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 1jqk_1_C DATA FIRST_RESID 28 DATA SEQUENCE ETAWHRYEKQ QPQCGFGSAG LCCRICLKGP CRIDPFGEGP KYGVCGADRD DATA SEQUENCE TIVARHLVRM IAAGTAAHSE HGRHIALAMQ HISQGELHDY SIRDEAKLYA DATA SEQUENCE IAKTLGVATE GRGLLAIVGD LAAITLGDFQ NQDYDKPCAW LAASLTPRRV DATA SEQUENCE KRLGDLGLLP HNIDASVAQT MSRTHVGCDA DPTNLILGGL RVAMADLDGS DATA SEQUENCE MLATELSDAL FGTPQPVVSA ANLGVMKRGA VNIAVNGHNP MLSDIICDVA DATA SEQUENCE ADLRDEAIAA GAAEGINIIG ICCTGHEVMM RHGVPLATNY LSQELPILTG DATA SEQUENCE ALEAMVVDVQ CIMPSLPRIA ECFHTQIITT DKHNKISGAT HVPFDEHKAV DATA SEQUENCE ETAKTIIRMA IAAFGRRDPN RVAIPAFKQK SIVGFSAEAV VAALAKVNAD DATA SEQUENCE DPLKPLVDNV VNGNIQGIVL FVGCNTTKVQ QDSAYVDLAK SLAKRNVLVL DATA SEQUENCE ATGCAAGAFA KAGLMTSEAT TQYAGEGLKG VLSAIGTAAG LGGPLPLVMH DATA SEQUENCE MGSCVDNSRA VALATALANK LGVDLSDLPL VASAPECMSE KALAIGSWAV DATA SEQUENCE TIGLPTHVGS VPPVIGSQIV TKLVTETAKD LVGGYFIVDT DPKSAGDKLY DATA SEQUENCE AAIQERRAGL 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 28 E HA 0.000 nan 4.350 nan 0.000 0.291 28 E C 0.000 176.569 176.600 -0.052 0.000 1.382 28 E CA 0.000 56.491 56.400 0.152 0.000 0.976 28 E CB 0.000 29.781 29.700 0.136 0.000 0.812 29 T N 1.456 115.789 114.554 -0.369 0.000 2.852 29 T HA 0.599 4.949 4.350 -0.000 0.000 0.281 29 T C 1.301 175.921 174.700 -0.133 0.000 0.993 29 T CA 0.460 62.395 62.100 -0.275 0.000 0.933 29 T CB 1.098 69.775 68.868 -0.320 0.000 1.187 29 T HN 0.551 nan 8.240 nan 0.000 0.559 30 A N 0.379 123.090 122.820 -0.182 0.000 1.930 30 A HA -0.018 4.301 4.320 -0.000 0.000 0.217 30 A C 2.280 179.774 177.584 -0.150 0.000 1.175 30 A CA 1.098 52.962 52.037 -0.287 0.000 0.627 30 A CB -0.746 17.872 19.000 -0.637 0.000 0.815 30 A HN 0.903 nan 8.150 nan 0.000 0.443 31 W N -0.226 121.074 121.300 -0.000 0.000 2.388 31 W HA -0.128 4.532 4.660 -0.000 0.000 0.294 31 W C 2.273 178.969 176.519 0.295 0.000 1.212 31 W CA 1.290 58.720 57.345 0.142 0.000 1.271 31 W CB -0.975 28.553 29.460 0.114 0.000 1.126 31 W HN 0.660 nan 8.180 nan 0.000 0.535 32 H N -0.208 119.044 119.070 0.304 0.000 2.256 32 H HA -0.086 4.470 4.556 -0.000 0.000 0.299 32 H C 2.449 177.853 175.328 0.127 0.000 1.071 32 H CA 1.177 57.334 56.048 0.180 0.000 1.280 32 H CB -0.271 29.569 29.762 0.131 0.000 1.370 32 H HN -0.056 nan 8.280 nan 0.000 0.490 33 R N 0.212 120.853 120.500 0.236 0.000 2.133 33 R HA -0.243 4.097 4.340 -0.000 0.000 0.247 33 R C 2.343 178.720 176.300 0.127 0.000 1.151 33 R CA 1.877 58.055 56.100 0.131 0.000 0.971 33 R CB -0.543 29.802 30.300 0.074 0.000 0.866 33 R HN 0.417 nan 8.270 nan 0.000 0.447 34 Y N 2.106 122.435 120.300 0.048 0.000 2.128 34 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 34 Y C 2.139 178.074 175.900 0.057 0.000 1.154 34 Y CA 1.546 59.666 58.100 0.034 0.000 1.149 34 Y CB -0.177 38.297 38.460 0.023 0.000 0.976 34 Y HN -0.042 nan 8.280 nan 0.000 0.505 35 E N 0.919 121.054 120.200 -0.109 0.000 2.070 35 E HA -0.233 4.117 4.350 -0.000 0.000 0.197 35 E C 1.998 178.491 176.600 -0.178 0.000 1.004 35 E CA 1.904 58.182 56.400 -0.204 0.000 0.805 35 E CB -0.391 29.313 29.700 0.007 0.000 0.744 35 E HN 0.595 nan 8.360 nan 0.000 0.451 36 K N 0.548 120.906 120.400 -0.070 0.000 2.360 36 K HA -0.114 4.206 4.320 -0.000 0.000 0.201 36 K C 1.980 178.535 176.600 -0.075 0.000 1.046 36 K CA 0.672 56.929 56.287 -0.051 0.000 0.945 36 K CB 0.043 32.541 32.500 -0.003 0.000 0.750 36 K HN 0.055 nan 8.250 nan 0.000 0.464 37 Q N 0.487 120.214 119.800 -0.120 0.000 2.389 37 Q HA 0.021 4.361 4.340 -0.000 0.000 0.204 37 Q C 0.244 176.160 176.000 -0.140 0.000 0.944 37 Q CA 0.666 56.407 55.803 -0.103 0.000 0.908 37 Q CB 0.333 29.028 28.738 -0.072 0.000 1.002 37 Q HN 0.303 nan 8.270 nan 0.000 0.493 38 Q N 2.135 121.800 119.800 -0.224 0.000 2.313 38 Q HA 0.187 4.527 4.340 -0.000 0.000 0.266 38 Q C -1.887 174.053 176.000 -0.101 0.000 0.989 38 Q CA -1.090 54.597 55.803 -0.193 0.000 0.890 38 Q CB 0.378 28.964 28.738 -0.254 0.000 1.200 38 Q HN 0.157 nan 8.270 nan 0.000 0.396 39 P HA 0.185 nan 4.420 nan 0.000 0.292 39 P C -0.787 176.493 177.300 -0.033 0.000 1.287 39 P CA -0.438 62.631 63.100 -0.051 0.000 0.800 39 P CB 1.118 32.802 31.700 -0.028 0.000 0.945 40 Q N 1.011 120.795 119.800 -0.026 0.000 2.373 40 Q HA 0.161 4.501 4.340 -0.000 0.000 0.255 40 Q C 0.289 176.298 176.000 0.014 0.000 0.980 40 Q CA -0.434 55.369 55.803 0.000 0.000 0.882 40 Q CB 0.676 29.429 28.738 0.024 0.000 1.249 40 Q HN 0.559 nan 8.270 nan 0.000 0.438 41 C N 2.575 121.892 119.300 0.029 0.000 2.378 41 C HA -0.026 4.434 4.460 -0.000 0.000 0.395 41 C C 1.826 176.838 174.990 0.037 0.000 1.476 41 C CA 0.608 59.659 59.018 0.056 0.000 1.541 41 C CB -0.775 27.013 27.740 0.080 0.000 2.524 41 C HN 1.004 nan 8.230 nan 0.000 0.595 42 G N 3.577 112.381 108.800 0.007 0.000 2.408 42 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.215 42 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.215 42 G C 1.139 175.962 174.900 -0.129 0.000 1.156 42 G CA 0.498 45.542 45.100 -0.094 0.000 0.793 42 G HN 0.774 nan 8.290 nan 0.000 0.535 43 F N 1.697 121.619 119.950 -0.046 0.000 2.102 43 F HA 0.012 4.539 4.527 -0.000 0.000 0.298 43 F C 2.891 178.642 175.800 -0.083 0.000 1.105 43 F CA 1.143 59.100 58.000 -0.071 0.000 1.239 43 F CB -0.454 38.502 39.000 -0.073 0.000 0.991 43 F HN 0.191 nan 8.300 nan 0.000 0.474 44 G N -0.687 108.184 108.800 0.117 0.000 2.511 44 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.216 44 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.216 44 G C 1.845 176.732 174.900 -0.023 0.000 1.218 44 G CA 1.141 46.246 45.100 0.008 0.000 0.788 44 G HN 0.324 nan 8.290 nan 0.000 0.560 45 S N 1.065 116.760 115.700 -0.008 0.000 2.400 45 S HA -0.173 4.297 4.470 -0.000 0.000 0.234 45 S C 2.578 177.159 174.600 -0.031 0.000 1.049 45 S CA 1.502 59.692 58.200 -0.016 0.000 1.039 45 S CB -0.372 62.821 63.200 -0.013 0.000 0.856 45 S HN 0.645 nan 8.310 nan 0.000 0.465 46 A N -0.032 122.762 122.820 -0.044 0.000 2.123 46 A HA 0.456 4.776 4.320 -0.000 0.000 0.214 46 A C 1.758 179.316 177.584 -0.043 0.000 1.152 46 A CA 1.022 53.027 52.037 -0.053 0.000 0.728 46 A CB -0.724 18.220 19.000 -0.093 0.000 0.814 46 A HN 1.043 nan 8.150 nan 0.000 0.464 47 G N -1.195 107.574 108.800 -0.052 0.000 2.136 47 G HA2 -0.211 3.748 3.960 -0.000 0.000 0.242 47 G HA3 -0.211 3.748 3.960 -0.000 0.000 0.242 47 G C 0.357 175.227 174.900 -0.049 0.000 0.989 47 G CA 0.351 45.404 45.100 -0.079 0.000 0.682 47 G HN 0.512 nan 8.290 nan 0.000 0.522 48 L N 0.241 121.466 121.223 0.004 0.000 2.928 48 L HA 0.455 4.795 4.340 -0.000 0.000 0.236 48 L C 0.977 177.889 176.870 0.069 0.000 1.290 48 L CA -0.217 54.659 54.840 0.060 0.000 1.099 48 L CB 0.211 42.345 42.059 0.125 0.000 1.437 48 L HN 0.416 nan 8.230 nan 0.000 0.493 49 C N -0.587 118.701 119.300 -0.021 0.000 2.888 49 C HA 0.718 5.177 4.460 -0.000 0.000 0.308 49 C C -0.769 174.165 174.990 -0.094 0.000 1.213 49 C CA -1.057 57.919 59.018 -0.071 0.000 1.461 49 C CB 1.356 29.055 27.740 -0.069 0.000 1.934 49 C HN 0.515 nan 8.230 nan 0.000 0.474 50 C N 5.961 125.214 119.300 -0.079 0.000 2.516 50 C HA 0.690 5.150 4.460 -0.000 0.000 0.338 50 C C 0.178 175.139 174.990 -0.049 0.000 1.132 50 C CA -0.433 58.553 59.018 -0.054 0.000 1.310 50 C CB 0.540 28.261 27.740 -0.032 0.000 1.898 50 C HN 1.053 nan 8.230 nan 0.000 0.452 51 R N 4.528 125.008 120.500 -0.032 0.000 2.700 51 R HA 0.281 4.621 4.340 -0.000 0.000 0.377 51 R C 1.032 177.317 176.300 -0.026 0.000 1.130 51 R CA -0.173 55.908 56.100 -0.032 0.000 1.055 51 R CB 0.229 30.513 30.300 -0.026 0.000 1.387 51 R HN 0.767 nan 8.270 nan 0.000 0.580 52 I N 0.622 121.174 120.570 -0.031 0.000 2.756 52 I HA -0.180 3.990 4.170 -0.000 0.000 0.262 52 I C 1.122 177.183 176.117 -0.094 0.000 1.225 52 I CA 0.729 61.999 61.300 -0.050 0.000 1.472 52 I CB -0.027 37.943 38.000 -0.051 0.000 1.094 52 I HN 0.366 nan 8.210 nan 0.000 0.454 53 C N -2.429 116.822 119.300 -0.083 0.000 3.323 53 C HA 0.370 4.830 4.460 -0.000 0.000 0.324 53 C C 1.181 176.136 174.990 -0.057 0.000 1.428 53 C CA -1.091 57.873 59.018 -0.090 0.000 1.368 53 C CB 0.974 28.641 27.740 -0.121 0.000 1.731 53 C HN 0.173 nan 8.230 nan 0.000 0.455 54 L N 0.672 121.867 121.223 -0.046 0.000 2.465 54 L HA 0.040 4.380 4.340 -0.000 0.000 0.224 54 L C 2.330 179.179 176.870 -0.034 0.000 1.145 54 L CA 0.918 55.738 54.840 -0.034 0.000 0.834 54 L CB -0.533 41.512 42.059 -0.024 0.000 0.944 54 L HN 0.797 nan 8.230 nan 0.000 0.451 55 K N 0.439 120.816 120.400 -0.037 0.000 2.504 55 K HA 0.009 4.329 4.320 -0.000 0.000 0.195 55 K C 1.211 177.789 176.600 -0.038 0.000 1.036 55 K CA 0.310 56.577 56.287 -0.033 0.000 0.984 55 K CB 0.061 32.542 32.500 -0.032 0.000 0.788 55 K HN 0.345 nan 8.250 nan 0.000 0.488 56 G N 1.970 110.743 108.800 -0.043 0.000 2.606 56 G HA2 0.241 4.201 3.960 -0.000 0.000 0.262 56 G HA3 0.241 4.201 3.960 -0.000 0.000 0.262 56 G C -2.503 172.366 174.900 -0.053 0.000 1.394 56 G CA -0.896 44.174 45.100 -0.051 0.000 1.044 56 G HN -0.041 nan 8.290 nan 0.000 0.553 57 P HA 0.303 nan 4.420 nan 0.000 0.282 57 P C -0.641 176.597 177.300 -0.104 0.000 1.274 57 P CA -0.225 62.827 63.100 -0.080 0.000 0.770 57 P CB 0.714 32.363 31.700 -0.085 0.000 0.867 58 C N 5.124 124.368 119.300 -0.093 0.000 2.388 58 C HA 0.516 4.976 4.460 -0.000 0.000 0.362 58 C C 1.099 176.005 174.990 -0.141 0.000 1.266 58 C CA -0.466 58.491 59.018 -0.100 0.000 2.028 58 C CB -0.088 27.618 27.740 -0.056 0.000 2.440 58 C HN 0.624 nan 8.230 nan 0.000 0.547 59 R N 2.620 122.999 120.500 -0.202 0.000 2.854 59 R HA 0.808 5.148 4.340 -0.000 0.000 0.271 59 R C -1.551 174.671 176.300 -0.131 0.000 0.994 59 R CA -0.712 55.230 56.100 -0.264 0.000 0.945 59 R CB 1.038 30.880 30.300 -0.762 0.000 1.194 59 R HN 0.400 nan 8.270 nan 0.000 0.476 60 I N 1.620 122.193 120.570 0.005 0.000 2.378 60 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 60 I C -0.666 175.506 176.117 0.090 0.000 0.992 60 I CA -0.832 60.476 61.300 0.013 0.000 1.154 60 I CB 1.371 39.361 38.000 -0.017 0.000 1.315 60 I HN 0.738 nan 8.210 nan 0.000 0.448 61 D N 9.633 130.038 120.400 0.008 0.000 2.365 61 D HA 0.246 4.886 4.640 -0.000 0.000 0.237 61 D C -1.283 174.864 176.300 -0.256 0.000 1.190 61 D CA -1.752 52.207 54.000 -0.068 0.000 0.867 61 D CB 1.421 42.211 40.800 -0.017 0.000 1.050 61 D HN 0.241 nan 8.370 nan 0.000 0.491 62 P HA -0.207 nan 4.420 nan 0.000 0.214 62 P C 0.807 177.902 177.300 -0.343 0.000 1.163 62 P CA 1.560 64.355 63.100 -0.510 0.000 0.889 62 P CB -0.001 31.234 31.700 -0.774 0.000 0.790 63 F N -1.200 118.733 119.950 -0.027 0.000 2.534 63 F HA 0.505 5.032 4.527 -0.000 0.000 0.274 63 F C 2.317 178.105 175.800 -0.020 0.000 0.917 63 F CA 0.163 58.147 58.000 -0.026 0.000 1.145 63 F CB -1.931 37.051 39.000 -0.029 0.000 1.145 63 F HN -0.201 nan 8.300 nan 0.000 0.746 64 G N 1.852 110.942 108.800 0.484 0.000 3.241 64 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.197 64 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.197 64 G C 0.343 175.307 174.900 0.107 0.000 1.198 64 G CA 0.640 45.888 45.100 0.246 0.000 1.156 64 G HN 0.713 nan 8.290 nan 0.000 0.516 65 E N -2.231 118.009 120.200 0.067 0.000 2.038 65 E HA -0.223 4.127 4.350 -0.000 0.000 0.181 65 E C 0.899 177.502 176.600 0.004 0.000 1.383 65 E CA 0.220 56.629 56.400 0.015 0.000 0.677 65 E CB -1.752 27.958 29.700 0.016 0.000 1.051 65 E HN 0.439 nan 8.360 nan 0.000 0.317 66 G N 1.736 110.534 108.800 -0.003 0.000 3.329 66 G HA2 0.408 4.368 3.960 -0.000 0.000 0.180 66 G HA3 0.408 4.368 3.960 -0.000 0.000 0.180 66 G C -2.139 172.739 174.900 -0.038 0.000 1.640 66 G CA -0.212 44.886 45.100 -0.004 0.000 1.018 66 G HN 0.350 nan 8.290 nan 0.000 0.581 67 P HA 0.409 nan 4.420 nan 0.000 0.282 67 P C -0.868 176.359 177.300 -0.123 0.000 1.262 67 P CA -0.104 62.956 63.100 -0.066 0.000 0.773 67 P CB 2.139 33.807 31.700 -0.054 0.000 0.879 68 K N 1.872 122.137 120.400 -0.225 0.000 2.360 68 K HA 0.241 4.561 4.320 -0.000 0.000 0.196 68 K C -0.083 176.190 176.600 -0.546 0.000 1.049 68 K CA 0.459 56.482 56.287 -0.441 0.000 1.049 68 K CB 0.183 32.278 32.500 -0.675 0.000 0.881 68 K HN 0.505 nan 8.250 nan 0.000 0.542 69 Y N -1.652 118.637 120.300 -0.019 0.000 2.638 69 Y HA 0.574 5.124 4.550 -0.000 0.000 0.339 69 Y C 0.740 176.622 175.900 -0.029 0.000 1.084 69 Y CA -1.822 56.266 58.100 -0.020 0.000 1.068 69 Y CB 1.624 40.075 38.460 -0.015 0.000 1.294 69 Y HN -0.126 nan 8.280 nan 0.000 0.480 70 G N -0.133 108.767 108.800 0.166 0.000 2.477 70 G HA2 0.376 4.336 3.960 -0.000 0.000 0.304 70 G HA3 0.376 4.336 3.960 -0.000 0.000 0.304 70 G C 0.458 175.387 174.900 0.047 0.000 1.175 70 G CA -0.604 44.533 45.100 0.060 0.000 0.907 70 G HN 0.525 nan 8.290 nan 0.000 0.509 71 V N 0.202 120.124 119.914 0.012 0.000 2.982 71 V HA -0.210 3.910 4.120 -0.000 0.000 0.265 71 V C 2.645 178.734 176.094 -0.008 0.000 1.122 71 V CA 1.901 64.203 62.300 0.003 0.000 1.143 71 V CB -0.979 30.838 31.823 -0.011 0.000 0.726 71 V HN 0.919 nan 8.190 nan 0.000 0.507 72 C N -1.393 117.899 119.300 -0.013 0.000 2.735 72 C HA 0.649 5.109 4.460 -0.000 0.000 0.271 72 C C 1.965 176.927 174.990 -0.048 0.000 1.281 72 C CA 0.116 59.117 59.018 -0.027 0.000 1.719 72 C CB -0.164 27.559 27.740 -0.028 0.000 2.024 72 C HN 0.730 nan 8.230 nan 0.000 0.566 73 G N 0.484 109.253 108.800 -0.052 0.000 2.211 73 G HA2 0.166 4.126 3.960 -0.000 0.000 0.201 73 G HA3 0.166 4.126 3.960 -0.000 0.000 0.201 73 G C 0.269 175.094 174.900 -0.126 0.000 0.997 73 G CA 0.095 45.104 45.100 -0.152 0.000 0.652 73 G HN 1.415 nan 8.290 nan 0.000 0.500 74 A N 1.362 124.174 122.820 -0.014 0.000 2.511 74 A HA 0.500 4.820 4.320 -0.000 0.000 0.242 74 A C 0.596 178.266 177.584 0.142 0.000 1.069 74 A CA 0.798 52.855 52.037 0.033 0.000 0.763 74 A CB 0.133 19.149 19.000 0.027 0.000 1.001 74 A HN 0.693 nan 8.150 nan 0.000 0.498 75 D N 2.184 122.682 120.400 0.163 0.000 2.326 75 D HA 0.193 4.833 4.640 -0.000 0.000 0.251 75 D C 1.225 177.592 176.300 0.112 0.000 1.023 75 D CA -0.658 53.490 54.000 0.248 0.000 0.966 75 D CB 0.655 41.631 40.800 0.294 0.000 1.156 75 D HN 0.651 nan 8.370 nan 0.000 0.494 76 R N 0.685 121.227 120.500 0.069 0.000 2.133 76 R HA -0.226 4.114 4.340 -0.000 0.000 0.247 76 R C 0.493 176.812 176.300 0.032 0.000 1.151 76 R CA 1.527 57.643 56.100 0.028 0.000 0.971 76 R CB -0.678 29.619 30.300 -0.005 0.000 0.866 76 R HN 0.397 nan 8.270 nan 0.000 0.447 77 D N 0.671 121.097 120.400 0.043 0.000 2.084 77 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 77 D C 1.873 178.198 176.300 0.043 0.000 0.985 77 D CA 1.975 55.999 54.000 0.040 0.000 0.826 77 D CB -0.521 40.306 40.800 0.044 0.000 0.978 77 D HN 0.284 nan 8.370 nan 0.000 0.456 78 T N 2.017 116.601 114.554 0.048 0.000 2.622 78 T HA -0.133 4.217 4.350 -0.000 0.000 0.266 78 T C 2.291 177.018 174.700 0.044 0.000 1.047 78 T CA 0.786 62.913 62.100 0.044 0.000 1.159 78 T CB -0.452 68.441 68.868 0.041 0.000 0.863 78 T HN 0.127 nan 8.240 nan 0.000 0.422 79 I N 0.878 121.473 120.570 0.042 0.000 2.113 79 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 79 I C 2.502 178.644 176.117 0.042 0.000 1.064 79 I CA 1.348 62.668 61.300 0.034 0.000 1.320 79 I CB -0.616 37.397 38.000 0.021 0.000 1.028 79 I HN 0.109 nan 8.210 nan 0.000 0.406 80 V N 0.844 120.779 119.914 0.035 0.000 2.490 80 V HA -0.273 3.847 4.120 -0.000 0.000 0.250 80 V C 2.604 178.737 176.094 0.064 0.000 1.061 80 V CA 1.867 64.191 62.300 0.040 0.000 1.064 80 V CB -0.977 30.858 31.823 0.021 0.000 0.670 80 V HN 0.511 nan 8.190 nan 0.000 0.461 81 A N 0.518 123.371 122.820 0.055 0.000 1.854 81 A HA -0.187 4.133 4.320 -0.000 0.000 0.214 81 A C 2.348 179.968 177.584 0.060 0.000 1.192 81 A CA 1.674 53.743 52.037 0.053 0.000 0.611 81 A CB -0.453 18.575 19.000 0.047 0.000 0.832 81 A HN 0.498 nan 8.150 nan 0.000 0.442 82 R N -1.294 119.245 120.500 0.065 0.000 2.091 82 R HA -0.186 4.154 4.340 -0.000 0.000 0.238 82 R C 2.226 178.569 176.300 0.071 0.000 1.136 82 R CA 1.780 57.917 56.100 0.062 0.000 0.959 82 R CB -0.684 29.651 30.300 0.060 0.000 0.856 82 R HN 0.803 nan 8.270 nan 0.000 0.437 83 H N 0.224 119.295 119.070 0.002 0.000 2.389 83 H HA -0.017 4.539 4.556 -0.000 0.000 0.299 83 H C 1.820 177.142 175.328 -0.010 0.000 1.081 83 H CA 1.228 57.273 56.048 -0.005 0.000 1.345 83 H CB 0.045 29.802 29.762 -0.009 0.000 1.393 83 H HN 0.020 nan 8.280 nan 0.000 0.520 84 L N 0.047 121.284 121.223 0.024 0.000 2.056 84 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 84 L C 2.334 179.164 176.870 -0.066 0.000 1.078 84 L CA 1.182 55.999 54.840 -0.039 0.000 0.749 84 L CB -0.852 41.208 42.059 0.001 0.000 0.901 84 L HN 0.299 nan 8.230 nan 0.000 0.433 85 V N 0.039 119.938 119.914 -0.024 0.000 2.237 85 V HA -0.295 3.825 4.120 -0.000 0.000 0.245 85 V C 2.641 178.713 176.094 -0.038 0.000 1.046 85 V CA 1.750 64.046 62.300 -0.008 0.000 1.007 85 V CB -0.545 31.290 31.823 0.021 0.000 0.638 85 V HN 0.432 nan 8.190 nan 0.000 0.445 86 R N -0.891 119.571 120.500 -0.064 0.000 2.159 86 R HA -0.136 4.203 4.340 -0.000 0.000 0.237 86 R C 2.276 178.499 176.300 -0.128 0.000 1.131 86 R CA 1.501 57.553 56.100 -0.080 0.000 0.982 86 R CB -0.320 29.934 30.300 -0.077 0.000 0.868 86 R HN 0.482 nan 8.270 nan 0.000 0.453 87 M N -0.194 119.288 119.600 -0.197 0.000 2.200 87 M HA -0.121 4.359 4.480 -0.000 0.000 0.265 87 M C 2.087 178.327 176.300 -0.100 0.000 1.066 87 M CA 1.558 56.745 55.300 -0.189 0.000 1.127 87 M CB -0.076 32.382 32.600 -0.237 0.000 1.379 87 M HN 0.137 nan 8.290 nan 0.000 0.420 88 I N -0.042 120.490 120.570 -0.063 0.000 2.202 88 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 88 I C 2.685 178.801 176.117 -0.002 0.000 1.091 88 I CA 1.124 62.416 61.300 -0.014 0.000 1.368 88 I CB -0.603 37.411 38.000 0.023 0.000 1.058 88 I HN 0.227 nan 8.210 nan 0.000 0.410 89 A N 0.917 123.732 122.820 -0.008 0.000 1.940 89 A HA -0.217 4.103 4.320 -0.000 0.000 0.219 89 A C 2.534 180.110 177.584 -0.013 0.000 1.176 89 A CA 2.058 54.096 52.037 0.001 0.000 0.631 89 A CB -0.815 18.186 19.000 0.002 0.000 0.814 89 A HN 0.453 nan 8.150 nan 0.000 0.446 90 A N -0.654 122.143 122.820 -0.038 0.000 1.898 90 A HA 0.160 4.480 4.320 -0.000 0.000 0.216 90 A C 2.398 179.944 177.584 -0.064 0.000 1.181 90 A CA 1.828 53.834 52.037 -0.051 0.000 0.620 90 A CB -1.296 17.661 19.000 -0.071 0.000 0.819 90 A HN 0.733 nan 8.150 nan 0.000 0.442 91 G N -1.275 107.484 108.800 -0.069 0.000 2.408 91 G HA2 -0.102 3.858 3.960 -0.000 0.000 0.217 91 G HA3 -0.102 3.858 3.960 -0.000 0.000 0.217 91 G C 1.543 176.408 174.900 -0.057 0.000 1.150 91 G CA 1.585 46.624 45.100 -0.102 0.000 0.776 91 G HN 0.421 nan 8.290 nan 0.000 0.542 92 T N 1.646 116.211 114.554 0.019 0.000 2.737 92 T HA 0.019 4.369 4.350 -0.000 0.000 0.265 92 T C 2.834 177.559 174.700 0.042 0.000 1.038 92 T CA 1.467 63.608 62.100 0.068 0.000 1.144 92 T CB -0.384 68.515 68.868 0.051 0.000 0.866 92 T HN 0.349 nan 8.240 nan 0.000 0.434 93 A N 1.280 124.107 122.820 0.012 0.000 1.978 93 A HA 0.114 4.433 4.320 -0.000 0.000 0.220 93 A C 2.560 180.147 177.584 0.005 0.000 1.170 93 A CA 1.862 53.910 52.037 0.017 0.000 0.636 93 A CB -0.940 18.064 19.000 0.007 0.000 0.810 93 A HN 0.514 nan 8.150 nan 0.000 0.448 94 A N -0.979 121.811 122.820 -0.050 0.000 1.873 94 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 94 A C 1.969 179.533 177.584 -0.033 0.000 1.186 94 A CA 1.635 53.611 52.037 -0.102 0.000 0.616 94 A CB -0.871 17.989 19.000 -0.233 0.000 0.823 94 A HN 0.718 nan 8.150 nan 0.000 0.442 95 H N -0.187 118.895 119.070 0.020 0.000 2.326 95 H HA -0.108 4.448 4.556 -0.000 0.000 0.301 95 H C 2.808 178.166 175.328 0.050 0.000 1.081 95 H CA 1.580 57.664 56.048 0.060 0.000 1.334 95 H CB 0.099 29.902 29.762 0.067 0.000 1.385 95 H HN 0.681 nan 8.280 nan 0.000 0.504 96 S N 0.805 116.608 115.700 0.173 0.000 2.365 96 S HA -0.262 4.208 4.470 -0.000 0.000 0.225 96 S C 2.089 176.790 174.600 0.167 0.000 1.039 96 S CA 1.779 60.084 58.200 0.174 0.000 1.033 96 S CB -0.215 63.078 63.200 0.155 0.000 0.887 96 S HN 0.371 nan 8.310 nan 0.000 0.447 97 E N 0.816 121.051 120.200 0.058 0.000 2.267 97 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 97 E C 1.803 178.215 176.600 -0.314 0.000 0.998 97 E CA 1.594 57.905 56.400 -0.148 0.000 0.830 97 E CB -0.601 29.026 29.700 -0.122 0.000 0.751 97 E HN 0.913 nan 8.360 nan 0.000 0.491 98 H N -1.801 117.175 119.070 -0.157 0.000 2.343 98 H HA 0.001 4.557 4.556 -0.000 0.000 0.303 98 H C 1.922 177.221 175.328 -0.049 0.000 1.068 98 H CA 0.975 56.982 56.048 -0.069 0.000 1.359 98 H CB -0.026 29.777 29.762 0.069 0.000 1.402 98 H HN 0.268 nan 8.280 nan 0.000 0.515 99 G N 0.871 109.640 108.800 -0.052 0.000 2.414 99 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.215 99 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.215 99 G C 1.786 176.628 174.900 -0.096 0.000 1.188 99 G CA 0.428 45.460 45.100 -0.114 0.000 0.783 99 G HN 0.315 nan 8.290 nan 0.000 0.537 100 R N 0.023 120.413 120.500 -0.184 0.000 2.140 100 R HA -0.207 4.133 4.340 -0.000 0.000 0.250 100 R C 2.217 178.385 176.300 -0.221 0.000 1.150 100 R CA 2.134 57.920 56.100 -0.523 0.000 0.966 100 R CB -0.681 29.233 30.300 -0.643 0.000 0.869 100 R HN 0.653 nan 8.270 nan 0.000 0.445 101 H N -0.467 118.527 119.070 -0.127 0.000 2.319 101 H HA -0.122 4.434 4.556 -0.000 0.000 0.299 101 H C 2.240 177.501 175.328 -0.111 0.000 1.092 101 H CA 1.620 57.614 56.048 -0.089 0.000 1.302 101 H CB -0.048 29.723 29.762 0.015 0.000 1.373 101 H HN 0.246 nan 8.280 nan 0.000 0.497 102 I N 0.497 121.104 120.570 0.062 0.000 2.394 102 I HA -0.185 3.985 4.170 -0.000 0.000 0.251 102 I C 2.752 178.820 176.117 -0.083 0.000 1.136 102 I CA 0.631 61.923 61.300 -0.014 0.000 1.425 102 I CB -0.248 37.759 38.000 0.011 0.000 1.079 102 I HN 0.282 nan 8.210 nan 0.000 0.425 103 A N 1.095 123.855 122.820 -0.099 0.000 1.930 103 A HA -0.107 4.213 4.320 -0.000 0.000 0.217 103 A C 2.279 179.780 177.584 -0.139 0.000 1.175 103 A CA 1.244 53.224 52.037 -0.096 0.000 0.627 103 A CB -0.685 18.250 19.000 -0.108 0.000 0.815 103 A HN 0.388 nan 8.150 nan 0.000 0.443 104 L N -0.988 120.116 121.223 -0.197 0.000 2.217 104 L HA -0.112 4.228 4.340 -0.000 0.000 0.211 104 L C 2.973 179.601 176.870 -0.402 0.000 1.107 104 L CA 0.713 55.376 54.840 -0.296 0.000 0.783 104 L CB -0.423 41.452 42.059 -0.307 0.000 0.919 104 L HN 0.445 nan 8.230 nan 0.000 0.442 105 A N -0.199 122.450 122.820 -0.284 0.000 1.930 105 A HA -0.174 4.146 4.320 -0.000 0.000 0.217 105 A C 2.323 179.813 177.584 -0.157 0.000 1.175 105 A CA 1.196 53.074 52.037 -0.266 0.000 0.627 105 A CB -0.245 18.586 19.000 -0.282 0.000 0.815 105 A HN 0.210 nan 8.150 nan 0.000 0.443 106 M N -0.558 118.970 119.600 -0.121 0.000 2.067 106 M HA -0.196 4.284 4.480 -0.000 0.000 0.260 106 M C 2.364 178.643 176.300 -0.035 0.000 1.069 106 M CA 2.032 57.293 55.300 -0.065 0.000 1.117 106 M CB -1.502 31.074 32.600 -0.039 0.000 1.334 106 M HN 0.715 nan 8.290 nan 0.000 0.407 107 Q N -0.092 119.680 119.800 -0.048 0.000 2.096 107 Q HA -0.237 4.103 4.340 -0.000 0.000 0.208 107 Q C 1.924 177.987 176.000 0.105 0.000 0.993 107 Q CA 2.018 57.824 55.803 0.006 0.000 0.862 107 Q CB -0.257 28.468 28.738 -0.021 0.000 0.915 107 Q HN 0.655 nan 8.270 nan 0.000 0.416 108 H N -0.460 118.596 119.070 -0.024 0.000 2.387 108 H HA -0.085 4.471 4.556 -0.000 0.000 0.299 108 H C 2.205 177.522 175.328 -0.018 0.000 1.090 108 H CA 1.010 57.054 56.048 -0.005 0.000 1.332 108 H CB 0.097 29.844 29.762 -0.025 0.000 1.386 108 H HN 0.312 nan 8.280 nan 0.000 0.516 109 I N 0.665 121.288 120.570 0.089 0.000 2.179 109 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 109 I C 2.328 178.447 176.117 0.003 0.000 1.088 109 I CA 1.325 62.639 61.300 0.022 0.000 1.357 109 I CB -0.240 37.757 38.000 -0.005 0.000 1.051 109 I HN 0.253 nan 8.210 nan 0.000 0.409 110 S N -0.060 115.645 115.700 0.008 0.000 2.727 110 S HA -0.059 4.411 4.470 -0.000 0.000 0.226 110 S C 1.196 175.800 174.600 0.006 0.000 0.963 110 S CA 0.429 58.627 58.200 -0.003 0.000 0.950 110 S CB -0.245 62.951 63.200 -0.007 0.000 0.779 110 S HN 0.544 nan 8.310 nan 0.000 0.532 111 Q N -0.486 119.324 119.800 0.016 0.000 2.103 111 Q HA 0.341 4.681 4.340 -0.000 0.000 0.219 111 Q C 1.071 177.068 176.000 -0.005 0.000 0.784 111 Q CA 0.136 55.948 55.803 0.015 0.000 1.014 111 Q CB 0.990 29.751 28.738 0.038 0.000 1.183 111 Q HN 0.651 nan 8.270 nan 0.000 0.469 112 G N 1.230 110.010 108.800 -0.032 0.000 2.179 112 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.260 112 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.260 112 G C 0.069 174.881 174.900 -0.146 0.000 0.977 112 G CA 0.446 45.492 45.100 -0.091 0.000 0.641 112 G HN 0.359 nan 8.290 nan 0.000 0.533 113 E N -0.651 119.529 120.200 -0.034 0.000 2.322 113 E HA 0.686 5.036 4.350 -0.000 0.000 0.257 113 E C 0.981 177.613 176.600 0.054 0.000 1.155 113 E CA -0.652 55.780 56.400 0.055 0.000 0.936 113 E CB 0.622 30.339 29.700 0.028 0.000 1.130 113 E HN 0.406 nan 8.360 nan 0.000 0.465 114 L N 1.850 123.162 121.223 0.148 0.000 3.550 114 L HA -0.222 4.117 4.340 -0.000 0.000 0.523 114 L C 0.392 177.348 176.870 0.145 0.000 1.312 114 L CA -0.211 54.698 54.840 0.115 0.000 0.864 114 L CB -1.490 40.635 42.059 0.111 0.000 1.592 114 L HN 0.731 nan 8.230 nan 0.000 0.859 115 H N -0.332 118.774 119.070 0.060 0.000 2.426 115 H HA -0.166 4.390 4.556 -0.000 0.000 0.298 115 H C 1.574 176.884 175.328 -0.031 0.000 1.107 115 H CA 2.247 58.308 56.048 0.021 0.000 1.298 115 H CB 0.030 29.801 29.762 0.014 0.000 1.377 115 H HN 0.609 nan 8.280 nan 0.000 0.519 116 D N -1.221 119.184 120.400 0.008 0.000 2.363 116 D HA -0.010 4.630 4.640 -0.000 0.000 0.220 116 D C -0.401 175.634 176.300 -0.441 0.000 0.994 116 D CA 0.512 54.371 54.000 -0.235 0.000 0.890 116 D CB 0.148 40.722 40.800 -0.376 0.000 0.906 116 D HN 0.393 nan 8.370 nan 0.000 0.530 117 Y N -0.050 120.256 120.300 0.010 0.000 2.549 117 Y HA 0.580 5.130 4.550 -0.000 0.000 0.339 117 Y C 0.390 176.246 175.900 -0.073 0.000 1.053 117 Y CA -1.069 57.007 58.100 -0.039 0.000 1.105 117 Y CB 2.128 40.553 38.460 -0.058 0.000 1.258 117 Y HN -0.196 nan 8.280 nan 0.000 0.478 118 S N 0.254 115.989 115.700 0.059 0.000 2.586 118 S HA 0.383 4.853 4.470 -0.000 0.000 0.277 118 S C -1.718 172.853 174.600 -0.047 0.000 1.131 118 S CA -1.071 57.126 58.200 -0.005 0.000 0.848 118 S CB 0.557 63.751 63.200 -0.010 0.000 1.091 118 S HN 0.430 nan 8.310 nan 0.000 0.453 119 I N 2.716 123.261 120.570 -0.041 0.000 2.705 119 I HA 0.114 4.284 4.170 -0.000 0.000 0.291 119 I C 1.746 177.851 176.117 -0.019 0.000 1.146 119 I CA 0.529 61.805 61.300 -0.041 0.000 1.383 119 I CB -1.217 36.772 38.000 -0.017 0.000 1.454 119 I HN 0.754 nan 8.210 nan 0.000 0.581 120 R N 2.860 123.339 120.500 -0.036 0.000 2.323 120 R HA -0.006 4.334 4.340 -0.000 0.000 0.198 120 R C 0.063 176.374 176.300 0.019 0.000 0.988 120 R CA 0.439 56.539 56.100 0.000 0.000 1.041 120 R CB 0.214 30.524 30.300 0.016 0.000 0.926 120 R HN 0.556 nan 8.270 nan 0.000 0.476 121 D N 0.433 120.846 120.400 0.022 0.000 2.472 121 D HA 0.033 4.673 4.640 -0.000 0.000 0.248 121 D C 0.331 176.676 176.300 0.075 0.000 1.271 121 D CA -0.041 53.985 54.000 0.042 0.000 0.888 121 D CB 0.609 41.433 40.800 0.039 0.000 1.337 121 D HN 0.022 nan 8.370 nan 0.000 0.526 122 E N 1.033 121.299 120.200 0.111 0.000 2.153 122 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 122 E C 1.892 178.682 176.600 0.317 0.000 0.988 122 E CA 0.986 57.530 56.400 0.241 0.000 0.811 122 E CB 0.189 30.076 29.700 0.312 0.000 0.746 122 E HN 0.477 nan 8.360 nan 0.000 0.466 123 A N 2.633 125.541 122.820 0.147 0.000 1.869 123 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 123 A C 2.203 179.867 177.584 0.132 0.000 1.203 123 A CA 1.701 53.797 52.037 0.099 0.000 0.638 123 A CB -0.449 18.570 19.000 0.032 0.000 0.831 123 A HN -0.015 nan 8.150 nan 0.000 0.450 124 K N -0.751 119.708 120.400 0.099 0.000 2.063 124 K HA -0.148 4.172 4.320 -0.000 0.000 0.208 124 K C 1.984 178.644 176.600 0.100 0.000 1.048 124 K CA 1.693 58.033 56.287 0.087 0.000 0.928 124 K CB -0.727 31.815 32.500 0.070 0.000 0.713 124 K HN 0.407 nan 8.250 nan 0.000 0.442 125 L N 0.533 121.817 121.223 0.101 0.000 1.989 125 L HA -0.224 4.116 4.340 -0.000 0.000 0.211 125 L C 2.178 179.049 176.870 0.002 0.000 1.071 125 L CA 1.815 56.677 54.840 0.036 0.000 0.749 125 L CB -0.804 41.241 42.059 -0.023 0.000 0.890 125 L HN 0.149 nan 8.230 nan 0.000 0.431 126 Y N -0.235 120.064 120.300 -0.001 0.000 2.128 126 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 126 Y C 2.572 178.464 175.900 -0.013 0.000 1.154 126 Y CA 1.649 59.743 58.100 -0.010 0.000 1.149 126 Y CB -1.195 37.259 38.460 -0.011 0.000 0.976 126 Y HN 0.331 nan 8.280 nan 0.000 0.505 127 A N 0.348 123.262 122.820 0.156 0.000 1.883 127 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 127 A C 2.269 179.875 177.584 0.036 0.000 1.186 127 A CA 2.032 54.117 52.037 0.080 0.000 0.624 127 A CB -1.210 17.833 19.000 0.070 0.000 0.822 127 A HN 0.498 nan 8.150 nan 0.000 0.444 128 I N -0.257 120.336 120.570 0.040 0.000 2.194 128 I HA -0.353 3.817 4.170 -0.000 0.000 0.246 128 I C 2.949 179.013 176.117 -0.088 0.000 1.093 128 I CA 1.181 62.487 61.300 0.010 0.000 1.355 128 I CB -0.329 37.718 38.000 0.077 0.000 1.046 128 I HN 0.393 nan 8.210 nan 0.000 0.413 129 A N 0.476 123.251 122.820 -0.075 0.000 1.902 129 A HA -0.262 4.058 4.320 -0.000 0.000 0.217 129 A C 2.404 179.936 177.584 -0.086 0.000 1.181 129 A CA 1.873 53.846 52.037 -0.108 0.000 0.623 129 A CB -0.520 18.412 19.000 -0.114 0.000 0.818 129 A HN 0.374 nan 8.150 nan 0.000 0.443 130 K N -0.870 119.507 120.400 -0.039 0.000 2.057 130 K HA -0.144 4.176 4.320 -0.000 0.000 0.207 130 K C 2.038 178.599 176.600 -0.065 0.000 1.049 130 K CA 1.867 58.134 56.287 -0.033 0.000 0.931 130 K CB -0.361 32.137 32.500 -0.003 0.000 0.714 130 K HN 0.433 nan 8.250 nan 0.000 0.440 131 T N 1.601 116.107 114.554 -0.079 0.000 2.674 131 T HA -0.136 4.214 4.350 -0.000 0.000 0.265 131 T C 1.560 176.157 174.700 -0.173 0.000 1.039 131 T CA 1.276 63.312 62.100 -0.106 0.000 1.150 131 T CB -0.121 68.689 68.868 -0.097 0.000 0.864 131 T HN 0.098 nan 8.240 nan 0.000 0.427 132 L N 0.651 121.720 121.223 -0.257 0.000 2.622 132 L HA 0.246 4.586 4.340 -0.000 0.000 0.233 132 L C 1.711 178.458 176.870 -0.205 0.000 1.156 132 L CA 0.824 55.470 54.840 -0.324 0.000 0.866 132 L CB -0.976 40.801 42.059 -0.470 0.000 0.980 132 L HN 0.532 nan 8.230 nan 0.000 0.448 133 G N -0.497 108.215 108.800 -0.146 0.000 2.225 133 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.264 133 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.264 133 G C 0.052 174.897 174.900 -0.092 0.000 1.060 133 G CA 0.224 45.263 45.100 -0.101 0.000 0.833 133 G HN 0.128 nan 8.290 nan 0.000 0.498 134 V N 0.306 120.161 119.914 -0.100 0.000 2.532 134 V HA 0.764 4.884 4.120 -0.000 0.000 0.295 134 V C 1.001 177.057 176.094 -0.062 0.000 1.041 134 V CA -0.416 61.832 62.300 -0.086 0.000 0.926 134 V CB 1.728 33.487 31.823 -0.107 0.000 0.992 134 V HN 1.219 nan 8.190 nan 0.000 0.457 135 A N 3.035 125.827 122.820 -0.048 0.000 2.491 135 A HA 0.413 4.733 4.320 -0.000 0.000 0.261 135 A C 1.201 178.772 177.584 -0.022 0.000 1.101 135 A CA 0.612 52.633 52.037 -0.026 0.000 0.772 135 A CB 0.122 19.110 19.000 -0.020 0.000 1.043 135 A HN 1.125 nan 8.150 nan 0.000 0.501 136 T N 0.163 114.727 114.554 0.017 0.000 3.056 136 T HA 0.108 4.458 4.350 -0.000 0.000 0.241 136 T C 0.420 175.186 174.700 0.111 0.000 1.006 136 T CA 0.327 62.466 62.100 0.065 0.000 1.115 136 T CB -0.476 68.518 68.868 0.210 0.000 0.939 136 T HN 0.536 nan 8.240 nan 0.000 0.462 137 E N 2.242 122.493 120.200 0.085 0.000 3.250 137 E HA 0.335 4.685 4.350 -0.000 0.000 0.244 137 E C 1.091 177.722 176.600 0.051 0.000 0.931 137 E CA 1.112 57.549 56.400 0.061 0.000 0.954 137 E CB -0.938 28.781 29.700 0.031 0.000 0.894 137 E HN 0.737 nan 8.360 nan 0.000 0.560 138 G N 3.655 112.489 108.800 0.057 0.000 2.369 138 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.286 138 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.286 138 G C 0.661 175.584 174.900 0.038 0.000 0.938 138 G CA 0.840 45.966 45.100 0.043 0.000 1.271 138 G HN 0.569 nan 8.290 nan 0.000 0.488 139 R N -0.253 120.277 120.500 0.051 0.000 2.470 139 R HA 0.432 4.772 4.340 -0.000 0.000 0.210 139 R C 1.185 177.496 176.300 0.019 0.000 0.873 139 R CA 0.365 56.479 56.100 0.024 0.000 1.015 139 R CB 0.902 31.205 30.300 0.005 0.000 1.348 139 R HN 1.638 nan 8.270 nan 0.000 0.650 140 G N 1.034 109.859 108.800 0.041 0.000 2.697 140 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.686 140 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.686 140 G C -0.122 174.773 174.900 -0.007 0.000 1.179 140 G CA -0.716 44.401 45.100 0.030 0.000 0.765 140 G HN 0.018 nan 8.290 nan 0.000 0.649 141 L N 1.393 122.616 121.223 0.001 0.000 1.961 141 L HA 0.151 4.491 4.340 -0.000 0.000 0.210 141 L C 2.873 179.704 176.870 -0.064 0.000 1.072 141 L CA 2.141 56.951 54.840 -0.049 0.000 0.749 141 L CB -0.541 41.515 42.059 -0.005 0.000 0.889 141 L HN 0.675 nan 8.230 nan 0.000 0.432 142 L N -0.765 120.436 121.223 -0.036 0.000 2.721 142 L HA -0.124 4.216 4.340 -0.000 0.000 0.241 142 L C 1.963 178.812 176.870 -0.035 0.000 1.168 142 L CA 0.557 55.377 54.840 -0.034 0.000 0.866 142 L CB -1.187 40.858 42.059 -0.022 0.000 0.996 142 L HN 0.345 nan 8.230 nan 0.000 0.451 143 A N 0.310 123.103 122.820 -0.046 0.000 1.969 143 A HA 0.143 4.463 4.320 -0.000 0.000 0.205 143 A C 2.048 179.593 177.584 -0.065 0.000 1.364 143 A CA 0.062 52.073 52.037 -0.043 0.000 0.756 143 A CB -0.106 18.873 19.000 -0.035 0.000 0.988 143 A HN 0.243 nan 8.150 nan 0.000 0.490 144 I N 0.127 120.635 120.570 -0.103 0.000 2.394 144 I HA -0.169 4.001 4.170 -0.000 0.000 0.251 144 I C 2.199 178.241 176.117 -0.125 0.000 1.136 144 I CA 0.840 62.053 61.300 -0.145 0.000 1.425 144 I CB -0.269 37.571 38.000 -0.267 0.000 1.079 144 I HN 0.117 nan 8.210 nan 0.000 0.425 145 V N 1.250 121.100 119.914 -0.107 0.000 2.270 145 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 145 V C 2.709 178.777 176.094 -0.042 0.000 1.043 145 V CA 2.182 64.438 62.300 -0.073 0.000 1.014 145 V CB -1.361 30.426 31.823 -0.061 0.000 0.645 145 V HN 0.542 nan 8.190 nan 0.000 0.447 146 G N -0.171 108.607 108.800 -0.036 0.000 2.503 146 G HA2 -0.310 3.649 3.960 -0.000 0.000 0.221 146 G HA3 -0.310 3.649 3.960 -0.000 0.000 0.221 146 G C 1.219 176.109 174.900 -0.017 0.000 1.131 146 G CA 1.331 46.420 45.100 -0.018 0.000 0.756 146 G HN 0.516 nan 8.290 nan 0.000 0.572 147 D N 0.318 120.698 120.400 -0.033 0.000 2.103 147 D HA -0.024 4.616 4.640 -0.000 0.000 0.199 147 D C 2.700 178.981 176.300 -0.030 0.000 0.978 147 D CA 0.324 54.303 54.000 -0.035 0.000 0.829 147 D CB -0.377 40.391 40.800 -0.054 0.000 0.981 147 D HN 0.289 nan 8.370 nan 0.000 0.464 148 L N 0.711 121.913 121.223 -0.035 0.000 2.042 148 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 148 L C 2.451 179.358 176.870 0.062 0.000 1.076 148 L CA 1.217 56.053 54.840 -0.006 0.000 0.749 148 L CB -0.441 41.619 42.059 0.002 0.000 0.893 148 L HN -0.002 nan 8.230 nan 0.000 0.432 149 A N -0.293 122.550 122.820 0.039 0.000 1.969 149 A HA -0.077 4.243 4.320 -0.000 0.000 0.218 149 A C 2.463 180.077 177.584 0.050 0.000 1.169 149 A CA 1.552 53.616 52.037 0.044 0.000 0.635 149 A CB -0.465 18.540 19.000 0.008 0.000 0.810 149 A HN 0.414 nan 8.150 nan 0.000 0.445 150 A N -0.273 122.568 122.820 0.035 0.000 1.930 150 A HA 0.110 4.430 4.320 -0.000 0.000 0.215 150 A C 2.074 179.691 177.584 0.056 0.000 1.176 150 A CA 1.112 53.171 52.037 0.037 0.000 0.632 150 A CB -0.420 18.590 19.000 0.018 0.000 0.819 150 A HN 0.456 nan 8.150 nan 0.000 0.445 151 I N -0.797 119.800 120.570 0.045 0.000 2.133 151 I HA -0.202 3.968 4.170 -0.000 0.000 0.238 151 I C 2.646 178.850 176.117 0.144 0.000 1.074 151 I CA 1.727 63.050 61.300 0.038 0.000 1.342 151 I CB -0.736 37.232 38.000 -0.053 0.000 1.053 151 I HN 0.218 nan 8.210 nan 0.000 0.404 152 T N 1.305 116.011 114.554 0.254 0.000 2.635 152 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 152 T C 1.822 176.747 174.700 0.375 0.000 1.040 152 T CA 1.473 63.849 62.100 0.460 0.000 1.156 152 T CB -0.291 68.857 68.868 0.467 0.000 0.863 152 T HN 0.068 nan 8.240 nan 0.000 0.430 153 L N 1.000 122.363 121.223 0.232 0.000 2.265 153 L HA 0.081 4.421 4.340 -0.000 0.000 0.215 153 L C 2.635 179.659 176.870 0.256 0.000 1.117 153 L CA 1.283 56.241 54.840 0.198 0.000 0.782 153 L CB -1.146 40.942 42.059 0.049 0.000 0.914 153 L HN 0.346 nan 8.230 nan 0.000 0.441 154 G N -1.262 107.650 108.800 0.187 0.000 2.422 154 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 154 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 154 G C 1.224 176.200 174.900 0.126 0.000 1.146 154 G CA 0.611 45.789 45.100 0.130 0.000 0.769 154 G HN 0.306 nan 8.290 nan 0.000 0.547 155 D N -0.290 120.198 120.400 0.146 0.000 2.403 155 D HA -0.005 4.635 4.640 -0.000 0.000 0.227 155 D C 1.150 177.322 176.300 -0.212 0.000 0.995 155 D CA 0.461 54.444 54.000 -0.029 0.000 0.928 155 D CB -0.114 40.666 40.800 -0.033 0.000 0.887 155 D HN 0.413 nan 8.370 nan 0.000 0.529 156 F N -0.519 119.418 119.950 -0.022 0.000 2.706 156 F HA 0.185 4.712 4.527 -0.000 0.000 0.308 156 F C 1.790 177.570 175.800 -0.033 0.000 1.095 156 F CA -0.075 57.902 58.000 -0.038 0.000 1.244 156 F CB 0.428 39.413 39.000 -0.024 0.000 1.063 156 F HN -0.059 nan 8.300 nan 0.000 0.582 157 Q N -1.100 118.780 119.800 0.134 0.000 2.211 157 Q HA 0.160 4.500 4.340 -0.000 0.000 0.242 157 Q C 0.217 176.251 176.000 0.057 0.000 0.825 157 Q CA -0.245 55.611 55.803 0.088 0.000 0.951 157 Q CB -0.145 28.649 28.738 0.092 0.000 1.130 157 Q HN 0.085 nan 8.270 nan 0.000 0.496 158 N N 2.033 120.755 118.700 0.037 0.000 2.357 158 N HA -0.095 4.645 4.740 -0.000 0.000 0.257 158 N C 0.233 175.815 175.510 0.119 0.000 1.250 158 N CA 0.640 53.727 53.050 0.062 0.000 0.862 158 N CB 0.716 39.233 38.487 0.050 0.000 1.066 158 N HN 0.081 nan 8.380 nan 0.000 0.468 159 Q N 1.036 120.927 119.800 0.151 0.000 2.219 159 Q HA 0.082 4.422 4.340 -0.000 0.000 0.209 159 Q C -0.739 175.386 176.000 0.209 0.000 0.854 159 Q CA -0.008 55.913 55.803 0.197 0.000 0.960 159 Q CB 0.026 28.836 28.738 0.119 0.000 1.116 159 Q HN 0.630 nan 8.270 nan 0.000 0.500 160 D N -0.142 120.383 120.400 0.209 0.000 2.428 160 D HA -0.005 4.635 4.640 -0.000 0.000 0.221 160 D C 0.546 176.873 176.300 0.044 0.000 1.123 160 D CA -0.593 53.477 54.000 0.116 0.000 0.869 160 D CB 0.204 41.051 40.800 0.077 0.000 1.032 160 D HN -0.005 nan 8.370 nan 0.000 0.506 161 Y N 2.847 122.967 120.300 -0.300 0.000 2.365 161 Y HA -0.195 4.355 4.550 -0.000 0.000 0.287 161 Y C 0.979 176.697 175.900 -0.302 0.000 1.162 161 Y CA 1.675 59.367 58.100 -0.679 0.000 1.260 161 Y CB 0.371 38.562 38.460 -0.449 0.000 0.976 161 Y HN 0.428 nan 8.280 nan 0.000 0.548 162 D N -0.554 119.809 120.400 -0.062 0.000 2.369 162 D HA 0.023 4.662 4.640 -0.000 0.000 0.211 162 D C 0.188 176.466 176.300 -0.036 0.000 1.077 162 D CA 0.257 54.227 54.000 -0.051 0.000 0.842 162 D CB 0.051 40.858 40.800 0.012 0.000 0.947 162 D HN 0.213 nan 8.370 nan 0.000 0.509 163 K N 2.334 122.729 120.400 -0.007 0.000 2.266 163 K HA 0.265 4.585 4.320 -0.000 0.000 0.274 163 K C -2.689 173.917 176.600 0.011 0.000 1.090 163 K CA -1.888 54.404 56.287 0.008 0.000 0.925 163 K CB 1.162 33.679 32.500 0.029 0.000 1.225 163 K HN -0.236 nan 8.250 nan 0.000 0.458 164 P HA -0.105 nan 4.420 nan 0.000 0.269 164 P C -0.418 176.869 177.300 -0.022 0.000 1.205 164 P CA -0.262 62.821 63.100 -0.027 0.000 0.780 164 P CB 0.442 32.120 31.700 -0.036 0.000 0.858 165 C N 1.958 121.238 119.300 -0.034 0.000 2.662 165 C HA 0.219 4.679 4.460 -0.000 0.000 0.420 165 C C 2.176 177.162 174.990 -0.007 0.000 1.314 165 C CA 0.657 59.659 59.018 -0.027 0.000 1.963 165 C CB -0.361 27.349 27.740 -0.051 0.000 2.686 165 C HN 0.694 nan 8.230 nan 0.000 0.609 166 A N 2.601 125.420 122.820 -0.002 0.000 1.849 166 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 166 A C 1.799 179.328 177.584 -0.093 0.000 1.202 166 A CA 1.791 53.781 52.037 -0.079 0.000 0.629 166 A CB -0.860 18.051 19.000 -0.148 0.000 0.834 166 A HN 0.995 nan 8.150 nan 0.000 0.447 167 W N -0.086 121.165 121.300 -0.081 0.000 2.305 167 W HA -0.178 4.482 4.660 -0.000 0.000 0.308 167 W C 2.207 178.663 176.519 -0.107 0.000 1.226 167 W CA 1.422 58.712 57.345 -0.091 0.000 1.253 167 W CB -0.657 28.739 29.460 -0.105 0.000 1.146 167 W HN 0.264 nan 8.180 nan 0.000 0.507 168 L N -0.415 120.869 121.223 0.101 0.000 1.994 168 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 168 L C 2.667 179.525 176.870 -0.021 0.000 1.071 168 L CA 1.467 56.308 54.840 0.001 0.000 0.745 168 L CB -1.304 40.731 42.059 -0.041 0.000 0.892 168 L HN 0.014 nan 8.230 nan 0.000 0.431 169 A N -0.368 122.434 122.820 -0.030 0.000 2.024 169 A HA -0.168 4.152 4.320 -0.000 0.000 0.220 169 A C 2.333 179.886 177.584 -0.052 0.000 1.164 169 A CA 1.851 53.863 52.037 -0.042 0.000 0.643 169 A CB -0.555 18.416 19.000 -0.047 0.000 0.806 169 A HN 0.468 nan 8.150 nan 0.000 0.451 170 A N -1.548 121.232 122.820 -0.067 0.000 2.044 170 A HA 0.222 4.542 4.320 -0.000 0.000 0.213 170 A C 2.055 179.607 177.584 -0.053 0.000 1.169 170 A CA 1.349 53.333 52.037 -0.087 0.000 0.724 170 A CB -0.109 18.788 19.000 -0.171 0.000 0.840 170 A HN 0.385 nan 8.150 nan 0.000 0.463 171 S N -0.584 115.104 115.700 -0.019 0.000 2.524 171 S HA 0.389 4.859 4.470 -0.000 0.000 0.215 171 S C 0.351 174.942 174.600 -0.016 0.000 0.986 171 S CA -0.256 57.945 58.200 0.002 0.000 0.911 171 S CB -0.050 63.184 63.200 0.055 0.000 0.805 171 S HN 0.383 nan 8.310 nan 0.000 0.501 172 L N 2.087 123.294 121.223 -0.026 0.000 2.352 172 L HA 0.406 4.745 4.340 -0.000 0.000 0.269 172 L C 0.770 177.628 176.870 -0.021 0.000 1.034 172 L CA -0.921 53.902 54.840 -0.028 0.000 0.806 172 L CB 0.846 42.884 42.059 -0.035 0.000 1.244 172 L HN 0.099 nan 8.230 nan 0.000 0.447 173 T N -1.657 112.888 114.554 -0.015 0.000 2.933 173 T HA 0.030 4.380 4.350 -0.000 0.000 0.306 173 T C -1.458 173.233 174.700 -0.014 0.000 1.045 173 T CA -1.033 61.060 62.100 -0.012 0.000 1.143 173 T CB 0.513 69.376 68.868 -0.007 0.000 1.003 173 T HN 0.509 nan 8.240 nan 0.000 0.540 174 P HA -0.151 nan 4.420 nan 0.000 0.219 174 P C 1.457 178.749 177.300 -0.012 0.000 1.146 174 P CA 0.902 63.993 63.100 -0.015 0.000 0.808 174 P CB 0.132 31.823 31.700 -0.015 0.000 0.779 175 R N -0.267 120.227 120.500 -0.009 0.000 2.073 175 R HA -0.103 4.237 4.340 -0.000 0.000 0.234 175 R C 2.661 178.958 176.300 -0.005 0.000 1.134 175 R CA 1.099 57.195 56.100 -0.006 0.000 0.952 175 R CB -0.306 29.992 30.300 -0.003 0.000 0.850 175 R HN -0.111 nan 8.270 nan 0.000 0.433 176 R N 0.299 120.796 120.500 -0.005 0.000 2.073 176 R HA -0.081 4.258 4.340 -0.000 0.000 0.234 176 R C 2.174 178.470 176.300 -0.008 0.000 1.134 176 R CA 1.393 57.490 56.100 -0.004 0.000 0.952 176 R CB -0.837 29.460 30.300 -0.005 0.000 0.850 176 R HN 0.185 nan 8.270 nan 0.000 0.433 177 V N 1.920 121.826 119.914 -0.014 0.000 2.380 177 V HA -0.246 3.874 4.120 -0.000 0.000 0.251 177 V C 2.637 178.723 176.094 -0.014 0.000 1.063 177 V CA 1.702 63.992 62.300 -0.018 0.000 1.055 177 V CB -0.485 31.325 31.823 -0.022 0.000 0.657 177 V HN 0.260 nan 8.190 nan 0.000 0.455 178 K N 0.142 120.535 120.400 -0.010 0.000 2.062 178 K HA -0.140 4.180 4.320 -0.000 0.000 0.205 178 K C 2.340 178.938 176.600 -0.003 0.000 1.051 178 K CA 1.392 57.675 56.287 -0.007 0.000 0.941 178 K CB -0.155 32.341 32.500 -0.006 0.000 0.719 178 K HN 0.392 nan 8.250 nan 0.000 0.440 179 R N 0.501 121.000 120.500 -0.001 0.000 2.064 179 R HA -0.029 4.311 4.340 -0.000 0.000 0.228 179 R C 2.552 178.856 176.300 0.005 0.000 1.144 179 R CA 1.256 57.358 56.100 0.004 0.000 0.932 179 R CB -0.344 29.960 30.300 0.007 0.000 0.833 179 R HN 0.106 nan 8.270 nan 0.000 0.429 180 L N -0.214 121.011 121.223 0.003 0.000 2.013 180 L HA -0.147 4.192 4.340 -0.000 0.000 0.212 180 L C 2.602 179.471 176.870 -0.001 0.000 1.073 180 L CA 1.604 56.446 54.840 0.004 0.000 0.753 180 L CB -1.075 40.984 42.059 -0.000 0.000 0.890 180 L HN 0.526 nan 8.230 nan 0.000 0.432 181 G N -0.134 108.661 108.800 -0.008 0.000 2.469 181 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 181 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 181 G C 1.161 176.060 174.900 -0.002 0.000 1.150 181 G CA 1.049 46.142 45.100 -0.012 0.000 0.763 181 G HN 0.355 nan 8.290 nan 0.000 0.561 182 D N 0.116 120.517 120.400 0.003 0.000 2.219 182 D HA -0.030 4.609 4.640 -0.000 0.000 0.205 182 D C 2.096 178.405 176.300 0.015 0.000 0.970 182 D CA 0.502 54.507 54.000 0.009 0.000 0.851 182 D CB 0.039 40.843 40.800 0.008 0.000 0.943 182 D HN 0.213 nan 8.370 nan 0.000 0.488 183 L N -0.382 120.851 121.223 0.017 0.000 2.591 183 L HA 0.225 4.565 4.340 -0.000 0.000 0.228 183 L C 1.658 178.547 176.870 0.031 0.000 1.133 183 L CA 0.391 55.246 54.840 0.025 0.000 0.880 183 L CB -0.473 41.602 42.059 0.026 0.000 1.033 183 L HN 0.069 nan 8.230 nan 0.000 0.450 184 G N -0.245 108.568 108.800 0.022 0.000 2.179 184 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.257 184 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.257 184 G C 0.834 175.741 174.900 0.011 0.000 1.010 184 G CA 0.550 45.664 45.100 0.024 0.000 0.736 184 G HN 0.385 nan 8.290 nan 0.000 0.513 185 L N -0.986 120.241 121.223 0.008 0.000 2.629 185 L HA 0.374 4.714 4.340 -0.000 0.000 0.230 185 L C 0.730 177.593 176.870 -0.012 0.000 1.151 185 L CA -0.275 54.572 54.840 0.012 0.000 0.924 185 L CB 0.179 42.254 42.059 0.028 0.000 1.137 185 L HN 0.158 nan 8.230 nan 0.000 0.457 186 L N 2.630 123.828 121.223 -0.042 0.000 2.262 186 L HA 0.409 4.749 4.340 -0.000 0.000 0.288 186 L C -1.915 174.901 176.870 -0.090 0.000 1.035 186 L CA -1.850 52.957 54.840 -0.056 0.000 0.820 186 L CB 0.879 42.906 42.059 -0.052 0.000 1.204 186 L HN -0.182 nan 8.230 nan 0.000 0.424 187 P HA 0.099 nan 4.420 nan 0.000 0.272 187 P C -0.365 176.906 177.300 -0.048 0.000 1.230 187 P CA 0.099 63.160 63.100 -0.065 0.000 0.788 187 P CB 0.703 32.359 31.700 -0.074 0.000 0.949 188 H N -0.094 118.851 119.070 -0.208 0.000 2.885 188 H HA 0.266 4.822 4.556 -0.000 0.000 0.260 188 H C -0.326 174.940 175.328 -0.104 0.000 0.985 188 H CA -0.011 55.944 56.048 -0.155 0.000 1.210 188 H CB 0.362 30.018 29.762 -0.176 0.000 1.466 188 H HN 0.352 nan 8.280 nan 0.000 0.493 189 N N 0.763 119.031 118.700 -0.721 0.000 2.648 189 N HA 0.111 4.851 4.740 -0.000 0.000 0.272 189 N C 0.470 175.729 175.510 -0.418 0.000 1.118 189 N CA -0.375 52.334 53.050 -0.569 0.000 0.973 189 N CB 1.027 39.109 38.487 -0.675 0.000 1.565 189 N HN 0.059 nan 8.380 nan 0.000 0.542 190 I N 1.362 121.678 120.570 -0.424 0.000 2.091 190 I HA -0.279 3.891 4.170 -0.000 0.000 0.239 190 I C 1.290 177.285 176.117 -0.204 0.000 1.061 190 I CA 1.270 62.343 61.300 -0.378 0.000 1.317 190 I CB -0.070 37.521 38.000 -0.681 0.000 1.031 190 I HN 0.503 nan 8.210 nan 0.000 0.401 191 D N 0.971 121.291 120.400 -0.132 0.000 2.123 191 D HA -0.146 4.494 4.640 -0.000 0.000 0.196 191 D C 2.232 178.525 176.300 -0.012 0.000 0.992 191 D CA 1.648 55.652 54.000 0.007 0.000 0.833 191 D CB -0.247 40.621 40.800 0.115 0.000 0.954 191 D HN 0.373 nan 8.370 nan 0.000 0.455 192 A N 0.280 123.065 122.820 -0.059 0.000 1.933 192 A HA -0.159 4.161 4.320 -0.000 0.000 0.218 192 A C 2.419 180.018 177.584 0.026 0.000 1.175 192 A CA 1.813 53.842 52.037 -0.014 0.000 0.628 192 A CB -0.525 18.435 19.000 -0.067 0.000 0.814 192 A HN 0.154 nan 8.150 nan 0.000 0.444 193 S N -0.516 115.166 115.700 -0.030 0.000 2.356 193 S HA -0.130 4.340 4.470 -0.000 0.000 0.223 193 S C 1.924 176.546 174.600 0.036 0.000 1.032 193 S CA 1.422 59.637 58.200 0.026 0.000 1.005 193 S CB -0.470 62.716 63.200 -0.022 0.000 0.867 193 S HN 0.356 nan 8.310 nan 0.000 0.449 194 V N 2.012 121.934 119.914 0.014 0.000 2.287 194 V HA -0.232 3.888 4.120 -0.000 0.000 0.248 194 V C 2.636 178.750 176.094 0.033 0.000 1.053 194 V CA 1.832 64.145 62.300 0.022 0.000 1.027 194 V CB -1.202 30.632 31.823 0.017 0.000 0.646 194 V HN 0.544 nan 8.190 nan 0.000 0.447 195 A N -0.811 122.031 122.820 0.038 0.000 1.877 195 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 195 A C 2.144 179.758 177.584 0.050 0.000 1.186 195 A CA 1.863 53.925 52.037 0.042 0.000 0.620 195 A CB -0.499 18.526 19.000 0.042 0.000 0.822 195 A HN 0.640 nan 8.150 nan 0.000 0.443 196 Q N -0.905 118.937 119.800 0.069 0.000 2.291 196 Q HA -0.085 4.255 4.340 -0.000 0.000 0.205 196 Q C 1.940 177.982 176.000 0.070 0.000 0.970 196 Q CA 1.529 57.378 55.803 0.078 0.000 0.876 196 Q CB -0.275 28.539 28.738 0.127 0.000 0.935 196 Q HN 0.671 nan 8.270 nan 0.000 0.455 197 T N 0.675 115.268 114.554 0.065 0.000 2.812 197 T HA -0.059 4.291 4.350 -0.000 0.000 0.264 197 T C 1.755 176.484 174.700 0.049 0.000 1.042 197 T CA 0.837 62.971 62.100 0.056 0.000 1.140 197 T CB 0.034 68.930 68.868 0.046 0.000 0.870 197 T HN 0.175 nan 8.240 nan 0.000 0.445 198 M N 1.309 120.935 119.600 0.044 0.000 2.175 198 M HA 0.052 4.532 4.480 -0.000 0.000 0.264 198 M C 2.637 178.977 176.300 0.067 0.000 1.063 198 M CA 1.002 56.331 55.300 0.048 0.000 1.119 198 M CB -1.571 31.054 32.600 0.040 0.000 1.377 198 M HN 0.239 nan 8.290 nan 0.000 0.415 199 S N 1.103 116.834 115.700 0.052 0.000 2.383 199 S HA -0.141 4.329 4.470 -0.000 0.000 0.227 199 S C 1.990 176.623 174.600 0.056 0.000 1.026 199 S CA 1.207 59.430 58.200 0.038 0.000 0.981 199 S CB -0.127 63.081 63.200 0.014 0.000 0.818 199 S HN 0.603 nan 8.310 nan 0.000 0.472 200 R N 0.482 121.015 120.500 0.056 0.000 2.276 200 R HA 0.044 4.384 4.340 -0.000 0.000 0.203 200 R C 1.255 177.597 176.300 0.070 0.000 1.017 200 R CA 1.447 57.580 56.100 0.055 0.000 1.010 200 R CB -0.916 29.412 30.300 0.047 0.000 0.900 200 R HN 0.519 nan 8.270 nan 0.000 0.469 201 T N -2.532 112.070 114.554 0.080 0.000 3.134 201 T HA 0.071 4.421 4.350 -0.000 0.000 0.260 201 T C 0.122 174.876 174.700 0.091 0.000 1.027 201 T CA -0.574 61.569 62.100 0.073 0.000 0.913 201 T CB -0.347 68.554 68.868 0.055 0.000 1.046 201 T HN 0.391 nan 8.240 nan 0.000 0.553 202 H N 0.977 120.055 119.070 0.014 0.000 2.671 202 H HA 0.493 5.048 4.556 -0.000 0.000 0.372 202 H C 0.430 175.763 175.328 0.009 0.000 1.227 202 H CA -0.277 55.778 56.048 0.011 0.000 1.426 202 H CB 0.812 30.579 29.762 0.008 0.000 1.480 202 H HN 0.098 nan 8.280 nan 0.000 0.611 203 V N 3.376 123.020 119.914 -0.451 0.000 2.814 203 V HA 0.172 4.292 4.120 -0.000 0.000 0.307 203 V C 1.074 177.179 176.094 0.019 0.000 1.089 203 V CA 1.257 63.433 62.300 -0.207 0.000 1.212 203 V CB -0.328 31.326 31.823 -0.280 0.000 0.912 203 V HN 1.243 nan 8.190 nan 0.000 0.497 204 G N 3.744 112.555 108.800 0.019 0.000 2.249 204 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.273 204 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.273 204 G C 0.221 175.160 174.900 0.066 0.000 1.036 204 G CA 0.296 45.423 45.100 0.044 0.000 0.824 204 G HN 1.072 nan 8.290 nan 0.000 0.504 205 C N -1.326 118.014 119.300 0.067 0.000 3.178 205 C HA 0.618 5.078 4.460 -0.000 0.000 0.099 205 C C 0.908 175.920 174.990 0.037 0.000 2.497 205 C CA -0.022 59.032 59.018 0.060 0.000 1.927 205 C CB 0.340 28.133 27.740 0.087 0.000 3.085 205 C HN 0.577 nan 8.230 nan 0.000 0.376 206 D N 0.232 120.655 120.400 0.038 0.000 2.401 206 D HA 0.445 5.085 4.640 -0.000 0.000 0.254 206 D C 0.284 176.603 176.300 0.030 0.000 1.192 206 D CA 0.466 54.485 54.000 0.031 0.000 0.885 206 D CB 0.913 41.734 40.800 0.035 0.000 1.147 206 D HN 0.564 nan 8.370 nan 0.000 0.478 207 A N 3.541 126.375 122.820 0.023 0.000 2.312 207 A HA 0.112 4.432 4.320 -0.000 0.000 0.215 207 A C 0.690 178.288 177.584 0.025 0.000 1.256 207 A CA -0.258 51.792 52.037 0.022 0.000 0.966 207 A CB 0.040 19.047 19.000 0.011 0.000 1.053 207 A HN 0.585 nan 8.150 nan 0.000 0.510 208 D N 0.645 121.059 120.400 0.024 0.000 2.401 208 D HA 0.257 4.897 4.640 -0.000 0.000 0.254 208 D C -1.566 174.754 176.300 0.033 0.000 1.192 208 D CA -1.316 52.699 54.000 0.026 0.000 0.885 208 D CB 1.131 41.944 40.800 0.023 0.000 1.147 208 D HN 0.007 nan 8.370 nan 0.000 0.478 209 P HA -0.188 nan 4.420 nan 0.000 0.216 209 P C 1.113 178.439 177.300 0.043 0.000 1.157 209 P CA 1.444 64.568 63.100 0.040 0.000 0.880 209 P CB 0.152 31.875 31.700 0.039 0.000 0.791 210 T N -1.228 113.350 114.554 0.040 0.000 2.777 210 T HA -0.139 4.211 4.350 -0.000 0.000 0.266 210 T C 1.770 176.498 174.700 0.046 0.000 1.040 210 T CA 1.172 63.298 62.100 0.044 0.000 1.141 210 T CB -0.963 67.928 68.868 0.038 0.000 0.868 210 T HN 0.191 nan 8.240 nan 0.000 0.444 211 N N 1.003 119.727 118.700 0.041 0.000 2.120 211 N HA -0.033 4.707 4.740 -0.000 0.000 0.188 211 N C 1.934 177.474 175.510 0.050 0.000 1.024 211 N CA 0.993 54.069 53.050 0.043 0.000 0.852 211 N CB -0.208 38.300 38.487 0.035 0.000 1.003 211 N HN 0.352 nan 8.380 nan 0.000 0.424 212 L N 0.768 122.020 121.223 0.048 0.000 2.017 212 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 212 L C 2.290 179.194 176.870 0.057 0.000 1.073 212 L CA 0.706 55.577 54.840 0.051 0.000 0.745 212 L CB -0.319 41.768 42.059 0.047 0.000 0.894 212 L HN 0.173 nan 8.230 nan 0.000 0.432 213 I N -0.251 120.355 120.570 0.060 0.000 2.394 213 I HA -0.252 3.918 4.170 -0.000 0.000 0.251 213 I C 2.449 178.612 176.117 0.077 0.000 1.136 213 I CA 1.513 62.855 61.300 0.070 0.000 1.425 213 I CB -0.834 37.211 38.000 0.075 0.000 1.079 213 I HN 0.282 nan 8.210 nan 0.000 0.425 214 L N 0.355 121.620 121.223 0.070 0.000 2.056 214 L HA -0.094 4.246 4.340 -0.000 0.000 0.207 214 L C 2.632 179.548 176.870 0.077 0.000 1.078 214 L CA 1.455 56.337 54.840 0.072 0.000 0.749 214 L CB -1.031 41.067 42.059 0.065 0.000 0.901 214 L HN 0.263 nan 8.230 nan 0.000 0.433 215 G N -0.509 108.337 108.800 0.078 0.000 2.432 215 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 215 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 215 G C 1.533 176.481 174.900 0.080 0.000 1.135 215 G CA 0.750 45.902 45.100 0.086 0.000 0.767 215 G HN 0.502 nan 8.290 nan 0.000 0.550 216 G N 0.709 109.554 108.800 0.075 0.000 2.403 216 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.216 216 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.216 216 G C 1.748 176.702 174.900 0.090 0.000 1.154 216 G CA 0.416 45.561 45.100 0.074 0.000 0.784 216 G HN 0.408 nan 8.290 nan 0.000 0.538 217 L N -0.075 121.205 121.223 0.095 0.000 2.083 217 L HA -0.040 4.300 4.340 -0.000 0.000 0.209 217 L C 2.900 179.826 176.870 0.094 0.000 1.083 217 L CA 1.284 56.187 54.840 0.104 0.000 0.752 217 L CB -0.334 41.780 42.059 0.093 0.000 0.899 217 L HN 0.234 nan 8.230 nan 0.000 0.433 218 R N 0.269 120.814 120.500 0.075 0.000 2.066 218 R HA -0.122 4.218 4.340 -0.000 0.000 0.232 218 R C 2.176 178.507 176.300 0.051 0.000 1.131 218 R CA 1.523 57.655 56.100 0.054 0.000 0.955 218 R CB -0.195 30.137 30.300 0.052 0.000 0.851 218 R HN 0.145 nan 8.270 nan 0.000 0.432 219 V N 1.255 121.207 119.914 0.063 0.000 2.490 219 V HA -0.181 3.939 4.120 -0.000 0.000 0.250 219 V C 2.520 178.661 176.094 0.078 0.000 1.061 219 V CA 1.730 64.061 62.300 0.053 0.000 1.064 219 V CB -1.020 30.835 31.823 0.054 0.000 0.670 219 V HN 0.531 nan 8.190 nan 0.000 0.461 220 A N -0.079 122.813 122.820 0.121 0.000 1.940 220 A HA -0.201 4.119 4.320 -0.000 0.000 0.219 220 A C 2.209 179.939 177.584 0.243 0.000 1.176 220 A CA 2.022 54.189 52.037 0.216 0.000 0.631 220 A CB -0.466 18.667 19.000 0.222 0.000 0.814 220 A HN 0.407 nan 8.150 nan 0.000 0.446 221 M N -0.532 119.139 119.600 0.119 0.000 2.296 221 M HA -0.031 4.449 4.480 -0.000 0.000 0.265 221 M C 2.308 178.558 176.300 -0.083 0.000 1.064 221 M CA 1.242 56.545 55.300 0.005 0.000 1.109 221 M CB -1.389 31.206 32.600 -0.007 0.000 1.396 221 M HN 0.491 nan 8.290 nan 0.000 0.430 222 A N -0.410 122.383 122.820 -0.046 0.000 2.119 222 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 222 A C 1.879 179.405 177.584 -0.098 0.000 1.153 222 A CA 1.821 53.795 52.037 -0.105 0.000 0.692 222 A CB -0.744 18.197 19.000 -0.097 0.000 0.799 222 A HN 0.495 nan 8.150 nan 0.000 0.458 223 D N -0.617 119.787 120.400 0.007 0.000 2.137 223 D HA -0.072 4.568 4.640 -0.000 0.000 0.202 223 D C 1.819 178.054 176.300 -0.108 0.000 0.970 223 D CA 0.765 54.828 54.000 0.106 0.000 0.837 223 D CB -0.097 40.942 40.800 0.399 0.000 0.981 223 D HN 0.329 nan 8.370 nan 0.000 0.475 224 L N 0.222 121.167 121.223 -0.464 0.000 1.994 224 L HA -0.157 4.183 4.340 -0.000 0.000 0.208 224 L C 1.928 178.501 176.870 -0.496 0.000 1.071 224 L CA 2.009 56.309 54.840 -0.899 0.000 0.745 224 L CB -0.460 40.871 42.059 -1.213 0.000 0.892 224 L HN 0.141 nan 8.230 nan 0.000 0.431 225 D N -0.681 119.508 120.400 -0.352 0.000 2.133 225 D HA -0.215 4.425 4.640 -0.000 0.000 0.192 225 D C 2.003 178.100 176.300 -0.339 0.000 1.001 225 D CA 1.695 55.536 54.000 -0.265 0.000 0.844 225 D CB -0.154 40.523 40.800 -0.205 0.000 0.944 225 D HN 0.418 nan 8.370 nan 0.000 0.447 226 G N -1.070 107.552 108.800 -0.295 0.000 2.422 226 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 226 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 226 G C 1.786 176.505 174.900 -0.302 0.000 1.140 226 G CA 0.878 45.826 45.100 -0.254 0.000 0.775 226 G HN 0.266 nan 8.290 nan 0.000 0.545 227 S N 0.373 115.881 115.700 -0.320 0.000 2.368 227 S HA -0.028 4.442 4.470 -0.000 0.000 0.224 227 S C 2.413 176.799 174.600 -0.356 0.000 1.029 227 S CA 1.212 59.204 58.200 -0.347 0.000 0.988 227 S CB -0.207 62.793 63.200 -0.334 0.000 0.838 227 S HN 0.365 nan 8.310 nan 0.000 0.462 228 M N 0.992 120.354 119.600 -0.395 0.000 2.064 228 M HA -0.020 4.460 4.480 -0.000 0.000 0.260 228 M C 2.316 178.202 176.300 -0.689 0.000 1.073 228 M CA 1.225 56.300 55.300 -0.375 0.000 1.124 228 M CB -0.727 31.739 32.600 -0.225 0.000 1.326 228 M HN 0.283 nan 8.290 nan 0.000 0.410 229 L N 0.756 121.325 121.223 -1.090 0.000 2.034 229 L HA -0.281 4.059 4.340 -0.000 0.000 0.217 229 L C 2.552 178.920 176.870 -0.837 0.000 1.077 229 L CA 2.072 55.940 54.840 -1.619 0.000 0.769 229 L CB -0.445 40.945 42.059 -1.115 0.000 0.890 229 L HN 0.311 nan 8.230 nan 0.000 0.435 230 A N -1.089 121.406 122.820 -0.543 0.000 1.930 230 A HA -0.145 4.174 4.320 -0.000 0.000 0.217 230 A C 2.180 179.591 177.584 -0.288 0.000 1.175 230 A CA 2.017 53.808 52.037 -0.409 0.000 0.627 230 A CB -0.907 17.782 19.000 -0.519 0.000 0.815 230 A HN 0.570 nan 8.150 nan 0.000 0.443 231 T N -0.150 114.252 114.554 -0.254 0.000 2.732 231 T HA -0.087 4.263 4.350 -0.000 0.000 0.261 231 T C 1.856 176.519 174.700 -0.061 0.000 1.040 231 T CA 1.306 63.338 62.100 -0.114 0.000 1.145 231 T CB -0.225 68.593 68.868 -0.084 0.000 0.866 231 T HN 0.457 nan 8.240 nan 0.000 0.427 232 E N 1.489 121.632 120.200 -0.094 0.000 2.021 232 E HA -0.099 4.250 4.350 -0.000 0.000 0.200 232 E C 2.364 178.990 176.600 0.042 0.000 1.015 232 E CA 1.063 57.479 56.400 0.027 0.000 0.824 232 E CB -0.711 29.087 29.700 0.164 0.000 0.762 232 E HN 0.435 nan 8.360 nan 0.000 0.454 233 L N 1.006 122.222 121.223 -0.013 0.000 2.127 233 L HA -0.169 4.171 4.340 -0.000 0.000 0.211 233 L C 2.598 179.482 176.870 0.023 0.000 1.089 233 L CA 0.813 55.663 54.840 0.017 0.000 0.757 233 L CB -0.394 41.654 42.059 -0.018 0.000 0.899 233 L HN 0.032 nan 8.230 nan 0.000 0.434 234 S N -0.392 115.336 115.700 0.047 0.000 2.368 234 S HA -0.177 4.293 4.470 -0.000 0.000 0.225 234 S C 1.553 176.279 174.600 0.210 0.000 1.030 234 S CA 1.253 59.564 58.200 0.185 0.000 0.999 234 S CB -0.196 63.115 63.200 0.185 0.000 0.844 234 S HN 0.437 nan 8.310 nan 0.000 0.459 235 D N 1.606 122.083 120.400 0.128 0.000 2.123 235 D HA -0.048 4.592 4.640 -0.000 0.000 0.196 235 D C 2.107 178.454 176.300 0.078 0.000 0.992 235 D CA 1.223 55.292 54.000 0.114 0.000 0.833 235 D CB -0.434 40.414 40.800 0.080 0.000 0.954 235 D HN 0.374 nan 8.370 nan 0.000 0.455 236 A N 0.473 123.320 122.820 0.045 0.000 1.902 236 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 236 A C 2.401 179.945 177.584 -0.067 0.000 1.181 236 A CA 0.985 53.026 52.037 0.008 0.000 0.623 236 A CB -0.739 18.267 19.000 0.010 0.000 0.818 236 A HN 0.230 nan 8.150 nan 0.000 0.443 237 L N -2.657 118.464 121.223 -0.170 0.000 2.156 237 L HA -0.017 4.323 4.340 -0.000 0.000 0.208 237 L C 1.484 177.938 176.870 -0.693 0.000 1.095 237 L CA 1.013 55.552 54.840 -0.502 0.000 0.770 237 L CB -0.121 41.446 42.059 -0.820 0.000 0.914 237 L HN 0.488 nan 8.230 nan 0.000 0.439 238 F N -1.144 118.870 119.950 0.107 0.000 2.798 238 F HA 0.450 4.977 4.527 -0.000 0.000 0.328 238 F C 0.844 176.691 175.800 0.078 0.000 1.098 238 F CA -0.030 58.046 58.000 0.126 0.000 1.172 238 F CB 0.756 39.855 39.000 0.166 0.000 1.072 238 F HN -0.073 nan 8.300 nan 0.000 0.555 239 G N 1.615 110.513 108.800 0.163 0.000 3.355 239 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.686 239 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.686 239 G C -0.388 174.556 174.900 0.073 0.000 1.097 239 G CA -0.649 44.502 45.100 0.084 0.000 0.881 239 G HN 0.235 nan 8.290 nan 0.000 0.550 240 T N 3.893 118.474 114.554 0.046 0.000 2.853 240 T HA 0.540 4.889 4.350 -0.000 0.000 0.298 240 T C -0.980 173.719 174.700 -0.000 0.000 0.978 240 T CA -0.336 61.785 62.100 0.036 0.000 1.152 240 T CB 0.724 69.611 68.868 0.031 0.000 0.914 240 T HN 0.607 nan 8.240 nan 0.000 0.539 241 P HA 0.180 nan 4.420 nan 0.000 0.268 241 P C -1.171 176.079 177.300 -0.084 0.000 1.205 241 P CA -0.220 62.853 63.100 -0.047 0.000 0.771 241 P CB 0.616 32.299 31.700 -0.029 0.000 0.858 242 Q N 2.623 122.349 119.800 -0.125 0.000 2.433 242 Q HA 0.642 4.981 4.340 -0.000 0.000 0.279 242 Q C -2.869 172.982 176.000 -0.248 0.000 1.105 242 Q CA -2.926 52.769 55.803 -0.179 0.000 0.815 242 Q CB -0.776 27.882 28.738 -0.133 0.000 1.403 242 Q HN 0.209 nan 8.270 nan 0.000 0.435 243 P HA -0.027 nan 4.420 nan 0.000 0.259 243 P C -1.092 176.098 177.300 -0.184 0.000 1.155 243 P CA 0.308 63.144 63.100 -0.440 0.000 0.759 243 P CB 0.355 31.773 31.700 -0.469 0.000 0.753 244 V N 4.534 124.391 119.914 -0.095 0.000 3.087 244 V HA 0.400 4.520 4.120 -0.000 0.000 0.306 244 V C -0.872 175.246 176.094 0.040 0.000 1.187 244 V CA -0.844 61.441 62.300 -0.023 0.000 0.999 244 V CB 2.681 34.487 31.823 -0.027 0.000 1.049 244 V HN 0.098 nan 8.190 nan 0.000 0.431 245 V N 4.162 124.103 119.914 0.045 0.000 2.617 245 V HA 0.862 4.982 4.120 -0.000 0.000 0.298 245 V C 0.314 176.446 176.094 0.063 0.000 1.048 245 V CA 0.499 62.839 62.300 0.067 0.000 0.964 245 V CB 1.619 33.477 31.823 0.057 0.000 1.004 245 V HN 1.100 nan 8.190 nan 0.000 0.466 246 S N 1.655 117.402 115.700 0.077 0.000 2.800 246 S HA 0.909 5.379 4.470 -0.000 0.000 0.293 246 S C -1.074 173.572 174.600 0.076 0.000 1.209 246 S CA 0.183 58.426 58.200 0.071 0.000 0.884 246 S CB 1.722 64.969 63.200 0.077 0.000 1.244 246 S HN 1.248 nan 8.310 nan 0.000 0.540 247 A N 0.094 122.957 122.820 0.072 0.000 2.479 247 A HA 1.011 5.331 4.320 -0.000 0.000 0.296 247 A C -0.578 177.054 177.584 0.080 0.000 1.121 247 A CA -0.129 51.952 52.037 0.073 0.000 0.743 247 A CB 1.267 20.302 19.000 0.060 0.000 1.323 247 A HN 1.622 nan 8.150 nan 0.000 0.415 248 A N 0.647 123.518 122.820 0.084 0.000 2.532 248 A HA 0.873 5.193 4.320 -0.000 0.000 0.290 248 A C -0.250 177.381 177.584 0.079 0.000 1.143 248 A CA -0.357 51.730 52.037 0.083 0.000 0.728 248 A CB 0.872 19.932 19.000 0.100 0.000 1.317 248 A HN 1.847 nan 8.150 nan 0.000 0.414 249 N N -1.756 116.982 118.700 0.063 0.000 5.488 249 N HA -0.144 4.596 4.740 -0.000 0.000 0.373 249 N C 0.680 176.222 175.510 0.053 0.000 1.258 249 N CA 0.842 53.925 53.050 0.054 0.000 2.561 249 N CB -0.608 37.929 38.487 0.083 0.000 0.565 249 N HN 0.734 nan 8.380 nan 0.000 0.714 250 L N 0.696 121.940 121.223 0.035 0.000 2.197 250 L HA -0.167 4.173 4.340 -0.000 0.000 0.215 250 L C 2.291 179.201 176.870 0.066 0.000 1.095 250 L CA 1.912 56.773 54.840 0.035 0.000 0.764 250 L CB -0.637 41.427 42.059 0.010 0.000 0.897 250 L HN 0.767 nan 8.230 nan 0.000 0.436 251 G N -0.065 108.800 108.800 0.109 0.000 2.653 251 G HA2 -0.079 3.881 3.960 -0.000 0.000 0.212 251 G HA3 -0.079 3.881 3.960 -0.000 0.000 0.212 251 G C 1.418 176.360 174.900 0.070 0.000 1.138 251 G CA 0.758 45.921 45.100 0.105 0.000 0.782 251 G HN 0.419 nan 8.290 nan 0.000 0.535 252 V N -2.528 117.421 119.914 0.057 0.000 3.461 252 V HA 0.321 4.441 4.120 -0.000 0.000 0.267 252 V C 1.216 177.330 176.094 0.033 0.000 1.186 252 V CA 0.174 62.499 62.300 0.042 0.000 1.154 252 V CB -0.700 31.144 31.823 0.034 0.000 0.802 252 V HN 0.262 nan 8.190 nan 0.000 0.474 253 M N 1.455 121.079 119.600 0.039 0.000 2.216 253 M HA 0.429 4.909 4.480 -0.000 0.000 0.356 253 M C -0.168 176.163 176.300 0.051 0.000 1.205 253 M CA 0.240 55.564 55.300 0.040 0.000 1.122 253 M CB 1.265 33.890 32.600 0.041 0.000 1.571 253 M HN 0.168 nan 8.290 nan 0.000 0.464 254 K N 0.938 121.370 120.400 0.054 0.000 2.208 254 K HA 0.417 4.736 4.320 -0.000 0.000 0.247 254 K C 0.365 177.019 176.600 0.090 0.000 0.953 254 K CA -0.950 55.373 56.287 0.059 0.000 0.837 254 K CB 1.828 34.353 32.500 0.042 0.000 1.131 254 K HN 0.364 nan 8.250 nan 0.000 0.431 255 R N 1.078 121.632 120.500 0.090 0.000 2.153 255 R HA 0.017 4.357 4.340 -0.000 0.000 0.218 255 R C 1.339 177.737 176.300 0.164 0.000 1.072 255 R CA 1.492 57.661 56.100 0.116 0.000 0.990 255 R CB -0.437 29.911 30.300 0.080 0.000 0.889 255 R HN 0.872 nan 8.270 nan 0.000 0.452 256 G N -1.342 107.530 108.800 0.119 0.000 3.042 256 G HA2 0.384 4.344 3.960 -0.000 0.000 0.212 256 G HA3 0.384 4.344 3.960 -0.000 0.000 0.212 256 G C -0.139 174.788 174.900 0.044 0.000 1.166 256 G CA 0.289 45.459 45.100 0.116 0.000 0.767 256 G HN 0.425 nan 8.290 nan 0.000 0.546 257 A N -0.371 122.467 122.820 0.030 0.000 2.354 257 A HA 0.705 5.025 4.320 -0.000 0.000 0.321 257 A C -0.625 176.880 177.584 -0.132 0.000 1.125 257 A CA -0.471 51.505 52.037 -0.102 0.000 0.799 257 A CB 1.759 20.728 19.000 -0.053 0.000 1.293 257 A HN 0.189 nan 8.150 nan 0.000 0.452 258 V N 2.899 122.631 119.914 -0.304 0.000 2.427 258 V HA 0.145 4.265 4.120 -0.000 0.000 0.268 258 V C -0.281 175.796 176.094 -0.029 0.000 1.046 258 V CA -0.577 61.603 62.300 -0.199 0.000 0.970 258 V CB 0.311 31.972 31.823 -0.270 0.000 1.001 258 V HN 0.741 nan 8.190 nan 0.000 0.476 259 N N 5.942 124.684 118.700 0.070 0.000 2.426 259 N HA 0.535 5.275 4.740 -0.000 0.000 0.257 259 N C -0.719 174.799 175.510 0.013 0.000 1.002 259 N CA -0.183 52.889 53.050 0.037 0.000 0.942 259 N CB 2.034 40.556 38.487 0.059 0.000 1.112 259 N HN 0.549 nan 8.380 nan 0.000 0.499 260 I N 1.410 121.968 120.570 -0.020 0.000 2.439 260 I HA 0.393 4.563 4.170 -0.000 0.000 0.285 260 I C -0.116 175.968 176.117 -0.055 0.000 1.021 260 I CA -0.899 60.378 61.300 -0.038 0.000 1.091 260 I CB 1.701 39.674 38.000 -0.045 0.000 1.242 260 I HN 0.339 nan 8.210 nan 0.000 0.439 261 A N 6.442 129.224 122.820 -0.064 0.000 2.301 261 A HA 0.766 5.085 4.320 -0.000 0.000 0.312 261 A C -0.297 177.234 177.584 -0.088 0.000 1.182 261 A CA -0.537 51.455 52.037 -0.075 0.000 0.826 261 A CB 1.113 20.067 19.000 -0.076 0.000 1.134 261 A HN 0.584 nan 8.150 nan 0.000 0.501 262 V N 0.981 120.834 119.914 -0.101 0.000 2.417 262 V HA 0.743 4.863 4.120 -0.000 0.000 0.291 262 V C -0.583 175.441 176.094 -0.117 0.000 1.024 262 V CA -0.814 61.416 62.300 -0.117 0.000 0.861 262 V CB 1.155 32.895 31.823 -0.138 0.000 0.985 262 V HN 0.848 nan 8.190 nan 0.000 0.436 263 N N 2.876 121.515 118.700 -0.102 0.000 2.249 263 N HA 0.884 5.624 4.740 -0.000 0.000 0.296 263 N C -0.107 175.367 175.510 -0.060 0.000 1.051 263 N CA 0.709 53.706 53.050 -0.088 0.000 0.815 263 N CB 2.326 40.775 38.487 -0.063 0.000 1.487 263 N HN 1.328 nan 8.380 nan 0.000 0.475 264 G N 1.503 110.268 108.800 -0.059 0.000 2.439 264 G HA2 -0.000 3.960 3.960 -0.000 0.000 0.186 264 G HA3 -0.000 3.960 3.960 -0.000 0.000 0.186 264 G C -0.663 174.218 174.900 -0.030 0.000 1.260 264 G CA -0.276 44.855 45.100 0.052 0.000 1.020 264 G HN 0.595 nan 8.290 nan 0.000 0.470 265 H N -0.399 118.591 119.070 -0.133 0.000 3.580 265 H HA 0.293 4.848 4.556 -0.000 0.000 0.245 265 H C 0.648 175.737 175.328 -0.399 0.000 1.015 265 H CA 0.229 56.149 56.048 -0.213 0.000 1.113 265 H CB 0.468 30.096 29.762 -0.225 0.000 1.469 265 H HN 0.332 nan 8.280 nan 0.000 0.554 266 N N 3.924 122.489 118.700 -0.225 0.000 2.401 266 N HA 0.043 4.783 4.740 -0.000 0.000 0.255 266 N C -1.675 173.766 175.510 -0.114 0.000 1.110 266 N CA -1.636 51.305 53.050 -0.180 0.000 0.949 266 N CB 1.210 39.679 38.487 -0.030 0.000 1.110 266 N HN 0.064 nan 8.380 nan 0.000 0.490 267 P HA -0.140 nan 4.420 nan 0.000 0.226 267 P C 1.297 178.394 177.300 -0.339 0.000 1.153 267 P CA 0.930 63.876 63.100 -0.258 0.000 0.777 267 P CB 0.235 31.749 31.700 -0.309 0.000 0.794 268 M N -1.291 118.276 119.600 -0.056 0.000 2.260 268 M HA -0.166 4.314 4.480 -0.000 0.000 0.261 268 M C 1.905 178.327 176.300 0.203 0.000 1.066 268 M CA 1.472 56.909 55.300 0.227 0.000 1.082 268 M CB -0.410 32.339 32.600 0.249 0.000 1.388 268 M HN 0.009 nan 8.290 nan 0.000 0.419 269 L N -0.664 120.458 121.223 -0.168 0.000 2.185 269 L HA 0.004 4.344 4.340 -0.000 0.000 0.198 269 L C 2.538 179.224 176.870 -0.307 0.000 1.079 269 L CA 2.017 56.536 54.840 -0.535 0.000 0.780 269 L CB -1.111 40.407 42.059 -0.902 0.000 0.955 269 L HN 0.293 nan 8.230 nan 0.000 0.462 270 S N -1.070 114.463 115.700 -0.278 0.000 2.372 270 S HA -0.307 4.163 4.470 -0.000 0.000 0.227 270 S C 1.959 176.426 174.600 -0.223 0.000 1.044 270 S CA 1.635 59.696 58.200 -0.233 0.000 1.050 270 S CB -1.212 61.855 63.200 -0.221 0.000 0.901 270 S HN 0.647 nan 8.310 nan 0.000 0.447 271 D N 1.327 121.564 120.400 -0.272 0.000 2.104 271 D HA -0.118 4.522 4.640 -0.000 0.000 0.194 271 D C 1.990 178.226 176.300 -0.107 0.000 0.994 271 D CA 1.507 55.347 54.000 -0.267 0.000 0.830 271 D CB -0.125 40.409 40.800 -0.443 0.000 0.959 271 D HN 0.351 nan 8.370 nan 0.000 0.452 272 I N 1.421 121.989 120.570 -0.003 0.000 2.286 272 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 272 I C 2.608 178.713 176.117 -0.020 0.000 1.115 272 I CA 0.609 61.931 61.300 0.037 0.000 1.392 272 I CB -0.972 37.108 38.000 0.133 0.000 1.065 272 I HN 0.148 nan 8.210 nan 0.000 0.418 273 I N 0.181 120.710 120.570 -0.068 0.000 2.226 273 I HA -0.334 3.836 4.170 -0.000 0.000 0.245 273 I C 2.701 178.766 176.117 -0.086 0.000 1.100 273 I CA 1.109 62.363 61.300 -0.078 0.000 1.374 273 I CB -0.343 37.589 38.000 -0.114 0.000 1.057 273 I HN 0.246 nan 8.210 nan 0.000 0.413 274 C N 0.528 119.752 119.300 -0.125 0.000 2.413 274 C HA -0.181 4.279 4.460 -0.000 0.000 0.277 274 C C 2.429 177.364 174.990 -0.091 0.000 1.265 274 C CA 0.712 59.647 59.018 -0.138 0.000 1.752 274 C CB -1.033 26.557 27.740 -0.251 0.000 1.998 274 C HN 0.532 nan 8.230 nan 0.000 0.489 275 D N 0.636 120.995 120.400 -0.068 0.000 2.075 275 D HA -0.093 4.547 4.640 -0.000 0.000 0.196 275 D C 2.198 178.485 176.300 -0.022 0.000 0.985 275 D CA 1.315 55.299 54.000 -0.027 0.000 0.834 275 D CB -0.513 40.285 40.800 -0.003 0.000 0.987 275 D HN 0.267 nan 8.370 nan 0.000 0.452 276 V N 1.989 121.891 119.914 -0.021 0.000 2.453 276 V HA -0.269 3.851 4.120 -0.000 0.000 0.252 276 V C 2.545 178.625 176.094 -0.024 0.000 1.068 276 V CA 1.741 64.032 62.300 -0.016 0.000 1.070 276 V CB -0.897 30.922 31.823 -0.007 0.000 0.664 276 V HN 0.167 nan 8.190 nan 0.000 0.461 277 A N 0.312 123.111 122.820 -0.036 0.000 1.865 277 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 277 A C 2.497 180.059 177.584 -0.037 0.000 1.191 277 A CA 2.300 54.312 52.037 -0.042 0.000 0.623 277 A CB -0.968 17.999 19.000 -0.055 0.000 0.826 277 A HN 0.596 nan 8.150 nan 0.000 0.444 278 A N -0.168 122.633 122.820 -0.031 0.000 1.908 278 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 278 A C 1.805 179.377 177.584 -0.019 0.000 1.181 278 A CA 2.132 54.156 52.037 -0.023 0.000 0.627 278 A CB -0.781 18.212 19.000 -0.012 0.000 0.818 278 A HN 0.495 nan 8.150 nan 0.000 0.445 279 D N 0.122 120.512 120.400 -0.016 0.000 2.182 279 D HA -0.161 4.479 4.640 -0.000 0.000 0.193 279 D C 1.487 177.777 176.300 -0.017 0.000 0.999 279 D CA 1.423 55.415 54.000 -0.013 0.000 0.850 279 D CB -0.571 40.223 40.800 -0.010 0.000 0.994 279 D HN 0.396 nan 8.370 nan 0.000 0.450 280 L N 1.108 122.319 121.223 -0.021 0.000 2.834 280 L HA -0.013 4.327 4.340 -0.000 0.000 0.252 280 L C 2.165 179.013 176.870 -0.036 0.000 1.152 280 L CA 0.048 54.873 54.840 -0.024 0.000 0.898 280 L CB -0.348 41.697 42.059 -0.024 0.000 1.078 280 L HN 0.039 nan 8.230 nan 0.000 0.439 281 R N 1.032 121.511 120.500 -0.035 0.000 2.136 281 R HA -0.264 4.076 4.340 -0.000 0.000 0.242 281 R C 1.522 177.794 176.300 -0.048 0.000 1.131 281 R CA 2.752 58.825 56.100 -0.045 0.000 0.937 281 R CB -0.277 30.003 30.300 -0.034 0.000 0.863 281 R HN 0.465 nan 8.270 nan 0.000 0.435 282 D N 0.118 120.498 120.400 -0.032 0.000 2.108 282 D HA -0.204 4.436 4.640 -0.000 0.000 0.190 282 D C 1.777 178.059 176.300 -0.030 0.000 0.995 282 D CA 1.687 55.671 54.000 -0.027 0.000 0.834 282 D CB -0.410 40.381 40.800 -0.016 0.000 0.967 282 D HN 0.306 nan 8.370 nan 0.000 0.446 283 E N 0.064 120.249 120.200 -0.025 0.000 2.236 283 E HA -0.259 4.091 4.350 -0.000 0.000 0.205 283 E C 1.849 178.428 176.600 -0.035 0.000 1.028 283 E CA 1.483 57.871 56.400 -0.020 0.000 0.827 283 E CB -0.326 29.364 29.700 -0.016 0.000 0.735 283 E HN 0.393 nan 8.360 nan 0.000 0.470 284 A N -0.016 122.764 122.820 -0.066 0.000 1.850 284 A HA -0.040 4.280 4.320 -0.000 0.000 0.212 284 A C 2.202 179.710 177.584 -0.127 0.000 1.208 284 A CA 0.946 52.907 52.037 -0.126 0.000 0.609 284 A CB -0.503 18.396 19.000 -0.168 0.000 0.860 284 A HN 0.197 nan 8.150 nan 0.000 0.448 285 I N 0.303 120.818 120.570 -0.092 0.000 2.185 285 I HA -0.369 3.801 4.170 -0.000 0.000 0.246 285 I C 2.965 179.068 176.117 -0.023 0.000 1.088 285 I CA 1.217 62.480 61.300 -0.060 0.000 1.347 285 I CB -0.436 37.542 38.000 -0.037 0.000 1.041 285 I HN 0.389 nan 8.210 nan 0.000 0.415 286 A N 0.961 123.772 122.820 -0.014 0.000 1.851 286 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 286 A C 2.474 180.078 177.584 0.033 0.000 1.195 286 A CA 1.985 54.027 52.037 0.009 0.000 0.622 286 A CB -1.020 17.984 19.000 0.007 0.000 0.831 286 A HN 0.449 nan 8.150 nan 0.000 0.444 287 A N -1.877 120.964 122.820 0.035 0.000 2.272 287 A HA 0.313 4.633 4.320 -0.000 0.000 0.213 287 A C 1.802 179.502 177.584 0.193 0.000 1.183 287 A CA 1.594 53.691 52.037 0.100 0.000 0.719 287 A CB -1.188 17.874 19.000 0.104 0.000 0.771 287 A HN 2.143 nan 8.150 nan 0.000 0.484 288 G N -3.099 105.785 108.800 0.140 0.000 2.138 288 G HA2 0.174 4.134 3.960 -0.000 0.000 0.193 288 G HA3 0.174 4.134 3.960 -0.000 0.000 0.193 288 G C 0.193 175.255 174.900 0.271 0.000 0.998 288 G CA 0.027 45.264 45.100 0.228 0.000 0.668 288 G HN 1.624 nan 8.290 nan 0.000 0.516 289 A N 0.326 123.107 122.820 -0.064 0.000 2.621 289 A HA 0.874 5.194 4.320 -0.000 0.000 0.329 289 A C 1.558 179.068 177.584 -0.124 0.000 1.458 289 A CA 0.891 52.721 52.037 -0.345 0.000 1.052 289 A CB 0.244 18.828 19.000 -0.694 0.000 1.142 289 A HN 1.756 nan 8.150 nan 0.000 0.523 290 A N 2.261 125.073 122.820 -0.013 0.000 1.859 290 A HA -0.197 4.122 4.320 -0.000 0.000 0.218 290 A C 1.506 179.075 177.584 -0.026 0.000 1.209 290 A CA 1.920 53.958 52.037 0.001 0.000 0.639 290 A CB -0.467 18.555 19.000 0.037 0.000 0.835 290 A HN 0.760 nan 8.150 nan 0.000 0.450 291 E N -0.582 119.600 120.200 -0.030 0.000 2.463 291 E HA 0.346 4.696 4.350 -0.000 0.000 0.191 291 E C 1.134 177.696 176.600 -0.063 0.000 1.083 291 E CA 0.122 56.503 56.400 -0.033 0.000 0.872 291 E CB -0.289 29.403 29.700 -0.013 0.000 0.966 291 E HN 0.775 nan 8.360 nan 0.000 0.491 292 G N 1.979 110.716 108.800 -0.106 0.000 2.509 292 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.259 292 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.259 292 G C -0.159 174.645 174.900 -0.160 0.000 1.169 292 G CA -0.343 44.681 45.100 -0.127 0.000 0.953 292 G HN 0.205 nan 8.290 nan 0.000 0.563 293 I N 1.733 122.235 120.570 -0.113 0.000 2.321 293 I HA 0.373 4.543 4.170 -0.000 0.000 0.291 293 I C -0.156 175.919 176.117 -0.071 0.000 0.998 293 I CA -0.484 60.754 61.300 -0.104 0.000 1.227 293 I CB 1.653 39.603 38.000 -0.084 0.000 1.368 293 I HN 0.463 nan 8.210 nan 0.000 0.466 294 N N 8.437 127.101 118.700 -0.061 0.000 2.707 294 N HA 0.336 5.076 4.740 -0.000 0.000 0.235 294 N C -0.627 174.862 175.510 -0.035 0.000 1.028 294 N CA -0.592 52.436 53.050 -0.037 0.000 0.906 294 N CB 0.567 39.042 38.487 -0.020 0.000 1.131 294 N HN 0.526 nan 8.380 nan 0.000 0.509 295 I N 1.676 122.219 120.570 -0.045 0.000 2.371 295 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 295 I C -0.015 176.072 176.117 -0.050 0.000 1.028 295 I CA -0.785 60.483 61.300 -0.054 0.000 1.345 295 I CB 0.493 38.450 38.000 -0.071 0.000 1.407 295 I HN 0.321 nan 8.210 nan 0.000 0.501 296 I N 3.133 123.672 120.570 -0.051 0.000 2.603 296 I HA 0.897 5.067 4.170 -0.000 0.000 0.300 296 I C 0.269 176.342 176.117 -0.072 0.000 1.017 296 I CA -0.730 60.541 61.300 -0.049 0.000 1.098 296 I CB 1.803 39.782 38.000 -0.034 0.000 1.279 296 I HN 0.681 nan 8.210 nan 0.000 0.437 297 G N 4.975 113.726 108.800 -0.081 0.000 2.488 297 G HA2 0.770 4.730 3.960 -0.000 0.000 0.318 297 G HA3 0.770 4.730 3.960 -0.000 0.000 0.318 297 G C -0.877 173.942 174.900 -0.136 0.000 1.188 297 G CA -0.816 44.213 45.100 -0.119 0.000 0.944 297 G HN 0.654 nan 8.290 nan 0.000 0.495 298 I N -0.209 120.258 120.570 -0.172 0.000 2.610 298 I HA 0.268 4.438 4.170 -0.000 0.000 0.289 298 I C 0.132 176.111 176.117 -0.230 0.000 1.163 298 I CA -0.364 60.836 61.300 -0.167 0.000 1.044 298 I CB 1.481 39.417 38.000 -0.105 0.000 1.251 298 I HN 0.780 nan 8.210 nan 0.000 0.424 299 C N 2.662 121.794 119.300 -0.281 0.000 0.168 299 C HA -0.285 4.174 4.460 -0.000 0.000 0.017 299 C C 2.337 177.041 174.990 -0.478 0.000 0.171 299 C CA -0.008 58.859 59.018 -0.252 0.000 0.499 299 C CB -1.636 26.045 27.740 -0.098 0.000 3.212 299 C HN 1.034 nan 8.230 nan 0.000 1.118 300 C N -0.121 119.042 119.300 -0.229 0.000 2.388 300 C HA -0.161 4.299 4.460 -0.000 0.000 0.277 300 C C 2.762 177.654 174.990 -0.164 0.000 1.210 300 C CA 2.333 61.279 59.018 -0.120 0.000 1.743 300 C CB -1.688 25.725 27.740 -0.545 0.000 2.047 300 C HN 1.029 nan 8.230 nan 0.000 0.458 301 T N -0.091 114.303 114.554 -0.267 0.000 2.803 301 T HA -0.092 4.258 4.350 -0.000 0.000 0.269 301 T C 1.722 176.318 174.700 -0.172 0.000 1.052 301 T CA 2.053 64.043 62.100 -0.183 0.000 1.136 301 T CB -0.492 68.268 68.868 -0.180 0.000 0.864 301 T HN 0.673 nan 8.240 nan 0.000 0.467 302 G N -0.719 107.937 108.800 -0.241 0.000 2.402 302 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.216 302 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.216 302 G C 1.219 176.007 174.900 -0.186 0.000 1.162 302 G CA 0.803 45.759 45.100 -0.241 0.000 0.777 302 G HN 0.644 nan 8.290 nan 0.000 0.539 303 H N 0.206 119.269 119.070 -0.011 0.000 2.423 303 H HA 0.034 4.590 4.556 -0.000 0.000 0.297 303 H C 2.559 177.870 175.328 -0.028 0.000 1.075 303 H CA 1.063 57.129 56.048 0.030 0.000 1.342 303 H CB 0.310 30.151 29.762 0.131 0.000 1.395 303 H HN 0.230 nan 8.280 nan 0.000 0.530 304 E N 0.600 120.837 120.200 0.061 0.000 2.038 304 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 304 E C 2.518 179.126 176.600 0.014 0.000 1.000 304 E CA 1.655 58.070 56.400 0.025 0.000 0.803 304 E CB -0.386 29.298 29.700 -0.027 0.000 0.750 304 E HN 0.503 nan 8.360 nan 0.000 0.448 305 V N -0.914 118.983 119.914 -0.029 0.000 2.871 305 V HA -0.049 4.071 4.120 -0.000 0.000 0.256 305 V C 2.325 178.450 176.094 0.052 0.000 1.082 305 V CA 1.420 63.715 62.300 -0.008 0.000 1.105 305 V CB -0.548 31.199 31.823 -0.127 0.000 0.713 305 V HN 0.103 nan 8.190 nan 0.000 0.473 306 M N -0.707 118.902 119.600 0.016 0.000 2.288 306 M HA -0.038 4.442 4.480 -0.000 0.000 0.266 306 M C 2.175 178.473 176.300 -0.003 0.000 1.072 306 M CA 1.654 56.967 55.300 0.022 0.000 1.132 306 M CB -0.003 32.619 32.600 0.037 0.000 1.386 306 M HN 0.285 nan 8.290 nan 0.000 0.432 307 M N 0.178 119.753 119.600 -0.041 0.000 2.077 307 M HA -0.128 4.352 4.480 -0.000 0.000 0.261 307 M C 2.160 178.443 176.300 -0.029 0.000 1.070 307 M CA 1.750 57.001 55.300 -0.083 0.000 1.125 307 M CB -1.120 31.427 32.600 -0.088 0.000 1.339 307 M HN 0.316 nan 8.290 nan 0.000 0.409 308 R N -1.090 119.430 120.500 0.034 0.000 2.055 308 R HA -0.044 4.296 4.340 -0.000 0.000 0.228 308 R C 0.450 176.645 176.300 -0.175 0.000 1.143 308 R CA 0.940 57.012 56.100 -0.047 0.000 0.945 308 R CB -0.284 30.041 30.300 0.041 0.000 0.841 308 R HN 0.418 nan 8.270 nan 0.000 0.429 309 H N -2.282 116.780 119.070 -0.013 0.000 2.630 309 H HA 0.282 4.838 4.556 -0.000 0.000 0.343 309 H C 1.178 176.499 175.328 -0.012 0.000 1.232 309 H CA -0.335 55.707 56.048 -0.009 0.000 1.294 309 H CB 0.542 30.300 29.762 -0.007 0.000 1.746 309 H HN 0.142 nan 8.280 nan 0.000 0.593 310 G N -0.125 108.752 108.800 0.128 0.000 2.509 310 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.218 310 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.218 310 G C -0.082 174.852 174.900 0.058 0.000 1.124 310 G CA 0.278 45.420 45.100 0.070 0.000 0.776 310 G HN 0.442 nan 8.290 nan 0.000 0.547 311 V N 3.422 123.368 119.914 0.054 0.000 2.899 311 V HA -0.049 4.071 4.120 -0.000 0.000 0.293 311 V C -1.382 174.721 176.094 0.015 0.000 1.114 311 V CA -0.475 61.832 62.300 0.011 0.000 1.270 311 V CB -0.274 31.532 31.823 -0.028 0.000 0.814 311 V HN 0.276 nan 8.190 nan 0.000 0.457 312 P HA 0.175 nan 4.420 nan 0.000 0.276 312 P C -0.549 176.756 177.300 0.009 0.000 1.230 312 P CA -0.568 62.547 63.100 0.025 0.000 0.776 312 P CB 1.288 33.004 31.700 0.026 0.000 0.888 313 L N 3.485 124.724 121.223 0.027 0.000 2.281 313 L HA 0.392 4.732 4.340 -0.000 0.000 0.285 313 L C 1.365 178.237 176.870 0.003 0.000 1.074 313 L CA -0.009 54.832 54.840 0.002 0.000 0.817 313 L CB 0.422 42.509 42.059 0.047 0.000 1.168 313 L HN 0.510 nan 8.230 nan 0.000 0.434 314 A N 3.443 126.248 122.820 -0.026 0.000 1.872 314 A HA 0.182 4.502 4.320 -0.000 0.000 0.214 314 A C 1.063 178.640 177.584 -0.011 0.000 1.187 314 A CA 1.509 53.536 52.037 -0.017 0.000 0.614 314 A CB -0.246 18.733 19.000 -0.035 0.000 0.826 314 A HN 0.771 nan 8.150 nan 0.000 0.442 315 T N -3.512 111.027 114.554 -0.025 0.000 2.676 315 T HA 0.379 4.729 4.350 -0.000 0.000 0.308 315 T C -1.091 173.604 174.700 -0.009 0.000 1.740 315 T CA -0.100 61.997 62.100 -0.005 0.000 0.982 315 T CB -0.106 68.757 68.868 -0.007 0.000 1.724 315 T HN 0.503 nan 8.240 nan 0.000 0.497 316 N N 0.319 119.038 118.700 0.032 0.000 2.592 316 N HA 0.300 5.040 4.740 -0.000 0.000 0.290 316 N C 0.917 176.474 175.510 0.080 0.000 1.364 316 N CA -0.251 52.843 53.050 0.074 0.000 0.878 316 N CB -0.751 37.809 38.487 0.122 0.000 1.104 316 N HN 0.586 nan 8.380 nan 0.000 0.485 317 Y N -0.022 120.274 120.300 -0.008 0.000 2.090 317 Y HA 0.099 4.649 4.550 -0.000 0.000 0.274 317 Y C 2.059 177.897 175.900 -0.103 0.000 1.110 317 Y CA 1.475 59.549 58.100 -0.043 0.000 1.092 317 Y CB -0.746 37.693 38.460 -0.034 0.000 0.992 317 Y HN 0.320 nan 8.280 nan 0.000 0.479 318 L N -0.003 121.000 121.223 -0.367 0.000 2.127 318 L HA -0.228 4.112 4.340 -0.000 0.000 0.211 318 L C 1.968 178.541 176.870 -0.494 0.000 1.089 318 L CA 1.868 56.322 54.840 -0.642 0.000 0.757 318 L CB -0.737 41.007 42.059 -0.525 0.000 0.899 318 L HN 0.372 nan 8.230 nan 0.000 0.434 319 S N -1.170 114.448 115.700 -0.137 0.000 2.634 319 S HA -0.040 4.430 4.470 -0.000 0.000 0.221 319 S C 1.496 176.062 174.600 -0.057 0.000 0.952 319 S CA -0.198 58.026 58.200 0.040 0.000 0.930 319 S CB -0.063 63.215 63.200 0.130 0.000 0.780 319 S HN 0.556 nan 8.310 nan 0.000 0.498 320 Q N 1.694 121.400 119.800 -0.157 0.000 2.439 320 Q HA -0.111 4.229 4.340 -0.000 0.000 0.211 320 Q C 1.226 177.151 176.000 -0.125 0.000 0.978 320 Q CA 1.412 57.134 55.803 -0.134 0.000 0.897 320 Q CB -0.610 28.036 28.738 -0.154 0.000 0.956 320 Q HN 0.716 nan 8.270 nan 0.000 0.483 321 E N 0.716 120.840 120.200 -0.128 0.000 2.190 321 E HA -0.024 4.326 4.350 -0.000 0.000 0.191 321 E C 1.809 178.353 176.600 -0.093 0.000 0.978 321 E CA 0.063 56.396 56.400 -0.112 0.000 0.839 321 E CB 0.086 29.720 29.700 -0.110 0.000 0.787 321 E HN 0.188 nan 8.360 nan 0.000 0.473 322 L N 1.180 122.376 121.223 -0.045 0.000 2.129 322 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 322 L C -0.531 176.292 176.870 -0.080 0.000 1.087 322 L CA 1.734 56.550 54.840 -0.039 0.000 0.757 322 L CB -2.183 39.875 42.059 -0.001 0.000 0.896 322 L HN 0.080 nan 8.230 nan 0.000 0.434 323 P HA -0.126 nan 4.420 nan 0.000 0.218 323 P C 2.118 179.321 177.300 -0.162 0.000 1.148 323 P CA 1.135 64.177 63.100 -0.096 0.000 0.822 323 P CB 0.111 31.759 31.700 -0.085 0.000 0.784 324 I N -1.290 119.136 120.570 -0.240 0.000 2.252 324 I HA -0.212 3.958 4.170 -0.000 0.000 0.245 324 I C 2.129 177.811 176.117 -0.726 0.000 1.102 324 I CA 1.257 62.285 61.300 -0.453 0.000 1.385 324 I CB -0.807 36.916 38.000 -0.462 0.000 1.064 324 I HN -0.102 nan 8.210 nan 0.000 0.414 325 L N 0.080 121.043 121.223 -0.433 0.000 2.187 325 L HA -0.202 4.138 4.340 -0.000 0.000 0.213 325 L C 2.542 179.393 176.870 -0.030 0.000 1.100 325 L CA 1.255 55.976 54.840 -0.199 0.000 0.765 325 L CB -1.324 40.736 42.059 0.002 0.000 0.904 325 L HN 0.258 nan 8.230 nan 0.000 0.437 326 T N -0.047 114.464 114.554 -0.071 0.000 2.822 326 T HA -0.152 4.198 4.350 -0.000 0.000 0.270 326 T C 1.503 176.267 174.700 0.106 0.000 1.064 326 T CA 1.481 63.596 62.100 0.024 0.000 1.131 326 T CB -0.415 68.455 68.868 0.003 0.000 0.858 326 T HN 0.736 nan 8.240 nan 0.000 0.483 327 G N 0.232 109.087 108.800 0.091 0.000 2.155 327 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.257 327 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.257 327 G C 0.507 175.582 174.900 0.293 0.000 0.983 327 G CA 0.259 45.573 45.100 0.358 0.000 0.676 327 G HN 0.907 nan 8.290 nan 0.000 0.528 328 A N -0.965 121.967 122.820 0.187 0.000 2.610 328 A HA 0.713 5.033 4.320 -0.000 0.000 0.291 328 A C 0.265 177.960 177.584 0.185 0.000 1.116 328 A CA 0.288 52.442 52.037 0.195 0.000 0.963 328 A CB 0.410 19.488 19.000 0.129 0.000 1.220 328 A HN 1.131 nan 8.150 nan 0.000 0.530 329 L N 0.464 121.753 121.223 0.110 0.000 2.272 329 L HA 0.541 4.881 4.340 -0.000 0.000 0.284 329 L C 0.781 177.598 176.870 -0.089 0.000 1.045 329 L CA -0.103 54.733 54.840 -0.007 0.000 0.842 329 L CB 0.851 42.843 42.059 -0.111 0.000 1.224 329 L HN 0.238 nan 8.230 nan 0.000 0.430 330 E N 3.335 123.567 120.200 0.054 0.000 2.051 330 E HA 0.146 4.496 4.350 -0.000 0.000 0.192 330 E C 0.188 176.739 176.600 -0.081 0.000 0.991 330 E CA 1.466 57.894 56.400 0.046 0.000 0.799 330 E CB 0.004 29.813 29.700 0.182 0.000 0.748 330 E HN 0.695 nan 8.360 nan 0.000 0.449 331 A N -0.629 122.156 122.820 -0.059 0.000 2.612 331 A HA 0.669 4.989 4.320 -0.000 0.000 0.293 331 A C -1.415 176.125 177.584 -0.073 0.000 1.075 331 A CA -0.658 51.336 52.037 -0.071 0.000 0.680 331 A CB 1.300 20.276 19.000 -0.039 0.000 1.279 331 A HN 0.093 nan 8.150 nan 0.000 0.411 332 M N 2.368 121.922 119.600 -0.077 0.000 2.093 332 M HA 0.540 5.020 4.480 -0.000 0.000 0.297 332 M C -1.824 174.435 176.300 -0.068 0.000 0.938 332 M CA -0.555 54.699 55.300 -0.076 0.000 0.920 332 M CB 1.243 33.794 32.600 -0.082 0.000 1.517 332 M HN 0.445 nan 8.290 nan 0.000 0.427 333 V N 6.020 125.887 119.914 -0.078 0.000 2.383 333 V HA 0.485 4.605 4.120 -0.000 0.000 0.275 333 V C -0.147 175.894 176.094 -0.089 0.000 1.036 333 V CA -0.710 61.538 62.300 -0.087 0.000 0.889 333 V CB 0.899 32.656 31.823 -0.110 0.000 0.985 333 V HN 0.672 nan 8.190 nan 0.000 0.459 334 V N 1.927 121.801 119.914 -0.068 0.000 2.628 334 V HA 0.715 4.835 4.120 -0.000 0.000 0.306 334 V C 0.149 176.217 176.094 -0.043 0.000 1.045 334 V CA -0.470 61.801 62.300 -0.048 0.000 0.905 334 V CB 1.944 33.758 31.823 -0.016 0.000 0.997 334 V HN 0.775 nan 8.190 nan 0.000 0.436 335 D N 3.584 123.961 120.400 -0.037 0.000 2.999 335 D HA 0.211 4.851 4.640 -0.000 0.000 0.273 335 D C 0.182 176.503 176.300 0.035 0.000 1.485 335 D CA 0.374 54.360 54.000 -0.022 0.000 1.101 335 D CB 0.923 41.682 40.800 -0.068 0.000 1.109 335 D HN 0.494 nan 8.370 nan 0.000 0.368 336 V N 1.693 121.634 119.914 0.045 0.000 2.841 336 V HA 0.283 4.403 4.120 -0.000 0.000 0.310 336 V C -1.067 175.055 176.094 0.047 0.000 1.090 336 V CA -0.905 61.428 62.300 0.054 0.000 0.930 336 V CB 1.618 33.476 31.823 0.058 0.000 1.014 336 V HN 0.622 nan 8.190 nan 0.000 0.425 337 Q N 3.068 122.871 119.800 0.005 0.000 3.241 337 Q HA -0.263 4.077 4.340 -0.000 0.000 0.026 337 Q C 0.182 176.217 176.000 0.059 0.000 1.714 337 Q CA 0.391 56.167 55.803 -0.046 0.000 0.238 337 Q CB -1.596 27.003 28.738 -0.231 0.000 0.587 337 Q HN 1.425 nan 8.270 nan 0.000 0.322 338 C N 1.104 120.436 119.300 0.054 0.000 4.549 338 C HA -0.169 4.291 4.460 -0.000 0.000 0.290 338 C C 0.378 175.510 174.990 0.237 0.000 1.328 338 C CA 0.771 59.882 59.018 0.154 0.000 2.002 338 C CB -2.340 25.526 27.740 0.210 0.000 1.238 338 C HN 0.565 nan 8.230 nan 0.000 0.780 339 I N 0.636 121.292 120.570 0.144 0.000 2.354 339 I HA 0.308 4.478 4.170 -0.000 0.000 0.286 339 I C 0.535 176.692 176.117 0.066 0.000 1.007 339 I CA -0.245 61.108 61.300 0.089 0.000 1.167 339 I CB 0.891 38.924 38.000 0.054 0.000 1.320 339 I HN 0.213 nan 8.210 nan 0.000 0.458 340 M N 7.768 127.382 119.600 0.024 0.000 2.252 340 M HA 0.103 4.583 4.480 -0.000 0.000 0.348 340 M C -1.496 174.796 176.300 -0.014 0.000 1.334 340 M CA -1.013 54.278 55.300 -0.015 0.000 1.071 340 M CB 0.249 32.779 32.600 -0.118 0.000 1.763 340 M HN 0.260 nan 8.290 nan 0.000 0.452 341 P HA -0.070 nan 4.420 nan 0.000 0.234 341 P C 0.943 178.238 177.300 -0.008 0.000 1.167 341 P CA 0.799 63.900 63.100 0.001 0.000 0.763 341 P CB 0.025 31.729 31.700 0.007 0.000 0.835 342 S N -1.202 114.484 115.700 -0.024 0.000 2.461 342 S HA -0.049 4.421 4.470 -0.000 0.000 0.228 342 S C 1.848 176.432 174.600 -0.027 0.000 1.005 342 S CA 0.389 58.574 58.200 -0.026 0.000 0.942 342 S CB -1.201 61.973 63.200 -0.044 0.000 0.776 342 S HN -0.074 nan 8.310 nan 0.000 0.514 343 L N 2.362 123.562 121.223 -0.038 0.000 2.010 343 L HA -0.071 4.269 4.340 -0.000 0.000 0.219 343 L C -0.315 176.540 176.870 -0.024 0.000 1.077 343 L CA 2.256 57.070 54.840 -0.044 0.000 0.773 343 L CB -2.811 39.219 42.059 -0.048 0.000 0.892 343 L HN 0.253 nan 8.230 nan 0.000 0.436 344 P HA -0.186 nan 4.420 nan 0.000 0.214 344 P C 1.758 179.068 177.300 0.017 0.000 1.169 344 P CA 1.608 64.711 63.100 0.005 0.000 0.908 344 P CB -0.138 31.569 31.700 0.012 0.000 0.791 345 R N -0.881 119.630 120.500 0.019 0.000 2.103 345 R HA -0.153 4.187 4.340 -0.000 0.000 0.234 345 R C 2.247 178.580 176.300 0.054 0.000 1.132 345 R CA 1.622 57.743 56.100 0.034 0.000 0.925 345 R CB -1.660 28.657 30.300 0.028 0.000 0.842 345 R HN 0.150 nan 8.270 nan 0.000 0.430 346 I N 1.380 121.974 120.570 0.040 0.000 2.185 346 I HA -0.312 3.857 4.170 -0.000 0.000 0.246 346 I C 2.556 178.736 176.117 0.105 0.000 1.088 346 I CA 1.857 63.194 61.300 0.062 0.000 1.347 346 I CB -0.629 37.367 38.000 -0.007 0.000 1.041 346 I HN 0.263 nan 8.210 nan 0.000 0.415 347 A N -0.131 122.714 122.820 0.041 0.000 2.014 347 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 347 A C 2.348 180.020 177.584 0.146 0.000 1.163 347 A CA 1.586 53.651 52.037 0.046 0.000 0.652 347 A CB -1.059 17.923 19.000 -0.031 0.000 0.808 347 A HN 0.454 nan 8.150 nan 0.000 0.449 348 E N -0.969 119.300 120.200 0.114 0.000 2.331 348 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 348 E C 1.651 178.330 176.600 0.131 0.000 1.008 348 E CA 1.512 57.972 56.400 0.101 0.000 0.843 348 E CB -1.558 28.181 29.700 0.066 0.000 0.761 348 E HN 0.744 nan 8.360 nan 0.000 0.507 349 C N -0.676 118.753 119.300 0.215 0.000 2.562 349 C HA 0.416 4.876 4.460 -0.000 0.000 0.266 349 C C 0.786 175.780 174.990 0.006 0.000 1.382 349 C CA -0.436 58.656 59.018 0.123 0.000 1.742 349 C CB -1.405 26.424 27.740 0.148 0.000 1.812 349 C HN 0.566 nan 8.230 nan 0.000 0.559 350 F N -0.458 119.524 119.950 0.053 0.000 3.145 350 F HA 0.320 4.847 4.527 -0.000 0.000 0.324 350 F C 1.710 177.596 175.800 0.144 0.000 1.467 350 F CA -0.537 57.537 58.000 0.123 0.000 1.048 350 F CB -0.337 38.756 39.000 0.156 0.000 1.698 350 F HN -0.005 nan 8.300 nan 0.000 0.427 351 H N -1.883 117.339 119.070 0.254 0.000 2.750 351 H HA 0.249 4.805 4.556 -0.000 0.000 0.263 351 H C -0.015 175.372 175.328 0.098 0.000 0.964 351 H CA 0.485 56.607 56.048 0.123 0.000 1.205 351 H CB -1.440 28.373 29.762 0.085 0.000 1.454 351 H HN 0.256 nan 8.280 nan 0.000 0.503 352 T N 3.623 117.868 114.554 -0.515 0.000 2.903 352 T HA -0.029 4.321 4.350 -0.000 0.000 0.299 352 T C 0.304 174.908 174.700 -0.161 0.000 1.041 352 T CA 0.399 62.249 62.100 -0.416 0.000 1.138 352 T CB 0.730 69.396 68.868 -0.337 0.000 1.040 352 T HN 0.315 nan 8.240 nan 0.000 0.524 353 Q N 1.963 121.689 119.800 -0.124 0.000 2.293 353 Q HA 0.395 4.735 4.340 -0.000 0.000 0.261 353 Q C -0.465 175.503 176.000 -0.054 0.000 0.960 353 Q CA -0.670 55.100 55.803 -0.055 0.000 0.882 353 Q CB 1.855 30.576 28.738 -0.029 0.000 1.275 353 Q HN 0.485 nan 8.270 nan 0.000 0.445 354 I N 4.577 125.128 120.570 -0.031 0.000 2.307 354 I HA 0.330 4.500 4.170 -0.000 0.000 0.287 354 I C 0.119 176.231 176.117 -0.008 0.000 1.054 354 I CA -0.423 60.861 61.300 -0.027 0.000 1.218 354 I CB 0.284 38.272 38.000 -0.019 0.000 1.398 354 I HN 0.468 nan 8.210 nan 0.000 0.475 355 I N 6.365 126.923 120.570 -0.021 0.000 2.307 355 I HA 0.170 4.340 4.170 -0.000 0.000 0.289 355 I C 0.821 176.925 176.117 -0.022 0.000 1.021 355 I CA -0.369 60.920 61.300 -0.020 0.000 1.224 355 I CB 1.242 39.219 38.000 -0.038 0.000 1.376 355 I HN 0.508 nan 8.210 nan 0.000 0.470 356 T N 0.728 115.293 114.554 0.018 0.000 2.899 356 T HA 0.393 4.743 4.350 -0.000 0.000 0.284 356 T C 0.826 175.476 174.700 -0.083 0.000 1.004 356 T CA -0.213 61.920 62.100 0.055 0.000 1.043 356 T CB 1.758 70.758 68.868 0.220 0.000 1.013 356 T HN 0.725 nan 8.240 nan 0.000 0.518 357 T N -3.195 111.330 114.554 -0.049 0.000 2.993 357 T HA 0.220 4.570 4.350 -0.000 0.000 0.260 357 T C 0.093 174.814 174.700 0.035 0.000 0.939 357 T CA -0.262 61.759 62.100 -0.131 0.000 0.886 357 T CB 0.155 68.970 68.868 -0.088 0.000 1.209 357 T HN 0.685 nan 8.240 nan 0.000 0.518 358 D N 1.224 121.722 120.400 0.164 0.000 2.175 358 D HA 0.315 4.955 4.640 -0.000 0.000 0.248 358 D C 0.663 177.116 176.300 0.255 0.000 1.047 358 D CA -0.393 53.713 54.000 0.177 0.000 0.883 358 D CB 1.951 42.828 40.800 0.129 0.000 1.180 358 D HN 0.052 nan 8.370 nan 0.000 0.438 359 K N 1.326 121.821 120.400 0.158 0.000 2.147 359 K HA -0.152 4.168 4.320 -0.000 0.000 0.205 359 K C 0.615 177.362 176.600 0.245 0.000 1.049 359 K CA 0.942 57.314 56.287 0.141 0.000 0.936 359 K CB 0.017 32.541 32.500 0.041 0.000 0.722 359 K HN 0.431 nan 8.250 nan 0.000 0.446 360 H N -0.316 118.803 119.070 0.083 0.000 2.605 360 H HA 0.194 4.750 4.556 -0.000 0.000 0.308 360 H C -0.277 175.085 175.328 0.056 0.000 1.080 360 H CA -0.156 55.928 56.048 0.059 0.000 1.119 360 H CB -0.187 29.618 29.762 0.071 0.000 1.479 360 H HN 0.082 nan 8.280 nan 0.000 0.537 361 N N 1.120 119.926 118.700 0.176 0.000 2.679 361 N HA 0.022 4.762 4.740 -0.000 0.000 0.240 361 N C -1.032 174.544 175.510 0.110 0.000 1.537 361 N CA -0.102 53.023 53.050 0.125 0.000 0.793 361 N CB 0.595 39.157 38.487 0.126 0.000 1.391 361 N HN 0.169 nan 8.380 nan 0.000 0.524 362 K N 1.115 121.548 120.400 0.055 0.000 2.138 362 K HA 0.553 4.873 4.320 -0.000 0.000 0.263 362 K C -0.174 176.441 176.600 0.025 0.000 0.965 362 K CA -0.421 55.878 56.287 0.021 0.000 0.868 362 K CB 2.093 34.536 32.500 -0.095 0.000 1.083 362 K HN 0.217 nan 8.250 nan 0.000 0.443 363 I N 1.506 122.099 120.570 0.037 0.000 2.436 363 I HA 0.119 4.289 4.170 -0.000 0.000 0.289 363 I C -0.159 175.972 176.117 0.022 0.000 1.010 363 I CA -0.732 60.584 61.300 0.027 0.000 1.098 363 I CB 2.064 40.082 38.000 0.031 0.000 1.266 363 I HN 0.476 nan 8.210 nan 0.000 0.434 364 S N 4.383 120.091 115.700 0.013 0.000 2.546 364 S HA 0.310 4.780 4.470 -0.000 0.000 0.290 364 S C 1.050 175.660 174.600 0.017 0.000 1.262 364 S CA 0.846 59.053 58.200 0.012 0.000 1.083 364 S CB 0.541 63.745 63.200 0.008 0.000 0.859 364 S HN 1.134 nan 8.310 nan 0.000 0.495 365 G N 2.256 111.069 108.800 0.022 0.000 2.376 365 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.208 365 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.208 365 G C 0.266 175.183 174.900 0.030 0.000 1.032 365 G CA -0.163 44.952 45.100 0.024 0.000 0.641 365 G HN 1.142 nan 8.290 nan 0.000 0.503 366 A N 0.770 123.610 122.820 0.034 0.000 2.386 366 A HA 0.633 4.953 4.320 -0.000 0.000 0.246 366 A C 0.881 178.501 177.584 0.060 0.000 1.089 366 A CA 1.390 53.452 52.037 0.041 0.000 0.790 366 A CB 0.062 19.091 19.000 0.049 0.000 1.042 366 A HN 1.738 nan 8.150 nan 0.000 0.497 367 T N -0.567 114.021 114.554 0.058 0.000 2.749 367 T HA 0.469 4.819 4.350 -0.000 0.000 0.287 367 T C -0.401 174.359 174.700 0.100 0.000 0.970 367 T CA -0.303 61.840 62.100 0.072 0.000 0.980 367 T CB 0.533 69.428 68.868 0.045 0.000 0.924 367 T HN 0.652 nan 8.240 nan 0.000 0.456 368 H N 2.138 121.221 119.070 0.023 0.000 2.580 368 H HA 0.540 5.095 4.556 -0.000 0.000 0.322 368 H C -0.820 174.529 175.328 0.035 0.000 1.082 368 H CA -0.367 55.699 56.048 0.029 0.000 1.383 368 H CB 0.723 30.504 29.762 0.033 0.000 1.450 368 H HN 0.526 nan 8.280 nan 0.000 0.505 369 V N 8.493 128.195 119.914 -0.353 0.000 2.380 369 V HA 0.219 4.339 4.120 -0.000 0.000 0.272 369 V C -2.263 173.673 176.094 -0.263 0.000 1.011 369 V CA -1.685 60.500 62.300 -0.191 0.000 0.826 369 V CB 0.984 32.759 31.823 -0.079 0.000 1.040 369 V HN 0.844 nan 8.190 nan 0.000 0.441 370 P HA -0.057 nan 4.420 nan 0.000 0.258 370 P C -0.611 176.715 177.300 0.045 0.000 1.172 370 P CA 0.310 63.371 63.100 -0.066 0.000 0.762 370 P CB 0.065 31.800 31.700 0.058 0.000 0.764 371 F N 4.711 124.613 119.950 -0.081 0.000 2.368 371 F HA 0.197 4.723 4.527 -0.000 0.000 0.362 371 F C 0.222 176.022 175.800 -0.000 0.000 1.137 371 F CA -0.749 57.229 58.000 -0.037 0.000 1.161 371 F CB 0.106 39.081 39.000 -0.041 0.000 1.265 371 F HN 0.172 nan 8.300 nan 0.000 0.530 372 D N 5.230 125.394 120.400 -0.394 0.000 2.359 372 D HA 0.077 4.717 4.640 -0.000 0.000 0.230 372 D C 0.666 176.621 176.300 -0.576 0.000 1.118 372 D CA -0.086 53.713 54.000 -0.336 0.000 0.844 372 D CB 1.204 41.934 40.800 -0.118 0.000 1.059 372 D HN 0.617 nan 8.370 nan 0.000 0.493 373 E N 1.899 121.763 120.200 -0.560 0.000 2.130 373 E HA -0.210 4.140 4.350 -0.000 0.000 0.196 373 E C 1.264 177.778 176.600 -0.144 0.000 0.998 373 E CA 1.391 57.558 56.400 -0.388 0.000 0.806 373 E CB -0.262 29.323 29.700 -0.192 0.000 0.738 373 E HN 0.638 nan 8.360 nan 0.000 0.459 374 H N -0.059 118.977 119.070 -0.057 0.000 2.543 374 H HA 0.046 4.602 4.556 -0.000 0.000 0.286 374 H C 0.363 175.660 175.328 -0.051 0.000 1.037 374 H CA 1.001 57.046 56.048 -0.005 0.000 1.250 374 H CB 0.195 29.942 29.762 -0.026 0.000 1.373 374 H HN -0.034 nan 8.280 nan 0.000 0.580 375 K N -0.493 119.890 120.400 -0.028 0.000 3.012 375 K HA 0.338 4.658 4.320 -0.000 0.000 0.207 375 K C 0.878 177.414 176.600 -0.106 0.000 1.130 375 K CA 0.153 56.407 56.287 -0.055 0.000 1.021 375 K CB 1.306 33.779 32.500 -0.045 0.000 0.736 375 K HN 0.118 nan 8.250 nan 0.000 0.448 376 A N 0.737 123.475 122.820 -0.137 0.000 1.848 376 A HA -0.188 4.132 4.320 -0.000 0.000 0.217 376 A C 2.047 179.692 177.584 0.102 0.000 1.220 376 A CA 2.012 54.024 52.037 -0.043 0.000 0.645 376 A CB -0.802 18.225 19.000 0.044 0.000 0.842 376 A HN 0.111 nan 8.150 nan 0.000 0.451 377 V N 0.246 120.177 119.914 0.028 0.000 2.370 377 V HA -0.341 3.779 4.120 -0.000 0.000 0.252 377 V C 2.429 178.543 176.094 0.033 0.000 1.068 377 V CA 2.559 64.875 62.300 0.027 0.000 1.061 377 V CB -1.100 30.716 31.823 -0.012 0.000 0.656 377 V HN 0.656 nan 8.190 nan 0.000 0.455 378 E N -0.254 119.957 120.200 0.017 0.000 2.072 378 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 378 E C 2.327 178.948 176.600 0.036 0.000 0.985 378 E CA 1.773 58.181 56.400 0.014 0.000 0.801 378 E CB -0.272 29.426 29.700 -0.004 0.000 0.750 378 E HN 0.605 nan 8.360 nan 0.000 0.452 379 T N 0.809 115.401 114.554 0.063 0.000 2.857 379 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 379 T C 1.977 176.753 174.700 0.127 0.000 1.048 379 T CA 0.938 63.102 62.100 0.106 0.000 1.139 379 T CB -0.168 68.805 68.868 0.174 0.000 0.874 379 T HN 0.225 nan 8.240 nan 0.000 0.455 380 A N 2.201 125.113 122.820 0.153 0.000 1.873 380 A HA -0.201 4.119 4.320 -0.000 0.000 0.218 380 A C 2.246 179.854 177.584 0.039 0.000 1.193 380 A CA 1.818 53.909 52.037 0.091 0.000 0.629 380 A CB -0.530 18.520 19.000 0.083 0.000 0.826 380 A HN 0.460 nan 8.150 nan 0.000 0.447 381 K N -1.002 119.418 120.400 0.034 0.000 2.063 381 K HA -0.127 4.193 4.320 -0.000 0.000 0.208 381 K C 2.140 178.750 176.600 0.016 0.000 1.048 381 K CA 1.832 58.129 56.287 0.016 0.000 0.928 381 K CB -0.484 32.024 32.500 0.013 0.000 0.713 381 K HN 0.529 nan 8.250 nan 0.000 0.442 382 T N 1.686 116.254 114.554 0.024 0.000 2.708 382 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 382 T C 1.929 176.639 174.700 0.016 0.000 1.037 382 T CA 1.280 63.392 62.100 0.021 0.000 1.146 382 T CB -0.217 68.666 68.868 0.024 0.000 0.865 382 T HN 0.140 nan 8.240 nan 0.000 0.435 383 I N 0.640 121.219 120.570 0.015 0.000 2.142 383 I HA -0.129 4.041 4.170 -0.000 0.000 0.240 383 I C 2.305 178.420 176.117 -0.004 0.000 1.078 383 I CA 1.382 62.682 61.300 0.000 0.000 1.343 383 I CB -0.451 37.542 38.000 -0.012 0.000 1.046 383 I HN 0.201 nan 8.210 nan 0.000 0.405 384 I N 0.228 120.794 120.570 -0.006 0.000 2.286 384 I HA -0.277 3.893 4.170 -0.000 0.000 0.248 384 I C 2.681 178.797 176.117 -0.001 0.000 1.115 384 I CA 1.114 62.407 61.300 -0.012 0.000 1.392 384 I CB -0.368 37.620 38.000 -0.019 0.000 1.065 384 I HN 0.169 nan 8.210 nan 0.000 0.418 385 R N 0.645 121.149 120.500 0.007 0.000 2.081 385 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 385 R C 2.245 178.562 176.300 0.028 0.000 1.131 385 R CA 1.530 57.639 56.100 0.016 0.000 0.960 385 R CB -0.532 29.778 30.300 0.016 0.000 0.856 385 R HN 0.288 nan 8.270 nan 0.000 0.436 386 M N -0.655 118.959 119.600 0.024 0.000 2.202 386 M HA -0.168 4.312 4.480 -0.000 0.000 0.262 386 M C 2.121 178.448 176.300 0.045 0.000 1.063 386 M CA 1.904 57.223 55.300 0.031 0.000 1.097 386 M CB -0.261 32.351 32.600 0.019 0.000 1.382 386 M HN 0.245 nan 8.290 nan 0.000 0.413 387 A N 0.575 123.418 122.820 0.038 0.000 1.874 387 A HA -0.040 4.280 4.320 -0.000 0.000 0.214 387 A C 1.982 179.628 177.584 0.104 0.000 1.189 387 A CA 1.040 53.111 52.037 0.057 0.000 0.615 387 A CB -0.751 18.263 19.000 0.023 0.000 0.830 387 A HN 0.448 nan 8.150 nan 0.000 0.443 388 I N 0.025 120.634 120.570 0.065 0.000 2.657 388 I HA -0.273 3.897 4.170 -0.000 0.000 0.261 388 I C 2.639 178.850 176.117 0.156 0.000 1.212 388 I CA 0.843 62.188 61.300 0.074 0.000 1.453 388 I CB -0.258 37.752 38.000 0.016 0.000 1.092 388 I HN 0.389 nan 8.210 nan 0.000 0.452 389 A N 0.752 123.648 122.820 0.128 0.000 1.871 389 A HA 0.142 4.462 4.320 -0.000 0.000 0.211 389 A C 2.548 180.225 177.584 0.155 0.000 1.207 389 A CA 0.959 53.069 52.037 0.123 0.000 0.620 389 A CB -0.781 18.267 19.000 0.081 0.000 0.860 389 A HN 0.331 nan 8.150 nan 0.000 0.450 390 A N -1.133 121.782 122.820 0.159 0.000 2.131 390 A HA -0.090 4.230 4.320 -0.000 0.000 0.220 390 A C 1.899 179.658 177.584 0.292 0.000 1.158 390 A CA 1.599 53.755 52.037 0.199 0.000 0.665 390 A CB -0.790 18.303 19.000 0.156 0.000 0.795 390 A HN 0.682 nan 8.150 nan 0.000 0.460 391 F N 1.058 121.083 119.950 0.124 0.000 2.102 391 F HA -0.020 4.507 4.527 -0.000 0.000 0.298 391 F C 2.152 177.980 175.800 0.047 0.000 1.105 391 F CA 1.644 59.704 58.000 0.101 0.000 1.239 391 F CB -0.736 38.300 39.000 0.060 0.000 0.991 391 F HN 0.185 nan 8.300 nan 0.000 0.474 392 G N -0.517 108.278 108.800 -0.008 0.000 2.776 392 G HA2 -0.155 3.805 3.960 -0.000 0.000 0.209 392 G HA3 -0.155 3.805 3.960 -0.000 0.000 0.209 392 G C 1.570 176.393 174.900 -0.129 0.000 1.145 392 G CA 0.208 45.227 45.100 -0.135 0.000 0.791 392 G HN 0.386 nan 8.290 nan 0.000 0.530 393 R N -0.318 120.129 120.500 -0.089 0.000 2.437 393 R HA 0.216 4.556 4.340 -0.000 0.000 0.257 393 R C 1.085 177.277 176.300 -0.181 0.000 0.927 393 R CA -0.617 55.450 56.100 -0.056 0.000 1.078 393 R CB 0.135 30.471 30.300 0.060 0.000 1.161 393 R HN 0.231 nan 8.270 nan 0.000 0.529 394 R N 0.947 121.206 120.500 -0.401 0.000 2.491 394 R HA -0.014 4.326 4.340 -0.000 0.000 0.283 394 R C -0.747 175.272 176.300 -0.468 0.000 1.072 394 R CA -0.082 55.529 56.100 -0.815 0.000 1.048 394 R CB 0.572 30.441 30.300 -0.719 0.000 0.983 394 R HN -0.081 nan 8.270 nan 0.000 0.450 395 D N 5.769 125.937 120.400 -0.386 0.000 2.338 395 D HA 0.063 4.703 4.640 -0.000 0.000 0.255 395 D C -1.481 174.726 176.300 -0.155 0.000 1.237 395 D CA -2.036 51.848 54.000 -0.193 0.000 0.883 395 D CB 1.524 42.251 40.800 -0.122 0.000 1.087 395 D HN 0.487 nan 8.370 nan 0.000 0.485 396 P HA -0.068 nan 4.420 nan 0.000 0.223 396 P C 0.412 177.681 177.300 -0.052 0.000 1.151 396 P CA 0.572 63.613 63.100 -0.098 0.000 0.787 396 P CB 0.550 32.192 31.700 -0.096 0.000 0.788 397 N N -0.156 118.513 118.700 -0.050 0.000 2.336 397 N HA 0.079 4.819 4.740 -0.000 0.000 0.189 397 N C 1.386 176.886 175.510 -0.018 0.000 1.113 397 N CA 0.185 53.217 53.050 -0.030 0.000 0.858 397 N CB 0.225 38.692 38.487 -0.035 0.000 0.970 397 N HN 0.302 nan 8.380 nan 0.000 0.471 398 R N -0.019 120.475 120.500 -0.011 0.000 2.404 398 R HA 0.229 4.569 4.340 -0.000 0.000 0.237 398 R C 0.230 176.583 176.300 0.087 0.000 0.907 398 R CA -0.127 55.987 56.100 0.023 0.000 1.063 398 R CB 0.863 31.157 30.300 -0.009 0.000 1.134 398 R HN -0.099 nan 8.270 nan 0.000 0.529 399 V N 1.569 121.520 119.914 0.063 0.000 3.032 399 V HA 0.219 4.339 4.120 -0.000 0.000 0.307 399 V C 0.382 176.524 176.094 0.081 0.000 1.097 399 V CA 0.389 62.738 62.300 0.083 0.000 1.191 399 V CB 1.256 33.109 31.823 0.050 0.000 0.964 399 V HN 0.356 nan 8.190 nan 0.000 0.494 400 A N 5.653 128.526 122.820 0.088 0.000 2.480 400 A HA 0.535 4.855 4.320 -0.000 0.000 0.302 400 A C -1.007 176.624 177.584 0.078 0.000 1.151 400 A CA -0.501 51.584 52.037 0.079 0.000 0.907 400 A CB 0.141 19.191 19.000 0.084 0.000 1.487 400 A HN 0.626 nan 8.150 nan 0.000 0.396 401 I N 2.880 123.496 120.570 0.077 0.000 2.328 401 I HA 0.334 4.504 4.170 -0.000 0.000 0.287 401 I C -2.101 174.082 176.117 0.110 0.000 1.012 401 I CA -1.932 59.417 61.300 0.082 0.000 1.195 401 I CB 1.477 39.522 38.000 0.074 0.000 1.350 401 I HN 0.355 nan 8.210 nan 0.000 0.464 402 P HA -0.005 nan 4.420 nan 0.000 0.266 402 P C 0.613 178.075 177.300 0.271 0.000 1.193 402 P CA 0.028 63.302 63.100 0.290 0.000 0.770 402 P CB 0.889 32.785 31.700 0.327 0.000 0.836 403 A N 2.653 125.585 122.820 0.186 0.000 2.014 403 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 403 A C 0.671 178.271 177.584 0.028 0.000 1.163 403 A CA 0.230 52.278 52.037 0.018 0.000 0.652 403 A CB -1.144 17.782 19.000 -0.124 0.000 0.808 403 A HN 0.586 nan 8.150 nan 0.000 0.449 404 F N 0.627 120.587 119.950 0.016 0.000 2.417 404 F HA -0.022 4.505 4.527 -0.000 0.000 0.412 404 F C 0.960 176.773 175.800 0.022 0.000 0.964 404 F CA 1.027 59.038 58.000 0.018 0.000 1.081 404 F CB 0.019 39.028 39.000 0.015 0.000 0.909 404 F HN 0.160 nan 8.300 nan 0.000 0.522 405 K N 3.515 123.999 120.400 0.140 0.000 2.895 405 K HA 0.149 4.469 4.320 -0.000 0.000 0.191 405 K C -0.686 175.966 176.600 0.088 0.000 1.117 405 K CA -0.785 55.565 56.287 0.105 0.000 0.988 405 K CB 0.515 33.056 32.500 0.069 0.000 1.181 405 K HN 0.484 nan 8.250 nan 0.000 0.598 406 Q N 2.717 122.582 119.800 0.108 0.000 2.311 406 Q HA 0.098 4.438 4.340 -0.000 0.000 0.272 406 Q C -0.958 175.093 176.000 0.086 0.000 1.012 406 Q CA 0.500 56.360 55.803 0.095 0.000 0.891 406 Q CB 0.798 29.601 28.738 0.108 0.000 1.201 406 Q HN 0.190 nan 8.270 nan 0.000 0.391 407 K N 1.424 121.870 120.400 0.077 0.000 2.185 407 K HA 0.539 4.859 4.320 -0.000 0.000 0.271 407 K C -0.921 175.734 176.600 0.090 0.000 1.013 407 K CA -0.077 56.257 56.287 0.077 0.000 0.943 407 K CB 1.234 33.773 32.500 0.065 0.000 0.998 407 K HN 0.665 nan 8.250 nan 0.000 0.468 408 S N 1.429 117.189 115.700 0.101 0.000 2.540 408 S HA 0.525 4.995 4.470 -0.000 0.000 0.275 408 S C -0.726 173.957 174.600 0.139 0.000 1.123 408 S CA -0.795 57.480 58.200 0.124 0.000 0.907 408 S CB 0.978 64.268 63.200 0.150 0.000 1.081 408 S HN 0.389 nan 8.310 nan 0.000 0.476 409 I N 3.188 123.856 120.570 0.163 0.000 2.330 409 I HA 0.426 4.596 4.170 -0.000 0.000 0.286 409 I C 0.011 176.336 176.117 0.346 0.000 1.025 409 I CA -0.565 60.869 61.300 0.224 0.000 1.197 409 I CB 0.758 38.900 38.000 0.236 0.000 1.358 409 I HN 0.513 nan 8.210 nan 0.000 0.467 410 V N 2.053 122.148 119.914 0.301 0.000 3.182 410 V HA 0.964 5.084 4.120 -0.000 0.000 0.311 410 V C 0.658 176.869 176.094 0.194 0.000 1.221 410 V CA -0.299 62.201 62.300 0.334 0.000 1.060 410 V CB 1.267 33.172 31.823 0.137 0.000 1.164 410 V HN 0.885 nan 8.190 nan 0.000 0.466 411 G N -0.378 108.488 108.800 0.111 0.000 2.164 411 G HA2 -0.171 3.788 3.960 -0.000 0.000 0.212 411 G HA3 -0.171 3.788 3.960 -0.000 0.000 0.212 411 G C -0.606 174.198 174.900 -0.160 0.000 1.031 411 G CA 0.084 45.146 45.100 -0.063 0.000 0.730 411 G HN 0.946 nan 8.290 nan 0.000 0.501 412 F N 3.069 123.032 119.950 0.021 0.000 2.509 412 F HA 0.464 4.991 4.527 -0.000 0.000 0.344 412 F C 1.446 177.269 175.800 0.039 0.000 1.197 412 F CA -0.336 57.686 58.000 0.036 0.000 1.294 412 F CB 0.222 39.254 39.000 0.054 0.000 1.643 412 F HN 0.319 nan 8.300 nan 0.000 0.596 413 S N 0.296 116.042 115.700 0.077 0.000 2.589 413 S HA 0.397 4.867 4.470 -0.000 0.000 0.265 413 S C 1.528 176.179 174.600 0.085 0.000 1.342 413 S CA -0.314 57.930 58.200 0.074 0.000 1.005 413 S CB 1.289 64.507 63.200 0.030 0.000 0.909 413 S HN 0.532 nan 8.310 nan 0.000 0.555 414 A N 0.768 123.633 122.820 0.075 0.000 1.978 414 A HA -0.082 4.238 4.320 -0.000 0.000 0.220 414 A C 2.004 179.620 177.584 0.053 0.000 1.170 414 A CA 1.805 53.883 52.037 0.069 0.000 0.636 414 A CB -1.070 17.963 19.000 0.056 0.000 0.810 414 A HN 0.892 nan 8.150 nan 0.000 0.448 415 E N 0.088 120.311 120.200 0.038 0.000 2.017 415 E HA -0.026 4.324 4.350 -0.000 0.000 0.193 415 E C 2.356 178.962 176.600 0.010 0.000 0.997 415 E CA 1.427 57.840 56.400 0.022 0.000 0.804 415 E CB -0.628 29.080 29.700 0.013 0.000 0.757 415 E HN 0.530 nan 8.360 nan 0.000 0.448 416 A N 0.643 123.456 122.820 -0.012 0.000 1.927 416 A HA -0.252 4.067 4.320 -0.000 0.000 0.220 416 A C 2.520 180.106 177.584 0.003 0.000 1.185 416 A CA 1.963 53.965 52.037 -0.058 0.000 0.639 416 A CB -1.036 17.863 19.000 -0.168 0.000 0.820 416 A HN 0.160 nan 8.150 nan 0.000 0.451 417 V N -0.596 119.365 119.914 0.078 0.000 2.343 417 V HA -0.224 3.896 4.120 -0.000 0.000 0.247 417 V C 2.538 178.677 176.094 0.076 0.000 1.051 417 V CA 2.023 64.400 62.300 0.129 0.000 1.036 417 V CB -0.641 31.267 31.823 0.142 0.000 0.654 417 V HN 0.401 nan 8.190 nan 0.000 0.451 418 V N 0.148 120.092 119.914 0.050 0.000 2.548 418 V HA -0.150 3.970 4.120 -0.000 0.000 0.249 418 V C 2.619 178.727 176.094 0.025 0.000 1.055 418 V CA 1.563 63.883 62.300 0.035 0.000 1.065 418 V CB -0.974 30.865 31.823 0.027 0.000 0.681 418 V HN 0.539 nan 8.190 nan 0.000 0.462 419 A N 0.307 123.136 122.820 0.016 0.000 1.902 419 A HA -0.088 4.232 4.320 -0.000 0.000 0.217 419 A C 2.433 180.023 177.584 0.010 0.000 1.181 419 A CA 1.995 54.034 52.037 0.004 0.000 0.623 419 A CB -0.691 18.300 19.000 -0.015 0.000 0.818 419 A HN 0.540 nan 8.150 nan 0.000 0.443 420 A N -0.244 122.590 122.820 0.023 0.000 1.898 420 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 420 A C 2.068 179.675 177.584 0.038 0.000 1.181 420 A CA 1.380 53.440 52.037 0.038 0.000 0.620 420 A CB -0.620 18.427 19.000 0.079 0.000 0.819 420 A HN 0.460 nan 8.150 nan 0.000 0.442 421 L N -0.673 120.574 121.223 0.041 0.000 2.353 421 L HA -0.168 4.172 4.340 -0.000 0.000 0.220 421 L C 2.889 179.773 176.870 0.022 0.000 1.133 421 L CA 0.616 55.475 54.840 0.033 0.000 0.798 421 L CB -0.443 41.636 42.059 0.033 0.000 0.922 421 L HN 0.473 nan 8.230 nan 0.000 0.445 422 A N -0.163 122.668 122.820 0.018 0.000 1.897 422 A HA -0.144 4.176 4.320 -0.000 0.000 0.215 422 A C 1.913 179.504 177.584 0.011 0.000 1.181 422 A CA 1.058 53.102 52.037 0.012 0.000 0.620 422 A CB -0.194 18.811 19.000 0.007 0.000 0.821 422 A HN 0.118 nan 8.150 nan 0.000 0.443 423 K N -0.645 119.762 120.400 0.013 0.000 2.699 423 K HA 0.181 4.501 4.320 -0.000 0.000 0.205 423 K C 0.609 177.217 176.600 0.014 0.000 1.008 423 K CA 0.604 56.898 56.287 0.012 0.000 1.100 423 K CB 0.023 32.531 32.500 0.013 0.000 0.878 423 K HN 0.272 nan 8.250 nan 0.000 0.496 424 V N -1.280 118.643 119.914 0.015 0.000 3.400 424 V HA 0.242 4.362 4.120 -0.000 0.000 0.281 424 V C -1.147 174.954 176.094 0.012 0.000 1.617 424 V CA -0.137 62.172 62.300 0.014 0.000 1.044 424 V CB -0.003 31.831 31.823 0.018 0.000 0.858 424 V HN 0.509 nan 8.190 nan 0.000 0.425 425 N N -0.310 118.396 118.700 0.010 0.000 4.193 425 N HA 0.219 4.959 4.740 -0.000 0.000 0.161 425 N C 0.442 175.956 175.510 0.007 0.000 1.406 425 N CA 0.611 53.666 53.050 0.008 0.000 0.884 425 N CB 0.655 39.148 38.487 0.009 0.000 1.738 425 N HN 0.148 nan 8.380 nan 0.000 0.780 426 A N 1.414 124.238 122.820 0.005 0.000 2.121 426 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 426 A C 1.445 179.030 177.584 0.003 0.000 1.154 426 A CA 1.289 53.328 52.037 0.004 0.000 0.679 426 A CB -0.069 18.932 19.000 0.002 0.000 0.795 426 A HN 0.728 nan 8.150 nan 0.000 0.458 427 D N 0.094 120.496 120.400 0.003 0.000 2.149 427 D HA -0.018 4.622 4.640 -0.000 0.000 0.206 427 D C -0.262 176.040 176.300 0.003 0.000 0.967 427 D CA 0.821 54.822 54.000 0.002 0.000 0.848 427 D CB -0.007 40.794 40.800 0.002 0.000 0.998 427 D HN 0.369 nan 8.370 nan 0.000 0.474 428 D N 0.389 120.792 120.400 0.005 0.000 2.400 428 D HA 0.166 4.806 4.640 -0.000 0.000 0.272 428 D C -1.942 174.363 176.300 0.008 0.000 1.220 428 D CA -1.344 52.660 54.000 0.006 0.000 0.897 428 D CB 2.360 43.163 40.800 0.005 0.000 1.134 428 D HN -0.123 nan 8.370 nan 0.000 0.507 429 P HA -0.121 nan 4.420 nan 0.000 0.218 429 P C 1.526 178.835 177.300 0.015 0.000 1.148 429 P CA 0.523 63.631 63.100 0.013 0.000 0.822 429 P CB 0.512 32.220 31.700 0.014 0.000 0.784 430 L N -0.830 120.401 121.223 0.013 0.000 2.313 430 L HA -0.063 4.277 4.340 -0.000 0.000 0.214 430 L C 2.287 179.164 176.870 0.011 0.000 1.119 430 L CA 1.494 56.341 54.840 0.013 0.000 0.809 430 L CB -1.370 40.696 42.059 0.011 0.000 0.933 430 L HN -0.111 nan 8.230 nan 0.000 0.449 431 K N 1.211 121.616 120.400 0.009 0.000 1.988 431 K HA -0.185 4.135 4.320 -0.000 0.000 0.221 431 K C -0.641 175.965 176.600 0.009 0.000 1.053 431 K CA 2.299 58.590 56.287 0.008 0.000 0.959 431 K CB -1.583 30.921 32.500 0.007 0.000 0.728 431 K HN 0.177 nan 8.250 nan 0.000 0.447 432 P HA -0.222 nan 4.420 nan 0.000 0.216 432 P C 1.653 178.960 177.300 0.012 0.000 1.153 432 P CA 1.327 64.434 63.100 0.012 0.000 0.858 432 P CB -0.215 31.493 31.700 0.014 0.000 0.789 433 L N 0.010 121.241 121.223 0.013 0.000 2.046 433 L HA -0.093 4.246 4.340 -0.000 0.000 0.208 433 L C 2.369 179.244 176.870 0.009 0.000 1.077 433 L CA 1.793 56.640 54.840 0.013 0.000 0.747 433 L CB -1.143 40.925 42.059 0.016 0.000 0.896 433 L HN -0.129 nan 8.230 nan 0.000 0.432 434 V N 0.687 120.605 119.914 0.007 0.000 2.261 434 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 434 V C 2.439 178.535 176.094 0.004 0.000 1.047 434 V CA 2.012 64.315 62.300 0.004 0.000 1.015 434 V CB -0.642 31.184 31.823 0.004 0.000 0.642 434 V HN 0.433 nan 8.190 nan 0.000 0.446 435 D N 0.483 120.886 120.400 0.005 0.000 2.156 435 D HA -0.212 4.428 4.640 -0.000 0.000 0.190 435 D C 1.983 178.287 176.300 0.006 0.000 0.998 435 D CA 1.664 55.667 54.000 0.005 0.000 0.842 435 D CB -0.695 40.108 40.800 0.006 0.000 0.974 435 D HN 0.375 nan 8.370 nan 0.000 0.447 436 N N 0.482 119.187 118.700 0.007 0.000 2.247 436 N HA -0.134 4.606 4.740 -0.000 0.000 0.189 436 N C 1.926 177.440 175.510 0.008 0.000 1.009 436 N CA 0.586 53.641 53.050 0.009 0.000 0.872 436 N CB -0.147 38.346 38.487 0.011 0.000 0.980 436 N HN 0.110 nan 8.380 nan 0.000 0.436 437 V N 0.415 120.332 119.914 0.004 0.000 2.719 437 V HA -0.075 4.045 4.120 -0.000 0.000 0.252 437 V C 2.307 178.399 176.094 -0.002 0.000 1.065 437 V CA 0.726 63.026 62.300 0.000 0.000 1.086 437 V CB -0.015 31.805 31.823 -0.004 0.000 0.700 437 V HN 0.041 nan 8.190 nan 0.000 0.467 438 V N 2.021 121.935 119.914 -0.000 0.000 2.407 438 V HA -0.170 3.950 4.120 -0.000 0.000 0.245 438 V C 2.269 178.364 176.094 0.001 0.000 1.041 438 V CA 2.119 64.418 62.300 -0.001 0.000 1.040 438 V CB -0.913 30.910 31.823 -0.000 0.000 0.671 438 V HN 0.865 nan 8.190 nan 0.000 0.455 439 N N 0.636 119.339 118.700 0.004 0.000 2.300 439 N HA 0.159 4.899 4.740 -0.000 0.000 0.179 439 N C 1.373 176.889 175.510 0.010 0.000 1.016 439 N CA 1.633 54.687 53.050 0.007 0.000 0.876 439 N CB 0.077 38.568 38.487 0.008 0.000 0.979 439 N HN 0.421 nan 8.380 nan 0.000 0.432 440 G N -0.983 107.824 108.800 0.011 0.000 2.367 440 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.181 440 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.181 440 G C 0.797 175.712 174.900 0.026 0.000 1.000 440 G CA 0.132 45.243 45.100 0.018 0.000 0.693 440 G HN 0.224 nan 8.290 nan 0.000 0.480 441 N N 0.310 119.022 118.700 0.021 0.000 2.094 441 N HA -0.061 4.679 4.740 -0.000 0.000 0.191 441 N C 0.858 176.385 175.510 0.028 0.000 1.023 441 N CA 1.285 54.349 53.050 0.023 0.000 0.857 441 N CB 0.120 38.617 38.487 0.017 0.000 1.013 441 N HN 0.497 nan 8.380 nan 0.000 0.426 442 I N 1.783 122.367 120.570 0.023 0.000 2.371 442 I HA 0.084 4.254 4.170 -0.000 0.000 0.282 442 I C 0.972 177.102 176.117 0.022 0.000 1.031 442 I CA -0.402 60.913 61.300 0.024 0.000 1.180 442 I CB 1.786 39.794 38.000 0.013 0.000 1.336 442 I HN -0.123 nan 8.210 nan 0.000 0.467 443 Q N 3.873 123.700 119.800 0.045 0.000 2.084 443 Q HA 0.028 4.368 4.340 -0.000 0.000 0.202 443 Q C 0.948 176.935 176.000 -0.023 0.000 0.978 443 Q CA 0.957 56.776 55.803 0.028 0.000 0.844 443 Q CB 0.286 29.098 28.738 0.124 0.000 0.898 443 Q HN 0.893 nan 8.270 nan 0.000 0.426 444 G N -1.223 107.575 108.800 -0.004 0.000 2.427 444 G HA2 0.509 4.469 3.960 -0.000 0.000 0.306 444 G HA3 0.509 4.469 3.960 -0.000 0.000 0.306 444 G C -1.625 173.261 174.900 -0.023 0.000 1.280 444 G CA -0.836 44.246 45.100 -0.030 0.000 0.837 444 G HN 0.039 nan 8.290 nan 0.000 0.482 445 I N 0.163 120.706 120.570 -0.045 0.000 2.533 445 I HA 0.541 4.711 4.170 -0.000 0.000 0.290 445 I C -0.706 175.349 176.117 -0.102 0.000 1.056 445 I CA -1.154 60.111 61.300 -0.058 0.000 1.057 445 I CB 2.195 40.167 38.000 -0.046 0.000 1.240 445 I HN 0.354 nan 8.210 nan 0.000 0.423 446 V N 7.463 127.285 119.914 -0.153 0.000 2.459 446 V HA 0.480 4.600 4.120 -0.000 0.000 0.295 446 V C -0.795 175.095 176.094 -0.340 0.000 1.029 446 V CA -0.523 61.602 62.300 -0.293 0.000 0.874 446 V CB 2.015 33.577 31.823 -0.436 0.000 0.985 446 V HN 0.542 nan 8.190 nan 0.000 0.438 447 L N 7.395 128.431 121.223 -0.312 0.000 2.276 447 L HA 0.554 4.894 4.340 -0.000 0.000 0.286 447 L C -1.193 175.543 176.870 -0.223 0.000 1.024 447 L CA -0.361 54.364 54.840 -0.192 0.000 0.826 447 L CB 1.108 43.117 42.059 -0.082 0.000 1.211 447 L HN 0.626 nan 8.230 nan 0.000 0.422 448 F N 5.258 125.235 119.950 0.045 0.000 2.404 448 F HA 0.410 4.937 4.527 -0.000 0.000 0.358 448 F C 0.458 176.252 175.800 -0.010 0.000 1.120 448 F CA -0.478 57.566 58.000 0.073 0.000 1.144 448 F CB 1.572 40.690 39.000 0.196 0.000 1.133 448 F HN 0.294 nan 8.300 nan 0.000 0.495 449 V N 1.149 121.170 119.914 0.178 0.000 3.102 449 V HA 1.088 5.208 4.120 -0.000 0.000 0.312 449 V C -0.277 175.877 176.094 0.100 0.000 1.135 449 V CA -0.397 61.944 62.300 0.069 0.000 1.022 449 V CB 1.363 33.196 31.823 0.017 0.000 1.056 449 V HN 1.107 nan 8.190 nan 0.000 0.436 450 G N -0.043 108.798 108.800 0.068 0.000 2.354 450 G HA2 0.251 4.211 3.960 -0.000 0.000 0.582 450 G HA3 0.251 4.211 3.960 -0.000 0.000 0.582 450 G C -0.519 174.456 174.900 0.125 0.000 1.316 450 G CA -0.076 45.095 45.100 0.118 0.000 0.995 450 G HN 1.526 nan 8.290 nan 0.000 0.573 451 C N -0.993 118.374 119.300 0.111 0.000 2.511 451 C HA 0.866 5.326 4.460 -0.000 0.000 0.221 451 C C 0.160 175.230 174.990 0.133 0.000 2.963 451 C CA -0.780 58.276 59.018 0.063 0.000 1.934 451 C CB 0.707 28.387 27.740 -0.100 0.000 2.827 451 C HN 0.766 nan 8.230 nan 0.000 0.360 452 N N 0.578 119.320 118.700 0.070 0.000 2.581 452 N HA 0.323 5.063 4.740 -0.000 0.000 0.279 452 N C -1.044 174.479 175.510 0.022 0.000 1.124 452 N CA 0.150 53.241 53.050 0.069 0.000 0.833 452 N CB 1.589 40.170 38.487 0.157 0.000 1.338 452 N HN 0.657 nan 8.380 nan 0.000 0.533 453 T N -0.466 114.041 114.554 -0.078 0.000 2.922 453 T HA 0.290 4.640 4.350 -0.000 0.000 0.285 453 T C 1.415 176.000 174.700 -0.191 0.000 1.005 453 T CA -0.208 61.823 62.100 -0.116 0.000 1.061 453 T CB 0.655 69.449 68.868 -0.124 0.000 1.007 453 T HN 0.519 nan 8.240 nan 0.000 0.502 454 T N 1.159 115.521 114.554 -0.319 0.000 3.067 454 T HA 0.132 4.482 4.350 -0.000 0.000 0.261 454 T C 1.353 175.689 174.700 -0.605 0.000 1.110 454 T CA 0.417 62.184 62.100 -0.556 0.000 1.113 454 T CB -0.105 68.197 68.868 -0.943 0.000 0.917 454 T HN 0.654 nan 8.240 nan 0.000 0.499 455 K N 0.981 121.153 120.400 -0.380 0.000 2.551 455 K HA 0.301 4.621 4.320 -0.000 0.000 0.192 455 K C -0.395 176.142 176.600 -0.104 0.000 1.027 455 K CA 0.017 56.197 56.287 -0.178 0.000 1.059 455 K CB 0.145 32.609 32.500 -0.060 0.000 0.831 455 K HN 0.250 nan 8.250 nan 0.000 0.508 456 V N 0.980 120.816 119.914 -0.130 0.000 2.969 456 V HA 0.051 4.171 4.120 -0.000 0.000 0.304 456 V C -0.769 175.286 176.094 -0.066 0.000 1.192 456 V CA -1.167 61.079 62.300 -0.091 0.000 0.962 456 V CB 2.160 33.906 31.823 -0.128 0.000 1.045 456 V HN 0.108 nan 8.190 nan 0.000 0.428 457 Q N 3.312 123.091 119.800 -0.034 0.000 2.247 457 Q HA 0.027 4.367 4.340 -0.000 0.000 0.288 457 Q C 0.979 176.979 176.000 0.001 0.000 1.079 457 Q CA 0.123 55.929 55.803 0.006 0.000 0.932 457 Q CB 0.435 29.166 28.738 -0.010 0.000 1.133 457 Q HN 0.619 nan 8.270 nan 0.000 0.377 458 Q N 1.973 121.834 119.800 0.103 0.000 2.473 458 Q HA -0.335 4.005 4.340 -0.000 0.000 0.238 458 Q C 0.001 176.008 176.000 0.010 0.000 1.088 458 Q CA 2.227 58.101 55.803 0.119 0.000 0.989 458 Q CB -0.173 28.662 28.738 0.161 0.000 0.972 458 Q HN 0.753 nan 8.270 nan 0.000 0.543 459 D N -0.847 119.550 120.400 -0.004 0.000 2.696 459 D HA 0.153 4.793 4.640 -0.000 0.000 0.269 459 D C 0.871 177.133 176.300 -0.063 0.000 1.319 459 D CA 0.195 54.183 54.000 -0.019 0.000 0.826 459 D CB 0.375 41.187 40.800 0.021 0.000 1.086 459 D HN 0.155 nan 8.370 nan 0.000 0.481 460 S N 1.027 116.672 115.700 -0.093 0.000 2.349 460 S HA -0.175 4.294 4.470 -0.000 0.000 0.216 460 S C 2.159 176.708 174.600 -0.086 0.000 1.033 460 S CA 1.634 59.790 58.200 -0.073 0.000 1.021 460 S CB 0.094 63.257 63.200 -0.062 0.000 0.968 460 S HN 0.297 nan 8.310 nan 0.000 0.426 461 A N 0.318 123.047 122.820 -0.152 0.000 1.892 461 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 461 A C 1.980 179.523 177.584 -0.069 0.000 1.188 461 A CA 1.921 53.889 52.037 -0.116 0.000 0.631 461 A CB -1.457 17.447 19.000 -0.161 0.000 0.822 461 A HN 0.794 nan 8.150 nan 0.000 0.447 462 Y N -0.365 119.832 120.300 -0.173 0.000 2.040 462 Y HA -0.294 4.256 4.550 -0.000 0.000 0.275 462 Y C 2.652 178.475 175.900 -0.128 0.000 1.171 462 Y CA 1.213 59.098 58.100 -0.358 0.000 1.123 462 Y CB -0.462 37.583 38.460 -0.691 0.000 0.963 462 Y HN 0.156 nan 8.280 nan 0.000 0.493 463 V N 0.147 120.122 119.914 0.102 0.000 2.295 463 V HA -0.290 3.830 4.120 -0.000 0.000 0.246 463 V C 1.675 177.782 176.094 0.021 0.000 1.049 463 V CA 2.095 64.456 62.300 0.102 0.000 1.024 463 V CB -0.535 31.308 31.823 0.033 0.000 0.648 463 V HN 0.453 nan 8.190 nan 0.000 0.447 464 D N -0.252 120.155 120.400 0.012 0.000 2.144 464 D HA -0.094 4.546 4.640 -0.000 0.000 0.200 464 D C 2.131 178.451 176.300 0.033 0.000 0.978 464 D CA 0.978 54.981 54.000 0.006 0.000 0.833 464 D CB -0.051 40.754 40.800 0.008 0.000 0.961 464 D HN 0.332 nan 8.370 nan 0.000 0.470 465 L N 0.663 121.929 121.223 0.071 0.000 2.093 465 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 465 L C 2.399 179.407 176.870 0.230 0.000 1.085 465 L CA 0.890 55.827 54.840 0.162 0.000 0.755 465 L CB -0.126 42.091 42.059 0.263 0.000 0.904 465 L HN -0.049 nan 8.230 nan 0.000 0.435 466 A N 0.020 122.907 122.820 0.111 0.000 1.855 466 A HA -0.226 4.093 4.320 -0.000 0.000 0.215 466 A C 2.248 179.835 177.584 0.005 0.000 1.191 466 A CA 1.698 53.776 52.037 0.069 0.000 0.613 466 A CB -0.373 18.464 19.000 -0.271 0.000 0.829 466 A HN 0.310 nan 8.150 nan 0.000 0.442 467 K N -0.250 120.106 120.400 -0.074 0.000 2.063 467 K HA -0.137 4.183 4.320 -0.000 0.000 0.208 467 K C 2.444 179.041 176.600 -0.006 0.000 1.048 467 K CA 1.372 57.602 56.287 -0.095 0.000 0.928 467 K CB -0.315 32.078 32.500 -0.178 0.000 0.713 467 K HN 0.443 nan 8.250 nan 0.000 0.442 468 S N 1.282 116.990 115.700 0.012 0.000 2.369 468 S HA -0.170 4.300 4.470 -0.000 0.000 0.225 468 S C 1.902 176.494 174.600 -0.014 0.000 1.043 468 S CA 1.392 59.597 58.200 0.007 0.000 1.074 468 S CB -0.236 62.981 63.200 0.028 0.000 0.962 468 S HN 0.228 nan 8.310 nan 0.000 0.433 469 L N 0.773 122.019 121.223 0.037 0.000 2.179 469 L HA 0.113 4.453 4.340 -0.000 0.000 0.208 469 L C 2.860 179.746 176.870 0.027 0.000 1.096 469 L CA 0.863 55.725 54.840 0.036 0.000 0.779 469 L CB -0.594 41.527 42.059 0.103 0.000 0.922 469 L HN 0.408 nan 8.230 nan 0.000 0.443 470 A N 0.108 122.946 122.820 0.030 0.000 2.019 470 A HA -0.224 4.095 4.320 -0.000 0.000 0.219 470 A C 2.286 179.884 177.584 0.024 0.000 1.164 470 A CA 1.686 53.737 52.037 0.024 0.000 0.644 470 A CB -0.280 18.726 19.000 0.009 0.000 0.805 470 A HN 0.192 nan 8.150 nan 0.000 0.449 471 K N -0.116 120.289 120.400 0.009 0.000 2.062 471 K HA -0.002 4.318 4.320 -0.000 0.000 0.205 471 K C 1.553 178.128 176.600 -0.042 0.000 1.051 471 K CA 1.014 57.300 56.287 -0.001 0.000 0.941 471 K CB -0.164 32.331 32.500 -0.008 0.000 0.719 471 K HN 0.218 nan 8.250 nan 0.000 0.440 472 R N 1.552 121.984 120.500 -0.113 0.000 2.346 472 R HA 0.124 4.464 4.340 -0.000 0.000 0.208 472 R C -0.494 175.836 176.300 0.051 0.000 1.052 472 R CA 0.290 56.272 56.100 -0.197 0.000 1.116 472 R CB -0.796 29.050 30.300 -0.757 0.000 1.003 472 R HN 0.301 nan 8.270 nan 0.000 0.482 473 N N -0.785 117.946 118.700 0.050 0.000 2.756 473 N HA -0.156 4.584 4.740 -0.000 0.000 0.248 473 N C -1.346 174.224 175.510 0.100 0.000 1.062 473 N CA 0.861 53.956 53.050 0.076 0.000 0.696 473 N CB -1.269 37.269 38.487 0.084 0.000 0.946 473 N HN -0.021 nan 8.380 nan 0.000 0.548 474 V N 1.187 121.154 119.914 0.088 0.000 2.409 474 V HA 0.381 4.501 4.120 -0.000 0.000 0.291 474 V C 0.813 176.920 176.094 0.021 0.000 1.020 474 V CA -0.845 61.499 62.300 0.073 0.000 0.848 474 V CB 2.139 34.028 31.823 0.109 0.000 0.990 474 V HN 0.283 nan 8.190 nan 0.000 0.430 475 L N 5.963 127.186 121.223 -0.001 0.000 2.416 475 L HA 0.447 4.787 4.340 -0.000 0.000 0.272 475 L C -0.494 176.346 176.870 -0.050 0.000 1.161 475 L CA 0.182 55.006 54.840 -0.026 0.000 0.845 475 L CB 1.082 43.127 42.059 -0.025 0.000 1.119 475 L HN 0.485 nan 8.230 nan 0.000 0.464 476 V N 6.567 126.440 119.914 -0.068 0.000 2.384 476 V HA 0.418 4.538 4.120 -0.000 0.000 0.287 476 V C 0.001 176.044 176.094 -0.085 0.000 1.020 476 V CA -0.510 61.746 62.300 -0.073 0.000 0.850 476 V CB 1.391 33.171 31.823 -0.073 0.000 0.987 476 V HN 0.585 nan 8.190 nan 0.000 0.436 477 L N 4.148 125.343 121.223 -0.046 0.000 2.346 477 L HA 0.990 5.330 4.340 -0.000 0.000 0.274 477 L C -0.019 176.893 176.870 0.069 0.000 1.007 477 L CA -0.590 54.242 54.840 -0.013 0.000 0.818 477 L CB 2.015 44.071 42.059 -0.005 0.000 1.284 477 L HN 0.744 nan 8.230 nan 0.000 0.424 478 A N 1.196 124.061 122.820 0.075 0.000 2.549 478 A HA 0.882 5.202 4.320 -0.000 0.000 0.297 478 A C -0.530 177.050 177.584 -0.007 0.000 1.061 478 A CA -0.405 51.704 52.037 0.120 0.000 0.690 478 A CB 2.092 21.259 19.000 0.279 0.000 1.287 478 A HN 0.708 nan 8.150 nan 0.000 0.402 479 T N -1.534 112.993 114.554 -0.047 0.000 2.742 479 T HA 0.851 5.201 4.350 -0.000 0.000 0.282 479 T C 0.983 175.544 174.700 -0.231 0.000 1.025 479 T CA 0.231 62.275 62.100 -0.093 0.000 1.020 479 T CB 0.779 69.665 68.868 0.030 0.000 1.317 479 T HN 2.600 nan 8.240 nan 0.000 0.538 480 G N -0.245 108.411 108.800 -0.240 0.000 2.602 480 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.306 480 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.306 480 G C 1.220 175.916 174.900 -0.341 0.000 1.301 480 G CA 0.446 45.403 45.100 -0.238 0.000 0.974 480 G HN 1.274 nan 8.290 nan 0.000 0.547 481 C N 1.005 120.276 119.300 -0.048 0.000 2.432 481 C HA 0.269 4.729 4.460 -0.000 0.000 0.280 481 C C 3.479 178.330 174.990 -0.231 0.000 1.353 481 C CA 1.672 60.700 59.018 0.016 0.000 1.766 481 C CB -1.707 26.103 27.740 0.116 0.000 1.924 481 C HN 1.022 nan 8.230 nan 0.000 0.509 482 A N 1.081 123.626 122.820 -0.458 0.000 1.865 482 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 482 A C 2.415 179.405 177.584 -0.991 0.000 1.191 482 A CA 2.219 53.509 52.037 -1.245 0.000 0.623 482 A CB -1.092 17.318 19.000 -0.984 0.000 0.826 482 A HN 0.564 nan 8.150 nan 0.000 0.444 483 A N -0.636 121.846 122.820 -0.562 0.000 1.978 483 A HA 0.099 4.419 4.320 -0.000 0.000 0.220 483 A C 2.386 179.732 177.584 -0.397 0.000 1.170 483 A CA 1.987 53.742 52.037 -0.470 0.000 0.636 483 A CB -1.370 17.143 19.000 -0.812 0.000 0.810 483 A HN 0.782 nan 8.150 nan 0.000 0.448 484 G N -0.451 108.185 108.800 -0.274 0.000 2.418 484 G HA2 -0.003 3.957 3.960 -0.000 0.000 0.217 484 G HA3 -0.003 3.957 3.960 -0.000 0.000 0.217 484 G C 1.756 176.614 174.900 -0.069 0.000 1.158 484 G CA 1.499 46.623 45.100 0.040 0.000 0.771 484 G HN 0.780 nan 8.290 nan 0.000 0.545 485 A N 0.970 123.645 122.820 -0.242 0.000 1.849 485 A HA -0.010 4.310 4.320 -0.000 0.000 0.217 485 A C 2.206 179.673 177.584 -0.195 0.000 1.202 485 A CA 1.669 53.555 52.037 -0.252 0.000 0.629 485 A CB -0.874 17.883 19.000 -0.405 0.000 0.834 485 A HN 0.375 nan 8.150 nan 0.000 0.447 486 F N 0.245 120.103 119.950 -0.154 0.000 2.192 486 F HA -0.227 4.300 4.527 -0.000 0.000 0.301 486 F C 2.806 178.568 175.800 -0.064 0.000 1.079 486 F CA 0.615 58.534 58.000 -0.135 0.000 1.303 486 F CB -0.348 38.534 39.000 -0.197 0.000 1.024 486 F HN 0.318 nan 8.300 nan 0.000 0.494 487 A N 0.771 123.661 122.820 0.118 0.000 1.841 487 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 487 A C 2.132 179.779 177.584 0.106 0.000 1.199 487 A CA 1.971 54.083 52.037 0.125 0.000 0.621 487 A CB -0.728 18.360 19.000 0.147 0.000 0.835 487 A HN 0.316 nan 8.150 nan 0.000 0.445 488 K N -0.169 120.279 120.400 0.080 0.000 2.103 488 K HA -0.050 4.270 4.320 -0.000 0.000 0.207 488 K C 2.185 178.834 176.600 0.082 0.000 1.048 488 K CA 1.211 57.544 56.287 0.075 0.000 0.930 488 K CB -0.362 32.167 32.500 0.048 0.000 0.716 488 K HN 0.454 nan 8.250 nan 0.000 0.444 489 A N 0.342 123.207 122.820 0.075 0.000 1.972 489 A HA 0.006 4.326 4.320 -0.000 0.000 0.219 489 A C 1.715 179.352 177.584 0.088 0.000 1.169 489 A CA 1.571 53.655 52.037 0.079 0.000 0.635 489 A CB -0.595 18.457 19.000 0.086 0.000 0.810 489 A HN 0.466 nan 8.150 nan 0.000 0.446 490 G N -1.990 106.867 108.800 0.096 0.000 2.134 490 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.209 490 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.209 490 G C 0.576 175.521 174.900 0.075 0.000 0.993 490 G CA 0.284 45.438 45.100 0.090 0.000 0.669 490 G HN 0.437 nan 8.290 nan 0.000 0.519 491 L N -0.127 121.132 121.223 0.059 0.000 2.558 491 L HA 0.327 4.667 4.340 -0.000 0.000 0.225 491 L C 1.899 178.753 176.870 -0.027 0.000 1.128 491 L CA 0.370 55.203 54.840 -0.012 0.000 0.868 491 L CB -0.085 41.912 42.059 -0.103 0.000 1.006 491 L HN 0.320 nan 8.230 nan 0.000 0.454 492 M N 0.414 120.029 119.600 0.025 0.000 3.654 492 M HA 0.191 4.671 4.480 -0.000 0.000 0.212 492 M C -0.524 175.804 176.300 0.047 0.000 1.354 492 M CA 0.321 55.632 55.300 0.019 0.000 1.564 492 M CB -0.064 32.586 32.600 0.084 0.000 1.056 492 M HN -0.074 nan 8.290 nan 0.000 0.608 493 T N -0.992 113.581 114.554 0.033 0.000 2.916 493 T HA 0.244 4.594 4.350 -0.000 0.000 0.305 493 T C 0.970 175.696 174.700 0.042 0.000 1.119 493 T CA -0.596 61.536 62.100 0.054 0.000 1.008 493 T CB 1.971 70.879 68.868 0.068 0.000 1.129 493 T HN 0.514 nan 8.240 nan 0.000 0.480 494 S N 1.833 117.564 115.700 0.050 0.000 2.348 494 S HA -0.166 4.304 4.470 -0.000 0.000 0.221 494 S C 1.843 176.467 174.600 0.039 0.000 1.033 494 S CA 1.322 59.548 58.200 0.043 0.000 1.010 494 S CB -0.385 62.845 63.200 0.050 0.000 0.891 494 S HN 0.869 nan 8.310 nan 0.000 0.442 495 E N 2.888 123.113 120.200 0.042 0.000 2.110 495 E HA -0.101 4.249 4.350 -0.000 0.000 0.193 495 E C 2.223 178.855 176.600 0.053 0.000 0.988 495 E CA 1.130 57.551 56.400 0.034 0.000 0.804 495 E CB -0.807 28.911 29.700 0.030 0.000 0.745 495 E HN 0.586 nan 8.360 nan 0.000 0.458 496 A N 1.511 124.385 122.820 0.091 0.000 1.997 496 A HA -0.217 4.103 4.320 -0.000 0.000 0.221 496 A C 2.403 180.099 177.584 0.187 0.000 1.172 496 A CA 2.393 54.537 52.037 0.178 0.000 0.645 496 A CB -1.123 17.954 19.000 0.128 0.000 0.813 496 A HN 0.368 nan 8.150 nan 0.000 0.454 497 T N -0.343 114.262 114.554 0.086 0.000 2.812 497 T HA -0.097 4.252 4.350 -0.000 0.000 0.264 497 T C 2.177 176.901 174.700 0.040 0.000 1.042 497 T CA 1.970 64.106 62.100 0.060 0.000 1.140 497 T CB -0.591 68.290 68.868 0.022 0.000 0.870 497 T HN 0.847 nan 8.240 nan 0.000 0.445 498 T N 0.159 114.722 114.554 0.016 0.000 2.977 498 T HA -0.086 4.264 4.350 -0.000 0.000 0.271 498 T C 1.766 176.428 174.700 -0.063 0.000 1.105 498 T CA 1.090 63.181 62.100 -0.015 0.000 1.116 498 T CB -0.190 68.669 68.868 -0.015 0.000 0.878 498 T HN 0.400 nan 8.240 nan 0.000 0.509 499 Q N -1.231 118.507 119.800 -0.103 0.000 2.352 499 Q HA 0.192 4.532 4.340 -0.000 0.000 0.212 499 Q C 0.512 176.175 176.000 -0.561 0.000 0.888 499 Q CA 0.156 55.754 55.803 -0.343 0.000 0.934 499 Q CB 0.408 28.861 28.738 -0.474 0.000 1.093 499 Q HN 0.782 nan 8.270 nan 0.000 0.523 500 Y N -1.910 118.383 120.300 -0.012 0.000 2.459 500 Y HA 0.431 4.981 4.550 -0.000 0.000 0.271 500 Y C 0.270 176.159 175.900 -0.019 0.000 1.063 500 Y CA -0.267 57.823 58.100 -0.015 0.000 1.216 500 Y CB 0.646 39.096 38.460 -0.017 0.000 1.335 500 Y HN 0.001 nan 8.280 nan 0.000 0.550 501 A N 1.901 124.792 122.820 0.119 0.000 2.484 501 A HA 0.459 4.779 4.320 -0.000 0.000 0.268 501 A C 1.032 178.637 177.584 0.035 0.000 1.114 501 A CA 0.379 52.454 52.037 0.062 0.000 0.780 501 A CB -0.663 18.361 19.000 0.039 0.000 1.061 501 A HN 0.385 nan 8.150 nan 0.000 0.505 502 G N 2.520 111.338 108.800 0.031 0.000 2.321 502 G HA2 0.198 4.158 3.960 -0.000 0.000 0.237 502 G HA3 0.198 4.158 3.960 -0.000 0.000 0.237 502 G C 0.650 175.559 174.900 0.015 0.000 1.282 502 G CA 0.309 45.419 45.100 0.017 0.000 0.886 502 G HN 0.896 nan 8.290 nan 0.000 0.528 503 E N 1.770 121.975 120.200 0.009 0.000 2.160 503 E HA -0.332 4.017 4.350 -0.000 0.000 0.237 503 E C 2.681 179.290 176.600 0.014 0.000 1.069 503 E CA 1.773 58.178 56.400 0.009 0.000 0.950 503 E CB -0.518 29.186 29.700 0.007 0.000 0.832 503 E HN 0.645 nan 8.360 nan 0.000 0.496 504 G N 1.940 110.751 108.800 0.018 0.000 2.679 504 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.222 504 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.222 504 G C 1.384 176.297 174.900 0.021 0.000 1.164 504 G CA 1.271 46.384 45.100 0.022 0.000 0.769 504 G HN 0.175 nan 8.290 nan 0.000 0.610 505 L N 1.049 122.287 121.223 0.024 0.000 1.973 505 L HA 0.004 4.344 4.340 -0.000 0.000 0.208 505 L C 2.682 179.561 176.870 0.015 0.000 1.073 505 L CA 2.787 57.639 54.840 0.021 0.000 0.746 505 L CB -1.133 40.940 42.059 0.024 0.000 0.891 505 L HN 0.404 nan 8.230 nan 0.000 0.433 506 K N -0.534 119.875 120.400 0.015 0.000 2.207 506 K HA -0.221 4.099 4.320 -0.000 0.000 0.208 506 K C 1.767 178.373 176.600 0.011 0.000 1.046 506 K CA 1.692 57.987 56.287 0.012 0.000 0.929 506 K CB -0.367 32.139 32.500 0.010 0.000 0.720 506 K HN 0.568 nan 8.250 nan 0.000 0.463 507 G N 0.758 109.565 108.800 0.012 0.000 2.575 507 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.215 507 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.215 507 G C 1.397 176.305 174.900 0.013 0.000 1.262 507 G CA 0.888 45.995 45.100 0.011 0.000 0.807 507 G HN 0.286 nan 8.290 nan 0.000 0.567 508 V N 0.725 120.647 119.914 0.014 0.000 2.380 508 V HA -0.132 3.988 4.120 -0.000 0.000 0.251 508 V C 2.590 178.694 176.094 0.017 0.000 1.063 508 V CA 1.814 64.124 62.300 0.015 0.000 1.055 508 V CB -0.361 31.471 31.823 0.015 0.000 0.657 508 V HN 0.276 nan 8.190 nan 0.000 0.455 509 L N 1.094 122.325 121.223 0.013 0.000 2.013 509 L HA -0.144 4.196 4.340 -0.000 0.000 0.212 509 L C 2.821 179.702 176.870 0.019 0.000 1.073 509 L CA 2.926 57.772 54.840 0.011 0.000 0.753 509 L CB -1.286 40.775 42.059 0.003 0.000 0.890 509 L HN 0.761 nan 8.230 nan 0.000 0.432 510 S N -1.035 114.676 115.700 0.018 0.000 2.414 510 S HA -0.010 4.460 4.470 -0.000 0.000 0.227 510 S C 2.130 176.745 174.600 0.024 0.000 1.022 510 S CA 0.651 58.864 58.200 0.021 0.000 0.958 510 S CB -0.304 62.905 63.200 0.016 0.000 0.797 510 S HN 0.379 nan 8.310 nan 0.000 0.493 511 A N 2.890 125.723 122.820 0.022 0.000 1.841 511 A HA 0.011 4.331 4.320 -0.000 0.000 0.216 511 A C 2.204 179.805 177.584 0.028 0.000 1.199 511 A CA 1.681 53.731 52.037 0.022 0.000 0.621 511 A CB -1.065 17.946 19.000 0.019 0.000 0.835 511 A HN 0.537 nan 8.150 nan 0.000 0.445 512 I N -0.183 120.407 120.570 0.033 0.000 2.118 512 I HA -0.256 3.914 4.170 -0.000 0.000 0.241 512 I C 2.749 178.899 176.117 0.055 0.000 1.070 512 I CA 1.317 62.643 61.300 0.044 0.000 1.327 512 I CB -1.034 36.998 38.000 0.053 0.000 1.034 512 I HN 0.413 nan 8.210 nan 0.000 0.405 513 G N 0.579 109.414 108.800 0.060 0.000 2.476 513 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.218 513 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.218 513 G C 1.652 176.585 174.900 0.054 0.000 1.164 513 G CA 1.683 46.826 45.100 0.072 0.000 0.768 513 G HN 0.352 nan 8.290 nan 0.000 0.560 514 T N 1.620 116.198 114.554 0.040 0.000 2.777 514 T HA 0.065 4.415 4.350 -0.000 0.000 0.266 514 T C 2.819 177.536 174.700 0.028 0.000 1.040 514 T CA 1.511 63.629 62.100 0.031 0.000 1.141 514 T CB -0.407 68.475 68.868 0.024 0.000 0.868 514 T HN 0.389 nan 8.240 nan 0.000 0.444 515 A N 1.621 124.458 122.820 0.028 0.000 1.902 515 A HA 0.221 4.541 4.320 -0.000 0.000 0.217 515 A C 2.326 179.924 177.584 0.023 0.000 1.181 515 A CA 1.530 53.581 52.037 0.023 0.000 0.623 515 A CB -0.883 18.131 19.000 0.023 0.000 0.818 515 A HN 0.511 nan 8.150 nan 0.000 0.443 516 A N -0.485 122.354 122.820 0.032 0.000 2.310 516 A HA 0.442 4.762 4.320 -0.000 0.000 0.230 516 A C 1.317 178.914 177.584 0.022 0.000 1.294 516 A CA 0.663 52.716 52.037 0.026 0.000 0.898 516 A CB -1.641 17.383 19.000 0.039 0.000 0.917 516 A HN 1.903 nan 8.150 nan 0.000 0.491 517 G N -1.029 107.784 108.800 0.022 0.000 2.222 517 G HA2 -0.134 3.825 3.960 -0.000 0.000 0.234 517 G HA3 -0.134 3.825 3.960 -0.000 0.000 0.234 517 G C 0.041 174.956 174.900 0.025 0.000 0.698 517 G CA 0.517 45.628 45.100 0.019 0.000 1.094 517 G HN 0.953 nan 8.290 nan 0.000 0.316 518 L N 0.741 121.985 121.223 0.036 0.000 3.386 518 L HA 0.525 4.865 4.340 -0.000 0.000 0.307 518 L C 1.827 178.725 176.870 0.047 0.000 1.235 518 L CA 1.499 56.368 54.840 0.048 0.000 1.056 518 L CB 0.229 42.334 42.059 0.077 0.000 1.453 518 L HN 1.657 nan 8.230 nan 0.000 0.615 519 G N -0.843 107.978 108.800 0.036 0.000 2.956 519 G HA2 -0.142 3.818 3.960 -0.000 0.000 0.210 519 G HA3 -0.142 3.818 3.960 -0.000 0.000 0.210 519 G C 0.644 175.563 174.900 0.031 0.000 1.316 519 G CA -0.069 45.050 45.100 0.032 0.000 0.819 519 G HN 0.809 nan 8.290 nan 0.000 0.544 520 G N 0.693 109.516 108.800 0.038 0.000 3.039 520 G HA2 0.784 4.744 3.960 -0.000 0.000 0.202 520 G HA3 0.784 4.744 3.960 -0.000 0.000 0.202 520 G C -3.069 171.855 174.900 0.040 0.000 1.151 520 G CA 0.280 45.400 45.100 0.034 0.000 0.836 520 G HN 0.620 nan 8.290 nan 0.000 0.598 521 P HA 0.412 nan 4.420 nan 0.000 0.278 521 P C -0.028 177.298 177.300 0.043 0.000 1.258 521 P CA -0.449 62.672 63.100 0.036 0.000 0.811 521 P CB 1.458 33.172 31.700 0.023 0.000 1.063 522 L N 1.358 122.605 121.223 0.039 0.000 2.479 522 L HA 0.137 4.477 4.340 -0.000 0.000 0.270 522 L C -1.868 174.974 176.870 -0.047 0.000 1.236 522 L CA -1.519 53.333 54.840 0.019 0.000 0.823 522 L CB -0.831 41.222 42.059 -0.010 0.000 1.098 522 L HN 0.254 nan 8.230 nan 0.000 0.500 523 P HA -0.059 nan 4.420 nan 0.000 0.271 523 P C 0.604 177.817 177.300 -0.145 0.000 1.216 523 P CA -0.309 62.717 63.100 -0.124 0.000 0.776 523 P CB 0.539 32.132 31.700 -0.177 0.000 0.881 524 L N 3.572 124.741 121.223 -0.090 0.000 2.129 524 L HA -0.079 4.261 4.340 -0.000 0.000 0.212 524 L C -0.012 176.751 176.870 -0.178 0.000 1.087 524 L CA 2.242 57.025 54.840 -0.094 0.000 0.757 524 L CB -0.128 41.898 42.059 -0.055 0.000 0.896 524 L HN 0.066 nan 8.230 nan 0.000 0.434 525 V N 0.923 120.698 119.914 -0.231 0.000 2.483 525 V HA 0.305 4.425 4.120 -0.000 0.000 0.297 525 V C 0.105 176.041 176.094 -0.264 0.000 1.027 525 V CA -0.462 61.658 62.300 -0.300 0.000 0.855 525 V CB 1.726 33.247 31.823 -0.503 0.000 0.995 525 V HN 0.094 nan 8.190 nan 0.000 0.424 526 M N 4.483 123.921 119.600 -0.271 0.000 2.080 526 M HA 0.393 4.873 4.480 -0.000 0.000 0.350 526 M C -0.227 176.035 176.300 -0.062 0.000 1.173 526 M CA -0.539 54.542 55.300 -0.365 0.000 1.052 526 M CB 0.635 32.969 32.600 -0.443 0.000 1.577 526 M HN 0.649 nan 8.290 nan 0.000 0.455 527 H N 5.229 124.276 119.070 -0.039 0.000 3.086 527 H HA 0.179 4.735 4.556 -0.000 0.000 0.265 527 H C 0.055 175.471 175.328 0.148 0.000 1.092 527 H CA 0.557 56.656 56.048 0.084 0.000 1.487 527 H CB 0.599 30.442 29.762 0.135 0.000 1.514 527 H HN 0.763 nan 8.280 nan 0.000 0.497 528 M N 3.687 123.517 119.600 0.383 0.000 2.431 528 M HA 0.179 4.659 4.480 -0.000 0.000 0.237 528 M C 0.941 177.385 176.300 0.240 0.000 1.130 528 M CA 0.512 55.974 55.300 0.270 0.000 1.002 528 M CB 0.511 33.215 32.600 0.173 0.000 1.524 528 M HN 0.829 nan 8.290 nan 0.000 0.482 529 G N 0.388 109.410 108.800 0.371 0.000 2.352 529 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.324 529 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.324 529 G C -0.381 174.645 174.900 0.211 0.000 1.249 529 G CA -0.401 44.829 45.100 0.217 0.000 1.053 529 G HN 0.400 nan 8.290 nan 0.000 0.492 530 S N -1.117 114.687 115.700 0.174 0.000 2.633 530 S HA 0.372 4.842 4.470 -0.000 0.000 0.257 530 S C 1.791 176.481 174.600 0.149 0.000 1.265 530 S CA 0.518 58.820 58.200 0.170 0.000 0.980 530 S CB 0.596 63.917 63.200 0.203 0.000 1.017 530 S HN 1.460 nan 8.310 nan 0.000 0.577 531 C N 0.487 119.914 119.300 0.211 0.000 2.413 531 C HA -0.103 4.357 4.460 -0.000 0.000 0.277 531 C C 2.957 178.026 174.990 0.132 0.000 1.228 531 C CA 0.919 60.079 59.018 0.236 0.000 1.731 531 C CB -1.962 26.059 27.740 0.467 0.000 2.042 531 C HN 0.814 nan 8.230 nan 0.000 0.468 532 V N 0.391 120.348 119.914 0.073 0.000 2.469 532 V HA -0.184 3.936 4.120 -0.000 0.000 0.251 532 V C 1.387 177.466 176.094 -0.026 0.000 1.064 532 V CA 2.485 64.719 62.300 -0.111 0.000 1.066 532 V CB -1.039 30.724 31.823 -0.100 0.000 0.667 532 V HN 0.381 nan 8.190 nan 0.000 0.461 533 D N 0.950 121.381 120.400 0.052 0.000 2.379 533 D HA -0.051 4.589 4.640 -0.000 0.000 0.243 533 D C 1.652 178.002 176.300 0.084 0.000 1.088 533 D CA 0.462 54.499 54.000 0.062 0.000 0.925 533 D CB -0.643 40.215 40.800 0.095 0.000 0.888 533 D HN 0.502 nan 8.370 nan 0.000 0.529 534 N N -0.274 118.495 118.700 0.114 0.000 2.512 534 N HA -0.080 4.660 4.740 -0.000 0.000 0.183 534 N C 1.520 177.136 175.510 0.176 0.000 1.073 534 N CA 0.354 53.520 53.050 0.194 0.000 0.911 534 N CB 0.207 38.892 38.487 0.330 0.000 0.964 534 N HN 0.194 nan 8.380 nan 0.000 0.447 535 S N 0.220 115.949 115.700 0.048 0.000 2.428 535 S HA 0.073 4.543 4.470 -0.000 0.000 0.230 535 S C 1.799 176.402 174.600 0.005 0.000 1.014 535 S CA 0.183 58.354 58.200 -0.049 0.000 0.957 535 S CB 0.058 63.175 63.200 -0.139 0.000 0.784 535 S HN 0.165 nan 8.310 nan 0.000 0.499 536 R N 1.719 122.241 120.500 0.037 0.000 2.105 536 R HA 0.064 4.404 4.340 -0.000 0.000 0.239 536 R C 2.551 178.888 176.300 0.061 0.000 1.135 536 R CA 1.427 57.559 56.100 0.053 0.000 0.967 536 R CB -1.059 29.285 30.300 0.074 0.000 0.861 536 R HN 0.600 nan 8.270 nan 0.000 0.442 537 A N 0.494 123.360 122.820 0.077 0.000 1.898 537 A HA -0.045 4.275 4.320 -0.000 0.000 0.214 537 A C 2.416 180.040 177.584 0.066 0.000 1.183 537 A CA 0.939 53.022 52.037 0.076 0.000 0.622 537 A CB -0.349 18.705 19.000 0.091 0.000 0.824 537 A HN 0.086 nan 8.150 nan 0.000 0.444 538 V N 0.164 120.119 119.914 0.068 0.000 2.407 538 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 538 V C 3.004 179.107 176.094 0.014 0.000 1.055 538 V CA 1.884 64.206 62.300 0.038 0.000 1.049 538 V CB -1.327 30.473 31.823 -0.038 0.000 0.662 538 V HN 0.598 nan 8.190 nan 0.000 0.455 539 A N -0.316 122.512 122.820 0.014 0.000 1.858 539 A HA -0.172 4.148 4.320 -0.000 0.000 0.216 539 A C 2.293 179.891 177.584 0.023 0.000 1.190 539 A CA 1.954 54.002 52.037 0.018 0.000 0.617 539 A CB -0.626 18.390 19.000 0.027 0.000 0.827 539 A HN 0.451 nan 8.150 nan 0.000 0.443 540 L N -0.751 120.491 121.223 0.032 0.000 2.042 540 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 540 L C 2.993 179.877 176.870 0.023 0.000 1.076 540 L CA 1.417 56.276 54.840 0.032 0.000 0.749 540 L CB -0.470 41.614 42.059 0.041 0.000 0.893 540 L HN 0.467 nan 8.230 nan 0.000 0.432 541 A N -0.180 122.654 122.820 0.023 0.000 1.865 541 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 541 A C 2.316 179.906 177.584 0.011 0.000 1.191 541 A CA 2.675 54.721 52.037 0.016 0.000 0.623 541 A CB -1.245 17.768 19.000 0.021 0.000 0.826 541 A HN 0.597 nan 8.150 nan 0.000 0.444 542 T N -1.858 112.702 114.554 0.010 0.000 2.833 542 T HA 0.038 4.388 4.350 -0.000 0.000 0.269 542 T C 1.892 176.594 174.700 0.004 0.000 1.054 542 T CA 1.766 63.869 62.100 0.004 0.000 1.135 542 T CB -0.607 68.261 68.868 -0.001 0.000 0.869 542 T HN 0.615 nan 8.240 nan 0.000 0.466 543 A N 1.731 124.556 122.820 0.008 0.000 1.858 543 A HA 0.166 4.486 4.320 -0.000 0.000 0.216 543 A C 2.401 179.989 177.584 0.007 0.000 1.190 543 A CA 1.415 53.457 52.037 0.008 0.000 0.617 543 A CB -1.035 17.973 19.000 0.013 0.000 0.827 543 A HN 0.535 nan 8.150 nan 0.000 0.443 544 L N -0.658 120.570 121.223 0.008 0.000 2.042 544 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 544 L C 2.793 179.665 176.870 0.003 0.000 1.076 544 L CA 1.636 56.479 54.840 0.006 0.000 0.749 544 L CB -0.435 41.627 42.059 0.006 0.000 0.893 544 L HN 0.411 nan 8.230 nan 0.000 0.432 545 A N 0.213 123.035 122.820 0.002 0.000 1.908 545 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 545 A C 1.929 179.513 177.584 -0.001 0.000 1.181 545 A CA 2.019 54.056 52.037 -0.000 0.000 0.627 545 A CB -0.714 18.286 19.000 -0.000 0.000 0.818 545 A HN 0.601 nan 8.150 nan 0.000 0.445 546 N N -0.284 118.415 118.700 -0.001 0.000 2.188 546 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 546 N C 1.654 177.163 175.510 -0.001 0.000 1.018 546 N CA 1.569 54.618 53.050 -0.002 0.000 0.858 546 N CB -0.309 38.176 38.487 -0.003 0.000 0.989 546 N HN 0.461 nan 8.380 nan 0.000 0.426 547 K N 1.475 121.875 120.400 0.000 0.000 2.032 547 K HA 0.031 4.351 4.320 -0.000 0.000 0.209 547 K C 1.640 178.240 176.600 -0.000 0.000 1.048 547 K CA 0.984 57.272 56.287 0.001 0.000 0.927 547 K CB -0.367 32.134 32.500 0.002 0.000 0.712 547 K HN 0.159 nan 8.250 nan 0.000 0.441 548 L N -0.396 120.826 121.223 -0.001 0.000 2.599 548 L HA 0.167 4.507 4.340 -0.000 0.000 0.230 548 L C 0.939 177.808 176.870 -0.002 0.000 1.141 548 L CA 0.336 55.175 54.840 -0.001 0.000 0.877 548 L CB -0.579 41.478 42.059 -0.002 0.000 1.009 548 L HN 0.518 nan 8.230 nan 0.000 0.447 549 G N 0.927 109.726 108.800 -0.002 0.000 2.283 549 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.280 549 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.280 549 G C -0.090 174.809 174.900 -0.002 0.000 1.029 549 G CA 0.686 45.784 45.100 -0.003 0.000 0.840 549 G HN 0.254 nan 8.290 nan 0.000 0.505 550 V N -1.343 118.569 119.914 -0.002 0.000 3.145 550 V HA 0.861 4.981 4.120 -0.000 0.000 0.311 550 V C -0.663 175.430 176.094 -0.002 0.000 1.238 550 V CA -0.415 61.884 62.300 -0.002 0.000 1.066 550 V CB 2.140 33.962 31.823 -0.002 0.000 1.144 550 V HN 0.272 nan 8.190 nan 0.000 0.465 551 D N -0.509 119.890 120.400 -0.001 0.000 2.340 551 D HA 0.390 5.030 4.640 -0.000 0.000 0.243 551 D C 0.764 177.064 176.300 -0.000 0.000 0.988 551 D CA -0.334 53.666 54.000 -0.000 0.000 0.959 551 D CB 1.938 42.739 40.800 0.002 0.000 1.226 551 D HN 0.286 nan 8.370 nan 0.000 0.509 552 L N 1.072 122.296 121.223 0.001 0.000 2.131 552 L HA -0.123 4.216 4.340 -0.000 0.000 0.210 552 L C 2.212 179.079 176.870 -0.005 0.000 1.092 552 L CA 1.486 56.325 54.840 -0.001 0.000 0.759 552 L CB -0.826 41.236 42.059 0.005 0.000 0.903 552 L HN 0.418 nan 8.230 nan 0.000 0.435 553 S N -1.662 114.038 115.700 0.000 0.000 2.595 553 S HA -0.094 4.376 4.470 -0.000 0.000 0.235 553 S C 1.066 175.671 174.600 0.007 0.000 0.974 553 S CA 0.981 59.184 58.200 0.005 0.000 0.942 553 S CB -0.394 62.815 63.200 0.014 0.000 0.766 553 S HN 0.496 nan 8.310 nan 0.000 0.536 554 D N 0.431 120.831 120.400 0.000 0.000 2.473 554 D HA 0.272 4.912 4.640 -0.000 0.000 0.230 554 D C 0.514 176.808 176.300 -0.009 0.000 1.097 554 D CA -0.052 53.947 54.000 -0.001 0.000 0.861 554 D CB 0.218 41.017 40.800 -0.001 0.000 1.114 554 D HN 0.373 nan 8.370 nan 0.000 0.500 555 L N 2.875 124.090 121.223 -0.013 0.000 2.452 555 L HA 0.156 4.496 4.340 -0.000 0.000 0.267 555 L C -1.749 175.103 176.870 -0.030 0.000 1.188 555 L CA -1.276 53.553 54.840 -0.019 0.000 0.821 555 L CB 0.323 42.372 42.059 -0.017 0.000 1.102 555 L HN -0.223 nan 8.230 nan 0.000 0.470 556 P HA 0.091 nan 4.420 nan 0.000 0.218 556 P C -0.720 176.545 177.300 -0.059 0.000 1.793 556 P CA -0.157 62.910 63.100 -0.056 0.000 0.941 556 P CB 0.161 31.823 31.700 -0.064 0.000 1.919 557 L N 1.603 122.792 121.223 -0.055 0.000 2.282 557 L HA 0.560 4.900 4.340 -0.000 0.000 0.288 557 L C -0.847 175.970 176.870 -0.088 0.000 1.033 557 L CA -0.614 54.188 54.840 -0.063 0.000 0.807 557 L CB 1.837 43.870 42.059 -0.043 0.000 1.209 557 L HN -0.107 nan 8.230 nan 0.000 0.423 558 V N 5.055 124.904 119.914 -0.109 0.000 2.789 558 V HA 0.928 5.048 4.120 -0.000 0.000 0.311 558 V C -0.615 175.381 176.094 -0.163 0.000 1.073 558 V CA -0.091 62.126 62.300 -0.138 0.000 0.921 558 V CB 1.982 33.729 31.823 -0.127 0.000 1.009 558 V HN 1.071 nan 8.190 nan 0.000 0.426 559 A N 4.035 126.758 122.820 -0.162 0.000 2.324 559 A HA 0.902 5.222 4.320 -0.000 0.000 0.330 559 A C -0.329 177.202 177.584 -0.088 0.000 1.165 559 A CA -0.150 51.796 52.037 -0.152 0.000 0.813 559 A CB 1.672 20.577 19.000 -0.158 0.000 1.197 559 A HN 1.372 nan 8.150 nan 0.000 0.484 560 S N 0.803 116.469 115.700 -0.056 0.000 2.619 560 S HA 0.641 5.111 4.470 -0.000 0.000 0.280 560 S C -0.708 174.062 174.600 0.284 0.000 1.150 560 S CA 0.198 58.506 58.200 0.179 0.000 0.978 560 S CB 1.326 64.663 63.200 0.228 0.000 1.041 560 S HN 1.945 nan 8.310 nan 0.000 0.485 561 A N 6.492 129.421 122.820 0.181 0.000 3.064 561 A HA 0.619 4.938 4.320 -0.000 0.000 0.339 561 A C -2.150 175.476 177.584 0.070 0.000 1.078 561 A CA -1.517 50.619 52.037 0.165 0.000 0.869 561 A CB 0.221 19.243 19.000 0.037 0.000 1.067 561 A HN 0.632 nan 8.150 nan 0.000 0.480 562 P HA -0.201 nan 4.420 nan 0.000 0.216 562 P C 0.519 177.708 177.300 -0.185 0.000 1.154 562 P CA 1.601 64.731 63.100 0.049 0.000 0.865 562 P CB 0.285 31.981 31.700 -0.006 0.000 0.789 563 E N -1.665 118.367 120.200 -0.279 0.000 2.995 563 E HA 0.123 4.473 4.350 -0.000 0.000 0.203 563 E C 0.008 176.548 176.600 -0.101 0.000 0.980 563 E CA -0.414 55.835 56.400 -0.252 0.000 1.172 563 E CB -0.358 29.080 29.700 -0.436 0.000 1.088 563 E HN 0.289 nan 8.360 nan 0.000 0.463 564 C N -0.087 119.179 119.300 -0.056 0.000 2.702 564 C HA 0.265 4.724 4.460 -0.000 0.000 0.411 564 C C 1.279 176.219 174.990 -0.083 0.000 1.286 564 C CA -0.268 58.722 59.018 -0.046 0.000 1.979 564 C CB 0.656 28.366 27.740 -0.050 0.000 2.728 564 C HN 0.550 nan 8.230 nan 0.000 0.652 565 M N 1.772 121.312 119.600 -0.100 0.000 1.793 565 M HA 0.147 4.627 4.480 -0.000 0.000 0.222 565 M C 0.638 176.861 176.300 -0.128 0.000 1.202 565 M CA 0.646 55.876 55.300 -0.117 0.000 0.959 565 M CB -0.668 31.846 32.600 -0.142 0.000 1.726 565 M HN 0.945 nan 8.290 nan 0.000 0.618 566 S N 0.928 116.534 115.700 -0.156 0.000 2.632 566 S HA 0.288 4.758 4.470 -0.000 0.000 0.267 566 S C 0.671 175.196 174.600 -0.125 0.000 1.276 566 S CA -0.245 57.861 58.200 -0.157 0.000 0.998 566 S CB 1.078 64.161 63.200 -0.196 0.000 0.953 566 S HN 0.402 nan 8.310 nan 0.000 0.547 567 E N 0.580 120.704 120.200 -0.126 0.000 2.150 567 E HA -0.111 4.239 4.350 -0.000 0.000 0.193 567 E C 1.847 178.379 176.600 -0.115 0.000 0.985 567 E CA 0.882 57.213 56.400 -0.114 0.000 0.814 567 E CB -0.102 29.530 29.700 -0.114 0.000 0.752 567 E HN 0.599 nan 8.360 nan 0.000 0.466 568 K N 0.555 120.859 120.400 -0.160 0.000 2.026 568 K HA -0.112 4.208 4.320 -0.000 0.000 0.208 568 K C 2.247 178.805 176.600 -0.069 0.000 1.048 568 K CA 1.076 57.244 56.287 -0.197 0.000 0.929 568 K CB -0.144 32.122 32.500 -0.390 0.000 0.713 568 K HN 0.045 nan 8.250 nan 0.000 0.439 569 A N 1.287 124.066 122.820 -0.069 0.000 1.908 569 A HA -0.179 4.141 4.320 -0.000 0.000 0.218 569 A C 2.055 179.601 177.584 -0.063 0.000 1.181 569 A CA 1.272 53.281 52.037 -0.046 0.000 0.627 569 A CB -0.529 18.438 19.000 -0.055 0.000 0.818 569 A HN 0.190 nan 8.150 nan 0.000 0.445 570 L N -0.603 120.579 121.223 -0.068 0.000 2.131 570 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 570 L C 2.744 179.594 176.870 -0.032 0.000 1.092 570 L CA 1.797 56.601 54.840 -0.060 0.000 0.759 570 L CB -0.698 41.314 42.059 -0.079 0.000 0.903 570 L HN 0.388 nan 8.230 nan 0.000 0.435 571 A N -0.583 122.222 122.820 -0.025 0.000 1.854 571 A HA -0.132 4.188 4.320 -0.000 0.000 0.214 571 A C 2.255 179.751 177.584 -0.146 0.000 1.192 571 A CA 1.617 53.668 52.037 0.024 0.000 0.611 571 A CB -0.686 18.381 19.000 0.113 0.000 0.832 571 A HN 0.367 nan 8.150 nan 0.000 0.442 572 I N -0.038 120.395 120.570 -0.229 0.000 2.113 572 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 572 I C 2.718 178.246 176.117 -0.982 0.000 1.064 572 I CA 1.424 62.247 61.300 -0.794 0.000 1.320 572 I CB -0.768 37.027 38.000 -0.342 0.000 1.028 572 I HN 0.424 nan 8.210 nan 0.000 0.406 573 G N -0.147 108.414 108.800 -0.398 0.000 2.440 573 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.218 573 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.218 573 G C 1.750 176.546 174.900 -0.175 0.000 1.154 573 G CA 1.077 46.055 45.100 -0.203 0.000 0.767 573 G HN 0.383 nan 8.290 nan 0.000 0.552 574 S N 0.271 115.975 115.700 0.006 0.000 2.368 574 S HA -0.113 4.357 4.470 -0.000 0.000 0.225 574 S C 1.992 176.601 174.600 0.015 0.000 1.030 574 S CA 1.515 59.779 58.200 0.107 0.000 0.999 574 S CB -0.446 62.862 63.200 0.180 0.000 0.844 574 S HN 0.850 nan 8.310 nan 0.000 0.459 575 W N 1.653 122.962 121.300 0.014 0.000 2.518 575 W HA 0.252 4.912 4.660 -0.000 0.000 0.273 575 W C 2.061 178.544 176.519 -0.060 0.000 1.247 575 W CA 0.439 57.773 57.345 -0.020 0.000 1.288 575 W CB -0.694 28.761 29.460 -0.009 0.000 1.107 575 W HN 0.263 nan 8.180 nan 0.000 0.586 576 A N 1.869 124.574 122.820 -0.190 0.000 1.908 576 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 576 A C 2.227 179.739 177.584 -0.120 0.000 1.181 576 A CA 2.439 54.380 52.037 -0.161 0.000 0.627 576 A CB -1.020 17.711 19.000 -0.448 0.000 0.818 576 A HN 0.156 nan 8.150 nan 0.000 0.445 577 V N -0.407 119.350 119.914 -0.263 0.000 2.453 577 V HA -0.166 3.953 4.120 -0.000 0.000 0.247 577 V C 2.632 178.659 176.094 -0.112 0.000 1.048 577 V CA 2.311 64.424 62.300 -0.312 0.000 1.049 577 V CB -0.916 30.543 31.823 -0.608 0.000 0.672 577 V HN 0.618 nan 8.190 nan 0.000 0.457 578 T N -0.259 114.290 114.554 -0.009 0.000 2.985 578 T HA 0.057 4.407 4.350 -0.000 0.000 0.266 578 T C 1.823 176.557 174.700 0.057 0.000 1.076 578 T CA 0.940 63.067 62.100 0.044 0.000 1.135 578 T CB -0.103 68.819 68.868 0.090 0.000 0.890 578 T HN 0.301 nan 8.240 nan 0.000 0.480 579 I N 0.490 121.119 120.570 0.098 0.000 2.394 579 I HA -0.031 4.139 4.170 -0.000 0.000 0.251 579 I C 2.106 178.244 176.117 0.036 0.000 1.136 579 I CA 1.307 62.658 61.300 0.084 0.000 1.425 579 I CB -0.062 38.033 38.000 0.158 0.000 1.079 579 I HN 0.530 nan 8.210 nan 0.000 0.425 580 G N -0.107 108.698 108.800 0.008 0.000 2.425 580 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.177 580 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.177 580 G C 0.234 175.101 174.900 -0.056 0.000 0.999 580 G CA -0.607 44.485 45.100 -0.013 0.000 0.723 580 G HN 0.115 nan 8.290 nan 0.000 0.491 581 L N 1.293 122.463 121.223 -0.088 0.000 2.397 581 L HA 0.416 4.756 4.340 -0.000 0.000 0.271 581 L C -2.309 174.378 176.870 -0.306 0.000 1.148 581 L CA -1.795 52.951 54.840 -0.155 0.000 0.825 581 L CB 0.744 42.726 42.059 -0.129 0.000 1.117 581 L HN -0.128 nan 8.230 nan 0.000 0.456 582 P HA 0.150 nan 4.420 nan 0.000 0.281 582 P C -0.932 176.084 177.300 -0.473 0.000 1.286 582 P CA -0.056 62.590 63.100 -0.757 0.000 0.772 582 P CB 0.938 32.206 31.700 -0.720 0.000 0.862 583 T N 3.433 117.704 114.554 -0.471 0.000 2.794 583 T HA 0.248 4.598 4.350 -0.000 0.000 0.280 583 T C -0.514 174.174 174.700 -0.019 0.000 0.987 583 T CA -0.375 61.572 62.100 -0.255 0.000 0.993 583 T CB 0.435 69.081 68.868 -0.371 0.000 0.939 583 T HN 0.408 nan 8.240 nan 0.000 0.449 584 H N 2.752 121.808 119.070 -0.022 0.000 2.467 584 H HA 0.584 5.140 4.556 -0.000 0.000 0.326 584 H C -0.929 174.467 175.328 0.114 0.000 1.094 584 H CA -0.781 55.309 56.048 0.069 0.000 1.253 584 H CB 1.088 30.882 29.762 0.054 0.000 1.439 584 H HN 0.472 nan 8.280 nan 0.000 0.479 585 V N 2.501 122.169 119.914 -0.410 0.000 2.448 585 V HA 0.508 4.628 4.120 -0.000 0.000 0.295 585 V C 0.757 176.529 176.094 -0.537 0.000 1.025 585 V CA -0.366 61.693 62.300 -0.402 0.000 0.859 585 V CB 1.405 33.135 31.823 -0.154 0.000 0.988 585 V HN 0.877 nan 8.190 nan 0.000 0.431 586 G N 1.845 110.382 108.800 -0.439 0.000 3.605 586 G HA2 0.294 4.254 3.960 -0.000 0.000 0.277 586 G HA3 0.294 4.254 3.960 -0.000 0.000 0.277 586 G C 0.593 175.434 174.900 -0.098 0.000 1.093 586 G CA 0.538 45.534 45.100 -0.174 0.000 0.821 586 G HN 0.706 nan 8.290 nan 0.000 0.532 587 S N -0.678 114.955 115.700 -0.112 0.000 2.593 587 S HA 0.226 4.696 4.470 -0.000 0.000 0.235 587 S C 0.407 174.968 174.600 -0.066 0.000 1.059 587 S CA 0.204 58.355 58.200 -0.082 0.000 0.953 587 S CB 0.868 64.013 63.200 -0.091 0.000 0.897 587 S HN 0.498 nan 8.310 nan 0.000 0.507 588 V N 2.159 122.025 119.914 -0.081 0.000 4.139 588 V HA -0.108 4.012 4.120 -0.000 0.000 0.423 588 V C -2.831 173.217 176.094 -0.076 0.000 0.673 588 V CA -0.682 61.576 62.300 -0.070 0.000 1.778 588 V CB -2.005 29.796 31.823 -0.036 0.000 2.178 588 V HN 0.248 nan 8.190 nan 0.000 0.486 589 P HA 0.336 nan 4.420 nan 0.000 0.272 589 P C -2.303 174.963 177.300 -0.056 0.000 1.240 589 P CA -1.389 61.654 63.100 -0.096 0.000 0.791 589 P CB 0.311 31.909 31.700 -0.170 0.000 0.978 590 P HA -0.032 nan 4.420 nan 0.000 0.232 590 P C 0.077 177.372 177.300 -0.007 0.000 1.606 590 P CA 0.747 63.847 63.100 0.000 0.000 1.105 590 P CB -0.409 31.316 31.700 0.041 0.000 1.919 591 V N 1.417 121.312 119.914 -0.032 0.000 3.090 591 V HA -0.062 4.058 4.120 -0.000 0.000 0.237 591 V C 2.283 178.364 176.094 -0.022 0.000 1.209 591 V CA 0.341 62.622 62.300 -0.031 0.000 1.209 591 V CB -0.787 30.999 31.823 -0.063 0.000 0.971 591 V HN 0.269 nan 8.190 nan 0.000 0.477 592 I N 1.008 121.564 120.570 -0.023 0.000 2.290 592 I HA -0.199 3.971 4.170 -0.000 0.000 0.253 592 I C 2.145 178.251 176.117 -0.017 0.000 1.112 592 I CA 2.157 63.449 61.300 -0.014 0.000 1.377 592 I CB -1.232 36.760 38.000 -0.013 0.000 1.060 592 I HN 0.328 nan 8.210 nan 0.000 0.428 593 G N 0.369 109.153 108.800 -0.028 0.000 2.535 593 G HA2 -0.125 3.835 3.960 -0.000 0.000 0.218 593 G HA3 -0.125 3.835 3.960 -0.000 0.000 0.218 593 G C 0.676 175.561 174.900 -0.025 0.000 1.122 593 G CA 0.765 45.842 45.100 -0.038 0.000 0.769 593 G HN 0.483 nan 8.290 nan 0.000 0.549 594 S N -1.128 114.566 115.700 -0.010 0.000 2.647 594 S HA 0.393 4.863 4.470 -0.000 0.000 0.300 594 S C 0.775 175.380 174.600 0.009 0.000 1.129 594 S CA -0.608 57.593 58.200 0.002 0.000 1.029 594 S CB 1.607 64.813 63.200 0.010 0.000 1.007 594 S HN 0.305 nan 8.310 nan 0.000 0.484 595 Q N 3.080 122.887 119.800 0.013 0.000 2.137 595 Q HA 0.008 4.348 4.340 -0.000 0.000 0.198 595 Q C 1.296 177.311 176.000 0.025 0.000 0.960 595 Q CA 1.145 56.959 55.803 0.019 0.000 0.847 595 Q CB -0.165 28.585 28.738 0.019 0.000 0.915 595 Q HN 0.780 nan 8.270 nan 0.000 0.448 596 I N 0.065 120.650 120.570 0.026 0.000 2.163 596 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 596 I C 2.192 178.331 176.117 0.036 0.000 1.085 596 I CA 1.167 62.485 61.300 0.031 0.000 1.347 596 I CB -0.645 37.374 38.000 0.032 0.000 1.044 596 I HN -0.011 nan 8.210 nan 0.000 0.408 597 V N -0.097 119.837 119.914 0.033 0.000 2.261 597 V HA -0.301 3.819 4.120 -0.000 0.000 0.246 597 V C 2.459 178.577 176.094 0.040 0.000 1.047 597 V CA 2.471 64.793 62.300 0.037 0.000 1.015 597 V CB -1.236 30.603 31.823 0.027 0.000 0.642 597 V HN 0.453 nan 8.190 nan 0.000 0.446 598 T N -0.351 114.220 114.554 0.029 0.000 2.721 598 T HA -0.307 4.043 4.350 -0.000 0.000 0.268 598 T C 1.911 176.645 174.700 0.057 0.000 1.038 598 T CA 2.111 64.232 62.100 0.034 0.000 1.145 598 T CB -0.234 68.649 68.868 0.025 0.000 0.858 598 T HN 0.500 nan 8.240 nan 0.000 0.459 599 K N 0.683 121.113 120.400 0.050 0.000 2.001 599 K HA 0.009 4.329 4.320 -0.000 0.000 0.208 599 K C 2.311 178.951 176.600 0.068 0.000 1.048 599 K CA 0.979 57.297 56.287 0.051 0.000 0.932 599 K CB -0.338 32.184 32.500 0.037 0.000 0.715 599 K HN 0.260 nan 8.250 nan 0.000 0.437 600 L N 1.182 122.446 121.223 0.068 0.000 2.021 600 L HA -0.218 4.122 4.340 -0.000 0.000 0.215 600 L C 2.392 179.336 176.870 0.122 0.000 1.074 600 L CA 1.716 56.605 54.840 0.082 0.000 0.760 600 L CB -0.592 41.512 42.059 0.075 0.000 0.889 600 L HN 0.256 nan 8.230 nan 0.000 0.433 601 V N -4.439 115.570 119.914 0.159 0.000 3.461 601 V HA -0.001 4.119 4.120 -0.000 0.000 0.267 601 V C 1.681 177.983 176.094 0.347 0.000 1.186 601 V CA 1.362 63.833 62.300 0.285 0.000 1.154 601 V CB -0.514 31.507 31.823 0.329 0.000 0.802 601 V HN 0.611 nan 8.190 nan 0.000 0.474 602 T N -4.473 110.221 114.554 0.232 0.000 3.058 602 T HA 0.392 4.742 4.350 -0.000 0.000 0.278 602 T C 1.000 175.766 174.700 0.110 0.000 0.974 602 T CA 0.533 62.778 62.100 0.241 0.000 0.893 602 T CB 0.475 69.466 68.868 0.204 0.000 1.138 602 T HN 0.541 nan 8.240 nan 0.000 0.529 603 E N 0.628 120.869 120.200 0.068 0.000 3.155 603 E HA 0.098 4.448 4.350 -0.000 0.000 0.208 603 E C 1.434 178.038 176.600 0.008 0.000 1.060 603 E CA 0.510 56.905 56.400 -0.008 0.000 1.522 603 E CB 0.177 29.873 29.700 -0.008 0.000 1.433 603 E HN 0.221 nan 8.360 nan 0.000 0.709 604 T N 1.420 115.997 114.554 0.038 0.000 2.962 604 T HA -0.054 4.296 4.350 -0.000 0.000 0.270 604 T C 1.864 176.595 174.700 0.052 0.000 1.088 604 T CA 1.077 63.200 62.100 0.039 0.000 1.127 604 T CB -0.083 68.813 68.868 0.046 0.000 0.883 604 T HN 0.181 nan 8.240 nan 0.000 0.493 605 A N 1.792 124.660 122.820 0.080 0.000 1.968 605 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 605 A C 2.247 179.887 177.584 0.093 0.000 1.169 605 A CA 1.042 53.134 52.037 0.092 0.000 0.638 605 A CB -0.345 18.727 19.000 0.120 0.000 0.812 605 A HN 0.404 nan 8.150 nan 0.000 0.446 606 K N -0.058 120.393 120.400 0.086 0.000 2.113 606 K HA -0.171 4.148 4.320 -0.000 0.000 0.208 606 K C 1.181 177.807 176.600 0.043 0.000 1.047 606 K CA 1.677 58.004 56.287 0.067 0.000 0.928 606 K CB -0.148 32.294 32.500 -0.096 0.000 0.716 606 K HN 0.550 nan 8.250 nan 0.000 0.446 607 D N 0.571 120.986 120.400 0.025 0.000 2.278 607 D HA -0.047 4.593 4.640 -0.000 0.000 0.228 607 D C 2.107 178.425 176.300 0.029 0.000 1.020 607 D CA 0.564 54.577 54.000 0.020 0.000 0.922 607 D CB -0.497 40.310 40.800 0.012 0.000 1.051 607 D HN 0.006 nan 8.370 nan 0.000 0.452 608 L N 0.578 121.820 121.223 0.032 0.000 2.058 608 L HA -0.217 4.123 4.340 -0.000 0.000 0.226 608 L C 2.246 179.136 176.870 0.034 0.000 1.089 608 L CA 1.394 56.254 54.840 0.033 0.000 0.799 608 L CB -0.251 41.832 42.059 0.040 0.000 0.900 608 L HN 0.003 nan 8.230 nan 0.000 0.442 609 V N -1.771 118.167 119.914 0.040 0.000 3.398 609 V HA 0.323 4.443 4.120 -0.000 0.000 0.298 609 V C 1.202 177.318 176.094 0.037 0.000 1.496 609 V CA 0.788 63.109 62.300 0.035 0.000 1.044 609 V CB 0.665 32.508 31.823 0.033 0.000 0.880 609 V HN 0.686 nan 8.190 nan 0.000 0.443 610 G N 0.389 109.221 108.800 0.053 0.000 2.396 610 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.242 610 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.242 610 G C 0.796 175.765 174.900 0.114 0.000 1.069 610 G CA 0.348 45.491 45.100 0.071 0.000 0.633 610 G HN 1.297 nan 8.290 nan 0.000 0.517 611 G N -0.620 108.213 108.800 0.055 0.000 2.522 611 G HA2 0.842 4.802 3.960 -0.000 0.000 0.304 611 G HA3 0.842 4.802 3.960 -0.000 0.000 0.304 611 G C -0.543 174.402 174.900 0.074 0.000 1.210 611 G CA -0.070 45.012 45.100 -0.029 0.000 0.960 611 G HN 1.738 nan 8.290 nan 0.000 0.497 612 Y N -3.270 116.933 120.300 -0.162 0.000 2.687 612 Y HA 0.604 5.154 4.550 -0.000 0.000 0.338 612 Y C -1.547 174.249 175.900 -0.172 0.000 1.189 612 Y CA -2.088 55.936 58.100 -0.126 0.000 1.097 612 Y CB 0.602 39.051 38.460 -0.018 0.000 1.342 612 Y HN 0.446 nan 8.280 nan 0.000 0.461 613 F N 2.303 122.341 119.950 0.146 0.000 2.375 613 F HA 0.633 5.159 4.527 -0.000 0.000 0.333 613 F C 0.169 176.070 175.800 0.168 0.000 1.104 613 F CA -0.561 57.479 58.000 0.066 0.000 1.149 613 F CB 1.231 40.258 39.000 0.045 0.000 1.190 613 F HN 0.387 nan 8.300 nan 0.000 0.533 614 I N 3.794 124.571 120.570 0.344 0.000 2.595 614 I HA 0.184 4.354 4.170 -0.000 0.000 0.275 614 I C -1.151 175.139 176.117 0.288 0.000 1.092 614 I CA -0.574 60.910 61.300 0.307 0.000 1.145 614 I CB 0.990 39.153 38.000 0.271 0.000 1.276 614 I HN 0.163 nan 8.210 nan 0.000 0.497 615 V N 4.122 124.158 119.914 0.203 0.000 2.439 615 V HA 0.310 4.430 4.120 -0.000 0.000 0.271 615 V C -0.035 176.151 176.094 0.154 0.000 1.040 615 V CA 0.077 62.451 62.300 0.123 0.000 1.002 615 V CB 0.774 32.627 31.823 0.050 0.000 1.000 615 V HN 0.616 nan 8.190 nan 0.000 0.477 616 D N 3.177 123.694 120.400 0.194 0.000 2.688 616 D HA 0.119 4.759 4.640 -0.000 0.000 0.210 616 D C 0.605 177.023 176.300 0.198 0.000 1.333 616 D CA -0.156 53.956 54.000 0.186 0.000 0.920 616 D CB 2.355 43.270 40.800 0.191 0.000 1.554 616 D HN 0.605 nan 8.370 nan 0.000 0.579 617 T N 0.036 114.653 114.554 0.106 0.000 3.169 617 T HA 0.131 4.481 4.350 -0.000 0.000 0.250 617 T C 0.388 175.130 174.700 0.070 0.000 1.111 617 T CA -0.276 61.871 62.100 0.078 0.000 1.010 617 T CB 0.097 68.987 68.868 0.038 0.000 0.984 617 T HN 0.198 nan 8.240 nan 0.000 0.537 618 D N 1.357 121.805 120.400 0.079 0.000 2.460 618 D HA 0.377 5.017 4.640 -0.000 0.000 0.232 618 D C -1.843 174.487 176.300 0.049 0.000 1.079 618 D CA -2.666 51.365 54.000 0.051 0.000 0.864 618 D CB 1.858 42.682 40.800 0.039 0.000 1.048 618 D HN -0.152 nan 8.370 nan 0.000 0.523 619 P HA -0.268 nan 4.420 nan 0.000 0.219 619 P C 1.196 178.505 177.300 0.015 0.000 1.161 619 P CA 1.518 64.641 63.100 0.039 0.000 0.909 619 P CB 0.257 31.975 31.700 0.031 0.000 0.793 620 K N -0.677 119.733 120.400 0.016 0.000 2.009 620 K HA -0.125 4.195 4.320 -0.000 0.000 0.210 620 K C 2.353 178.957 176.600 0.006 0.000 1.049 620 K CA 1.647 57.940 56.287 0.010 0.000 0.929 620 K CB -1.422 31.085 32.500 0.012 0.000 0.714 620 K HN 0.128 nan 8.250 nan 0.000 0.440 621 S N 0.701 116.407 115.700 0.011 0.000 2.359 621 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 621 S C 2.077 176.674 174.600 -0.006 0.000 1.035 621 S CA 1.475 59.684 58.200 0.014 0.000 1.018 621 S CB -0.217 63.001 63.200 0.028 0.000 0.876 621 S HN 0.360 nan 8.310 nan 0.000 0.448 622 A N 1.043 123.834 122.820 -0.049 0.000 1.865 622 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 622 A C 2.438 179.927 177.584 -0.158 0.000 1.191 622 A CA 2.057 53.975 52.037 -0.199 0.000 0.623 622 A CB -1.868 16.837 19.000 -0.492 0.000 0.826 622 A HN 0.668 nan 8.150 nan 0.000 0.444 623 G N -0.310 108.440 108.800 -0.082 0.000 2.469 623 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.219 623 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.219 623 G C 1.129 176.052 174.900 0.039 0.000 1.150 623 G CA 1.438 46.533 45.100 -0.008 0.000 0.763 623 G HN 0.486 nan 8.290 nan 0.000 0.561 624 D N 0.500 120.920 120.400 0.033 0.000 2.144 624 D HA -0.027 4.613 4.640 -0.000 0.000 0.200 624 D C 2.547 178.902 176.300 0.092 0.000 0.978 624 D CA 0.835 54.878 54.000 0.072 0.000 0.833 624 D CB -0.127 40.701 40.800 0.047 0.000 0.961 624 D HN 0.338 nan 8.370 nan 0.000 0.470 625 K N 0.138 120.571 120.400 0.054 0.000 2.103 625 K HA 0.005 4.324 4.320 -0.000 0.000 0.204 625 K C 2.282 178.924 176.600 0.069 0.000 1.052 625 K CA 0.404 56.731 56.287 0.067 0.000 0.945 625 K CB -0.006 32.533 32.500 0.067 0.000 0.722 625 K HN 0.154 nan 8.250 nan 0.000 0.443 626 L N -0.184 121.061 121.223 0.037 0.000 1.976 626 L HA -0.211 4.129 4.340 -0.000 0.000 0.209 626 L C 2.520 179.425 176.870 0.059 0.000 1.071 626 L CA 1.482 56.336 54.840 0.023 0.000 0.746 626 L CB -0.571 41.480 42.059 -0.014 0.000 0.890 626 L HN 0.145 nan 8.230 nan 0.000 0.432 627 Y N 0.468 120.757 120.300 -0.018 0.000 2.256 627 Y HA -0.299 4.251 4.550 -0.000 0.000 0.288 627 Y C 2.450 178.353 175.900 0.005 0.000 1.155 627 Y CA 1.291 59.386 58.100 -0.008 0.000 1.203 627 Y CB -0.088 38.371 38.460 -0.003 0.000 0.980 627 Y HN 0.164 nan 8.280 nan 0.000 0.530 628 A N 0.187 123.053 122.820 0.077 0.000 1.902 628 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 628 A C 2.373 179.942 177.584 -0.025 0.000 1.181 628 A CA 1.757 53.807 52.037 0.023 0.000 0.623 628 A CB -1.379 17.663 19.000 0.070 0.000 0.818 628 A HN 0.562 nan 8.150 nan 0.000 0.443 629 A N -0.178 122.649 122.820 0.011 0.000 1.930 629 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 629 A C 2.109 179.666 177.584 -0.046 0.000 1.175 629 A CA 1.361 53.420 52.037 0.037 0.000 0.627 629 A CB -0.559 18.492 19.000 0.086 0.000 0.815 629 A HN 0.485 nan 8.150 nan 0.000 0.443 630 I N -0.954 119.543 120.570 -0.122 0.000 2.208 630 I HA -0.287 3.883 4.170 -0.000 0.000 0.245 630 I C 2.782 178.769 176.117 -0.216 0.000 1.097 630 I CA 1.696 62.889 61.300 -0.178 0.000 1.363 630 I CB -0.247 37.604 38.000 -0.248 0.000 1.051 630 I HN 0.326 nan 8.210 nan 0.000 0.413 631 Q N 0.561 120.178 119.800 -0.306 0.000 2.119 631 Q HA -0.220 4.120 4.340 -0.000 0.000 0.201 631 Q C 2.098 178.026 176.000 -0.118 0.000 0.972 631 Q CA 1.456 57.109 55.803 -0.250 0.000 0.847 631 Q CB -0.190 28.385 28.738 -0.271 0.000 0.903 631 Q HN 0.286 nan 8.270 nan 0.000 0.433 632 E N -0.130 120.022 120.200 -0.079 0.000 2.106 632 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 632 E C 1.750 178.334 176.600 -0.027 0.000 0.984 632 E CA 0.861 57.241 56.400 -0.033 0.000 0.806 632 E CB 0.108 29.807 29.700 -0.001 0.000 0.750 632 E HN 0.155 nan 8.360 nan 0.000 0.458 633 R N 0.510 120.991 120.500 -0.032 0.000 2.096 633 R HA -0.036 4.304 4.340 -0.000 0.000 0.235 633 R C 2.317 178.597 176.300 -0.035 0.000 1.127 633 R CA 0.628 56.713 56.100 -0.024 0.000 0.968 633 R CB -0.561 29.720 30.300 -0.031 0.000 0.861 633 R HN 0.119 nan 8.270 nan 0.000 0.440 634 R N 0.498 120.965 120.500 -0.056 0.000 2.094 634 R HA -0.092 4.248 4.340 -0.000 0.000 0.239 634 R C 2.142 178.422 176.300 -0.034 0.000 1.137 634 R CA 1.647 57.717 56.100 -0.051 0.000 0.943 634 R CB -0.927 29.329 30.300 -0.073 0.000 0.850 634 R HN 0.241 nan 8.270 nan 0.000 0.433 635 A N 0.378 123.179 122.820 -0.032 0.000 1.903 635 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 635 A C 2.255 179.830 177.584 -0.015 0.000 1.191 635 A CA 2.100 54.125 52.037 -0.021 0.000 0.638 635 A CB -1.254 17.735 19.000 -0.019 0.000 0.823 635 A HN 0.486 nan 8.150 nan 0.000 0.451 636 G N -1.486 107.306 108.800 -0.013 0.000 2.740 636 G HA2 0.282 4.242 3.960 -0.000 0.000 0.208 636 G HA3 0.282 4.242 3.960 -0.000 0.000 0.208 636 G C 0.438 175.333 174.900 -0.009 0.000 1.148 636 G CA 0.517 45.612 45.100 -0.008 0.000 0.795 636 G HN 0.406 nan 8.290 nan 0.000 0.526 637 L N 0.000 121.216 121.223 -0.011 0.000 2.949 637 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 637 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 637 L CB 0.000 42.052 42.059 -0.012 0.000 0.961 637 L HN 0.000 nan 8.230 nan 0.000 0.502