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_F 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 56.492 56.400 0.154 0.000 0.976 28 E CB 0.000 29.781 29.700 0.135 0.000 0.812 29 T N 1.469 115.802 114.554 -0.368 0.000 2.852 29 T HA 0.603 4.954 4.350 0.000 0.000 0.281 29 T C 1.289 175.906 174.700 -0.139 0.000 0.993 29 T CA 0.463 62.397 62.100 -0.277 0.000 0.933 29 T CB 1.090 69.763 68.868 -0.325 0.000 1.187 29 T HN 0.552 nan 8.240 nan 0.000 0.559 30 A N 0.303 123.011 122.820 -0.187 0.000 1.930 30 A HA -0.013 4.308 4.320 0.000 0.000 0.217 30 A C 2.280 179.773 177.584 -0.151 0.000 1.175 30 A CA 1.068 52.931 52.037 -0.290 0.000 0.627 30 A CB -0.742 17.877 19.000 -0.635 0.000 0.815 30 A HN 0.900 nan 8.150 nan 0.000 0.443 31 W N -0.191 121.108 121.300 -0.001 0.000 2.388 31 W HA -0.127 4.533 4.660 0.000 0.000 0.294 31 W C 2.269 178.965 176.519 0.295 0.000 1.212 31 W CA 1.294 58.724 57.345 0.143 0.000 1.271 31 W CB -0.977 28.551 29.460 0.112 0.000 1.126 31 W HN 0.659 nan 8.180 nan 0.000 0.535 32 H N -0.207 119.044 119.070 0.301 0.000 2.256 32 H HA -0.082 4.474 4.556 0.000 0.000 0.299 32 H C 2.447 177.848 175.328 0.121 0.000 1.071 32 H CA 1.174 57.328 56.048 0.176 0.000 1.280 32 H CB -0.270 29.569 29.762 0.129 0.000 1.370 32 H HN -0.059 nan 8.280 nan 0.000 0.490 33 R N 0.225 120.864 120.500 0.231 0.000 2.133 33 R HA -0.245 4.095 4.340 0.000 0.000 0.247 33 R C 2.342 178.714 176.300 0.120 0.000 1.151 33 R CA 1.881 58.057 56.100 0.125 0.000 0.971 33 R CB -0.559 29.784 30.300 0.071 0.000 0.866 33 R HN 0.418 nan 8.270 nan 0.000 0.447 34 Y N 2.114 122.442 120.300 0.047 0.000 2.128 34 Y HA -0.231 4.319 4.550 0.000 0.000 0.284 34 Y C 2.138 178.071 175.900 0.056 0.000 1.154 34 Y CA 1.547 59.666 58.100 0.033 0.000 1.149 34 Y CB -0.161 38.311 38.460 0.020 0.000 0.976 34 Y HN -0.039 nan 8.280 nan 0.000 0.505 35 E N 0.891 121.018 120.200 -0.122 0.000 2.058 35 E HA -0.224 4.126 4.350 0.000 0.000 0.194 35 E C 1.994 178.485 176.600 -0.183 0.000 0.997 35 E CA 1.843 58.115 56.400 -0.214 0.000 0.801 35 E CB -0.373 29.327 29.700 -0.000 0.000 0.746 35 E HN 0.598 nan 8.360 nan 0.000 0.450 36 K N 0.578 120.933 120.400 -0.076 0.000 2.360 36 K HA -0.113 4.207 4.320 0.000 0.000 0.201 36 K C 1.977 178.530 176.600 -0.079 0.000 1.046 36 K CA 0.674 56.928 56.287 -0.055 0.000 0.945 36 K CB 0.041 32.538 32.500 -0.006 0.000 0.750 36 K HN 0.048 nan 8.250 nan 0.000 0.464 37 Q N 0.518 120.242 119.800 -0.126 0.000 2.389 37 Q HA 0.020 4.360 4.340 0.000 0.000 0.204 37 Q C 0.253 176.167 176.000 -0.143 0.000 0.944 37 Q CA 0.686 56.424 55.803 -0.108 0.000 0.908 37 Q CB 0.318 29.010 28.738 -0.076 0.000 1.002 37 Q HN 0.308 nan 8.270 nan 0.000 0.493 38 Q N 2.112 121.776 119.800 -0.226 0.000 2.313 38 Q HA 0.191 4.531 4.340 0.000 0.000 0.266 38 Q C -1.893 174.047 176.000 -0.100 0.000 0.989 38 Q CA -1.117 54.571 55.803 -0.191 0.000 0.890 38 Q CB 0.379 28.967 28.738 -0.251 0.000 1.200 38 Q HN 0.153 nan 8.270 nan 0.000 0.396 39 P HA 0.185 nan 4.420 nan 0.000 0.292 39 P C -0.768 176.512 177.300 -0.032 0.000 1.287 39 P CA -0.444 62.626 63.100 -0.050 0.000 0.800 39 P CB 1.107 32.791 31.700 -0.027 0.000 0.945 40 Q N 1.025 120.810 119.800 -0.025 0.000 2.373 40 Q HA 0.148 4.488 4.340 0.000 0.000 0.255 40 Q C 0.305 176.313 176.000 0.014 0.000 0.980 40 Q CA -0.391 55.413 55.803 0.001 0.000 0.882 40 Q CB 0.631 29.384 28.738 0.025 0.000 1.249 40 Q HN 0.560 nan 8.270 nan 0.000 0.438 41 C N 2.603 121.920 119.300 0.029 0.000 2.378 41 C HA -0.013 4.447 4.460 0.000 0.000 0.395 41 C C 1.830 176.842 174.990 0.036 0.000 1.476 41 C CA 0.564 59.615 59.018 0.055 0.000 1.541 41 C CB -0.784 27.005 27.740 0.081 0.000 2.524 41 C HN 0.999 nan 8.230 nan 0.000 0.595 42 G N 3.620 112.423 108.800 0.005 0.000 2.408 42 G HA2 -0.070 3.890 3.960 0.000 0.000 0.215 42 G HA3 -0.070 3.890 3.960 0.000 0.000 0.215 42 G C 1.141 175.966 174.900 -0.125 0.000 1.156 42 G CA 0.519 45.562 45.100 -0.093 0.000 0.793 42 G HN 0.776 nan 8.290 nan 0.000 0.535 43 F N 1.690 121.613 119.950 -0.046 0.000 2.126 43 F HA 0.006 4.534 4.527 0.000 0.000 0.299 43 F C 2.892 178.643 175.800 -0.083 0.000 1.096 43 F CA 1.139 59.097 58.000 -0.071 0.000 1.255 43 F CB -0.457 38.499 39.000 -0.073 0.000 0.997 43 F HN 0.192 nan 8.300 nan 0.000 0.479 44 G N -0.722 108.148 108.800 0.116 0.000 2.480 44 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 44 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 44 G C 1.848 176.733 174.900 -0.025 0.000 1.200 44 G CA 1.126 46.229 45.100 0.006 0.000 0.782 44 G HN 0.323 nan 8.290 nan 0.000 0.554 45 S N 1.054 116.749 115.700 -0.009 0.000 2.400 45 S HA -0.172 4.298 4.470 0.000 0.000 0.234 45 S C 2.573 177.155 174.600 -0.030 0.000 1.049 45 S CA 1.497 59.688 58.200 -0.016 0.000 1.039 45 S CB -0.370 62.823 63.200 -0.013 0.000 0.856 45 S HN 0.641 nan 8.310 nan 0.000 0.465 46 A N -0.031 122.763 122.820 -0.043 0.000 2.169 46 A HA 0.457 4.777 4.320 0.000 0.000 0.212 46 A C 1.735 179.295 177.584 -0.040 0.000 1.153 46 A CA 0.992 52.999 52.037 -0.051 0.000 0.756 46 A CB -0.738 18.207 19.000 -0.090 0.000 0.813 46 A HN 1.036 nan 8.150 nan 0.000 0.471 47 G N -1.133 107.638 108.800 -0.049 0.000 2.143 47 G HA2 -0.216 3.744 3.960 0.000 0.000 0.248 47 G HA3 -0.216 3.744 3.960 0.000 0.000 0.248 47 G C 0.352 175.225 174.900 -0.045 0.000 0.991 47 G CA 0.379 45.433 45.100 -0.076 0.000 0.689 47 G HN 0.517 nan 8.290 nan 0.000 0.522 48 L N 0.178 121.405 121.223 0.007 0.000 2.851 48 L HA 0.446 4.786 4.340 0.000 0.000 0.237 48 L C 0.992 177.903 176.870 0.068 0.000 1.257 48 L CA -0.232 54.645 54.840 0.062 0.000 1.061 48 L CB 0.223 42.358 42.059 0.127 0.000 1.372 48 L HN 0.422 nan 8.230 nan 0.000 0.493 49 C N -0.590 118.698 119.300 -0.020 0.000 2.888 49 C HA 0.723 5.183 4.460 0.000 0.000 0.308 49 C C -0.718 174.217 174.990 -0.092 0.000 1.213 49 C CA -1.051 57.925 59.018 -0.071 0.000 1.461 49 C CB 1.339 29.037 27.740 -0.070 0.000 1.934 49 C HN 0.520 nan 8.230 nan 0.000 0.474 50 C N 5.941 125.194 119.300 -0.077 0.000 2.516 50 C HA 0.703 5.163 4.460 0.000 0.000 0.338 50 C C 0.135 175.096 174.990 -0.048 0.000 1.132 50 C CA -0.430 58.556 59.018 -0.052 0.000 1.310 50 C CB 0.616 28.338 27.740 -0.030 0.000 1.898 50 C HN 1.052 nan 8.230 nan 0.000 0.452 51 R N 4.572 125.053 120.500 -0.032 0.000 2.748 51 R HA 0.282 4.622 4.340 0.000 0.000 0.395 51 R C 0.976 177.261 176.300 -0.025 0.000 1.128 51 R CA -0.173 55.908 56.100 -0.032 0.000 1.042 51 R CB 0.254 30.538 30.300 -0.026 0.000 1.392 51 R HN 0.767 nan 8.270 nan 0.000 0.582 52 I N 0.573 121.125 120.570 -0.030 0.000 2.614 52 I HA -0.164 4.006 4.170 0.000 0.000 0.258 52 I C 1.124 177.186 176.117 -0.091 0.000 1.189 52 I CA 0.738 62.009 61.300 -0.047 0.000 1.462 52 I CB 0.045 38.015 38.000 -0.050 0.000 1.092 52 I HN 0.366 nan 8.210 nan 0.000 0.442 53 C N -2.331 116.920 119.300 -0.082 0.000 3.291 53 C HA 0.382 4.842 4.460 0.000 0.000 0.316 53 C C 1.164 176.120 174.990 -0.056 0.000 1.391 53 C CA -1.089 57.876 59.018 -0.088 0.000 1.394 53 C CB 0.970 28.637 27.740 -0.121 0.000 1.744 53 C HN 0.181 nan 8.230 nan 0.000 0.461 54 L N 0.673 121.869 121.223 -0.045 0.000 2.552 54 L HA 0.057 4.397 4.340 0.000 0.000 0.227 54 L C 2.316 179.166 176.870 -0.034 0.000 1.146 54 L CA 0.831 55.651 54.840 -0.033 0.000 0.858 54 L CB -0.541 41.504 42.059 -0.023 0.000 0.969 54 L HN 0.792 nan 8.230 nan 0.000 0.451 55 K N 0.484 120.861 120.400 -0.038 0.000 2.504 55 K HA 0.014 4.334 4.320 0.000 0.000 0.195 55 K C 1.216 177.794 176.600 -0.038 0.000 1.036 55 K CA 0.320 56.586 56.287 -0.034 0.000 0.984 55 K CB 0.083 32.563 32.500 -0.033 0.000 0.788 55 K HN 0.353 nan 8.250 nan 0.000 0.488 56 G N 1.955 110.729 108.800 -0.043 0.000 2.606 56 G HA2 0.243 4.203 3.960 0.000 0.000 0.262 56 G HA3 0.243 4.203 3.960 0.000 0.000 0.262 56 G C -2.512 172.356 174.900 -0.052 0.000 1.394 56 G CA -0.889 44.180 45.100 -0.051 0.000 1.044 56 G HN -0.043 nan 8.290 nan 0.000 0.553 57 P HA 0.301 nan 4.420 nan 0.000 0.282 57 P C -0.664 176.574 177.300 -0.103 0.000 1.262 57 P CA -0.203 62.849 63.100 -0.079 0.000 0.773 57 P CB 0.738 32.387 31.700 -0.085 0.000 0.879 58 C N 5.070 124.314 119.300 -0.093 0.000 2.388 58 C HA 0.536 4.996 4.460 0.000 0.000 0.362 58 C C 1.064 175.970 174.990 -0.140 0.000 1.266 58 C CA -0.481 58.477 59.018 -0.100 0.000 2.028 58 C CB 0.020 27.727 27.740 -0.056 0.000 2.440 58 C HN 0.627 nan 8.230 nan 0.000 0.547 59 R N 2.586 122.964 120.500 -0.202 0.000 2.854 59 R HA 0.809 5.149 4.340 0.000 0.000 0.271 59 R C -1.548 174.670 176.300 -0.136 0.000 0.994 59 R CA -0.702 55.238 56.100 -0.267 0.000 0.945 59 R CB 1.039 30.882 30.300 -0.762 0.000 1.194 59 R HN 0.407 nan 8.270 nan 0.000 0.476 60 I N 1.651 122.222 120.570 0.001 0.000 2.378 60 I HA 0.151 4.322 4.170 0.000 0.000 0.291 60 I C -0.666 175.505 176.117 0.090 0.000 0.992 60 I CA -0.824 60.484 61.300 0.013 0.000 1.154 60 I CB 1.363 39.353 38.000 -0.017 0.000 1.315 60 I HN 0.739 nan 8.210 nan 0.000 0.448 61 D N 9.675 130.079 120.400 0.007 0.000 2.393 61 D HA 0.243 4.883 4.640 0.000 0.000 0.232 61 D C -1.267 174.879 176.300 -0.257 0.000 1.192 61 D CA -1.764 52.194 54.000 -0.069 0.000 0.882 61 D CB 1.405 42.193 40.800 -0.021 0.000 1.038 61 D HN 0.244 nan 8.370 nan 0.000 0.499 62 P HA -0.207 nan 4.420 nan 0.000 0.215 62 P C 0.800 177.891 177.300 -0.348 0.000 1.157 62 P CA 1.554 64.349 63.100 -0.507 0.000 0.874 62 P CB 0.005 31.244 31.700 -0.769 0.000 0.790 63 F N -1.218 118.716 119.950 -0.026 0.000 2.534 63 F HA 0.505 5.032 4.527 0.000 0.000 0.274 63 F C 2.305 178.093 175.800 -0.019 0.000 0.917 63 F CA 0.159 58.144 58.000 -0.025 0.000 1.145 63 F CB -1.913 37.070 39.000 -0.028 0.000 1.145 63 F HN -0.204 nan 8.300 nan 0.000 0.746 64 G N 1.874 110.964 108.800 0.482 0.000 3.241 64 G HA2 -0.142 3.818 3.960 0.000 0.000 0.197 64 G HA3 -0.142 3.818 3.960 0.000 0.000 0.197 64 G C 0.342 175.305 174.900 0.106 0.000 1.198 64 G CA 0.634 45.882 45.100 0.247 0.000 1.156 64 G HN 0.713 nan 8.290 nan 0.000 0.516 65 E N -2.228 118.011 120.200 0.065 0.000 2.038 65 E HA -0.224 4.127 4.350 0.000 0.000 0.181 65 E C 0.901 177.504 176.600 0.004 0.000 1.383 65 E CA 0.219 56.627 56.400 0.014 0.000 0.677 65 E CB -1.748 27.962 29.700 0.017 0.000 1.051 65 E HN 0.438 nan 8.360 nan 0.000 0.317 66 G N 1.728 110.526 108.800 -0.004 0.000 3.329 66 G HA2 0.406 4.366 3.960 0.000 0.000 0.180 66 G HA3 0.406 4.366 3.960 0.000 0.000 0.180 66 G C -2.138 172.740 174.900 -0.037 0.000 1.640 66 G CA -0.222 44.875 45.100 -0.004 0.000 1.018 66 G HN 0.349 nan 8.290 nan 0.000 0.581 67 P HA 0.404 nan 4.420 nan 0.000 0.282 67 P C -0.861 176.367 177.300 -0.121 0.000 1.262 67 P CA -0.100 62.962 63.100 -0.064 0.000 0.773 67 P CB 2.104 33.772 31.700 -0.054 0.000 0.879 68 K N 1.854 122.122 120.400 -0.219 0.000 2.355 68 K HA 0.243 4.563 4.320 0.000 0.000 0.198 68 K C -0.093 176.183 176.600 -0.540 0.000 1.039 68 K CA 0.432 56.458 56.287 -0.435 0.000 1.075 68 K CB 0.178 32.277 32.500 -0.667 0.000 0.870 68 K HN 0.506 nan 8.250 nan 0.000 0.540 69 Y N -1.702 118.587 120.300 -0.019 0.000 2.638 69 Y HA 0.573 5.123 4.550 0.000 0.000 0.339 69 Y C 0.730 176.612 175.900 -0.030 0.000 1.084 69 Y CA -1.827 56.261 58.100 -0.021 0.000 1.068 69 Y CB 1.618 40.069 38.460 -0.015 0.000 1.294 69 Y HN -0.127 nan 8.280 nan 0.000 0.480 70 G N -0.134 108.766 108.800 0.166 0.000 2.477 70 G HA2 0.381 4.341 3.960 0.000 0.000 0.304 70 G HA3 0.381 4.341 3.960 0.000 0.000 0.304 70 G C 0.474 175.401 174.900 0.045 0.000 1.175 70 G CA -0.606 44.530 45.100 0.060 0.000 0.907 70 G HN 0.525 nan 8.290 nan 0.000 0.509 71 V N 0.231 120.151 119.914 0.011 0.000 2.828 71 V HA -0.225 3.896 4.120 0.000 0.000 0.260 71 V C 2.715 178.803 176.094 -0.010 0.000 1.101 71 V CA 1.968 64.269 62.300 0.001 0.000 1.123 71 V CB -0.961 30.855 31.823 -0.012 0.000 0.704 71 V HN 0.925 nan 8.190 nan 0.000 0.493 72 C N -1.182 118.108 119.300 -0.016 0.000 2.673 72 C HA 0.635 5.095 4.460 0.000 0.000 0.264 72 C C 1.981 176.941 174.990 -0.050 0.000 1.304 72 C CA 0.095 59.096 59.018 -0.030 0.000 1.727 72 C CB -0.246 27.475 27.740 -0.031 0.000 1.932 72 C HN 0.756 nan 8.230 nan 0.000 0.563 73 G N 0.441 109.208 108.800 -0.055 0.000 2.201 73 G HA2 0.158 4.118 3.960 0.000 0.000 0.212 73 G HA3 0.158 4.118 3.960 0.000 0.000 0.212 73 G C 0.270 175.094 174.900 -0.128 0.000 0.994 73 G CA 0.100 45.107 45.100 -0.156 0.000 0.644 73 G HN 1.433 nan 8.290 nan 0.000 0.508 74 A N 1.342 124.153 122.820 -0.016 0.000 2.511 74 A HA 0.501 4.821 4.320 0.000 0.000 0.242 74 A C 0.608 178.278 177.584 0.145 0.000 1.069 74 A CA 0.783 52.840 52.037 0.033 0.000 0.763 74 A CB 0.140 19.156 19.000 0.027 0.000 1.001 74 A HN 0.697 nan 8.150 nan 0.000 0.498 75 D N 2.177 122.678 120.400 0.168 0.000 2.326 75 D HA 0.190 4.830 4.640 0.000 0.000 0.251 75 D C 1.226 177.592 176.300 0.111 0.000 1.023 75 D CA -0.652 53.498 54.000 0.250 0.000 0.966 75 D CB 0.646 41.622 40.800 0.292 0.000 1.156 75 D HN 0.651 nan 8.370 nan 0.000 0.494 76 R N 0.680 121.220 120.500 0.067 0.000 2.133 76 R HA -0.224 4.116 4.340 0.000 0.000 0.247 76 R C 0.520 176.839 176.300 0.033 0.000 1.151 76 R CA 1.518 57.635 56.100 0.028 0.000 0.971 76 R CB -0.688 29.609 30.300 -0.006 0.000 0.866 76 R HN 0.400 nan 8.270 nan 0.000 0.447 77 D N 0.688 121.114 120.400 0.044 0.000 2.084 77 D HA -0.098 4.542 4.640 0.000 0.000 0.194 77 D C 1.870 178.196 176.300 0.043 0.000 0.990 77 D CA 1.989 56.013 54.000 0.040 0.000 0.826 77 D CB -0.517 40.310 40.800 0.044 0.000 0.971 77 D HN 0.287 nan 8.370 nan 0.000 0.453 78 T N 1.973 116.556 114.554 0.049 0.000 2.622 78 T HA -0.127 4.223 4.350 0.000 0.000 0.266 78 T C 2.299 177.025 174.700 0.044 0.000 1.047 78 T CA 0.767 62.894 62.100 0.044 0.000 1.159 78 T CB -0.440 68.453 68.868 0.041 0.000 0.863 78 T HN 0.127 nan 8.240 nan 0.000 0.422 79 I N 0.896 121.492 120.570 0.043 0.000 2.113 79 I HA -0.220 3.950 4.170 0.000 0.000 0.242 79 I C 2.497 178.642 176.117 0.046 0.000 1.064 79 I CA 1.305 62.627 61.300 0.037 0.000 1.320 79 I CB -0.598 37.416 38.000 0.024 0.000 1.028 79 I HN 0.109 nan 8.210 nan 0.000 0.406 80 V N 0.846 120.783 119.914 0.039 0.000 2.490 80 V HA -0.269 3.851 4.120 0.000 0.000 0.250 80 V C 2.619 178.753 176.094 0.067 0.000 1.061 80 V CA 1.865 64.192 62.300 0.045 0.000 1.064 80 V CB -0.978 30.859 31.823 0.024 0.000 0.670 80 V HN 0.506 nan 8.190 nan 0.000 0.461 81 A N 0.507 123.360 122.820 0.055 0.000 1.855 81 A HA -0.195 4.125 4.320 0.000 0.000 0.215 81 A C 2.349 179.967 177.584 0.057 0.000 1.191 81 A CA 1.719 53.786 52.037 0.052 0.000 0.613 81 A CB -0.465 18.562 19.000 0.046 0.000 0.829 81 A HN 0.498 nan 8.150 nan 0.000 0.442 82 R N -1.327 119.210 120.500 0.062 0.000 2.091 82 R HA -0.192 4.148 4.340 0.000 0.000 0.238 82 R C 2.234 178.570 176.300 0.061 0.000 1.136 82 R CA 1.792 57.926 56.100 0.058 0.000 0.959 82 R CB -0.681 29.654 30.300 0.058 0.000 0.856 82 R HN 0.801 nan 8.270 nan 0.000 0.437 83 H N 0.258 119.329 119.070 0.002 0.000 2.387 83 H HA -0.025 4.531 4.556 0.000 0.000 0.299 83 H C 1.827 177.149 175.328 -0.010 0.000 1.090 83 H CA 1.268 57.312 56.048 -0.005 0.000 1.332 83 H CB 0.022 29.779 29.762 -0.009 0.000 1.386 83 H HN 0.019 nan 8.280 nan 0.000 0.516 84 L N 0.028 121.250 121.223 -0.002 0.000 2.017 84 L HA -0.140 4.200 4.340 0.000 0.000 0.208 84 L C 2.365 179.189 176.870 -0.077 0.000 1.073 84 L CA 1.231 56.037 54.840 -0.056 0.000 0.745 84 L CB -0.874 41.180 42.059 -0.009 0.000 0.894 84 L HN 0.297 nan 8.230 nan 0.000 0.432 85 V N 0.051 119.946 119.914 -0.033 0.000 2.261 85 V HA -0.301 3.819 4.120 0.000 0.000 0.246 85 V C 2.643 178.713 176.094 -0.041 0.000 1.047 85 V CA 1.775 64.067 62.300 -0.013 0.000 1.015 85 V CB -0.565 31.268 31.823 0.017 0.000 0.642 85 V HN 0.438 nan 8.190 nan 0.000 0.446 86 R N -0.883 119.576 120.500 -0.069 0.000 2.159 86 R HA -0.130 4.210 4.340 0.000 0.000 0.237 86 R C 2.271 178.495 176.300 -0.127 0.000 1.131 86 R CA 1.493 57.543 56.100 -0.082 0.000 0.982 86 R CB -0.319 29.933 30.300 -0.079 0.000 0.868 86 R HN 0.479 nan 8.270 nan 0.000 0.453 87 M N -0.206 119.276 119.600 -0.196 0.000 2.200 87 M HA -0.106 4.374 4.480 0.000 0.000 0.265 87 M C 2.057 178.297 176.300 -0.100 0.000 1.066 87 M CA 1.505 56.693 55.300 -0.186 0.000 1.127 87 M CB -0.039 32.418 32.600 -0.238 0.000 1.379 87 M HN 0.136 nan 8.290 nan 0.000 0.420 88 I N -0.077 120.455 120.570 -0.064 0.000 2.202 88 I HA -0.216 3.954 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 1.103 62.394 61.300 -0.014 0.000 1.368 88 I CB -0.598 37.415 38.000 0.023 0.000 1.058 88 I HN 0.217 nan 8.210 nan 0.000 0.410 89 A N 0.935 123.751 122.820 -0.007 0.000 1.948 89 A HA -0.227 4.093 4.320 0.000 0.000 0.220 89 A C 2.527 180.103 177.584 -0.013 0.000 1.177 89 A CA 2.087 54.125 52.037 0.001 0.000 0.636 89 A CB -0.833 18.169 19.000 0.002 0.000 0.815 89 A HN 0.456 nan 8.150 nan 0.000 0.449 90 A N -0.672 122.125 122.820 -0.037 0.000 1.930 90 A HA 0.162 4.482 4.320 0.000 0.000 0.217 90 A C 2.393 179.939 177.584 -0.064 0.000 1.175 90 A CA 1.830 53.837 52.037 -0.050 0.000 0.627 90 A CB -1.280 17.679 19.000 -0.068 0.000 0.815 90 A HN 0.725 nan 8.150 nan 0.000 0.443 91 G N -1.169 107.590 108.800 -0.067 0.000 2.408 91 G HA2 -0.113 3.847 3.960 0.000 0.000 0.217 91 G HA3 -0.113 3.847 3.960 0.000 0.000 0.217 91 G C 1.560 176.425 174.900 -0.060 0.000 1.150 91 G CA 1.593 46.634 45.100 -0.099 0.000 0.776 91 G HN 0.417 nan 8.290 nan 0.000 0.542 92 T N 1.753 116.320 114.554 0.021 0.000 2.674 92 T HA -0.025 4.326 4.350 0.000 0.000 0.265 92 T C 2.830 177.556 174.700 0.042 0.000 1.039 92 T CA 1.595 63.737 62.100 0.069 0.000 1.150 92 T CB -0.438 68.461 68.868 0.051 0.000 0.864 92 T HN 0.358 nan 8.240 nan 0.000 0.427 93 A N 1.281 124.108 122.820 0.012 0.000 1.978 93 A HA 0.094 4.414 4.320 0.000 0.000 0.220 93 A C 2.571 180.158 177.584 0.006 0.000 1.170 93 A CA 1.914 53.962 52.037 0.018 0.000 0.636 93 A CB -0.972 18.032 19.000 0.007 0.000 0.810 93 A HN 0.523 nan 8.150 nan 0.000 0.448 94 A N -1.009 121.781 122.820 -0.050 0.000 1.872 94 A HA -0.117 4.204 4.320 0.000 0.000 0.214 94 A C 1.965 179.529 177.584 -0.033 0.000 1.187 94 A CA 1.625 53.602 52.037 -0.101 0.000 0.614 94 A CB -0.885 17.979 19.000 -0.226 0.000 0.826 94 A HN 0.717 nan 8.150 nan 0.000 0.442 95 H N -0.134 118.951 119.070 0.025 0.000 2.326 95 H HA -0.118 4.438 4.556 0.000 0.000 0.301 95 H C 2.814 178.178 175.328 0.059 0.000 1.081 95 H CA 1.675 57.764 56.048 0.068 0.000 1.334 95 H CB 0.087 29.894 29.762 0.075 0.000 1.385 95 H HN 0.679 nan 8.280 nan 0.000 0.504 96 S N 0.787 116.594 115.700 0.178 0.000 2.365 96 S HA -0.267 4.204 4.470 0.000 0.000 0.225 96 S C 2.094 176.800 174.600 0.178 0.000 1.039 96 S CA 1.797 60.104 58.200 0.178 0.000 1.033 96 S CB -0.226 63.066 63.200 0.153 0.000 0.887 96 S HN 0.375 nan 8.310 nan 0.000 0.447 97 E N 0.788 121.028 120.200 0.066 0.000 2.267 97 E HA -0.184 4.166 4.350 0.000 0.000 0.197 97 E C 1.799 178.216 176.600 -0.306 0.000 0.998 97 E CA 1.599 57.915 56.400 -0.140 0.000 0.830 97 E CB -0.605 29.026 29.700 -0.116 0.000 0.751 97 E HN 0.913 nan 8.360 nan 0.000 0.491 98 H N -1.776 117.207 119.070 -0.145 0.000 2.333 98 H HA -0.005 4.551 4.556 0.000 0.000 0.302 98 H C 1.927 177.240 175.328 -0.025 0.000 1.075 98 H CA 0.987 57.005 56.048 -0.051 0.000 1.348 98 H CB -0.045 29.768 29.762 0.084 0.000 1.393 98 H HN 0.267 nan 8.280 nan 0.000 0.509 99 G N 0.883 109.663 108.800 -0.033 0.000 2.433 99 G HA2 -0.283 3.677 3.960 0.000 0.000 0.216 99 G HA3 -0.283 3.677 3.960 0.000 0.000 0.216 99 G C 1.782 176.645 174.900 -0.062 0.000 1.186 99 G CA 0.474 45.524 45.100 -0.083 0.000 0.779 99 G HN 0.322 nan 8.290 nan 0.000 0.543 100 R N 0.009 120.420 120.500 -0.149 0.000 2.140 100 R HA -0.218 4.122 4.340 0.000 0.000 0.250 100 R C 2.227 178.404 176.300 -0.205 0.000 1.150 100 R CA 2.183 57.978 56.100 -0.509 0.000 0.966 100 R CB -0.685 29.226 30.300 -0.649 0.000 0.869 100 R HN 0.662 nan 8.270 nan 0.000 0.445 101 H N -0.530 118.475 119.070 -0.108 0.000 2.319 101 H HA -0.124 4.432 4.556 0.000 0.000 0.299 101 H C 2.240 177.521 175.328 -0.078 0.000 1.092 101 H CA 1.621 57.628 56.048 -0.069 0.000 1.302 101 H CB -0.053 29.732 29.762 0.038 0.000 1.373 101 H HN 0.247 nan 8.280 nan 0.000 0.497 102 I N 0.493 121.127 120.570 0.107 0.000 2.439 102 I HA -0.185 3.985 4.170 0.000 0.000 0.251 102 I C 2.755 178.855 176.117 -0.029 0.000 1.139 102 I CA 0.617 61.948 61.300 0.052 0.000 1.438 102 I CB -0.228 37.820 38.000 0.081 0.000 1.085 102 I HN 0.282 nan 8.210 nan 0.000 0.427 103 A N 1.106 123.891 122.820 -0.059 0.000 1.933 103 A HA -0.120 4.200 4.320 0.000 0.000 0.218 103 A C 2.276 179.791 177.584 -0.116 0.000 1.175 103 A CA 1.298 53.297 52.037 -0.063 0.000 0.628 103 A CB -0.723 18.230 19.000 -0.077 0.000 0.814 103 A HN 0.392 nan 8.150 nan 0.000 0.444 104 L N -0.992 120.122 121.223 -0.181 0.000 2.291 104 L HA -0.113 4.227 4.340 0.000 0.000 0.214 104 L C 2.960 179.585 176.870 -0.408 0.000 1.120 104 L CA 0.708 55.372 54.840 -0.293 0.000 0.799 104 L CB -0.427 41.444 42.059 -0.313 0.000 0.925 104 L HN 0.446 nan 8.230 nan 0.000 0.446 105 A N -0.233 122.421 122.820 -0.276 0.000 1.929 105 A HA -0.163 4.157 4.320 0.000 0.000 0.216 105 A C 2.328 179.825 177.584 -0.144 0.000 1.176 105 A CA 1.141 53.020 52.037 -0.262 0.000 0.628 105 A CB -0.229 18.645 19.000 -0.209 0.000 0.816 105 A HN 0.203 nan 8.150 nan 0.000 0.444 106 M N -0.551 118.994 119.600 -0.091 0.000 2.067 106 M HA -0.197 4.283 4.480 0.000 0.000 0.260 106 M C 2.369 178.658 176.300 -0.018 0.000 1.069 106 M CA 2.047 57.326 55.300 -0.036 0.000 1.117 106 M CB -1.517 31.078 32.600 -0.008 0.000 1.334 106 M HN 0.712 nan 8.290 nan 0.000 0.407 107 Q N -0.088 119.690 119.800 -0.036 0.000 2.062 107 Q HA -0.242 4.098 4.340 0.000 0.000 0.209 107 Q C 1.923 177.986 176.000 0.106 0.000 0.996 107 Q CA 2.063 57.873 55.803 0.012 0.000 0.859 107 Q CB -0.275 28.452 28.738 -0.018 0.000 0.920 107 Q HN 0.658 nan 8.270 nan 0.000 0.415 108 H N -0.490 118.561 119.070 -0.033 0.000 2.387 108 H HA -0.085 4.471 4.556 0.000 0.000 0.299 108 H C 2.195 177.515 175.328 -0.014 0.000 1.090 108 H CA 0.992 57.027 56.048 -0.021 0.000 1.332 108 H CB 0.095 29.813 29.762 -0.073 0.000 1.386 108 H HN 0.317 nan 8.280 nan 0.000 0.516 109 I N 0.646 121.274 120.570 0.098 0.000 2.202 109 I HA -0.224 3.946 4.170 0.000 0.000 0.242 109 I C 2.303 178.449 176.117 0.048 0.000 1.091 109 I CA 1.292 62.628 61.300 0.060 0.000 1.368 109 I CB -0.220 37.798 38.000 0.029 0.000 1.058 109 I HN 0.249 nan 8.210 nan 0.000 0.410 110 S N -0.073 115.649 115.700 0.038 0.000 2.727 110 S HA -0.049 4.421 4.470 0.000 0.000 0.226 110 S C 1.195 175.813 174.600 0.030 0.000 0.963 110 S CA 0.398 58.612 58.200 0.024 0.000 0.950 110 S CB -0.230 62.977 63.200 0.012 0.000 0.779 110 S HN 0.540 nan 8.310 nan 0.000 0.532 111 Q N -0.541 119.285 119.800 0.044 0.000 2.103 111 Q HA 0.340 4.680 4.340 0.000 0.000 0.219 111 Q C 1.123 177.140 176.000 0.028 0.000 0.784 111 Q CA 0.160 55.984 55.803 0.035 0.000 1.014 111 Q CB 1.012 29.777 28.738 0.045 0.000 1.183 111 Q HN 0.653 nan 8.270 nan 0.000 0.469 112 G N 1.405 110.228 108.800 0.037 0.000 2.205 112 G HA2 -0.293 3.667 3.960 0.000 0.000 0.261 112 G HA3 -0.293 3.667 3.960 0.000 0.000 0.261 112 G C -0.102 174.835 174.900 0.063 0.000 0.980 112 G CA 0.201 45.323 45.100 0.036 0.000 0.632 112 G HN 0.345 nan 8.290 nan 0.000 0.533 113 E N -0.378 119.863 120.200 0.068 0.000 2.283 113 E HA 0.652 5.002 4.350 0.000 0.000 0.278 113 E C 0.174 176.841 176.600 0.112 0.000 1.027 113 E CA -0.646 55.813 56.400 0.098 0.000 0.843 113 E CB 1.043 30.756 29.700 0.022 0.000 1.062 113 E HN 0.561 nan 8.360 nan 0.000 0.401 114 L N 3.488 124.808 121.223 0.162 0.000 2.411 114 L HA -0.163 4.177 4.340 0.000 0.000 0.718 114 L C 0.641 177.625 176.870 0.190 0.000 1.181 114 L CA 0.116 54.997 54.840 0.069 0.000 1.407 114 L CB -1.567 40.436 42.059 -0.093 0.000 2.162 114 L HN 0.825 nan 8.230 nan 0.000 0.965 115 H N -1.531 117.595 119.070 0.093 0.000 2.547 115 H HA 0.116 4.672 4.556 0.000 0.000 0.272 115 H C 1.047 176.427 175.328 0.087 0.000 0.989 115 H CA 0.764 56.859 56.048 0.078 0.000 1.214 115 H CB 0.144 29.935 29.762 0.048 0.000 1.389 115 H HN 0.526 nan 8.280 nan 0.000 0.577 116 D N 0.464 120.872 120.400 0.013 0.000 2.310 116 D HA -0.028 4.612 4.640 0.000 0.000 0.212 116 D C -0.081 176.130 176.300 -0.149 0.000 0.965 116 D CA 0.747 54.721 54.000 -0.044 0.000 0.879 116 D CB -0.013 40.767 40.800 -0.033 0.000 0.921 116 D HN 0.342 nan 8.370 nan 0.000 0.510 117 Y N -0.829 119.462 120.300 -0.015 0.000 2.659 117 Y HA 0.548 5.098 4.550 0.000 0.000 0.333 117 Y C 0.738 176.615 175.900 -0.040 0.000 1.064 117 Y CA -1.215 56.862 58.100 -0.038 0.000 1.141 117 Y CB 1.765 40.188 38.460 -0.061 0.000 1.316 117 Y HN -0.205 nan 8.280 nan 0.000 0.509 118 S N -0.494 115.246 115.700 0.066 0.000 2.653 118 S HA 0.416 4.886 4.470 0.000 0.000 0.264 118 S C -2.349 172.226 174.600 -0.042 0.000 1.070 118 S CA -1.033 57.180 58.200 0.022 0.000 0.885 118 S CB 0.185 63.398 63.200 0.022 0.000 1.157 118 S HN 0.378 nan 8.310 nan 0.000 0.479 119 I N 2.665 123.220 120.570 -0.024 0.000 2.322 119 I HA 0.409 4.579 4.170 0.000 0.000 0.292 119 I C 1.397 177.501 176.117 -0.023 0.000 1.060 119 I CA -0.297 60.982 61.300 -0.035 0.000 1.309 119 I CB 0.769 38.767 38.000 -0.004 0.000 1.415 119 I HN 0.678 nan 8.210 nan 0.000 0.492 120 R N 3.048 123.518 120.500 -0.049 0.000 2.297 120 R HA 0.085 4.425 4.340 0.000 0.000 0.197 120 R C -0.426 175.881 176.300 0.011 0.000 0.943 120 R CA 0.317 56.408 56.100 -0.014 0.000 1.038 120 R CB -0.085 30.210 30.300 -0.008 0.000 0.957 120 R HN 0.583 nan 8.270 nan 0.000 0.484 121 D N -0.447 119.964 120.400 0.019 0.000 2.328 121 D HA 0.117 4.757 4.640 0.000 0.000 0.243 121 D C 0.090 176.437 176.300 0.079 0.000 1.324 121 D CA -0.108 53.917 54.000 0.042 0.000 0.966 121 D CB 1.088 41.912 40.800 0.040 0.000 1.324 121 D HN -0.182 nan 8.370 nan 0.000 0.549 122 E N 1.348 121.616 120.200 0.114 0.000 2.110 122 E HA -0.161 4.189 4.350 0.000 0.000 0.193 122 E C 2.000 178.790 176.600 0.316 0.000 0.988 122 E CA 1.152 57.697 56.400 0.242 0.000 0.804 122 E CB 0.180 30.053 29.700 0.288 0.000 0.745 122 E HN 0.537 nan 8.360 nan 0.000 0.458 123 A N 1.239 124.146 122.820 0.146 0.000 1.883 123 A HA -0.263 4.057 4.320 0.000 0.000 0.217 123 A C 2.069 179.734 177.584 0.134 0.000 1.186 123 A CA 1.913 54.009 52.037 0.099 0.000 0.624 123 A CB -0.385 18.631 19.000 0.027 0.000 0.822 123 A HN 0.018 nan 8.150 nan 0.000 0.444 124 K N -0.589 119.875 120.400 0.106 0.000 2.211 124 K HA -0.029 4.291 4.320 0.000 0.000 0.203 124 K C 1.633 178.299 176.600 0.109 0.000 1.050 124 K CA 1.150 57.493 56.287 0.094 0.000 0.945 124 K CB -0.482 32.063 32.500 0.075 0.000 0.732 124 K HN 0.367 nan 8.250 nan 0.000 0.451 125 L N -0.439 120.859 121.223 0.124 0.000 2.023 125 L HA -0.052 4.288 4.340 0.000 0.000 0.205 125 L C 1.675 178.563 176.870 0.030 0.000 1.073 125 L CA 1.610 56.483 54.840 0.055 0.000 0.745 125 L CB -0.642 41.405 42.059 -0.020 0.000 0.900 125 L HN 0.176 nan 8.230 nan 0.000 0.435 126 Y N -0.069 120.233 120.300 0.005 0.000 2.207 126 Y HA -0.241 4.309 4.550 0.000 0.000 0.287 126 Y C 2.554 178.449 175.900 -0.009 0.000 1.156 126 Y CA 1.364 59.461 58.100 -0.005 0.000 1.182 126 Y CB -1.316 37.140 38.460 -0.006 0.000 0.979 126 Y HN 0.317 nan 8.280 nan 0.000 0.521 127 A N 0.390 123.310 122.820 0.166 0.000 1.865 127 A HA -0.202 4.119 4.320 0.000 0.000 0.217 127 A C 2.274 179.886 177.584 0.046 0.000 1.191 127 A CA 2.047 54.137 52.037 0.089 0.000 0.623 127 A CB -1.156 17.891 19.000 0.079 0.000 0.826 127 A HN 0.478 nan 8.150 nan 0.000 0.444 128 I N -0.294 120.305 120.570 0.048 0.000 2.286 128 I HA -0.288 3.882 4.170 0.000 0.000 0.248 128 I C 2.927 178.996 176.117 -0.080 0.000 1.115 128 I CA 0.973 62.283 61.300 0.016 0.000 1.392 128 I CB -0.289 37.765 38.000 0.091 0.000 1.065 128 I HN 0.381 nan 8.210 nan 0.000 0.418 129 A N 0.638 123.421 122.820 -0.063 0.000 1.902 129 A HA -0.259 4.061 4.320 0.000 0.000 0.217 129 A C 2.369 179.902 177.584 -0.085 0.000 1.181 129 A CA 1.865 53.841 52.037 -0.101 0.000 0.623 129 A CB -0.503 18.433 19.000 -0.107 0.000 0.818 129 A HN 0.325 nan 8.150 nan 0.000 0.443 130 K N -0.890 119.489 120.400 -0.035 0.000 2.032 130 K HA -0.152 4.168 4.320 0.000 0.000 0.209 130 K C 1.962 178.528 176.600 -0.057 0.000 1.048 130 K CA 2.019 58.291 56.287 -0.026 0.000 0.927 130 K CB -0.318 32.187 32.500 0.009 0.000 0.712 130 K HN 0.464 nan 8.250 nan 0.000 0.441 131 T N 1.113 115.625 114.554 -0.070 0.000 2.904 131 T HA -0.064 4.286 4.350 0.000 0.000 0.267 131 T C 1.419 176.026 174.700 -0.155 0.000 1.059 131 T CA 0.682 62.728 62.100 -0.090 0.000 1.137 131 T CB 0.007 68.833 68.868 -0.070 0.000 0.879 131 T HN 0.053 nan 8.240 nan 0.000 0.467 132 L N 0.432 121.519 121.223 -0.226 0.000 2.395 132 L HA 0.299 4.639 4.340 0.000 0.000 0.218 132 L C 1.952 178.704 176.870 -0.197 0.000 1.130 132 L CA 1.010 55.668 54.840 -0.303 0.000 0.826 132 L CB -0.995 40.798 42.059 -0.443 0.000 0.941 132 L HN 0.515 nan 8.230 nan 0.000 0.451 133 G N -1.263 107.454 108.800 -0.138 0.000 2.131 133 G HA2 -0.203 3.757 3.960 0.000 0.000 0.223 133 G HA3 -0.203 3.757 3.960 0.000 0.000 0.223 133 G C 0.171 175.019 174.900 -0.087 0.000 0.990 133 G CA 0.094 45.135 45.100 -0.097 0.000 0.671 133 G HN 0.101 nan 8.290 nan 0.000 0.521 134 V N 0.888 120.744 119.914 -0.097 0.000 2.567 134 V HA 0.739 4.860 4.120 0.000 0.000 0.289 134 V C 1.052 177.111 176.094 -0.059 0.000 1.049 134 V CA -0.068 62.182 62.300 -0.083 0.000 0.969 134 V CB 1.658 33.418 31.823 -0.105 0.000 0.995 134 V HN 1.135 nan 8.190 nan 0.000 0.471 135 A N 3.121 125.913 122.820 -0.046 0.000 2.409 135 A HA 0.506 4.826 4.320 0.000 0.000 0.262 135 A C 1.007 178.578 177.584 -0.023 0.000 1.113 135 A CA 0.431 52.453 52.037 -0.025 0.000 0.790 135 A CB 0.343 19.331 19.000 -0.019 0.000 1.046 135 A HN 1.062 nan 8.150 nan 0.000 0.496 136 T N -0.336 114.230 114.554 0.020 0.000 2.987 136 T HA 0.178 4.529 4.350 0.000 0.000 0.248 136 T C 0.481 175.249 174.700 0.112 0.000 0.997 136 T CA 0.112 62.254 62.100 0.071 0.000 1.013 136 T CB -0.448 68.558 68.868 0.231 0.000 1.077 136 T HN 0.664 nan 8.240 nan 0.000 0.483 137 E N 1.891 122.136 120.200 0.076 0.000 2.729 137 E HA 0.316 4.666 4.350 0.000 0.000 0.246 137 E C 0.954 177.583 176.600 0.049 0.000 0.984 137 E CA 0.571 57.006 56.400 0.058 0.000 0.951 137 E CB -0.235 29.484 29.700 0.031 0.000 0.914 137 E HN 0.658 nan 8.360 nan 0.000 0.509 138 G N 4.009 112.843 108.800 0.056 0.000 2.421 138 G HA2 -0.346 3.614 3.960 0.000 0.000 0.300 138 G HA3 -0.346 3.614 3.960 0.000 0.000 0.300 138 G C 0.684 175.606 174.900 0.037 0.000 0.974 138 G CA 0.711 45.837 45.100 0.043 0.000 1.062 138 G HN 0.639 nan 8.290 nan 0.000 0.514 139 R N -0.260 120.268 120.500 0.047 0.000 2.250 139 R HA 0.389 4.729 4.340 0.000 0.000 0.194 139 R C 1.320 177.628 176.300 0.014 0.000 0.927 139 R CA 0.491 56.603 56.100 0.020 0.000 1.052 139 R CB 0.610 30.910 30.300 -0.001 0.000 1.055 139 R HN 1.493 nan 8.270 nan 0.000 0.537 140 G N 1.804 110.624 108.800 0.033 0.000 3.322 140 G HA2 -0.183 3.777 3.960 0.000 0.000 0.686 140 G HA3 -0.183 3.777 3.960 0.000 0.000 0.686 140 G C 0.165 175.057 174.900 -0.013 0.000 1.015 140 G CA -0.468 44.646 45.100 0.023 0.000 0.826 140 G HN 0.070 nan 8.290 nan 0.000 0.538 141 L N 2.721 123.941 121.223 -0.004 0.000 1.980 141 L HA -0.196 4.145 4.340 0.000 0.000 0.232 141 L C 3.034 179.865 176.870 -0.065 0.000 1.092 141 L CA 2.935 57.743 54.840 -0.053 0.000 0.808 141 L CB -0.818 41.243 42.059 0.004 0.000 0.908 141 L HN 0.775 nan 8.230 nan 0.000 0.442 142 L N -0.988 120.219 121.223 -0.028 0.000 2.456 142 L HA -0.235 4.105 4.340 0.000 0.000 0.225 142 L C 2.407 179.261 176.870 -0.027 0.000 1.142 142 L CA 0.951 55.779 54.840 -0.020 0.000 0.796 142 L CB -1.257 40.800 42.059 -0.002 0.000 0.920 142 L HN 0.481 nan 8.230 nan 0.000 0.446 143 A N 0.610 123.408 122.820 -0.037 0.000 1.874 143 A HA -0.037 4.283 4.320 0.000 0.000 0.214 143 A C 2.113 179.663 177.584 -0.056 0.000 1.189 143 A CA 0.978 52.992 52.037 -0.037 0.000 0.615 143 A CB -0.309 18.672 19.000 -0.033 0.000 0.830 143 A HN 0.265 nan 8.150 nan 0.000 0.443 144 I N -0.266 120.248 120.570 -0.094 0.000 2.315 144 I HA -0.154 4.016 4.170 0.000 0.000 0.248 144 I C 2.338 178.397 176.117 -0.096 0.000 1.117 144 I CA 0.816 62.040 61.300 -0.126 0.000 1.404 144 I CB -0.405 37.452 38.000 -0.237 0.000 1.071 144 I HN 0.112 nan 8.210 nan 0.000 0.419 145 V N 1.098 120.963 119.914 -0.082 0.000 2.252 145 V HA -0.293 3.827 4.120 0.000 0.000 0.249 145 V C 2.669 178.748 176.094 -0.024 0.000 1.056 145 V CA 2.264 64.536 62.300 -0.045 0.000 1.022 145 V CB -1.793 30.012 31.823 -0.031 0.000 0.641 145 V HN 0.571 nan 8.190 nan 0.000 0.445 146 G N 0.535 109.322 108.800 -0.022 0.000 2.681 146 G HA2 -0.361 3.599 3.960 0.000 0.000 0.220 146 G HA3 -0.361 3.599 3.960 0.000 0.000 0.220 146 G C 1.188 176.082 174.900 -0.009 0.000 1.210 146 G CA 1.450 46.545 45.100 -0.009 0.000 0.783 146 G HN 0.573 nan 8.290 nan 0.000 0.609 147 D N 0.420 120.806 120.400 -0.024 0.000 2.178 147 D HA -0.049 4.592 4.640 0.000 0.000 0.201 147 D C 2.640 178.925 176.300 -0.025 0.000 0.980 147 D CA 0.431 54.414 54.000 -0.027 0.000 0.842 147 D CB -0.253 40.520 40.800 -0.045 0.000 0.948 147 D HN 0.341 nan 8.370 nan 0.000 0.472 148 L N 0.784 121.992 121.223 -0.025 0.000 2.056 148 L HA -0.113 4.227 4.340 0.000 0.000 0.207 148 L C 2.577 179.489 176.870 0.070 0.000 1.078 148 L CA 1.025 55.866 54.840 0.001 0.000 0.749 148 L CB -0.395 41.672 42.059 0.013 0.000 0.901 148 L HN -0.008 nan 8.230 nan 0.000 0.433 149 A N -0.190 122.660 122.820 0.051 0.000 1.969 149 A HA -0.093 4.227 4.320 0.000 0.000 0.218 149 A C 2.448 180.069 177.584 0.061 0.000 1.169 149 A CA 1.572 53.643 52.037 0.057 0.000 0.635 149 A CB -0.465 18.548 19.000 0.022 0.000 0.810 149 A HN 0.410 nan 8.150 nan 0.000 0.445 150 A N -0.275 122.571 122.820 0.043 0.000 1.930 150 A HA 0.105 4.425 4.320 0.000 0.000 0.215 150 A C 2.076 179.696 177.584 0.061 0.000 1.176 150 A CA 1.128 53.191 52.037 0.043 0.000 0.632 150 A CB -0.424 18.590 19.000 0.022 0.000 0.819 150 A HN 0.457 nan 8.150 nan 0.000 0.445 151 I N -0.750 119.849 120.570 0.049 0.000 2.163 151 I HA -0.202 3.969 4.170 0.000 0.000 0.240 151 I C 2.643 178.848 176.117 0.146 0.000 1.081 151 I CA 1.721 63.044 61.300 0.040 0.000 1.353 151 I CB -0.730 37.237 38.000 -0.054 0.000 1.054 151 I HN 0.221 nan 8.210 nan 0.000 0.407 152 T N 1.329 116.037 114.554 0.257 0.000 2.652 152 T HA -0.184 4.166 4.350 0.000 0.000 0.267 152 T C 1.834 176.767 174.700 0.387 0.000 1.039 152 T CA 1.465 63.848 62.100 0.471 0.000 1.153 152 T CB -0.313 68.847 68.868 0.486 0.000 0.863 152 T HN 0.069 nan 8.240 nan 0.000 0.428 153 L N 1.047 122.418 121.223 0.247 0.000 2.265 153 L HA 0.061 4.401 4.340 0.000 0.000 0.215 153 L C 2.654 179.684 176.870 0.267 0.000 1.117 153 L CA 1.350 56.319 54.840 0.214 0.000 0.782 153 L CB -1.175 40.920 42.059 0.060 0.000 0.914 153 L HN 0.356 nan 8.230 nan 0.000 0.441 154 G N -1.302 107.614 108.800 0.193 0.000 2.422 154 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 154 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 154 G C 1.238 176.217 174.900 0.131 0.000 1.146 154 G CA 0.626 45.807 45.100 0.136 0.000 0.769 154 G HN 0.308 nan 8.290 nan 0.000 0.547 155 D N -0.292 120.198 120.400 0.151 0.000 2.384 155 D HA -0.010 4.630 4.640 0.000 0.000 0.222 155 D C 1.264 177.443 176.300 -0.203 0.000 0.976 155 D CA 0.466 54.452 54.000 -0.024 0.000 0.915 155 D CB -0.115 40.667 40.800 -0.030 0.000 0.896 155 D HN 0.415 nan 8.370 nan 0.000 0.523 156 F N -0.441 119.500 119.950 -0.014 0.000 2.706 156 F HA 0.174 4.701 4.527 0.000 0.000 0.308 156 F C 1.854 177.638 175.800 -0.027 0.000 1.095 156 F CA -0.022 57.960 58.000 -0.031 0.000 1.244 156 F CB 0.403 39.392 39.000 -0.018 0.000 1.063 156 F HN -0.054 nan 8.300 nan 0.000 0.582 157 Q N -0.967 118.920 119.800 0.145 0.000 2.211 157 Q HA 0.156 4.496 4.340 0.000 0.000 0.242 157 Q C 0.207 176.246 176.000 0.066 0.000 0.825 157 Q CA -0.244 55.617 55.803 0.096 0.000 0.951 157 Q CB -0.177 28.620 28.738 0.097 0.000 1.130 157 Q HN 0.098 nan 8.270 nan 0.000 0.496 158 N N 1.931 120.660 118.700 0.049 0.000 2.412 158 N HA -0.092 4.649 4.740 0.000 0.000 0.258 158 N C 0.238 175.829 175.510 0.134 0.000 1.236 158 N CA 0.627 53.721 53.050 0.074 0.000 0.882 158 N CB 0.716 39.242 38.487 0.064 0.000 1.066 158 N HN 0.065 nan 8.380 nan 0.000 0.465 159 Q N 0.987 120.883 119.800 0.159 0.000 2.219 159 Q HA 0.087 4.427 4.340 0.000 0.000 0.209 159 Q C -0.763 175.358 176.000 0.202 0.000 0.854 159 Q CA -0.028 55.895 55.803 0.200 0.000 0.960 159 Q CB 0.037 28.847 28.738 0.121 0.000 1.116 159 Q HN 0.633 nan 8.270 nan 0.000 0.500 160 D N -0.090 120.429 120.400 0.197 0.000 2.428 160 D HA -0.005 4.635 4.640 0.000 0.000 0.221 160 D C 0.535 176.841 176.300 0.011 0.000 1.123 160 D CA -0.595 53.465 54.000 0.101 0.000 0.869 160 D CB 0.187 41.029 40.800 0.070 0.000 1.032 160 D HN 0.001 nan 8.370 nan 0.000 0.506 161 Y N 2.798 122.896 120.300 -0.336 0.000 2.365 161 Y HA -0.191 4.359 4.550 0.000 0.000 0.287 161 Y C 0.940 176.653 175.900 -0.311 0.000 1.162 161 Y CA 1.641 59.316 58.100 -0.708 0.000 1.260 161 Y CB 0.374 38.559 38.460 -0.458 0.000 0.976 161 Y HN 0.421 nan 8.280 nan 0.000 0.548 162 D N -0.595 119.762 120.400 -0.071 0.000 2.369 162 D HA 0.029 4.670 4.640 0.000 0.000 0.211 162 D C 0.159 176.435 176.300 -0.039 0.000 1.077 162 D CA 0.242 54.210 54.000 -0.054 0.000 0.842 162 D CB 0.076 40.883 40.800 0.012 0.000 0.947 162 D HN 0.206 nan 8.370 nan 0.000 0.509 163 K N 2.314 122.707 120.400 -0.012 0.000 2.266 163 K HA 0.275 4.595 4.320 0.000 0.000 0.274 163 K C -2.699 173.908 176.600 0.010 0.000 1.090 163 K CA -1.888 54.403 56.287 0.007 0.000 0.925 163 K CB 1.238 33.755 32.500 0.028 0.000 1.225 163 K HN -0.236 nan 8.250 nan 0.000 0.458 164 P HA -0.095 nan 4.420 nan 0.000 0.269 164 P C -0.435 176.854 177.300 -0.019 0.000 1.211 164 P CA -0.289 62.796 63.100 -0.026 0.000 0.781 164 P CB 0.452 32.132 31.700 -0.034 0.000 0.877 165 C N 1.820 121.102 119.300 -0.031 0.000 2.662 165 C HA 0.232 4.692 4.460 0.000 0.000 0.420 165 C C 2.165 177.155 174.990 -0.001 0.000 1.314 165 C CA 0.632 59.637 59.018 -0.022 0.000 1.963 165 C CB -0.342 27.371 27.740 -0.045 0.000 2.686 165 C HN 0.691 nan 8.230 nan 0.000 0.609 166 A N 2.626 125.449 122.820 0.005 0.000 1.849 166 A HA -0.198 4.122 4.320 0.000 0.000 0.217 166 A C 1.797 179.335 177.584 -0.078 0.000 1.202 166 A CA 1.837 53.832 52.037 -0.070 0.000 0.629 166 A CB -0.895 18.020 19.000 -0.142 0.000 0.834 166 A HN 0.996 nan 8.150 nan 0.000 0.447 167 W N -0.108 121.146 121.300 -0.077 0.000 2.305 167 W HA -0.190 4.470 4.660 0.000 0.000 0.308 167 W C 2.221 178.678 176.519 -0.102 0.000 1.226 167 W CA 1.458 58.751 57.345 -0.086 0.000 1.253 167 W CB -0.679 28.721 29.460 -0.099 0.000 1.146 167 W HN 0.270 nan 8.180 nan 0.000 0.507 168 L N -0.419 120.870 121.223 0.110 0.000 1.994 168 L HA -0.213 4.127 4.340 0.000 0.000 0.208 168 L C 2.662 179.523 176.870 -0.015 0.000 1.071 168 L CA 1.465 56.309 54.840 0.006 0.000 0.745 168 L CB -1.290 40.746 42.059 -0.039 0.000 0.892 168 L HN 0.020 nan 8.230 nan 0.000 0.431 169 A N -0.401 122.404 122.820 -0.025 0.000 2.024 169 A HA -0.153 4.167 4.320 0.000 0.000 0.220 169 A C 2.328 179.884 177.584 -0.046 0.000 1.164 169 A CA 1.814 53.828 52.037 -0.038 0.000 0.643 169 A CB -0.536 18.438 19.000 -0.043 0.000 0.806 169 A HN 0.464 nan 8.150 nan 0.000 0.451 170 A N -1.550 121.234 122.820 -0.059 0.000 2.044 170 A HA 0.233 4.553 4.320 0.000 0.000 0.213 170 A C 2.027 179.584 177.584 -0.045 0.000 1.169 170 A CA 1.313 53.302 52.037 -0.079 0.000 0.724 170 A CB -0.086 18.817 19.000 -0.161 0.000 0.840 170 A HN 0.378 nan 8.150 nan 0.000 0.463 171 S N -0.561 115.133 115.700 -0.010 0.000 2.540 171 S HA 0.397 4.867 4.470 0.000 0.000 0.218 171 S C 0.321 174.913 174.600 -0.012 0.000 0.977 171 S CA -0.253 57.953 58.200 0.009 0.000 0.918 171 S CB -0.046 63.192 63.200 0.063 0.000 0.806 171 S HN 0.381 nan 8.310 nan 0.000 0.496 172 L N 2.064 123.274 121.223 -0.023 0.000 2.352 172 L HA 0.417 4.757 4.340 0.000 0.000 0.269 172 L C 0.760 177.619 176.870 -0.019 0.000 1.034 172 L CA -0.936 53.888 54.840 -0.027 0.000 0.806 172 L CB 0.941 42.979 42.059 -0.035 0.000 1.244 172 L HN 0.099 nan 8.230 nan 0.000 0.447 173 T N -1.672 112.873 114.554 -0.014 0.000 2.946 173 T HA 0.030 4.380 4.350 0.000 0.000 0.312 173 T C -1.475 173.217 174.700 -0.012 0.000 1.066 173 T CA -1.005 61.089 62.100 -0.010 0.000 1.138 173 T CB 0.506 69.370 68.868 -0.006 0.000 1.014 173 T HN 0.510 nan 8.240 nan 0.000 0.544 174 P HA -0.132 nan 4.420 nan 0.000 0.219 174 P C 1.450 178.744 177.300 -0.010 0.000 1.146 174 P CA 0.853 63.945 63.100 -0.013 0.000 0.808 174 P CB 0.133 31.825 31.700 -0.013 0.000 0.779 175 R N -0.234 120.262 120.500 -0.007 0.000 2.073 175 R HA -0.094 4.246 4.340 0.000 0.000 0.234 175 R C 2.655 178.953 176.300 -0.003 0.000 1.134 175 R CA 1.060 57.158 56.100 -0.004 0.000 0.952 175 R CB -0.297 30.002 30.300 -0.002 0.000 0.850 175 R HN -0.117 nan 8.270 nan 0.000 0.433 176 R N 0.322 120.819 120.500 -0.004 0.000 2.073 176 R HA -0.085 4.255 4.340 0.000 0.000 0.234 176 R C 2.183 178.479 176.300 -0.007 0.000 1.134 176 R CA 1.417 57.515 56.100 -0.003 0.000 0.952 176 R CB -0.867 29.430 30.300 -0.005 0.000 0.850 176 R HN 0.183 nan 8.270 nan 0.000 0.433 177 V N 1.960 121.866 119.914 -0.012 0.000 2.380 177 V HA -0.255 3.865 4.120 0.000 0.000 0.251 177 V C 2.642 178.729 176.094 -0.012 0.000 1.063 177 V CA 1.759 64.049 62.300 -0.016 0.000 1.055 177 V CB -0.491 31.320 31.823 -0.020 0.000 0.657 177 V HN 0.269 nan 8.190 nan 0.000 0.455 178 K N 0.086 120.480 120.400 -0.009 0.000 2.103 178 K HA -0.142 4.178 4.320 0.000 0.000 0.204 178 K C 2.342 178.941 176.600 -0.002 0.000 1.052 178 K CA 1.398 57.682 56.287 -0.006 0.000 0.945 178 K CB -0.150 32.347 32.500 -0.005 0.000 0.722 178 K HN 0.398 nan 8.250 nan 0.000 0.443 179 R N 0.485 120.986 120.500 0.001 0.000 2.061 179 R HA -0.021 4.319 4.340 0.000 0.000 0.230 179 R C 2.550 178.854 176.300 0.007 0.000 1.140 179 R CA 1.173 57.276 56.100 0.006 0.000 0.940 179 R CB -0.318 29.987 30.300 0.008 0.000 0.839 179 R HN 0.103 nan 8.270 nan 0.000 0.429 180 L N -0.180 121.046 121.223 0.005 0.000 2.013 180 L HA -0.150 4.190 4.340 0.000 0.000 0.212 180 L C 2.603 179.474 176.870 0.001 0.000 1.073 180 L CA 1.625 56.468 54.840 0.006 0.000 0.753 180 L CB -1.114 40.945 42.059 0.001 0.000 0.890 180 L HN 0.523 nan 8.230 nan 0.000 0.432 181 G N -0.046 108.751 108.800 -0.007 0.000 2.469 181 G HA2 -0.288 3.672 3.960 0.000 0.000 0.219 181 G HA3 -0.288 3.672 3.960 0.000 0.000 0.219 181 G C 1.156 176.056 174.900 0.000 0.000 1.150 181 G CA 1.129 46.223 45.100 -0.010 0.000 0.763 181 G HN 0.364 nan 8.290 nan 0.000 0.561 182 D N 0.114 120.517 120.400 0.005 0.000 2.219 182 D HA -0.033 4.607 4.640 0.000 0.000 0.205 182 D C 2.105 178.416 176.300 0.018 0.000 0.970 182 D CA 0.524 54.530 54.000 0.011 0.000 0.851 182 D CB 0.028 40.834 40.800 0.010 0.000 0.943 182 D HN 0.219 nan 8.370 nan 0.000 0.488 183 L N -0.411 120.823 121.223 0.019 0.000 2.591 183 L HA 0.228 4.568 4.340 0.000 0.000 0.228 183 L C 1.654 178.545 176.870 0.035 0.000 1.133 183 L CA 0.384 55.240 54.840 0.028 0.000 0.880 183 L CB -0.442 41.634 42.059 0.029 0.000 1.033 183 L HN 0.067 nan 8.230 nan 0.000 0.450 184 G N -0.234 108.582 108.800 0.026 0.000 2.179 184 G HA2 -0.298 3.662 3.960 0.000 0.000 0.257 184 G HA3 -0.298 3.662 3.960 0.000 0.000 0.257 184 G C 0.840 175.750 174.900 0.016 0.000 1.010 184 G CA 0.553 45.671 45.100 0.029 0.000 0.736 184 G HN 0.384 nan 8.290 nan 0.000 0.513 185 L N -1.016 120.213 121.223 0.012 0.000 2.611 185 L HA 0.366 4.706 4.340 0.000 0.000 0.229 185 L C 0.781 177.645 176.870 -0.010 0.000 1.137 185 L CA -0.269 54.580 54.840 0.015 0.000 0.901 185 L CB 0.166 42.243 42.059 0.031 0.000 1.098 185 L HN 0.164 nan 8.230 nan 0.000 0.456 186 L N 2.715 123.915 121.223 -0.039 0.000 2.255 186 L HA 0.394 4.734 4.340 0.000 0.000 0.289 186 L C -1.887 174.930 176.870 -0.089 0.000 1.046 186 L CA -1.864 52.943 54.840 -0.054 0.000 0.816 186 L CB 0.796 42.825 42.059 -0.051 0.000 1.197 186 L HN -0.182 nan 8.230 nan 0.000 0.427 187 P HA 0.085 nan 4.420 nan 0.000 0.272 187 P C -0.338 176.930 177.300 -0.053 0.000 1.230 187 P CA 0.120 63.178 63.100 -0.070 0.000 0.788 187 P CB 0.676 32.328 31.700 -0.080 0.000 0.949 188 H N -0.183 118.762 119.070 -0.209 0.000 2.885 188 H HA 0.263 4.819 4.556 0.000 0.000 0.260 188 H C -0.308 174.959 175.328 -0.102 0.000 0.985 188 H CA -0.001 55.954 56.048 -0.155 0.000 1.210 188 H CB 0.386 30.041 29.762 -0.178 0.000 1.466 188 H HN 0.352 nan 8.280 nan 0.000 0.493 189 N N 0.737 119.008 118.700 -0.714 0.000 2.537 189 N HA 0.120 4.860 4.740 0.000 0.000 0.281 189 N C 0.458 175.721 175.510 -0.412 0.000 1.097 189 N CA -0.385 52.335 53.050 -0.550 0.000 0.964 189 N CB 1.146 39.247 38.487 -0.643 0.000 1.588 189 N HN 0.058 nan 8.380 nan 0.000 0.511 190 I N 1.385 121.706 120.570 -0.416 0.000 2.076 190 I HA -0.267 3.903 4.170 0.000 0.000 0.237 190 I C 1.283 177.281 176.117 -0.198 0.000 1.059 190 I CA 1.225 62.303 61.300 -0.371 0.000 1.317 190 I CB -0.072 37.531 38.000 -0.662 0.000 1.037 190 I HN 0.505 nan 8.210 nan 0.000 0.398 191 D N 1.013 121.340 120.400 -0.122 0.000 2.123 191 D HA -0.154 4.486 4.640 0.000 0.000 0.196 191 D C 2.221 178.513 176.300 -0.012 0.000 0.992 191 D CA 1.644 55.651 54.000 0.012 0.000 0.833 191 D CB -0.247 40.624 40.800 0.119 0.000 0.954 191 D HN 0.378 nan 8.370 nan 0.000 0.455 192 A N 0.258 123.041 122.820 -0.061 0.000 1.972 192 A HA -0.150 4.170 4.320 0.000 0.000 0.219 192 A C 2.420 180.013 177.584 0.015 0.000 1.169 192 A CA 1.740 53.763 52.037 -0.023 0.000 0.635 192 A CB -0.466 18.482 19.000 -0.086 0.000 0.810 192 A HN 0.149 nan 8.150 nan 0.000 0.446 193 S N -0.560 115.115 115.700 -0.041 0.000 2.355 193 S HA -0.113 4.357 4.470 0.000 0.000 0.222 193 S C 1.925 176.545 174.600 0.032 0.000 1.031 193 S CA 1.358 59.568 58.200 0.016 0.000 0.993 193 S CB -0.420 62.762 63.200 -0.031 0.000 0.859 193 S HN 0.355 nan 8.310 nan 0.000 0.453 194 V N 2.085 122.006 119.914 0.012 0.000 2.261 194 V HA -0.227 3.893 4.120 0.000 0.000 0.246 194 V C 2.661 178.774 176.094 0.032 0.000 1.047 194 V CA 1.832 64.144 62.300 0.021 0.000 1.015 194 V CB -1.232 30.601 31.823 0.017 0.000 0.642 194 V HN 0.538 nan 8.190 nan 0.000 0.446 195 A N -0.706 122.135 122.820 0.036 0.000 1.883 195 A HA -0.299 4.021 4.320 0.000 0.000 0.217 195 A C 2.144 179.757 177.584 0.048 0.000 1.186 195 A CA 2.035 54.096 52.037 0.040 0.000 0.624 195 A CB -0.553 18.471 19.000 0.041 0.000 0.822 195 A HN 0.653 nan 8.150 nan 0.000 0.444 196 Q N -0.960 118.881 119.800 0.068 0.000 2.291 196 Q HA -0.091 4.249 4.340 0.000 0.000 0.205 196 Q C 1.967 178.009 176.000 0.069 0.000 0.970 196 Q CA 1.541 57.390 55.803 0.077 0.000 0.876 196 Q CB -0.306 28.507 28.738 0.126 0.000 0.935 196 Q HN 0.682 nan 8.270 nan 0.000 0.455 197 T N 0.688 115.281 114.554 0.065 0.000 2.770 197 T HA -0.060 4.291 4.350 0.000 0.000 0.263 197 T C 1.749 176.478 174.700 0.048 0.000 1.039 197 T CA 0.846 62.979 62.100 0.055 0.000 1.142 197 T CB 0.032 68.927 68.868 0.045 0.000 0.868 197 T HN 0.173 nan 8.240 nan 0.000 0.435 198 M N 1.292 120.918 119.600 0.043 0.000 2.229 198 M HA 0.063 4.543 4.480 0.000 0.000 0.264 198 M C 2.618 178.957 176.300 0.065 0.000 1.063 198 M CA 0.960 56.288 55.300 0.047 0.000 1.114 198 M CB -1.577 31.047 32.600 0.039 0.000 1.387 198 M HN 0.224 nan 8.290 nan 0.000 0.420 199 S N 1.087 116.817 115.700 0.051 0.000 2.368 199 S HA -0.137 4.333 4.470 0.000 0.000 0.224 199 S C 1.982 176.617 174.600 0.057 0.000 1.029 199 S CA 1.192 59.415 58.200 0.038 0.000 0.988 199 S CB -0.112 63.097 63.200 0.015 0.000 0.838 199 S HN 0.604 nan 8.310 nan 0.000 0.462 200 R N 0.493 121.027 120.500 0.056 0.000 2.276 200 R HA 0.047 4.387 4.340 0.000 0.000 0.203 200 R C 1.274 177.615 176.300 0.069 0.000 1.017 200 R CA 1.435 57.569 56.100 0.056 0.000 1.010 200 R CB -0.896 29.433 30.300 0.048 0.000 0.900 200 R HN 0.513 nan 8.270 nan 0.000 0.469 201 T N -2.601 112.001 114.554 0.079 0.000 3.134 201 T HA 0.066 4.416 4.350 0.000 0.000 0.260 201 T C 0.139 174.892 174.700 0.089 0.000 1.027 201 T CA -0.569 61.574 62.100 0.071 0.000 0.913 201 T CB -0.342 68.557 68.868 0.052 0.000 1.046 201 T HN 0.390 nan 8.240 nan 0.000 0.553 202 H N 1.002 120.080 119.070 0.014 0.000 2.671 202 H HA 0.487 5.044 4.556 0.000 0.000 0.372 202 H C 0.417 175.750 175.328 0.009 0.000 1.227 202 H CA -0.246 55.808 56.048 0.011 0.000 1.426 202 H CB 0.807 30.574 29.762 0.008 0.000 1.480 202 H HN 0.099 nan 8.280 nan 0.000 0.611 203 V N 3.472 123.101 119.914 -0.475 0.000 2.720 203 V HA 0.174 4.295 4.120 0.000 0.000 0.307 203 V C 1.100 177.193 176.094 -0.002 0.000 1.071 203 V CA 1.302 63.467 62.300 -0.225 0.000 1.199 203 V CB -0.320 31.326 31.823 -0.295 0.000 0.900 203 V HN 1.241 nan 8.190 nan 0.000 0.494 204 G N 3.700 112.506 108.800 0.009 0.000 2.221 204 G HA2 -0.252 3.708 3.960 0.000 0.000 0.265 204 G HA3 -0.252 3.708 3.960 0.000 0.000 0.265 204 G C 0.256 175.192 174.900 0.061 0.000 1.041 204 G CA 0.298 45.420 45.100 0.037 0.000 0.807 204 G HN 1.052 nan 8.290 nan 0.000 0.502 205 C N -1.237 118.101 119.300 0.064 0.000 2.769 205 C HA 0.619 5.079 4.460 0.000 0.000 0.086 205 C C 0.973 175.985 174.990 0.037 0.000 2.496 205 C CA 0.015 59.069 59.018 0.060 0.000 1.923 205 C CB 0.332 28.125 27.740 0.088 0.000 2.940 205 C HN 0.579 nan 8.230 nan 0.000 0.347 206 D N 0.182 120.605 120.400 0.038 0.000 2.401 206 D HA 0.425 5.065 4.640 0.000 0.000 0.254 206 D C 0.278 176.596 176.300 0.030 0.000 1.192 206 D CA 0.488 54.507 54.000 0.031 0.000 0.885 206 D CB 0.896 41.717 40.800 0.036 0.000 1.147 206 D HN 0.562 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 0.109 4.430 4.320 0.000 0.000 0.215 207 A C 0.678 178.277 177.584 0.025 0.000 1.256 207 A CA -0.254 51.797 52.037 0.022 0.000 0.966 207 A CB 0.052 19.058 19.000 0.011 0.000 1.053 207 A HN 0.579 nan 8.150 nan 0.000 0.510 208 D N 0.696 121.111 120.400 0.024 0.000 2.382 208 D HA 0.262 4.903 4.640 0.000 0.000 0.259 208 D C -1.562 174.758 176.300 0.033 0.000 1.224 208 D CA -1.339 52.676 54.000 0.027 0.000 0.894 208 D CB 1.126 41.940 40.800 0.024 0.000 1.127 208 D HN 0.010 nan 8.370 nan 0.000 0.487 209 P HA -0.190 nan 4.420 nan 0.000 0.216 209 P C 1.114 178.440 177.300 0.043 0.000 1.157 209 P CA 1.437 64.561 63.100 0.040 0.000 0.880 209 P CB 0.151 31.875 31.700 0.039 0.000 0.791 210 T N -1.228 113.351 114.554 0.041 0.000 2.777 210 T HA -0.139 4.211 4.350 0.000 0.000 0.266 210 T C 1.771 176.499 174.700 0.047 0.000 1.040 210 T CA 1.178 63.305 62.100 0.044 0.000 1.141 210 T CB -0.958 67.933 68.868 0.039 0.000 0.868 210 T HN 0.190 nan 8.240 nan 0.000 0.444 211 N N 1.010 119.735 118.700 0.042 0.000 2.120 211 N HA -0.032 4.708 4.740 0.000 0.000 0.188 211 N C 1.939 177.480 175.510 0.051 0.000 1.024 211 N CA 0.995 54.071 53.050 0.044 0.000 0.852 211 N CB -0.218 38.291 38.487 0.036 0.000 1.003 211 N HN 0.350 nan 8.380 nan 0.000 0.424 212 L N 0.803 122.055 121.223 0.048 0.000 2.017 212 L HA -0.160 4.180 4.340 0.000 0.000 0.208 212 L C 2.310 179.214 176.870 0.057 0.000 1.073 212 L CA 0.744 55.614 54.840 0.051 0.000 0.745 212 L CB -0.343 41.744 42.059 0.046 0.000 0.894 212 L HN 0.174 nan 8.230 nan 0.000 0.432 213 I N -0.241 120.364 120.570 0.059 0.000 2.361 213 I HA -0.262 3.908 4.170 0.000 0.000 0.251 213 I C 2.465 178.628 176.117 0.078 0.000 1.133 213 I CA 1.556 62.898 61.300 0.070 0.000 1.413 213 I CB -0.866 37.179 38.000 0.074 0.000 1.073 213 I HN 0.285 nan 8.210 nan 0.000 0.424 214 L N 0.363 121.629 121.223 0.072 0.000 2.056 214 L HA -0.096 4.245 4.340 0.000 0.000 0.207 214 L C 2.646 179.564 176.870 0.079 0.000 1.078 214 L CA 1.446 56.330 54.840 0.073 0.000 0.749 214 L CB -1.037 41.062 42.059 0.067 0.000 0.901 214 L HN 0.265 nan 8.230 nan 0.000 0.433 215 G N -0.465 108.382 108.800 0.079 0.000 2.432 215 G HA2 -0.196 3.764 3.960 0.000 0.000 0.219 215 G HA3 -0.196 3.764 3.960 0.000 0.000 0.219 215 G C 1.542 176.490 174.900 0.081 0.000 1.135 215 G CA 0.759 45.912 45.100 0.087 0.000 0.767 215 G HN 0.500 nan 8.290 nan 0.000 0.550 216 G N 0.777 109.622 108.800 0.075 0.000 2.394 216 G HA2 -0.079 3.881 3.960 0.000 0.000 0.215 216 G HA3 -0.079 3.881 3.960 0.000 0.000 0.215 216 G C 1.765 176.719 174.900 0.091 0.000 1.165 216 G CA 0.496 45.640 45.100 0.074 0.000 0.784 216 G HN 0.409 nan 8.290 nan 0.000 0.535 217 L N -0.053 121.229 121.223 0.097 0.000 2.083 217 L HA -0.067 4.273 4.340 0.000 0.000 0.209 217 L C 2.909 179.836 176.870 0.095 0.000 1.083 217 L CA 1.390 56.293 54.840 0.106 0.000 0.752 217 L CB -0.350 41.767 42.059 0.095 0.000 0.899 217 L HN 0.235 nan 8.230 nan 0.000 0.433 218 R N 0.266 120.812 120.500 0.077 0.000 2.066 218 R HA -0.124 4.216 4.340 0.000 0.000 0.232 218 R C 2.175 178.506 176.300 0.051 0.000 1.131 218 R CA 1.548 57.681 56.100 0.056 0.000 0.955 218 R CB -0.203 30.129 30.300 0.054 0.000 0.851 218 R HN 0.154 nan 8.270 nan 0.000 0.432 219 V N 1.232 121.184 119.914 0.063 0.000 2.490 219 V HA -0.182 3.938 4.120 0.000 0.000 0.250 219 V C 2.510 178.651 176.094 0.078 0.000 1.061 219 V CA 1.719 64.050 62.300 0.052 0.000 1.064 219 V CB -1.021 30.834 31.823 0.053 0.000 0.670 219 V HN 0.529 nan 8.190 nan 0.000 0.461 220 A N -0.064 122.828 122.820 0.121 0.000 1.933 220 A HA -0.193 4.127 4.320 0.000 0.000 0.218 220 A C 2.206 179.934 177.584 0.240 0.000 1.175 220 A CA 1.993 54.160 52.037 0.215 0.000 0.628 220 A CB -0.460 18.673 19.000 0.222 0.000 0.814 220 A HN 0.406 nan 8.150 nan 0.000 0.444 221 M N -0.513 119.156 119.600 0.115 0.000 2.296 221 M HA -0.028 4.452 4.480 0.000 0.000 0.265 221 M C 2.300 178.549 176.300 -0.084 0.000 1.064 221 M CA 1.234 56.534 55.300 0.000 0.000 1.109 221 M CB -1.390 31.204 32.600 -0.011 0.000 1.396 221 M HN 0.491 nan 8.290 nan 0.000 0.430 222 A N -0.413 122.379 122.820 -0.046 0.000 2.119 222 A HA -0.158 4.162 4.320 0.000 0.000 0.217 222 A C 1.884 179.412 177.584 -0.094 0.000 1.153 222 A CA 1.796 53.770 52.037 -0.105 0.000 0.692 222 A CB -0.734 18.207 19.000 -0.099 0.000 0.799 222 A HN 0.487 nan 8.150 nan 0.000 0.458 223 D N -0.579 119.830 120.400 0.014 0.000 2.137 223 D HA -0.078 4.562 4.640 0.000 0.000 0.202 223 D C 1.819 178.063 176.300 -0.092 0.000 0.970 223 D CA 0.790 54.860 54.000 0.118 0.000 0.837 223 D CB -0.095 40.951 40.800 0.410 0.000 0.981 223 D HN 0.333 nan 8.370 nan 0.000 0.475 224 L N 0.207 121.159 121.223 -0.452 0.000 1.994 224 L HA -0.161 4.179 4.340 0.000 0.000 0.208 224 L C 1.944 178.519 176.870 -0.492 0.000 1.071 224 L CA 2.028 56.333 54.840 -0.891 0.000 0.745 224 L CB -0.476 40.853 42.059 -1.217 0.000 0.892 224 L HN 0.142 nan 8.230 nan 0.000 0.431 225 D N -0.694 119.496 120.400 -0.351 0.000 2.126 225 D HA -0.219 4.421 4.640 0.000 0.000 0.190 225 D C 2.005 178.102 176.300 -0.339 0.000 1.001 225 D CA 1.750 55.591 54.000 -0.265 0.000 0.841 225 D CB -0.174 40.504 40.800 -0.204 0.000 0.949 225 D HN 0.420 nan 8.370 nan 0.000 0.446 226 G N -1.011 107.614 108.800 -0.291 0.000 2.422 226 G HA2 -0.226 3.734 3.960 0.000 0.000 0.218 226 G HA3 -0.226 3.734 3.960 0.000 0.000 0.218 226 G C 1.801 176.525 174.900 -0.294 0.000 1.146 226 G CA 0.944 45.895 45.100 -0.250 0.000 0.769 226 G HN 0.277 nan 8.290 nan 0.000 0.547 227 S N 0.436 115.952 115.700 -0.307 0.000 2.368 227 S HA -0.064 4.406 4.470 0.000 0.000 0.224 227 S C 2.430 176.821 174.600 -0.348 0.000 1.029 227 S CA 1.397 59.396 58.200 -0.335 0.000 0.988 227 S CB -0.238 62.771 63.200 -0.319 0.000 0.838 227 S HN 0.378 nan 8.310 nan 0.000 0.462 228 M N 1.024 120.390 119.600 -0.389 0.000 2.064 228 M HA -0.042 4.438 4.480 0.000 0.000 0.260 228 M C 2.328 178.211 176.300 -0.694 0.000 1.073 228 M CA 1.278 56.352 55.300 -0.377 0.000 1.124 228 M CB -0.750 31.710 32.600 -0.233 0.000 1.326 228 M HN 0.286 nan 8.290 nan 0.000 0.410 229 L N 0.732 121.296 121.223 -1.098 0.000 2.034 229 L HA -0.276 4.064 4.340 0.000 0.000 0.217 229 L C 2.558 178.945 176.870 -0.806 0.000 1.077 229 L CA 2.047 55.922 54.840 -1.610 0.000 0.769 229 L CB -0.443 40.951 42.059 -1.108 0.000 0.890 229 L HN 0.313 nan 8.230 nan 0.000 0.435 230 A N -1.020 121.486 122.820 -0.522 0.000 1.930 230 A HA -0.142 4.178 4.320 0.000 0.000 0.217 230 A C 2.178 179.603 177.584 -0.264 0.000 1.175 230 A CA 1.994 53.800 52.037 -0.384 0.000 0.627 230 A CB -0.904 17.800 19.000 -0.494 0.000 0.815 230 A HN 0.567 nan 8.150 nan 0.000 0.443 231 T N -0.123 114.288 114.554 -0.237 0.000 2.732 231 T HA -0.090 4.260 4.350 0.000 0.000 0.261 231 T C 1.851 176.524 174.700 -0.046 0.000 1.040 231 T CA 1.306 63.346 62.100 -0.099 0.000 1.145 231 T CB -0.237 68.586 68.868 -0.074 0.000 0.866 231 T HN 0.452 nan 8.240 nan 0.000 0.427 232 E N 1.484 121.636 120.200 -0.079 0.000 2.021 232 E HA -0.109 4.242 4.350 0.000 0.000 0.200 232 E C 2.362 179.001 176.600 0.065 0.000 1.015 232 E CA 1.091 57.517 56.400 0.043 0.000 0.824 232 E CB -0.725 29.079 29.700 0.173 0.000 0.762 232 E HN 0.437 nan 8.360 nan 0.000 0.454 233 L N 0.984 122.218 121.223 0.018 0.000 2.127 233 L HA -0.168 4.172 4.340 0.000 0.000 0.211 233 L C 2.591 179.499 176.870 0.063 0.000 1.089 233 L CA 0.835 55.708 54.840 0.054 0.000 0.757 233 L CB -0.391 41.683 42.059 0.025 0.000 0.899 233 L HN 0.029 nan 8.230 nan 0.000 0.434 234 S N -0.436 115.314 115.700 0.083 0.000 2.368 234 S HA -0.171 4.299 4.470 0.000 0.000 0.224 234 S C 1.545 176.288 174.600 0.238 0.000 1.029 234 S CA 1.201 59.535 58.200 0.223 0.000 0.988 234 S CB -0.187 63.141 63.200 0.213 0.000 0.838 234 S HN 0.437 nan 8.310 nan 0.000 0.462 235 D N 1.634 122.122 120.400 0.145 0.000 2.117 235 D HA -0.031 4.609 4.640 0.000 0.000 0.197 235 D C 2.129 178.483 176.300 0.089 0.000 0.987 235 D CA 1.213 55.288 54.000 0.125 0.000 0.829 235 D CB -0.439 40.414 40.800 0.089 0.000 0.961 235 D HN 0.368 nan 8.370 nan 0.000 0.460 236 A N 0.554 123.411 122.820 0.063 0.000 1.908 236 A HA -0.137 4.183 4.320 0.000 0.000 0.218 236 A C 2.408 179.963 177.584 -0.049 0.000 1.181 236 A CA 1.009 53.062 52.037 0.027 0.000 0.627 236 A CB -0.771 18.250 19.000 0.035 0.000 0.818 236 A HN 0.227 nan 8.150 nan 0.000 0.445 237 L N -2.626 118.512 121.223 -0.140 0.000 2.156 237 L HA -0.035 4.306 4.340 0.000 0.000 0.208 237 L C 1.518 177.963 176.870 -0.708 0.000 1.095 237 L CA 1.059 55.617 54.840 -0.470 0.000 0.770 237 L CB -0.143 41.485 42.059 -0.717 0.000 0.914 237 L HN 0.489 nan 8.230 nan 0.000 0.439 238 F N -1.111 118.895 119.950 0.093 0.000 2.746 238 F HA 0.451 4.978 4.527 0.000 0.000 0.320 238 F C 0.849 176.683 175.800 0.056 0.000 1.097 238 F CA -0.027 58.029 58.000 0.092 0.000 1.195 238 F CB 0.718 39.795 39.000 0.130 0.000 1.056 238 F HN -0.064 nan 8.300 nan 0.000 0.562 239 G N 1.574 110.466 108.800 0.154 0.000 3.355 239 G HA2 -0.014 3.947 3.960 0.000 0.000 0.686 239 G HA3 -0.014 3.947 3.960 0.000 0.000 0.686 239 G C -0.389 174.553 174.900 0.069 0.000 1.097 239 G CA -0.647 44.498 45.100 0.076 0.000 0.881 239 G HN 0.235 nan 8.290 nan 0.000 0.550 240 T N 3.913 118.493 114.554 0.044 0.000 2.853 240 T HA 0.546 4.896 4.350 0.000 0.000 0.298 240 T C -0.988 173.710 174.700 -0.003 0.000 0.978 240 T CA -0.354 61.767 62.100 0.035 0.000 1.152 240 T CB 0.738 69.625 68.868 0.032 0.000 0.914 240 T HN 0.611 nan 8.240 nan 0.000 0.539 241 P HA 0.185 nan 4.420 nan 0.000 0.268 241 P C -1.191 176.056 177.300 -0.088 0.000 1.204 241 P CA -0.245 62.824 63.100 -0.051 0.000 0.768 241 P CB 0.635 32.315 31.700 -0.033 0.000 0.842 242 Q N 2.727 122.449 119.800 -0.130 0.000 2.433 242 Q HA 0.641 4.982 4.340 0.000 0.000 0.279 242 Q C -2.852 172.996 176.000 -0.252 0.000 1.105 242 Q CA -2.922 52.770 55.803 -0.184 0.000 0.815 242 Q CB -0.761 27.894 28.738 -0.138 0.000 1.403 242 Q HN 0.216 nan 8.270 nan 0.000 0.435 243 P HA -0.030 nan 4.420 nan 0.000 0.259 243 P C -1.091 176.097 177.300 -0.186 0.000 1.155 243 P CA 0.304 63.137 63.100 -0.444 0.000 0.759 243 P CB 0.359 31.775 31.700 -0.474 0.000 0.753 244 V N 4.444 124.300 119.914 -0.097 0.000 3.120 244 V HA 0.400 4.521 4.120 0.000 0.000 0.303 244 V C -0.903 175.213 176.094 0.038 0.000 1.238 244 V CA -0.836 61.448 62.300 -0.026 0.000 1.008 244 V CB 2.672 34.477 31.823 -0.030 0.000 1.064 244 V HN 0.103 nan 8.190 nan 0.000 0.434 245 V N 4.085 124.024 119.914 0.042 0.000 2.617 245 V HA 0.870 4.990 4.120 0.000 0.000 0.298 245 V C 0.310 176.440 176.094 0.061 0.000 1.048 245 V CA 0.520 62.859 62.300 0.065 0.000 0.964 245 V CB 1.629 33.486 31.823 0.055 0.000 1.004 245 V HN 1.107 nan 8.190 nan 0.000 0.466 246 S N 1.672 117.417 115.700 0.075 0.000 2.800 246 S HA 0.911 5.381 4.470 0.000 0.000 0.293 246 S C -1.058 173.587 174.600 0.074 0.000 1.209 246 S CA 0.189 58.431 58.200 0.069 0.000 0.884 246 S CB 1.702 64.947 63.200 0.074 0.000 1.244 246 S HN 1.249 nan 8.310 nan 0.000 0.540 247 A N 0.066 122.928 122.820 0.070 0.000 2.479 247 A HA 1.019 5.339 4.320 0.000 0.000 0.296 247 A C -0.536 177.095 177.584 0.078 0.000 1.121 247 A CA -0.116 51.964 52.037 0.071 0.000 0.743 247 A CB 1.235 20.270 19.000 0.058 0.000 1.323 247 A HN 1.653 nan 8.150 nan 0.000 0.415 248 A N 0.536 123.406 122.820 0.083 0.000 2.564 248 A HA 0.851 5.171 4.320 0.000 0.000 0.288 248 A C -0.280 177.350 177.584 0.078 0.000 1.164 248 A CA -0.303 51.783 52.037 0.082 0.000 0.712 248 A CB 0.821 19.881 19.000 0.099 0.000 1.303 248 A HN 1.838 nan 8.150 nan 0.000 0.418 249 N N -1.393 117.345 118.700 0.063 0.000 4.393 249 N HA -0.142 4.598 4.740 0.000 0.000 0.333 249 N C 0.762 176.305 175.510 0.055 0.000 1.900 249 N CA 0.845 53.928 53.050 0.054 0.000 3.025 249 N CB -0.420 38.115 38.487 0.081 0.000 0.337 249 N HN 0.797 nan 8.380 nan 0.000 0.842 250 L N 1.528 122.769 121.223 0.029 0.000 2.198 250 L HA -0.268 4.072 4.340 0.000 0.000 0.218 250 L C 2.394 179.302 176.870 0.064 0.000 1.084 250 L CA 2.130 56.988 54.840 0.031 0.000 0.779 250 L CB -0.677 41.386 42.059 0.005 0.000 0.890 250 L HN 0.802 nan 8.230 nan 0.000 0.439 251 G N -0.610 108.255 108.800 0.108 0.000 2.537 251 G HA2 -0.176 3.784 3.960 0.000 0.000 0.220 251 G HA3 -0.176 3.784 3.960 0.000 0.000 0.220 251 G C 1.504 176.446 174.900 0.070 0.000 1.111 251 G CA 0.724 45.889 45.100 0.108 0.000 0.748 251 G HN 0.280 nan 8.290 nan 0.000 0.564 252 V N 0.860 120.809 119.914 0.058 0.000 2.660 252 V HA -0.103 4.017 4.120 0.000 0.000 0.257 252 V C 1.829 177.942 176.094 0.032 0.000 1.088 252 V CA 1.034 63.358 62.300 0.040 0.000 1.106 252 V CB -0.492 31.348 31.823 0.029 0.000 0.686 252 V HN 0.434 nan 8.190 nan 0.000 0.481 253 M N -0.061 119.561 119.600 0.037 0.000 2.228 253 M HA 0.304 4.784 4.480 0.000 0.000 0.326 253 M C -0.062 176.266 176.300 0.046 0.000 1.122 253 M CA 0.622 55.945 55.300 0.038 0.000 1.161 253 M CB 0.568 33.192 32.600 0.041 0.000 1.437 253 M HN 0.046 nan 8.290 nan 0.000 0.465 254 K N 0.682 121.113 120.400 0.051 0.000 2.375 254 K HA 0.451 4.771 4.320 0.000 0.000 0.249 254 K C 0.018 176.671 176.600 0.088 0.000 0.942 254 K CA -0.815 55.506 56.287 0.056 0.000 0.806 254 K CB 2.316 34.839 32.500 0.038 0.000 1.227 254 K HN 0.507 nan 8.250 nan 0.000 0.430 255 R N 0.282 120.836 120.500 0.091 0.000 2.246 255 R HA 0.025 4.365 4.340 0.000 0.000 0.199 255 R C 1.564 177.966 176.300 0.169 0.000 0.984 255 R CA 0.806 56.979 56.100 0.121 0.000 1.015 255 R CB 0.201 30.551 30.300 0.084 0.000 0.930 255 R HN 0.824 nan 8.270 nan 0.000 0.475 256 G N -0.269 108.604 108.800 0.122 0.000 3.088 256 G HA2 0.305 4.265 3.960 0.000 0.000 0.217 256 G HA3 0.305 4.265 3.960 0.000 0.000 0.217 256 G C 0.052 174.979 174.900 0.044 0.000 1.159 256 G CA 0.131 45.301 45.100 0.118 0.000 0.760 256 G HN 0.284 nan 8.290 nan 0.000 0.550 257 A N -0.332 122.506 122.820 0.030 0.000 2.354 257 A HA 0.705 5.025 4.320 0.000 0.000 0.321 257 A C -0.617 176.888 177.584 -0.131 0.000 1.125 257 A CA -0.468 51.508 52.037 -0.102 0.000 0.799 257 A CB 1.770 20.738 19.000 -0.052 0.000 1.293 257 A HN 0.191 nan 8.150 nan 0.000 0.452 258 V N 2.928 122.660 119.914 -0.302 0.000 2.427 258 V HA 0.143 4.263 4.120 0.000 0.000 0.268 258 V C -0.263 175.813 176.094 -0.030 0.000 1.046 258 V CA -0.575 61.608 62.300 -0.196 0.000 0.970 258 V CB 0.309 31.972 31.823 -0.268 0.000 1.001 258 V HN 0.744 nan 8.190 nan 0.000 0.476 259 N N 5.902 124.643 118.700 0.068 0.000 2.422 259 N HA 0.538 5.278 4.740 0.000 0.000 0.266 259 N C -0.720 174.797 175.510 0.011 0.000 1.007 259 N CA -0.184 52.887 53.050 0.035 0.000 0.941 259 N CB 2.037 40.558 38.487 0.058 0.000 1.115 259 N HN 0.549 nan 8.380 nan 0.000 0.492 260 I N 1.403 121.959 120.570 -0.023 0.000 2.439 260 I HA 0.389 4.559 4.170 0.000 0.000 0.285 260 I C -0.142 175.940 176.117 -0.059 0.000 1.021 260 I CA -0.902 60.373 61.300 -0.042 0.000 1.091 260 I CB 1.716 39.686 38.000 -0.049 0.000 1.242 260 I HN 0.341 nan 8.210 nan 0.000 0.439 261 A N 6.465 129.245 122.820 -0.067 0.000 2.301 261 A HA 0.753 5.074 4.320 0.000 0.000 0.312 261 A C -0.291 177.238 177.584 -0.092 0.000 1.182 261 A CA -0.539 51.451 52.037 -0.079 0.000 0.826 261 A CB 1.083 20.036 19.000 -0.078 0.000 1.134 261 A HN 0.584 nan 8.150 nan 0.000 0.501 262 V N 1.078 120.929 119.914 -0.105 0.000 2.398 262 V HA 0.734 4.854 4.120 0.000 0.000 0.286 262 V C -0.557 175.465 176.094 -0.120 0.000 1.026 262 V CA -0.805 61.422 62.300 -0.121 0.000 0.868 262 V CB 1.122 32.858 31.823 -0.144 0.000 0.982 262 V HN 0.844 nan 8.190 nan 0.000 0.443 263 N N 2.963 121.601 118.700 -0.103 0.000 2.295 263 N HA 0.882 5.623 4.740 0.000 0.000 0.293 263 N C -0.103 175.373 175.510 -0.057 0.000 1.040 263 N CA 0.697 53.695 53.050 -0.088 0.000 0.840 263 N CB 2.313 40.762 38.487 -0.063 0.000 1.468 263 N HN 1.315 nan 8.380 nan 0.000 0.478 264 G N 1.544 110.312 108.800 -0.053 0.000 2.470 264 G HA2 0.002 3.963 3.960 0.000 0.000 0.145 264 G HA3 0.002 3.963 3.960 0.000 0.000 0.145 264 G C -0.661 174.237 174.900 -0.003 0.000 1.223 264 G CA -0.268 44.869 45.100 0.062 0.000 1.058 264 G HN 0.594 nan 8.290 nan 0.000 0.469 265 H N -0.423 118.569 119.070 -0.131 0.000 3.580 265 H HA 0.291 4.847 4.556 0.000 0.000 0.245 265 H C 0.633 175.728 175.328 -0.388 0.000 1.015 265 H CA 0.218 56.139 56.048 -0.210 0.000 1.113 265 H CB 0.460 30.085 29.762 -0.227 0.000 1.469 265 H HN 0.328 nan 8.280 nan 0.000 0.554 266 N N 3.977 122.554 118.700 -0.205 0.000 2.401 266 N HA 0.043 4.784 4.740 0.000 0.000 0.255 266 N C -1.675 173.784 175.510 -0.085 0.000 1.110 266 N CA -1.645 51.317 53.050 -0.148 0.000 0.949 266 N CB 1.194 39.681 38.487 0.000 0.000 1.110 266 N HN 0.069 nan 8.380 nan 0.000 0.490 267 P HA -0.148 nan 4.420 nan 0.000 0.226 267 P C 1.305 178.416 177.300 -0.316 0.000 1.153 267 P CA 0.950 63.907 63.100 -0.239 0.000 0.777 267 P CB 0.235 31.756 31.700 -0.297 0.000 0.794 268 M N -1.320 118.294 119.600 0.022 0.000 2.260 268 M HA -0.165 4.315 4.480 0.000 0.000 0.261 268 M C 1.906 178.346 176.300 0.234 0.000 1.066 268 M CA 1.463 56.987 55.300 0.374 0.000 1.082 268 M CB -0.406 32.492 32.600 0.497 0.000 1.388 268 M HN 0.007 nan 8.290 nan 0.000 0.419 269 L N -0.668 120.464 121.223 -0.153 0.000 2.187 269 L HA 0.003 4.343 4.340 0.000 0.000 0.197 269 L C 2.535 179.205 176.870 -0.333 0.000 1.090 269 L CA 2.023 56.535 54.840 -0.545 0.000 0.781 269 L CB -1.117 40.401 42.059 -0.902 0.000 0.956 269 L HN 0.294 nan 8.230 nan 0.000 0.463 270 S N -1.049 114.473 115.700 -0.297 0.000 2.372 270 S HA -0.310 4.160 4.470 0.000 0.000 0.227 270 S C 1.962 176.406 174.600 -0.260 0.000 1.044 270 S CA 1.639 59.686 58.200 -0.256 0.000 1.050 270 S CB -1.239 61.820 63.200 -0.235 0.000 0.901 270 S HN 0.647 nan 8.310 nan 0.000 0.447 271 D N 1.296 121.501 120.400 -0.325 0.000 2.104 271 D HA -0.120 4.520 4.640 0.000 0.000 0.194 271 D C 1.979 178.162 176.300 -0.195 0.000 0.994 271 D CA 1.495 55.291 54.000 -0.341 0.000 0.830 271 D CB -0.124 40.349 40.800 -0.545 0.000 0.959 271 D HN 0.352 nan 8.370 nan 0.000 0.452 272 I N 1.383 121.883 120.570 -0.117 0.000 2.286 272 I HA -0.219 3.952 4.170 0.000 0.000 0.248 272 I C 2.607 178.681 176.117 -0.073 0.000 1.115 272 I CA 0.594 61.858 61.300 -0.061 0.000 1.392 272 I CB -0.962 37.060 38.000 0.037 0.000 1.065 272 I HN 0.142 nan 8.210 nan 0.000 0.418 273 I N 0.176 120.680 120.570 -0.109 0.000 2.226 273 I HA -0.335 3.836 4.170 0.000 0.000 0.245 273 I C 2.696 178.746 176.117 -0.111 0.000 1.100 273 I CA 1.085 62.322 61.300 -0.104 0.000 1.374 273 I CB -0.339 37.580 38.000 -0.133 0.000 1.057 273 I HN 0.247 nan 8.210 nan 0.000 0.413 274 C N 0.506 119.714 119.300 -0.154 0.000 2.413 274 C HA -0.176 4.284 4.460 0.000 0.000 0.277 274 C C 2.433 177.354 174.990 -0.116 0.000 1.265 274 C CA 0.708 59.628 59.018 -0.163 0.000 1.752 274 C CB -1.009 26.563 27.740 -0.279 0.000 1.998 274 C HN 0.531 nan 8.230 nan 0.000 0.489 275 D N 0.635 120.975 120.400 -0.099 0.000 2.075 275 D HA -0.091 4.549 4.640 0.000 0.000 0.196 275 D C 2.200 178.475 176.300 -0.042 0.000 0.985 275 D CA 1.303 55.270 54.000 -0.054 0.000 0.834 275 D CB -0.499 40.277 40.800 -0.039 0.000 0.987 275 D HN 0.267 nan 8.370 nan 0.000 0.452 276 V N 2.010 121.900 119.914 -0.040 0.000 2.453 276 V HA -0.268 3.852 4.120 0.000 0.000 0.252 276 V C 2.555 178.628 176.094 -0.034 0.000 1.068 276 V CA 1.732 64.016 62.300 -0.028 0.000 1.070 276 V CB -0.898 30.914 31.823 -0.018 0.000 0.664 276 V HN 0.163 nan 8.190 nan 0.000 0.461 277 A N 0.343 123.134 122.820 -0.048 0.000 1.865 277 A HA -0.174 4.146 4.320 0.000 0.000 0.217 277 A C 2.499 180.056 177.584 -0.045 0.000 1.191 277 A CA 2.371 54.377 52.037 -0.052 0.000 0.623 277 A CB -0.993 17.967 19.000 -0.066 0.000 0.826 277 A HN 0.599 nan 8.150 nan 0.000 0.444 278 A N 0.099 122.894 122.820 -0.041 0.000 1.883 278 A HA -0.224 4.097 4.320 0.000 0.000 0.217 278 A C 1.621 179.190 177.584 -0.025 0.000 1.186 278 A CA 1.898 53.916 52.037 -0.030 0.000 0.624 278 A CB -0.727 18.260 19.000 -0.022 0.000 0.822 278 A HN 0.509 nan 8.150 nan 0.000 0.444 279 D N -0.523 119.864 120.400 -0.021 0.000 2.392 279 D HA -0.016 4.624 4.640 0.000 0.000 0.228 279 D C 1.147 177.436 176.300 -0.018 0.000 1.003 279 D CA 0.734 54.725 54.000 -0.016 0.000 0.917 279 D CB -0.032 40.761 40.800 -0.011 0.000 0.890 279 D HN 0.491 nan 8.370 nan 0.000 0.532 280 L N -0.089 121.118 121.223 -0.026 0.000 2.858 280 L HA 0.217 4.557 4.340 0.000 0.000 0.251 280 L C 2.192 179.037 176.870 -0.041 0.000 1.149 280 L CA -0.269 54.554 54.840 -0.029 0.000 0.955 280 L CB 0.318 42.359 42.059 -0.031 0.000 1.289 280 L HN -0.153 nan 8.230 nan 0.000 0.542 281 R N 1.416 121.891 120.500 -0.041 0.000 2.112 281 R HA -0.230 4.110 4.340 0.000 0.000 0.242 281 R C 1.351 177.622 176.300 -0.048 0.000 1.137 281 R CA 2.545 58.615 56.100 -0.050 0.000 0.944 281 R CB -0.340 29.937 30.300 -0.039 0.000 0.857 281 R HN 0.374 nan 8.270 nan 0.000 0.435 282 D N 0.371 120.752 120.400 -0.032 0.000 2.106 282 D HA -0.210 4.430 4.640 0.000 0.000 0.191 282 D C 1.825 178.109 176.300 -0.026 0.000 0.997 282 D CA 1.649 55.635 54.000 -0.024 0.000 0.834 282 D CB -0.377 40.415 40.800 -0.015 0.000 0.956 282 D HN 0.397 nan 8.370 nan 0.000 0.448 283 E N 1.006 121.190 120.200 -0.026 0.000 2.085 283 E HA -0.109 4.241 4.350 0.000 0.000 0.194 283 E C 2.131 178.710 176.600 -0.036 0.000 0.994 283 E CA 1.320 57.707 56.400 -0.022 0.000 0.801 283 E CB -0.366 29.324 29.700 -0.018 0.000 0.743 283 E HN 0.322 nan 8.360 nan 0.000 0.453 284 A N 0.595 123.375 122.820 -0.068 0.000 1.855 284 A HA -0.167 4.153 4.320 0.000 0.000 0.215 284 A C 2.269 179.775 177.584 -0.130 0.000 1.191 284 A CA 1.389 53.349 52.037 -0.128 0.000 0.613 284 A CB -0.778 18.118 19.000 -0.173 0.000 0.829 284 A HN 0.219 nan 8.150 nan 0.000 0.442 285 I N 0.006 120.519 120.570 -0.095 0.000 2.185 285 I HA -0.376 3.794 4.170 0.000 0.000 0.246 285 I C 2.973 179.076 176.117 -0.025 0.000 1.088 285 I CA 1.205 62.467 61.300 -0.063 0.000 1.347 285 I CB -0.471 37.505 38.000 -0.038 0.000 1.041 285 I HN 0.399 nan 8.210 nan 0.000 0.415 286 A N 0.949 123.760 122.820 -0.016 0.000 1.865 286 A HA -0.213 4.108 4.320 0.000 0.000 0.217 286 A C 2.472 180.076 177.584 0.033 0.000 1.191 286 A CA 2.004 54.046 52.037 0.009 0.000 0.623 286 A CB -1.015 17.989 19.000 0.007 0.000 0.826 286 A HN 0.452 nan 8.150 nan 0.000 0.444 287 A N -1.869 120.971 122.820 0.034 0.000 2.272 287 A HA 0.317 4.637 4.320 0.000 0.000 0.213 287 A C 1.799 179.500 177.584 0.195 0.000 1.183 287 A CA 1.573 53.669 52.037 0.099 0.000 0.719 287 A CB -1.193 17.867 19.000 0.100 0.000 0.771 287 A HN 2.145 nan 8.150 nan 0.000 0.484 288 G N -3.043 105.840 108.800 0.139 0.000 2.138 288 G HA2 0.171 4.131 3.960 0.000 0.000 0.193 288 G HA3 0.171 4.131 3.960 0.000 0.000 0.193 288 G C 0.190 175.249 174.900 0.265 0.000 0.998 288 G CA 0.034 45.270 45.100 0.226 0.000 0.668 288 G HN 1.626 nan 8.290 nan 0.000 0.516 289 A N 0.288 123.064 122.820 -0.073 0.000 2.621 289 A HA 0.875 5.195 4.320 0.000 0.000 0.329 289 A C 1.563 179.070 177.584 -0.129 0.000 1.458 289 A CA 0.884 52.706 52.037 -0.358 0.000 1.052 289 A CB 0.231 18.808 19.000 -0.704 0.000 1.142 289 A HN 1.766 nan 8.150 nan 0.000 0.523 290 A N 2.223 125.035 122.820 -0.015 0.000 1.859 290 A HA -0.201 4.119 4.320 0.000 0.000 0.218 290 A C 1.505 179.073 177.584 -0.027 0.000 1.209 290 A CA 1.937 53.974 52.037 0.000 0.000 0.639 290 A CB -0.460 18.562 19.000 0.036 0.000 0.835 290 A HN 0.758 nan 8.150 nan 0.000 0.450 291 E N -0.600 119.581 120.200 -0.032 0.000 2.463 291 E HA 0.348 4.698 4.350 0.000 0.000 0.191 291 E C 1.134 177.695 176.600 -0.066 0.000 1.083 291 E CA 0.120 56.499 56.400 -0.035 0.000 0.872 291 E CB -0.284 29.407 29.700 -0.015 0.000 0.966 291 E HN 0.774 nan 8.360 nan 0.000 0.491 292 G N 1.986 110.721 108.800 -0.108 0.000 2.509 292 G HA2 -0.317 3.644 3.960 0.000 0.000 0.259 292 G HA3 -0.317 3.644 3.960 0.000 0.000 0.259 292 G C -0.152 174.650 174.900 -0.162 0.000 1.169 292 G CA -0.338 44.685 45.100 -0.130 0.000 0.953 292 G HN 0.206 nan 8.290 nan 0.000 0.563 293 I N 1.733 122.234 120.570 -0.116 0.000 2.321 293 I HA 0.375 4.545 4.170 0.000 0.000 0.291 293 I C -0.158 175.914 176.117 -0.074 0.000 0.998 293 I CA -0.488 60.747 61.300 -0.107 0.000 1.227 293 I CB 1.655 39.603 38.000 -0.088 0.000 1.368 293 I HN 0.463 nan 8.210 nan 0.000 0.466 294 N N 8.464 127.126 118.700 -0.064 0.000 2.706 294 N HA 0.341 5.081 4.740 0.000 0.000 0.240 294 N C -0.655 174.832 175.510 -0.039 0.000 1.039 294 N CA -0.591 52.435 53.050 -0.041 0.000 0.888 294 N CB 0.586 39.059 38.487 -0.022 0.000 1.128 294 N HN 0.530 nan 8.380 nan 0.000 0.512 295 I N 1.688 122.228 120.570 -0.050 0.000 2.371 295 I HA 0.453 4.623 4.170 0.000 0.000 0.290 295 I C -0.021 176.062 176.117 -0.056 0.000 1.028 295 I CA -0.814 60.450 61.300 -0.059 0.000 1.345 295 I CB 0.567 38.520 38.000 -0.079 0.000 1.407 295 I HN 0.327 nan 8.210 nan 0.000 0.501 296 I N 3.095 123.632 120.570 -0.056 0.000 2.603 296 I HA 0.896 5.066 4.170 0.000 0.000 0.300 296 I C 0.255 176.327 176.117 -0.076 0.000 1.017 296 I CA -0.719 60.549 61.300 -0.053 0.000 1.098 296 I CB 1.812 39.789 38.000 -0.037 0.000 1.279 296 I HN 0.686 nan 8.210 nan 0.000 0.437 297 G N 5.003 113.752 108.800 -0.084 0.000 2.488 297 G HA2 0.771 4.732 3.960 0.000 0.000 0.318 297 G HA3 0.771 4.732 3.960 0.000 0.000 0.318 297 G C -0.873 173.945 174.900 -0.137 0.000 1.188 297 G CA -0.818 44.209 45.100 -0.121 0.000 0.944 297 G HN 0.658 nan 8.290 nan 0.000 0.495 298 I N -0.272 120.193 120.570 -0.175 0.000 2.610 298 I HA 0.259 4.429 4.170 0.000 0.000 0.289 298 I C 0.129 176.107 176.117 -0.232 0.000 1.163 298 I CA -0.383 60.815 61.300 -0.169 0.000 1.044 298 I CB 1.495 39.431 38.000 -0.107 0.000 1.251 298 I HN 0.784 nan 8.210 nan 0.000 0.424 299 C N 2.611 121.741 119.300 -0.282 0.000 0.168 299 C HA -0.286 4.174 4.460 0.000 0.000 0.017 299 C C 2.344 177.045 174.990 -0.480 0.000 0.171 299 C CA -0.007 58.854 59.018 -0.262 0.000 0.499 299 C CB -1.650 26.030 27.740 -0.099 0.000 3.212 299 C HN 1.042 nan 8.230 nan 0.000 1.118 300 C N -0.112 119.050 119.300 -0.231 0.000 2.388 300 C HA -0.174 4.286 4.460 0.000 0.000 0.277 300 C C 2.777 177.670 174.990 -0.162 0.000 1.210 300 C CA 2.367 61.312 59.018 -0.123 0.000 1.743 300 C CB -1.697 25.711 27.740 -0.553 0.000 2.047 300 C HN 1.033 nan 8.230 nan 0.000 0.458 301 T N -0.145 114.253 114.554 -0.260 0.000 2.778 301 T HA -0.094 4.256 4.350 0.000 0.000 0.269 301 T C 1.717 176.315 174.700 -0.169 0.000 1.050 301 T CA 2.065 64.059 62.100 -0.178 0.000 1.137 301 T CB -0.500 68.264 68.868 -0.174 0.000 0.860 301 T HN 0.676 nan 8.240 nan 0.000 0.468 302 G N -0.651 108.007 108.800 -0.237 0.000 2.402 302 G HA2 -0.155 3.805 3.960 0.000 0.000 0.216 302 G HA3 -0.155 3.805 3.960 0.000 0.000 0.216 302 G C 1.221 176.014 174.900 -0.178 0.000 1.162 302 G CA 0.853 45.810 45.100 -0.238 0.000 0.777 302 G HN 0.650 nan 8.290 nan 0.000 0.539 303 H N 0.221 119.285 119.070 -0.011 0.000 2.421 303 H HA 0.024 4.580 4.556 0.000 0.000 0.298 303 H C 2.571 177.881 175.328 -0.029 0.000 1.087 303 H CA 1.076 57.143 56.048 0.032 0.000 1.330 303 H CB 0.304 30.145 29.762 0.133 0.000 1.388 303 H HN 0.237 nan 8.280 nan 0.000 0.526 304 E N 0.588 120.826 120.200 0.063 0.000 2.031 304 E HA -0.142 4.208 4.350 0.000 0.000 0.193 304 E C 2.522 179.127 176.600 0.008 0.000 0.994 304 E CA 1.645 58.059 56.400 0.023 0.000 0.800 304 E CB -0.377 29.307 29.700 -0.027 0.000 0.752 304 E HN 0.504 nan 8.360 nan 0.000 0.447 305 V N -0.952 118.940 119.914 -0.037 0.000 2.871 305 V HA -0.046 4.074 4.120 0.000 0.000 0.256 305 V C 2.318 178.438 176.094 0.043 0.000 1.082 305 V CA 1.390 63.678 62.300 -0.019 0.000 1.105 305 V CB -0.538 31.201 31.823 -0.140 0.000 0.713 305 V HN 0.100 nan 8.190 nan 0.000 0.473 306 M N -0.697 118.910 119.600 0.012 0.000 2.236 306 M HA -0.035 4.445 4.480 0.000 0.000 0.266 306 M C 2.176 178.472 176.300 -0.007 0.000 1.070 306 M CA 1.646 56.958 55.300 0.019 0.000 1.137 306 M CB 0.003 32.626 32.600 0.037 0.000 1.378 306 M HN 0.283 nan 8.290 nan 0.000 0.426 307 M N 0.131 119.705 119.600 -0.044 0.000 2.077 307 M HA -0.130 4.351 4.480 0.000 0.000 0.261 307 M C 2.153 178.432 176.300 -0.035 0.000 1.070 307 M CA 1.746 56.994 55.300 -0.086 0.000 1.125 307 M CB -1.107 31.437 32.600 -0.092 0.000 1.339 307 M HN 0.314 nan 8.290 nan 0.000 0.409 308 R N -1.097 119.418 120.500 0.025 0.000 2.055 308 R HA -0.040 4.300 4.340 0.000 0.000 0.228 308 R C 0.473 176.656 176.300 -0.194 0.000 1.143 308 R CA 0.928 56.992 56.100 -0.061 0.000 0.945 308 R CB -0.275 30.037 30.300 0.021 0.000 0.841 308 R HN 0.417 nan 8.270 nan 0.000 0.429 309 H N -2.270 116.785 119.070 -0.025 0.000 2.649 309 H HA 0.285 4.841 4.556 0.000 0.000 0.337 309 H C 1.194 176.510 175.328 -0.021 0.000 1.282 309 H CA -0.321 55.714 56.048 -0.021 0.000 1.333 309 H CB 0.503 30.252 29.762 -0.022 0.000 1.787 309 H HN 0.137 nan 8.280 nan 0.000 0.632 310 G N -0.168 108.705 108.800 0.121 0.000 2.509 310 G HA2 -0.105 3.855 3.960 0.000 0.000 0.218 310 G HA3 -0.105 3.855 3.960 0.000 0.000 0.218 310 G C -0.092 174.839 174.900 0.051 0.000 1.124 310 G CA 0.269 45.408 45.100 0.064 0.000 0.776 310 G HN 0.438 nan 8.290 nan 0.000 0.547 311 V N 3.423 123.365 119.914 0.046 0.000 2.996 311 V HA -0.050 4.070 4.120 0.000 0.000 0.289 311 V C -1.401 174.699 176.094 0.010 0.000 1.171 311 V CA -0.461 61.841 62.300 0.004 0.000 1.298 311 V CB -0.277 31.524 31.823 -0.037 0.000 0.803 311 V HN 0.276 nan 8.190 nan 0.000 0.448 312 P HA 0.181 nan 4.420 nan 0.000 0.276 312 P C -0.550 176.753 177.300 0.006 0.000 1.230 312 P CA -0.573 62.540 63.100 0.021 0.000 0.776 312 P CB 1.303 33.016 31.700 0.022 0.000 0.888 313 L N 3.500 124.738 121.223 0.025 0.000 2.281 313 L HA 0.394 4.734 4.340 0.000 0.000 0.285 313 L C 1.363 178.234 176.870 0.001 0.000 1.074 313 L CA -0.007 54.833 54.840 -0.000 0.000 0.817 313 L CB 0.421 42.508 42.059 0.046 0.000 1.168 313 L HN 0.509 nan 8.230 nan 0.000 0.434 314 A N 3.436 126.239 122.820 -0.028 0.000 1.872 314 A HA 0.187 4.507 4.320 0.000 0.000 0.214 314 A C 1.063 178.639 177.584 -0.014 0.000 1.187 314 A CA 1.496 53.522 52.037 -0.019 0.000 0.614 314 A CB -0.246 18.731 19.000 -0.038 0.000 0.826 314 A HN 0.784 nan 8.150 nan 0.000 0.442 315 T N -3.521 111.017 114.554 -0.027 0.000 2.652 315 T HA 0.372 4.722 4.350 0.000 0.000 0.303 315 T C -1.101 173.592 174.700 -0.012 0.000 1.738 315 T CA -0.089 62.006 62.100 -0.008 0.000 0.969 315 T CB -0.164 68.698 68.868 -0.009 0.000 1.778 315 T HN 0.499 nan 8.240 nan 0.000 0.494 316 N N 0.291 119.008 118.700 0.029 0.000 2.592 316 N HA 0.310 5.050 4.740 0.000 0.000 0.290 316 N C 0.912 176.469 175.510 0.079 0.000 1.364 316 N CA -0.266 52.825 53.050 0.069 0.000 0.878 316 N CB -0.768 37.791 38.487 0.119 0.000 1.104 316 N HN 0.579 nan 8.380 nan 0.000 0.485 317 Y N 0.045 120.338 120.300 -0.012 0.000 2.090 317 Y HA 0.092 4.643 4.550 0.000 0.000 0.274 317 Y C 2.071 177.909 175.900 -0.104 0.000 1.110 317 Y CA 1.470 59.542 58.100 -0.047 0.000 1.092 317 Y CB -0.785 37.653 38.460 -0.037 0.000 0.992 317 Y HN 0.320 nan 8.280 nan 0.000 0.479 318 L N 0.013 121.010 121.223 -0.375 0.000 2.129 318 L HA -0.243 4.098 4.340 0.000 0.000 0.212 318 L C 1.954 178.528 176.870 -0.494 0.000 1.087 318 L CA 1.923 56.375 54.840 -0.647 0.000 0.757 318 L CB -0.775 40.964 42.059 -0.533 0.000 0.896 318 L HN 0.376 nan 8.230 nan 0.000 0.434 319 S N -1.142 114.474 115.700 -0.139 0.000 2.634 319 S HA -0.033 4.437 4.470 0.000 0.000 0.221 319 S C 1.477 176.042 174.600 -0.059 0.000 0.952 319 S CA -0.203 58.018 58.200 0.034 0.000 0.930 319 S CB -0.060 63.214 63.200 0.124 0.000 0.780 319 S HN 0.558 nan 8.310 nan 0.000 0.498 320 Q N 1.668 121.374 119.800 -0.156 0.000 2.364 320 Q HA -0.098 4.242 4.340 0.000 0.000 0.207 320 Q C 1.226 177.151 176.000 -0.126 0.000 0.970 320 Q CA 1.366 57.089 55.803 -0.133 0.000 0.888 320 Q CB -0.600 28.048 28.738 -0.150 0.000 0.951 320 Q HN 0.712 nan 8.270 nan 0.000 0.469 321 E N 0.757 120.879 120.200 -0.130 0.000 2.190 321 E HA -0.025 4.325 4.350 0.000 0.000 0.191 321 E C 1.808 178.350 176.600 -0.096 0.000 0.978 321 E CA 0.073 56.404 56.400 -0.115 0.000 0.839 321 E CB 0.079 29.711 29.700 -0.114 0.000 0.787 321 E HN 0.185 nan 8.360 nan 0.000 0.473 322 L N 1.162 122.356 121.223 -0.048 0.000 2.129 322 L HA -0.128 4.212 4.340 0.000 0.000 0.212 322 L C -0.538 176.283 176.870 -0.082 0.000 1.087 322 L CA 1.723 56.538 54.840 -0.041 0.000 0.757 322 L CB -2.171 39.886 42.059 -0.003 0.000 0.896 322 L HN 0.081 nan 8.230 nan 0.000 0.434 323 P HA -0.117 nan 4.420 nan 0.000 0.218 323 P C 2.105 179.307 177.300 -0.164 0.000 1.149 323 P CA 1.112 64.153 63.100 -0.099 0.000 0.817 323 P CB 0.122 31.770 31.700 -0.088 0.000 0.785 324 I N -1.344 119.080 120.570 -0.243 0.000 2.252 324 I HA -0.199 3.971 4.170 0.000 0.000 0.245 324 I C 2.136 177.817 176.117 -0.726 0.000 1.102 324 I CA 1.193 62.217 61.300 -0.459 0.000 1.385 324 I CB -0.789 36.928 38.000 -0.471 0.000 1.064 324 I HN -0.108 nan 8.210 nan 0.000 0.414 325 L N 0.137 121.099 121.223 -0.434 0.000 2.127 325 L HA -0.210 4.130 4.340 0.000 0.000 0.211 325 L C 2.556 179.411 176.870 -0.024 0.000 1.089 325 L CA 1.319 56.041 54.840 -0.196 0.000 0.757 325 L CB -1.356 40.704 42.059 0.000 0.000 0.899 325 L HN 0.262 nan 8.230 nan 0.000 0.434 326 T N -0.048 114.468 114.554 -0.065 0.000 2.822 326 T HA -0.160 4.190 4.350 0.000 0.000 0.270 326 T C 1.481 176.248 174.700 0.112 0.000 1.064 326 T CA 1.481 63.598 62.100 0.028 0.000 1.131 326 T CB -0.440 68.431 68.868 0.004 0.000 0.858 326 T HN 0.738 nan 8.240 nan 0.000 0.483 327 G N 0.244 109.105 108.800 0.101 0.000 2.155 327 G HA2 -0.160 3.800 3.960 0.000 0.000 0.257 327 G HA3 -0.160 3.800 3.960 0.000 0.000 0.257 327 G C 0.485 175.564 174.900 0.298 0.000 0.983 327 G CA 0.256 45.578 45.100 0.370 0.000 0.676 327 G HN 0.916 nan 8.290 nan 0.000 0.528 328 A N -1.001 121.934 122.820 0.192 0.000 2.610 328 A HA 0.706 5.026 4.320 0.000 0.000 0.291 328 A C 0.254 177.950 177.584 0.186 0.000 1.116 328 A CA 0.282 52.438 52.037 0.197 0.000 0.963 328 A CB 0.427 19.505 19.000 0.130 0.000 1.220 328 A HN 1.137 nan 8.150 nan 0.000 0.530 329 L N 0.512 121.802 121.223 0.110 0.000 2.272 329 L HA 0.542 4.883 4.340 0.000 0.000 0.284 329 L C 0.790 177.608 176.870 -0.087 0.000 1.045 329 L CA -0.099 54.736 54.840 -0.007 0.000 0.842 329 L CB 0.828 42.819 42.059 -0.113 0.000 1.224 329 L HN 0.238 nan 8.230 nan 0.000 0.430 330 E N 3.331 123.565 120.200 0.057 0.000 2.051 330 E HA 0.139 4.489 4.350 0.000 0.000 0.192 330 E C 0.201 176.753 176.600 -0.080 0.000 0.991 330 E CA 1.467 57.898 56.400 0.051 0.000 0.799 330 E CB -0.000 29.809 29.700 0.182 0.000 0.748 330 E HN 0.696 nan 8.360 nan 0.000 0.449 331 A N -0.656 122.128 122.820 -0.060 0.000 2.612 331 A HA 0.667 4.987 4.320 0.000 0.000 0.293 331 A C -1.419 176.119 177.584 -0.076 0.000 1.075 331 A CA -0.659 51.334 52.037 -0.073 0.000 0.680 331 A CB 1.291 20.267 19.000 -0.041 0.000 1.279 331 A HN 0.091 nan 8.150 nan 0.000 0.411 332 M N 2.324 121.876 119.600 -0.079 0.000 2.093 332 M HA 0.541 5.021 4.480 0.000 0.000 0.297 332 M C -1.825 174.432 176.300 -0.072 0.000 0.938 332 M CA -0.559 54.693 55.300 -0.079 0.000 0.920 332 M CB 1.260 33.809 32.600 -0.084 0.000 1.517 332 M HN 0.444 nan 8.290 nan 0.000 0.427 333 V N 6.068 125.932 119.914 -0.082 0.000 2.364 333 V HA 0.465 4.586 4.120 0.000 0.000 0.272 333 V C -0.138 175.901 176.094 -0.093 0.000 1.036 333 V CA -0.705 61.540 62.300 -0.091 0.000 0.880 333 V CB 0.869 32.623 31.823 -0.115 0.000 0.991 333 V HN 0.672 nan 8.190 nan 0.000 0.460 334 V N 1.990 121.861 119.914 -0.071 0.000 2.628 334 V HA 0.716 4.836 4.120 0.000 0.000 0.306 334 V C 0.161 176.228 176.094 -0.045 0.000 1.045 334 V CA -0.460 61.810 62.300 -0.050 0.000 0.905 334 V CB 1.938 33.750 31.823 -0.018 0.000 0.997 334 V HN 0.771 nan 8.190 nan 0.000 0.436 335 D N 3.587 123.964 120.400 -0.038 0.000 3.094 335 D HA 0.213 4.853 4.640 0.000 0.000 0.267 335 D C 0.184 176.504 176.300 0.033 0.000 1.542 335 D CA 0.369 54.355 54.000 -0.023 0.000 1.157 335 D CB 0.922 41.682 40.800 -0.068 0.000 1.098 335 D HN 0.496 nan 8.370 nan 0.000 0.340 336 V N 1.706 121.646 119.914 0.043 0.000 2.841 336 V HA 0.284 4.404 4.120 0.000 0.000 0.310 336 V C -1.075 175.042 176.094 0.038 0.000 1.090 336 V CA -0.918 61.411 62.300 0.050 0.000 0.930 336 V CB 1.617 33.473 31.823 0.055 0.000 1.014 336 V HN 0.617 nan 8.190 nan 0.000 0.425 337 Q N 3.040 122.838 119.800 -0.004 0.000 3.241 337 Q HA -0.262 4.078 4.340 0.000 0.000 0.026 337 Q C 0.169 176.199 176.000 0.050 0.000 1.714 337 Q CA 0.382 56.153 55.803 -0.055 0.000 0.238 337 Q CB -1.592 27.003 28.738 -0.239 0.000 0.587 337 Q HN 1.428 nan 8.270 nan 0.000 0.322 338 C N 1.170 120.500 119.300 0.050 0.000 4.497 338 C HA -0.166 4.294 4.460 0.000 0.000 0.292 338 C C 0.344 175.473 174.990 0.232 0.000 1.366 338 C CA 0.773 59.881 59.018 0.150 0.000 1.987 338 C CB -2.373 25.489 27.740 0.202 0.000 1.241 338 C HN 0.564 nan 8.230 nan 0.000 0.788 339 I N 0.535 121.191 120.570 0.143 0.000 2.382 339 I HA 0.316 4.486 4.170 0.000 0.000 0.285 339 I C 0.506 176.662 176.117 0.065 0.000 1.007 339 I CA -0.296 61.057 61.300 0.088 0.000 1.142 339 I CB 0.933 38.965 38.000 0.053 0.000 1.289 339 I HN 0.208 nan 8.210 nan 0.000 0.453 340 M N 7.690 127.304 119.600 0.024 0.000 2.252 340 M HA 0.108 4.589 4.480 0.000 0.000 0.348 340 M C -1.514 174.777 176.300 -0.015 0.000 1.334 340 M CA -1.012 54.278 55.300 -0.016 0.000 1.071 340 M CB 0.245 32.774 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 0.911 178.205 177.300 -0.010 0.000 1.167 341 P CA 0.795 63.895 63.100 -0.000 0.000 0.763 341 P CB 0.029 31.732 31.700 0.006 0.000 0.835 342 S N -1.251 114.433 115.700 -0.026 0.000 2.461 342 S HA -0.045 4.425 4.470 0.000 0.000 0.228 342 S C 1.843 176.426 174.600 -0.029 0.000 1.005 342 S CA 0.371 58.554 58.200 -0.028 0.000 0.942 342 S CB -1.190 61.982 63.200 -0.047 0.000 0.776 342 S HN -0.071 nan 8.310 nan 0.000 0.514 343 L N 2.369 123.567 121.223 -0.040 0.000 2.010 343 L HA -0.073 4.267 4.340 0.000 0.000 0.219 343 L C -0.328 176.526 176.870 -0.027 0.000 1.077 343 L CA 2.259 57.071 54.840 -0.046 0.000 0.773 343 L CB -2.798 39.231 42.059 -0.050 0.000 0.892 343 L HN 0.252 nan 8.230 nan 0.000 0.436 344 P HA -0.183 nan 4.420 nan 0.000 0.215 344 P C 1.752 179.061 177.300 0.015 0.000 1.163 344 P CA 1.594 64.696 63.100 0.003 0.000 0.894 344 P CB -0.131 31.575 31.700 0.010 0.000 0.791 345 R N -0.862 119.648 120.500 0.017 0.000 2.088 345 R HA -0.149 4.191 4.340 0.000 0.000 0.232 345 R C 2.243 178.574 176.300 0.052 0.000 1.136 345 R CA 1.608 57.727 56.100 0.032 0.000 0.926 345 R CB -1.667 28.649 30.300 0.026 0.000 0.837 345 R HN 0.143 nan 8.270 nan 0.000 0.429 346 I N 1.418 122.010 120.570 0.037 0.000 2.181 346 I HA -0.319 3.851 4.170 0.000 0.000 0.247 346 I C 2.559 178.735 176.117 0.098 0.000 1.081 346 I CA 1.878 63.212 61.300 0.058 0.000 1.340 346 I CB -0.646 37.347 38.000 -0.011 0.000 1.036 346 I HN 0.270 nan 8.210 nan 0.000 0.417 347 A N -0.143 122.698 122.820 0.035 0.000 2.014 347 A HA -0.108 4.212 4.320 0.000 0.000 0.218 347 A C 2.357 180.025 177.584 0.140 0.000 1.163 347 A CA 1.616 53.676 52.037 0.039 0.000 0.652 347 A CB -1.062 17.917 19.000 -0.035 0.000 0.808 347 A HN 0.457 nan 8.150 nan 0.000 0.449 348 E N -0.950 119.316 120.200 0.111 0.000 2.267 348 E HA -0.214 4.136 4.350 0.000 0.000 0.197 348 E C 1.682 178.361 176.600 0.132 0.000 0.998 348 E CA 1.537 57.997 56.400 0.100 0.000 0.830 348 E CB -1.569 28.170 29.700 0.065 0.000 0.751 348 E HN 0.744 nan 8.360 nan 0.000 0.491 349 C N -0.667 118.762 119.300 0.215 0.000 2.522 349 C HA 0.396 4.856 4.460 0.000 0.000 0.271 349 C C 0.825 175.825 174.990 0.017 0.000 1.425 349 C CA -0.394 58.702 59.018 0.129 0.000 1.751 349 C CB -1.401 26.434 27.740 0.159 0.000 1.775 349 C HN 0.564 nan 8.230 nan 0.000 0.557 350 F N -0.464 119.517 119.950 0.051 0.000 3.145 350 F HA 0.320 4.847 4.527 0.000 0.000 0.324 350 F C 1.722 177.606 175.800 0.139 0.000 1.467 350 F CA -0.530 57.542 58.000 0.120 0.000 1.048 350 F CB -0.365 38.725 39.000 0.150 0.000 1.698 350 F HN -0.001 nan 8.300 nan 0.000 0.427 351 H N -1.923 117.299 119.070 0.254 0.000 2.750 351 H HA 0.252 4.808 4.556 0.000 0.000 0.263 351 H C -0.020 175.366 175.328 0.097 0.000 0.964 351 H CA 0.456 56.578 56.048 0.123 0.000 1.205 351 H CB -1.435 28.377 29.762 0.084 0.000 1.454 351 H HN 0.253 nan 8.280 nan 0.000 0.503 352 T N 3.609 117.858 114.554 -0.508 0.000 2.903 352 T HA -0.024 4.326 4.350 0.000 0.000 0.299 352 T C 0.303 174.907 174.700 -0.160 0.000 1.041 352 T CA 0.382 62.234 62.100 -0.413 0.000 1.138 352 T CB 0.742 69.406 68.868 -0.340 0.000 1.040 352 T HN 0.311 nan 8.240 nan 0.000 0.524 353 Q N 2.001 121.726 119.800 -0.124 0.000 2.307 353 Q HA 0.386 4.727 4.340 0.000 0.000 0.262 353 Q C -0.478 175.488 176.000 -0.056 0.000 0.961 353 Q CA -0.666 55.103 55.803 -0.057 0.000 0.882 353 Q CB 1.819 30.539 28.738 -0.031 0.000 1.264 353 Q HN 0.483 nan 8.270 nan 0.000 0.446 354 I N 4.637 125.187 120.570 -0.034 0.000 2.307 354 I HA 0.320 4.490 4.170 0.000 0.000 0.287 354 I C 0.153 176.263 176.117 -0.011 0.000 1.054 354 I CA -0.422 60.860 61.300 -0.030 0.000 1.218 354 I CB 0.210 38.197 38.000 -0.021 0.000 1.398 354 I HN 0.468 nan 8.210 nan 0.000 0.475 355 I N 6.360 126.916 120.570 -0.024 0.000 2.307 355 I HA 0.161 4.332 4.170 0.000 0.000 0.289 355 I C 0.855 176.955 176.117 -0.027 0.000 1.021 355 I CA -0.360 60.926 61.300 -0.024 0.000 1.224 355 I CB 1.184 39.159 38.000 -0.042 0.000 1.376 355 I HN 0.508 nan 8.210 nan 0.000 0.470 356 T N 0.754 115.316 114.554 0.013 0.000 2.899 356 T HA 0.386 4.736 4.350 0.000 0.000 0.284 356 T C 0.831 175.474 174.700 -0.095 0.000 1.004 356 T CA -0.190 61.938 62.100 0.047 0.000 1.043 356 T CB 1.739 70.738 68.868 0.217 0.000 1.013 356 T HN 0.725 nan 8.240 nan 0.000 0.518 357 T N -3.237 111.282 114.554 -0.058 0.000 3.028 357 T HA 0.221 4.571 4.350 0.000 0.000 0.262 357 T C 0.079 174.794 174.700 0.025 0.000 0.916 357 T CA -0.265 61.751 62.100 -0.139 0.000 0.873 357 T CB 0.157 68.968 68.868 -0.096 0.000 1.232 357 T HN 0.688 nan 8.240 nan 0.000 0.529 358 D N 1.222 121.714 120.400 0.154 0.000 2.175 358 D HA 0.317 4.957 4.640 0.000 0.000 0.248 358 D C 0.660 177.106 176.300 0.244 0.000 1.047 358 D CA -0.398 53.701 54.000 0.166 0.000 0.883 358 D CB 1.961 42.833 40.800 0.120 0.000 1.180 358 D HN 0.049 nan 8.370 nan 0.000 0.438 359 K N 1.342 121.829 120.400 0.146 0.000 2.147 359 K HA -0.155 4.166 4.320 0.000 0.000 0.205 359 K C 0.615 177.351 176.600 0.227 0.000 1.049 359 K CA 0.951 57.313 56.287 0.126 0.000 0.936 359 K CB 0.021 32.535 32.500 0.023 0.000 0.722 359 K HN 0.431 nan 8.250 nan 0.000 0.446 360 H N -0.363 118.753 119.070 0.078 0.000 2.605 360 H HA 0.192 4.749 4.556 0.000 0.000 0.308 360 H C -0.277 175.082 175.328 0.053 0.000 1.080 360 H CA -0.152 55.929 56.048 0.055 0.000 1.119 360 H CB -0.165 29.637 29.762 0.067 0.000 1.479 360 H HN 0.080 nan 8.280 nan 0.000 0.537 361 N N 1.141 119.944 118.700 0.173 0.000 2.666 361 N HA 0.031 4.771 4.740 0.000 0.000 0.253 361 N C -1.026 174.549 175.510 0.108 0.000 1.621 361 N CA -0.096 53.027 53.050 0.122 0.000 0.785 361 N CB 0.611 39.172 38.487 0.123 0.000 1.332 361 N HN 0.170 nan 8.380 nan 0.000 0.514 362 K N 1.085 121.517 120.400 0.053 0.000 2.138 362 K HA 0.568 4.888 4.320 0.000 0.000 0.263 362 K C -0.214 176.400 176.600 0.023 0.000 0.965 362 K CA -0.461 55.838 56.287 0.020 0.000 0.868 362 K CB 2.146 34.588 32.500 -0.097 0.000 1.083 362 K HN 0.208 nan 8.250 nan 0.000 0.443 363 I N 1.441 122.032 120.570 0.035 0.000 2.436 363 I HA 0.121 4.291 4.170 0.000 0.000 0.289 363 I C -0.209 175.920 176.117 0.020 0.000 1.010 363 I CA -0.746 60.569 61.300 0.025 0.000 1.098 363 I CB 2.093 40.110 38.000 0.029 0.000 1.266 363 I HN 0.477 nan 8.210 nan 0.000 0.434 364 S N 4.345 120.052 115.700 0.012 0.000 2.546 364 S HA 0.311 4.781 4.470 0.000 0.000 0.290 364 S C 1.052 175.662 174.600 0.016 0.000 1.262 364 S CA 0.861 59.067 58.200 0.011 0.000 1.083 364 S CB 0.543 63.747 63.200 0.007 0.000 0.859 364 S HN 1.136 nan 8.310 nan 0.000 0.495 365 G N 2.216 111.028 108.800 0.020 0.000 2.376 365 G HA2 -0.124 3.836 3.960 0.000 0.000 0.208 365 G HA3 -0.124 3.836 3.960 0.000 0.000 0.208 365 G C 0.265 175.182 174.900 0.028 0.000 1.032 365 G CA -0.158 44.956 45.100 0.023 0.000 0.641 365 G HN 1.137 nan 8.290 nan 0.000 0.503 366 A N 0.719 123.559 122.820 0.033 0.000 2.386 366 A HA 0.639 4.960 4.320 0.000 0.000 0.246 366 A C 0.878 178.496 177.584 0.058 0.000 1.089 366 A CA 1.376 53.437 52.037 0.040 0.000 0.790 366 A CB 0.068 19.097 19.000 0.047 0.000 1.042 366 A HN 1.727 nan 8.150 nan 0.000 0.497 367 T N -0.639 113.948 114.554 0.055 0.000 2.749 367 T HA 0.471 4.821 4.350 0.000 0.000 0.287 367 T C -0.413 174.345 174.700 0.095 0.000 0.970 367 T CA -0.303 61.838 62.100 0.069 0.000 0.980 367 T CB 0.541 69.435 68.868 0.042 0.000 0.924 367 T HN 0.651 nan 8.240 nan 0.000 0.456 368 H N 2.144 121.225 119.070 0.020 0.000 2.580 368 H HA 0.537 5.093 4.556 0.000 0.000 0.322 368 H C -0.806 174.541 175.328 0.031 0.000 1.082 368 H CA -0.346 55.718 56.048 0.025 0.000 1.383 368 H CB 0.711 30.489 29.762 0.028 0.000 1.450 368 H HN 0.525 nan 8.280 nan 0.000 0.505 369 V N 8.502 128.205 119.914 -0.350 0.000 2.380 369 V HA 0.218 4.338 4.120 0.000 0.000 0.268 369 V C -2.261 173.672 176.094 -0.268 0.000 1.008 369 V CA -1.682 60.502 62.300 -0.193 0.000 0.823 369 V CB 0.955 32.728 31.823 -0.084 0.000 1.053 369 V HN 0.843 nan 8.190 nan 0.000 0.446 370 P HA -0.060 nan 4.420 nan 0.000 0.260 370 P C -0.625 176.694 177.300 0.032 0.000 1.172 370 P CA 0.324 63.377 63.100 -0.077 0.000 0.760 370 P CB 0.077 31.805 31.700 0.048 0.000 0.773 371 F N 4.649 124.541 119.950 -0.095 0.000 2.375 371 F HA 0.206 4.733 4.527 0.000 0.000 0.362 371 F C 0.189 175.971 175.800 -0.030 0.000 1.129 371 F CA -0.752 57.214 58.000 -0.057 0.000 1.154 371 F CB 0.159 39.124 39.000 -0.059 0.000 1.205 371 F HN 0.172 nan 8.300 nan 0.000 0.513 372 D N 5.281 125.426 120.400 -0.424 0.000 2.359 372 D HA 0.080 4.720 4.640 0.000 0.000 0.230 372 D C 0.657 176.573 176.300 -0.641 0.000 1.118 372 D CA -0.088 53.685 54.000 -0.378 0.000 0.844 372 D CB 1.215 41.924 40.800 -0.151 0.000 1.059 372 D HN 0.624 nan 8.370 nan 0.000 0.493 373 E N 1.912 121.709 120.200 -0.672 0.000 2.130 373 E HA -0.216 4.134 4.350 0.000 0.000 0.196 373 E C 1.272 177.663 176.600 -0.347 0.000 0.998 373 E CA 1.430 57.465 56.400 -0.609 0.000 0.806 373 E CB -0.278 29.085 29.700 -0.561 0.000 0.738 373 E HN 0.638 nan 8.360 nan 0.000 0.459 374 H N -0.078 118.865 119.070 -0.212 0.000 2.543 374 H HA 0.041 4.597 4.556 0.000 0.000 0.286 374 H C 0.364 175.606 175.328 -0.142 0.000 1.037 374 H CA 1.016 56.983 56.048 -0.135 0.000 1.250 374 H CB 0.183 29.878 29.762 -0.111 0.000 1.373 374 H HN -0.027 nan 8.280 nan 0.000 0.580 375 K N -0.563 119.784 120.400 -0.089 0.000 3.012 375 K HA 0.337 4.658 4.320 0.000 0.000 0.207 375 K C 0.919 177.448 176.600 -0.118 0.000 1.130 375 K CA 0.181 56.414 56.287 -0.088 0.000 1.021 375 K CB 1.294 33.758 32.500 -0.062 0.000 0.736 375 K HN 0.117 nan 8.250 nan 0.000 0.448 376 A N 0.777 123.523 122.820 -0.123 0.000 1.848 376 A HA -0.196 4.124 4.320 0.000 0.000 0.217 376 A C 2.052 179.711 177.584 0.125 0.000 1.220 376 A CA 2.074 54.114 52.037 0.005 0.000 0.645 376 A CB -0.829 18.324 19.000 0.256 0.000 0.842 376 A HN 0.104 nan 8.150 nan 0.000 0.451 377 V N 0.223 120.171 119.914 0.056 0.000 2.370 377 V HA -0.347 3.773 4.120 0.000 0.000 0.252 377 V C 2.432 178.548 176.094 0.036 0.000 1.068 377 V CA 2.580 64.901 62.300 0.035 0.000 1.061 377 V CB -1.110 30.708 31.823 -0.008 0.000 0.656 377 V HN 0.659 nan 8.190 nan 0.000 0.455 378 E N -0.255 119.956 120.200 0.018 0.000 2.077 378 E HA -0.175 4.175 4.350 0.000 0.000 0.193 378 E C 2.326 178.948 176.600 0.037 0.000 0.989 378 E CA 1.785 58.195 56.400 0.017 0.000 0.800 378 E CB -0.275 29.425 29.700 0.000 0.000 0.746 378 E HN 0.608 nan 8.360 nan 0.000 0.452 379 T N 0.791 115.381 114.554 0.060 0.000 2.857 379 T HA -0.069 4.281 4.350 0.000 0.000 0.266 379 T C 1.969 176.743 174.700 0.122 0.000 1.048 379 T CA 0.929 63.090 62.100 0.101 0.000 1.139 379 T CB -0.162 68.805 68.868 0.164 0.000 0.874 379 T HN 0.225 nan 8.240 nan 0.000 0.455 380 A N 2.233 125.142 122.820 0.149 0.000 1.865 380 A HA -0.199 4.122 4.320 0.000 0.000 0.217 380 A C 2.243 179.848 177.584 0.035 0.000 1.191 380 A CA 1.809 53.897 52.037 0.085 0.000 0.623 380 A CB -0.534 18.511 19.000 0.076 0.000 0.826 380 A HN 0.460 nan 8.150 nan 0.000 0.444 381 K N -0.990 119.429 120.400 0.031 0.000 2.074 381 K HA -0.134 4.186 4.320 0.000 0.000 0.209 381 K C 2.138 178.748 176.600 0.016 0.000 1.048 381 K CA 1.851 58.147 56.287 0.015 0.000 0.926 381 K CB -0.502 32.007 32.500 0.014 0.000 0.713 381 K HN 0.531 nan 8.250 nan 0.000 0.444 382 T N 1.697 116.265 114.554 0.023 0.000 2.708 382 T HA -0.119 4.231 4.350 0.000 0.000 0.266 382 T C 1.935 176.644 174.700 0.015 0.000 1.037 382 T CA 1.281 63.394 62.100 0.020 0.000 1.146 382 T CB -0.220 68.662 68.868 0.024 0.000 0.865 382 T HN 0.142 nan 8.240 nan 0.000 0.435 383 I N 0.651 121.228 120.570 0.012 0.000 2.142 383 I HA -0.137 4.033 4.170 0.000 0.000 0.240 383 I C 2.312 178.424 176.117 -0.007 0.000 1.078 383 I CA 1.408 62.706 61.300 -0.003 0.000 1.343 383 I CB -0.461 37.529 38.000 -0.017 0.000 1.046 383 I HN 0.203 nan 8.210 nan 0.000 0.405 384 I N 0.221 120.785 120.570 -0.010 0.000 2.286 384 I HA -0.278 3.893 4.170 0.000 0.000 0.248 384 I C 2.688 178.803 176.117 -0.003 0.000 1.115 384 I CA 1.123 62.413 61.300 -0.015 0.000 1.392 384 I CB -0.365 37.621 38.000 -0.023 0.000 1.065 384 I HN 0.166 nan 8.210 nan 0.000 0.418 385 R N 0.620 121.123 120.500 0.005 0.000 2.081 385 R HA -0.083 4.257 4.340 0.000 0.000 0.235 385 R C 2.242 178.558 176.300 0.027 0.000 1.131 385 R CA 1.541 57.650 56.100 0.015 0.000 0.960 385 R CB -0.528 29.781 30.300 0.016 0.000 0.856 385 R HN 0.292 nan 8.270 nan 0.000 0.436 386 M N -0.696 118.918 119.600 0.023 0.000 2.202 386 M HA -0.163 4.317 4.480 0.000 0.000 0.262 386 M C 2.109 178.436 176.300 0.044 0.000 1.063 386 M CA 1.886 57.204 55.300 0.030 0.000 1.097 386 M CB -0.243 32.367 32.600 0.018 0.000 1.382 386 M HN 0.247 nan 8.290 nan 0.000 0.413 387 A N 0.555 123.396 122.820 0.036 0.000 1.874 387 A HA -0.034 4.286 4.320 0.000 0.000 0.214 387 A C 1.972 179.618 177.584 0.103 0.000 1.189 387 A CA 1.002 53.072 52.037 0.056 0.000 0.615 387 A CB -0.738 18.275 19.000 0.021 0.000 0.830 387 A HN 0.443 nan 8.150 nan 0.000 0.443 388 I N 0.064 120.672 120.570 0.064 0.000 2.657 388 I HA -0.277 3.893 4.170 0.000 0.000 0.261 388 I C 2.649 178.859 176.117 0.156 0.000 1.212 388 I CA 0.849 62.193 61.300 0.073 0.000 1.453 388 I CB -0.265 37.744 38.000 0.015 0.000 1.092 388 I HN 0.389 nan 8.210 nan 0.000 0.452 389 A N 0.772 123.669 122.820 0.127 0.000 1.871 389 A HA 0.127 4.447 4.320 0.000 0.000 0.211 389 A C 2.558 180.235 177.584 0.154 0.000 1.207 389 A CA 0.996 53.106 52.037 0.123 0.000 0.620 389 A CB -0.798 18.250 19.000 0.080 0.000 0.860 389 A HN 0.335 nan 8.150 nan 0.000 0.450 390 A N -1.114 121.801 122.820 0.158 0.000 2.076 390 A HA -0.095 4.225 4.320 0.000 0.000 0.220 390 A C 1.915 179.671 177.584 0.287 0.000 1.160 390 A CA 1.624 53.780 52.037 0.198 0.000 0.653 390 A CB -0.792 18.302 19.000 0.156 0.000 0.801 390 A HN 0.680 nan 8.150 nan 0.000 0.455 391 F N 1.114 121.138 119.950 0.123 0.000 2.069 391 F HA -0.048 4.479 4.527 0.000 0.000 0.298 391 F C 2.165 177.992 175.800 0.045 0.000 1.113 391 F CA 1.694 59.753 58.000 0.098 0.000 1.214 391 F CB -0.769 38.266 39.000 0.057 0.000 0.978 391 F HN 0.186 nan 8.300 nan 0.000 0.474 392 G N -0.563 108.231 108.800 -0.009 0.000 2.776 392 G HA2 -0.163 3.797 3.960 0.000 0.000 0.209 392 G HA3 -0.163 3.797 3.960 0.000 0.000 0.209 392 G C 1.574 176.396 174.900 -0.129 0.000 1.145 392 G CA 0.247 45.265 45.100 -0.136 0.000 0.791 392 G HN 0.392 nan 8.290 nan 0.000 0.530 393 R N -0.333 120.113 120.500 -0.090 0.000 2.437 393 R HA 0.216 4.556 4.340 0.000 0.000 0.257 393 R C 1.099 177.290 176.300 -0.182 0.000 0.927 393 R CA -0.616 55.450 56.100 -0.057 0.000 1.078 393 R CB 0.136 30.471 30.300 0.059 0.000 1.161 393 R HN 0.236 nan 8.270 nan 0.000 0.529 394 R N 0.925 121.182 120.500 -0.405 0.000 2.491 394 R HA -0.013 4.327 4.340 0.000 0.000 0.283 394 R C -0.749 175.270 176.300 -0.469 0.000 1.072 394 R CA -0.082 55.522 56.100 -0.826 0.000 1.048 394 R CB 0.580 30.441 30.300 -0.732 0.000 0.983 394 R HN -0.084 nan 8.270 nan 0.000 0.450 395 D N 5.703 125.871 120.400 -0.386 0.000 2.338 395 D HA 0.067 4.707 4.640 0.000 0.000 0.255 395 D C -1.480 174.726 176.300 -0.156 0.000 1.237 395 D CA -2.048 51.835 54.000 -0.195 0.000 0.883 395 D CB 1.531 42.256 40.800 -0.125 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 0.406 177.674 177.300 -0.054 0.000 1.151 396 P CA 0.574 63.615 63.100 -0.099 0.000 0.787 396 P CB 0.548 32.190 31.700 -0.097 0.000 0.788 397 N N -0.162 118.507 118.700 -0.052 0.000 2.322 397 N HA 0.081 4.821 4.740 0.000 0.000 0.194 397 N C 1.378 176.876 175.510 -0.020 0.000 1.126 397 N CA 0.178 53.209 53.050 -0.032 0.000 0.845 397 N CB 0.233 38.699 38.487 -0.036 0.000 0.976 397 N HN 0.303 nan 8.380 nan 0.000 0.475 398 R N -0.041 120.451 120.500 -0.013 0.000 2.446 398 R HA 0.228 4.568 4.340 0.000 0.000 0.254 398 R C 0.236 176.587 176.300 0.084 0.000 0.918 398 R CA -0.126 55.985 56.100 0.019 0.000 1.069 398 R CB 0.870 31.160 30.300 -0.017 0.000 1.194 398 R HN -0.098 nan 8.270 nan 0.000 0.534 399 V N 1.572 121.523 119.914 0.062 0.000 3.032 399 V HA 0.214 4.335 4.120 0.000 0.000 0.307 399 V C 0.389 176.532 176.094 0.081 0.000 1.097 399 V CA 0.407 62.756 62.300 0.082 0.000 1.191 399 V CB 1.251 33.104 31.823 0.050 0.000 0.964 399 V HN 0.361 nan 8.190 nan 0.000 0.494 400 A N 5.530 128.403 122.820 0.088 0.000 2.330 400 A HA 0.527 4.847 4.320 0.000 0.000 0.303 400 A C -1.016 176.614 177.584 0.078 0.000 1.150 400 A CA -0.508 51.576 52.037 0.079 0.000 0.921 400 A CB 0.105 19.155 19.000 0.084 0.000 1.462 400 A HN 0.621 nan 8.150 nan 0.000 0.388 401 I N 2.849 123.465 120.570 0.077 0.000 2.328 401 I HA 0.337 4.507 4.170 0.000 0.000 0.287 401 I C -2.132 174.051 176.117 0.109 0.000 1.012 401 I CA -1.962 59.386 61.300 0.081 0.000 1.195 401 I CB 1.528 39.572 38.000 0.074 0.000 1.350 401 I HN 0.345 nan 8.210 nan 0.000 0.464 402 P HA -0.005 nan 4.420 nan 0.000 0.266 402 P C 0.595 178.058 177.300 0.273 0.000 1.193 402 P CA 0.039 63.312 63.100 0.290 0.000 0.770 402 P CB 0.896 32.789 31.700 0.321 0.000 0.836 403 A N 2.712 125.645 122.820 0.189 0.000 2.014 403 A HA -0.032 4.289 4.320 0.000 0.000 0.218 403 A C 0.668 178.271 177.584 0.032 0.000 1.163 403 A CA 0.255 52.304 52.037 0.020 0.000 0.652 403 A CB -1.167 17.758 19.000 -0.125 0.000 0.808 403 A HN 0.585 nan 8.150 nan 0.000 0.449 404 F N 0.610 120.569 119.950 0.015 0.000 2.374 404 F HA -0.027 4.500 4.527 0.000 0.000 0.405 404 F C 0.958 176.771 175.800 0.021 0.000 0.976 404 F CA 1.052 59.062 58.000 0.017 0.000 1.037 404 F CB 0.005 39.014 39.000 0.014 0.000 0.888 404 F HN 0.168 nan 8.300 nan 0.000 0.519 405 K N 3.488 123.973 120.400 0.142 0.000 2.950 405 K HA 0.149 4.469 4.320 0.000 0.000 0.199 405 K C -0.686 175.966 176.600 0.087 0.000 1.144 405 K CA -0.783 55.567 56.287 0.104 0.000 0.983 405 K CB 0.509 33.050 32.500 0.068 0.000 1.187 405 K HN 0.481 nan 8.250 nan 0.000 0.595 406 Q N 2.735 122.599 119.800 0.107 0.000 2.289 406 Q HA 0.096 4.437 4.340 0.000 0.000 0.273 406 Q C -0.966 175.085 176.000 0.085 0.000 1.029 406 Q CA 0.488 56.348 55.803 0.095 0.000 0.896 406 Q CB 0.786 29.588 28.738 0.108 0.000 1.182 406 Q HN 0.184 nan 8.270 nan 0.000 0.385 407 K N 1.510 121.955 120.400 0.076 0.000 2.185 407 K HA 0.517 4.837 4.320 0.000 0.000 0.271 407 K C -0.906 175.747 176.600 0.089 0.000 1.013 407 K CA -0.044 56.288 56.287 0.075 0.000 0.943 407 K CB 1.201 33.739 32.500 0.064 0.000 0.998 407 K HN 0.663 nan 8.250 nan 0.000 0.468 408 S N 1.552 117.311 115.700 0.100 0.000 2.540 408 S HA 0.533 5.003 4.470 0.000 0.000 0.275 408 S C -0.697 173.985 174.600 0.137 0.000 1.123 408 S CA -0.801 57.473 58.200 0.122 0.000 0.907 408 S CB 1.011 64.300 63.200 0.148 0.000 1.081 408 S HN 0.389 nan 8.310 nan 0.000 0.476 409 I N 3.143 123.810 120.570 0.162 0.000 2.330 409 I HA 0.433 4.603 4.170 0.000 0.000 0.286 409 I C -0.036 176.287 176.117 0.344 0.000 1.025 409 I CA -0.575 60.858 61.300 0.223 0.000 1.197 409 I CB 0.803 38.944 38.000 0.235 0.000 1.358 409 I HN 0.513 nan 8.210 nan 0.000 0.467 410 V N 2.030 122.125 119.914 0.302 0.000 3.182 410 V HA 0.970 5.090 4.120 0.000 0.000 0.311 410 V C 0.631 176.840 176.094 0.193 0.000 1.221 410 V CA -0.310 62.189 62.300 0.331 0.000 1.060 410 V CB 1.303 33.204 31.823 0.131 0.000 1.164 410 V HN 0.888 nan 8.190 nan 0.000 0.466 411 G N -0.342 108.525 108.800 0.111 0.000 2.167 411 G HA2 -0.169 3.791 3.960 0.000 0.000 0.194 411 G HA3 -0.169 3.791 3.960 0.000 0.000 0.194 411 G C -0.613 174.190 174.900 -0.162 0.000 1.027 411 G CA 0.066 45.127 45.100 -0.065 0.000 0.717 411 G HN 0.948 nan 8.290 nan 0.000 0.501 412 F N 3.093 123.053 119.950 0.016 0.000 2.509 412 F HA 0.465 4.992 4.527 0.000 0.000 0.344 412 F C 1.442 177.264 175.800 0.036 0.000 1.197 412 F CA -0.323 57.697 58.000 0.033 0.000 1.294 412 F CB 0.233 39.264 39.000 0.051 0.000 1.643 412 F HN 0.317 nan 8.300 nan 0.000 0.596 413 S N 0.304 116.049 115.700 0.074 0.000 2.589 413 S HA 0.413 4.883 4.470 0.000 0.000 0.265 413 S C 1.522 176.173 174.600 0.084 0.000 1.342 413 S CA -0.322 57.922 58.200 0.072 0.000 1.005 413 S CB 1.310 64.527 63.200 0.029 0.000 0.909 413 S HN 0.532 nan 8.310 nan 0.000 0.555 414 A N 0.758 123.624 122.820 0.076 0.000 1.978 414 A HA -0.086 4.234 4.320 0.000 0.000 0.220 414 A C 2.001 179.617 177.584 0.053 0.000 1.170 414 A CA 1.815 53.894 52.037 0.070 0.000 0.636 414 A CB -1.071 17.964 19.000 0.057 0.000 0.810 414 A HN 0.889 nan 8.150 nan 0.000 0.448 415 E N 0.084 120.307 120.200 0.038 0.000 2.017 415 E HA -0.019 4.332 4.350 0.000 0.000 0.193 415 E C 2.355 178.961 176.600 0.009 0.000 0.997 415 E CA 1.413 57.826 56.400 0.021 0.000 0.804 415 E CB -0.633 29.075 29.700 0.013 0.000 0.757 415 E HN 0.530 nan 8.360 nan 0.000 0.448 416 A N 0.652 123.464 122.820 -0.014 0.000 1.927 416 A HA -0.252 4.069 4.320 0.000 0.000 0.220 416 A C 2.521 180.104 177.584 -0.001 0.000 1.185 416 A CA 1.964 53.964 52.037 -0.061 0.000 0.639 416 A CB -1.037 17.858 19.000 -0.175 0.000 0.820 416 A HN 0.161 nan 8.150 nan 0.000 0.451 417 V N -0.608 119.351 119.914 0.075 0.000 2.343 417 V HA -0.222 3.898 4.120 0.000 0.000 0.247 417 V C 2.535 178.674 176.094 0.075 0.000 1.051 417 V CA 2.010 64.387 62.300 0.128 0.000 1.036 417 V CB -0.623 31.287 31.823 0.143 0.000 0.654 417 V HN 0.400 nan 8.190 nan 0.000 0.451 418 V N 0.127 120.071 119.914 0.050 0.000 2.548 418 V HA -0.145 3.975 4.120 0.000 0.000 0.249 418 V C 2.622 178.730 176.094 0.024 0.000 1.055 418 V CA 1.567 63.888 62.300 0.034 0.000 1.065 418 V CB -0.940 30.899 31.823 0.027 0.000 0.681 418 V HN 0.540 nan 8.190 nan 0.000 0.462 419 A N 0.263 123.091 122.820 0.015 0.000 1.902 419 A HA -0.086 4.235 4.320 0.000 0.000 0.217 419 A C 2.422 180.011 177.584 0.008 0.000 1.181 419 A CA 1.984 54.022 52.037 0.002 0.000 0.623 419 A CB -0.658 18.331 19.000 -0.017 0.000 0.818 419 A HN 0.540 nan 8.150 nan 0.000 0.443 420 A N -0.255 122.579 122.820 0.022 0.000 1.898 420 A HA 0.019 4.339 4.320 0.000 0.000 0.216 420 A C 2.059 179.665 177.584 0.037 0.000 1.181 420 A CA 1.341 53.400 52.037 0.037 0.000 0.620 420 A CB -0.597 18.449 19.000 0.077 0.000 0.819 420 A HN 0.456 nan 8.150 nan 0.000 0.442 421 L N -0.659 120.588 121.223 0.040 0.000 2.353 421 L HA -0.163 4.177 4.340 0.000 0.000 0.220 421 L C 2.885 179.768 176.870 0.022 0.000 1.133 421 L CA 0.615 55.474 54.840 0.033 0.000 0.798 421 L CB -0.436 41.642 42.059 0.033 0.000 0.922 421 L HN 0.471 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 -0.143 4.177 4.320 0.000 0.000 0.215 422 A C 1.911 179.501 177.584 0.010 0.000 1.181 422 A CA 1.048 53.091 52.037 0.011 0.000 0.620 422 A CB -0.191 18.812 19.000 0.006 0.000 0.821 422 A HN 0.117 nan 8.150 nan 0.000 0.443 423 K N -0.644 119.764 120.400 0.012 0.000 2.699 423 K HA 0.179 4.499 4.320 0.000 0.000 0.205 423 K C 0.588 177.196 176.600 0.014 0.000 1.008 423 K CA 0.599 56.893 56.287 0.011 0.000 1.100 423 K CB 0.017 32.524 32.500 0.012 0.000 0.878 423 K HN 0.269 nan 8.250 nan 0.000 0.496 424 V N -1.215 118.708 119.914 0.014 0.000 3.509 424 V HA 0.242 4.362 4.120 0.000 0.000 0.286 424 V C -1.160 174.941 176.094 0.011 0.000 1.618 424 V CA -0.153 62.156 62.300 0.014 0.000 1.088 424 V CB -0.053 31.780 31.823 0.018 0.000 0.909 424 V HN 0.520 nan 8.190 nan 0.000 0.429 425 N N -0.302 118.405 118.700 0.010 0.000 4.193 425 N HA 0.197 4.938 4.740 0.000 0.000 0.161 425 N C 0.452 175.966 175.510 0.007 0.000 1.406 425 N CA 0.608 53.663 53.050 0.008 0.000 0.884 425 N CB 0.552 39.044 38.487 0.009 0.000 1.738 425 N HN 0.148 nan 8.380 nan 0.000 0.780 426 A N 1.418 124.241 122.820 0.005 0.000 2.121 426 A HA -0.111 4.209 4.320 0.000 0.000 0.218 426 A C 1.454 179.040 177.584 0.003 0.000 1.154 426 A CA 1.323 53.362 52.037 0.003 0.000 0.679 426 A CB -0.070 18.930 19.000 0.001 0.000 0.795 426 A HN 0.729 nan 8.150 nan 0.000 0.458 427 D N 0.099 120.501 120.400 0.003 0.000 2.149 427 D HA -0.018 4.622 4.640 0.000 0.000 0.206 427 D C -0.257 176.045 176.300 0.003 0.000 0.967 427 D CA 0.823 54.825 54.000 0.002 0.000 0.848 427 D CB -0.014 40.788 40.800 0.002 0.000 0.998 427 D HN 0.370 nan 8.370 nan 0.000 0.474 428 D N 0.388 120.791 120.400 0.005 0.000 2.400 428 D HA 0.167 4.807 4.640 0.000 0.000 0.272 428 D C -1.943 174.362 176.300 0.008 0.000 1.220 428 D CA -1.347 52.656 54.000 0.006 0.000 0.897 428 D CB 2.366 43.169 40.800 0.005 0.000 1.134 428 D HN -0.124 nan 8.370 nan 0.000 0.507 429 P HA -0.118 nan 4.420 nan 0.000 0.218 429 P C 1.509 178.818 177.300 0.015 0.000 1.148 429 P CA 0.520 63.628 63.100 0.013 0.000 0.822 429 P CB 0.511 32.219 31.700 0.014 0.000 0.784 430 L N -0.861 120.370 121.223 0.013 0.000 2.313 430 L HA -0.053 4.287 4.340 0.000 0.000 0.214 430 L C 2.281 179.158 176.870 0.011 0.000 1.119 430 L CA 1.475 56.323 54.840 0.013 0.000 0.809 430 L CB -1.338 40.727 42.059 0.011 0.000 0.933 430 L HN -0.116 nan 8.230 nan 0.000 0.449 431 K N 1.207 121.613 120.400 0.009 0.000 1.988 431 K HA -0.182 4.138 4.320 0.000 0.000 0.221 431 K C -0.646 175.959 176.600 0.009 0.000 1.053 431 K CA 2.272 58.564 56.287 0.008 0.000 0.959 431 K CB -1.571 30.933 32.500 0.007 0.000 0.728 431 K HN 0.175 nan 8.250 nan 0.000 0.447 432 P HA -0.223 nan 4.420 nan 0.000 0.216 432 P C 1.663 178.970 177.300 0.012 0.000 1.153 432 P CA 1.333 64.440 63.100 0.012 0.000 0.858 432 P CB -0.219 31.490 31.700 0.014 0.000 0.789 433 L N 0.045 121.277 121.223 0.014 0.000 2.046 433 L HA -0.100 4.240 4.340 0.000 0.000 0.208 433 L C 2.379 179.254 176.870 0.009 0.000 1.077 433 L CA 1.841 56.689 54.840 0.013 0.000 0.747 433 L CB -1.154 40.915 42.059 0.016 0.000 0.896 433 L HN -0.130 nan 8.230 nan 0.000 0.432 434 V N 0.689 120.607 119.914 0.008 0.000 2.261 434 V HA -0.295 3.825 4.120 0.000 0.000 0.246 434 V C 2.442 178.539 176.094 0.004 0.000 1.047 434 V CA 2.031 64.334 62.300 0.005 0.000 1.015 434 V CB -0.651 31.174 31.823 0.004 0.000 0.642 434 V HN 0.438 nan 8.190 nan 0.000 0.446 435 D N 0.461 120.864 120.400 0.005 0.000 2.156 435 D HA -0.209 4.431 4.640 0.000 0.000 0.190 435 D C 1.985 178.288 176.300 0.006 0.000 0.998 435 D CA 1.645 55.648 54.000 0.005 0.000 0.842 435 D CB -0.684 40.120 40.800 0.006 0.000 0.974 435 D HN 0.380 nan 8.370 nan 0.000 0.447 436 N N 0.490 119.195 118.700 0.008 0.000 2.247 436 N HA -0.131 4.609 4.740 0.000 0.000 0.189 436 N C 1.908 177.423 175.510 0.008 0.000 1.009 436 N CA 0.558 53.613 53.050 0.009 0.000 0.872 436 N CB -0.103 38.391 38.487 0.011 0.000 0.980 436 N HN 0.109 nan 8.380 nan 0.000 0.436 437 V N 0.378 120.295 119.914 0.005 0.000 2.788 437 V HA -0.068 4.052 4.120 0.000 0.000 0.251 437 V C 2.285 178.378 176.094 -0.002 0.000 1.068 437 V CA 0.702 63.002 62.300 0.001 0.000 1.090 437 V CB 0.035 31.855 31.823 -0.004 0.000 0.710 437 V HN 0.038 nan 8.190 nan 0.000 0.467 438 V N 1.989 121.903 119.914 -0.000 0.000 2.488 438 V HA -0.161 3.959 4.120 0.000 0.000 0.246 438 V C 2.271 178.366 176.094 0.001 0.000 1.046 438 V CA 2.082 64.381 62.300 -0.001 0.000 1.053 438 V CB -0.885 30.938 31.823 -0.000 0.000 0.679 438 V HN 0.861 nan 8.190 nan 0.000 0.458 439 N N 0.664 119.367 118.700 0.005 0.000 2.300 439 N HA 0.155 4.895 4.740 0.000 0.000 0.179 439 N C 1.374 176.890 175.510 0.010 0.000 1.016 439 N CA 1.659 54.713 53.050 0.007 0.000 0.876 439 N CB 0.077 38.569 38.487 0.008 0.000 0.979 439 N HN 0.420 nan 8.380 nan 0.000 0.432 440 G N -0.986 107.821 108.800 0.012 0.000 2.367 440 G HA2 -0.233 3.728 3.960 0.000 0.000 0.181 440 G HA3 -0.233 3.728 3.960 0.000 0.000 0.181 440 G C 0.804 175.720 174.900 0.026 0.000 1.000 440 G CA 0.134 45.246 45.100 0.019 0.000 0.693 440 G HN 0.226 nan 8.290 nan 0.000 0.480 441 N N 0.316 119.029 118.700 0.021 0.000 2.094 441 N HA -0.063 4.677 4.740 0.000 0.000 0.191 441 N C 0.858 176.384 175.510 0.028 0.000 1.023 441 N CA 1.293 54.357 53.050 0.023 0.000 0.857 441 N CB 0.122 38.619 38.487 0.017 0.000 1.013 441 N HN 0.495 nan 8.380 nan 0.000 0.426 442 I N 1.790 122.374 120.570 0.023 0.000 2.371 442 I HA 0.082 4.252 4.170 0.000 0.000 0.282 442 I C 0.983 177.114 176.117 0.023 0.000 1.031 442 I CA -0.399 60.915 61.300 0.024 0.000 1.180 442 I CB 1.786 39.793 38.000 0.013 0.000 1.336 442 I HN -0.119 nan 8.210 nan 0.000 0.467 443 Q N 3.878 123.706 119.800 0.046 0.000 2.084 443 Q HA 0.028 4.368 4.340 0.000 0.000 0.202 443 Q C 0.942 176.929 176.000 -0.022 0.000 0.978 443 Q CA 0.956 56.776 55.803 0.029 0.000 0.844 443 Q CB 0.284 29.098 28.738 0.127 0.000 0.898 443 Q HN 0.891 nan 8.270 nan 0.000 0.426 444 G N -1.231 107.567 108.800 -0.003 0.000 2.428 444 G HA2 0.511 4.472 3.960 0.000 0.000 0.304 444 G HA3 0.511 4.472 3.960 0.000 0.000 0.304 444 G C -1.613 173.273 174.900 -0.023 0.000 1.303 444 G CA -0.834 44.248 45.100 -0.030 0.000 0.825 444 G HN 0.038 nan 8.290 nan 0.000 0.484 445 I N 0.117 120.661 120.570 -0.045 0.000 2.533 445 I HA 0.557 4.727 4.170 0.000 0.000 0.290 445 I C -0.725 175.330 176.117 -0.104 0.000 1.056 445 I CA -1.176 60.088 61.300 -0.059 0.000 1.057 445 I CB 2.194 40.166 38.000 -0.047 0.000 1.240 445 I HN 0.353 nan 8.210 nan 0.000 0.423 446 V N 7.396 127.217 119.914 -0.156 0.000 2.459 446 V HA 0.482 4.602 4.120 0.000 0.000 0.295 446 V C -0.838 175.047 176.094 -0.349 0.000 1.029 446 V CA -0.534 61.587 62.300 -0.298 0.000 0.874 446 V CB 2.062 33.618 31.823 -0.445 0.000 0.985 446 V HN 0.540 nan 8.190 nan 0.000 0.438 447 L N 7.369 128.399 121.223 -0.322 0.000 2.276 447 L HA 0.558 4.898 4.340 0.000 0.000 0.286 447 L C -1.206 175.522 176.870 -0.237 0.000 1.024 447 L CA -0.358 54.360 54.840 -0.203 0.000 0.826 447 L CB 1.115 43.121 42.059 -0.087 0.000 1.211 447 L HN 0.628 nan 8.230 nan 0.000 0.422 448 F N 5.266 125.241 119.950 0.042 0.000 2.404 448 F HA 0.407 4.934 4.527 0.000 0.000 0.358 448 F C 0.466 176.256 175.800 -0.017 0.000 1.120 448 F CA -0.481 57.558 58.000 0.065 0.000 1.144 448 F CB 1.565 40.676 39.000 0.185 0.000 1.133 448 F HN 0.296 nan 8.300 nan 0.000 0.495 449 V N 1.146 121.161 119.914 0.168 0.000 3.102 449 V HA 1.088 5.208 4.120 0.000 0.000 0.312 449 V C -0.277 175.874 176.094 0.094 0.000 1.135 449 V CA -0.405 61.933 62.300 0.063 0.000 1.022 449 V CB 1.353 33.182 31.823 0.010 0.000 1.056 449 V HN 1.103 nan 8.190 nan 0.000 0.436 450 G N 0.044 108.883 108.800 0.064 0.000 2.353 450 G HA2 0.263 4.223 3.960 0.000 0.000 0.424 450 G HA3 0.263 4.223 3.960 0.000 0.000 0.424 450 G C -0.549 174.426 174.900 0.125 0.000 1.320 450 G CA -0.065 45.104 45.100 0.116 0.000 0.995 450 G HN 1.504 nan 8.290 nan 0.000 0.580 451 C N -1.018 118.350 119.300 0.113 0.000 2.511 451 C HA 0.869 5.329 4.460 0.000 0.000 0.221 451 C C 0.108 175.175 174.990 0.128 0.000 2.963 451 C CA -0.805 58.250 59.018 0.062 0.000 1.934 451 C CB 0.821 28.500 27.740 -0.101 0.000 2.827 451 C HN 0.761 nan 8.230 nan 0.000 0.360 452 N N 0.612 119.354 118.700 0.070 0.000 2.577 452 N HA 0.319 5.059 4.740 0.000 0.000 0.275 452 N C -1.016 174.509 175.510 0.025 0.000 1.091 452 N CA 0.145 53.236 53.050 0.068 0.000 0.843 452 N CB 1.571 40.150 38.487 0.154 0.000 1.295 452 N HN 0.654 nan 8.380 nan 0.000 0.530 453 T N -0.456 114.052 114.554 -0.077 0.000 2.922 453 T HA 0.280 4.631 4.350 0.000 0.000 0.285 453 T C 1.425 176.011 174.700 -0.191 0.000 1.005 453 T CA -0.194 61.838 62.100 -0.114 0.000 1.061 453 T CB 0.649 69.444 68.868 -0.122 0.000 1.007 453 T HN 0.521 nan 8.240 nan 0.000 0.502 454 T N 1.174 115.537 114.554 -0.319 0.000 3.067 454 T HA 0.130 4.480 4.350 0.000 0.000 0.261 454 T C 1.361 175.697 174.700 -0.607 0.000 1.110 454 T CA 0.413 62.180 62.100 -0.555 0.000 1.113 454 T CB -0.099 68.208 68.868 -0.934 0.000 0.917 454 T HN 0.656 nan 8.240 nan 0.000 0.499 455 K N 1.003 121.173 120.400 -0.384 0.000 2.589 455 K HA 0.295 4.615 4.320 0.000 0.000 0.192 455 K C -0.374 176.162 176.600 -0.107 0.000 1.029 455 K CA 0.030 56.208 56.287 -0.183 0.000 1.031 455 K CB 0.123 32.585 32.500 -0.064 0.000 0.821 455 K HN 0.254 nan 8.250 nan 0.000 0.502 456 V N 0.962 120.797 119.914 -0.132 0.000 2.969 456 V HA 0.052 4.172 4.120 0.000 0.000 0.304 456 V C -0.766 175.287 176.094 -0.068 0.000 1.192 456 V CA -1.165 61.080 62.300 -0.093 0.000 0.962 456 V CB 2.174 33.920 31.823 -0.128 0.000 1.045 456 V HN 0.106 nan 8.190 nan 0.000 0.428 457 Q N 3.246 123.024 119.800 -0.037 0.000 2.247 457 Q HA 0.031 4.372 4.340 0.000 0.000 0.288 457 Q C 0.974 176.973 176.000 -0.002 0.000 1.079 457 Q CA 0.113 55.918 55.803 0.003 0.000 0.932 457 Q CB 0.441 29.172 28.738 -0.012 0.000 1.133 457 Q HN 0.618 nan 8.270 nan 0.000 0.377 458 Q N 1.969 121.829 119.800 0.100 0.000 2.473 458 Q HA -0.335 4.005 4.340 0.000 0.000 0.238 458 Q C -0.003 176.000 176.000 0.005 0.000 1.088 458 Q CA 2.230 58.102 55.803 0.115 0.000 0.989 458 Q CB -0.170 28.664 28.738 0.160 0.000 0.972 458 Q HN 0.754 nan 8.270 nan 0.000 0.543 459 D N -0.872 119.523 120.400 -0.009 0.000 2.696 459 D HA 0.152 4.792 4.640 0.000 0.000 0.269 459 D C 0.868 177.128 176.300 -0.066 0.000 1.319 459 D CA 0.199 54.183 54.000 -0.026 0.000 0.826 459 D CB 0.377 41.188 40.800 0.018 0.000 1.086 459 D HN 0.155 nan 8.370 nan 0.000 0.481 460 S N 1.036 116.679 115.700 -0.095 0.000 2.349 460 S HA -0.176 4.294 4.470 0.000 0.000 0.216 460 S C 2.160 176.709 174.600 -0.086 0.000 1.033 460 S CA 1.638 59.794 58.200 -0.073 0.000 1.021 460 S CB 0.097 63.259 63.200 -0.063 0.000 0.968 460 S HN 0.297 nan 8.310 nan 0.000 0.426 461 A N 0.340 123.070 122.820 -0.151 0.000 1.892 461 A HA -0.100 4.220 4.320 0.000 0.000 0.218 461 A C 1.981 179.525 177.584 -0.066 0.000 1.188 461 A CA 1.912 53.880 52.037 -0.115 0.000 0.631 461 A CB -1.460 17.444 19.000 -0.160 0.000 0.822 461 A HN 0.794 nan 8.150 nan 0.000 0.447 462 Y N -0.361 119.834 120.300 -0.175 0.000 2.040 462 Y HA -0.297 4.253 4.550 0.000 0.000 0.275 462 Y C 2.657 178.482 175.900 -0.126 0.000 1.171 462 Y CA 1.207 59.092 58.100 -0.358 0.000 1.123 462 Y CB -0.476 37.577 38.460 -0.678 0.000 0.963 462 Y HN 0.155 nan 8.280 nan 0.000 0.493 463 V N 0.182 120.159 119.914 0.105 0.000 2.295 463 V HA -0.295 3.825 4.120 0.000 0.000 0.246 463 V C 1.665 177.770 176.094 0.018 0.000 1.049 463 V CA 2.109 64.470 62.300 0.102 0.000 1.024 463 V CB -0.538 31.305 31.823 0.034 0.000 0.648 463 V HN 0.459 nan 8.190 nan 0.000 0.447 464 D N -0.295 120.110 120.400 0.009 0.000 2.149 464 D HA -0.088 4.552 4.640 0.000 0.000 0.201 464 D C 2.118 178.435 176.300 0.028 0.000 0.972 464 D CA 0.962 54.964 54.000 0.003 0.000 0.835 464 D CB -0.024 40.780 40.800 0.006 0.000 0.966 464 D HN 0.337 nan 8.370 nan 0.000 0.476 465 L N 0.627 121.889 121.223 0.064 0.000 2.109 465 L HA -0.091 4.249 4.340 0.000 0.000 0.207 465 L C 2.384 179.385 176.870 0.219 0.000 1.086 465 L CA 0.770 55.701 54.840 0.152 0.000 0.760 465 L CB -0.102 42.106 42.059 0.248 0.000 0.910 465 L HN -0.053 nan 8.230 nan 0.000 0.437 466 A N 0.055 122.931 122.820 0.093 0.000 1.841 466 A HA -0.222 4.098 4.320 0.000 0.000 0.214 466 A C 2.248 179.832 177.584 -0.002 0.000 1.195 466 A CA 1.654 53.724 52.037 0.054 0.000 0.611 466 A CB -0.364 18.468 19.000 -0.280 0.000 0.835 466 A HN 0.297 nan 8.150 nan 0.000 0.443 467 K N -0.239 120.112 120.400 -0.081 0.000 2.063 467 K HA -0.141 4.180 4.320 0.000 0.000 0.208 467 K C 2.447 179.041 176.600 -0.010 0.000 1.048 467 K CA 1.383 57.610 56.287 -0.100 0.000 0.928 467 K CB -0.315 32.075 32.500 -0.184 0.000 0.713 467 K HN 0.447 nan 8.250 nan 0.000 0.442 468 S N 1.278 116.984 115.700 0.009 0.000 2.369 468 S HA -0.172 4.298 4.470 0.000 0.000 0.225 468 S C 1.897 176.487 174.600 -0.016 0.000 1.043 468 S CA 1.405 59.608 58.200 0.005 0.000 1.074 468 S CB -0.234 62.982 63.200 0.026 0.000 0.962 468 S HN 0.231 nan 8.310 nan 0.000 0.433 469 L N 0.746 121.990 121.223 0.035 0.000 2.179 469 L HA 0.130 4.470 4.340 0.000 0.000 0.208 469 L C 2.848 179.734 176.870 0.026 0.000 1.096 469 L CA 0.843 55.704 54.840 0.034 0.000 0.779 469 L CB -0.579 41.543 42.059 0.104 0.000 0.922 469 L HN 0.406 nan 8.230 nan 0.000 0.443 470 A N 0.095 122.932 122.820 0.028 0.000 2.015 470 A HA -0.213 4.107 4.320 0.000 0.000 0.219 470 A C 2.284 179.882 177.584 0.022 0.000 1.163 470 A CA 1.611 53.661 52.037 0.022 0.000 0.646 470 A CB -0.261 18.742 19.000 0.006 0.000 0.806 470 A HN 0.185 nan 8.150 nan 0.000 0.448 471 K N -0.058 120.347 120.400 0.007 0.000 2.062 471 K HA -0.001 4.320 4.320 0.000 0.000 0.205 471 K C 1.534 178.108 176.600 -0.043 0.000 1.051 471 K CA 1.011 57.297 56.287 -0.002 0.000 0.941 471 K CB -0.173 32.321 32.500 -0.009 0.000 0.719 471 K HN 0.213 nan 8.250 nan 0.000 0.440 472 R N 1.591 122.021 120.500 -0.116 0.000 2.386 472 R HA 0.118 4.458 4.340 0.000 0.000 0.216 472 R C -0.493 175.835 176.300 0.046 0.000 1.119 472 R CA 0.296 56.275 56.100 -0.203 0.000 1.158 472 R CB -0.846 28.992 30.300 -0.771 0.000 1.057 472 R HN 0.304 nan 8.270 nan 0.000 0.489 473 N N -0.816 117.913 118.700 0.048 0.000 2.756 473 N HA -0.157 4.583 4.740 0.000 0.000 0.248 473 N C -1.336 174.234 175.510 0.100 0.000 1.062 473 N CA 0.874 53.969 53.050 0.075 0.000 0.696 473 N CB -1.267 37.271 38.487 0.085 0.000 0.946 473 N HN -0.018 nan 8.380 nan 0.000 0.548 474 V N 1.162 121.128 119.914 0.087 0.000 2.448 474 V HA 0.386 4.506 4.120 0.000 0.000 0.295 474 V C 0.812 176.918 176.094 0.020 0.000 1.025 474 V CA -0.853 61.491 62.300 0.073 0.000 0.859 474 V CB 2.156 34.044 31.823 0.109 0.000 0.988 474 V HN 0.282 nan 8.190 nan 0.000 0.431 475 L N 5.906 127.128 121.223 -0.003 0.000 2.416 475 L HA 0.465 4.805 4.340 0.000 0.000 0.272 475 L C -0.522 176.317 176.870 -0.053 0.000 1.161 475 L CA 0.172 54.995 54.840 -0.028 0.000 0.845 475 L CB 1.108 43.151 42.059 -0.026 0.000 1.119 475 L HN 0.485 nan 8.230 nan 0.000 0.464 476 V N 6.516 126.388 119.914 -0.071 0.000 2.409 476 V HA 0.419 4.540 4.120 0.000 0.000 0.291 476 V C -0.025 176.016 176.094 -0.088 0.000 1.020 476 V CA -0.512 61.741 62.300 -0.078 0.000 0.848 476 V CB 1.420 33.197 31.823 -0.076 0.000 0.990 476 V HN 0.585 nan 8.190 nan 0.000 0.430 477 L N 4.138 125.330 121.223 -0.053 0.000 2.346 477 L HA 0.991 5.331 4.340 0.000 0.000 0.274 477 L C -0.019 176.888 176.870 0.063 0.000 1.007 477 L CA -0.593 54.236 54.840 -0.017 0.000 0.818 477 L CB 2.008 44.061 42.059 -0.009 0.000 1.284 477 L HN 0.743 nan 8.230 nan 0.000 0.424 478 A N 1.226 124.090 122.820 0.074 0.000 2.549 478 A HA 0.871 5.191 4.320 0.000 0.000 0.297 478 A C -0.530 177.048 177.584 -0.010 0.000 1.061 478 A CA -0.415 51.693 52.037 0.118 0.000 0.690 478 A CB 2.072 21.247 19.000 0.291 0.000 1.287 478 A HN 0.706 nan 8.150 nan 0.000 0.402 479 T N -1.422 113.102 114.554 -0.049 0.000 2.742 479 T HA 0.860 5.211 4.350 0.000 0.000 0.282 479 T C 0.977 175.537 174.700 -0.233 0.000 1.025 479 T CA 0.218 62.261 62.100 -0.095 0.000 1.020 479 T CB 0.810 69.695 68.868 0.028 0.000 1.317 479 T HN 2.606 nan 8.240 nan 0.000 0.538 480 G N -0.267 108.386 108.800 -0.245 0.000 2.602 480 G HA2 -0.308 3.652 3.960 0.000 0.000 0.306 480 G HA3 -0.308 3.652 3.960 0.000 0.000 0.306 480 G C 1.205 175.909 174.900 -0.326 0.000 1.301 480 G CA 0.417 45.376 45.100 -0.235 0.000 0.974 480 G HN 1.245 nan 8.290 nan 0.000 0.547 481 C N 1.065 120.339 119.300 -0.043 0.000 2.450 481 C HA 0.298 4.758 4.460 0.000 0.000 0.279 481 C C 3.475 178.334 174.990 -0.219 0.000 1.335 481 C CA 1.663 60.694 59.018 0.023 0.000 1.749 481 C CB -1.654 26.157 27.740 0.117 0.000 1.963 481 C HN 1.024 nan 8.230 nan 0.000 0.501 482 A N 1.089 123.645 122.820 -0.440 0.000 1.865 482 A HA -0.010 4.310 4.320 0.000 0.000 0.217 482 A C 2.413 179.417 177.584 -0.966 0.000 1.191 482 A CA 2.213 53.521 52.037 -1.215 0.000 0.623 482 A CB -1.114 17.292 19.000 -0.989 0.000 0.826 482 A HN 0.560 nan 8.150 nan 0.000 0.444 483 A N -0.633 121.853 122.820 -0.556 0.000 1.978 483 A HA 0.086 4.406 4.320 0.000 0.000 0.220 483 A C 2.383 179.730 177.584 -0.396 0.000 1.170 483 A CA 2.013 53.770 52.037 -0.466 0.000 0.636 483 A CB -1.378 17.138 19.000 -0.807 0.000 0.810 483 A HN 0.792 nan 8.150 nan 0.000 0.448 484 G N -0.485 108.154 108.800 -0.270 0.000 2.418 484 G HA2 0.002 3.962 3.960 0.000 0.000 0.217 484 G HA3 0.002 3.962 3.960 0.000 0.000 0.217 484 G C 1.748 176.609 174.900 -0.065 0.000 1.158 484 G CA 1.494 46.621 45.100 0.044 0.000 0.771 484 G HN 0.780 nan 8.290 nan 0.000 0.545 485 A N 1.004 123.683 122.820 -0.236 0.000 1.849 485 A HA -0.005 4.315 4.320 0.000 0.000 0.217 485 A C 2.195 179.666 177.584 -0.188 0.000 1.202 485 A CA 1.668 53.558 52.037 -0.245 0.000 0.629 485 A CB -0.899 17.864 19.000 -0.395 0.000 0.834 485 A HN 0.371 nan 8.150 nan 0.000 0.447 486 F N 0.280 120.141 119.950 -0.148 0.000 2.147 486 F HA -0.252 4.275 4.527 0.000 0.000 0.301 486 F C 2.819 178.581 175.800 -0.062 0.000 1.084 486 F CA 0.681 58.601 58.000 -0.132 0.000 1.268 486 F CB -0.387 38.498 39.000 -0.192 0.000 1.009 486 F HN 0.319 nan 8.300 nan 0.000 0.486 487 A N 0.703 123.594 122.820 0.118 0.000 1.851 487 A HA -0.244 4.076 4.320 0.000 0.000 0.216 487 A C 2.133 179.781 177.584 0.106 0.000 1.195 487 A CA 2.016 54.128 52.037 0.125 0.000 0.622 487 A CB -0.732 18.356 19.000 0.147 0.000 0.831 487 A HN 0.328 nan 8.150 nan 0.000 0.444 488 K N -0.210 120.238 120.400 0.080 0.000 2.103 488 K HA -0.050 4.270 4.320 0.000 0.000 0.207 488 K C 2.206 178.855 176.600 0.082 0.000 1.048 488 K CA 1.207 57.539 56.287 0.075 0.000 0.930 488 K CB -0.362 32.166 32.500 0.047 0.000 0.716 488 K HN 0.454 nan 8.250 nan 0.000 0.444 489 A N 0.341 123.206 122.820 0.076 0.000 1.972 489 A HA -0.001 4.319 4.320 0.000 0.000 0.219 489 A C 1.721 179.358 177.584 0.088 0.000 1.169 489 A CA 1.615 53.700 52.037 0.080 0.000 0.635 489 A CB -0.600 18.453 19.000 0.088 0.000 0.810 489 A HN 0.470 nan 8.150 nan 0.000 0.446 490 G N -2.022 106.835 108.800 0.096 0.000 2.148 490 G HA2 -0.178 3.782 3.960 0.000 0.000 0.203 490 G HA3 -0.178 3.782 3.960 0.000 0.000 0.203 490 G C 0.572 175.517 174.900 0.076 0.000 0.993 490 G CA 0.276 45.430 45.100 0.090 0.000 0.661 490 G HN 0.437 nan 8.290 nan 0.000 0.518 491 L N -0.083 121.176 121.223 0.059 0.000 2.558 491 L HA 0.325 4.665 4.340 0.000 0.000 0.225 491 L C 1.910 178.763 176.870 -0.029 0.000 1.128 491 L CA 0.372 55.204 54.840 -0.013 0.000 0.868 491 L CB -0.092 41.904 42.059 -0.106 0.000 1.006 491 L HN 0.320 nan 8.230 nan 0.000 0.454 492 M N 0.359 119.973 119.600 0.024 0.000 3.590 492 M HA 0.190 4.670 4.480 0.000 0.000 0.214 492 M C -0.505 175.823 176.300 0.046 0.000 1.306 492 M CA 0.312 55.622 55.300 0.018 0.000 1.479 492 M CB -0.062 32.588 32.600 0.084 0.000 1.083 492 M HN -0.072 nan 8.290 nan 0.000 0.617 493 T N -0.983 113.589 114.554 0.031 0.000 2.916 493 T HA 0.247 4.597 4.350 0.000 0.000 0.305 493 T C 0.977 175.702 174.700 0.041 0.000 1.119 493 T CA -0.590 61.542 62.100 0.052 0.000 1.008 493 T CB 1.978 70.886 68.868 0.067 0.000 1.129 493 T HN 0.505 nan 8.240 nan 0.000 0.480 494 S N 1.844 117.573 115.700 0.049 0.000 2.348 494 S HA -0.165 4.305 4.470 0.000 0.000 0.221 494 S C 1.849 176.472 174.600 0.038 0.000 1.033 494 S CA 1.312 59.537 58.200 0.042 0.000 1.010 494 S CB -0.384 62.846 63.200 0.049 0.000 0.891 494 S HN 0.870 nan 8.310 nan 0.000 0.442 495 E N 2.911 123.135 120.200 0.041 0.000 2.110 495 E HA -0.105 4.245 4.350 0.000 0.000 0.193 495 E C 2.231 178.862 176.600 0.051 0.000 0.988 495 E CA 1.137 57.556 56.400 0.033 0.000 0.804 495 E CB -0.823 28.894 29.700 0.029 0.000 0.745 495 E HN 0.581 nan 8.360 nan 0.000 0.458 496 A N 1.530 124.404 122.820 0.090 0.000 1.997 496 A HA -0.226 4.094 4.320 0.000 0.000 0.221 496 A C 2.414 180.110 177.584 0.186 0.000 1.172 496 A CA 2.445 54.589 52.037 0.178 0.000 0.645 496 A CB -1.162 17.915 19.000 0.129 0.000 0.813 496 A HN 0.374 nan 8.150 nan 0.000 0.454 497 T N -0.296 114.309 114.554 0.085 0.000 2.770 497 T HA -0.105 4.245 4.350 0.000 0.000 0.263 497 T C 2.183 176.907 174.700 0.040 0.000 1.039 497 T CA 2.031 64.166 62.100 0.060 0.000 1.142 497 T CB -0.639 68.241 68.868 0.021 0.000 0.868 497 T HN 0.851 nan 8.240 nan 0.000 0.435 498 T N 0.194 114.757 114.554 0.015 0.000 2.977 498 T HA -0.103 4.247 4.350 0.000 0.000 0.271 498 T C 1.763 176.424 174.700 -0.064 0.000 1.105 498 T CA 1.158 63.248 62.100 -0.016 0.000 1.116 498 T CB -0.204 68.655 68.868 -0.016 0.000 0.878 498 T HN 0.413 nan 8.240 nan 0.000 0.509 499 Q N -1.267 118.470 119.800 -0.105 0.000 2.352 499 Q HA 0.194 4.534 4.340 0.000 0.000 0.212 499 Q C 0.544 176.213 176.000 -0.551 0.000 0.888 499 Q CA 0.123 55.721 55.803 -0.342 0.000 0.934 499 Q CB 0.419 28.873 28.738 -0.473 0.000 1.093 499 Q HN 0.779 nan 8.270 nan 0.000 0.523 500 Y N -1.824 118.467 120.300 -0.014 0.000 2.437 500 Y HA 0.433 4.983 4.550 0.000 0.000 0.266 500 Y C 0.308 176.195 175.900 -0.021 0.000 1.077 500 Y CA -0.253 57.837 58.100 -0.017 0.000 1.235 500 Y CB 0.654 39.103 38.460 -0.019 0.000 1.303 500 Y HN 0.003 nan 8.280 nan 0.000 0.536 501 A N 1.925 124.817 122.820 0.120 0.000 2.476 501 A HA 0.447 4.767 4.320 0.000 0.000 0.275 501 A C 1.040 178.644 177.584 0.035 0.000 1.133 501 A CA 0.395 52.469 52.037 0.062 0.000 0.797 501 A CB -0.703 18.320 19.000 0.038 0.000 1.081 501 A HN 0.389 nan 8.150 nan 0.000 0.510 502 G N 2.569 111.387 108.800 0.030 0.000 2.321 502 G HA2 0.188 4.148 3.960 0.000 0.000 0.237 502 G HA3 0.188 4.148 3.960 0.000 0.000 0.237 502 G C 0.656 175.565 174.900 0.015 0.000 1.282 502 G CA 0.324 45.434 45.100 0.017 0.000 0.886 502 G HN 0.895 nan 8.290 nan 0.000 0.528 503 E N 1.802 122.008 120.200 0.009 0.000 2.160 503 E HA -0.331 4.019 4.350 0.000 0.000 0.237 503 E C 2.684 179.292 176.600 0.013 0.000 1.069 503 E CA 1.764 58.169 56.400 0.008 0.000 0.950 503 E CB -0.509 29.194 29.700 0.006 0.000 0.832 503 E HN 0.645 nan 8.360 nan 0.000 0.496 504 G N 1.915 110.725 108.800 0.018 0.000 2.679 504 G HA2 -0.341 3.619 3.960 0.000 0.000 0.222 504 G HA3 -0.341 3.619 3.960 0.000 0.000 0.222 504 G C 1.387 176.300 174.900 0.021 0.000 1.164 504 G CA 1.254 46.367 45.100 0.022 0.000 0.769 504 G HN 0.172 nan 8.290 nan 0.000 0.610 505 L N 1.030 122.267 121.223 0.024 0.000 1.973 505 L HA 0.019 4.359 4.340 0.000 0.000 0.208 505 L C 2.674 179.553 176.870 0.015 0.000 1.073 505 L CA 2.756 57.608 54.840 0.020 0.000 0.746 505 L CB -1.129 40.944 42.059 0.024 0.000 0.891 505 L HN 0.397 nan 8.230 nan 0.000 0.433 506 K N -0.516 119.893 120.400 0.015 0.000 2.207 506 K HA -0.219 4.102 4.320 0.000 0.000 0.208 506 K C 1.771 178.378 176.600 0.010 0.000 1.046 506 K CA 1.677 57.971 56.287 0.012 0.000 0.929 506 K CB -0.360 32.146 32.500 0.010 0.000 0.720 506 K HN 0.562 nan 8.250 nan 0.000 0.463 507 G N 0.763 109.570 108.800 0.011 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 1.400 176.307 174.900 0.013 0.000 1.262 507 G CA 0.887 45.993 45.100 0.011 0.000 0.807 507 G HN 0.285 nan 8.290 nan 0.000 0.567 508 V N 0.734 120.656 119.914 0.013 0.000 2.380 508 V HA -0.132 3.988 4.120 0.000 0.000 0.251 508 V C 2.595 178.699 176.094 0.017 0.000 1.063 508 V CA 1.825 64.134 62.300 0.015 0.000 1.055 508 V CB -0.368 31.464 31.823 0.015 0.000 0.657 508 V HN 0.276 nan 8.190 nan 0.000 0.455 509 L N 1.095 122.326 121.223 0.013 0.000 2.013 509 L HA -0.150 4.190 4.340 0.000 0.000 0.212 509 L C 2.814 179.695 176.870 0.018 0.000 1.073 509 L CA 2.941 57.788 54.840 0.011 0.000 0.753 509 L CB -1.289 40.771 42.059 0.002 0.000 0.890 509 L HN 0.763 nan 8.230 nan 0.000 0.432 510 S N -1.076 114.635 115.700 0.018 0.000 2.414 510 S HA -0.003 4.467 4.470 0.000 0.000 0.227 510 S C 2.132 176.746 174.600 0.024 0.000 1.022 510 S CA 0.640 58.853 58.200 0.021 0.000 0.958 510 S CB -0.301 62.908 63.200 0.016 0.000 0.797 510 S HN 0.380 nan 8.310 nan 0.000 0.493 511 A N 2.915 125.748 122.820 0.021 0.000 1.841 511 A HA 0.000 4.320 4.320 0.000 0.000 0.216 511 A C 2.201 179.802 177.584 0.028 0.000 1.199 511 A CA 1.709 53.759 52.037 0.021 0.000 0.621 511 A CB -1.082 17.929 19.000 0.019 0.000 0.835 511 A HN 0.537 nan 8.150 nan 0.000 0.445 512 I N -0.194 120.396 120.570 0.033 0.000 2.118 512 I HA -0.258 3.912 4.170 0.000 0.000 0.241 512 I C 2.748 178.898 176.117 0.055 0.000 1.070 512 I CA 1.334 62.660 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 0.538 109.374 108.800 0.060 0.000 2.476 513 G HA2 -0.262 3.698 3.960 0.000 0.000 0.218 513 G HA3 -0.262 3.698 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 1.670 46.812 45.100 0.072 0.000 0.768 513 G HN 0.354 nan 8.290 nan 0.000 0.560 514 T N 1.701 116.279 114.554 0.039 0.000 2.737 514 T HA 0.059 4.409 4.350 0.000 0.000 0.265 514 T C 2.809 177.525 174.700 0.027 0.000 1.038 514 T CA 1.451 63.569 62.100 0.030 0.000 1.144 514 T CB -0.437 68.445 68.868 0.023 0.000 0.866 514 T HN 0.384 nan 8.240 nan 0.000 0.434 515 A N 1.284 124.121 122.820 0.027 0.000 2.024 515 A HA 0.200 4.520 4.320 0.000 0.000 0.220 515 A C 2.213 179.810 177.584 0.022 0.000 1.164 515 A CA 1.623 53.674 52.037 0.023 0.000 0.643 515 A CB -0.628 18.386 19.000 0.023 0.000 0.806 515 A HN 0.526 nan 8.150 nan 0.000 0.451 516 A N -2.089 120.749 122.820 0.030 0.000 2.500 516 A HA 0.513 4.833 4.320 0.000 0.000 0.267 516 A C 1.491 179.089 177.584 0.022 0.000 1.290 516 A CA 0.916 52.967 52.037 0.024 0.000 0.928 516 A CB -0.882 18.136 19.000 0.030 0.000 1.066 516 A HN 1.946 nan 8.150 nan 0.000 0.516 517 G N -0.120 108.695 108.800 0.025 0.000 2.650 517 G HA2 -0.314 3.646 3.960 0.000 0.000 0.264 517 G HA3 -0.314 3.646 3.960 0.000 0.000 0.264 517 G C 0.812 175.734 174.900 0.036 0.000 1.263 517 G CA 0.235 45.349 45.100 0.024 0.000 0.960 517 G HN 1.118 nan 8.290 nan 0.000 0.548 518 L N -0.695 120.550 121.223 0.038 0.000 5.241 518 L HA -0.278 4.062 4.340 0.000 0.000 0.408 518 L C 2.438 179.337 176.870 0.048 0.000 0.834 518 L CA 2.829 57.703 54.840 0.055 0.000 1.936 518 L CB -1.594 40.519 42.059 0.089 0.000 1.221 518 L HN 2.849 nan 8.230 nan 0.000 0.617 519 G N -2.054 106.769 108.800 0.039 0.000 2.436 519 G HA2 0.045 4.005 3.960 0.000 0.000 0.204 519 G HA3 0.045 4.005 3.960 0.000 0.000 0.204 519 G C 0.369 175.288 174.900 0.031 0.000 1.026 519 G CA 0.265 45.384 45.100 0.032 0.000 0.658 519 G HN 1.285 nan 8.290 nan 0.000 0.499 520 G N 0.394 109.217 108.800 0.038 0.000 3.000 520 G HA2 0.760 4.721 3.960 0.000 0.000 0.170 520 G HA3 0.760 4.721 3.960 0.000 0.000 0.170 520 G C -3.086 171.838 174.900 0.040 0.000 1.160 520 G CA 0.318 45.438 45.100 0.033 0.000 0.945 520 G HN 0.496 nan 8.290 nan 0.000 0.593 521 P HA 0.433 nan 4.420 nan 0.000 0.278 521 P C -0.024 177.302 177.300 0.043 0.000 1.258 521 P CA -0.444 62.677 63.100 0.035 0.000 0.811 521 P CB 1.497 33.210 31.700 0.022 0.000 1.063 522 L N 1.394 122.640 121.223 0.039 0.000 2.479 522 L HA 0.139 4.479 4.340 0.000 0.000 0.270 522 L C -1.868 174.973 176.870 -0.048 0.000 1.236 522 L CA -1.521 53.330 54.840 0.019 0.000 0.823 522 L CB -0.837 41.216 42.059 -0.010 0.000 1.098 522 L HN 0.254 nan 8.230 nan 0.000 0.500 523 P HA -0.058 nan 4.420 nan 0.000 0.271 523 P C 0.601 177.814 177.300 -0.146 0.000 1.216 523 P CA -0.316 62.709 63.100 -0.125 0.000 0.776 523 P CB 0.539 32.133 31.700 -0.176 0.000 0.881 524 L N 3.489 124.656 121.223 -0.092 0.000 2.129 524 L HA -0.076 4.265 4.340 0.000 0.000 0.212 524 L C -0.011 176.752 176.870 -0.179 0.000 1.087 524 L CA 2.243 57.025 54.840 -0.096 0.000 0.757 524 L CB -0.131 41.894 42.059 -0.057 0.000 0.896 524 L HN 0.064 nan 8.230 nan 0.000 0.434 525 V N 0.990 120.765 119.914 -0.232 0.000 2.483 525 V HA 0.303 4.423 4.120 0.000 0.000 0.297 525 V C 0.124 176.058 176.094 -0.266 0.000 1.027 525 V CA -0.454 61.666 62.300 -0.300 0.000 0.855 525 V CB 1.707 33.229 31.823 -0.500 0.000 0.995 525 V HN 0.096 nan 8.190 nan 0.000 0.424 526 M N 4.490 123.926 119.600 -0.274 0.000 2.080 526 M HA 0.384 4.864 4.480 0.000 0.000 0.350 526 M C -0.198 176.065 176.300 -0.062 0.000 1.173 526 M CA -0.536 54.541 55.300 -0.370 0.000 1.052 526 M CB 0.572 32.903 32.600 -0.448 0.000 1.577 526 M HN 0.647 nan 8.290 nan 0.000 0.455 527 H N 5.260 124.304 119.070 -0.043 0.000 3.086 527 H HA 0.164 4.720 4.556 0.000 0.000 0.265 527 H C 0.102 175.519 175.328 0.147 0.000 1.092 527 H CA 0.577 56.674 56.048 0.081 0.000 1.487 527 H CB 0.575 30.416 29.762 0.131 0.000 1.514 527 H HN 0.760 nan 8.280 nan 0.000 0.497 528 M N 3.660 123.490 119.600 0.383 0.000 2.494 528 M HA 0.168 4.648 4.480 0.000 0.000 0.232 528 M C 0.965 177.406 176.300 0.235 0.000 1.137 528 M CA 0.532 55.991 55.300 0.266 0.000 1.012 528 M CB 0.442 33.145 32.600 0.171 0.000 1.567 528 M HN 0.833 nan 8.290 nan 0.000 0.486 529 G N 0.427 109.444 108.800 0.362 0.000 2.396 529 G HA2 -0.172 3.788 3.960 0.000 0.000 0.254 529 G HA3 -0.172 3.788 3.960 0.000 0.000 0.254 529 G C -0.353 174.670 174.900 0.205 0.000 1.248 529 G CA -0.396 44.831 45.100 0.212 0.000 1.033 529 G HN 0.414 nan 8.290 nan 0.000 0.502 530 S N -1.111 114.692 115.700 0.171 0.000 2.633 530 S HA 0.368 4.838 4.470 0.000 0.000 0.257 530 S C 1.801 176.490 174.600 0.147 0.000 1.265 530 S CA 0.511 58.811 58.200 0.166 0.000 0.980 530 S CB 0.615 63.935 63.200 0.200 0.000 1.017 530 S HN 1.479 nan 8.310 nan 0.000 0.577 531 C N 0.479 119.902 119.300 0.206 0.000 2.393 531 C HA -0.110 4.350 4.460 0.000 0.000 0.276 531 C C 2.952 178.019 174.990 0.128 0.000 1.215 531 C CA 0.946 60.103 59.018 0.232 0.000 1.743 531 C CB -1.978 26.041 27.740 0.465 0.000 2.044 531 C HN 0.819 nan 8.230 nan 0.000 0.464 532 V N 0.326 120.283 119.914 0.073 0.000 2.469 532 V HA -0.180 3.940 4.120 0.000 0.000 0.251 532 V C 1.403 177.485 176.094 -0.019 0.000 1.064 532 V CA 2.482 64.720 62.300 -0.103 0.000 1.066 532 V CB -1.025 30.746 31.823 -0.085 0.000 0.667 532 V HN 0.379 nan 8.190 nan 0.000 0.461 533 D N 0.963 121.397 120.400 0.057 0.000 2.390 533 D HA -0.051 4.589 4.640 0.000 0.000 0.235 533 D C 1.650 178.002 176.300 0.086 0.000 1.040 533 D CA 0.460 54.500 54.000 0.065 0.000 0.923 533 D CB -0.636 40.222 40.800 0.097 0.000 0.886 533 D HN 0.502 nan 8.370 nan 0.000 0.532 534 N N -0.278 118.491 118.700 0.116 0.000 2.512 534 N HA -0.079 4.661 4.740 0.000 0.000 0.183 534 N C 1.500 177.118 175.510 0.180 0.000 1.073 534 N CA 0.343 53.510 53.050 0.194 0.000 0.911 534 N CB 0.211 38.893 38.487 0.325 0.000 0.964 534 N HN 0.194 nan 8.380 nan 0.000 0.447 535 S N 0.125 115.857 115.700 0.054 0.000 2.461 535 S HA 0.089 4.559 4.470 0.000 0.000 0.228 535 S C 1.792 176.397 174.600 0.008 0.000 1.005 535 S CA 0.138 58.312 58.200 -0.044 0.000 0.942 535 S CB 0.093 63.212 63.200 -0.133 0.000 0.776 535 S HN 0.157 nan 8.310 nan 0.000 0.514 536 R N 1.711 122.235 120.500 0.040 0.000 2.096 536 R HA 0.086 4.426 4.340 0.000 0.000 0.235 536 R C 2.537 178.875 176.300 0.063 0.000 1.127 536 R CA 1.410 57.543 56.100 0.055 0.000 0.968 536 R CB -1.056 29.290 30.300 0.076 0.000 0.861 536 R HN 0.596 nan 8.270 nan 0.000 0.440 537 A N 0.478 123.345 122.820 0.078 0.000 1.930 537 A HA -0.043 4.278 4.320 0.000 0.000 0.215 537 A C 2.403 180.026 177.584 0.065 0.000 1.176 537 A CA 0.920 53.002 52.037 0.076 0.000 0.632 537 A CB -0.319 18.735 19.000 0.090 0.000 0.819 537 A HN 0.086 nan 8.150 nan 0.000 0.445 538 V N 0.124 120.078 119.914 0.067 0.000 2.407 538 V HA -0.244 3.877 4.120 0.000 0.000 0.248 538 V C 2.994 179.096 176.094 0.014 0.000 1.055 538 V CA 1.821 64.142 62.300 0.036 0.000 1.049 538 V CB -1.307 30.491 31.823 -0.041 0.000 0.662 538 V HN 0.595 nan 8.190 nan 0.000 0.455 539 A N -0.242 122.588 122.820 0.015 0.000 1.858 539 A HA -0.173 4.147 4.320 0.000 0.000 0.216 539 A C 2.291 179.889 177.584 0.024 0.000 1.190 539 A CA 1.950 53.998 52.037 0.019 0.000 0.617 539 A CB -0.642 18.376 19.000 0.030 0.000 0.827 539 A HN 0.446 nan 8.150 nan 0.000 0.443 540 L N -0.730 120.513 121.223 0.033 0.000 2.012 540 L HA -0.240 4.100 4.340 0.000 0.000 0.210 540 L C 3.002 179.886 176.870 0.023 0.000 1.073 540 L CA 1.473 56.332 54.840 0.032 0.000 0.748 540 L CB -0.478 41.606 42.059 0.041 0.000 0.891 540 L HN 0.470 nan 8.230 nan 0.000 0.431 541 A N -0.216 122.618 122.820 0.023 0.000 1.865 541 A HA -0.285 4.035 4.320 0.000 0.000 0.217 541 A C 2.315 179.905 177.584 0.011 0.000 1.191 541 A CA 2.701 54.748 52.037 0.016 0.000 0.623 541 A CB -1.238 17.775 19.000 0.021 0.000 0.826 541 A HN 0.603 nan 8.150 nan 0.000 0.444 542 T N -1.870 112.691 114.554 0.010 0.000 2.833 542 T HA 0.051 4.401 4.350 0.000 0.000 0.269 542 T C 1.909 176.612 174.700 0.005 0.000 1.054 542 T CA 1.748 63.851 62.100 0.005 0.000 1.135 542 T CB -0.620 68.248 68.868 0.000 0.000 0.869 542 T HN 0.616 nan 8.240 nan 0.000 0.466 543 A N 1.822 124.647 122.820 0.009 0.000 1.858 543 A HA 0.142 4.462 4.320 0.000 0.000 0.216 543 A C 2.404 179.992 177.584 0.008 0.000 1.190 543 A CA 1.467 53.510 52.037 0.009 0.000 0.617 543 A CB -1.074 17.935 19.000 0.014 0.000 0.827 543 A HN 0.536 nan 8.150 nan 0.000 0.443 544 L N -0.648 120.581 121.223 0.009 0.000 2.012 544 L HA -0.194 4.146 4.340 0.000 0.000 0.210 544 L C 2.795 179.667 176.870 0.003 0.000 1.073 544 L CA 1.708 56.552 54.840 0.007 0.000 0.748 544 L CB -0.450 41.613 42.059 0.007 0.000 0.891 544 L HN 0.413 nan 8.230 nan 0.000 0.431 545 A N 0.177 122.999 122.820 0.003 0.000 1.908 545 A HA -0.249 4.071 4.320 0.000 0.000 0.218 545 A C 1.926 179.510 177.584 0.000 0.000 1.181 545 A CA 2.026 54.063 52.037 0.001 0.000 0.627 545 A CB -0.707 18.293 19.000 0.001 0.000 0.818 545 A HN 0.609 nan 8.150 nan 0.000 0.445 546 N N -0.296 118.404 118.700 0.000 0.000 2.188 546 N HA -0.133 4.608 4.740 0.000 0.000 0.184 546 N C 1.656 177.166 175.510 -0.000 0.000 1.018 546 N CA 1.558 54.608 53.050 -0.001 0.000 0.858 546 N CB -0.311 38.176 38.487 -0.001 0.000 0.989 546 N HN 0.463 nan 8.380 nan 0.000 0.426 547 K N 1.492 121.892 120.400 0.001 0.000 2.032 547 K HA 0.027 4.348 4.320 0.000 0.000 0.209 547 K C 1.633 178.233 176.600 0.001 0.000 1.048 547 K CA 0.998 57.286 56.287 0.001 0.000 0.927 547 K CB -0.371 32.130 32.500 0.003 0.000 0.712 547 K HN 0.158 nan 8.250 nan 0.000 0.441 548 L N -0.378 120.845 121.223 0.000 0.000 2.599 548 L HA 0.167 4.508 4.340 0.000 0.000 0.230 548 L C 0.935 177.805 176.870 -0.001 0.000 1.141 548 L CA 0.330 55.169 54.840 -0.001 0.000 0.877 548 L CB -0.586 41.472 42.059 -0.001 0.000 1.009 548 L HN 0.520 nan 8.230 nan 0.000 0.447 549 G N 0.948 109.748 108.800 -0.001 0.000 2.341 549 G HA2 -0.258 3.702 3.960 0.000 0.000 0.292 549 G HA3 -0.258 3.702 3.960 0.000 0.000 0.292 549 G C -0.094 174.805 174.900 -0.002 0.000 1.021 549 G CA 0.696 45.795 45.100 -0.002 0.000 0.905 549 G HN 0.255 nan 8.290 nan 0.000 0.508 550 V N -1.350 118.563 119.914 -0.001 0.000 3.145 550 V HA 0.861 4.981 4.120 0.000 0.000 0.311 550 V C -0.670 175.424 176.094 -0.001 0.000 1.238 550 V CA -0.416 61.883 62.300 -0.001 0.000 1.066 550 V CB 2.139 33.961 31.823 -0.002 0.000 1.144 550 V HN 0.274 nan 8.190 nan 0.000 0.465 551 D N -0.504 119.896 120.400 -0.000 0.000 2.340 551 D HA 0.388 5.028 4.640 0.000 0.000 0.243 551 D C 0.765 177.065 176.300 0.000 0.000 0.988 551 D CA -0.333 53.667 54.000 0.001 0.000 0.959 551 D CB 1.939 42.741 40.800 0.003 0.000 1.226 551 D HN 0.287 nan 8.370 nan 0.000 0.509 552 L N 1.089 122.313 121.223 0.001 0.000 2.131 552 L HA -0.121 4.219 4.340 0.000 0.000 0.210 552 L C 2.207 179.075 176.870 -0.004 0.000 1.092 552 L CA 1.480 56.319 54.840 -0.001 0.000 0.759 552 L CB -0.838 41.224 42.059 0.006 0.000 0.903 552 L HN 0.420 nan 8.230 nan 0.000 0.435 553 S N -1.699 114.002 115.700 0.001 0.000 2.595 553 S HA -0.088 4.382 4.470 0.000 0.000 0.235 553 S C 1.055 175.660 174.600 0.008 0.000 0.974 553 S CA 0.947 59.150 58.200 0.006 0.000 0.942 553 S CB -0.394 62.816 63.200 0.016 0.000 0.766 553 S HN 0.494 nan 8.310 nan 0.000 0.536 554 D N 0.415 120.816 120.400 0.001 0.000 2.469 554 D HA 0.273 4.913 4.640 0.000 0.000 0.240 554 D C 0.514 176.809 176.300 -0.008 0.000 1.087 554 D CA -0.055 53.944 54.000 -0.000 0.000 0.876 554 D CB 0.216 41.016 40.800 -0.000 0.000 1.160 554 D HN 0.372 nan 8.370 nan 0.000 0.497 555 L N 2.895 124.111 121.223 -0.012 0.000 2.452 555 L HA 0.155 4.496 4.340 0.000 0.000 0.267 555 L C -1.749 175.103 176.870 -0.029 0.000 1.188 555 L CA -1.265 53.564 54.840 -0.018 0.000 0.821 555 L CB 0.319 42.368 42.059 -0.016 0.000 1.102 555 L HN -0.221 nan 8.230 nan 0.000 0.470 556 P HA 0.091 nan 4.420 nan 0.000 0.218 556 P C -0.721 176.544 177.300 -0.059 0.000 1.793 556 P CA -0.159 62.907 63.100 -0.055 0.000 0.941 556 P CB 0.172 31.833 31.700 -0.064 0.000 1.919 557 L N 1.609 122.799 121.223 -0.055 0.000 2.282 557 L HA 0.560 4.901 4.340 0.000 0.000 0.288 557 L C -0.842 175.976 176.870 -0.087 0.000 1.033 557 L CA -0.606 54.197 54.840 -0.062 0.000 0.807 557 L CB 1.851 43.884 42.059 -0.043 0.000 1.209 557 L HN -0.108 nan 8.230 nan 0.000 0.423 558 V N 5.043 124.892 119.914 -0.108 0.000 2.789 558 V HA 0.924 5.044 4.120 0.000 0.000 0.311 558 V C -0.632 175.364 176.094 -0.162 0.000 1.073 558 V CA -0.095 62.123 62.300 -0.136 0.000 0.921 558 V CB 1.972 33.720 31.823 -0.124 0.000 1.009 558 V HN 1.071 nan 8.190 nan 0.000 0.426 559 A N 4.072 126.796 122.820 -0.160 0.000 2.324 559 A HA 0.904 5.224 4.320 0.000 0.000 0.330 559 A C -0.339 177.194 177.584 -0.085 0.000 1.165 559 A CA -0.180 51.766 52.037 -0.152 0.000 0.813 559 A CB 1.694 20.599 19.000 -0.158 0.000 1.197 559 A HN 1.340 nan 8.150 nan 0.000 0.484 560 S N 0.772 116.440 115.700 -0.053 0.000 2.619 560 S HA 0.643 5.113 4.470 0.000 0.000 0.280 560 S C -0.708 174.064 174.600 0.287 0.000 1.150 560 S CA 0.199 58.511 58.200 0.187 0.000 0.978 560 S CB 1.323 64.675 63.200 0.253 0.000 1.041 560 S HN 1.936 nan 8.310 nan 0.000 0.485 561 A N 6.534 129.463 122.820 0.182 0.000 3.064 561 A HA 0.616 4.937 4.320 0.000 0.000 0.339 561 A C -2.159 175.469 177.584 0.074 0.000 1.078 561 A CA -1.518 50.618 52.037 0.165 0.000 0.869 561 A CB 0.230 19.253 19.000 0.038 0.000 1.067 561 A HN 0.631 nan 8.150 nan 0.000 0.480 562 P HA -0.202 nan 4.420 nan 0.000 0.216 562 P C 0.510 177.705 177.300 -0.176 0.000 1.157 562 P CA 1.598 64.734 63.100 0.060 0.000 0.880 562 P CB 0.284 31.988 31.700 0.007 0.000 0.791 563 E N -1.624 118.412 120.200 -0.273 0.000 2.869 563 E HA 0.126 4.477 4.350 0.000 0.000 0.207 563 E C -0.019 176.522 176.600 -0.099 0.000 0.986 563 E CA -0.421 55.830 56.400 -0.250 0.000 1.131 563 E CB -0.369 29.069 29.700 -0.436 0.000 1.098 563 E HN 0.289 nan 8.360 nan 0.000 0.459 564 C N -0.097 119.171 119.300 -0.054 0.000 2.702 564 C HA 0.270 4.730 4.460 0.000 0.000 0.411 564 C C 1.269 176.211 174.990 -0.080 0.000 1.286 564 C CA -0.279 58.712 59.018 -0.045 0.000 1.979 564 C CB 0.638 28.350 27.740 -0.047 0.000 2.728 564 C HN 0.555 nan 8.230 nan 0.000 0.652 565 M N 1.858 121.400 119.600 -0.097 0.000 1.793 565 M HA 0.145 4.626 4.480 0.000 0.000 0.222 565 M C 0.668 176.894 176.300 -0.124 0.000 1.202 565 M CA 0.653 55.886 55.300 -0.113 0.000 0.959 565 M CB -0.655 31.863 32.600 -0.137 0.000 1.726 565 M HN 0.946 nan 8.290 nan 0.000 0.618 566 S N 0.909 116.517 115.700 -0.154 0.000 2.632 566 S HA 0.276 4.746 4.470 0.000 0.000 0.267 566 S C 0.660 175.187 174.600 -0.122 0.000 1.276 566 S CA -0.216 57.892 58.200 -0.154 0.000 0.998 566 S CB 1.070 64.154 63.200 -0.194 0.000 0.953 566 S HN 0.407 nan 8.310 nan 0.000 0.547 567 E N 0.541 120.667 120.200 -0.123 0.000 2.204 567 E HA -0.099 4.251 4.350 0.000 0.000 0.194 567 E C 1.852 178.384 176.600 -0.113 0.000 0.989 567 E CA 0.822 57.155 56.400 -0.111 0.000 0.824 567 E CB -0.090 29.544 29.700 -0.110 0.000 0.756 567 E HN 0.601 nan 8.360 nan 0.000 0.477 568 K N 0.574 120.880 120.400 -0.158 0.000 2.026 568 K HA -0.110 4.210 4.320 0.000 0.000 0.208 568 K C 2.245 178.805 176.600 -0.066 0.000 1.048 568 K CA 1.075 57.244 56.287 -0.196 0.000 0.929 568 K CB -0.141 32.131 32.500 -0.381 0.000 0.713 568 K HN 0.043 nan 8.250 nan 0.000 0.439 569 A N 1.273 124.054 122.820 -0.066 0.000 1.908 569 A HA -0.180 4.140 4.320 0.000 0.000 0.218 569 A C 2.048 179.595 177.584 -0.063 0.000 1.181 569 A CA 1.282 53.292 52.037 -0.045 0.000 0.627 569 A CB -0.528 18.440 19.000 -0.053 0.000 0.818 569 A HN 0.198 nan 8.150 nan 0.000 0.445 570 L N -0.650 120.534 121.223 -0.066 0.000 2.131 570 L HA -0.053 4.287 4.340 0.000 0.000 0.210 570 L C 2.713 179.566 176.870 -0.029 0.000 1.092 570 L CA 1.736 56.542 54.840 -0.056 0.000 0.759 570 L CB -0.693 41.320 42.059 -0.076 0.000 0.903 570 L HN 0.388 nan 8.230 nan 0.000 0.435 571 A N -0.476 122.329 122.820 -0.026 0.000 1.840 571 A HA -0.135 4.185 4.320 0.000 0.000 0.214 571 A C 2.242 179.732 177.584 -0.157 0.000 1.198 571 A CA 1.640 53.689 52.037 0.021 0.000 0.608 571 A CB -0.723 18.343 19.000 0.111 0.000 0.839 571 A HN 0.354 nan 8.150 nan 0.000 0.443 572 I N 0.014 120.435 120.570 -0.248 0.000 2.113 572 I HA -0.325 3.845 4.170 0.000 0.000 0.242 572 I C 2.699 178.222 176.117 -0.990 0.000 1.064 572 I CA 1.476 62.273 61.300 -0.839 0.000 1.320 572 I CB -0.781 36.996 38.000 -0.372 0.000 1.028 572 I HN 0.431 nan 8.210 nan 0.000 0.406 573 G N -0.228 108.330 108.800 -0.404 0.000 2.440 573 G HA2 -0.244 3.716 3.960 0.000 0.000 0.218 573 G HA3 -0.244 3.716 3.960 0.000 0.000 0.218 573 G C 1.746 176.534 174.900 -0.187 0.000 1.154 573 G CA 1.069 46.040 45.100 -0.216 0.000 0.767 573 G HN 0.390 nan 8.290 nan 0.000 0.552 574 S N 0.236 115.933 115.700 -0.005 0.000 2.368 574 S HA -0.100 4.371 4.470 0.000 0.000 0.225 574 S C 1.987 176.605 174.600 0.031 0.000 1.030 574 S CA 1.442 59.706 58.200 0.106 0.000 0.999 574 S CB -0.425 62.885 63.200 0.184 0.000 0.844 574 S HN 0.852 nan 8.310 nan 0.000 0.459 575 W N 1.657 122.965 121.300 0.014 0.000 2.518 575 W HA 0.252 4.912 4.660 0.000 0.000 0.273 575 W C 2.060 178.543 176.519 -0.060 0.000 1.247 575 W CA 0.430 57.763 57.345 -0.019 0.000 1.288 575 W CB -0.701 28.755 29.460 -0.008 0.000 1.107 575 W HN 0.258 nan 8.180 nan 0.000 0.586 576 A N 1.912 124.649 122.820 -0.139 0.000 1.908 576 A HA -0.134 4.186 4.320 0.000 0.000 0.218 576 A C 2.229 179.750 177.584 -0.106 0.000 1.181 576 A CA 2.503 54.462 52.037 -0.130 0.000 0.627 576 A CB -1.045 17.693 19.000 -0.437 0.000 0.818 576 A HN 0.156 nan 8.150 nan 0.000 0.445 577 V N -0.396 119.366 119.914 -0.252 0.000 2.427 577 V HA -0.172 3.948 4.120 0.000 0.000 0.248 577 V C 2.635 178.668 176.094 -0.103 0.000 1.051 577 V CA 2.329 64.448 62.300 -0.302 0.000 1.048 577 V CB -0.922 30.544 31.823 -0.594 0.000 0.666 577 V HN 0.622 nan 8.190 nan 0.000 0.456 578 T N -0.301 114.253 114.554 -0.000 0.000 2.985 578 T HA 0.066 4.416 4.350 0.000 0.000 0.266 578 T C 1.818 176.553 174.700 0.058 0.000 1.076 578 T CA 0.903 63.033 62.100 0.049 0.000 1.135 578 T CB -0.095 68.828 68.868 0.093 0.000 0.890 578 T HN 0.302 nan 8.240 nan 0.000 0.480 579 I N 0.498 121.127 120.570 0.098 0.000 2.394 579 I HA -0.031 4.139 4.170 0.000 0.000 0.251 579 I C 2.110 178.248 176.117 0.036 0.000 1.136 579 I CA 1.310 62.660 61.300 0.082 0.000 1.425 579 I CB -0.067 38.026 38.000 0.154 0.000 1.079 579 I HN 0.529 nan 8.210 nan 0.000 0.425 580 G N -0.092 108.714 108.800 0.010 0.000 2.425 580 G HA2 -0.111 3.850 3.960 0.000 0.000 0.177 580 G HA3 -0.111 3.850 3.960 0.000 0.000 0.177 580 G C 0.241 175.109 174.900 -0.053 0.000 0.999 580 G CA -0.603 44.490 45.100 -0.011 0.000 0.723 580 G HN 0.115 nan 8.290 nan 0.000 0.491 581 L N 1.251 122.423 121.223 -0.085 0.000 2.397 581 L HA 0.419 4.759 4.340 0.000 0.000 0.271 581 L C -2.318 174.371 176.870 -0.302 0.000 1.148 581 L CA -1.787 52.962 54.840 -0.152 0.000 0.825 581 L CB 0.726 42.710 42.059 -0.125 0.000 1.117 581 L HN -0.127 nan 8.230 nan 0.000 0.456 582 P HA 0.155 nan 4.420 nan 0.000 0.281 582 P C -0.938 176.081 177.300 -0.469 0.000 1.286 582 P CA -0.050 62.605 63.100 -0.741 0.000 0.772 582 P CB 0.969 32.252 31.700 -0.694 0.000 0.862 583 T N 3.384 117.652 114.554 -0.475 0.000 2.794 583 T HA 0.254 4.605 4.350 0.000 0.000 0.280 583 T C -0.556 174.127 174.700 -0.029 0.000 0.987 583 T CA -0.380 61.561 62.100 -0.265 0.000 0.993 583 T CB 0.458 69.088 68.868 -0.396 0.000 0.939 583 T HN 0.409 nan 8.240 nan 0.000 0.449 584 H N 2.694 121.748 119.070 -0.026 0.000 2.459 584 H HA 0.592 5.148 4.556 0.000 0.000 0.332 584 H C -0.954 174.444 175.328 0.117 0.000 1.094 584 H CA -0.780 55.309 56.048 0.069 0.000 1.224 584 H CB 1.113 30.909 29.762 0.056 0.000 1.449 584 H HN 0.474 nan 8.280 nan 0.000 0.484 585 V N 2.480 122.141 119.914 -0.422 0.000 2.448 585 V HA 0.506 4.626 4.120 0.000 0.000 0.295 585 V C 0.754 176.523 176.094 -0.542 0.000 1.025 585 V CA -0.365 61.694 62.300 -0.402 0.000 0.859 585 V CB 1.408 33.148 31.823 -0.139 0.000 0.988 585 V HN 0.877 nan 8.190 nan 0.000 0.431 586 G N 1.825 110.361 108.800 -0.439 0.000 3.605 586 G HA2 0.277 4.237 3.960 0.000 0.000 0.277 586 G HA3 0.277 4.237 3.960 0.000 0.000 0.277 586 G C 0.617 175.461 174.900 -0.093 0.000 1.093 586 G CA 0.557 45.555 45.100 -0.170 0.000 0.821 586 G HN 0.704 nan 8.290 nan 0.000 0.532 587 S N -0.653 114.982 115.700 -0.108 0.000 2.593 587 S HA 0.226 4.696 4.470 0.000 0.000 0.235 587 S C 0.427 174.990 174.600 -0.063 0.000 1.059 587 S CA 0.202 58.355 58.200 -0.079 0.000 0.953 587 S CB 0.831 63.978 63.200 -0.087 0.000 0.897 587 S HN 0.495 nan 8.310 nan 0.000 0.507 588 V N 2.114 121.981 119.914 -0.077 0.000 4.139 588 V HA -0.110 4.011 4.120 0.000 0.000 0.423 588 V C -2.814 173.236 176.094 -0.074 0.000 0.673 588 V CA -0.686 61.574 62.300 -0.067 0.000 1.778 588 V CB -2.045 29.758 31.823 -0.034 0.000 2.178 588 V HN 0.249 nan 8.190 nan 0.000 0.486 589 P HA 0.330 nan 4.420 nan 0.000 0.272 589 P C -2.296 174.972 177.300 -0.055 0.000 1.240 589 P CA -1.366 61.677 63.100 -0.094 0.000 0.791 589 P CB 0.297 31.895 31.700 -0.170 0.000 0.978 590 P HA -0.029 nan 4.420 nan 0.000 0.232 590 P C 0.083 177.381 177.300 -0.004 0.000 1.606 590 P CA 0.733 63.835 63.100 0.004 0.000 1.105 590 P CB -0.410 31.320 31.700 0.050 0.000 1.919 591 V N 1.371 121.267 119.914 -0.030 0.000 3.090 591 V HA -0.063 4.057 4.120 0.000 0.000 0.237 591 V C 2.282 178.363 176.094 -0.021 0.000 1.209 591 V CA 0.355 62.637 62.300 -0.031 0.000 1.209 591 V CB -0.779 31.005 31.823 -0.065 0.000 0.971 591 V HN 0.269 nan 8.190 nan 0.000 0.477 592 I N 0.967 121.523 120.570 -0.022 0.000 2.290 592 I HA -0.196 3.974 4.170 0.000 0.000 0.253 592 I C 2.144 178.252 176.117 -0.016 0.000 1.112 592 I CA 2.152 63.444 61.300 -0.013 0.000 1.377 592 I CB -1.224 36.769 38.000 -0.011 0.000 1.060 592 I HN 0.325 nan 8.210 nan 0.000 0.428 593 G N 0.368 109.153 108.800 -0.026 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 0.683 175.569 174.900 -0.023 0.000 1.122 593 G CA 0.758 45.836 45.100 -0.036 0.000 0.769 593 G HN 0.481 nan 8.290 nan 0.000 0.549 594 S N -1.083 114.612 115.700 -0.009 0.000 2.647 594 S HA 0.389 4.859 4.470 0.000 0.000 0.300 594 S C 0.806 175.412 174.600 0.009 0.000 1.129 594 S CA -0.604 57.598 58.200 0.002 0.000 1.029 594 S CB 1.588 64.794 63.200 0.011 0.000 1.007 594 S HN 0.311 nan 8.310 nan 0.000 0.484 595 Q N 3.093 122.901 119.800 0.013 0.000 2.137 595 Q HA -0.008 4.333 4.340 0.000 0.000 0.198 595 Q C 1.303 177.318 176.000 0.025 0.000 0.960 595 Q CA 1.208 57.023 55.803 0.019 0.000 0.847 595 Q CB -0.184 28.565 28.738 0.019 0.000 0.915 595 Q HN 0.780 nan 8.270 nan 0.000 0.448 596 I N 0.072 120.658 120.570 0.026 0.000 2.163 596 I HA -0.269 3.902 4.170 0.000 0.000 0.243 596 I C 2.194 178.333 176.117 0.036 0.000 1.085 596 I CA 1.173 62.492 61.300 0.031 0.000 1.347 596 I CB -0.667 37.352 38.000 0.032 0.000 1.044 596 I HN -0.009 nan 8.210 nan 0.000 0.408 597 V N -0.116 119.817 119.914 0.033 0.000 2.261 597 V HA -0.294 3.826 4.120 0.000 0.000 0.246 597 V C 2.457 178.574 176.094 0.038 0.000 1.047 597 V CA 2.451 64.772 62.300 0.035 0.000 1.015 597 V CB -1.238 30.600 31.823 0.026 0.000 0.642 597 V HN 0.451 nan 8.190 nan 0.000 0.446 598 T N -0.317 114.253 114.554 0.028 0.000 2.737 598 T HA -0.305 4.045 4.350 0.000 0.000 0.269 598 T C 1.909 176.643 174.700 0.056 0.000 1.040 598 T CA 2.108 64.227 62.100 0.032 0.000 1.142 598 T CB -0.231 68.651 68.868 0.024 0.000 0.861 598 T HN 0.497 nan 8.240 nan 0.000 0.456 599 K N 0.715 121.145 120.400 0.050 0.000 1.984 599 K HA -0.002 4.319 4.320 0.000 0.000 0.209 599 K C 2.313 178.954 176.600 0.069 0.000 1.046 599 K CA 1.022 57.340 56.287 0.052 0.000 0.934 599 K CB -0.361 32.161 32.500 0.038 0.000 0.717 599 K HN 0.256 nan 8.250 nan 0.000 0.438 600 L N 1.177 122.441 121.223 0.069 0.000 2.021 600 L HA -0.225 4.115 4.340 0.000 0.000 0.215 600 L C 2.390 179.334 176.870 0.124 0.000 1.074 600 L CA 1.761 56.651 54.840 0.082 0.000 0.760 600 L CB -0.617 41.487 42.059 0.075 0.000 0.889 600 L HN 0.266 nan 8.230 nan 0.000 0.433 601 V N -4.475 115.534 119.914 0.158 0.000 3.573 601 V HA 0.003 4.123 4.120 0.000 0.000 0.270 601 V C 1.659 177.962 176.094 0.349 0.000 1.221 601 V CA 1.348 63.818 62.300 0.283 0.000 1.163 601 V CB -0.511 31.501 31.823 0.314 0.000 0.847 601 V HN 0.614 nan 8.190 nan 0.000 0.468 602 T N -4.496 110.199 114.554 0.234 0.000 3.058 602 T HA 0.395 4.745 4.350 0.000 0.000 0.278 602 T C 0.971 175.741 174.700 0.116 0.000 0.974 602 T CA 0.524 62.772 62.100 0.246 0.000 0.893 602 T CB 0.477 69.469 68.868 0.207 0.000 1.138 602 T HN 0.538 nan 8.240 nan 0.000 0.529 603 E N 0.642 120.886 120.200 0.074 0.000 3.155 603 E HA 0.099 4.449 4.350 0.000 0.000 0.208 603 E C 1.434 178.042 176.600 0.012 0.000 1.060 603 E CA 0.511 56.909 56.400 -0.004 0.000 1.522 603 E CB 0.145 29.842 29.700 -0.005 0.000 1.433 603 E HN 0.215 nan 8.360 nan 0.000 0.709 604 T N 1.463 116.042 114.554 0.042 0.000 2.962 604 T HA -0.069 4.281 4.350 0.000 0.000 0.270 604 T C 1.868 176.602 174.700 0.056 0.000 1.088 604 T CA 1.105 63.230 62.100 0.042 0.000 1.127 604 T CB -0.101 68.796 68.868 0.048 0.000 0.883 604 T HN 0.187 nan 8.240 nan 0.000 0.493 605 A N 1.767 124.639 122.820 0.086 0.000 1.968 605 A HA -0.015 4.305 4.320 0.000 0.000 0.217 605 A C 2.253 179.897 177.584 0.099 0.000 1.169 605 A CA 1.072 53.168 52.037 0.098 0.000 0.638 605 A CB -0.350 18.727 19.000 0.129 0.000 0.812 605 A HN 0.405 nan 8.150 nan 0.000 0.446 606 K N -0.064 120.392 120.400 0.094 0.000 2.113 606 K HA -0.173 4.147 4.320 0.000 0.000 0.208 606 K C 1.212 177.841 176.600 0.048 0.000 1.047 606 K CA 1.692 58.024 56.287 0.076 0.000 0.928 606 K CB -0.158 32.288 32.500 -0.089 0.000 0.716 606 K HN 0.553 nan 8.250 nan 0.000 0.446 607 D N 0.593 121.010 120.400 0.029 0.000 2.178 607 D HA -0.055 4.585 4.640 0.000 0.000 0.217 607 D C 2.112 178.431 176.300 0.032 0.000 0.992 607 D CA 0.590 54.605 54.000 0.023 0.000 0.895 607 D CB -0.505 40.304 40.800 0.015 0.000 1.031 607 D HN 0.010 nan 8.370 nan 0.000 0.453 608 L N 0.564 121.808 121.223 0.035 0.000 2.058 608 L HA -0.217 4.124 4.340 0.000 0.000 0.226 608 L C 2.243 179.135 176.870 0.037 0.000 1.089 608 L CA 1.381 56.243 54.840 0.036 0.000 0.799 608 L CB -0.242 41.843 42.059 0.043 0.000 0.900 608 L HN 0.004 nan 8.230 nan 0.000 0.442 609 V N -1.788 118.152 119.914 0.043 0.000 3.398 609 V HA 0.325 4.445 4.120 0.000 0.000 0.298 609 V C 1.197 177.315 176.094 0.040 0.000 1.496 609 V CA 0.783 63.106 62.300 0.038 0.000 1.044 609 V CB 0.671 32.516 31.823 0.037 0.000 0.880 609 V HN 0.678 nan 8.190 nan 0.000 0.443 610 G N 0.417 109.250 108.800 0.056 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 0.798 175.767 174.900 0.114 0.000 1.069 610 G CA 0.345 45.489 45.100 0.073 0.000 0.633 610 G HN 1.316 nan 8.290 nan 0.000 0.517 611 G N -0.601 108.232 108.800 0.055 0.000 2.522 611 G HA2 0.839 4.799 3.960 0.000 0.000 0.304 611 G HA3 0.839 4.799 3.960 0.000 0.000 0.304 611 G C -0.556 174.382 174.900 0.063 0.000 1.210 611 G CA -0.071 45.010 45.100 -0.032 0.000 0.960 611 G HN 1.732 nan 8.290 nan 0.000 0.497 612 Y N -3.110 117.097 120.300 -0.154 0.000 2.662 612 Y HA 0.606 5.156 4.550 0.000 0.000 0.334 612 Y C -1.526 174.278 175.900 -0.160 0.000 1.185 612 Y CA -2.104 55.926 58.100 -0.116 0.000 1.074 612 Y CB 0.597 39.050 38.460 -0.011 0.000 1.330 612 Y HN 0.445 nan 8.280 nan 0.000 0.458 613 F N 2.402 122.436 119.950 0.139 0.000 2.375 613 F HA 0.624 5.151 4.527 0.000 0.000 0.333 613 F C 0.178 176.078 175.800 0.166 0.000 1.104 613 F CA -0.508 57.530 58.000 0.063 0.000 1.149 613 F CB 1.178 40.205 39.000 0.045 0.000 1.190 613 F HN 0.390 nan 8.300 nan 0.000 0.533 614 I N 3.805 124.579 120.570 0.341 0.000 2.537 614 I HA 0.188 4.358 4.170 0.000 0.000 0.276 614 I C -1.156 175.134 176.117 0.290 0.000 1.063 614 I CA -0.580 60.904 61.300 0.306 0.000 1.144 614 I CB 1.010 39.172 38.000 0.271 0.000 1.252 614 I HN 0.160 nan 8.210 nan 0.000 0.480 615 V N 4.229 124.266 119.914 0.206 0.000 2.455 615 V HA 0.333 4.453 4.120 0.000 0.000 0.273 615 V C -0.046 176.142 176.094 0.157 0.000 1.045 615 V CA 0.052 62.428 62.300 0.127 0.000 0.976 615 V CB 0.870 32.725 31.823 0.053 0.000 0.993 615 V HN 0.624 nan 8.190 nan 0.000 0.475 616 D N 3.082 123.599 120.400 0.195 0.000 2.688 616 D HA 0.109 4.749 4.640 0.000 0.000 0.210 616 D C 0.594 177.014 176.300 0.200 0.000 1.333 616 D CA -0.132 53.980 54.000 0.187 0.000 0.920 616 D CB 2.332 43.248 40.800 0.193 0.000 1.554 616 D HN 0.612 nan 8.370 nan 0.000 0.579 617 T N 0.019 114.637 114.554 0.108 0.000 3.169 617 T HA 0.128 4.478 4.350 0.000 0.000 0.250 617 T C 0.402 175.144 174.700 0.071 0.000 1.111 617 T CA -0.249 61.898 62.100 0.079 0.000 1.010 617 T CB 0.109 69.000 68.868 0.039 0.000 0.984 617 T HN 0.200 nan 8.240 nan 0.000 0.537 618 D N 1.407 121.855 120.400 0.079 0.000 2.441 618 D HA 0.376 5.016 4.640 0.000 0.000 0.231 618 D C -1.834 174.496 176.300 0.049 0.000 1.073 618 D CA -2.670 51.361 54.000 0.052 0.000 0.850 618 D CB 1.863 42.687 40.800 0.039 0.000 1.062 618 D HN -0.149 nan 8.370 nan 0.000 0.524 619 P HA -0.270 nan 4.420 nan 0.000 0.219 619 P C 1.203 178.512 177.300 0.014 0.000 1.161 619 P CA 1.533 64.656 63.100 0.038 0.000 0.909 619 P CB 0.249 31.967 31.700 0.030 0.000 0.793 620 K N -0.648 119.761 120.400 0.016 0.000 2.009 620 K HA -0.135 4.185 4.320 0.000 0.000 0.210 620 K C 2.358 178.962 176.600 0.006 0.000 1.049 620 K CA 1.691 57.984 56.287 0.010 0.000 0.929 620 K CB -1.443 31.064 32.500 0.012 0.000 0.714 620 K HN 0.130 nan 8.250 nan 0.000 0.440 621 S N 0.635 116.342 115.700 0.012 0.000 2.368 621 S HA -0.143 4.327 4.470 0.000 0.000 0.225 621 S C 2.063 176.660 174.600 -0.005 0.000 1.030 621 S CA 1.418 59.627 58.200 0.015 0.000 0.999 621 S CB -0.192 63.026 63.200 0.029 0.000 0.844 621 S HN 0.364 nan 8.310 nan 0.000 0.459 622 A N 1.012 123.804 122.820 -0.048 0.000 1.865 622 A HA 0.068 4.388 4.320 0.000 0.000 0.217 622 A C 2.425 179.915 177.584 -0.157 0.000 1.191 622 A CA 1.974 53.893 52.037 -0.197 0.000 0.623 622 A CB -1.828 16.878 19.000 -0.490 0.000 0.826 622 A HN 0.653 nan 8.150 nan 0.000 0.444 623 G N -0.274 108.478 108.800 -0.080 0.000 2.469 623 G HA2 -0.304 3.656 3.960 0.000 0.000 0.219 623 G HA3 -0.304 3.656 3.960 0.000 0.000 0.219 623 G C 1.127 176.051 174.900 0.041 0.000 1.150 623 G CA 1.417 46.514 45.100 -0.006 0.000 0.763 623 G HN 0.479 nan 8.290 nan 0.000 0.561 624 D N 0.527 120.947 120.400 0.034 0.000 2.117 624 D HA -0.030 4.611 4.640 0.000 0.000 0.198 624 D C 2.547 178.903 176.300 0.094 0.000 0.982 624 D CA 0.840 54.884 54.000 0.073 0.000 0.828 624 D CB -0.130 40.699 40.800 0.048 0.000 0.967 624 D HN 0.330 nan 8.370 nan 0.000 0.464 625 K N 0.152 120.586 120.400 0.056 0.000 2.097 625 K HA -0.005 4.315 4.320 0.000 0.000 0.205 625 K C 2.290 178.932 176.600 0.071 0.000 1.050 625 K CA 0.418 56.747 56.287 0.069 0.000 0.938 625 K CB -0.029 32.512 32.500 0.069 0.000 0.718 625 K HN 0.155 nan 8.250 nan 0.000 0.442 626 L N -0.176 121.070 121.223 0.039 0.000 1.976 626 L HA -0.218 4.123 4.340 0.000 0.000 0.209 626 L C 2.523 179.430 176.870 0.061 0.000 1.071 626 L CA 1.508 56.364 54.840 0.026 0.000 0.746 626 L CB -0.594 41.460 42.059 -0.009 0.000 0.890 626 L HN 0.145 nan 8.230 nan 0.000 0.432 627 Y N 0.468 120.759 120.300 -0.016 0.000 2.256 627 Y HA -0.313 4.237 4.550 0.000 0.000 0.288 627 Y C 2.453 178.357 175.900 0.006 0.000 1.155 627 Y CA 1.339 59.434 58.100 -0.007 0.000 1.203 627 Y CB -0.102 38.357 38.460 -0.002 0.000 0.980 627 Y HN 0.170 nan 8.280 nan 0.000 0.530 628 A N 0.162 123.029 122.820 0.078 0.000 1.902 628 A HA -0.148 4.172 4.320 0.000 0.000 0.217 628 A C 2.373 179.943 177.584 -0.025 0.000 1.181 628 A CA 1.764 53.815 52.037 0.023 0.000 0.623 628 A CB -1.381 17.662 19.000 0.071 0.000 0.818 628 A HN 0.566 nan 8.150 nan 0.000 0.443 629 A N -0.146 122.681 122.820 0.012 0.000 1.898 629 A HA -0.023 4.297 4.320 0.000 0.000 0.216 629 A C 2.110 179.666 177.584 -0.046 0.000 1.181 629 A CA 1.365 53.424 52.037 0.037 0.000 0.620 629 A CB -0.561 18.490 19.000 0.085 0.000 0.819 629 A HN 0.484 nan 8.150 nan 0.000 0.442 630 I N -0.939 119.558 120.570 -0.121 0.000 2.208 630 I HA -0.288 3.882 4.170 0.000 0.000 0.245 630 I C 2.786 178.771 176.117 -0.220 0.000 1.097 630 I CA 1.710 62.902 61.300 -0.179 0.000 1.363 630 I CB -0.259 37.590 38.000 -0.252 0.000 1.051 630 I HN 0.330 nan 8.210 nan 0.000 0.413 631 Q N 0.574 120.188 119.800 -0.310 0.000 2.119 631 Q HA -0.217 4.123 4.340 0.000 0.000 0.201 631 Q C 2.099 178.028 176.000 -0.119 0.000 0.972 631 Q CA 1.450 57.101 55.803 -0.253 0.000 0.847 631 Q CB -0.192 28.382 28.738 -0.273 0.000 0.903 631 Q HN 0.285 nan 8.270 nan 0.000 0.433 632 E N -0.107 120.046 120.200 -0.079 0.000 2.077 632 E HA -0.175 4.175 4.350 0.000 0.000 0.193 632 E C 1.762 178.346 176.600 -0.027 0.000 0.989 632 E CA 0.882 57.262 56.400 -0.033 0.000 0.800 632 E CB 0.102 29.802 29.700 -0.001 0.000 0.746 632 E HN 0.153 nan 8.360 nan 0.000 0.452 633 R N 0.513 120.994 120.500 -0.031 0.000 2.096 633 R HA -0.042 4.298 4.340 0.000 0.000 0.235 633 R C 2.321 178.600 176.300 -0.034 0.000 1.127 633 R CA 0.649 56.734 56.100 -0.024 0.000 0.968 633 R CB -0.575 29.706 30.300 -0.031 0.000 0.861 633 R HN 0.122 nan 8.270 nan 0.000 0.440 634 R N 0.472 120.938 120.500 -0.056 0.000 2.094 634 R HA -0.086 4.254 4.340 0.000 0.000 0.239 634 R C 2.139 178.419 176.300 -0.033 0.000 1.137 634 R CA 1.627 57.696 56.100 -0.051 0.000 0.943 634 R CB -0.903 29.353 30.300 -0.073 0.000 0.850 634 R HN 0.241 nan 8.270 nan 0.000 0.433 635 A N 0.364 123.164 122.820 -0.032 0.000 1.903 635 A HA -0.161 4.159 4.320 0.000 0.000 0.219 635 A C 2.235 179.811 177.584 -0.014 0.000 1.191 635 A CA 2.077 54.101 52.037 -0.020 0.000 0.638 635 A CB -1.216 17.773 19.000 -0.018 0.000 0.823 635 A HN 0.483 nan 8.150 nan 0.000 0.451 636 G N -1.477 107.315 108.800 -0.013 0.000 2.807 636 G HA2 0.303 4.263 3.960 0.000 0.000 0.207 636 G HA3 0.303 4.263 3.960 0.000 0.000 0.207 636 G C 0.418 175.313 174.900 -0.008 0.000 1.151 636 G CA 0.452 45.548 45.100 -0.008 0.000 0.800 636 G HN 0.403 nan 8.290 nan 0.000 0.523 637 L N 0.000 121.217 121.223 -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 -0.009 0.000 0.813 637 L CB 0.000 42.052 42.059 -0.011 0.000 0.961 637 L HN 0.000 nan 8.230 nan 0.000 0.502