 0.000 1.134 286 H CB -1.048 28.736 29.762 0.036 0.000 1.486 286 H HN 0.659 nan 8.280 nan 0.000 0.417 287 G N -0.170 108.664 108.800 0.057 0.000 2.234 287 G HA2 -0.341 3.617 3.960 -0.003 0.000 0.235 287 G HA3 -0.341 3.617 3.960 -0.003 0.000 0.235 287 G C 0.210 175.129 174.900 0.032 0.000 0.997 287 G CA 0.043 45.164 45.100 0.035 0.000 0.623 287 G HN 0.757 nan 8.290 nan 0.000 0.514 288 N N 0.741 119.475 118.700 0.056 0.000 2.469 288 N HA 0.423 5.161 4.740 -0.003 0.000 0.239 288 N C 0.043 175.593 175.510 0.066 0.000 1.053 288 N CA -0.375 52.704 53.050 0.049 0.000 0.937 288 N CB 0.727 39.243 38.487 0.049 0.000 1.163 288 N HN 0.048 nan 8.380 nan 0.000 0.509 289 V N 4.642 124.584 119.914 0.047 0.000 2.405 289 V HA 0.185 4.303 4.120 -0.003 0.000 0.264 289 V C 0.437 176.587 176.094 0.093 0.000 1.048 289 V CA -0.074 62.266 62.300 0.066 0.000 0.966 289 V CB 0.150 31.997 31.823 0.039 0.000 1.015 289 V HN 0.603 nan 8.190 nan 0.000 0.477 290 R N 5.799 126.396 120.500 0.161 0.000 2.310 290 R HA 0.419 4.757 4.340 -0.003 0.000 0.324 290 R C -2.742 173.693 176.300 0.224 0.000 0.955 290 R CA -1.878 54.330 56.100 0.180 0.000 0.830 290 R CB 1.632 32.056 30.300 0.207 0.000 1.154 290 R HN 0.414 nan 8.270 nan 0.000 0.458 291 P HA 0.029 nan 4.420 nan 0.000 0.267 291 P C -0.056 177.298 177.300 0.090 0.000 1.200 291 P CA 0.331 63.510 63.100 0.132 0.000 0.772 291 P CB 0.785 32.550 31.700 0.108 0.000 0.855 292 I N 0.259 120.785 120.570 -0.072 0.000 3.534 292 I HA 0.194 4.362 4.170 -0.003 0.000 0.251 292 I C 0.017 175.823 176.117 -0.519 0.000 1.136 292 I CA 0.504 61.514 61.300 -0.485 0.000 1.475 292 I CB 0.177 37.623 38.000 -0.922 0.000 1.526 292 I HN 0.117 nan 8.210 nan 0.000 0.454 293 F N 0.081 119.989 119.950 -0.071 0.000 2.540 293 F HA 0.361 4.887 4.527 -0.003 0.000 0.317 293 F C 1.064 176.869 175.800 0.009 0.000 1.104 293 F CA -1.030 56.930 58.000 -0.067 0.000 0.913 293 F CB 0.776 39.691 39.000 -0.143 0.000 1.170 293 F HN -0.029 nan 8.300 nan 0.000 0.450 294 H N 1.808 120.954 119.070 0.126 0.000 2.403 294 H HA 0.227 4.781 4.556 -0.003 0.000 0.298 294 H C 0.171 175.483 175.328 -0.025 0.000 1.059 294 H CA 1.058 57.121 56.048 0.026 0.000 1.363 294 H CB 0.540 30.271 29.762 -0.052 0.000 1.410 294 H HN 0.566 nan 8.280 nan 0.000 0.528 295 R N 0.319 120.752 120.500 -0.110 0.000 2.604 295 R HA 0.380 4.719 4.340 -0.003 0.000 0.261 295 R C -2.148 173.997 176.300 -0.258 0.000 1.080 295 R CA -0.481 55.479 56.100 -0.234 0.000 0.917 295 R CB 1.832 31.984 30.300 -0.246 0.000 1.252 295 R HN 0.215 nan 8.270 nan 0.000 0.456 296 I N 2.571 122.945 120.570 -0.327 0.000 2.656 296 I HA 0.610 4.778 4.170 -0.003 0.000 0.292 296 I C -1.548 174.302 176.117 -0.445 0.000 1.144 296 I CA -0.144 60.915 61.300 -0.401 0.000 1.038 296 I CB 2.182 39.883 38.000 -0.498 0.000 1.244 296 I HN 0.925 nan 8.210 nan 0.000 0.420 297 S N 6.125 121.675 115.700 -0.250 0.000 2.627 297 S HA 0.509 4.977 4.470 -0.003 0.000 0.268 297 S C -1.594 173.116 174.600 0.185 0.000 1.130 297 S CA -1.060 57.072 58.200 -0.114 0.000 0.819 297 S CB 1.064 64.174 63.200 -0.150 0.000 1.100 297 S HN 0.582 nan 8.310 nan 0.000 0.465 298 L N 2.630 124.032 121.223 0.300 0.000 2.290 298 L HA 0.490 4.828 4.340 -0.003 0.000 0.284 298 L C 1.289 178.219 176.870 0.099 0.000 1.078 298 L CA -0.111 54.864 54.840 0.225 0.000 0.815 298 L CB 1.608 43.833 42.059 0.277 0.000 1.162 298 L HN 1.040 nan 8.230 nan 0.000 0.435 299 S N 0.503 116.242 115.700 0.066 0.000 2.505 299 S HA 0.231 4.699 4.470 -0.003 0.000 0.216 299 S C 0.269 174.879 174.600 0.017 0.000 1.018 299 S CA -0.248 58.018 58.200 0.110 0.000 0.911 299 S CB 0.569 63.887 63.200 0.196 0.000 0.818 299 S HN 0.644 nan 8.310 nan 0.000 0.497 300 E N -0.542 119.552 120.200 -0.176 0.000 2.409 300 E HA 0.661 5.010 4.350 -0.003 0.000 0.280 300 E C -1.748 174.679 176.600 -0.289 0.000 1.079 300 E CA -0.405 55.829 56.400 -0.276 0.000 0.840 300 E CB 1.273 30.703 29.700 -0.450 0.000 1.309 300 E HN 0.317 nan 8.360 nan 0.000 0.447 301 M N 1.446 120.978 119.600 -0.112 0.000 2.667 301 M HA 0.669 5.147 4.480 -0.003 0.000 0.286 301 M C -1.138 175.302 176.300 0.233 0.000 1.270 301 M CA -0.978 54.299 55.300 -0.039 0.000 0.826 301 M CB 2.472 34.909 32.600 -0.271 0.000 1.743 301 M HN 0.582 nan 8.290 nan 0.000 0.460 302 I N 0.339 121.007 120.570 0.164 0.000 2.775 302 I HA 0.483 4.652 4.170 -0.003 0.000 0.295 302 I C -1.627 174.470 176.117 -0.032 0.000 1.287 302 I CA -0.645 60.704 61.300 0.080 0.000 1.029 302 I CB 2.131 40.162 38.000 0.052 0.000 1.282 302 I HN 0.409 nan 8.210 nan 0.000 0.426 303 V N 8.149 128.075 119.914 0.021 0.000 2.271 303 V HA 0.341 4.460 4.120 -0.003 0.000 0.259 303 V C -2.340 173.792 176.094 0.063 0.000 1.030 303 V CA -1.198 61.091 62.300 -0.019 0.000 0.957 303 V CB 0.579 32.423 31.823 0.035 0.000 1.186 303 V HN 0.516 nan 8.190 nan 0.000 0.471 304 P HA 0.241 nan 4.420 nan 0.000 0.282 304 P C -0.818 176.465 177.300 -0.029 0.000 1.274 304 P CA -0.102 63.035 63.100 0.061 0.000 0.770 304 P CB 0.743 32.414 31.700 -0.048 0.000 0.867 305 Y N 1.443 121.787 120.300 0.073 0.000 2.300 305 Y HA 0.406 4.954 4.550 -0.003 0.000 0.328 305 Y C 1.996 177.879 175.900 -0.030 0.000 1.270 305 Y CA 0.662 58.796 58.100 0.057 0.000 1.352 305 Y CB 0.670 39.169 38.460 0.065 0.000 1.286 305 Y HN 0.484 nan 8.280 nan 0.000 0.536 306 G N 0.109 108.946 108.800 0.061 0.000 3.575 306 G HA2 0.056 4.014 3.960 -0.003 0.000 0.273 306 G HA3 0.056 4.014 3.960 -0.003 0.000 0.273 306 G C -0.245 174.565 174.900 -0.150 0.000 1.053 306 G CA -0.164 44.917 45.100 -0.031 0.000 0.803 306 G HN 0.454 nan 8.290 nan 0.000 0.528 307 S N 1.468 117.023 115.700 -0.241 0.000 2.452 307 S HA 0.458 4.926 4.470 -0.003 0.000 0.284 307 S C -0.897 173.423 174.600 -0.467 0.000 1.171 307 S CA -1.407 56.505 58.200 -0.480 0.000 1.064 307 S CB 1.794 64.567 63.200 -0.712 0.000 0.967 307 S HN 0.071 nan 8.310 nan 0.000 0.484 308 P HA 0.057 nan 4.420 nan 0.000 0.241 308 P C -0.267 176.907 177.300 -0.211 0.000 1.191 308 P CA 0.292 63.139 63.100 -0.422 0.000 0.771 308 P CB 0.083 31.475 31.700 -0.513 0.000 0.929 309 E N 0.022 120.136 120.200 -0.144 0.000 2.354 309 E HA 0.156 4.504 4.350 -0.003 0.000 0.269 309 E C -0.405 176.132 176.600 -0.105 0.000 1.036 309 E CA -0.791 55.601 56.400 -0.014 0.000 0.876 309 E CB 0.462 30.229 29.700 0.113 0.000 1.009 309 E HN 0.047 nan 8.360 nan 0.000 0.416 310 F N 4.730 124.559 119.950 -0.202 0.000 2.518 310 F HA 0.099 4.624 4.527 -0.003 0.000 0.359 310 F C -1.347 174.162 175.800 -0.485 0.000 1.118 310 F CA -1.657 56.185 58.000 -0.263 0.000 1.287 310 F CB 0.861 39.773 39.000 -0.145 0.000 1.132 310 F HN 0.326 nan 8.300 nan 0.000 0.587 311 P HA 0.054 nan 4.420 nan 0.000 0.254 311 P C 0.282 177.089 177.300 -0.822 0.000 1.494 311 P CA 0.322 62.582 63.100 -1.401 0.000 0.961 311 P CB -0.160 30.917 31.700 -1.038 0.000 1.493 312 H N 0.899 119.702 119.070 -0.444 0.000 2.545 312 H HA -0.078 4.476 4.556 -0.003 0.000 0.282 312 H C 2.089 177.277 175.328 -0.234 0.000 1.020 312 H CA 0.951 56.789 56.048 -0.350 0.000 1.243 312 H CB -0.261 29.290 29.762 -0.352 0.000 1.377 312 H HN 0.405 nan 8.280 nan 0.000 0.581 313 Q N 1.750 121.454 119.800 -0.159 0.000 2.364 313 Q HA -0.134 4.204 4.340 -0.003 0.000 0.209 313 Q C 1.402 177.456 176.000 0.090 0.000 0.977 313 Q CA 0.917 56.687 55.803 -0.055 0.000 0.885 313 Q CB -0.309 28.375 28.738 -0.089 0.000 0.941 313 Q HN 0.407 nan 8.270 nan 0.000 0.464 314 R N 0.822 121.303 120.500 -0.032 0.000 2.313 314 R HA 0.152 4.490 4.340 -0.003 0.000 0.199 314 R C 0.171 176.474 176.300 0.004 0.000 0.958 314 R CA 0.129 56.239 56.100 0.018 0.000 1.047 314 R CB 0.244 30.478 30.300 -0.111 0.000 0.955 314 R HN 0.161 nan 8.270 nan 0.000 0.481 315 K N 2.230 122.663 120.400 0.055 0.000 2.206 315 K HA 0.070 4.388 4.320 -0.003 0.000 0.268 315 K C -0.311 176.547 176.600 0.431 0.000 1.111 315 K CA -0.030 56.342 56.287 0.142 0.000 0.955 315 K CB 0.356 32.710 32.500 -0.244 0.000 1.406 315 K HN 0.298 nan 8.250 nan 0.000 0.427 316 H N 0.208 119.480 119.070 0.337 0.000 2.946 316 H HA 0.223 4.778 4.556 -0.003 0.000 0.217 316 H C -0.726 174.715 175.328 0.189 0.000 1.393 316 H CA -0.723 55.467 56.048 0.236 0.000 1.306 316 H CB -0.434 29.388 29.762 0.101 0.000 2.062 316 H HN 0.353 nan 8.280 nan 0.000 0.520 317 A N 1.995 124.920 122.820 0.174 0.000 2.546 317 A HA 0.309 4.627 4.320 -0.003 0.000 0.243 317 A C 0.144 177.738 177.584 0.015 0.000 1.063 317 A CA -0.254 51.795 52.037 0.020 0.000 0.757 317 A CB 0.115 19.079 19.000 -0.060 0.000 0.991 317 A HN 0.482 nan 8.150 nan 0.000 0.503 318 L N 3.509 124.706 121.223 -0.043 0.000 2.353 318 L HA 0.221 4.559 4.340 -0.003 0.000 0.269 318 L C 0.709 177.499 176.870 -0.132 0.000 1.085 318 L CA 0.004 54.833 54.840 -0.018 0.000 0.938 318 L CB 0.698 42.789 42.059 0.054 0.000 1.312 318 L HN 0.732 nan 8.230 nan 0.000 0.429 319 D N 1.583 121.924 120.400 -0.099 0.000 2.144 319 D HA -0.168 4.470 4.640 -0.003 0.000 0.199 319 D C 2.027 178.211 176.300 -0.194 0.000 0.984 319 D CA 1.574 55.537 54.000 -0.063 0.000 0.834 319 D CB 0.390 41.199 40.800 0.015 0.000 0.955 319 D HN 0.501 nan 8.370 nan 0.000 0.465 320 I N 0.876 121.299 120.570 -0.245 0.000 2.202 320 I HA -0.145 4.024 4.170 -0.003 0.000 0.242 320 I C 2.561 178.467 176.117 -0.352 0.000 1.091 320 I CA 1.342 62.444 61.300 -0.329 0.000 1.368 320 I CB -0.298 37.538 38.000 -0.272 0.000 1.058 320 I HN -0.003 nan 8.210 nan 0.000 0.410 321 G N -0.241 108.390 108.800 -0.283 0.000 2.464 321 G HA2 -0.124 3.834 3.960 -0.003 0.000 0.217 321 G HA3 -0.124 3.834 3.960 -0.003 0.000 0.217 321 G C 1.468 176.225 174.900 -0.239 0.000 1.138 321 G CA 0.306 45.239 45.100 -0.279 0.000 0.793 321 G HN 0.406 nan 8.290 nan 0.000 0.539 322 E N -1.375 118.632 120.200 -0.321 0.000 2.389 322 E HA 0.123 4.471 4.350 -0.003 0.000 0.199 322 E C 1.112 177.349 176.600 -0.605 0.000 0.978 322 E CA 0.317 56.427 56.400 -0.482 0.000 0.912 322 E CB 0.308 29.609 29.700 -0.665 0.000 0.907 322 E HN 0.578 nan 8.360 nan 0.000 0.494 323 Y N -0.346 119.902 120.300 -0.087 0.000 2.652 323 Y HA 0.358 4.906 4.550 -0.003 0.000 0.274 323 Y C 0.826 176.704 175.900 -0.038 0.000 1.148 323 Y CA 0.198 58.269 58.100 -0.048 0.000 1.219 323 Y CB 1.032 39.438 38.460 -0.090 0.000 1.337 323 Y HN -0.038 nan 8.280 nan 0.000 0.490 324 G N 0.741 109.479 108.800 -0.103 0.000 3.421 324 G HA2 0.144 4.102 3.960 -0.003 0.000 0.686 324 G HA3 0.144 4.102 3.960 -0.003 0.000 0.686 324 G C 0.610 175.247 174.900 -0.438 0.000 1.056 324 G CA -0.307 44.589 45.100 -0.341 0.000 0.891 324 G HN 0.617 nan 8.290 nan 0.000 0.514 325 A N 1.312 123.751 122.820 -0.636 0.000 2.070 325 A HA 0.320 4.638 4.320 -0.003 0.000 0.220 325 A C 2.589 179.994 177.584 -0.298 0.000 1.159 325 A CA 2.478 54.039 52.037 -0.794 0.000 0.656 325 A CB -0.365 18.247 19.000 -0.645 0.000 0.800 325 A HN 2.158 nan 8.150 nan 0.000 0.453 326 G N -1.463 107.152 108.800 -0.308 0.000 2.425 326 G HA2 -0.092 3.867 3.960 -0.003 0.000 0.213 326 G HA3 -0.092 3.867 3.960 -0.003 0.000 0.213 326 G C 1.395 176.422 174.900 0.213 0.000 1.201 326 G CA 0.880 46.006 45.100 0.043 0.000 0.799 326 G HN 0.415 nan 8.290 nan 0.000 0.534 327 Y N 0.702 120.839 120.300 -0.271 0.000 2.193 327 Y HA 0.011 4.559 4.550 -0.003 0.000 0.285 327 Y C 2.857 178.764 175.900 0.012 0.000 1.166 327 Y CA 0.678 58.615 58.100 -0.272 0.000 1.181 327 Y CB -0.390 37.920 38.460 -0.251 0.000 0.976 327 Y HN 0.137 nan 8.280 nan 0.000 0.520 328 M N -1.095 118.605 119.600 0.167 0.000 2.561 328 M HA -0.005 4.473 4.480 -0.003 0.000 0.238 328 M C 0.778 177.256 176.300 0.297 0.000 1.131 328 M CA 0.277 55.689 55.300 0.186 0.000 1.046 328 M CB -0.106 32.571 32.600 0.128 0.000 1.532 328 M HN -0.095 nan 8.290 nan 0.000 0.497 329 T N 1.852 116.612 114.554 0.344 0.000 2.919 329 T HA 0.123 4.471 4.350 -0.003 0.000 0.302 329 T C 0.103 174.960 174.700 0.261 0.000 1.031 329 T CA -0.055 62.273 62.100 0.380 0.000 1.127 329 T CB 0.219 69.381 68.868 0.490 0.000 0.952 329 T HN 0.374 nan 8.240 nan 0.000 0.540 330 N N 4.868 123.690 118.700 0.204 0.000 2.529 330 N HA 0.253 4.992 4.740 -0.003 0.000 0.278 330 N C -2.642 172.906 175.510 0.063 0.000 1.146 330 N CA -1.518 51.604 53.050 0.120 0.000 0.980 330 N CB 0.838 39.378 38.487 0.088 0.000 1.124 330 N HN 0.400 nan 8.380 nan 0.000 0.458 331 P HA 0.018 nan 4.420 nan 0.000 0.267 331 P C 0.169 177.431 177.300 -0.064 0.000 1.209 331 P CA 0.188 63.256 63.100 -0.053 0.000 0.763 331 P CB 0.607 32.275 31.700 -0.052 0.000 0.816 332 L N 1.642 122.790 121.223 -0.124 0.000 2.509 332 L HA -0.047 4.292 4.340 -0.003 0.000 0.222 332 L C 2.398 179.230 176.870 -0.064 0.000 1.123 332 L CA 0.615 55.420 54.840 -0.057 0.000 0.856 332 L CB -0.539 41.547 42.059 0.045 0.000 0.985 332 L HN 0.401 nan 8.230 nan 0.000 0.456 333 S N 1.024 116.610 115.700 -0.189 0.000 2.378 333 S HA -0.205 4.264 4.470 -0.003 0.000 0.229 333 S C 1.748 176.348 174.600 -0.001 0.000 1.052 333 S CA 1.657 59.790 58.200 -0.112 0.000 1.084 333 S CB -0.147 62.965 63.200 -0.147 0.000 0.950 333 S HN 0.433 nan 8.310 nan 0.000 0.440 334 L N 0.539 121.757 121.223 -0.008 0.000 2.591 334 L HA 0.233 4.572 4.340 -0.003 0.000 0.228 334 L C 2.308 179.192 176.870 0.023 0.000 1.133 334 L CA 0.411 55.260 54.840 0.014 0.000 0.880 334 L CB -0.436 41.631 42.059 0.013 0.000 1.033 334 L HN 0.419 nan 8.230 nan 0.000 0.450 335 G N -1.583 107.233 108.800 0.027 0.000 2.744 335 G HA2 -0.111 3.848 3.960 -0.003 0.000 0.211 335 G HA3 -0.111 3.848 3.960 -0.003 0.000 0.211 335 G C 1.042 175.960 174.900 0.029 0.000 1.143 335 G CA 0.400 45.517 45.100 0.029 0.000 0.788 335 G HN 0.518 nan 8.290 nan 0.000 0.534 336 C N -0.354 118.965 119.300 0.033 0.000 4.331 336 C HA -0.150 4.309 4.460 -0.003 0.000 0.293 336 C C 0.908 175.908 174.990 0.017 0.000 1.436 336 C CA 0.861 59.891 59.018 0.020 0.000 1.993 336 C CB -2.066 25.678 27.740 0.008 0.000 1.266 336 C HN 0.605 nan 8.230 nan 0.000 0.795 337 D N -1.419 119.003 120.400 0.035 0.000 2.599 337 D HA 0.317 4.956 4.640 -0.003 0.000 0.249 337 D C -0.096 176.207 176.300 0.005 0.000 1.313 337 D CA 0.022 54.048 54.000 0.043 0.000 0.815 337 D CB 0.298 41.160 40.800 0.103 0.000 1.077 337 D HN 0.521 nan 8.370 nan 0.000 0.492 338 c N 1.535 120.114 118.600 -0.035 0.000 3.445 338 c HA 0.427 4.996 4.570 -0.003 0.000 0.213 338 c C -0.226 173.758 174.090 -0.177 0.000 1.319 338 c CA -0.790 55.456 56.329 -0.138 0.000 1.402 338 c CB -1.236 41.291 42.510 0.028 0.000 1.819 338 c HN 0.046 nan 8.230 nan 0.000 0.491 339 K N 1.716 121.961 120.400 -0.259 0.000 2.174 339 K HA 0.657 4.976 4.320 -0.003 0.000 0.275 339 K C 0.857 177.386 176.600 -0.118 0.000 1.015 339 K CA 1.324 57.526 56.287 -0.142 0.000 0.933 339 K CB 1.180 33.612 32.500 -0.113 0.000 1.025 339 K HN 0.922 nan 8.250 nan 0.000 0.463 340 G N 0.606 109.378 108.800 -0.045 0.000 2.466 340 G HA2 -0.225 3.733 3.960 -0.003 0.000 0.218 340 G HA3 -0.225 3.733 3.960 -0.003 0.000 0.218 340 G C -1.148 173.755 174.900 0.004 0.000 1.237 340 G CA -0.590 44.509 45.100 -0.002 0.000 0.954 340 G HN 0.473 nan 8.290 nan 0.000 0.580 341 V N 0.912 120.849 119.914 0.039 0.000 2.364 341 V HA 0.668 4.787 4.120 -0.003 0.000 0.272 341 V C 0.352 176.510 176.094 0.106 0.000 1.036 341 V CA -0.033 62.288 62.300 0.035 0.000 0.880 341 V CB 0.850 32.678 31.823 0.008 0.000 0.991 341 V HN 0.683 nan 8.190 nan 0.000 0.460 342 I N 3.409 124.010 120.570 0.052 0.000 3.002 342 I HA 0.551 4.720 4.170 -0.003 0.000 0.310 342 I C -0.612 175.540 176.117 0.058 0.000 1.087 342 I CA -0.541 60.779 61.300 0.035 0.000 1.017 342 I CB 2.508 40.362 38.000 -0.244 0.000 1.226 342 I HN 0.706 nan 8.210 nan 0.000 0.443 343 H N 2.847 121.891 119.070 -0.043 0.000 2.589 343 H HA 0.569 5.123 4.556 -0.003 0.000 0.351 343 H C -1.716 173.505 175.328 -0.179 0.000 1.074 343 H CA -0.367 55.649 56.048 -0.053 0.000 1.203 343 H CB 1.145 30.965 29.762 0.096 0.000 1.558 343 H HN 0.440 nan 8.280 nan 0.000 0.522 344 Y N 3.777 124.029 120.300 -0.081 0.000 2.487 344 Y HA 0.444 4.992 4.550 -0.003 0.000 0.337 344 Y C -0.485 175.418 175.900 0.005 0.000 1.076 344 Y CA -1.073 57.013 58.100 -0.023 0.000 1.115 344 Y CB 1.661 40.072 38.460 -0.081 0.000 1.235 344 Y HN 0.308 nan 8.280 nan 0.000 0.468 345 L N 2.279 123.606 121.223 0.172 0.000 2.362 345 L HA 0.457 4.795 4.340 -0.003 0.000 0.271 345 L C -1.040 175.739 176.870 -0.151 0.000 1.002 345 L CA -1.076 53.773 54.840 0.015 0.000 0.818 345 L CB 1.678 43.721 42.059 -0.027 0.000 1.298 345 L HN 0.565 nan 8.230 nan 0.000 0.420 346 D N 1.202 121.475 120.400 -0.212 0.000 2.294 346 D HA 0.608 5.247 4.640 -0.003 0.000 0.250 346 D C -0.304 175.625 176.300 -0.617 0.000 1.058 346 D CA -0.121 53.643 54.000 -0.393 0.000 0.950 346 D CB 2.059 42.641 40.800 -0.362 0.000 1.158 346 D HN 0.575 nan 8.370 nan 0.000 0.453 347 A N 1.325 123.689 122.820 -0.760 0.000 2.337 347 A HA 0.583 4.901 4.320 -0.003 0.000 0.329 347 A C -0.911 176.026 177.584 -1.079 0.000 1.146 347 A CA -0.654 50.892 52.037 -0.819 0.000 0.800 347 A CB 0.950 19.529 19.000 -0.703 0.000 1.220 347 A HN 0.563 nan 8.150 nan 0.000 0.472 348 H N 1.205 119.968 119.070 -0.512 0.000 2.589 348 H HA 0.647 5.201 4.556 -0.003 0.000 0.351 348 H C -1.422 173.698 175.328 -0.346 0.000 1.074 348 H CA -0.194 55.602 56.048 -0.420 0.000 1.203 348 H CB 1.346 31.022 29.762 -0.143 0.000 1.558 348 H HN 0.536 nan 8.280 nan 0.000 0.522 349 F N -0.178 119.937 119.950 0.275 0.000 2.764 349 F HA 0.444 4.969 4.527 -0.003 0.000 0.347 349 F C 0.733 176.638 175.800 0.174 0.000 1.151 349 F CA -1.097 57.061 58.000 0.264 0.000 1.021 349 F CB 1.068 40.316 39.000 0.414 0.000 1.438 349 F HN 0.318 nan 8.300 nan 0.000 0.516 350 S N -0.165 115.758 115.700 0.373 0.000 2.549 350 S HA 0.548 5.016 4.470 -0.003 0.000 0.297 350 S C -1.101 173.602 174.600 0.171 0.000 1.115 350 S CA -0.752 57.553 58.200 0.174 0.000 1.059 350 S CB 0.639 63.873 63.200 0.057 0.000 1.046 350 S HN 0.609 nan 8.310 nan 0.000 0.506 351 D N 2.082 122.542 120.400 0.100 0.000 2.451 351 D HA 0.263 4.901 4.640 -0.003 0.000 0.259 351 D C 1.177 177.537 176.300 0.100 0.000 1.201 351 D CA -0.672 53.375 54.000 0.077 0.000 1.028 351 D CB 0.283 41.119 40.800 0.059 0.000 1.095 351 D HN 0.556 nan 8.370 nan 0.000 0.539 352 R N -0.420 120.133 120.500 0.088 0.000 2.105 352 R HA -0.157 4.181 4.340 -0.003 0.000 0.239 352 R C 1.835 178.253 176.300 0.197 0.000 1.135 352 R CA 1.711 57.885 56.100 0.123 0.000 0.967 352 R CB -0.614 29.720 30.300 0.057 0.000 0.861 352 R HN 0.560 nan 8.270 nan 0.000 0.442 353 A N -0.651 122.246 122.820 0.129 0.000 2.209 353 A HA 0.158 4.477 4.320 -0.003 0.000 0.212 353 A C 1.419 179.062 177.584 0.098 0.000 1.158 353 A CA 0.926 53.038 52.037 0.126 0.000 0.742 353 A CB -0.261 18.776 19.000 0.061 0.000 0.790 353 A HN 0.624 nan 8.150 nan 0.000 0.472 354 G N -0.681 108.119 108.800 0.000 0.000 2.141 354 G HA2 -0.175 3.783 3.960 -0.003 0.000 0.242 354 G HA3 -0.175 3.783 3.960 -0.003 0.000 0.242 354 G C -0.457 174.293 174.900 -0.250 0.000 0.982 354 G CA 0.149 45.006 45.100 -0.405 0.000 0.662 354 G HN 0.488 nan 8.290 nan 0.000 0.527 355 D N 1.078 121.421 120.400 -0.095 0.000 2.225 355 D HA 0.477 5.115 4.640 -0.003 0.000 0.249 355 D C -2.371 173.918 176.300 -0.019 0.000 1.052 355 D CA -1.305 52.662 54.000 -0.056 0.000 0.909 355 D CB 1.465 42.253 40.800 -0.019 0.000 1.186 355 D HN 0.060 nan 8.370 nan 0.000 0.431 356 P HA 0.177 nan 4.420 nan 0.000 0.271 356 P C -0.373 176.963 177.300 0.061 0.000 1.216 356 P CA -0.126 62.988 63.100 0.023 0.000 0.776 356 P CB 0.494 32.181 31.700 -0.022 0.000 0.881 357 I N -1.297 119.344 120.570 0.118 0.000 2.740 357 I HA 0.698 4.866 4.170 -0.003 0.000 0.303 357 I C -0.821 175.355 176.117 0.098 0.000 1.044 357 I CA -0.673 60.701 61.300 0.123 0.000 1.064 357 I CB 2.552 40.654 38.000 0.169 0.000 1.249 357 I HN 0.049 nan 8.210 nan 0.000 0.433 358 T N 3.836 118.427 114.554 0.062 0.000 2.841 358 T HA 0.503 4.852 4.350 -0.003 0.000 0.283 358 T C -0.535 174.114 174.700 -0.085 0.000 1.000 358 T CA -0.441 61.648 62.100 -0.019 0.000 0.977 358 T CB 2.038 70.950 68.868 0.074 0.000 0.979 358 T HN 0.428 nan 8.240 nan 0.000 0.446 359 V N 4.679 124.458 119.914 -0.225 0.000 2.328 359 V HA 0.342 4.460 4.120 -0.003 0.000 0.278 359 V C 0.370 176.333 176.094 -0.218 0.000 1.021 359 V CA -0.953 61.264 62.300 -0.139 0.000 0.838 359 V CB 1.097 32.894 31.823 -0.043 0.000 0.999 359 V HN 0.669 nan 8.190 nan 0.000 0.447 360 K N 3.812 124.117 120.400 -0.159 0.000 2.379 360 K HA 0.187 4.506 4.320 -0.003 0.000 0.284 360 K C 0.555 176.997 176.600 -0.264 0.000 1.044 360 K CA 0.190 56.362 56.287 -0.192 0.000 0.974 360 K CB 0.138 32.551 32.500 -0.145 0.000 0.962 360 K HN 0.850 nan 8.250 nan 0.000 0.474 361 N N 1.198 119.703 118.700 -0.325 0.000 2.708 361 N HA -0.257 4.482 4.740 -0.003 0.000 0.255 361 N C 0.371 175.706 175.510 -0.290 0.000 1.046 361 N CA 0.382 53.152 53.050 -0.467 0.000 0.715 361 N CB -0.713 37.112 38.487 -1.103 0.000 0.895 361 N HN 0.721 nan 8.380 nan 0.000 0.545 362 A N -0.615 122.050 122.820 -0.259 0.000 2.016 362 A HA 0.201 4.519 4.320 -0.003 0.000 0.217 362 A C 0.825 178.320 177.584 -0.149 0.000 1.162 362 A CA 0.982 52.870 52.037 -0.249 0.000 0.662 362 A CB 0.687 19.369 19.000 -0.530 0.000 0.812 362 A HN 0.201 nan 8.150 nan 0.000 0.450 363 V N -0.454 119.400 119.914 -0.099 0.000 2.487 363 V HA 0.333 4.451 4.120 -0.003 0.000 0.298 363 V C -0.458 175.758 176.094 0.204 0.000 1.028 363 V CA -1.047 61.282 62.300 0.048 0.000 0.860 363 V CB 1.063 32.887 31.823 0.002 0.000 0.991 363 V HN 0.362 nan 8.190 nan 0.000 0.427 364 c N 7.299 126.025 118.600 0.210 0.000 2.295 364 c HA 0.775 5.343 4.570 -0.003 0.000 0.331 364 c C -0.259 173.902 174.090 0.119 0.000 1.280 364 c CA -0.371 56.073 56.329 0.191 0.000 1.746 364 c CB -1.000 41.636 42.510 0.210 0.000 2.328 364 c HN 0.795 nan 8.230 nan 0.000 0.521 365 I N 8.284 128.866 120.570 0.021 0.000 2.418 365 I HA 0.545 4.713 4.170 -0.003 0.000 0.287 365 I C -0.093 175.961 176.117 -0.106 0.000 1.008 365 I CA -0.002 61.225 61.300 -0.122 0.000 1.104 365 I CB 1.212 39.036 38.000 -0.293 0.000 1.264 365 I HN 0.848 nan 8.210 nan 0.000 0.438 366 H N 4.783 123.692 119.070 -0.268 0.000 3.014 366 H HA 0.523 5.077 4.556 -0.003 0.000 0.337 366 H C -1.950 173.324 175.328 -0.090 0.000 1.320 366 H CA -1.046 54.954 56.048 -0.080 0.000 1.128 366 H CB 1.642 31.408 29.762 0.007 0.000 1.862 366 H HN 0.626 nan 8.280 nan 0.000 0.536 367 E N 1.217 121.460 120.200 0.071 0.000 2.227 367 E HA 0.540 4.889 4.350 -0.003 0.000 0.268 367 E C -0.975 175.677 176.600 0.087 0.000 0.907 367 E CA -0.923 55.454 56.400 -0.038 0.000 0.786 367 E CB 2.942 32.740 29.700 0.164 0.000 1.191 367 E HN 0.762 nan 8.360 nan 0.000 0.411 368 E N 1.634 121.851 120.200 0.029 0.000 2.433 368 E HA 0.233 4.581 4.350 -0.003 0.000 0.278 368 E C -1.166 175.482 176.600 0.080 0.000 0.976 368 E CA -1.031 55.426 56.400 0.094 0.000 0.793 368 E CB 1.397 31.172 29.700 0.124 0.000 1.311 368 E HN 0.512 nan 8.360 nan 0.000 0.460 369 D N 0.321 120.766 120.400 0.074 0.000 2.443 369 D HA -0.021 4.618 4.640 -0.003 0.000 0.239 369 D C -0.700 175.624 176.300 0.040 0.000 1.136 369 D CA 0.464 54.500 54.000 0.059 0.000 0.879 369 D CB 0.978 41.803 40.800 0.042 0.000 1.195 369 D HN 0.497 nan 8.370 nan 0.000 0.443 370 D N 1.861 122.285 120.400 0.040 0.000 2.819 370 D HA 0.310 4.948 4.640 -0.003 0.000 0.326 370 D C 0.543 176.851 176.300 0.013 0.000 1.408 370 D CA 0.426 54.441 54.000 0.025 0.000 0.811 370 D CB -0.062 40.765 40.800 0.044 0.000 1.148 370 D HN 0.723 nan 8.370 nan 0.000 0.457 371 G N 0.285 109.088 108.800 0.005 0.000 2.553 371 G HA2 -0.252 3.706 3.960 -0.003 0.000 0.242 371 G HA3 -0.252 3.706 3.960 -0.003 0.000 0.242 371 G C -0.403 174.485 174.900 -0.019 0.000 1.277 371 G CA -0.281 44.816 45.100 -0.006 0.000 0.910 371 G HN 0.287 nan 8.290 nan 0.000 0.576 372 L N 0.506 121.714 121.223 -0.025 0.000 2.349 372 L HA 0.397 4.736 4.340 -0.003 0.000 0.275 372 L C 1.725 178.554 176.870 -0.068 0.000 1.115 372 L CA -0.682 54.126 54.840 -0.052 0.000 0.820 372 L CB 1.209 43.252 42.059 -0.027 0.000 1.135 372 L HN 0.587 nan 8.230 nan 0.000 0.445 373 L N 4.216 125.328 121.223 -0.185 0.000 2.145 373 L HA 0.233 4.572 4.340 -0.003 0.000 0.201 373 L C -0.131 176.659 176.870 -0.133 0.000 1.075 373 L CA 1.392 56.093 54.840 -0.231 0.000 0.773 373 L CB 0.192 41.969 42.059 -0.471 0.000 0.936 373 L HN 0.558 nan 8.230 nan 0.000 0.451 374 F N -2.558 117.415 119.950 0.038 0.000 2.741 374 F HA 0.588 5.113 4.527 -0.003 0.000 0.311 374 F C -0.744 175.086 175.800 0.052 0.000 1.149 374 F CA -1.693 56.330 58.000 0.039 0.000 0.930 374 F CB 0.738 39.757 39.000 0.032 0.000 1.312 374 F HN -0.195 nan 8.300 nan 0.000 0.450 375 K N 0.763 121.363 120.400 0.333 0.000 2.557 375 K HA 0.617 4.936 4.320 -0.003 0.000 0.261 375 K C -2.513 174.247 176.600 0.267 0.000 0.932 375 K CA -0.773 55.659 56.287 0.242 0.000 0.829 375 K CB 2.291 34.862 32.500 0.118 0.000 1.358 375 K HN 1.069 nan 8.250 nan 0.000 0.430 376 H N 0.199 119.345 119.070 0.126 0.000 3.029 376 H HA 0.524 5.079 4.556 -0.003 0.000 0.358 376 H C -1.892 173.504 175.328 0.112 0.000 1.129 376 H CA -0.257 55.849 56.048 0.097 0.000 1.230 376 H CB 2.077 31.889 29.762 0.084 0.000 1.827 376 H HN 0.536 nan 8.280 nan 0.000 0.530 377 S N 2.935 118.276 115.700 -0.599 0.000 2.570 377 S HA 0.235 4.703 4.470 -0.003 0.000 0.286 377 S C -1.367 173.060 174.600 -0.288 0.000 1.099 377 S CA -0.920 57.128 58.200 -0.252 0.000 0.913 377 S CB 1.690 64.889 63.200 -0.001 0.000 1.085 377 S HN 0.673 nan 8.310 nan 0.000 0.480 378 D N 1.474 121.863 120.400 -0.018 0.000 2.274 378 D HA 0.247 4.885 4.640 -0.003 0.000 0.239 378 D C 0.883 177.161 176.300 -0.038 0.000 1.104 378 D CA -0.941 53.043 54.000 -0.026 0.000 0.840 378 D CB 0.556 41.302 40.800 -0.090 0.000 1.100 378 D HN 0.446 nan 8.370 nan 0.000 0.477 379 F N 3.480 123.427 119.950 -0.005 0.000 2.333 379 F HA -0.000 4.525 4.527 -0.003 0.000 0.300 379 F C 1.779 177.392 175.800 -0.313 0.000 1.083 379 F CA 0.440 58.235 58.000 -0.342 0.000 1.395 379 F CB -0.307 38.621 39.000 -0.121 0.000 1.056 379 F HN 0.217 nan 8.300 nan 0.000 0.529 380 R N 0.907 120.856 120.500 -0.919 0.000 2.120 380 R HA -0.130 4.208 4.340 -0.003 0.000 0.234 380 R C 0.574 176.688 176.300 -0.309 0.000 1.123 380 R CA 1.545 57.251 56.100 -0.657 0.000 0.975 380 R CB -0.615 29.314 30.300 -0.618 0.000 0.866 380 R HN 0.531 nan 8.270 nan 0.000 0.446 381 D N -1.429 118.813 120.400 -0.262 0.000 2.755 381 D HA -0.004 4.634 4.640 -0.003 0.000 0.257 381 D C -0.526 175.670 176.300 -0.172 0.000 1.291 381 D CA -0.453 53.450 54.000 -0.163 0.000 0.836 381 D CB -0.737 40.002 40.800 -0.102 0.000 1.059 381 D HN 0.089 nan 8.370 nan 0.000 0.486 382 N N 1.066 119.581 118.700 -0.308 0.000 2.727 382 N HA -0.283 4.455 4.740 -0.003 0.000 0.249 382 N C -0.698 174.622 175.510 -0.317 0.000 1.048 382 N CA 0.460 53.246 53.050 -0.440 0.000 0.714 382 N CB -0.892 37.481 38.487 -0.190 0.000 0.959 382 N HN 0.259 nan 8.380 nan 0.000 0.544 383 F N -4.599 115.354 119.950 0.004 0.000 2.884 383 F HA -0.319 4.206 4.527 -0.003 0.000 0.294 383 F C 1.648 177.458 175.800 0.016 0.000 0.723 383 F CA 0.810 58.808 58.000 -0.004 0.000 1.294 383 F CB -2.176 36.827 39.000 0.004 0.000 1.551 383 F HN 0.289 nan 8.300 nan 0.000 0.363 384 A N -1.039 121.852 122.820 0.119 0.000 1.930 384 A HA -0.019 4.300 4.320 -0.003 0.000 0.217 384 A C 1.451 179.109 177.584 0.124 0.000 1.175 384 A CA 1.844 53.950 52.037 0.116 0.000 0.627 384 A CB -0.502 18.532 19.000 0.056 0.000 0.815 384 A HN 0.349 nan 8.150 nan 0.000 0.443 385 T N 1.124 115.721 114.554 0.073 0.000 2.751 385 T HA 0.422 4.770 4.350 -0.003 0.000 0.290 385 T C -0.216 174.541 174.700 0.095 0.000 0.919 385 T CA 0.635 62.770 62.100 0.058 0.000 1.136 385 T CB 0.120 68.996 68.868 0.013 0.000 0.875 385 T HN 0.303 nan 8.240 nan 0.000 0.532 386 S N 3.436 119.206 115.700 0.117 0.000 2.537 386 S HA 0.703 5.171 4.470 -0.003 0.000 0.271 386 S C -1.775 172.912 174.600 0.144 0.000 1.148 386 S CA -0.894 57.398 58.200 0.153 0.000 0.868 386 S CB 1.093 64.440 63.200 0.244 0.000 1.115 386 S HN 0.675 nan 8.310 nan 0.000 0.461 387 L N 4.270 125.589 121.223 0.159 0.000 2.464 387 L HA 0.889 5.227 4.340 -0.003 0.000 0.266 387 L C -1.837 175.156 176.870 0.205 0.000 0.965 387 L CA -0.504 54.433 54.840 0.162 0.000 0.833 387 L CB 1.823 43.974 42.059 0.152 0.000 1.296 387 L HN 0.546 nan 8.230 nan 0.000 0.405 388 V N 2.625 122.652 119.914 0.187 0.000 2.686 388 V HA 0.636 4.755 4.120 -0.003 0.000 0.306 388 V C -0.540 175.579 176.094 0.042 0.000 1.065 388 V CA -0.407 61.968 62.300 0.126 0.000 0.894 388 V CB 2.062 33.955 31.823 0.117 0.000 1.004 388 V HN 0.790 nan 8.190 nan 0.000 0.424 389 T N 4.476 118.956 114.554 -0.124 0.000 2.879 389 T HA 0.490 4.839 4.350 -0.003 0.000 0.290 389 T C -0.279 174.231 174.700 -0.316 0.000 0.993 389 T CA -0.675 61.255 62.100 -0.284 0.000 0.975 389 T CB 1.397 69.920 68.868 -0.574 0.000 0.981 389 T HN 0.554 nan 8.240 nan 0.000 0.439 390 R N 1.433 121.832 120.500 -0.168 0.000 2.459 390 R HA 0.712 5.050 4.340 -0.003 0.000 0.281 390 R C 0.094 176.327 176.300 -0.111 0.000 1.050 390 R CA -0.638 55.395 56.100 -0.113 0.000 1.055 390 R CB 1.002 31.277 30.300 -0.042 0.000 1.045 390 R HN 0.690 nan 8.270 nan 0.000 0.495 391 A N 1.661 124.443 122.820 -0.064 0.000 2.310 391 A HA 0.410 4.728 4.320 -0.003 0.000 0.299 391 A C -0.334 177.299 177.584 0.081 0.000 1.147 391 A CA -0.250 51.789 52.037 0.002 0.000 0.818 391 A CB 0.946 19.959 19.000 0.020 0.000 1.096 391 A HN 0.610 nan 8.150 nan 0.000 0.495 392 T N 2.424 117.084 114.554 0.177 0.000 2.829 392 T HA 0.533 4.881 4.350 -0.003 0.000 0.280 392 T C -0.302 174.651 174.700 0.422 0.000 0.999 392 T CA -0.654 61.612 62.100 0.278 0.000 0.983 392 T CB 1.205 70.284 68.868 0.350 0.000 0.968 392 T HN 0.764 nan 8.240 nan 0.000 0.446 393 K N 2.401 122.935 120.400 0.222 0.000 2.267 393 K HA 0.688 5.006 4.320 -0.003 0.000 0.246 393 K C -1.153 175.251 176.600 -0.327 0.000 0.954 393 K CA -1.078 55.247 56.287 0.064 0.000 0.824 393 K CB 1.807 34.309 32.500 0.004 0.000 1.167 393 K HN 0.362 nan 8.250 nan 0.000 0.431 394 L N 3.150 123.908 121.223 -0.776 0.000 2.296 394 L HA 0.437 4.775 4.340 -0.003 0.000 0.286 394 L C -1.362 175.242 176.870 -0.443 0.000 1.023 394 L CA -0.912 53.366 54.840 -0.937 0.000 0.812 394 L CB 1.722 42.791 42.059 -1.651 0.000 1.223 394 L HN 0.573 nan 8.230 nan 0.000 0.421 395 V N 5.619 125.261 119.914 -0.452 0.000 2.487 395 V HA 0.429 4.547 4.120 -0.003 0.000 0.298 395 V C -0.232 175.802 176.094 -0.100 0.000 1.028 395 V CA -0.631 61.531 62.300 -0.229 0.000 0.860 395 V CB 2.156 33.778 31.823 -0.335 0.000 0.991 395 V HN 0.491 nan 8.190 nan 0.000 0.427 396 V N 4.464 124.444 119.914 0.110 0.000 2.378 396 V HA 0.722 4.841 4.120 -0.003 0.000 0.288 396 V C -0.004 176.258 176.094 0.280 0.000 1.016 396 V CA -0.222 62.177 62.300 0.165 0.000 0.840 396 V CB 1.636 33.577 31.823 0.195 0.000 0.994 396 V HN 1.015 nan 8.190 nan 0.000 0.431 397 S N 4.454 120.284 115.700 0.216 0.000 2.569 397 S HA 0.906 5.374 4.470 -0.003 0.000 0.280 397 S C -1.066 173.603 174.600 0.115 0.000 1.111 397 S CA -0.833 57.441 58.200 0.123 0.000 0.887 397 S CB 2.486 65.710 63.200 0.041 0.000 1.095 397 S HN 0.824 nan 8.310 nan 0.000 0.476 398 Q N 0.847 120.681 119.800 0.056 0.000 2.501 398 Q HA 0.792 5.130 4.340 -0.003 0.000 0.288 398 Q C -1.604 174.406 176.000 0.016 0.000 1.051 398 Q CA -1.152 54.727 55.803 0.126 0.000 0.788 398 Q CB 1.650 30.588 28.738 0.333 0.000 1.469 398 Q HN 0.736 nan 8.270 nan 0.000 0.416 399 I N 2.137 122.753 120.570 0.078 0.000 2.499 399 I HA 0.487 4.655 4.170 -0.003 0.000 0.288 399 I C -1.156 175.065 176.117 0.173 0.000 1.048 399 I CA -0.946 60.369 61.300 0.026 0.000 1.062 399 I CB 1.480 39.469 38.000 -0.017 0.000 1.238 399 I HN 0.670 nan 8.210 nan 0.000 0.426 400 F N 3.174 123.205 119.950 0.135 0.000 2.538 400 F HA 0.791 5.316 4.527 -0.003 0.000 0.325 400 F C -0.524 175.374 175.800 0.163 0.000 1.066 400 F CA -0.774 57.319 58.000 0.155 0.000 0.946 400 F CB 1.491 40.587 39.000 0.161 0.000 1.199 400 F HN 0.168 nan 8.300 nan 0.000 0.473 401 T N 2.808 117.593 114.554 0.386 0.000 2.791 401 T HA 0.665 5.013 4.350 -0.003 0.000 0.288 401 T C -0.381 174.492 174.700 0.288 0.000 0.999 401 T CA -0.436 61.805 62.100 0.234 0.000 0.952 401 T CB 1.025 69.972 68.868 0.133 0.000 0.938 401 T HN 0.909 nan 8.240 nan 0.000 0.444 402 A N 3.065 126.056 122.820 0.284 0.000 2.690 402 A HA 0.759 5.077 4.320 -0.003 0.000 0.342 402 A C 1.213 178.780 177.584 -0.028 0.000 1.410 402 A CA 0.051 52.152 52.037 0.108 0.000 0.958 402 A CB -0.979 18.165 19.000 0.240 0.000 1.153 402 A HN 1.456 nan 8.150 nan 0.000 0.497 403 A N 2.447 125.233 122.820 -0.057 0.000 5.123 403 A HA -0.319 3.999 4.320 -0.003 0.000 0.337 403 A C 1.105 178.733 177.584 0.074 0.000 1.775 403 A CA 1.645 53.695 52.037 0.022 0.000 0.704 403 A CB -2.158 16.854 19.000 0.021 0.000 1.426 403 A HN 1.509 nan 8.150 nan 0.000 0.391 407 Y N 1.328 121.311 120.300 -0.528 0.000 2.356 407 Y HA 0.409 4.957 4.550 -0.003 0.000 0.334 407 Y C -0.310 175.310 175.900 -0.468 0.000 0.958 407 Y CA -0.788 56.964 58.100 -0.582 0.000 1.196 407 Y CB 1.080 38.924 38.460 -1.028 0.000 1.137 407 Y HN 0.459 nan 8.280 nan 0.000 0.485 408 C N 5.915 125.101 119.300 -0.190 0.000 2.246 408 C HA 0.551 5.009 4.460 -0.003 0.000 0.329 408 C C 0.036 174.804 174.990 -0.371 0.000 1.221 408 C CA -1.225 57.637 59.018 -0.259 0.000 1.697 408 C CB -1.330 26.353 27.740 -0.095 0.000 2.312 408 C HN 0.640 nan 8.230 nan 0.000 0.509 409 L N 3.881 124.819 121.223 -0.475 0.000 2.296 409 L HA 0.505 4.843 4.340 -0.003 0.000 0.286 409 L C -1.006 175.523 176.870 -0.568 0.000 1.023 409 L CA -0.399 54.207 54.840 -0.390 0.000 0.812 409 L CB 0.641 42.624 42.059 -0.126 0.000 1.223 409 L HN 0.608 nan 8.230 nan 0.000 0.421 410 Y N 1.000 121.148 120.300 -0.253 0.000 2.332 410 Y HA 0.306 4.854 4.550 -0.003 0.000 0.326 410 Y C -0.828 174.887 175.900 -0.309 0.000 0.978 410 Y CA -0.637 57.367 58.100 -0.160 0.000 1.205 410 Y CB 1.188 39.582 38.460 -0.111 0.000 1.131 410 Y HN 0.473 nan 8.280 nan 0.000 0.462 411 W N 3.713 125.039 121.300 0.042 0.000 2.335 411 W HA 0.631 5.290 4.660 -0.002 0.000 0.306 411 W C -0.908 175.558 176.519 -0.088 0.000 1.216 411 W CA -0.726 56.577 57.345 -0.070 0.000 1.237 411 W CB 1.074 30.501 29.460 -0.056 0.000 1.243 411 W HN 0.120 nan 8.180 nan 0.000 0.493 412 V N 5.237 125.118 119.914 -0.055 0.000 2.444 412 V HA 0.422 4.540 4.120 -0.003 0.000 0.294 412 V C -0.602 175.324 176.094 -0.281 0.000 1.022 412 V CA -1.108 61.132 62.300 -0.100 0.000 0.850 412 V CB 0.719 32.483 31.823 -0.099 0.000 0.992 412 V HN 0.213 nan 8.190 nan 0.000 0.426 413 F N 4.552 124.378 119.950 -0.206 0.000 2.450 413 F HA 0.760 5.285 4.527 -0.003 0.000 0.332 413 F C 0.317 176.230 175.800 0.187 0.000 1.093 413 F CA -0.541 57.364 58.000 -0.157 0.000 1.003 413 F CB 1.789 40.576 39.000 -0.355 0.000 1.151 413 F HN 0.269 nan 8.300 nan 0.000 0.474 414 M N 1.759 121.722 119.600 0.603 0.000 2.591 414 M HA 0.329 4.807 4.480 -0.003 0.000 0.306 414 M C 0.364 177.063 176.300 0.666 0.000 1.190 414 M CA -0.589 55.059 55.300 0.580 0.000 0.889 414 M CB 2.387 35.166 32.600 0.299 0.000 1.728 414 M HN 0.579 nan 8.290 nan 0.000 0.458 415 Q N 0.669 120.732 119.800 0.439 0.000 2.444 415 Q HA -0.081 4.257 4.340 -0.003 0.000 0.206 415 Q C 0.339 176.430 176.000 0.152 0.000 0.948 415 Q CA 0.593 56.533 55.803 0.228 0.000 0.946 415 Q CB 0.080 28.878 28.738 0.099 0.000 1.027 415 Q HN 0.652 nan 8.270 nan 0.000 0.513 416 D N -1.235 119.267 120.400 0.170 0.000 2.328 416 D HA 0.043 4.682 4.640 -0.003 0.000 0.221 416 D C 1.143 177.457 176.300 0.023 0.000 1.072 416 D CA 0.674 54.713 54.000 0.066 0.000 0.850 416 D CB 0.191 41.044 40.800 0.089 0.000 0.922 416 D HN 0.219 nan 8.370 nan 0.000 0.516 417 G N -0.338 108.568 108.800 0.177 0.000 2.199 417 G HA2 -0.192 3.766 3.960 -0.003 0.000 0.254 417 G HA3 -0.192 3.766 3.960 -0.003 0.000 0.254 417 G C 0.547 175.768 174.900 0.535 0.000 0.982 417 G CA 0.188 45.443 45.100 0.258 0.000 0.632 417 G HN 0.828 nan 8.290 nan 0.000 0.529 418 A N -0.214 122.820 122.820 0.358 0.000 2.332 418 A HA 0.774 5.092 4.320 -0.003 0.000 0.258 418 A C 0.245 177.962 177.584 0.222 0.000 1.087 418 A CA 0.178 52.380 52.037 0.276 0.000 0.802 418 A CB 0.444 19.519 19.000 0.125 0.000 1.042 418 A HN 0.866 nan 8.150 nan 0.000 0.489 419 I N 0.571 121.190 120.570 0.081 0.000 2.498 419 I HA 0.494 4.662 4.170 -0.003 0.000 0.290 419 I C 0.102 176.127 176.117 -0.153 0.000 1.032 419 I CA -0.378 60.785 61.300 -0.228 0.000 1.073 419 I CB 2.039 39.813 38.000 -0.377 0.000 1.251 419 I HN 0.757 nan 8.210 nan 0.000 0.426 420 R N 4.349 124.720 120.500 -0.217 0.000 2.750 420 R HA 0.697 5.035 4.340 -0.003 0.000 0.281 420 R C -1.794 174.354 176.300 -0.252 0.000 0.972 420 R CA -0.855 55.134 56.100 -0.185 0.000 0.912 420 R CB 2.224 32.441 30.300 -0.138 0.000 1.187 420 R HN 0.486 nan 8.270 nan 0.000 0.464 421 L N 3.146 124.168 121.223 -0.335 0.000 2.298 421 L HA 0.465 4.803 4.340 -0.003 0.000 0.284 421 L C -1.549 175.095 176.870 -0.376 0.000 1.013 421 L CA -0.225 54.304 54.840 -0.518 0.000 0.824 421 L CB 1.601 43.179 42.059 -0.802 0.000 1.221 421 L HN 0.550 nan 8.230 nan 0.000 0.418 422 D N 6.239 126.479 120.400 -0.268 0.000 2.217 422 D HA 0.511 5.149 4.640 -0.003 0.000 0.243 422 D C -0.392 175.879 176.300 -0.048 0.000 1.054 422 D CA 0.202 54.120 54.000 -0.135 0.000 0.838 422 D CB 2.172 42.911 40.800 -0.102 0.000 1.162 422 D HN 0.441 nan 8.370 nan 0.000 0.472 423 I N 1.719 122.250 120.570 -0.065 0.000 2.474 423 I HA 0.392 4.560 4.170 -0.003 0.000 0.294 423 I C 0.163 176.285 176.117 0.008 0.000 1.005 423 I CA -0.805 60.465 61.300 -0.050 0.000 1.113 423 I CB 1.863 39.745 38.000 -0.198 0.000 1.289 423 I HN -0.047 nan 8.210 nan 0.000 0.436 424 R N 6.285 126.818 120.500 0.055 0.000 2.480 424 R HA 0.619 4.958 4.340 -0.003 0.000 0.306 424 R C -1.318 174.922 176.300 -0.100 0.000 0.958 424 R CA -0.824 55.274 56.100 -0.003 0.000 0.861 424 R CB 2.112 32.452 30.300 0.067 0.000 1.171 424 R HN 0.486 nan 8.270 nan 0.000 0.445 425 L N 2.174 123.292 121.223 -0.175 0.000 2.275 425 L HA 0.494 4.833 4.340 -0.003 0.000 0.288 425 L C 0.565 177.275 176.870 -0.267 0.000 1.046 425 L CA -0.202 54.442 54.840 -0.327 0.000 0.805 425 L CB 1.622 43.429 42.059 -0.419 0.000 1.193 425 L HN 0.692 nan 8.230 nan 0.000 0.426 426 T N 1.022 115.398 114.554 -0.296 0.000 2.587 426 T HA 0.802 5.150 4.350 -0.003 0.000 0.282 426 T C -0.017 174.542 174.700 -0.235 0.000 1.018 426 T CA 0.438 62.406 62.100 -0.219 0.000 1.120 426 T CB 1.346 70.108 68.868 -0.177 0.000 1.538 426 T HN 0.989 nan 8.240 nan 0.000 0.480 427 G N 0.379 109.049 108.800 -0.216 0.000 2.484 427 G HA2 -0.056 3.902 3.960 -0.003 0.000 0.225 427 G HA3 -0.056 3.902 3.960 -0.003 0.000 0.225 427 G C -0.947 173.828 174.900 -0.209 0.000 1.250 427 G CA -0.143 44.829 45.100 -0.213 0.000 0.926 427 G HN 0.947 nan 8.290 nan 0.000 0.581 428 I N 0.804 121.245 120.570 -0.215 0.000 2.509 428 I HA 0.433 4.602 4.170 -0.003 0.000 0.293 428 I C 0.706 176.723 176.117 -0.168 0.000 1.020 428 I CA -0.894 60.265 61.300 -0.236 0.000 1.088 428 I CB 1.794 39.543 38.000 -0.419 0.000 1.267 428 I HN 0.512 nan 8.210 nan 0.000 0.430 429 L N 4.109 125.339 121.223 0.011 0.000 2.525 429 L HA -0.037 4.301 4.340 -0.003 0.000 0.278 429 L C 0.566 177.439 176.870 0.005 0.000 1.218 429 L CA 0.209 55.098 54.840 0.082 0.000 0.878 429 L CB -0.129 42.043 42.059 0.189 0.000 1.127 429 L HN 0.622 nan 8.230 nan 0.000 0.492 430 N N 1.774 120.508 118.700 0.057 0.000 2.483 430 N HA 0.108 4.846 4.740 -0.003 0.000 0.264 430 N C -0.570 175.007 175.510 0.111 0.000 1.197 430 N CA -0.066 53.052 53.050 0.114 0.000 0.927 430 N CB 0.717 39.254 38.487 0.083 0.000 1.065 430 N HN 0.645 nan 8.380 nan 0.000 0.461 431 T N 0.520 115.212 114.554 0.230 0.000 2.906 431 T HA 0.425 4.774 4.350 -0.003 0.000 0.295 431 T C -1.178 173.605 174.700 0.137 0.000 1.061 431 T CA -0.746 61.436 62.100 0.138 0.000 1.000 431 T CB 1.130 70.130 68.868 0.221 0.000 1.103 431 T HN 0.486 nan 8.240 nan 0.000 0.486 432 Y N 1.247 121.411 120.300 -0.228 0.000 2.602 432 Y HA 0.693 5.241 4.550 -0.003 0.000 0.342 432 Y C -0.541 175.264 175.900 -0.158 0.000 1.029 432 Y CA -2.144 55.813 58.100 -0.237 0.000 1.080 432 Y CB 1.505 39.738 38.460 -0.378 0.000 1.284 432 Y HN 0.989 nan 8.280 nan 0.000 0.485 433 I N 4.025 123.967 120.570 -1.047 0.000 2.696 433 I HA 0.261 4.430 4.170 -0.003 0.000 0.284 433 I C -1.316 174.547 176.117 -0.423 0.000 1.129 433 I CA -0.340 60.572 61.300 -0.646 0.000 1.410 433 I CB 0.609 38.240 38.000 -0.614 0.000 1.399 433 I HN 0.598 nan 8.210 nan 0.000 0.579 434 L N 7.032 128.126 121.223 -0.215 0.000 2.381 434 L HA 0.636 4.974 4.340 -0.003 0.000 0.274 434 L C -0.015 176.809 176.870 -0.075 0.000 0.988 434 L CA -0.097 54.686 54.840 -0.094 0.000 0.824 434 L CB 1.528 43.547 42.059 -0.067 0.000 1.263 434 L HN 0.621 nan 8.230 nan 0.000 0.410 435 G N 2.300 111.079 108.800 -0.034 0.000 2.569 435 G HA2 0.136 4.094 3.960 -0.003 0.000 0.249 435 G HA3 0.136 4.094 3.960 -0.003 0.000 0.249 435 G C 0.311 175.202 174.900 -0.016 0.000 1.216 435 G CA -0.203 44.884 45.100 -0.022 0.000 0.845 435 G HN 0.781 nan 8.290 nan 0.000 0.568 436 D N -0.095 120.299 120.400 -0.010 0.000 2.149 436 D HA -0.157 4.481 4.640 -0.003 0.000 0.194 436 D C 1.863 178.160 176.300 -0.005 0.000 1.001 436 D CA 1.788 55.786 54.000 -0.003 0.000 0.849 436 D CB 0.141 40.942 40.800 0.002 0.000 0.939 436 D HN 0.641 nan 8.370 nan 0.000 0.449 437 D N -0.187 120.213 120.400 -0.001 0.000 2.368 437 D HA -0.044 4.594 4.640 -0.003 0.000 0.218 437 D C 0.102 176.406 176.300 0.006 0.000 1.112 437 D CA -0.116 53.885 54.000 0.001 0.000 0.834 437 D CB -0.185 40.617 40.800 0.004 0.000 0.953 437 D HN 0.194 nan 8.370 nan 0.000 0.505 438 E N 0.870 121.075 120.200 0.008 0.000 2.197 438 E HA 0.176 4.524 4.350 -0.003 0.000 0.281 438 E C -0.842 175.768 176.600 0.016 0.000 0.995 438 E CA -0.622 55.792 56.400 0.023 0.000 0.808 438 E CB 1.167 30.890 29.700 0.039 0.000 1.093 438 E HN -0.018 nan 8.360 nan 0.000 0.394 439 E N 3.043 123.255 120.200 0.020 0.000 2.259 439 E HA 0.251 4.599 4.350 -0.003 0.000 0.281 439 E C -0.118 176.499 176.600 0.028 0.000 1.027 439 E CA 0.158 56.562 56.400 0.007 0.000 0.838 439 E CB 1.478 31.170 29.700 -0.012 0.000 1.066 439 E HN 0.547 nan 8.360 nan 0.000 0.401 440 A N 4.051 126.885 122.820 0.023 0.000 1.930 440 A HA 0.205 4.523 4.320 -0.003 0.000 0.215 440 A C 1.290 178.894 177.584 0.034 0.000 1.176 440 A CA 0.878 52.953 52.037 0.063 0.000 0.632 440 A CB -0.735 18.296 19.000 0.050 0.000 0.819 440 A HN 0.640 nan 8.150 nan 0.000 0.445 441 G N -0.505 108.268 108.800 -0.045 0.000 2.606 441 G HA2 0.403 4.361 3.960 -0.003 0.000 0.252 441 G HA3 0.403 4.361 3.960 -0.003 0.000 0.252 441 G C -1.283 173.419 174.900 -0.329 0.000 1.206 441 G CA -0.390 44.623 45.100 -0.145 0.000 0.861 441 G HN 0.206 nan 8.290 nan 0.000 0.561 442 P HA 0.082 nan 4.420 nan 0.000 0.255 442 P C 0.358 177.441 177.300 -0.362 0.000 1.248 442 P CA 0.297 63.042 63.100 -0.591 0.000 0.807 442 P CB 0.146 31.349 31.700 -0.829 0.000 1.150 443 W N 0.502 121.859 121.300 0.096 0.000 3.290 443 W HA 0.435 5.095 4.660 -0.001 0.000 0.287 443 W C 0.957 177.580 176.519 0.173 0.000 1.288 443 W CA -0.193 57.215 57.345 0.105 0.000 1.725 443 W CB 0.490 29.965 29.460 0.026 0.000 1.103 443 W HN -0.015 nan 8.180 nan 0.000 0.670 444 G N -0.535 108.455 108.800 0.316 0.000 2.550 444 G HA2 0.507 4.465 3.960 -0.003 0.000 0.293 444 G HA3 0.507 4.465 3.960 -0.003 0.000 0.293 444 G C -1.468 173.528 174.900 0.160 0.000 1.402 444 G CA -0.634 44.642 45.100 0.295 0.000 0.784 444 G HN -0.301 nan 8.290 nan 0.000 0.482 445 T N 0.157 114.778 114.554 0.113 0.000 2.848 445 T HA 0.456 4.804 4.350 -0.003 0.000 0.285 445 T C 0.013 174.711 174.700 -0.004 0.000 0.995 445 T CA -0.617 61.515 62.100 0.053 0.000 0.970 445 T CB 1.872 70.780 68.868 0.066 0.000 0.976 445 T HN 0.550 nan 8.240 nan 0.000 0.441 446 R N 2.893 123.381 120.500 -0.020 0.000 2.351 446 R HA 0.245 4.584 4.340 -0.003 0.000 0.321 446 R C 1.108 177.366 176.300 -0.070 0.000 1.182 446 R CA -0.138 55.926 56.100 -0.060 0.000 1.011 446 R CB -0.275 29.992 30.300 -0.056 0.000 1.048 446 R HN 0.585 nan 8.270 nan 0.000 0.490 447 V N 2.181 122.015 119.914 -0.133 0.000 3.608 447 V HA 0.267 4.385 4.120 -0.003 0.000 0.269 447 V C -0.228 175.844 176.094 -0.036 0.000 1.245 447 V CA 0.020 62.249 62.300 -0.119 0.000 1.138 447 V CB -0.804 30.877 31.823 -0.237 0.000 0.841 447 V HN 0.669 nan 8.190 nan 0.000 0.451 448 Y N -0.705 119.441 120.300 -0.256 0.000 2.638 448 Y HA 0.570 5.119 4.550 -0.003 0.000 0.334 448 Y C -3.175 172.588 175.900 -0.229 0.000 1.182 448 Y CA -2.202 55.793 58.100 -0.174 0.000 1.102 448 Y CB 1.655 40.045 38.460 -0.117 0.000 1.343 448 Y HN -0.114 nan 8.280 nan 0.000 0.463 449 P HA 0.181 nan 4.420 nan 0.000 0.262 449 P C -0.686 176.383 177.300 -0.385 0.000 1.182 449 P CA 1.292 64.009 63.100 -0.639 0.000 0.761 449 P CB 0.200 31.158 31.700 -1.238 0.000 0.795 450 N N -0.880 117.696 118.700 -0.205 0.000 2.753 450 N HA -0.140 4.598 4.740 -0.003 0.000 0.251 450 N C -0.912 174.515 175.510 -0.138 0.000 1.097 450 N CA 0.298 53.271 53.050 -0.127 0.000 0.786 450 N CB -1.310 37.130 38.487 -0.078 0.000 1.137 450 N HN 0.119 nan 8.380 nan 0.000 0.566 451 V N 0.821 120.653 119.914 -0.137 0.000 2.444 451 V HA 0.303 4.421 4.120 -0.003 0.000 0.294 451 V C -0.033 175.959 176.094 -0.169 0.000 1.022 451 V CA -0.699 61.505 62.300 -0.160 0.000 0.850 451 V CB 1.786 33.477 31.823 -0.219 0.000 0.992 451 V HN 0.235 nan 8.190 nan 0.000 0.426 452 N N 3.161 121.767 118.700 -0.156 0.000 2.476 452 N HA 0.639 5.377 4.740 -0.003 0.000 0.257 452 N C -0.341 175.051 175.510 -0.196 0.000 0.970 452 N CA -0.433 52.540 53.050 -0.128 0.000 0.938 452 N CB 1.205 39.651 38.487 -0.069 0.000 1.144 452 N HN 0.839 nan 8.380 nan 0.000 0.500 453 A N 3.527 126.277 122.820 -0.117 0.000 2.294 453 A HA 0.250 4.569 4.320 -0.003 0.000 0.316 453 A C -0.630 177.013 177.584 0.098 0.000 1.359 453 A CA -0.402 51.605 52.037 -0.050 0.000 0.956 453 A CB -0.110 18.873 19.000 -0.028 0.000 1.155 453 A HN 0.840 nan 8.150 nan 0.000 0.544 454 H N 2.168 121.349 119.070 0.184 0.000 2.707 454 H HA 0.088 4.642 4.556 -0.003 0.000 0.359 454 H C 0.204 175.708 175.328 0.295 0.000 1.113 454 H CA -0.529 55.668 56.048 0.249 0.000 1.422 454 H CB 0.693 30.620 29.762 0.276 0.000 1.443 454 H HN 0.666 nan 8.280 nan 0.000 0.591 455 N N 2.780 121.676 118.700 0.327 0.000 2.416 455 N HA 0.006 4.744 4.740 -0.003 0.000 0.246 455 N C -0.225 175.227 175.510 -0.097 0.000 1.260 455 N CA 0.437 53.511 53.050 0.039 0.000 0.897 455 N CB 0.406 38.944 38.487 0.086 0.000 1.110 455 N HN 0.697 nan 8.380 nan 0.000 0.439 456 H N -1.959 116.827 119.070 -0.473 0.000 3.024 456 H HA 0.311 4.865 4.556 -0.003 0.000 0.324 456 H C -1.390 173.640 175.328 -0.497 0.000 1.347 456 H CA -0.777 54.858 56.048 -0.689 0.000 1.182 456 H CB 0.803 29.668 29.762 -1.495 0.000 1.889 456 H HN 0.405 nan 8.280 nan 0.000 0.528 457 Q N 0.831 120.409 119.800 -0.370 0.000 2.257 457 Q HA 0.370 4.708 4.340 -0.003 0.000 0.262 457 Q C -0.698 175.154 176.000 -0.247 0.000 0.997 457 Q CA -0.953 54.696 55.803 -0.257 0.000 0.873 457 Q CB 2.251 30.890 28.738 -0.165 0.000 1.312 457 Q HN 0.521 nan 8.270 nan 0.000 0.450 458 H N 1.799 120.859 119.070 -0.017 0.000 2.638 458 H HA 0.421 4.975 4.556 -0.003 0.000 0.317 458 H C -0.864 174.359 175.328 -0.176 0.000 1.006 458 H CA -0.283 55.738 56.048 -0.045 0.000 1.222 458 H CB 0.854 30.703 29.762 0.144 0.000 1.419 458 H HN 0.350 nan 8.280 nan 0.000 0.489 459 L N 3.859 124.932 121.223 -0.250 0.000 2.362 459 L HA 0.482 4.820 4.340 -0.003 0.000 0.271 459 L C -0.929 175.715 176.870 -0.376 0.000 1.002 459 L CA -0.797 53.935 54.840 -0.179 0.000 0.818 459 L CB 1.547 43.584 42.059 -0.036 0.000 1.298 459 L HN 0.359 nan 8.230 nan 0.000 0.420 460 F N -0.035 119.797 119.950 -0.197 0.000 2.576 460 F HA 0.413 4.939 4.527 -0.003 0.000 0.313 460 F C 0.248 175.929 175.800 -0.199 0.000 1.078 460 F CA -0.755 57.059 58.000 -0.310 0.000 0.921 460 F CB 2.213 40.765 39.000 -0.747 0.000 1.232 460 F HN 0.216 nan 8.300 nan 0.000 0.459 461 S N 3.038 118.650 115.700 -0.146 0.000 2.532 461 S HA 0.477 4.945 4.470 -0.003 0.000 0.318 461 S C -1.066 173.604 174.600 0.118 0.000 1.083 461 S CA -0.522 57.585 58.200 -0.154 0.000 1.131 461 S CB 0.002 62.690 63.200 -0.854 0.000 0.973 461 S HN 0.558 nan 8.310 nan 0.000 0.468 462 L N 6.044 127.453 121.223 0.309 0.000 2.361 462 L HA 0.496 4.834 4.340 -0.003 0.000 0.278 462 L C 0.262 177.172 176.870 0.067 0.000 1.113 462 L CA 0.273 55.268 54.840 0.259 0.000 0.849 462 L CB 0.517 42.761 42.059 0.308 0.000 1.155 462 L HN 0.663 nan 8.230 nan 0.000 0.452 463 R N 6.429 126.858 120.500 -0.118 0.000 2.246 463 R HA 0.522 4.861 4.340 -0.003 0.000 0.332 463 R C -1.357 174.698 176.300 -0.408 0.000 0.974 463 R CA -0.518 55.268 56.100 -0.524 0.000 0.837 463 R CB 0.488 30.423 30.300 -0.608 0.000 1.145 463 R HN 0.769 nan 8.270 nan 0.000 0.467 464 I N 3.700 124.034 120.570 -0.393 0.000 2.339 464 I HA 0.152 4.320 4.170 -0.003 0.000 0.290 464 I C -0.428 175.536 176.117 -0.255 0.000 0.994 464 I CA -0.652 60.415 61.300 -0.388 0.000 1.191 464 I CB 1.722 39.452 38.000 -0.450 0.000 1.343 464 I HN 0.500 nan 8.210 nan 0.000 0.458 465 D N 9.718 129.998 120.400 -0.201 0.000 2.467 465 D HA 0.302 4.941 4.640 -0.003 0.000 0.220 465 D C -2.484 173.847 176.300 0.052 0.000 1.103 465 D CA -2.102 51.877 54.000 -0.035 0.000 0.886 465 D CB 1.181 42.002 40.800 0.035 0.000 1.025 465 D HN 0.147 nan 8.370 nan 0.000 0.514 466 P HA 0.331 nan 4.420 nan 0.000 0.281 466 P C -0.517 176.871 177.300 0.146 0.000 1.249 466 P CA -0.609 62.638 63.100 0.245 0.000 0.810 466 P CB 1.258 33.084 31.700 0.209 0.000 1.008 467 R N 2.204 122.788 120.500 0.141 0.000 2.638 467 R HA 0.271 4.609 4.340 -0.003 0.000 0.261 467 R C -0.316 176.020 176.300 0.059 0.000 1.515 467 R CA -0.388 55.756 56.100 0.073 0.000 1.623 467 R CB -0.076 30.273 30.300 0.082 0.000 1.347 467 R HN 0.315 nan 8.270 nan 0.000 0.705 468 I N 2.774 123.389 120.570 0.075 0.000 2.576 468 I HA -0.006 4.162 4.170 -0.003 0.000 0.288 468 I C 0.500 176.724 176.117 0.178 0.000 1.126 468 I CA 0.787 62.167 61.300 0.133 0.000 1.362 468 I CB 0.036 38.150 38.000 0.190 0.000 1.419 468 I HN 0.642 nan 8.210 nan 0.000 0.533 469 D N 5.170 125.720 120.400 0.250 0.000 2.751 469 D HA -0.159 4.479 4.640 -0.003 0.000 0.233 469 D C 0.688 177.010 176.300 0.036 0.000 1.149 469 D CA 1.599 55.654 54.000 0.092 0.000 0.682 469 D CB -0.641 40.100 40.800 -0.098 0.000 1.068 469 D HN 1.163 nan 8.370 nan 0.000 0.429 470 G N -0.885 107.947 108.800 0.054 0.000 2.472 470 G HA2 -0.112 3.846 3.960 -0.003 0.000 0.205 470 G HA3 -0.112 3.846 3.960 -0.003 0.000 0.205 470 G C -1.000 173.909 174.900 0.015 0.000 1.270 470 G CA -0.170 44.946 45.100 0.027 0.000 0.974 470 G HN 0.265 nan 8.290 nan 0.000 0.542 471 D N 1.239 121.637 120.400 -0.003 0.000 2.210 471 D HA 0.544 5.182 4.640 -0.003 0.000 0.249 471 D C 0.725 177.014 176.300 -0.017 0.000 1.062 471 D CA 1.325 55.314 54.000 -0.018 0.000 0.891 471 D CB 1.170 41.952 40.800 -0.030 0.000 1.186 471 D HN 2.057 nan 8.370 nan 0.000 0.432 472 G N 1.700 110.485 108.800 -0.024 0.000 3.081 472 G HA2 -0.169 3.790 3.960 -0.003 0.000 0.603 472 G HA3 -0.169 3.790 3.960 -0.003 0.000 0.603 472 G C -0.747 174.125 174.900 -0.046 0.000 1.106 472 G CA -0.758 44.326 45.100 -0.027 0.000 1.001 472 G HN 0.582 nan 8.290 nan 0.000 0.445 473 N N -0.118 118.544 118.700 -0.064 0.000 2.469 473 N HA 0.840 5.579 4.740 -0.003 0.000 0.286 473 N C -0.377 175.002 175.510 -0.219 0.000 1.275 473 N CA -0.788 52.186 53.050 -0.128 0.000 0.790 473 N CB 1.998 40.456 38.487 -0.047 0.000 1.446 473 N HN 0.426 nan 8.380 nan 0.000 0.501 474 S N -0.286 115.127 115.700 -0.478 0.000 2.651 474 S HA 0.827 5.296 4.470 -0.003 0.000 0.279 474 S C -1.336 173.019 174.600 -0.408 0.000 1.148 474 S CA -0.695 57.195 58.200 -0.516 0.000 0.837 474 S CB 1.962 64.652 63.200 -0.851 0.000 1.138 474 S HN 0.680 nan 8.310 nan 0.000 0.478 475 A N 0.237 123.048 122.820 -0.016 0.000 2.469 475 A HA 1.010 5.329 4.320 -0.003 0.000 0.299 475 A C -1.005 176.579 177.584 0.000 0.000 1.098 475 A CA -0.589 51.602 52.037 0.257 0.000 0.737 475 A CB 1.531 20.880 19.000 0.582 0.000 1.312 475 A HN 1.428 nan 8.150 nan 0.000 0.414 476 A N -0.331 122.428 122.820 -0.101 0.000 2.594 476 A HA 0.854 5.172 4.320 -0.003 0.000 0.295 476 A C -0.361 177.045 177.584 -0.297 0.000 1.071 476 A CA 0.033 51.753 52.037 -0.528 0.000 0.685 476 A CB 1.038 19.987 19.000 -0.086 0.000 1.285 476 A HN 2.437 nan 8.150 nan 0.000 0.405 477 A N -0.004 122.633 122.820 -0.306 0.000 2.301 477 A HA 0.593 4.912 4.320 -0.003 0.000 0.312 477 A C -0.312 177.183 177.584 -0.147 0.000 1.182 477 A CA -0.294 51.679 52.037 -0.107 0.000 0.826 477 A CB 0.035 19.107 19.000 0.121 0.000 1.134 477 A HN 1.234 nan 8.150 nan 0.000 0.501 478 C N 2.416 121.589 119.300 -0.212 0.000 2.322 478 C HA 0.604 5.063 4.460 -0.003 0.000 0.324 478 C C -0.820 174.068 174.990 -0.172 0.000 1.249 478 C CA -0.849 58.083 59.018 -0.143 0.000 1.453 478 C CB 0.294 27.978 27.740 -0.092 0.000 2.145 478 C HN 0.791 nan 8.230 nan 0.000 0.466 479 D N 2.258 122.570 120.400 -0.147 0.000 2.492 479 D HA 0.475 5.114 4.640 -0.003 0.000 0.248 479 D C -0.219 175.967 176.300 -0.191 0.000 1.101 479 D CA 0.131 54.030 54.000 -0.167 0.000 0.840 479 D CB 2.144 42.855 40.800 -0.148 0.000 1.209 479 D HN 0.687 nan 8.370 nan 0.000 0.524 480 A N 3.223 125.939 122.820 -0.174 0.000 2.450 480 A HA 0.332 4.651 4.320 -0.003 0.000 0.255 480 A C 0.194 177.631 177.584 -0.245 0.000 1.096 480 A CA 0.108 52.033 52.037 -0.186 0.000 0.778 480 A CB 0.399 19.296 19.000 -0.171 0.000 1.031 480 A HN 0.327 nan 8.150 nan 0.000 0.494 481 K N 2.103 122.299 120.400 -0.340 0.000 2.468 481 K HA 0.388 4.706 4.320 -0.003 0.000 0.252 481 K C -0.649 175.892 176.600 -0.098 0.000 0.932 481 K CA -0.547 55.557 56.287 -0.305 0.000 0.794 481 K CB 2.206 34.395 32.500 -0.519 0.000 1.241 481 K HN 0.666 nan 8.250 nan 0.000 0.428 482 S N 0.936 116.660 115.700 0.040 0.000 2.573 482 S HA -0.007 4.462 4.470 -0.003 0.000 0.277 482 S C 0.546 175.334 174.600 0.313 0.000 1.346 482 S CA -0.145 58.169 58.200 0.189 0.000 1.034 482 S CB 0.820 64.093 63.200 0.122 0.000 0.879 482 S HN 0.597 nan 8.310 nan 0.000 0.528 483 S N 2.747 118.667 115.700 0.367 0.000 2.558 483 S HA 0.040 4.509 4.470 -0.003 0.000 0.291 483 S C -1.042 173.695 174.600 0.227 0.000 1.306 483 S CA -1.013 57.391 58.200 0.339 0.000 1.056 483 S CB 0.260 63.623 63.200 0.273 0.000 0.836 483 S HN 0.576 nan 8.310 nan 0.000 0.504 484 P HA 0.003 nan 4.420 nan 0.000 0.229 484 P C -0.320 176.910 177.300 -0.118 0.000 1.160 484 P CA 0.623 63.708 63.100 -0.025 0.000 0.777 484 P CB -0.068 31.545 31.700 -0.144 0.000 0.814 485 Y N 2.563 122.888 120.300 0.042 0.000 2.359 485 Y HA 0.217 4.765 4.550 -0.003 0.000 0.330 485 Y C -1.389 174.529 175.900 0.030 0.000 1.143 485 Y CA -2.347 55.768 58.100 0.024 0.000 1.318 485 Y CB -0.299 38.167 38.460 0.011 0.000 1.234 485 Y HN 0.015 nan 8.280 nan 0.000 0.522 486 P HA 0.061 nan 4.420 nan 0.000 0.276 486 P C -0.674 176.677 177.300 0.085 0.000 1.244 486 P CA -0.573 62.583 63.100 0.093 0.000 0.801 486 P CB 1.104 32.839 31.700 0.059 0.000 1.006 487 L N 1.441 122.700 121.223 0.060 0.000 2.615 487 L HA 0.174 4.513 4.340 -0.003 0.000 0.284 487 L C 1.451 178.321 176.870 0.000 0.000 1.237 487 L CA 2.287 57.147 54.840 0.033 0.000 0.905 487 L CB -1.140 40.937 42.059 0.030 0.000 1.149 487 L HN 0.866 nan 8.230 nan 0.000 0.499 488 G N 2.195 110.966 108.800 -0.048 0.000 2.179 488 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.260 488 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.260 488 G C 0.314 175.181 174.900 -0.055 0.000 0.977 488 G CA 0.446 45.497 45.100 -0.082 0.000 0.641 488 G HN 1.228 nan 8.290 nan 0.000 0.533 489 S N 0.104 115.795 115.700 -0.016 0.000 2.603 489 S HA 0.610 5.079 4.470 -0.003 0.000 0.268 489 S C -0.807 173.763 174.600 -0.050 0.000 1.317 489 S CA -0.560 57.640 58.200 -0.001 0.000 1.012 489 S CB 2.088 65.336 63.200 0.080 0.000 0.926 489 S HN -0.015 nan 8.310 nan 0.000 0.539 490 P HA -0.064 nan 4.420 nan 0.000 0.218 490 P C 0.759 177.986 177.300 -0.123 0.000 1.148 490 P CA 1.154 64.202 63.100 -0.086 0.000 0.822 490 P CB 0.003 31.653 31.700 -0.083 0.000 0.784 491 E N -1.790 118.290 120.200 -0.201 0.000 2.285 491 E HA -0.029 4.319 4.350 -0.003 0.000 0.194 491 E C 0.722 177.240 176.600 -0.136 0.000 0.997 491 E CA 0.656 56.869 56.400 -0.311 0.000 0.845 491 E CB -0.305 28.877 29.700 -0.864 0.000 0.782 491 E HN 0.094 nan 8.360 nan 0.000 0.491 492 N N -0.475 118.201 118.700 -0.041 0.000 2.639 492 N HA 0.073 4.811 4.740 -0.003 0.000 0.265 492 N C 0.145 175.670 175.510 0.025 0.000 1.689 492 N CA -0.011 53.063 53.050 0.041 0.000 0.813 492 N CB 0.028 38.583 38.487 0.114 0.000 1.353 492 N HN -0.070 nan 8.380 nan 0.000 0.510 493 M N 0.263 119.849 119.600 -0.024 0.000 2.106 493 M HA -0.030 4.449 4.480 -0.003 0.000 0.259 493 M C 0.185 176.305 176.300 -0.300 0.000 1.068 493 M CA 2.024 57.206 55.300 -0.196 0.000 1.100 493 M CB -0.297 32.119 32.600 -0.305 0.000 1.351 493 M HN 0.367 nan 8.290 nan 0.000 0.404 494 Y N -0.610 119.704 120.300 0.022 0.000 2.468 494 Y HA 0.445 4.993 4.550 -0.003 0.000 0.268 494 Y C 1.500 177.426 175.900 0.043 0.000 1.177 494 Y CA 0.101 58.219 58.100 0.029 0.000 1.265 494 Y CB -0.327 38.147 38.460 0.024 0.000 1.103 494 Y HN 0.442 nan 8.280 nan 0.000 0.522 495 G N 1.381 110.271 108.800 0.150 0.000 2.168 495 G HA2 -0.387 3.571 3.960 -0.003 0.000 0.257 495 G HA3 -0.387 3.571 3.960 -0.003 0.000 0.257 495 G C 0.978 175.970 174.900 0.153 0.000 0.997 495 G CA 0.768 45.946 45.100 0.131 0.000 0.708 495 G HN 0.572 nan 8.290 nan 0.000 0.520 496 N N 0.026 118.830 118.700 0.172 0.000 2.325 496 N HA 0.387 5.125 4.740 -0.003 0.000 0.182 496 N C 1.053 176.692 175.510 0.214 0.000 1.088 496 N CA 0.724 53.885 53.050 0.185 0.000 0.879 496 N CB 0.018 38.595 38.487 0.150 0.000 0.983 496 N HN 0.989 nan 8.380 nan 0.000 0.471 497 A N 0.984 123.906 122.820 0.170 0.000 2.511 497 A HA 0.434 4.752 4.320 -0.003 0.000 0.242 497 A C -0.416 177.331 177.584 0.272 0.000 1.069 497 A CA -0.208 51.909 52.037 0.133 0.000 0.763 497 A CB -0.489 18.576 19.000 0.109 0.000 1.001 497 A HN 0.482 nan 8.150 nan 0.000 0.498 498 F N 0.595 120.634 119.950 0.148 0.000 2.668 498 F HA 0.763 5.289 4.527 -0.002 0.000 0.309 498 F C -1.078 174.858 175.800 0.227 0.000 1.117 498 F CA -1.502 56.603 58.000 0.176 0.000 0.951 498 F CB 0.901 39.939 39.000 0.064 0.000 1.323 498 F HN 0.793 nan 8.300 nan 0.000 0.451 499 Y N -0.666 119.811 120.300 0.294 0.000 2.689 499 Y HA 0.774 5.322 4.550 -0.003 0.000 0.333 499 Y C -1.456 174.552 175.900 0.180 0.000 1.190 499 Y CA -1.715 56.469 58.100 0.140 0.000 1.063 499 Y CB 1.069 39.562 38.460 0.056 0.000 1.294 499 Y HN 0.822 nan 8.280 nan 0.000 0.466 500 S N 0.980 116.739 115.700 0.098 0.000 2.438 500 S HA 0.258 4.727 4.470 -0.003 0.000 0.316 500 S C -0.934 173.677 174.600 0.019 0.000 1.084 500 S CA -0.609 57.572 58.200 -0.032 0.000 1.107 500 S CB 0.207 63.431 63.200 0.040 0.000 0.981 500 S HN 0.716 nan 8.310 nan 0.000 0.466 501 E N 4.237 124.356 120.200 -0.135 0.000 2.152 501 E HA 0.189 4.537 4.350 -0.003 0.000 0.285 501 E C -0.528 176.072 176.600 -0.000 0.000 1.043 501 E CA -0.371 56.053 56.400 0.040 0.000 0.839 501 E CB 0.498 30.202 29.700 0.007 0.000 1.069 501 E HN 0.520 nan 8.360 nan 0.000 0.399 502 K N 3.609 124.019 120.400 0.017 0.000 2.234 502 K HA 0.216 4.534 4.320 -0.003 0.000 0.277 502 K C -1.189 175.403 176.600 -0.014 0.000 1.038 502 K CA -0.366 55.897 56.287 -0.040 0.000 0.888 502 K CB 1.172 33.617 32.500 -0.093 0.000 1.091 502 K HN 0.337 nan 8.250 nan 0.000 0.467 503 T N 3.464 118.005 114.554 -0.020 0.000 2.874 503 T HA 0.142 4.491 4.350 -0.003 0.000 0.321 503 T C -0.527 174.146 174.700 -0.044 0.000 1.075 503 T CA -0.439 61.682 62.100 0.034 0.000 0.966 503 T CB 1.046 69.986 68.868 0.120 0.000 1.001 503 T HN 0.487 nan 8.240 nan 0.000 0.476 504 T N 4.474 119.042 114.554 0.023 0.000 2.851 504 T HA 0.305 4.654 4.350 -0.003 0.000 0.298 504 T C 0.065 174.862 174.700 0.161 0.000 0.977 504 T CA -0.232 61.901 62.100 0.055 0.000 1.126 504 T CB -0.089 68.903 68.868 0.207 0.000 0.916 504 T HN 0.252 nan 8.240 nan 0.000 0.529 505 F N 3.006 123.088 119.950 0.220 0.000 2.445 505 F HA 0.324 4.849 4.527 -0.003 0.000 0.359 505 F C 1.435 177.308 175.800 0.121 0.000 1.101 505 F CA -1.126 56.968 58.000 0.157 0.000 1.177 505 F CB 0.550 39.644 39.000 0.157 0.000 1.110 505 F HN 0.556 nan 8.300 nan 0.000 0.522 506 K N 0.616 121.186 120.400 0.284 0.000 2.141 506 K HA 0.064 4.382 4.320 -0.003 0.000 0.202 506 K C 0.744 177.427 176.600 0.138 0.000 1.045 506 K CA 0.977 57.368 56.287 0.175 0.000 0.971 506 K CB 0.173 32.754 32.500 0.135 0.000 0.795 506 K HN 0.718 nan 8.250 nan 0.000 0.459 507 T N -2.663 111.963 114.554 0.120 0.000 2.930 507 T HA 0.243 4.591 4.350 -0.003 0.000 0.290 507 T C 1.310 176.035 174.700 0.041 0.000 1.052 507 T CA -0.935 61.209 62.100 0.073 0.000 1.017 507 T CB 1.753 70.651 68.868 0.049 0.000 1.137 507 T HN -0.215 nan 8.240 nan 0.000 0.511 508 V N 1.356 121.281 119.914 0.018 0.000 2.278 508 V HA -0.212 3.906 4.120 -0.003 0.000 0.251 508 V C 2.868 178.902 176.094 -0.099 0.000 1.062 508 V CA 2.477 64.761 62.300 -0.026 0.000 1.038 508 V CB -0.911 30.909 31.823 -0.004 0.000 0.646 508 V HN 1.047 nan 8.190 nan 0.000 0.447 509 K N -0.184 120.174 120.400 -0.071 0.000 2.113 509 K HA -0.259 4.059 4.320 -0.003 0.000 0.208 509 K C 1.792 178.304 176.600 -0.147 0.000 1.047 509 K CA 1.978 58.204 56.287 -0.100 0.000 0.928 509 K CB -0.282 32.190 32.500 -0.047 0.000 0.716 509 K HN 0.514 nan 8.250 nan 0.000 0.446 510 D N 0.068 120.403 120.400 -0.109 0.000 2.218 510 D HA -0.133 4.505 4.640 -0.003 0.000 0.204 510 D C 1.919 177.907 176.300 -0.520 0.000 0.976 510 D CA 1.547 55.481 54.000 -0.110 0.000 0.853 510 D CB -0.091 40.773 40.800 0.107 0.000 0.939 510 D HN 0.376 nan 8.370 nan 0.000 0.481 511 S N 0.060 115.295 115.700 -0.776 0.000 2.461 511 S HA -0.033 4.436 4.470 -0.003 0.000 0.228 511 S C 1.235 175.350 174.600 -0.808 0.000 1.005 511 S CA -0.109 57.198 58.200 -1.488 0.000 0.942 511 S CB -0.452 62.267 63.200 -0.802 0.000 0.776 511 S HN 0.161 nan 8.310 nan 0.000 0.514 512 L N 3.757 124.666 121.223 -0.522 0.000 2.536 512 L HA 0.288 4.626 4.340 -0.003 0.000 0.282 512 L C 0.181 176.894 176.870 -0.261 0.000 1.174 512 L CA -0.197 54.315 54.840 -0.546 0.000 0.989 512 L CB -0.821 40.737 42.059 -0.835 0.000 1.311 512 L HN 0.387 nan 8.230 nan 0.000 0.455 513 T N -1.165 113.401 114.554 0.020 0.000 2.903 513 T HA 0.525 4.873 4.350 -0.003 0.000 0.299 513 T C -0.422 174.563 174.700 0.474 0.000 1.093 513 T CA -1.101 61.184 62.100 0.309 0.000 1.002 513 T CB 2.371 71.537 68.868 0.497 0.000 1.127 513 T HN 0.184 nan 8.240 nan 0.000 0.488 514 N N 0.181 119.170 118.700 0.481 0.000 2.404 514 N HA 0.361 5.099 4.740 -0.003 0.000 0.297 514 N C -1.151 174.740 175.510 0.635 0.000 1.163 514 N CA -0.667 52.685 53.050 0.504 0.000 0.864 514 N CB 1.204 39.873 38.487 0.302 0.000 1.247 514 N HN 0.763 nan 8.380 nan 0.000 0.510 515 Y N 1.037 121.705 120.300 0.615 0.000 2.702 515 Y HA -0.016 4.532 4.550 -0.003 0.000 0.336 515 Y C -0.184 175.848 175.900 0.220 0.000 1.235 515 Y CA 0.646 59.030 58.100 0.473 0.000 1.492 515 Y CB 0.476 39.229 38.460 0.488 0.000 1.308 515 Y HN 0.302 nan 8.280 nan 0.000 0.589 516 E N 3.591 123.270 120.200 -0.868 0.000 2.255 516 E HA 0.133 4.481 4.350 -0.003 0.000 0.256 516 E C 0.411 176.483 176.600 -0.881 0.000 0.887 516 E CA 0.029 56.054 56.400 -0.626 0.000 0.782 516 E CB 1.613 31.135 29.700 -0.297 0.000 1.214 516 E HN 0.782 nan 8.360 nan 0.000 0.417 517 S N 1.602 116.960 115.700 -0.571 0.000 2.399 517 S HA -0.152 4.316 4.470 -0.003 0.000 0.231 517 S C 1.822 176.319 174.600 -0.171 0.000 1.022 517 S CA 0.948 58.993 58.200 -0.259 0.000 0.983 517 S CB -0.061 63.133 63.200 -0.011 0.000 0.803 517 S HN 0.472 nan 8.310 nan 0.000 0.480 518 A N 1.775 124.496 122.820 -0.165 0.000 2.070 518 A HA 0.023 4.341 4.320 -0.003 0.000 0.220 518 A C 2.251 179.755 177.584 -0.134 0.000 1.159 518 A CA 1.696 53.663 52.037 -0.116 0.000 0.656 518 A CB -0.889 18.057 19.000 -0.089 0.000 0.800 518 A HN 0.786 nan 8.150 nan 0.000 0.453 519 T N -5.517 108.930 114.554 -0.179 0.000 3.091 519 T HA 0.427 4.775 4.350 -0.003 0.000 0.277 519 T C 1.075 175.673 174.700 -0.169 0.000 0.996 519 T CA 0.881 62.876 62.100 -0.175 0.000 0.897 519 T CB -0.064 68.698 68.868 -0.177 0.000 1.109 519 T HN 1.600 nan 8.240 nan 0.000 0.534 520 G N 2.824 111.530 108.800 -0.157 0.000 2.395 520 G HA2 -0.346 3.612 3.960 -0.003 0.000 0.300 520 G HA3 -0.346 3.612 3.960 -0.003 0.000 0.300 520 G C 0.017 174.901 174.900 -0.028 0.000 0.998 520 G CA 0.312 45.391 45.100 -0.035 0.000 1.046 520 G HN 0.923 nan 8.290 nan 0.000 0.513 521 R N 0.122 120.510 120.500 -0.187 0.000 2.537 521 R HA 0.336 4.674 4.340 -0.003 0.000 0.281 521 R C 0.941 177.108 176.300 -0.221 0.000 0.988 521 R CA 0.821 56.750 56.100 -0.286 0.000 1.077 521 R CB 0.223 30.223 30.300 -0.499 0.000 0.932 521 R HN 0.587 nan 8.270 nan 0.000 0.409 522 S N 4.088 119.603 115.700 -0.309 0.000 2.689 522 S HA 0.595 5.063 4.470 -0.003 0.000 0.306 522 S C -0.985 173.423 174.600 -0.320 0.000 1.104 522 S CA -1.005 57.084 58.200 -0.185 0.000 0.973 522 S CB 1.380 64.585 63.200 0.008 0.000 1.121 522 S HN 0.625 nan 8.310 nan 0.000 0.523 523 W N 0.489 121.893 121.300 0.174 0.000 2.819 523 W HA 0.416 5.074 4.660 -0.003 0.000 0.337 523 W C -1.294 175.312 176.519 0.146 0.000 1.077 523 W CA -0.512 56.965 57.345 0.220 0.000 1.226 523 W CB 1.996 31.720 29.460 0.441 0.000 1.419 523 W HN 0.601 nan 8.180 nan 0.000 0.502 524 D N 2.110 122.727 120.400 0.362 0.000 2.185 524 D HA 0.514 5.152 4.640 -0.003 0.000 0.247 524 D C -0.409 176.137 176.300 0.410 0.000 1.027 524 D CA -0.336 53.847 54.000 0.306 0.000 0.861 524 D CB 2.110 43.037 40.800 0.212 0.000 1.202 524 D HN 0.091 nan 8.370 nan 0.000 0.453 525 I N 3.110 123.875 120.570 0.325 0.000 2.382 525 I HA 0.416 4.584 4.170 -0.003 0.000 0.286 525 I C -0.610 175.722 176.117 0.357 0.000 1.002 525 I CA -0.912 60.556 61.300 0.280 0.000 1.135 525 I CB 0.491 38.560 38.000 0.115 0.000 1.288 525 I HN 0.225 nan 8.210 nan 0.000 0.448 526 F N 4.039 124.072 119.950 0.138 0.000 2.664 526 F HA 0.588 5.114 4.527 -0.003 0.000 0.317 526 F C -0.949 174.911 175.800 0.101 0.000 1.108 526 F CA -1.138 56.935 58.000 0.122 0.000 0.957 526 F CB 1.270 40.324 39.000 0.090 0.000 1.365 526 F HN 0.207 nan 8.300 nan 0.000 0.475 527 N N 2.466 121.310 118.700 0.238 0.000 2.558 527 N HA 0.388 5.126 4.740 -0.003 0.000 0.242 527 N C -2.248 173.371 175.510 0.181 0.000 0.979 527 N CA -2.600 50.510 53.050 0.100 0.000 0.931 527 N CB 1.601 40.138 38.487 0.083 0.000 1.122 527 N HN 0.435 nan 8.380 nan 0.000 0.508 528 P HA 0.064 nan 4.420 nan 0.000 0.245 528 P C 0.090 177.452 177.300 0.104 0.000 1.212 528 P CA 0.443 63.672 63.100 0.215 0.000 0.774 528 P CB 0.461 32.279 31.700 0.195 0.000 0.999 529 N N 0.093 118.828 118.700 0.058 0.000 2.398 529 N HA 0.056 4.795 4.740 -0.003 0.000 0.188 529 N C 0.493 176.014 175.510 0.018 0.000 1.122 529 N CA 0.530 53.598 53.050 0.030 0.000 0.866 529 N CB 0.529 39.023 38.487 0.012 0.000 0.970 529 N HN 0.351 nan 8.380 nan 0.000 0.462 530 K N 0.184 120.599 120.400 0.025 0.000 2.443 530 K HA 0.550 4.868 4.320 -0.003 0.000 0.251 530 K C -1.370 175.228 176.600 -0.002 0.000 0.972 530 K CA -0.666 55.617 56.287 -0.006 0.000 0.833 530 K CB 3.385 35.863 32.500 -0.037 0.000 1.317 530 K HN -0.282 nan 8.250 nan 0.000 0.441 531 V N 1.465 121.361 119.914 -0.030 0.000 2.760 531 V HA 0.269 4.387 4.120 -0.003 0.000 0.309 531 V C -1.243 174.819 176.094 -0.054 0.000 1.077 531 V CA -0.859 61.422 62.300 -0.031 0.000 0.910 531 V CB 1.978 33.789 31.823 -0.021 0.000 1.008 531 V HN 0.795 nan 8.190 nan 0.000 0.424 532 N N 7.593 126.268 118.700 -0.041 0.000 2.475 532 N HA 0.233 4.971 4.740 -0.003 0.000 0.267 532 N C -1.719 173.770 175.510 -0.035 0.000 1.169 532 N CA -1.054 51.969 53.050 -0.045 0.000 0.947 532 N CB 1.990 40.500 38.487 0.039 0.000 1.061 532 N HN 0.515 nan 8.380 nan 0.000 0.466 533 P HA -0.061 nan 4.420 nan 0.000 0.233 533 P C 0.468 177.837 177.300 0.115 0.000 1.167 533 P CA 0.951 64.023 63.100 -0.046 0.000 0.770 533 P CB 0.183 31.807 31.700 -0.126 0.000 0.837 534 Y N 1.204 121.511 120.300 0.011 0.000 2.222 534 Y HA -0.019 4.529 4.550 -0.003 0.000 0.290 534 Y C 2.882 178.796 175.900 0.024 0.000 1.123 534 Y CA 1.026 59.135 58.100 0.015 0.000 1.120 534 Y CB -1.418 37.054 38.460 0.019 0.000 1.060 534 Y HN 0.042 nan 8.280 nan 0.000 0.508 535 S N -1.082 114.758 115.700 0.233 0.000 2.461 535 S HA 0.180 4.648 4.470 -0.003 0.000 0.228 535 S C 1.917 176.549 174.600 0.053 0.000 1.005 535 S CA 0.774 59.071 58.200 0.161 0.000 0.942 535 S CB -0.355 63.025 63.200 0.299 0.000 0.776 535 S HN 0.669 nan 8.310 nan 0.000 0.514 536 G N 0.971 109.791 108.800 0.034 0.000 2.179 536 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.260 536 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.260 536 G C -0.015 174.841 174.900 -0.074 0.000 0.977 536 G CA 0.363 45.454 45.100 -0.015 0.000 0.641 536 G HN 0.521 nan 8.290 nan 0.000 0.533 537 K N 0.990 121.305 120.400 -0.141 0.000 2.095 537 K HA 0.537 4.856 4.320 -0.003 0.000 0.252 537 K C -2.287 174.226 176.600 -0.144 0.000 0.977 537 K CA -2.299 53.830 56.287 -0.264 0.000 0.900 537 K CB 1.324 33.398 32.500 -0.710 0.000 1.060 537 K HN 0.141 nan 8.250 nan 0.000 0.449 538 P HA 0.126 nan 4.420 nan 0.000 0.272 538 P C -2.492 174.853 177.300 0.074 0.000 1.223 538 P CA -1.294 61.820 63.100 0.024 0.000 0.784 538 P CB -0.354 31.439 31.700 0.156 0.000 0.923 539 P HA 0.041 nan 4.420 nan 0.000 0.268 539 P C -0.267 177.210 177.300 0.294 0.000 1.204 539 P CA 0.428 63.601 63.100 0.121 0.000 0.768 539 P CB 0.477 32.120 31.700 -0.094 0.000 0.842 540 S N 2.256 118.161 115.700 0.342 0.000 2.579 540 S HA 0.581 5.049 4.470 -0.003 0.000 0.272 540 S C -1.612 173.133 174.600 0.242 0.000 1.141 540 S CA -0.676 57.727 58.200 0.339 0.000 0.843 540 S CB 1.055 64.416 63.200 0.269 0.000 1.122 540 S HN 0.233 nan 8.310 nan 0.000 0.468 541 Y N 1.161 121.511 120.300 0.082 0.000 2.352 541 Y HA 0.582 5.130 4.550 -0.003 0.000 0.339 541 Y C 0.294 176.237 175.900 0.071 0.000 0.992 541 Y CA -0.541 57.568 58.100 0.014 0.000 1.100 541 Y CB 1.815 40.247 38.460 -0.046 0.000 1.192 541 Y HN 0.813 nan 8.280 nan 0.000 0.458 542 K N 4.356 124.816 120.400 0.100 0.000 2.235 542 K HA 0.425 4.743 4.320 -0.003 0.000 0.266 542 K C -1.388 175.273 176.600 0.102 0.000 0.980 542 K CA -0.929 55.424 56.287 0.110 0.000 0.849 542 K CB 0.845 33.386 32.500 0.068 0.000 1.098 542 K HN 0.626 nan 8.250 nan 0.000 0.445 543 L N 5.779 127.073 121.223 0.118 0.000 2.369 543 L HA 0.210 4.548 4.340 -0.003 0.000 0.279 543 L C -1.289 175.679 176.870 0.163 0.000 1.108 543 L CA 0.100 54.987 54.840 0.079 0.000 0.852 543 L CB 1.031 43.092 42.059 0.004 0.000 1.169 543 L HN 0.362 nan 8.230 nan 0.000 0.452 544 V N 4.973 124.934 119.914 0.079 0.000 2.313 544 V HA 0.609 4.727 4.120 -0.003 0.000 0.278 544 V C -0.044 176.070 176.094 0.034 0.000 1.017 544 V CA -0.275 62.070 62.300 0.074 0.000 0.823 544 V CB 0.942 32.786 31.823 0.035 0.000 1.010 544 V HN 0.841 nan 8.190 nan 0.000 0.443 545 S N 2.830 118.570 115.700 0.066 0.000 2.652 545 S HA 0.422 4.891 4.470 -0.003 0.000 0.273 545 S C 0.460 174.983 174.600 -0.128 0.000 1.172 545 S CA 0.209 58.433 58.200 0.039 0.000 1.009 545 S CB 1.734 65.040 63.200 0.178 0.000 1.094 545 S HN 0.944 nan 8.310 nan 0.000 0.471 546 T N 1.395 115.800 114.554 -0.248 0.000 2.975 546 T HA 0.288 4.637 4.350 -0.003 0.000 0.257 546 T C 0.376 174.943 174.700 -0.222 0.000 1.003 546 T CA -0.045 61.707 62.100 -0.582 0.000 0.932 546 T CB -0.108 68.536 68.868 -0.373 0.000 1.087 546 T HN 0.572 nan 8.240 nan 0.000 0.512 547 Q N 1.042 120.833 119.800 -0.016 0.000 2.844 547 Q HA 0.371 4.709 4.340 -0.003 0.000 0.235 547 Q C -0.967 175.150 176.000 0.195 0.000 1.336 547 Q CA -0.474 55.391 55.803 0.103 0.000 1.026 547 Q CB -0.258 28.561 28.738 0.135 0.000 1.513 547 Q HN 0.437 nan 8.270 nan 0.000 0.577 548 C N 3.026 122.436 119.300 0.183 0.000 3.188 548 C HA 0.347 4.805 4.460 -0.003 0.000 0.230 548 C C -2.189 172.942 174.990 0.234 0.000 1.239 548 C CA -1.798 57.371 59.018 0.253 0.000 1.494 548 C CB -0.328 27.637 27.740 0.375 0.000 1.798 548 C HN 0.558 nan 8.230 nan 0.000 0.458 549 P HA 0.255 nan 4.420 nan 0.000 0.275 549 P C -2.196 175.165 177.300 0.101 0.000 1.228 549 P CA -0.727 62.450 63.100 0.128 0.000 0.786 549 P CB 0.117 31.865 31.700 0.080 0.000 0.927 550 P HA 0.057 nan 4.420 nan 0.000 0.271 550 P C -0.580 176.710 177.300 -0.015 0.000 1.218 550 P CA -0.316 62.806 63.100 0.037 0.000 0.780 550 P CB 0.551 32.275 31.700 0.040 0.000 0.901 551 L N 3.286 124.466 121.223 -0.071 0.000 2.418 551 L HA 0.040 4.379 4.340 -0.003 0.000 0.274 551 L C 1.145 177.958 176.870 -0.095 0.000 1.135 551 L CA 0.404 55.174 54.840 -0.117 0.000 0.870 551 L CB -0.417 41.528 42.059 -0.191 0.000 1.154 551 L HN 0.335 nan 8.230 nan 0.000 0.462 552 L N 4.855 126.029 121.223 -0.081 0.000 2.209 552 L HA 0.188 4.526 4.340 -0.003 0.000 0.207 552 L C 1.397 178.222 176.870 -0.075 0.000 1.094 552 L CA 0.415 55.225 54.840 -0.051 0.000 0.790 552 L CB -0.456 41.592 42.059 -0.017 0.000 0.932 552 L HN 0.832 nan 8.230 nan 0.000 0.447 553 A N 0.744 123.496 122.820 -0.113 0.000 2.540 553 A HA 0.107 4.425 4.320 -0.003 0.000 0.239 553 A C 0.237 177.741 177.584 -0.134 0.000 1.061 553 A CA -0.019 51.937 52.037 -0.136 0.000 0.758 553 A CB 0.023 18.917 19.000 -0.177 0.000 0.991 553 A HN 0.081 nan 8.150 nan 0.000 0.502 554 K N 1.406 121.733 120.400 -0.123 0.000 2.219 554 K HA 0.182 4.500 4.320 -0.003 0.000 0.258 554 K C 0.257 176.779 176.600 -0.129 0.000 1.008 554 K CA 0.185 56.407 56.287 -0.109 0.000 0.928 554 K CB 0.352 32.797 32.500 -0.091 0.000 0.983 554 K HN 0.774 nan 8.250 nan 0.000 0.484 555 E N 0.222 120.354 120.200 -0.114 0.000 2.502 555 E HA 0.015 4.363 4.350 -0.003 0.000 0.261 555 E C 0.796 177.323 176.600 -0.123 0.000 0.974 555 E CA 0.926 57.254 56.400 -0.120 0.000 0.936 555 E CB 0.167 29.811 29.700 -0.093 0.000 0.926 555 E HN 0.783 nan 8.360 nan 0.000 0.459 556 G N 2.526 111.240 108.800 -0.143 0.000 2.179 556 G HA2 -0.347 3.611 3.960 -0.003 0.000 0.260 556 G HA3 -0.347 3.611 3.960 -0.003 0.000 0.260 556 G C 0.399 175.197 174.900 -0.170 0.000 0.977 556 G CA 0.398 45.410 45.100 -0.147 0.000 0.641 556 G HN 0.696 nan 8.290 nan 0.000 0.533 557 S N -0.264 115.326 115.700 -0.183 0.000 2.600 557 S HA 0.621 5.089 4.470 -0.003 0.000 0.265 557 S C 1.646 176.085 174.600 -0.268 0.000 1.325 557 S CA -0.041 58.037 58.200 -0.204 0.000 1.002 557 S CB 1.493 64.571 63.200 -0.202 0.000 0.921 557 S HN 0.426 nan 8.310 nan 0.000 0.554 558 L N 1.223 122.273 121.223 -0.288 0.000 2.013 558 L HA -0.150 4.188 4.340 -0.003 0.000 0.212 558 L C 2.625 179.212 176.870 -0.471 0.000 1.073 558 L CA 1.483 56.098 54.840 -0.376 0.000 0.753 558 L CB -0.657 41.190 42.059 -0.355 0.000 0.890 558 L HN 0.683 nan 8.230 nan 0.000 0.432 559 V N -0.302 119.313 119.914 -0.499 0.000 2.261 559 V HA -0.323 3.795 4.120 -0.003 0.000 0.246 559 V C 2.659 178.537 176.094 -0.361 0.000 1.047 559 V CA 1.936 63.965 62.300 -0.451 0.000 1.015 559 V CB -0.867 30.744 31.823 -0.353 0.000 0.642 559 V HN 0.539 nan 8.190 nan 0.000 0.446 560 A N -0.543 122.082 122.820 -0.325 0.000 1.933 560 A HA -0.219 4.099 4.320 -0.003 0.000 0.218 560 A C 2.269 179.665 177.584 -0.315 0.000 1.175 560 A CA 1.895 53.747 52.037 -0.307 0.000 0.628 560 A CB -0.383 18.468 19.000 -0.248 0.000 0.814 560 A HN 0.573 nan 8.150 nan 0.000 0.444 561 K N -0.670 119.525 120.400 -0.342 0.000 2.062 561 K HA -0.034 4.284 4.320 -0.003 0.000 0.205 561 K C 2.155 178.456 176.600 -0.498 0.000 1.051 561 K CA 1.259 57.306 56.287 -0.401 0.000 0.941 561 K CB -0.130 32.090 32.500 -0.466 0.000 0.719 561 K HN 0.356 nan 8.250 nan 0.000 0.440 562 R N 0.078 120.296 120.500 -0.470 0.000 2.236 562 R HA 0.081 4.419 4.340 -0.003 0.000 0.208 562 R C 0.464 176.739 176.300 -0.041 0.000 1.036 562 R CA 0.634 56.527 56.100 -0.344 0.000 1.001 562 R CB 0.344 30.539 30.300 -0.175 0.000 0.896 562 R HN 0.010 nan 8.270 nan 0.000 0.464 563 A N 1.530 124.206 122.820 -0.240 0.000 3.204 563 A HA 0.293 4.612 4.320 -0.003 0.000 0.327 563 A C -2.006 175.165 177.584 -0.688 0.000 0.998 563 A CA -1.269 50.465 52.037 -0.505 0.000 0.891 563 A CB 0.522 19.060 19.000 -0.769 0.000 1.061 563 A HN -0.069 nan 8.150 nan 0.000 0.478 564 P HA -0.169 nan 4.420 nan 0.000 0.219 564 P C 1.405 178.592 177.300 -0.188 0.000 1.146 564 P CA 1.071 64.043 63.100 -0.212 0.000 0.808 564 P CB -0.215 31.445 31.700 -0.067 0.000 0.779 565 W N 0.123 121.377 121.300 -0.076 0.000 2.465 565 W HA 0.222 4.881 4.660 -0.002 0.000 0.268 565 W C 1.496 178.015 176.519 0.000 0.000 1.242 565 W CA 0.630 57.946 57.345 -0.048 0.000 1.248 565 W CB -1.716 27.698 29.460 -0.078 0.000 1.118 565 W HN -0.081 nan 8.180 nan 0.000 0.587 566 A N 1.590 123.964 122.820 -0.743 0.000 2.167 566 A HA -0.081 4.237 4.320 -0.003 0.000 0.214 566 A C 2.160 179.565 177.584 -0.297 0.000 1.151 566 A CA 1.539 53.184 52.037 -0.654 0.000 0.735 566 A CB -0.853 17.456 19.000 -1.152 0.000 0.802 566 A HN 0.315 nan 8.150 nan 0.000 0.467 567 S N -0.850 114.686 115.700 -0.273 0.000 2.489 567 S HA 0.031 4.499 4.470 -0.003 0.000 0.228 567 S C 0.402 174.729 174.600 -0.456 0.000 0.995 567 S CA 0.257 58.262 58.200 -0.326 0.000 0.934 567 S CB -0.378 62.614 63.200 -0.347 0.000 0.771 567 S HN 0.660 nan 8.310 nan 0.000 0.522 568 H N -0.228 118.841 119.070 -0.002 0.000 2.690 568 H HA 0.551 5.105 4.556 -0.003 0.000 0.368 568 H C 0.588 175.972 175.328 0.095 0.000 1.150 568 H CA -0.401 55.679 56.048 0.053 0.000 1.174 568 H CB 1.854 31.634 29.762 0.029 0.000 1.684 568 H HN -0.038 nan 8.280 nan 0.000 0.538 569 S N 0.717 116.575 115.700 0.263 0.000 2.402 569 S HA 0.006 4.474 4.470 -0.003 0.000 0.229 569 S C 0.483 175.154 174.600 0.119 0.000 1.021 569 S CA 0.619 58.953 58.200 0.224 0.000 0.974 569 S CB 0.291 63.722 63.200 0.385 0.000 0.800 569 S HN 0.255 nan 8.310 nan 0.000 0.484 570 V N 2.640 122.556 119.914 0.004 0.000 2.638 570 V HA 0.418 4.537 4.120 -0.003 0.000 0.306 570 V C -1.061 174.911 176.094 -0.203 0.000 1.052 570 V CA -0.961 61.170 62.300 -0.281 0.000 0.885 570 V CB 2.032 33.411 31.823 -0.740 0.000 0.999 570 V HN 0.259 nan 8.190 nan 0.000 0.424 571 N N 3.217 121.795 118.700 -0.204 0.000 2.410 571 N HA 0.583 5.321 4.740 -0.003 0.000 0.287 571 N C -1.437 174.002 175.510 -0.119 0.000 1.044 571 N CA -0.330 52.647 53.050 -0.122 0.000 0.881 571 N CB 2.793 41.309 38.487 0.048 0.000 1.405 571 N HN 0.342 nan 8.380 nan 0.000 0.490 572 V N 2.046 121.882 119.914 -0.130 0.000 2.444 572 V HA 0.511 4.629 4.120 -0.003 0.000 0.294 572 V C 0.221 176.360 176.094 0.075 0.000 1.022 572 V CA -0.774 61.525 62.300 -0.001 0.000 0.850 572 V CB 1.613 33.462 31.823 0.044 0.000 0.992 572 V HN 0.491 nan 8.190 nan 0.000 0.426 573 V N 3.246 123.250 119.914 0.148 0.000 3.102 573 V HA 0.795 4.913 4.120 -0.003 0.000 0.312 573 V C -2.918 173.231 176.094 0.092 0.000 1.135 573 V CA -3.062 59.310 62.300 0.120 0.000 1.022 573 V CB 2.179 34.100 31.823 0.163 0.000 1.056 573 V HN 0.618 nan 8.190 nan 0.000 0.436 574 P HA 0.158 nan 4.420 nan 0.000 0.269 574 P C -1.098 176.194 177.300 -0.013 0.000 1.209 574 P CA 0.188 63.313 63.100 0.042 0.000 0.776 574 P CB 0.022 31.736 31.700 0.024 0.000 0.876 575 Y N 3.188 123.451 120.300 -0.062 0.000 2.511 575 Y HA 0.188 4.736 4.550 -0.003 0.000 0.332 575 Y C 0.227 176.050 175.900 -0.129 0.000 1.177 575 Y CA 0.889 58.924 58.100 -0.108 0.000 1.422 575 Y CB 0.328 38.738 38.460 -0.083 0.000 1.271 575 Y HN 0.245 nan 8.280 nan 0.000 0.550 576 K N 3.943 123.707 120.400 -1.060 0.000 2.508 576 K HA 0.276 4.594 4.320 -0.003 0.000 0.260 576 K C -1.440 174.499 176.600 -1.102 0.000 0.949 576 K CA -0.785 55.035 56.287 -0.778 0.000 0.834 576 K CB 1.247 33.481 32.500 -0.443 0.000 1.365 576 K HN 0.574 nan 8.250 nan 0.000 0.437 577 D N 1.609 121.706 120.400 -0.505 0.000 2.399 577 D HA -0.030 4.608 4.640 -0.003 0.000 0.241 577 D C 0.436 176.542 176.300 -0.324 0.000 1.133 577 D CA 0.774 54.599 54.000 -0.293 0.000 0.890 577 D CB 0.549 41.327 40.800 -0.036 0.000 1.201 577 D HN 0.685 nan 8.370 nan 0.000 0.432 578 N N 0.844 119.383 118.700 -0.268 0.000 2.741 578 N HA -0.228 4.511 4.740 -0.003 0.000 0.251 578 N C -0.670 174.638 175.510 -0.336 0.000 1.112 578 N CA 0.243 53.133 53.050 -0.266 0.000 0.750 578 N CB -0.311 38.058 38.487 -0.196 0.000 1.119 578 N HN 0.352 nan 8.380 nan 0.000 0.561 579 R N 1.061 121.253 120.500 -0.513 0.000 2.870 579 R HA 0.224 4.562 4.340 -0.003 0.000 0.254 579 R C 1.177 177.135 176.300 -0.570 0.000 1.392 579 R CA -0.143 55.511 56.100 -0.745 0.000 1.322 579 R CB 0.358 29.899 30.300 -1.266 0.000 1.205 579 R HN 0.307 nan 8.270 nan 0.000 0.597 580 L N 0.865 121.861 121.223 -0.379 0.000 2.433 580 L HA 0.196 4.534 4.340 -0.003 0.000 0.200 580 L C -0.171 176.565 176.870 -0.224 0.000 1.059 580 L CA 0.411 54.928 54.840 -0.538 0.000 0.835 580 L CB 0.224 41.511 42.059 -1.287 0.000 1.076 580 L HN 0.345 nan 8.230 nan 0.000 0.481 581 Y N 1.083 121.562 120.300 0.298 0.000 2.402 581 Y HA 0.296 4.844 4.550 -0.003 0.000 0.332 581 Y C -1.707 174.195 175.900 0.003 0.000 0.960 581 Y CA -3.284 54.883 58.100 0.111 0.000 1.228 581 Y CB 0.185 38.619 38.460 -0.044 0.000 1.120 581 Y HN -0.064 nan 8.280 nan 0.000 0.491 582 P HA -0.017 nan 4.420 nan 0.000 0.237 582 P C 0.529 177.708 177.300 -0.201 0.000 1.178 582 P CA 0.768 63.591 63.100 -0.462 0.000 0.766 582 P CB 0.585 31.962 31.700 -0.538 0.000 0.876 583 S N -0.715 114.986 115.700 0.001 0.000 2.572 583 S HA 0.478 4.946 4.470 -0.003 0.000 0.228 583 S C 0.868 175.381 174.600 -0.146 0.000 0.963 583 S CA 0.324 58.607 58.200 0.138 0.000 0.939 583 S CB -0.144 63.272 63.200 0.361 0.000 0.804 583 S HN 0.493 nan 8.310 nan 0.000 0.480 584 G N 1.407 110.055 108.800 -0.253 0.000 2.662 584 G HA2 -0.139 3.819 3.960 -0.003 0.000 0.686 584 G HA3 -0.139 3.819 3.960 -0.003 0.000 0.686 584 G C -0.431 174.363 174.900 -0.175 0.000 1.271 584 G CA -0.448 44.451 45.100 -0.335 0.000 0.816 584 G HN 0.181 nan 8.290 nan 0.000 0.608 585 D N -0.058 120.222 120.400 -0.199 0.000 2.149 585 D HA 0.037 4.675 4.640 -0.003 0.000 0.201 585 D C 0.842 176.825 176.300 -0.528 0.000 0.972 585 D CA 1.427 55.255 54.000 -0.286 0.000 0.835 585 D CB -0.003 40.595 40.800 -0.338 0.000 0.966 585 D HN 0.497 nan 8.370 nan 0.000 0.476 586 H N 0.253 119.286 119.070 -0.062 0.000 2.786 586 H HA 0.256 4.810 4.556 -0.003 0.000 0.284 586 H C 0.885 176.188 175.328 -0.041 0.000 1.104 586 H CA -0.300 55.727 56.048 -0.036 0.000 1.339 586 H CB 1.609 31.362 29.762 -0.015 0.000 1.427 586 H HN -0.200 nan 8.280 nan 0.000 0.497 587 V N 3.883 123.832 119.914 0.058 0.000 2.379 587 V HA -0.005 4.113 4.120 -0.003 0.000 0.243 587 V C -1.629 174.560 176.094 0.159 0.000 1.035 587 V CA 0.466 62.822 62.300 0.092 0.000 1.035 587 V CB -0.913 30.930 31.823 0.032 0.000 0.673 587 V HN 0.455 nan 8.190 nan 0.000 0.457 588 P HA 0.044 nan 4.420 nan 0.000 0.262 588 P C 0.260 177.670 177.300 0.183 0.000 1.182 588 P CA 0.887 64.044 63.100 0.096 0.000 0.761 588 P CB 0.130 31.855 31.700 0.041 0.000 0.795 589 Q N -1.555 118.385 119.800 0.235 0.000 2.324 589 Q HA -0.227 4.112 4.340 -0.003 0.000 0.200 589 Q C -0.250 176.020 176.000 0.450 0.000 0.645 589 Q CA 0.497 56.500 55.803 0.334 0.000 1.377 589 Q CB -1.826 27.047 28.738 0.226 0.000 1.486 589 Q HN 0.523 nan 8.270 nan 0.000 0.796 590 W N 2.168 123.556 121.300 0.145 0.000 2.251 590 W HA 0.241 4.900 4.660 -0.002 0.000 0.327 590 W C 1.286 177.731 176.519 -0.124 0.000 1.361 590 W CA 0.304 57.675 57.345 0.044 0.000 1.234 590 W CB 0.530 29.994 29.460 0.007 0.000 1.212 590 W HN 0.147 nan 8.180 nan 0.000 0.557 591 S N 3.555 118.876 115.700 -0.632 0.000 2.481 591 S HA 0.093 4.561 4.470 -0.003 0.000 0.231 591 S C 1.619 175.440 174.600 -1.299 0.000 0.996 591 S CA 0.810 58.220 58.200 -1.317 0.000 0.942 591 S CB -0.402 62.265 63.200 -0.890 0.000 0.768 591 S HN 1.692 nan 8.310 nan 0.000 0.520 592 G N 0.782 108.324 108.800 -2.097 0.000 2.175 592 G HA2 -0.182 3.777 3.960 -0.003 0.000 0.244 592 G HA3 -0.182 3.777 3.960 -0.003 0.000 0.244 592 G C -0.455 173.794 174.900 -1.085 0.000 0.982 592 G CA 0.105 43.970 45.100 -2.059 0.000 0.641 592 G HN 0.578 nan 8.290 nan 0.000 0.527 593 D N 1.230 121.222 120.400 -0.681 0.000 2.264 593 D HA 0.548 5.186 4.640 -0.003 0.000 0.250 593 D C 0.744 177.171 176.300 0.211 0.000 1.113 593 D CA 1.461 55.361 54.000 -0.167 0.000 0.871 593 D CB 1.297 42.020 40.800 -0.129 0.000 1.167 593 D HN 1.369 nan 8.370 nan 0.000 0.447 594 G N 0.245 109.163 108.800 0.197 0.000 2.406 594 G HA2 -0.071 3.887 3.960 -0.003 0.000 0.680 594 G HA3 -0.071 3.887 3.960 -0.003 0.000 0.680 594 G C -1.067 173.945 174.900 0.185 0.000 1.338 594 G CA -0.997 44.235 45.100 0.221 0.000 0.941 594 G HN 0.334 nan 8.290 nan 0.000 0.633 595 V N 2.329 122.284 119.914 0.068 0.000 2.284 595 V HA 0.646 4.764 4.120 -0.003 0.000 0.260 595 V C 0.775 176.824 176.094 -0.074 0.000 1.084 595 V CA 0.544 62.845 62.300 0.003 0.000 0.894 595 V CB -0.265 31.556 31.823 -0.003 0.000 1.119 595 V HN 1.031 nan 8.190 nan 0.000 0.484 596 R N 2.669 123.076 120.500 -0.155 0.000 2.766 596 R HA 0.837 5.175 4.340 -0.003 0.000 0.270 596 R C 0.485 176.488 176.300 -0.494 0.000 1.035 596 R CA -0.155 55.754 56.100 -0.319 0.000 0.911 596 R CB 1.055 31.084 30.300 -0.451 0.000 1.243 596 R HN 0.762 nan 8.270 nan 0.000 0.460 597 G N 1.048 109.451 108.800 -0.663 0.000 2.594 597 G HA2 -0.435 3.523 3.960 -0.003 0.000 0.297 597 G HA3 -0.435 3.523 3.960 -0.003 0.000 0.297 597 G C 0.565 174.366 174.900 -1.831 0.000 1.273 597 G CA 0.909 45.336 45.100 -1.122 0.000 0.974 597 G HN 0.780 nan 8.290 nan 0.000 0.552 598 M N 0.470 119.230 119.600 -1.400 0.000 2.202 598 M HA -0.011 4.467 4.480 -0.003 0.000 0.262 598 M C 2.402 178.430 176.300 -0.454 0.000 1.063 598 M CA 2.787 57.550 55.300 -0.895 0.000 1.097 598 M CB -0.504 31.869 32.600 -0.378 0.000 1.382 598 M HN 0.620 nan 8.290 nan 0.000 0.413 599 R N -0.396 119.900 120.500 -0.339 0.000 2.081 599 R HA -0.192 4.147 4.340 -0.003 0.000 0.235 599 R C 2.247 178.456 176.300 -0.151 0.000 1.131 599 R CA 1.969 57.973 56.100 -0.161 0.000 0.960 599 R CB -0.388 29.875 30.300 -0.062 0.000 0.856 599 R HN 0.658 nan 8.270 nan 0.000 0.436 600 E N -0.431 119.621 120.200 -0.246 0.000 2.051 600 E HA -0.199 4.149 4.350 -0.003 0.000 0.192 600 E C 1.477 178.102 176.600 0.041 0.000 0.991 600 E CA 1.366 57.696 56.400 -0.116 0.000 0.799 600 E CB -0.096 29.524 29.700 -0.132 0.000 0.748 600 E HN 0.423 nan 8.360 nan 0.000 0.449 601 W N 0.479 121.731 121.300 -0.079 0.000 2.402 601 W HA -0.039 4.620 4.660 -0.003 0.000 0.286 601 W C 2.092 178.574 176.519 -0.061 0.000 1.221 601 W CA 0.244 57.540 57.345 -0.082 0.000 1.257 601 W CB -0.873 28.515 29.460 -0.120 0.000 1.120 601 W HN 0.177 nan 8.180 nan 0.000 0.551 602 I N 0.015 120.655 120.570 0.117 0.000 2.353 602 I HA -0.079 4.089 4.170 -0.003 0.000 0.248 602 I C 2.171 178.308 176.117 0.033 0.000 1.119 602 I CA 1.358 62.687 61.300 0.048 0.000 1.417 602 I CB -1.057 36.939 38.000 -0.007 0.000 1.078 602 I HN 0.082 nan 8.210 nan 0.000 0.421 603 G N 2.273 111.088 108.800 0.026 0.000 2.611 603 G HA2 -0.435 3.523 3.960 -0.003 0.000 0.301 603 G HA3 -0.435 3.523 3.960 -0.003 0.000 0.301 603 G C 0.500 175.405 174.900 0.008 0.000 1.233 603 G CA 0.726 45.838 45.100 0.020 0.000 0.993 603 G HN 0.534 nan 8.290 nan 0.000 0.553 604 D N 1.249 121.656 120.400 0.011 0.000 2.328 604 D HA 0.387 5.025 4.640 -0.003 0.000 0.226 604 D C 1.787 178.089 176.300 0.003 0.000 1.066 604 D CA 1.123 55.126 54.000 0.006 0.000 0.861 604 D CB -0.408 40.397 40.800 0.009 0.000 0.912 604 D HN 2.168 nan 8.370 nan 0.000 0.521 605 G N 0.316 109.118 108.800 0.003 0.000 2.184 605 G HA2 -0.366 3.592 3.960 -0.003 0.000 0.264 605 G HA3 -0.366 3.592 3.960 -0.003 0.000 0.264 605 G C 1.103 176.006 174.900 0.005 0.000 0.975 605 G CA 0.852 45.948 45.100 -0.006 0.000 0.642 605 G HN 0.723 nan 8.290 nan 0.000 0.536 606 S N -0.667 115.041 115.700 0.015 0.000 2.524 606 S HA 0.325 4.793 4.470 -0.003 0.000 0.216 606 S C 0.616 175.233 174.600 0.029 0.000 0.987 606 S CA 0.624 58.836 58.200 0.021 0.000 0.909 606 S CB 0.395 63.607 63.200 0.020 0.000 0.781 606 S HN 0.613 nan 8.310 nan 0.000 0.521 607 E N 2.460 122.678 120.200 0.031 0.000 2.373 607 E HA 0.184 4.533 4.350 -0.003 0.000 0.267 607 E C -0.269 176.358 176.600 0.045 0.000 1.032 607 E CA -0.437 55.985 56.400 0.037 0.000 0.889 607 E CB 0.283 30.006 29.700 0.038 0.000 0.984 607 E HN 0.386 nan 8.360 nan 0.000 0.425 608 N N 2.489 121.217 118.700 0.047 0.000 2.458 608 N HA -0.015 4.723 4.740 -0.003 0.000 0.258 608 N C -0.016 175.533 175.510 0.065 0.000 1.219 608 N CA 0.324 53.408 53.050 0.056 0.000 0.902 608 N CB 0.370 38.886 38.487 0.049 0.000 1.076 608 N HN 0.552 nan 8.380 nan 0.000 0.455 609 I N -1.744 118.877 120.570 0.084 0.000 3.994 609 I HA 0.427 4.595 4.170 -0.003 0.000 0.323 609 I C -0.416 175.755 176.117 0.089 0.000 1.501 609 I CA -0.541 60.817 61.300 0.097 0.000 1.112 609 I CB 0.302 38.379 38.000 0.128 0.000 1.254 609 I HN 0.240 nan 8.210 nan 0.000 0.495 610 D N 2.521 122.964 120.400 0.072 0.000 2.280 610 D HA 0.206 4.844 4.640 -0.003 0.000 0.236 610 D C 0.215 176.521 176.300 0.010 0.000 1.082 610 D CA 0.059 54.085 54.000 0.043 0.000 0.834 610 D CB 0.625 41.471 40.800 0.076 0.000 1.100 610 D HN 0.253 nan 8.370 nan 0.000 0.486 611 N N 2.467 121.141 118.700 -0.043 0.000 2.681 611 N HA -0.214 4.525 4.740 -0.003 0.000 0.259 611 N C -1.422 174.080 175.510 -0.013 0.000 1.066 611 N CA 1.209 54.236 53.050 -0.040 0.000 0.717 611 N CB -0.971 37.509 38.487 -0.011 0.000 0.885 611 N HN 0.529 nan 8.380 nan 0.000 0.547 612 T N -0.671 113.875 114.554 -0.012 0.000 2.648 612 T HA 0.305 4.653 4.350 -0.003 0.000 0.304 612 T C -1.901 172.804 174.700 0.008 0.000 1.312 612 T CA -0.584 61.520 62.100 0.007 0.000 1.023 612 T CB 0.699 69.582 68.868 0.026 0.000 1.612 612 T HN 0.073 nan 8.240 nan 0.000 0.487 613 D N 2.477 122.890 120.400 0.020 0.000 2.325 613 D HA 0.442 5.080 4.640 -0.003 0.000 0.251 613 D C 0.232 176.591 176.300 0.098 0.000 1.196 613 D CA 0.063 54.076 54.000 0.022 0.000 0.866 613 D CB 0.377 41.170 40.800 -0.013 0.000 1.101 613 D HN 0.622 nan 8.370 nan 0.000 0.476 614 I N -1.688 118.941 120.570 0.098 0.000 2.957 614 I HA 0.606 4.775 4.170 -0.003 0.000 0.310 614 I C -1.082 175.133 176.117 0.165 0.000 1.063 614 I CA -1.149 60.233 61.300 0.138 0.000 1.033 614 I CB 1.892 39.975 38.000 0.137 0.000 1.230 614 I HN 0.016 nan 8.210 nan 0.000 0.447 615 L N 2.983 124.308 121.223 0.170 0.000 2.385 615 L HA 0.499 4.838 4.340 -0.003 0.000 0.273 615 L C -1.474 175.522 176.870 0.210 0.000 0.990 615 L CA -0.499 54.421 54.840 0.133 0.000 0.821 615 L CB 2.341 44.474 42.059 0.124 0.000 1.279 615 L HN 0.542 nan 8.230 nan 0.000 0.412 616 F N 3.618 123.525 119.950 -0.071 0.000 2.403 616 F HA 0.538 5.063 4.527 -0.003 0.000 0.355 616 F C -1.131 174.605 175.800 -0.106 0.000 1.119 616 F CA -0.733 57.274 58.000 0.012 0.000 1.007 616 F CB 0.774 39.772 39.000 -0.004 0.000 1.194 616 F HN 0.103 nan 8.300 nan 0.000 0.443 617 F N 5.439 125.433 119.950 0.074 0.000 2.388 617 F HA 0.293 4.818 4.527 -0.003 0.000 0.358 617 F C -0.273 175.614 175.800 0.144 0.000 1.122 617 F CA -0.622 57.462 58.000 0.139 0.000 1.056 617 F CB 0.809 39.882 39.000 0.121 0.000 1.155 617 F HN 0.440 nan 8.300 nan 0.000 0.461 618 H N 1.658 120.909 119.070 0.301 0.000 2.511 618 H HA 0.440 4.995 4.556 -0.003 0.000 0.328 618 H C -0.817 174.740 175.328 0.382 0.000 1.044 618 H CA -0.660 55.543 56.048 0.260 0.000 1.212 618 H CB 1.174 31.106 29.762 0.284 0.000 1.428 618 H HN 0.498 nan 8.280 nan 0.000 0.483 619 T N 7.492 122.059 114.554 0.021 0.000 2.743 619 T HA 0.413 4.761 4.350 -0.003 0.000 0.293 619 T C -0.808 173.834 174.700 -0.097 0.000 0.945 619 T CA -0.258 61.911 62.100 0.115 0.000 1.030 619 T CB -0.380 68.646 68.868 0.263 0.000 0.912 619 T HN 0.493 nan 8.240 nan 0.000 0.483 620 F N 0.393 120.279 119.950 -0.106 0.000 2.685 620 F HA 0.947 5.472 4.527 -0.003 0.000 0.315 620 F C 0.113 176.049 175.800 0.227 0.000 1.126 620 F CA -0.748 57.230 58.000 -0.037 0.000 0.950 620 F CB 1.090 40.011 39.000 -0.131 0.000 1.360 620 F HN 0.871 nan 8.300 nan 0.000 0.469 621 G N 0.482 109.396 108.800 0.190 0.000 2.373 621 G HA2 0.423 4.381 3.960 -0.003 0.000 0.250 621 G HA3 0.423 4.381 3.960 -0.003 0.000 0.250 621 G C -1.982 173.036 174.900 0.198 0.000 1.304 621 G CA -0.314 44.908 45.100 0.204 0.000 0.948 621 G HN 1.590 nan 8.290 nan 0.000 0.474 622 I N -2.894 117.786 120.570 0.183 0.000 3.074 622 I HA 0.861 5.029 4.170 -0.003 0.000 0.310 622 I C -0.717 175.434 176.117 0.057 0.000 1.153 622 I CA -1.021 60.349 61.300 0.117 0.000 0.993 622 I CB 2.352 40.405 38.000 0.089 0.000 1.237 622 I HN 0.473 nan 8.210 nan 0.000 0.443 623 T N 1.465 116.012 114.554 -0.012 0.000 2.770 623 T HA 0.334 4.682 4.350 -0.003 0.000 0.283 623 T C -0.997 173.549 174.700 -0.256 0.000 0.988 623 T CA -0.147 61.847 62.100 -0.176 0.000 0.957 623 T CB 0.115 68.897 68.868 -0.143 0.000 0.930 623 T HN 0.642 nan 8.240 nan 0.000 0.443 624 H N 2.882 121.598 119.070 -0.590 0.000 2.541 624 H HA 0.445 4.999 4.556 -0.003 0.000 0.316 624 H C -1.198 173.716 175.328 -0.691 0.000 1.043 624 H CA -1.111 54.617 56.048 -0.533 0.000 1.232 624 H CB 0.359 29.747 29.762 -0.623 0.000 1.406 624 H HN 0.435 nan 8.280 nan 0.000 0.469 625 F N 6.691 126.743 119.950 0.169 0.000 2.325 625 F HA 0.288 4.814 4.527 -0.001 0.000 0.369 625 F C -2.004 173.880 175.800 0.139 0.000 1.095 625 F CA -2.427 55.620 58.000 0.079 0.000 1.082 625 F CB 0.912 39.952 39.000 0.066 0.000 1.289 625 F HN 0.526 nan 8.300 nan 0.000 0.462 626 P HA 0.258 nan 4.420 nan 0.000 0.267 626 P C -0.684 176.724 177.300 0.179 0.000 1.200 626 P CA 0.014 63.186 63.100 0.121 0.000 0.772 626 P CB 0.850 32.555 31.700 0.007 0.000 0.855 627 A N 3.866 126.800 122.820 0.189 0.000 2.479 627 A HA 0.627 4.945 4.320 -0.003 0.000 0.296 627 A C -2.071 175.596 177.584 0.139 0.000 1.121 627 A CA -1.490 50.630 52.037 0.139 0.000 0.743 627 A CB 0.646 19.723 19.000 0.128 0.000 1.323 627 A HN 0.252 nan 8.150 nan 0.000 0.415 628 P HA -0.131 nan 4.420 nan 0.000 0.218 628 P C 0.733 178.138 177.300 0.175 0.000 1.148 628 P CA 1.442 64.633 63.100 0.151 0.000 0.822 628 P CB 0.232 32.005 31.700 0.122 0.000 0.784 629 E N -0.402 119.876 120.200 0.131 0.000 2.219 629 E HA -0.192 4.156 4.350 -0.003 0.000 0.198 629 E C 1.326 177.996 176.600 0.117 0.000 0.998 629 E CA 1.232 57.696 56.400 0.107 0.000 0.818 629 E CB -0.818 28.929 29.700 0.078 0.000 0.741 629 E HN 0.348 nan 8.360 nan 0.000 0.477 630 D N -1.107 119.394 120.400 0.168 0.000 2.363 630 D HA -0.010 4.629 4.640 -0.003 0.000 0.220 630 D C -0.249 176.182 176.300 0.218 0.000 0.994 630 D CA 0.421 54.531 54.000 0.184 0.000 0.890 630 D CB 0.083 41.047 40.800 0.273 0.000 0.906 630 D HN 0.064 nan 8.370 nan 0.000 0.530 631 F N 0.878 120.854 119.950 0.043 0.000 2.561 631 F HA 0.315 4.840 4.527 -0.002 0.000 0.321 631 F C -1.700 174.118 175.800 0.029 0.000 1.065 631 F CA -2.370 55.649 58.000 0.032 0.000 0.934 631 F CB 2.068 41.100 39.000 0.053 0.000 1.215 631 F HN -0.311 nan 8.300 nan 0.000 0.471 632 P HA 0.039 nan 4.420 nan 0.000 0.237 632 P C -0.701 176.268 177.300 -0.552 0.000 1.178 632 P CA 0.758 63.116 63.100 -1.236 0.000 0.766 632 P CB 0.634 31.897 31.700 -0.728 0.000 0.876 633 L N -0.394 120.609 121.223 -0.367 0.000 2.464 633 L HA 0.504 4.842 4.340 -0.003 0.000 0.266 633 L C -0.865 175.858 176.870 -0.244 0.000 0.965 633 L CA -1.303 53.271 54.840 -0.443 0.000 0.833 633 L CB 2.176 43.707 42.059 -0.879 0.000 1.296 633 L HN -0.248 nan 8.230 nan 0.000 0.405 634 M N 6.593 126.087 119.600 -0.178 0.000 2.144 634 M HA 0.522 5.000 4.480 -0.003 0.000 0.356 634 M C -2.256 173.978 176.300 -0.111 0.000 1.217 634 M CA -1.469 53.784 55.300 -0.079 0.000 1.087 634 M CB 1.344 33.939 32.600 -0.008 0.000 1.609 634 M HN 0.450 nan 8.290 nan 0.000 0.467 635 P HA 0.073 nan 4.420 nan 0.000 0.267 635 P C -1.215 176.031 177.300 -0.090 0.000 1.200 635 P CA -0.111 62.939 63.100 -0.082 0.000 0.772 635 P CB 0.478 32.146 31.700 -0.053 0.000 0.855 636 A N 2.433 125.197 122.820 -0.094 0.000 2.567 636 A HA 0.010 4.328 4.320 -0.003 0.000 0.240 636 A C 0.382 177.907 177.584 -0.097 0.000 1.053 636 A CA 0.365 52.343 52.037 -0.098 0.000 0.755 636 A CB -0.563 18.390 19.000 -0.077 0.000 0.978 636 A HN 0.589 nan 8.150 nan 0.000 0.507 637 E N 3.791 123.918 120.200 -0.121 0.000 2.145 637 E HA 0.448 4.796 4.350 -0.003 0.000 0.270 637 E C -2.588 173.954 176.600 -0.097 0.000 0.906 637 E CA -2.244 54.083 56.400 -0.121 0.000 0.761 637 E CB 1.566 31.157 29.700 -0.181 0.000 1.116 637 E HN 0.514 nan 8.360 nan 0.000 0.408 638 P HA 0.337 nan 4.420 nan 0.000 0.286 638 P C -0.719 176.560 177.300 -0.035 0.000 1.261 638 P CA -0.270 62.796 63.100 -0.056 0.000 0.821 638 P CB 1.298 32.964 31.700 -0.057 0.000 1.013 639 I N 0.594 121.148 120.570 -0.027 0.000 2.686 639 I HA 0.525 4.693 4.170 -0.003 0.000 0.295 639 I C -0.044 176.054 176.117 -0.032 0.000 1.114 639 I CA -0.522 60.787 61.300 0.014 0.000 1.038 639 I CB 2.632 40.676 38.000 0.074 0.000 1.238 639 I HN 0.259 nan 8.210 nan 0.000 0.420 640 T N 5.617 120.143 114.554 -0.048 0.000 2.894 640 T HA 0.815 5.163 4.350 -0.003 0.000 0.309 640 T C -1.749 172.838 174.700 -0.190 0.000 1.208 640 T CA -0.477 61.541 62.100 -0.137 0.000 1.016 640 T CB 1.562 70.364 68.868 -0.110 0.000 1.192 640 T HN 0.532 nan 8.240 nan 0.000 0.491 641 L N 1.280 122.334 121.223 -0.282 0.000 2.469 641 L HA 0.931 5.270 4.340 -0.003 0.000 0.256 641 L C -1.115 175.635 176.870 -0.200 0.000 1.006 641 L CA -1.014 53.674 54.840 -0.253 0.000 0.832 641 L CB 2.186 43.998 42.059 -0.411 0.000 1.421 641 L HN 0.794 nan 8.230 nan 0.000 0.410 642 M N 2.249 121.776 119.600 -0.123 0.000 2.457 642 M HA 0.689 5.167 4.480 -0.003 0.000 0.300 642 M C -2.099 174.186 176.300 -0.025 0.000 1.141 642 M CA -0.562 54.694 55.300 -0.075 0.000 0.901 642 M CB 2.273 34.848 32.600 -0.042 0.000 1.687 642 M HN 0.738 nan 8.290 nan 0.000 0.449 643 L N 4.736 125.981 121.223 0.037 0.000 2.294 643 L HA 0.571 4.909 4.340 -0.003 0.000 0.283 643 L C -0.680 176.322 176.870 0.220 0.000 1.015 643 L CA -0.386 54.558 54.840 0.173 0.000 0.831 643 L CB 1.392 43.627 42.059 0.293 0.000 1.217 643 L HN 0.670 nan 8.230 nan 0.000 0.420 644 R N 4.438 124.966 120.500 0.046 0.000 2.445 644 R HA 0.444 4.782 4.340 -0.003 0.000 0.308 644 R C -2.532 173.429 176.300 -0.566 0.000 0.961 644 R CA -1.912 54.097 56.100 -0.153 0.000 0.862 644 R CB 1.563 31.812 30.300 -0.085 0.000 1.144 644 R HN 0.261 nan 8.270 nan 0.000 0.447 645 P HA 0.077 nan 4.420 nan 0.000 0.271 645 P C -0.927 176.159 177.300 -0.357 0.000 1.226 645 P CA -0.098 62.383 63.100 -1.032 0.000 0.765 645 P CB 0.816 32.121 31.700 -0.658 0.000 0.835 646 R N 3.205 123.572 120.500 -0.222 0.000 2.514 646 R HA 0.265 4.604 4.340 -0.003 0.000 0.296 646 R C 0.617 176.912 176.300 -0.008 0.000 1.012 646 R CA -0.694 55.321 56.100 -0.142 0.000 0.897 646 R CB 0.329 30.589 30.300 -0.066 0.000 1.184 646 R HN 0.659 nan 8.270 nan 0.000 0.440 647 H N 0.915 119.999 119.070 0.023 0.000 3.211 647 H HA -0.231 4.323 4.556 -0.003 0.000 0.240 647 H C 0.752 176.076 175.328 -0.008 0.000 1.148 647 H CA 1.284 57.340 56.048 0.014 0.000 1.160 647 H CB -1.209 28.552 29.762 -0.001 0.000 1.232 647 H HN 0.554 nan 8.280 nan 0.000 0.321 648 F N 0.631 120.499 119.950 -0.137 0.000 2.118 648 F HA 0.122 4.647 4.527 -0.003 0.000 0.293 648 F C 1.092 176.620 175.800 -0.453 0.000 1.102 648 F CA 0.757 58.557 58.000 -0.333 0.000 1.247 648 F CB 0.158 38.831 39.000 -0.546 0.000 1.017 648 F HN -0.065 nan 8.300 nan 0.000 0.475 649 F N -0.055 119.952 119.950 0.095 0.000 2.380 649 F HA 0.233 4.758 4.527 -0.003 0.000 0.321 649 F C 1.733 177.496 175.800 -0.062 0.000 1.103 649 F CA -0.107 57.886 58.000 -0.011 0.000 1.067 649 F CB 0.624 39.627 39.000 0.005 0.000 1.265 649 F HN -0.175 nan 8.300 nan 0.000 0.517 650 T N -2.993 111.624 114.554 0.104 0.000 3.065 650 T HA 0.187 4.535 4.350 -0.003 0.000 0.252 650 T C -0.035 174.740 174.700 0.126 0.000 1.099 650 T CA 0.344 62.417 62.100 -0.046 0.000 1.063 650 T CB -0.546 68.091 68.868 -0.385 0.000 0.948 650 T HN 0.734 nan 8.240 nan 0.000 0.506 651 E N 0.164 120.440 120.200 0.127 0.000 2.429 651 E HA 0.291 4.639 4.350 -0.003 0.000 0.280 651 E C -1.339 175.257 176.600 -0.006 0.000 1.068 651 E CA -1.220 55.225 56.400 0.075 0.000 0.837 651 E CB 0.114 29.854 29.700 0.067 0.000 1.357 651 E HN -0.118 nan 8.360 nan 0.000 0.455 652 N N 2.153 120.810 118.700 -0.071 0.000 2.256 652 N HA -0.039 4.699 4.740 -0.003 0.000 0.277 652 N C -1.375 174.026 175.510 -0.182 0.000 1.362 652 N CA -0.959 52.004 53.050 -0.144 0.000 0.861 652 N CB 0.630 38.987 38.487 -0.215 0.000 1.136 652 N HN 0.389 nan 8.380 nan 0.000 0.492 653 P HA 0.062 nan 4.420 nan 0.000 0.241 653 P C 0.851 178.064 177.300 -0.144 0.000 1.191 653 P CA 0.538 63.392 63.100 -0.411 0.000 0.771 653 P CB 0.086 31.112 31.700 -1.125 0.000 0.929 654 G N -0.128 108.656 108.800 -0.026 0.000 3.042 654 G HA2 0.009 3.967 3.960 -0.003 0.000 0.212 654 G HA3 0.009 3.967 3.960 -0.003 0.000 0.212 654 G C 1.318 176.371 174.900 0.256 0.000 1.166 654 G CA -0.129 45.065 45.100 0.156 0.000 0.767 654 G HN 0.196 nan 8.290 nan 0.000 0.546 655 L N 1.190 122.471 121.223 0.096 0.000 2.362 655 L HA 0.005 4.343 4.340 -0.003 0.000 0.219 655 L C 1.955 178.891 176.870 0.111 0.000 1.134 655 L CA 1.012 55.890 54.840 0.064 0.000 0.807 655 L CB -0.067 41.935 42.059 -0.094 0.000 0.927 655 L HN 0.262 nan 8.230 nan 0.000 0.447 656 D N -0.225 120.240 120.400 0.109 0.000 2.328 656 D HA 0.027 4.665 4.640 -0.003 0.000 0.221 656 D C 0.668 177.011 176.300 0.072 0.000 1.072 656 D CA -0.082 53.974 54.000 0.093 0.000 0.850 656 D CB -0.167 40.712 40.800 0.132 0.000 0.922 656 D HN 0.201 nan 8.370 nan 0.000 0.516 657 I N 1.697 122.322 120.570 0.091 0.000 2.496 657 I HA -0.032 4.136 4.170 -0.003 0.000 0.285 657 I C 0.787 176.939 176.117 0.058 0.000 1.080 657 I CA -0.415 60.916 61.300 0.051 0.000 1.404 657 I CB 0.652 38.671 38.000 0.032 0.000 1.403 657 I HN -0.201 nan 8.210 nan 0.000 0.539 658 Q N 7.285 127.102 119.800 0.027 0.000 2.247 658 Q HA 0.120 4.458 4.340 -0.003 0.000 0.288 658 Q C -2.086 173.930 176.000 0.026 0.000 1.079 658 Q CA -1.286 54.532 55.803 0.026 0.000 0.932 658 Q CB -0.055 28.691 28.738 0.013 0.000 1.133 658 Q HN 0.307 nan 8.270 nan 0.000 0.377 659 P HA 0.021 nan 4.420 nan 0.000 0.268 659 P C 0.344 177.664 177.300 0.033 0.000 1.208 659 P CA 0.091 63.216 63.100 0.041 0.000 0.777 659 P CB 0.688 32.421 31.700 0.055 0.000 0.875 660 S N 0.046 115.770 115.700 0.041 0.000 2.383 660 S HA -0.068 4.400 4.470 -0.003 0.000 0.227 660 S C 0.259 174.953 174.600 0.157 0.000 1.026 660 S CA 1.233 59.476 58.200 0.071 0.000 0.981 660 S CB -0.447 62.785 63.200 0.053 0.000 0.818 660 S HN 0.628 nan 8.310 nan 0.000 0.472 661 Y N -0.238 120.069 120.300 0.013 0.000 2.482 661 Y HA 0.569 5.117 4.550 -0.003 0.000 0.334 661 Y C -1.492 174.429 175.900 0.035 0.000 1.091 661 Y CA -1.145 56.967 58.100 0.020 0.000 1.027 661 Y CB 1.048 39.518 38.460 0.016 0.000 1.306 661 Y HN -0.026 nan 8.280 nan 0.000 0.446 662 A N 6.936 129.350 122.820 -0.676 0.000 2.459 662 A HA 0.740 5.058 4.320 -0.003 0.000 0.296 662 A C -1.844 175.371 177.584 -0.616 0.000 1.039 662 A CA -0.623 51.138 52.037 -0.460 0.000 0.698 662 A CB 1.420 20.316 19.000 -0.174 0.000 1.261 662 A HN 0.829 nan 8.150 nan 0.000 0.405 663 M N 3.057 122.426 119.600 -0.385 0.000 2.267 663 M HA 0.498 4.977 4.480 -0.003 0.000 0.289 663 M C 0.086 176.345 176.300 -0.067 0.000 1.043 663 M CA -0.234 54.945 55.300 -0.201 0.000 0.928 663 M CB 1.994 34.535 32.600 -0.099 0.000 1.613 663 M HN 0.937 nan 8.290 nan 0.000 0.450 664 T N 0.510 115.033 114.554 -0.052 0.000 2.816 664 T HA 0.297 4.645 4.350 -0.003 0.000 0.282 664 T C 0.880 175.572 174.700 -0.014 0.000 0.993 664 T CA -0.296 61.789 62.100 -0.024 0.000 0.994 664 T CB 0.934 69.787 68.868 -0.025 0.000 1.025 664 T HN 0.728 nan 8.240 nan 0.000 0.529 665 T N 1.424 115.970 114.554 -0.014 0.000 2.720 665 T HA -0.149 4.199 4.350 -0.003 0.000 0.268 665 T C 2.387 177.074 174.700 -0.021 0.000 1.037 665 T CA 1.956 64.043 62.100 -0.021 0.000 1.144 665 T CB -0.755 68.095 68.868 -0.030 0.000 0.864 665 T HN 0.878 nan 8.240 nan 0.000 0.444 666 S N 1.640 117.328 115.700 -0.020 0.000 2.383 666 S HA -0.107 4.361 4.470 -0.003 0.000 0.227 666 S C 1.884 176.475 174.600 -0.015 0.000 1.026 666 S CA 1.071 59.260 58.200 -0.018 0.000 0.981 666 S CB -0.423 62.766 63.200 -0.018 0.000 0.818 666 S HN 0.575 nan 8.310 nan 0.000 0.472 667 E N 1.789 121.979 120.200 -0.017 0.000 2.072 667 E HA 0.010 4.358 4.350 -0.003 0.000 0.191 667 E C 2.452 179.050 176.600 -0.003 0.000 0.985 667 E CA 0.958 57.350 56.400 -0.014 0.000 0.801 667 E CB -0.441 29.243 29.700 -0.027 0.000 0.750 667 E HN 0.695 nan 8.360 nan 0.000 0.452 668 A N 1.631 124.451 122.820 -0.000 0.000 1.908 668 A HA -0.247 4.071 4.320 -0.003 0.000 0.218 668 A C 1.943 179.528 177.584 0.001 0.000 1.181 668 A CA 1.528 53.571 52.037 0.010 0.000 0.627 668 A CB -0.298 18.707 19.000 0.009 0.000 0.818 668 A HN 0.048 nan 8.150 nan 0.000 0.445 669 K N -0.772 119.623 120.400 -0.008 0.000 2.026 669 K HA -0.099 4.220 4.320 -0.003 0.000 0.208 669 K C 2.263 178.859 176.600 -0.006 0.000 1.048 669 K CA 1.378 57.658 56.287 -0.011 0.000 0.929 669 K CB -0.204 32.286 32.500 -0.016 0.000 0.713 669 K HN 0.351 nan 8.250 nan 0.000 0.439 670 R N 0.367 120.864 120.500 -0.005 0.000 2.193 670 R HA -0.038 4.301 4.340 -0.003 0.000 0.229 670 R C 1.190 177.492 176.300 0.002 0.000 1.110 670 R CA 0.799 56.897 56.100 -0.003 0.000 0.988 670 R CB -0.100 30.197 30.300 -0.004 0.000 0.871 670 R HN 0.084 nan 8.270 nan 0.000 0.458 671 A N 1.408 124.232 122.820 0.007 0.000 2.916 671 A HA 0.297 4.615 4.320 -0.003 0.000 0.254 671 A C 0.186 177.777 177.584 0.011 0.000 1.544 671 A CA -0.143 51.902 52.037 0.014 0.000 1.224 671 A CB -0.473 18.543 19.000 0.025 0.000 1.012 671 A HN 0.055 nan 8.150 nan 0.000 0.636 672 V N 0.000 119.917 119.914 0.005 0.000 2.409 672 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 672 V CA 0.000 62.302 62.300 0.003 0.000 1.235 672 V CB 0.000 31.826 31.823 0.005 0.000 1.184 672 V HN 0.000 nan 8.190 nan 0.000 0.556