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 3eoe_1_A DATA FIRST_RESID 21 DATA SEQUENCE MSQILEPRSE EDWTAHRTRI VCTMGPACWN VDTLVKMIDA GMNVCRLNFS DATA SEQUENCE HGDHETHART VQNIQEAMKQ RPXARLAILL DTKGPEIRTG FLKDHKPITL DATA SEQUENCE QQGATLKIVT DYNLIGDETT IACSYGALPQ SVKPGNTILI ADGSLSVKVV DATA SEQUENCE EVGSDYVITQ AQNTATIGER KNMNLPNVKV QLPVIGEKDK HDILNFGIPM DATA SEQUENCE GCNFIAASFV QSADDVRYIR GLLGPRGRHI RIIPKIENVE GLVNFDEILA DATA SEQUENCE EADGIMIARG DLGMEIPPEK VFLAQKMMIA KCNVVGKPVI TATQMLESMI DATA SEQUENCE KNPRPTRAEA ADVANAVLDG TDCVMLSGET ANGEFPVITV ETMARICYEA DATA SEQUENCE ETCVDYPALY RAMCLXXXPP ISTQEAVARA AVETAECVNA AIILALTETG DATA SEQUENCE QTARLIAKYR PMQPILALSA SESTIKHLQV IRGVTTMQVP SXXXXXHVIR DATA SEQUENCE NAIVVAKERE LVXEGESIVA VHGXXXXXXX XXNLLKVLTV E 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 21 M HA 0.000 nan 4.480 nan 0.000 0.227 21 M C 0.000 176.305 176.300 0.008 0.000 1.140 21 M CA 0.000 55.302 55.300 0.004 0.000 0.988 21 M CB 0.000 32.601 32.600 0.001 0.000 1.302 22 S N 1.004 116.710 115.700 0.010 0.000 2.387 22 S HA 0.025 4.422 4.470 -0.122 0.000 0.230 22 S C 2.110 176.722 174.600 0.021 0.000 1.035 22 S CA 3.888 62.096 58.200 0.014 0.000 1.014 22 S CB -0.786 62.422 63.200 0.014 0.000 0.836 22 S HN 1.866 nan 8.310 nan 0.000 0.466 23 Q N 0.551 120.364 119.800 0.022 0.000 2.079 23 Q HA 0.138 4.405 4.340 -0.122 0.000 0.200 23 Q C 2.179 178.200 176.000 0.035 0.000 0.974 23 Q CA 1.417 57.238 55.803 0.030 0.000 0.840 23 Q CB -0.926 27.828 28.738 0.027 0.000 0.898 23 Q HN 0.843 nan 8.270 nan 0.000 0.430 24 I N 0.043 120.627 120.570 0.024 0.000 2.226 24 I HA -0.170 3.927 4.170 -0.122 0.000 0.245 24 I C 1.956 178.088 176.117 0.026 0.000 1.100 24 I CA 1.049 62.362 61.300 0.022 0.000 1.374 24 I CB 0.063 38.068 38.000 0.008 0.000 1.057 24 I HN 0.292 nan 8.210 nan 0.000 0.413 25 L N 0.352 121.588 121.223 0.022 0.000 2.627 25 L HA 0.087 4.354 4.340 -0.122 0.000 0.232 25 L C 0.662 177.547 176.870 0.026 0.000 1.150 25 L CA -0.049 54.802 54.840 0.019 0.000 0.917 25 L CB -0.399 41.666 42.059 0.011 0.000 1.104 25 L HN 0.173 nan 8.230 nan 0.000 0.445 26 E N 1.641 121.865 120.200 0.039 0.000 2.229 26 E HA 0.242 4.519 4.350 -0.122 0.000 0.283 26 E C -2.204 174.432 176.600 0.061 0.000 1.030 26 E CA -2.025 54.403 56.400 0.046 0.000 0.836 26 E CB 1.024 30.756 29.700 0.052 0.000 1.068 26 E HN -0.076 nan 8.360 nan 0.000 0.401 27 P HA 0.022 nan 4.420 nan 0.000 0.263 27 P C -1.110 176.247 177.300 0.095 0.000 1.195 27 P CA 0.030 63.169 63.100 0.064 0.000 0.762 27 P CB 0.457 32.187 31.700 0.049 0.000 0.799 28 R N 1.986 122.566 120.500 0.133 0.000 2.265 28 R HA 0.246 4.513 4.340 -0.122 0.000 0.314 28 R C 0.588 177.007 176.300 0.199 0.000 1.053 28 R CA -0.273 55.929 56.100 0.171 0.000 0.931 28 R CB 0.348 30.789 30.300 0.236 0.000 1.024 28 R HN 0.551 nan 8.270 nan 0.000 0.457 29 S N 0.994 116.740 115.700 0.077 0.000 2.579 29 S HA 0.081 4.478 4.470 -0.122 0.000 0.275 29 S C 1.573 176.059 174.600 -0.190 0.000 1.345 29 S CA 0.075 58.276 58.200 0.003 0.000 1.031 29 S CB 0.909 64.080 63.200 -0.048 0.000 0.892 29 S HN 0.656 nan 8.310 nan 0.000 0.529 30 E N 0.568 120.594 120.200 -0.290 0.000 2.204 30 E HA -0.182 4.095 4.350 -0.122 0.000 0.195 30 E C 1.806 177.908 176.600 -0.829 0.000 0.990 30 E CA 1.540 57.422 56.400 -0.863 0.000 0.821 30 E CB -0.948 28.484 29.700 -0.446 0.000 0.750 30 E HN 0.900 nan 8.360 nan 0.000 0.477 31 E N 0.080 120.017 120.200 -0.438 0.000 2.110 31 E HA -0.218 4.059 4.350 -0.122 0.000 0.193 31 E C 1.305 177.705 176.600 -0.334 0.000 0.988 31 E CA 1.466 57.675 56.400 -0.317 0.000 0.804 31 E CB -0.042 29.550 29.700 -0.180 0.000 0.745 31 E HN 0.530 nan 8.360 nan 0.000 0.458 32 D N 0.105 120.272 120.400 -0.388 0.000 2.110 32 D HA -0.123 4.444 4.640 -0.122 0.000 0.202 32 D C 1.846 177.684 176.300 -0.769 0.000 0.975 32 D CA 1.182 54.903 54.000 -0.464 0.000 0.839 32 D CB -0.747 39.814 40.800 -0.399 0.000 0.996 32 D HN 0.504 nan 8.370 nan 0.000 0.464 33 W N 1.032 121.913 121.300 -0.699 0.000 2.699 33 W HA 0.046 4.630 4.660 -0.128 0.000 0.249 33 W C 0.927 177.447 176.519 0.001 0.000 1.280 33 W CA 0.493 57.533 57.345 -0.509 0.000 1.345 33 W CB -1.195 28.088 29.460 -0.296 0.000 1.128 33 W HN -0.207 nan 8.180 nan 0.000 0.642 34 T N 2.199 116.558 114.554 -0.324 0.000 2.867 34 T HA -0.020 4.257 4.350 -0.122 0.000 0.268 34 T C 1.826 176.544 174.700 0.029 0.000 1.057 34 T CA 1.817 63.837 62.100 -0.133 0.000 1.136 34 T CB -0.265 68.369 68.868 -0.390 0.000 0.874 34 T HN 0.240 nan 8.240 nan 0.000 0.466 35 A N 2.718 125.540 122.820 0.003 0.000 2.503 35 A HA 0.146 4.393 4.320 -0.122 0.000 0.263 35 A C 0.608 178.304 177.584 0.188 0.000 1.360 35 A CA -0.555 51.507 52.037 0.042 0.000 0.969 35 A CB -0.866 18.157 19.000 0.040 0.000 1.000 35 A HN 0.683 nan 8.150 nan 0.000 0.530 36 H N -1.545 117.669 119.070 0.240 0.000 2.615 36 H HA 0.369 4.847 4.556 -0.129 0.000 0.363 36 H C 0.214 175.652 175.328 0.183 0.000 1.148 36 H CA -0.532 55.693 56.048 0.295 0.000 1.401 36 H CB 0.836 30.791 29.762 0.322 0.000 1.461 36 H HN 0.174 nan 8.280 nan 0.000 0.588 37 R N 1.342 121.959 120.500 0.194 0.000 2.156 37 R HA 0.074 4.341 4.340 -0.122 0.000 0.207 37 R C 0.356 176.726 176.300 0.117 0.000 1.040 37 R CA 0.278 56.441 56.100 0.105 0.000 1.013 37 R CB -0.436 29.949 30.300 0.143 0.000 0.931 37 R HN 0.562 nan 8.270 nan 0.000 0.465 38 T N 3.272 117.954 114.554 0.214 0.000 2.926 38 T HA 0.178 4.455 4.350 -0.122 0.000 0.307 38 T C 0.526 175.359 174.700 0.222 0.000 1.059 38 T CA -0.183 62.033 62.100 0.193 0.000 1.122 38 T CB 0.968 69.942 68.868 0.176 0.000 0.972 38 T HN -0.074 nan 8.240 nan 0.000 0.545 39 R N 1.859 122.441 120.500 0.136 0.000 2.536 39 R HA 0.557 4.824 4.340 -0.122 0.000 0.279 39 R C -0.347 176.026 176.300 0.121 0.000 1.001 39 R CA -0.767 55.406 56.100 0.121 0.000 1.027 39 R CB 0.777 31.118 30.300 0.067 0.000 1.096 39 R HN 0.585 nan 8.270 nan 0.000 0.502 40 I N 1.636 122.285 120.570 0.132 0.000 2.389 40 I HA 0.249 4.346 4.170 -0.122 0.000 0.288 40 I C -0.293 175.868 176.117 0.074 0.000 0.999 40 I CA -1.012 60.351 61.300 0.105 0.000 1.129 40 I CB 2.000 40.080 38.000 0.134 0.000 1.288 40 I HN 0.043 nan 8.210 nan 0.000 0.444 41 V N 5.419 125.361 119.914 0.047 0.000 2.394 41 V HA 0.309 4.356 4.120 -0.122 0.000 0.282 41 V C -0.193 175.930 176.094 0.048 0.000 1.031 41 V CA -0.461 61.862 62.300 0.038 0.000 0.881 41 V CB 1.264 33.091 31.823 0.007 0.000 0.982 41 V HN 0.793 nan 8.190 nan 0.000 0.451 42 C N 3.416 122.753 119.300 0.061 0.000 2.351 42 C HA 0.548 4.935 4.460 -0.122 0.000 0.326 42 C C 0.839 175.870 174.990 0.068 0.000 1.272 42 C CA -0.584 58.471 59.018 0.061 0.000 1.650 42 C CB 1.031 28.811 27.740 0.068 0.000 2.257 42 C HN 0.884 nan 8.230 nan 0.000 0.505 43 T N 5.677 120.266 114.554 0.058 0.000 2.851 43 T HA 0.245 4.522 4.350 -0.122 0.000 0.298 43 T C 0.393 175.136 174.700 0.071 0.000 0.977 43 T CA -0.168 61.973 62.100 0.069 0.000 1.126 43 T CB 0.281 69.184 68.868 0.058 0.000 0.916 43 T HN 0.453 nan 8.240 nan 0.000 0.529 44 M N 2.835 122.502 119.600 0.110 0.000 2.250 44 M HA 0.588 4.995 4.480 -0.122 0.000 0.344 44 M C 0.826 177.181 176.300 0.091 0.000 1.150 44 M CA -0.125 55.258 55.300 0.138 0.000 1.147 44 M CB 0.613 33.349 32.600 0.228 0.000 1.498 44 M HN 0.916 nan 8.290 nan 0.000 0.461 45 G N 2.141 110.923 108.800 -0.030 0.000 2.356 45 G HA2 0.382 4.269 3.960 -0.122 0.000 0.294 45 G HA3 0.382 4.269 3.960 -0.122 0.000 0.294 45 G C -2.885 171.390 174.900 -1.041 0.000 1.423 45 G CA -0.780 44.109 45.100 -0.352 0.000 0.806 45 G HN 0.320 nan 8.290 nan 0.000 0.527 46 P HA -0.182 nan 4.420 nan 0.000 0.219 46 P C 1.960 178.795 177.300 -0.774 0.000 1.153 46 P CA 2.718 64.736 63.100 -1.803 0.000 0.865 46 P CB 0.198 31.224 31.700 -1.124 0.000 0.788 47 A N -1.466 121.061 122.820 -0.487 0.000 2.119 47 A HA -0.081 4.166 4.320 -0.122 0.000 0.216 47 A C 1.913 179.409 177.584 -0.147 0.000 1.152 47 A CA 1.471 53.352 52.037 -0.258 0.000 0.708 47 A CB -1.106 17.767 19.000 -0.212 0.000 0.805 47 A HN 0.470 nan 8.150 nan 0.000 0.460 48 C N -5.688 113.534 119.300 -0.131 0.000 3.772 48 C HA 0.342 4.729 4.460 -0.122 0.000 0.293 48 C C 1.526 176.596 174.990 0.133 0.000 1.659 48 C CA -0.941 58.081 59.018 0.007 0.000 1.810 48 C CB -1.524 26.225 27.740 0.015 0.000 3.059 48 C HN 0.544 nan 8.230 nan 0.000 0.617 49 W N 4.430 125.735 121.300 0.010 0.000 2.290 49 W HA -0.093 4.492 4.660 -0.125 0.000 0.323 49 W C 1.155 177.686 176.519 0.020 0.000 1.260 49 W CA 2.026 59.379 57.345 0.013 0.000 1.266 49 W CB -1.021 28.439 29.460 -0.001 0.000 1.149 49 W HN 0.660 nan 8.180 nan 0.000 0.482 50 N N 0.463 119.332 118.700 0.282 0.000 2.518 50 N HA 0.022 4.689 4.740 -0.122 0.000 0.266 50 N C 0.857 176.435 175.510 0.114 0.000 1.196 50 N CA 0.287 53.437 53.050 0.165 0.000 0.947 50 N CB 0.743 39.312 38.487 0.137 0.000 1.098 50 N HN -0.088 nan 8.380 nan 0.000 0.450 51 V N 1.083 121.048 119.914 0.084 0.000 2.370 51 V HA -0.317 3.730 4.120 -0.122 0.000 0.252 51 V C 1.632 177.763 176.094 0.063 0.000 1.068 51 V CA 2.108 64.449 62.300 0.067 0.000 1.061 51 V CB -0.586 31.266 31.823 0.049 0.000 0.656 51 V HN 0.653 nan 8.190 nan 0.000 0.455 52 D N 0.789 121.225 120.400 0.060 0.000 2.088 52 D HA -0.170 4.397 4.640 -0.122 0.000 0.191 52 D C 2.359 178.693 176.300 0.056 0.000 0.992 52 D CA 2.477 56.508 54.000 0.052 0.000 0.831 52 D CB -0.672 40.157 40.800 0.048 0.000 0.973 52 D HN 0.652 nan 8.370 nan 0.000 0.447 53 T N -0.656 113.934 114.554 0.061 0.000 2.995 53 T HA -0.065 4.212 4.350 -0.122 0.000 0.269 53 T C 2.053 176.794 174.700 0.069 0.000 1.091 53 T CA 0.204 62.340 62.100 0.061 0.000 1.128 53 T CB -0.312 68.587 68.868 0.052 0.000 0.891 53 T HN -0.071 nan 8.240 nan 0.000 0.492 54 L N 1.272 122.541 121.223 0.077 0.000 2.046 54 L HA 0.083 4.350 4.340 -0.122 0.000 0.208 54 L C 2.717 179.631 176.870 0.074 0.000 1.077 54 L CA 1.152 56.041 54.840 0.082 0.000 0.747 54 L CB -0.807 41.308 42.059 0.093 0.000 0.896 54 L HN 0.168 nan 8.230 nan 0.000 0.432 55 V N -0.019 119.934 119.914 0.065 0.000 2.343 55 V HA -0.289 3.758 4.120 -0.122 0.000 0.247 55 V C 2.919 179.049 176.094 0.060 0.000 1.051 55 V CA 2.193 64.527 62.300 0.057 0.000 1.036 55 V CB -1.071 30.781 31.823 0.047 0.000 0.654 55 V HN 0.591 nan 8.190 nan 0.000 0.451 56 K N -0.747 119.691 120.400 0.063 0.000 2.211 56 K HA -0.055 4.192 4.320 -0.122 0.000 0.203 56 K C 1.844 178.493 176.600 0.082 0.000 1.050 56 K CA 1.738 58.066 56.287 0.068 0.000 0.945 56 K CB -0.573 31.967 32.500 0.066 0.000 0.732 56 K HN 0.535 nan 8.250 nan 0.000 0.451 57 M N -0.343 119.307 119.600 0.082 0.000 2.236 57 M HA 0.113 4.520 4.480 -0.122 0.000 0.266 57 M C 2.287 178.647 176.300 0.099 0.000 1.070 57 M CA 1.113 56.469 55.300 0.092 0.000 1.137 57 M CB -0.281 32.369 32.600 0.084 0.000 1.378 57 M HN 0.257 nan 8.290 nan 0.000 0.426 58 I N 1.303 121.925 120.570 0.086 0.000 2.118 58 I HA -0.319 3.778 4.170 -0.122 0.000 0.241 58 I C 1.340 177.507 176.117 0.083 0.000 1.070 58 I CA 1.826 63.175 61.300 0.081 0.000 1.327 58 I CB -0.580 37.459 38.000 0.065 0.000 1.034 58 I HN 0.429 nan 8.210 nan 0.000 0.405 59 D N 0.248 120.693 120.400 0.076 0.000 2.370 59 D HA 0.144 4.711 4.640 -0.122 0.000 0.230 59 D C 1.097 177.460 176.300 0.105 0.000 1.143 59 D CA 0.402 54.442 54.000 0.067 0.000 0.834 59 D CB 0.285 41.105 40.800 0.034 0.000 0.944 59 D HN 0.248 nan 8.370 nan 0.000 0.504 60 A N -0.155 122.756 122.820 0.152 0.000 2.063 60 A HA 0.610 4.857 4.320 -0.122 0.000 0.211 60 A C 1.900 179.662 177.584 0.296 0.000 1.177 60 A CA 0.511 52.693 52.037 0.242 0.000 0.759 60 A CB 0.170 19.285 19.000 0.192 0.000 0.857 60 A HN 0.536 nan 8.150 nan 0.000 0.468 61 G N -1.640 107.295 108.800 0.224 0.000 2.870 61 G HA2 -0.056 3.831 3.960 -0.122 0.000 0.216 61 G HA3 -0.056 3.831 3.960 -0.122 0.000 0.216 61 G C 0.245 175.262 174.900 0.196 0.000 0.973 61 G CA 0.003 45.263 45.100 0.266 0.000 0.807 61 G HN 0.406 nan 8.290 nan 0.000 0.573 62 M N 1.438 121.125 119.600 0.146 0.000 2.290 62 M HA 0.253 4.660 4.480 -0.122 0.000 0.356 62 M C 0.927 177.291 176.300 0.107 0.000 1.448 62 M CA 1.137 56.507 55.300 0.118 0.000 0.993 62 M CB 0.119 32.779 32.600 0.101 0.000 1.934 62 M HN 0.266 nan 8.290 nan 0.000 0.461 63 N N 2.556 121.318 118.700 0.102 0.000 2.460 63 N HA 0.202 4.869 4.740 -0.122 0.000 0.193 63 N C -1.051 174.516 175.510 0.095 0.000 1.080 63 N CA -0.177 52.928 53.050 0.091 0.000 0.869 63 N CB 1.002 39.541 38.487 0.086 0.000 1.201 63 N HN 0.409 nan 8.380 nan 0.000 0.457 64 V N 0.728 120.696 119.914 0.090 0.000 2.841 64 V HA 0.388 4.435 4.120 -0.122 0.000 0.310 64 V C -0.964 175.189 176.094 0.098 0.000 1.090 64 V CA -0.941 61.418 62.300 0.098 0.000 0.930 64 V CB 2.150 34.007 31.823 0.057 0.000 1.014 64 V HN 0.095 nan 8.190 nan 0.000 0.425 65 C N 4.107 123.479 119.300 0.120 0.000 2.264 65 C HA 0.570 4.957 4.460 -0.122 0.000 0.324 65 C C 0.431 175.501 174.990 0.133 0.000 1.267 65 C CA -0.714 58.378 59.018 0.124 0.000 1.618 65 C CB 0.370 28.192 27.740 0.136 0.000 2.278 65 C HN 0.915 nan 8.230 nan 0.000 0.499 66 R N 3.771 124.340 120.500 0.115 0.000 2.229 66 R HA 0.572 4.839 4.340 -0.122 0.000 0.328 66 R C -1.164 175.217 176.300 0.135 0.000 1.009 66 R CA -0.378 55.790 56.100 0.113 0.000 0.864 66 R CB 0.399 30.748 30.300 0.083 0.000 1.085 66 R HN 0.780 nan 8.270 nan 0.000 0.453 67 L N 4.348 125.658 121.223 0.145 0.000 2.257 67 L HA 0.277 4.544 4.340 -0.122 0.000 0.290 67 L C -0.050 176.883 176.870 0.106 0.000 1.044 67 L CA -0.789 54.126 54.840 0.125 0.000 0.810 67 L CB 1.162 43.289 42.059 0.114 0.000 1.193 67 L HN 0.579 nan 8.230 nan 0.000 0.425 68 N N 2.667 121.431 118.700 0.107 0.000 2.469 68 N HA 0.164 4.831 4.740 -0.122 0.000 0.239 68 N C 0.104 175.646 175.510 0.054 0.000 1.053 68 N CA -0.148 52.974 53.050 0.120 0.000 0.937 68 N CB 0.409 38.994 38.487 0.163 0.000 1.163 68 N HN 0.328 nan 8.380 nan 0.000 0.509 69 F N 1.166 121.042 119.950 -0.124 0.000 2.804 69 F HA 0.114 4.565 4.527 -0.125 0.000 0.303 69 F C 1.998 177.763 175.800 -0.058 0.000 1.154 69 F CA 0.100 58.028 58.000 -0.119 0.000 1.401 69 F CB 0.121 38.987 39.000 -0.223 0.000 1.106 69 F HN 0.450 nan 8.300 nan 0.000 0.568 70 S N -1.453 114.223 115.700 -0.039 0.000 2.423 70 S HA -0.082 4.315 4.470 -0.122 0.000 0.231 70 S C 0.549 174.880 174.600 -0.448 0.000 1.014 70 S CA 0.902 58.928 58.200 -0.290 0.000 0.965 70 S CB -0.305 62.600 63.200 -0.492 0.000 0.785 70 S HN 0.323 nan 8.310 nan 0.000 0.495 71 H N -0.771 118.344 119.070 0.075 0.000 2.864 71 H HA 0.562 5.044 4.556 -0.123 0.000 0.354 71 H C 0.738 176.074 175.328 0.013 0.000 1.208 71 H CA -0.177 55.895 56.048 0.041 0.000 1.191 71 H CB 0.724 30.499 29.762 0.021 0.000 1.889 71 H HN 0.326 nan 8.280 nan 0.000 0.574 72 G N 0.949 109.793 108.800 0.074 0.000 2.846 72 G HA2 -0.167 3.720 3.960 -0.122 0.000 0.660 72 G HA3 -0.167 3.720 3.960 -0.122 0.000 0.660 72 G C -0.765 174.081 174.900 -0.090 0.000 1.464 72 G CA 0.081 45.088 45.100 -0.154 0.000 0.891 72 G HN 0.909 nan 8.290 nan 0.000 0.552 73 D N -2.443 117.893 120.400 -0.107 0.000 2.525 73 D HA 0.565 5.132 4.640 -0.122 0.000 0.249 73 D C 1.228 177.638 176.300 0.182 0.000 1.072 73 D CA -0.426 53.631 54.000 0.095 0.000 1.067 73 D CB 0.468 41.325 40.800 0.096 0.000 1.282 73 D HN 0.524 nan 8.370 nan 0.000 0.587 74 H N -0.982 118.204 119.070 0.193 0.000 2.387 74 H HA -0.127 4.358 4.556 -0.119 0.000 0.299 74 H C 2.071 177.600 175.328 0.334 0.000 1.099 74 H CA 1.774 58.037 56.048 0.359 0.000 1.315 74 H CB 0.184 30.211 29.762 0.441 0.000 1.380 74 H HN 0.732 nan 8.280 nan 0.000 0.513 75 E N 0.985 121.362 120.200 0.294 0.000 2.072 75 E HA -0.136 4.141 4.350 -0.122 0.000 0.191 75 E C 2.202 178.831 176.600 0.050 0.000 0.985 75 E CA 1.460 57.955 56.400 0.158 0.000 0.801 75 E CB -1.166 28.586 29.700 0.087 0.000 0.750 75 E HN 0.402 nan 8.360 nan 0.000 0.452 76 T N -0.035 114.489 114.554 -0.050 0.000 2.720 76 T HA -0.147 4.130 4.350 -0.122 0.000 0.268 76 T C 1.829 176.382 174.700 -0.245 0.000 1.037 76 T CA 1.232 63.198 62.100 -0.224 0.000 1.144 76 T CB -0.356 68.333 68.868 -0.298 0.000 0.864 76 T HN 0.594 nan 8.240 nan 0.000 0.444 77 H N 0.533 119.555 119.070 -0.080 0.000 2.428 77 H HA 0.265 4.749 4.556 -0.119 0.000 0.296 77 H C 2.541 178.038 175.328 0.283 0.000 1.062 77 H CA 1.043 57.049 56.048 -0.071 0.000 1.350 77 H CB -0.406 28.996 29.762 -0.600 0.000 1.403 77 H HN 0.390 nan 8.280 nan 0.000 0.533 78 A N 1.319 124.436 122.820 0.496 0.000 1.930 78 A HA -0.169 4.078 4.320 -0.122 0.000 0.217 78 A C 2.741 180.399 177.584 0.123 0.000 1.175 78 A CA 1.946 54.178 52.037 0.325 0.000 0.627 78 A CB -0.723 18.411 19.000 0.224 0.000 0.815 78 A HN 0.484 nan 8.150 nan 0.000 0.443 79 R N -0.676 119.842 120.500 0.030 0.000 2.096 79 R HA -0.081 4.186 4.340 -0.122 0.000 0.235 79 R C 2.231 178.493 176.300 -0.063 0.000 1.127 79 R CA 2.358 58.417 56.100 -0.069 0.000 0.968 79 R CB -2.128 28.054 30.300 -0.196 0.000 0.861 79 R HN 0.573 nan 8.270 nan 0.000 0.440 80 T N 0.422 114.957 114.554 -0.031 0.000 2.737 80 T HA -0.115 4.162 4.350 -0.122 0.000 0.265 80 T C 2.185 176.954 174.700 0.115 0.000 1.038 80 T CA 1.539 63.669 62.100 0.049 0.000 1.144 80 T CB -0.362 68.593 68.868 0.144 0.000 0.866 80 T HN 0.205 nan 8.240 nan 0.000 0.434 81 V N 2.271 122.286 119.914 0.168 0.000 2.282 81 V HA -0.270 3.777 4.120 -0.122 0.000 0.249 81 V C 2.781 178.921 176.094 0.076 0.000 1.057 81 V CA 2.094 64.481 62.300 0.146 0.000 1.032 81 V CB -0.845 31.071 31.823 0.156 0.000 0.645 81 V HN 0.553 nan 8.190 nan 0.000 0.447 82 Q N 0.444 120.273 119.800 0.049 0.000 2.061 82 Q HA -0.288 3.979 4.340 -0.122 0.000 0.204 82 Q C 2.072 178.088 176.000 0.027 0.000 0.984 82 Q CA 2.281 58.098 55.803 0.022 0.000 0.846 82 Q CB -0.340 28.400 28.738 0.003 0.000 0.902 82 Q HN 0.667 nan 8.270 nan 0.000 0.421 83 N N 0.851 119.569 118.700 0.030 0.000 2.149 83 N HA -0.132 4.535 4.740 -0.122 0.000 0.188 83 N C 1.914 177.460 175.510 0.061 0.000 1.019 83 N CA 1.284 54.360 53.050 0.042 0.000 0.857 83 N CB -0.293 38.224 38.487 0.050 0.000 0.997 83 N HN 0.343 nan 8.380 nan 0.000 0.426 84 I N 1.605 122.220 120.570 0.074 0.000 2.142 84 I HA -0.215 3.882 4.170 -0.122 0.000 0.240 84 I C 2.159 178.311 176.117 0.058 0.000 1.078 84 I CA 1.159 62.506 61.300 0.078 0.000 1.343 84 I CB -1.356 36.702 38.000 0.096 0.000 1.046 84 I HN 0.193 nan 8.210 nan 0.000 0.405 85 Q N 0.708 120.536 119.800 0.047 0.000 2.112 85 Q HA -0.241 4.026 4.340 -0.122 0.000 0.206 85 Q C 2.393 178.409 176.000 0.026 0.000 0.987 85 Q CA 2.545 58.366 55.803 0.031 0.000 0.858 85 Q CB -0.400 28.350 28.738 0.020 0.000 0.905 85 Q HN 0.727 nan 8.270 nan 0.000 0.420 86 E N 0.810 121.026 120.200 0.027 0.000 2.072 86 E HA -0.087 4.190 4.350 -0.122 0.000 0.191 86 E C 1.953 178.570 176.600 0.029 0.000 0.985 86 E CA 1.237 57.652 56.400 0.024 0.000 0.801 86 E CB -0.808 28.905 29.700 0.022 0.000 0.750 86 E HN 0.504 nan 8.360 nan 0.000 0.452 87 A N -0.005 122.838 122.820 0.039 0.000 1.930 87 A HA 0.021 4.268 4.320 -0.122 0.000 0.217 87 A C 2.464 180.071 177.584 0.038 0.000 1.175 87 A CA 1.785 53.848 52.037 0.043 0.000 0.627 87 A CB -0.322 18.711 19.000 0.056 0.000 0.815 87 A HN 0.500 nan 8.150 nan 0.000 0.443 88 M N -0.924 118.698 119.600 0.037 0.000 2.394 88 M HA -0.084 4.323 4.480 -0.122 0.000 0.264 88 M C 1.846 178.159 176.300 0.022 0.000 1.073 88 M CA 1.152 56.470 55.300 0.031 0.000 1.111 88 M CB -0.121 32.498 32.600 0.031 0.000 1.401 88 M HN 0.311 nan 8.290 nan 0.000 0.448 89 K N -0.004 120.408 120.400 0.019 0.000 2.211 89 K HA -0.128 4.119 4.320 -0.122 0.000 0.203 89 K C 1.779 178.387 176.600 0.014 0.000 1.050 89 K CA 0.996 57.291 56.287 0.014 0.000 0.945 89 K CB -0.001 32.506 32.500 0.012 0.000 0.732 89 K HN 0.476 nan 8.250 nan 0.000 0.451 90 Q N -0.078 119.733 119.800 0.018 0.000 2.398 90 Q HA 0.048 4.315 4.340 -0.122 0.000 0.204 90 Q C 0.036 176.047 176.000 0.018 0.000 0.932 90 Q CA 0.503 56.317 55.803 0.018 0.000 0.916 90 Q CB 0.585 29.337 28.738 0.023 0.000 1.024 90 Q HN 0.016 nan 8.270 nan 0.000 0.504 91 R N 1.159 121.671 120.500 0.020 0.000 2.585 91 R HA 0.339 4.606 4.340 -0.122 0.000 0.278 91 R C -2.701 173.608 176.300 0.016 0.000 1.663 91 R CA -1.470 54.641 56.100 0.018 0.000 1.592 91 R CB 1.043 31.358 30.300 0.025 0.000 1.200 91 R HN 0.105 nan 8.270 nan 0.000 0.611 95 R N 2.598 123.117 120.500 0.032 0.000 2.513 95 R HA 0.370 4.637 4.340 -0.122 0.000 0.283 95 R C -1.108 175.224 176.300 0.054 0.000 1.535 95 R CA -0.512 55.608 56.100 0.034 0.000 1.315 95 R CB 1.134 31.446 30.300 0.020 0.000 1.163 95 R HN 0.688 nan 8.270 nan 0.000 0.573 96 L N 2.415 123.677 121.223 0.064 0.000 2.410 96 L HA 0.230 4.497 4.340 -0.122 0.000 0.273 96 L C 0.869 177.803 176.870 0.106 0.000 1.144 96 L CA -0.112 54.780 54.840 0.087 0.000 0.863 96 L CB 0.815 42.927 42.059 0.088 0.000 1.140 96 L HN 0.508 nan 8.230 nan 0.000 0.463 97 A N 5.836 128.746 122.820 0.150 0.000 2.388 97 A HA 0.579 4.826 4.320 -0.122 0.000 0.257 97 A C -0.239 177.474 177.584 0.215 0.000 1.095 97 A CA -0.268 51.900 52.037 0.218 0.000 0.791 97 A CB 0.139 19.375 19.000 0.394 0.000 1.029 97 A HN 0.670 nan 8.150 nan 0.000 0.489 98 I N 2.279 122.978 120.570 0.217 0.000 2.362 98 I HA 0.341 4.439 4.170 -0.122 0.000 0.289 98 I C -0.460 175.813 176.117 0.260 0.000 0.994 98 I CA -0.260 61.165 61.300 0.208 0.000 1.158 98 I CB 1.542 39.647 38.000 0.175 0.000 1.315 98 I HN 0.629 nan 8.210 nan 0.000 0.451 99 L N 7.562 128.930 121.223 0.242 0.000 2.313 99 L HA 0.561 4.828 4.340 -0.122 0.000 0.283 99 L C -1.096 175.870 176.870 0.160 0.000 1.013 99 L CA -0.603 54.379 54.840 0.237 0.000 0.816 99 L CB 1.583 43.743 42.059 0.168 0.000 1.236 99 L HN 0.574 nan 8.230 nan 0.000 0.419 100 L N 5.007 126.299 121.223 0.114 0.000 2.260 100 L HA 0.378 4.645 4.340 -0.122 0.000 0.289 100 L C -0.765 176.111 176.870 0.010 0.000 1.057 100 L CA -0.272 54.583 54.840 0.024 0.000 0.811 100 L CB 0.737 42.709 42.059 -0.144 0.000 1.184 100 L HN 0.622 nan 8.230 nan 0.000 0.429 101 D N 3.900 124.338 120.400 0.063 0.000 2.359 101 D HA 0.153 4.720 4.640 -0.122 0.000 0.230 101 D C 0.009 176.342 176.300 0.055 0.000 1.118 101 D CA -0.176 53.859 54.000 0.058 0.000 0.844 101 D CB 1.247 42.094 40.800 0.079 0.000 1.059 101 D HN 0.620 nan 8.370 nan 0.000 0.493 102 T N 0.808 115.366 114.554 0.006 0.000 2.855 102 T HA 0.035 4.312 4.350 -0.122 0.000 0.314 102 T C 1.275 176.002 174.700 0.047 0.000 1.077 102 T CA -0.315 61.787 62.100 0.004 0.000 1.095 102 T CB 1.670 70.535 68.868 -0.005 0.000 0.987 102 T HN 0.388 nan 8.240 nan 0.000 0.546 103 K N 1.710 122.142 120.400 0.054 0.000 2.031 103 K HA 0.146 4.393 4.320 -0.122 0.000 0.205 103 K C 1.360 177.960 176.600 0.000 0.000 1.049 103 K CA 1.064 57.364 56.287 0.022 0.000 0.939 103 K CB -1.091 31.429 32.500 0.033 0.000 0.717 103 K HN 1.112 nan 8.250 nan 0.000 0.438 104 G N 1.093 109.901 108.800 0.012 0.000 2.697 104 G HA2 -0.246 3.642 3.960 -0.122 0.000 0.240 104 G HA3 -0.246 3.642 3.960 -0.122 0.000 0.240 104 G C -2.564 172.295 174.900 -0.070 0.000 1.346 104 G CA -0.198 44.903 45.100 0.001 0.000 0.887 104 G HN 0.316 nan 8.290 nan 0.000 0.569 105 P HA 0.436 nan 4.420 nan 0.000 0.279 105 P C -0.579 176.508 177.300 -0.354 0.000 1.239 105 P CA 0.216 63.169 63.100 -0.245 0.000 0.789 105 P CB 1.291 32.805 31.700 -0.311 0.000 0.933 106 E N 1.592 121.627 120.200 -0.276 0.000 2.314 106 E HA 0.515 4.792 4.350 -0.122 0.000 0.272 106 E C -0.687 175.776 176.600 -0.229 0.000 0.884 106 E CA -0.738 55.512 56.400 -0.251 0.000 0.753 106 E CB 2.018 31.627 29.700 -0.153 0.000 1.213 106 E HN 0.385 nan 8.360 nan 0.000 0.432 107 I N 2.259 122.699 120.570 -0.217 0.000 2.404 107 I HA 0.505 4.602 4.170 -0.122 0.000 0.293 107 I C -0.355 175.718 176.117 -0.074 0.000 0.992 107 I CA -0.688 60.523 61.300 -0.147 0.000 1.149 107 I CB 1.517 39.417 38.000 -0.167 0.000 1.315 107 I HN 0.216 nan 8.210 nan 0.000 0.446 108 R N 2.705 123.185 120.500 -0.035 0.000 2.673 108 R HA 0.448 4.715 4.340 -0.122 0.000 0.281 108 R C -0.571 175.813 176.300 0.139 0.000 0.991 108 R CA -0.552 55.565 56.100 0.029 0.000 0.896 108 R CB 1.953 32.270 30.300 0.027 0.000 1.201 108 R HN 0.769 nan 8.270 nan 0.000 0.457 109 T N -0.444 114.176 114.554 0.111 0.000 2.856 109 T HA 0.439 4.716 4.350 -0.122 0.000 0.306 109 T C 0.855 175.620 174.700 0.109 0.000 1.062 109 T CA -0.228 61.945 62.100 0.122 0.000 1.083 109 T CB 1.069 69.961 68.868 0.040 0.000 0.984 109 T HN 0.545 nan 8.240 nan 0.000 0.542 110 G N 0.197 108.986 108.800 -0.018 0.000 2.494 110 G HA2 0.511 4.398 3.960 -0.122 0.000 0.270 110 G HA3 0.511 4.398 3.960 -0.122 0.000 0.270 110 G C -0.551 174.137 174.900 -0.353 0.000 1.423 110 G CA -1.140 43.713 45.100 -0.411 0.000 1.055 110 G HN 0.649 nan 8.290 nan 0.000 0.536 111 F N -1.028 118.774 119.950 -0.245 0.000 2.378 111 F HA 0.554 5.009 4.527 -0.121 0.000 0.319 111 F C 0.711 176.449 175.800 -0.104 0.000 1.155 111 F CA -0.151 57.778 58.000 -0.118 0.000 1.157 111 F CB 0.943 39.874 39.000 -0.115 0.000 1.252 111 F HN -0.023 nan 8.300 nan 0.000 0.550 112 L N 0.679 121.973 121.223 0.117 0.000 2.333 112 L HA 0.379 4.646 4.340 -0.122 0.000 0.263 112 L C -0.248 176.590 176.870 -0.053 0.000 1.014 112 L CA -1.328 53.525 54.840 0.022 0.000 0.820 112 L CB 1.918 43.995 42.059 0.030 0.000 1.352 112 L HN 0.459 nan 8.230 nan 0.000 0.421 113 K N 1.797 122.166 120.400 -0.052 0.000 2.466 113 K HA -0.104 4.143 4.320 -0.122 0.000 0.278 113 K C -0.230 176.322 176.600 -0.079 0.000 1.048 113 K CA 0.583 56.825 56.287 -0.075 0.000 1.088 113 K CB 0.076 32.550 32.500 -0.042 0.000 0.884 113 K HN 0.618 nan 8.250 nan 0.000 0.478 114 D N 3.563 123.886 120.400 -0.129 0.000 2.983 114 D HA -0.236 4.331 4.640 -0.122 0.000 0.225 114 D C -0.279 176.028 176.300 0.012 0.000 1.174 114 D CA 1.188 55.143 54.000 -0.076 0.000 0.831 114 D CB -0.944 39.847 40.800 -0.014 0.000 1.104 114 D HN 0.858 nan 8.370 nan 0.000 0.421 115 H N -4.371 114.725 119.070 0.042 0.000 3.010 115 H HA -0.208 4.275 4.556 -0.122 0.000 0.272 115 H C 0.931 176.284 175.328 0.041 0.000 1.151 115 H CA 1.837 57.922 56.048 0.063 0.000 1.159 115 H CB -2.106 27.696 29.762 0.066 0.000 1.295 115 H HN 0.695 nan 8.280 nan 0.000 0.344 116 K N 1.268 121.726 120.400 0.097 0.000 2.156 116 K HA 0.518 4.765 4.320 -0.122 0.000 0.271 116 K C -2.404 174.223 176.600 0.045 0.000 0.995 116 K CA -1.497 54.828 56.287 0.064 0.000 0.890 116 K CB 0.500 33.023 32.500 0.039 0.000 1.073 116 K HN -0.073 nan 8.250 nan 0.000 0.454 117 P HA 0.174 nan 4.420 nan 0.000 0.268 117 P C -0.287 177.023 177.300 0.018 0.000 1.208 117 P CA -0.164 62.951 63.100 0.025 0.000 0.777 117 P CB 0.172 31.884 31.700 0.020 0.000 0.875 118 I N -1.858 118.720 120.570 0.014 0.000 2.562 118 I HA 0.695 4.792 4.170 -0.122 0.000 0.301 118 I C -0.051 176.072 176.117 0.010 0.000 1.003 118 I CA -0.798 60.508 61.300 0.010 0.000 1.127 118 I CB 2.238 40.243 38.000 0.008 0.000 1.304 118 I HN 0.228 nan 8.210 nan 0.000 0.446 119 T N 4.000 118.559 114.554 0.008 0.000 2.855 119 T HA 0.729 5.006 4.350 -0.122 0.000 0.281 119 T C -0.773 173.932 174.700 0.008 0.000 1.007 119 T CA -0.607 61.498 62.100 0.008 0.000 1.009 119 T CB 1.421 70.293 68.868 0.007 0.000 0.983 119 T HN 0.540 nan 8.240 nan 0.000 0.455 120 L N 2.702 123.930 121.223 0.009 0.000 2.329 120 L HA 0.577 4.844 4.340 -0.122 0.000 0.279 120 L C 0.082 176.957 176.870 0.008 0.000 1.014 120 L CA -0.715 54.131 54.840 0.009 0.000 0.814 120 L CB 2.070 44.136 42.059 0.012 0.000 1.257 120 L HN 0.652 nan 8.230 nan 0.000 0.424 121 Q N 1.652 121.457 119.800 0.008 0.000 2.235 121 Q HA 0.251 4.518 4.340 -0.122 0.000 0.250 121 Q C -0.590 175.415 176.000 0.008 0.000 0.909 121 Q CA -0.174 55.633 55.803 0.007 0.000 0.910 121 Q CB 1.218 29.959 28.738 0.005 0.000 1.223 121 Q HN 0.456 nan 8.270 nan 0.000 0.432 122 Q N 1.268 121.073 119.800 0.008 0.000 2.283 122 Q HA 0.172 4.439 4.340 -0.122 0.000 0.301 122 Q C 0.440 176.445 176.000 0.008 0.000 1.063 122 Q CA 1.341 57.149 55.803 0.008 0.000 0.952 122 Q CB -0.054 28.689 28.738 0.007 0.000 1.166 122 Q HN 0.933 nan 8.270 nan 0.000 0.381 123 G N 2.135 110.941 108.800 0.010 0.000 2.241 123 G HA2 -0.313 3.574 3.960 -0.122 0.000 0.244 123 G HA3 -0.313 3.574 3.960 -0.122 0.000 0.244 123 G C 0.199 175.105 174.900 0.010 0.000 0.998 123 G CA -0.014 45.092 45.100 0.010 0.000 0.621 123 G HN 1.001 nan 8.290 nan 0.000 0.519 124 A N 0.400 123.226 122.820 0.010 0.000 2.425 124 A HA 0.613 4.860 4.320 -0.122 0.000 0.242 124 A C 0.757 178.349 177.584 0.013 0.000 1.077 124 A CA 1.344 53.387 52.037 0.010 0.000 0.781 124 A CB 0.235 19.240 19.000 0.008 0.000 1.020 124 A HN 0.824 nan 8.150 nan 0.000 0.494 125 T N 1.510 116.071 114.554 0.012 0.000 2.856 125 T HA 0.468 4.745 4.350 -0.122 0.000 0.292 125 T C -0.525 174.184 174.700 0.016 0.000 0.980 125 T CA 0.120 62.229 62.100 0.015 0.000 1.091 125 T CB 0.597 69.472 68.868 0.012 0.000 0.936 125 T HN 0.572 nan 8.240 nan 0.000 0.503 126 L N 3.393 124.631 121.223 0.024 0.000 2.404 126 L HA 0.499 4.766 4.340 -0.122 0.000 0.272 126 L C -0.347 176.547 176.870 0.041 0.000 0.980 126 L CA -0.585 54.271 54.840 0.027 0.000 0.836 126 L CB 1.370 43.446 42.059 0.029 0.000 1.238 126 L HN 0.450 nan 8.230 nan 0.000 0.408 127 K N 5.444 125.865 120.400 0.035 0.000 2.249 127 K HA 0.523 4.770 4.320 -0.122 0.000 0.280 127 K C -1.149 175.492 176.600 0.068 0.000 1.033 127 K CA -0.363 55.957 56.287 0.055 0.000 0.946 127 K CB 0.649 33.153 32.500 0.006 0.000 1.005 127 K HN 0.711 nan 8.250 nan 0.000 0.469 128 I N 5.533 126.165 120.570 0.105 0.000 2.418 128 I HA 0.187 4.284 4.170 -0.122 0.000 0.287 128 I C -0.148 176.047 176.117 0.130 0.000 1.008 128 I CA -1.116 60.245 61.300 0.102 0.000 1.104 128 I CB 1.722 39.778 38.000 0.093 0.000 1.264 128 I HN 0.373 nan 8.210 nan 0.000 0.438 129 V N 1.693 121.678 119.914 0.119 0.000 2.975 129 V HA 0.491 4.538 4.120 -0.122 0.000 0.318 129 V C 0.603 176.770 176.094 0.121 0.000 1.077 129 V CA -0.234 62.143 62.300 0.129 0.000 1.000 129 V CB 1.527 33.413 31.823 0.106 0.000 1.066 129 V HN 0.737 nan 8.190 nan 0.000 0.452 130 T N 0.684 115.299 114.554 0.101 0.000 2.978 130 T HA -0.002 4.275 4.350 -0.122 0.000 0.262 130 T C 0.638 175.408 174.700 0.116 0.000 1.063 130 T CA 1.426 63.572 62.100 0.077 0.000 1.140 130 T CB -0.369 68.513 68.868 0.024 0.000 0.886 130 T HN 0.970 nan 8.240 nan 0.000 0.470 131 D N 0.777 121.245 120.400 0.113 0.000 2.346 131 D HA -0.040 4.527 4.640 -0.122 0.000 0.267 131 D C 0.270 176.674 176.300 0.174 0.000 1.320 131 D CA -0.139 53.933 54.000 0.120 0.000 0.951 131 D CB -0.027 40.820 40.800 0.078 0.000 1.079 131 D HN 0.202 nan 8.370 nan 0.000 0.509 132 Y N 3.614 123.950 120.300 0.060 0.000 2.616 132 Y HA 0.013 4.491 4.550 -0.121 0.000 0.296 132 Y C 1.252 177.226 175.900 0.123 0.000 1.154 132 Y CA 0.585 58.739 58.100 0.090 0.000 1.325 132 Y CB 0.061 38.575 38.460 0.089 0.000 1.007 132 Y HN 0.422 nan 8.280 nan 0.000 0.542 133 N N 0.279 119.038 118.700 0.098 0.000 2.463 133 N HA -0.039 4.628 4.740 -0.122 0.000 0.181 133 N C 0.153 175.653 175.510 -0.017 0.000 1.078 133 N CA 0.246 53.310 53.050 0.023 0.000 0.902 133 N CB -0.107 38.398 38.487 0.030 0.000 0.970 133 N HN 0.303 nan 8.380 nan 0.000 0.451 134 L N 1.778 122.999 121.223 -0.004 0.000 2.418 134 L HA 0.197 4.464 4.340 -0.122 0.000 0.274 134 L C -0.237 176.619 176.870 -0.024 0.000 1.135 134 L CA -0.095 54.738 54.840 -0.012 0.000 0.870 134 L CB 0.308 42.372 42.059 0.008 0.000 1.154 134 L HN -0.049 nan 8.230 nan 0.000 0.462 135 I N 6.129 126.679 120.570 -0.033 0.000 2.363 135 I HA 0.197 4.294 4.170 -0.122 0.000 0.292 135 I C 1.208 177.311 176.117 -0.024 0.000 1.075 135 I CA -0.048 61.232 61.300 -0.032 0.000 1.333 135 I CB 0.411 38.365 38.000 -0.077 0.000 1.415 135 I HN 0.721 nan 8.210 nan 0.000 0.502 136 G N 4.546 113.339 108.800 -0.011 0.000 2.569 136 G HA2 0.261 4.148 3.960 -0.122 0.000 0.249 136 G HA3 0.261 4.148 3.960 -0.122 0.000 0.249 136 G C -0.625 174.268 174.900 -0.011 0.000 1.216 136 G CA -0.260 44.836 45.100 -0.008 0.000 0.845 136 G HN 0.508 nan 8.290 nan 0.000 0.568 137 D N -1.015 119.380 120.400 -0.008 0.000 2.616 137 D HA 0.264 4.831 4.640 -0.122 0.000 0.260 137 D C 1.289 177.588 176.300 -0.002 0.000 1.158 137 D CA -0.622 53.373 54.000 -0.008 0.000 1.085 137 D CB 1.226 42.019 40.800 -0.011 0.000 1.222 137 D HN 0.459 nan 8.370 nan 0.000 0.626 138 E N -0.920 119.279 120.200 -0.002 0.000 2.409 138 E HA -0.085 4.192 4.350 -0.122 0.000 0.198 138 E C 1.336 177.938 176.600 0.002 0.000 1.024 138 E CA 0.945 57.346 56.400 0.002 0.000 0.861 138 E CB 0.162 29.863 29.700 0.001 0.000 0.788 138 E HN 0.480 nan 8.360 nan 0.000 0.521 139 T N -3.284 111.269 114.554 -0.002 0.000 3.040 139 T HA 0.017 4.295 4.350 -0.122 0.000 0.252 139 T C 0.895 175.594 174.700 -0.001 0.000 1.064 139 T CA 0.423 62.521 62.100 -0.004 0.000 1.110 139 T CB 0.749 69.610 68.868 -0.012 0.000 0.921 139 T HN -0.019 nan 8.240 nan 0.000 0.480 140 T N 1.258 115.812 114.554 0.000 0.000 3.105 140 T HA 0.616 4.893 4.350 -0.122 0.000 0.321 140 T C -1.258 173.449 174.700 0.012 0.000 1.135 140 T CA -1.014 61.089 62.100 0.006 0.000 1.053 140 T CB 1.087 69.951 68.868 -0.008 0.000 1.133 140 T HN 0.535 nan 8.240 nan 0.000 0.463 141 I N 1.822 122.408 120.570 0.027 0.000 3.042 141 I HA 0.999 5.097 4.170 -0.122 0.000 0.310 141 I C -0.150 175.998 176.117 0.052 0.000 1.117 141 I CA -1.585 59.732 61.300 0.029 0.000 1.003 141 I CB 1.839 39.857 38.000 0.029 0.000 1.228 141 I HN 0.724 nan 8.210 nan 0.000 0.443 142 A N 2.027 124.877 122.820 0.050 0.000 2.264 142 A HA 0.745 4.992 4.320 -0.122 0.000 0.304 142 A C -0.710 176.999 177.584 0.207 0.000 1.100 142 A CA -0.465 51.642 52.037 0.117 0.000 0.839 142 A CB 1.174 20.215 19.000 0.069 0.000 1.121 142 A HN 0.943 nan 8.150 nan 0.000 0.496 143 C N 0.532 120.007 119.300 0.292 0.000 2.547 143 C HA 0.583 4.970 4.460 -0.122 0.000 0.313 143 C C 1.708 176.824 174.990 0.209 0.000 1.191 143 C CA 0.145 59.320 59.018 0.262 0.000 1.474 143 C CB 0.979 28.814 27.740 0.158 0.000 2.081 143 C HN 1.191 nan 8.230 nan 0.000 0.476 144 S N 2.956 118.618 115.700 -0.064 0.000 2.453 144 S HA -0.092 4.305 4.470 -0.122 0.000 0.231 144 S C 0.528 175.046 174.600 -0.136 0.000 1.005 144 S CA 0.556 58.448 58.200 -0.514 0.000 0.949 144 S CB -0.427 62.352 63.200 -0.701 0.000 0.774 144 S HN 0.890 nan 8.310 nan 0.000 0.510 145 Y N 2.660 122.879 120.300 -0.136 0.000 2.585 145 Y HA 0.477 4.955 4.550 -0.119 0.000 0.354 145 Y C 1.474 177.343 175.900 -0.051 0.000 1.024 145 Y CA -0.689 57.355 58.100 -0.092 0.000 1.321 145 Y CB 0.067 38.485 38.460 -0.071 0.000 1.151 145 Y HN 0.185 nan 8.280 nan 0.000 0.525 146 G N 3.472 112.144 108.800 -0.214 0.000 2.448 146 G HA2 -0.257 3.630 3.960 -0.122 0.000 0.219 146 G HA3 -0.257 3.630 3.960 -0.122 0.000 0.219 146 G C 1.300 175.953 174.900 -0.411 0.000 1.127 146 G CA 0.653 45.610 45.100 -0.240 0.000 0.766 146 G HN 0.728 nan 8.290 nan 0.000 0.552 147 A N -0.052 122.279 122.820 -0.814 0.000 2.278 147 A HA 0.428 4.675 4.320 -0.122 0.000 0.212 147 A C 1.994 179.116 177.584 -0.771 0.000 1.213 147 A CA 0.388 51.986 52.037 -0.732 0.000 0.840 147 A CB -0.138 18.538 19.000 -0.539 0.000 0.866 147 A HN 0.323 nan 8.150 nan 0.000 0.489 148 L N 1.062 121.786 121.223 -0.831 0.000 1.991 148 L HA -0.144 4.124 4.340 -0.122 0.000 0.221 148 L C -0.943 175.860 176.870 -0.112 0.000 1.079 148 L CA 2.890 57.590 54.840 -0.234 0.000 0.778 148 L CB -1.060 40.983 42.059 -0.026 0.000 0.893 148 L HN 0.214 nan 8.230 nan 0.000 0.437 149 P HA -0.089 nan 4.420 nan 0.000 0.230 149 P C 0.883 178.118 177.300 -0.108 0.000 1.158 149 P CA 1.014 64.040 63.100 -0.123 0.000 0.769 149 P CB 0.061 31.660 31.700 -0.167 0.000 0.807 150 Q N -1.839 117.892 119.800 -0.115 0.000 2.282 150 Q HA 0.202 4.469 4.340 -0.122 0.000 0.206 150 Q C 1.499 177.480 176.000 -0.032 0.000 0.878 150 Q CA 0.435 56.191 55.803 -0.078 0.000 0.944 150 Q CB 0.058 28.743 28.738 -0.089 0.000 1.100 150 Q HN 0.094 nan 8.270 nan 0.000 0.509 151 S N -1.489 114.208 115.700 -0.004 0.000 2.641 151 S HA 0.199 4.596 4.470 -0.122 0.000 0.239 151 S C 0.515 175.154 174.600 0.066 0.000 1.081 151 S CA -0.262 57.985 58.200 0.078 0.000 0.904 151 S CB 0.719 64.058 63.200 0.232 0.000 0.803 151 S HN 0.063 nan 8.310 nan 0.000 0.510 152 V N 3.338 123.284 119.914 0.052 0.000 2.539 152 V HA 0.447 4.494 4.120 -0.122 0.000 0.292 152 V C -0.528 175.573 176.094 0.012 0.000 1.045 152 V CA -0.164 62.161 62.300 0.042 0.000 0.945 152 V CB 1.568 33.425 31.823 0.056 0.000 0.993 152 V HN 0.183 nan 8.190 nan 0.000 0.464 153 K N 4.346 124.753 120.400 0.013 0.000 2.400 153 K HA 0.539 4.786 4.320 -0.122 0.000 0.246 153 K C -2.824 173.780 176.600 0.007 0.000 0.995 153 K CA -2.268 54.020 56.287 0.002 0.000 0.840 153 K CB 1.593 34.095 32.500 0.002 0.000 1.293 153 K HN 0.251 nan 8.250 nan 0.000 0.445 154 P HA -0.011 nan 4.420 nan 0.000 0.264 154 P C 0.680 177.986 177.300 0.012 0.000 1.183 154 P CA 1.142 64.248 63.100 0.010 0.000 0.763 154 P CB 0.285 31.990 31.700 0.008 0.000 0.807 155 G N 2.153 110.962 108.800 0.015 0.000 2.254 155 G HA2 -0.226 3.661 3.960 -0.122 0.000 0.225 155 G HA3 -0.226 3.661 3.960 -0.122 0.000 0.225 155 G C 0.303 175.213 174.900 0.016 0.000 1.003 155 G CA -0.339 44.770 45.100 0.014 0.000 0.622 155 G HN 0.575 nan 8.290 nan 0.000 0.507 156 N N 1.027 119.739 118.700 0.019 0.000 2.508 156 N HA 0.482 5.149 4.740 -0.122 0.000 0.264 156 N C -0.131 175.395 175.510 0.026 0.000 1.216 156 N CA 0.881 53.945 53.050 0.023 0.000 0.943 156 N CB 0.589 39.093 38.487 0.028 0.000 1.113 156 N HN 0.171 nan 8.380 nan 0.000 0.447 157 T N 2.360 116.930 114.554 0.026 0.000 2.829 157 T HA 0.424 4.701 4.350 -0.122 0.000 0.282 157 T C -0.249 174.471 174.700 0.033 0.000 0.990 157 T CA -0.505 61.611 62.100 0.027 0.000 1.028 157 T CB 0.626 69.507 68.868 0.022 0.000 0.951 157 T HN 0.198 nan 8.240 nan 0.000 0.460 158 I N 3.652 124.243 120.570 0.036 0.000 2.404 158 I HA 0.415 4.512 4.170 -0.122 0.000 0.293 158 I C -0.604 175.533 176.117 0.033 0.000 0.992 158 I CA -1.138 60.185 61.300 0.039 0.000 1.149 158 I CB 1.159 39.188 38.000 0.048 0.000 1.315 158 I HN 0.380 nan 8.210 nan 0.000 0.446 159 L N 7.116 128.358 121.223 0.031 0.000 2.296 159 L HA 0.546 4.813 4.340 -0.122 0.000 0.286 159 L C -0.055 176.831 176.870 0.025 0.000 1.023 159 L CA -0.079 54.777 54.840 0.027 0.000 0.812 159 L CB 1.219 43.294 42.059 0.026 0.000 1.223 159 L HN 0.354 nan 8.230 nan 0.000 0.421 160 I N 2.951 123.535 120.570 0.023 0.000 2.509 160 I HA 0.590 4.687 4.170 -0.122 0.000 0.293 160 I C 0.417 176.544 176.117 0.017 0.000 1.020 160 I CA -1.190 60.123 61.300 0.022 0.000 1.088 160 I CB 1.797 39.812 38.000 0.024 0.000 1.267 160 I HN 0.723 nan 8.210 nan 0.000 0.430 161 A N 4.636 127.464 122.820 0.014 0.000 2.303 161 A HA -0.182 4.065 4.320 -0.122 0.000 0.286 161 A C 0.370 177.962 177.584 0.013 0.000 1.429 161 A CA 0.689 52.733 52.037 0.012 0.000 0.738 161 A CB -1.535 17.471 19.000 0.010 0.000 1.149 161 A HN 0.957 nan 8.150 nan 0.000 0.364 162 D N -1.918 118.491 120.400 0.015 0.000 2.772 162 D HA -0.171 4.396 4.640 -0.122 0.000 0.233 162 D C 1.422 177.732 176.300 0.016 0.000 1.143 162 D CA 2.694 56.704 54.000 0.017 0.000 0.700 162 D CB -1.560 39.249 40.800 0.015 0.000 1.076 162 D HN 2.463 nan 8.370 nan 0.000 0.430 163 G N -0.995 107.815 108.800 0.017 0.000 2.168 163 G HA2 -0.430 3.457 3.960 -0.122 0.000 0.257 163 G HA3 -0.430 3.457 3.960 -0.122 0.000 0.257 163 G C 1.361 176.269 174.900 0.014 0.000 0.997 163 G CA 1.037 46.147 45.100 0.016 0.000 0.708 163 G HN 0.497 nan 8.290 nan 0.000 0.520 164 S N -1.136 114.572 115.700 0.013 0.000 2.359 164 S HA 0.032 4.429 4.470 -0.122 0.000 0.224 164 S C 0.990 175.597 174.600 0.012 0.000 1.035 164 S CA 1.401 59.608 58.200 0.011 0.000 1.018 164 S CB 0.049 63.255 63.200 0.010 0.000 0.876 164 S HN 0.939 nan 8.310 nan 0.000 0.448 165 L N 0.930 122.162 121.223 0.014 0.000 2.341 165 L HA 0.620 4.887 4.340 -0.122 0.000 0.278 165 L C -0.493 176.388 176.870 0.018 0.000 1.005 165 L CA -0.186 54.663 54.840 0.016 0.000 0.818 165 L CB 1.997 44.066 42.059 0.017 0.000 1.259 165 L HN -0.051 nan 8.230 nan 0.000 0.418 166 S N 4.400 120.111 115.700 0.018 0.000 2.449 166 S HA 0.803 5.200 4.470 -0.122 0.000 0.310 166 S C -0.842 173.771 174.600 0.021 0.000 1.096 166 S CA -0.394 57.817 58.200 0.020 0.000 1.095 166 S CB 0.873 64.084 63.200 0.017 0.000 1.007 166 S HN 0.827 nan 8.310 nan 0.000 0.474 167 V N 2.815 122.744 119.914 0.025 0.000 2.769 167 V HA 0.719 4.766 4.120 -0.122 0.000 0.312 167 V C -0.669 175.442 176.094 0.028 0.000 1.061 167 V CA -0.990 61.326 62.300 0.027 0.000 0.931 167 V CB 1.706 33.548 31.823 0.032 0.000 1.010 167 V HN 0.855 nan 8.190 nan 0.000 0.433 168 K N 2.595 123.011 120.400 0.027 0.000 2.182 168 K HA 0.696 4.943 4.320 -0.122 0.000 0.262 168 K C -1.079 175.539 176.600 0.030 0.000 0.957 168 K CA -0.734 55.568 56.287 0.026 0.000 0.842 168 K CB 2.103 34.616 32.500 0.022 0.000 1.099 168 K HN 0.748 nan 8.250 nan 0.000 0.438 169 V N 4.811 124.744 119.914 0.031 0.000 2.508 169 V HA 0.019 4.066 4.120 -0.122 0.000 0.281 169 V C 0.948 177.059 176.094 0.029 0.000 1.041 169 V CA -0.112 62.208 62.300 0.033 0.000 1.016 169 V CB 1.239 33.080 31.823 0.029 0.000 0.984 169 V HN 0.700 nan 8.190 nan 0.000 0.478 170 V N 3.163 123.099 119.914 0.036 0.000 3.212 170 V HA 0.265 4.312 4.120 -0.122 0.000 0.244 170 V C 0.592 176.708 176.094 0.036 0.000 1.151 170 V CA 0.559 62.879 62.300 0.034 0.000 1.119 170 V CB 0.261 32.107 31.823 0.038 0.000 0.838 170 V HN 0.928 nan 8.190 nan 0.000 0.470 171 E N 0.431 120.659 120.200 0.046 0.000 2.352 171 E HA 0.517 4.794 4.350 -0.122 0.000 0.280 171 E C -1.816 174.786 176.600 0.003 0.000 0.930 171 E CA -0.426 56.001 56.400 0.044 0.000 0.765 171 E CB 2.907 32.667 29.700 0.100 0.000 1.219 171 E HN 0.077 nan 8.360 nan 0.000 0.434 172 V N 0.729 120.593 119.914 -0.082 0.000 2.540 172 V HA 0.947 4.994 4.120 -0.122 0.000 0.302 172 V C 0.127 175.972 176.094 -0.416 0.000 1.035 172 V CA -0.112 62.055 62.300 -0.222 0.000 0.873 172 V CB 1.171 32.909 31.823 -0.142 0.000 0.992 172 V HN 0.669 nan 8.190 nan 0.000 0.428 173 G N 2.429 110.674 108.800 -0.924 0.000 2.971 173 G HA2 0.521 4.408 3.960 -0.122 0.000 0.235 173 G HA3 0.521 4.408 3.960 -0.122 0.000 0.235 173 G C 0.840 175.426 174.900 -0.523 0.000 1.351 173 G CA 0.065 44.564 45.100 -1.000 0.000 1.039 173 G HN 1.276 nan 8.290 nan 0.000 0.563 174 S N -0.768 114.757 115.700 -0.292 0.000 2.395 174 S HA -0.056 4.341 4.470 -0.122 0.000 0.225 174 S C 1.032 175.571 174.600 -0.102 0.000 1.027 174 S CA 1.736 59.856 58.200 -0.134 0.000 0.965 174 S CB -0.000 63.174 63.200 -0.042 0.000 0.812 174 S HN 0.585 nan 8.310 nan 0.000 0.482 175 D N -0.336 120.042 120.400 -0.037 0.000 2.650 175 D HA 0.231 4.798 4.640 -0.122 0.000 0.265 175 D C -0.140 176.243 176.300 0.140 0.000 1.339 175 D CA -0.760 53.266 54.000 0.042 0.000 0.816 175 D CB -0.619 40.231 40.800 0.083 0.000 1.091 175 D HN 0.675 nan 8.370 nan 0.000 0.483 176 Y N -2.576 117.720 120.300 -0.006 0.000 2.656 176 Y HA 0.696 5.173 4.550 -0.122 0.000 0.334 176 Y C -2.140 173.762 175.900 0.003 0.000 1.179 176 Y CA -1.487 56.614 58.100 0.003 0.000 1.050 176 Y CB 1.074 39.538 38.460 0.007 0.000 1.308 176 Y HN -0.203 nan 8.280 nan 0.000 0.456 177 V N 3.997 124.019 119.914 0.180 0.000 2.709 177 V HA 0.463 4.510 4.120 -0.122 0.000 0.308 177 V C -0.750 175.481 176.094 0.229 0.000 1.062 177 V CA -0.799 61.566 62.300 0.109 0.000 0.901 177 V CB 1.922 33.775 31.823 0.051 0.000 1.003 177 V HN 0.635 nan 8.190 nan 0.000 0.425 178 I N 4.344 125.040 120.570 0.210 0.000 2.336 178 I HA 0.557 4.654 4.170 -0.122 0.000 0.292 178 I C 0.477 176.648 176.117 0.090 0.000 0.991 178 I CA 0.067 61.460 61.300 0.156 0.000 1.227 178 I CB 1.589 39.684 38.000 0.159 0.000 1.366 178 I HN 0.833 nan 8.210 nan 0.000 0.466 179 T N 2.977 117.573 114.554 0.069 0.000 2.907 179 T HA 0.598 4.875 4.350 -0.122 0.000 0.290 179 T C -0.738 173.985 174.700 0.039 0.000 1.066 179 T CA -0.836 61.295 62.100 0.050 0.000 1.012 179 T CB 2.658 71.555 68.868 0.048 0.000 1.184 179 T HN 0.589 nan 8.240 nan 0.000 0.522 180 Q N 0.615 120.434 119.800 0.032 0.000 2.321 180 Q HA 0.636 4.903 4.340 -0.122 0.000 0.270 180 Q C -0.807 175.207 176.000 0.022 0.000 1.032 180 Q CA -1.026 54.792 55.803 0.025 0.000 0.784 180 Q CB 1.703 30.454 28.738 0.022 0.000 1.264 180 Q HN 1.087 nan 8.270 nan 0.000 0.448 181 A N 3.505 126.337 122.820 0.020 0.000 2.492 181 A HA 0.080 4.327 4.320 -0.122 0.000 0.254 181 A C 0.361 177.954 177.584 0.015 0.000 1.091 181 A CA -0.056 51.992 52.037 0.018 0.000 0.768 181 A CB 0.405 19.414 19.000 0.016 0.000 1.028 181 A HN 0.862 nan 8.150 nan 0.000 0.498 182 Q N 1.059 120.869 119.800 0.015 0.000 2.360 182 Q HA 0.099 4.366 4.340 -0.122 0.000 0.202 182 Q C 0.034 176.041 176.000 0.011 0.000 0.915 182 Q CA 0.472 56.283 55.803 0.013 0.000 0.943 182 Q CB 0.036 28.782 28.738 0.014 0.000 1.064 182 Q HN 0.875 nan 8.270 nan 0.000 0.511 183 N N -0.739 117.968 118.700 0.011 0.000 2.555 183 N HA 0.105 4.772 4.740 -0.122 0.000 0.265 183 N C -1.400 174.116 175.510 0.010 0.000 1.135 183 N CA -0.038 53.018 53.050 0.010 0.000 0.925 183 N CB 1.579 40.073 38.487 0.011 0.000 1.662 183 N HN -0.264 nan 8.380 nan 0.000 0.489 184 T N 1.672 116.230 114.554 0.008 0.000 2.749 184 T HA 0.671 4.948 4.350 -0.122 0.000 0.295 184 T C -0.336 174.368 174.700 0.008 0.000 0.936 184 T CA -0.092 62.012 62.100 0.008 0.000 1.060 184 T CB 0.827 69.699 68.868 0.006 0.000 0.904 184 T HN 0.631 nan 8.240 nan 0.000 0.500 185 A N 2.605 125.430 122.820 0.008 0.000 2.612 185 A HA 0.744 4.991 4.320 -0.122 0.000 0.293 185 A C -0.351 177.238 177.584 0.009 0.000 1.075 185 A CA -0.831 51.211 52.037 0.009 0.000 0.680 185 A CB 1.810 20.816 19.000 0.010 0.000 1.279 185 A HN 0.600 nan 8.150 nan 0.000 0.411 186 T N 1.445 116.004 114.554 0.008 0.000 2.770 186 T HA 0.636 4.913 4.350 -0.122 0.000 0.283 186 T C -0.456 174.250 174.700 0.009 0.000 0.988 186 T CA -0.311 61.794 62.100 0.009 0.000 0.957 186 T CB -0.472 68.401 68.868 0.008 0.000 0.930 186 T HN 1.057 nan 8.240 nan 0.000 0.443 187 I N 2.409 122.985 120.570 0.010 0.000 2.603 187 I HA 0.919 5.016 4.170 -0.122 0.000 0.300 187 I C 0.599 176.722 176.117 0.009 0.000 1.017 187 I CA -1.121 60.184 61.300 0.009 0.000 1.098 187 I CB 1.846 39.852 38.000 0.010 0.000 1.279 187 I HN 0.646 nan 8.210 nan 0.000 0.437 188 G N 3.749 112.553 108.800 0.007 0.000 2.543 188 G HA2 0.424 4.311 3.960 -0.122 0.000 0.267 188 G HA3 0.424 4.311 3.960 -0.122 0.000 0.267 188 G C -0.624 174.275 174.900 -0.003 0.000 1.406 188 G CA -0.708 44.397 45.100 0.009 0.000 1.048 188 G HN 0.771 nan 8.290 nan 0.000 0.548 189 E N -0.495 119.700 120.200 -0.008 0.000 2.313 189 E HA 0.386 4.663 4.350 -0.122 0.000 0.272 189 E C -0.273 176.261 176.600 -0.110 0.000 1.038 189 E CA -0.398 55.964 56.400 -0.063 0.000 0.863 189 E CB 1.038 30.713 29.700 -0.041 0.000 1.060 189 E HN 0.372 nan 8.360 nan 0.000 0.402 190 R N 1.172 121.567 120.500 -0.175 0.000 3.251 190 R HA -0.159 4.108 4.340 -0.122 0.000 0.249 190 R C -0.666 175.607 176.300 -0.045 0.000 0.949 190 R CA 0.552 56.573 56.100 -0.131 0.000 0.645 190 R CB -1.032 29.140 30.300 -0.214 0.000 1.065 190 R HN 0.253 nan 8.270 nan 0.000 0.452 191 K N 1.375 121.762 120.400 -0.022 0.000 2.098 191 K HA 0.162 4.409 4.320 -0.122 0.000 0.261 191 K C 0.566 177.168 176.600 0.003 0.000 0.987 191 K CA -0.756 55.528 56.287 -0.004 0.000 0.916 191 K CB 0.573 33.074 32.500 0.000 0.000 1.039 191 K HN 0.237 nan 8.250 nan 0.000 0.455 192 N N 0.865 119.566 118.700 0.002 0.000 2.415 192 N HA 0.140 4.807 4.740 -0.122 0.000 0.248 192 N C -0.461 175.048 175.510 -0.001 0.000 1.271 192 N CA 0.195 53.240 53.050 -0.007 0.000 0.913 192 N CB 0.476 38.959 38.487 -0.007 0.000 1.129 192 N HN 0.377 nan 8.380 nan 0.000 0.444 193 M N 0.330 119.921 119.600 -0.014 0.000 2.446 193 M HA 0.346 4.753 4.480 -0.122 0.000 0.294 193 M C -1.329 174.964 176.300 -0.011 0.000 1.158 193 M CA -0.640 54.658 55.300 -0.002 0.000 0.899 193 M CB 2.131 34.737 32.600 0.010 0.000 1.687 193 M HN 0.534 nan 8.290 nan 0.000 0.455 194 N N 2.066 120.774 118.700 0.014 0.000 2.269 194 N HA 0.653 5.320 4.740 -0.122 0.000 0.304 194 N C -1.491 174.041 175.510 0.036 0.000 1.072 194 N CA -0.633 52.436 53.050 0.032 0.000 0.802 194 N CB 1.960 40.476 38.487 0.048 0.000 1.348 194 N HN 0.531 nan 8.380 nan 0.000 0.484 195 L N 2.175 123.425 121.223 0.046 0.000 2.435 195 L HA 0.462 4.729 4.340 -0.122 0.000 0.253 195 L C -2.348 174.552 176.870 0.049 0.000 1.087 195 L CA -1.837 53.032 54.840 0.048 0.000 0.950 195 L CB 0.574 42.662 42.059 0.048 0.000 1.304 195 L HN 0.239 nan 8.230 nan 0.000 0.453 196 P HA -0.033 nan 4.420 nan 0.000 0.261 196 P C 0.458 177.770 177.300 0.020 0.000 1.183 196 P CA 0.574 63.688 63.100 0.024 0.000 0.761 196 P CB 0.405 32.117 31.700 0.019 0.000 0.785 197 N N 1.222 119.927 118.700 0.010 0.000 2.800 197 N HA -0.137 4.530 4.740 -0.122 0.000 0.250 197 N C -1.169 174.352 175.510 0.017 0.000 1.078 197 N CA 0.826 53.879 53.050 0.005 0.000 0.804 197 N CB -1.266 37.224 38.487 0.004 0.000 1.135 197 N HN 0.146 nan 8.380 nan 0.000 0.565 198 V N 0.655 120.587 119.914 0.030 0.000 2.588 198 V HA 0.299 4.346 4.120 -0.122 0.000 0.304 198 V C 0.499 176.626 176.094 0.055 0.000 1.042 198 V CA -1.062 61.266 62.300 0.046 0.000 0.877 198 V CB 1.887 33.748 31.823 0.064 0.000 0.996 198 V HN 0.167 nan 8.190 nan 0.000 0.425 199 K N 3.399 123.832 120.400 0.056 0.000 2.368 199 K HA 0.385 4.632 4.320 -0.122 0.000 0.282 199 K C -0.672 175.978 176.600 0.082 0.000 1.035 199 K CA -0.330 55.997 56.287 0.066 0.000 0.973 199 K CB 1.063 33.595 32.500 0.052 0.000 0.957 199 K HN 0.494 nan 8.250 nan 0.000 0.474 200 V N 5.922 125.888 119.914 0.087 0.000 2.405 200 V HA 0.024 4.071 4.120 -0.122 0.000 0.264 200 V C 0.208 176.312 176.094 0.018 0.000 1.048 200 V CA -0.381 61.869 62.300 -0.084 0.000 0.966 200 V CB 1.012 32.713 31.823 -0.203 0.000 1.015 200 V HN 0.756 nan 8.190 nan 0.000 0.477 201 Q N 5.930 125.819 119.800 0.148 0.000 3.184 201 Q HA 0.390 4.657 4.340 -0.122 0.000 0.288 201 Q C -0.695 175.405 176.000 0.167 0.000 1.412 201 Q CA 0.257 56.163 55.803 0.172 0.000 0.991 201 Q CB 0.262 29.116 28.738 0.192 0.000 1.688 201 Q HN 0.627 nan 8.270 nan 0.000 0.554 202 L N 1.183 122.446 121.223 0.067 0.000 2.401 202 L HA 0.476 4.743 4.340 -0.122 0.000 0.266 202 L C -2.248 174.627 176.870 0.007 0.000 0.991 202 L CA -2.380 52.480 54.840 0.033 0.000 0.818 202 L CB 2.062 44.101 42.059 -0.033 0.000 1.321 202 L HN 0.074 nan 8.230 nan 0.000 0.413 203 P HA -0.023 nan 4.420 nan 0.000 0.261 203 P C 0.771 178.071 177.300 0.000 0.000 1.183 203 P CA -0.055 63.030 63.100 -0.025 0.000 0.761 203 P CB 0.718 32.395 31.700 -0.038 0.000 0.785 204 V N 4.304 124.233 119.914 0.025 0.000 2.427 204 V HA -0.111 3.936 4.120 -0.122 0.000 0.248 204 V C 1.215 177.354 176.094 0.075 0.000 1.051 204 V CA 1.450 63.793 62.300 0.072 0.000 1.048 204 V CB -0.293 31.593 31.823 0.105 0.000 0.666 204 V HN 0.471 nan 8.190 nan 0.000 0.456 205 I N 0.831 121.453 120.570 0.087 0.000 2.371 205 I HA 0.449 4.546 4.170 -0.122 0.000 0.282 205 I C 0.615 176.801 176.117 0.115 0.000 1.031 205 I CA 0.214 61.601 61.300 0.146 0.000 1.180 205 I CB 0.334 38.523 38.000 0.315 0.000 1.336 205 I HN 0.139 nan 8.210 nan 0.000 0.467 206 G N 4.492 113.340 108.800 0.081 0.000 2.537 206 G HA2 0.290 4.177 3.960 -0.122 0.000 0.297 206 G HA3 0.290 4.177 3.960 -0.122 0.000 0.297 206 G C 0.715 175.672 174.900 0.096 0.000 1.310 206 G CA -0.142 44.996 45.100 0.064 0.000 1.027 206 G HN 0.508 nan 8.290 nan 0.000 0.505 207 E N -0.404 119.844 120.200 0.079 0.000 2.160 207 E HA -0.157 4.120 4.350 -0.122 0.000 0.195 207 E C 2.248 178.915 176.600 0.111 0.000 0.991 207 E CA 1.230 57.684 56.400 0.090 0.000 0.810 207 E CB -0.030 29.705 29.700 0.058 0.000 0.742 207 E HN 0.584 nan 8.360 nan 0.000 0.466 208 K N 1.300 121.759 120.400 0.098 0.000 2.062 208 K HA -0.111 4.136 4.320 -0.122 0.000 0.205 208 K C 1.448 178.142 176.600 0.157 0.000 1.051 208 K CA 1.650 58.016 56.287 0.132 0.000 0.941 208 K CB -0.038 32.521 32.500 0.099 0.000 0.719 208 K HN -0.103 nan 8.250 nan 0.000 0.440 209 D N 0.807 121.271 120.400 0.106 0.000 2.144 209 D HA -0.148 4.419 4.640 -0.122 0.000 0.200 209 D C 1.649 177.984 176.300 0.058 0.000 0.978 209 D CA 0.965 55.004 54.000 0.066 0.000 0.833 209 D CB -0.075 40.760 40.800 0.060 0.000 0.961 209 D HN 0.374 nan 8.370 nan 0.000 0.470 210 K N 0.232 120.694 120.400 0.103 0.000 2.032 210 K HA -0.230 4.017 4.320 -0.122 0.000 0.209 210 K C 2.191 178.853 176.600 0.103 0.000 1.048 210 K CA 1.293 57.635 56.287 0.091 0.000 0.927 210 K CB -0.103 32.474 32.500 0.128 0.000 0.712 210 K HN 0.110 nan 8.250 nan 0.000 0.441 211 H N 1.004 120.114 119.070 0.067 0.000 2.353 211 H HA -0.102 4.382 4.556 -0.120 0.000 0.300 211 H C 1.504 176.938 175.328 0.176 0.000 1.090 211 H CA 2.204 58.316 56.048 0.106 0.000 1.327 211 H CB -0.080 29.738 29.762 0.093 0.000 1.383 211 H HN 0.310 nan 8.280 nan 0.000 0.508 212 D N 0.000 120.443 120.400 0.071 0.000 2.117 212 D HA -0.135 4.432 4.640 -0.122 0.000 0.197 212 D C 2.359 178.496 176.300 -0.272 0.000 0.987 212 D CA 1.539 55.449 54.000 -0.150 0.000 0.829 212 D CB -0.161 40.436 40.800 -0.338 0.000 0.961 212 D HN 0.490 nan 8.370 nan 0.000 0.460 213 I N 0.262 120.724 120.570 -0.179 0.000 2.286 213 I HA -0.164 3.933 4.170 -0.122 0.000 0.245 213 I C 2.366 178.422 176.117 -0.102 0.000 1.104 213 I CA 0.593 61.801 61.300 -0.155 0.000 1.397 213 I CB -0.014 37.910 38.000 -0.125 0.000 1.072 213 I HN -0.054 nan 8.210 nan 0.000 0.417 214 L N 0.045 121.225 121.223 -0.072 0.000 2.162 214 L HA -0.056 4.211 4.340 -0.122 0.000 0.205 214 L C 1.407 178.253 176.870 -0.040 0.000 1.086 214 L CA 1.492 56.305 54.840 -0.045 0.000 0.778 214 L CB -0.381 41.671 42.059 -0.012 0.000 0.928 214 L HN 0.286 nan 8.230 nan 0.000 0.446 215 N N -1.876 116.784 118.700 -0.068 0.000 2.220 215 N HA 0.053 4.720 4.740 -0.122 0.000 0.195 215 N C 1.021 176.553 175.510 0.035 0.000 1.123 215 N CA 0.082 53.108 53.050 -0.040 0.000 0.874 215 N CB 0.641 39.042 38.487 -0.143 0.000 0.995 215 N HN 0.139 nan 8.380 nan 0.000 0.498 216 F N -0.072 119.756 119.950 -0.203 0.000 2.463 216 F HA 0.369 4.821 4.527 -0.125 0.000 0.271 216 F C 2.185 177.872 175.800 -0.189 0.000 0.888 216 F CA 0.089 57.934 58.000 -0.259 0.000 1.149 216 F CB -0.385 38.263 39.000 -0.587 0.000 1.071 216 F HN -0.086 nan 8.300 nan 0.000 0.802 217 G N 1.893 110.738 108.800 0.074 0.000 2.514 217 G HA2 -0.276 3.611 3.960 -0.122 0.000 0.217 217 G HA3 -0.276 3.611 3.960 -0.122 0.000 0.217 217 G C 1.650 176.527 174.900 -0.039 0.000 1.198 217 G CA 1.699 46.809 45.100 0.016 0.000 0.780 217 G HN 0.424 nan 8.290 nan 0.000 0.565 218 I N 1.548 122.087 120.570 -0.051 0.000 2.142 218 I HA -0.097 4.000 4.170 -0.122 0.000 0.240 218 I C -0.050 176.065 176.117 -0.003 0.000 1.078 218 I CA 1.083 62.380 61.300 -0.006 0.000 1.343 218 I CB -0.900 37.100 38.000 -0.000 0.000 1.046 218 I HN 0.197 nan 8.210 nan 0.000 0.405 219 P HA -0.077 nan 4.420 nan 0.000 0.221 219 P C 1.480 178.675 177.300 -0.174 0.000 1.150 219 P CA 1.177 64.214 63.100 -0.106 0.000 0.800 219 P CB 0.042 31.674 31.700 -0.114 0.000 0.787 220 M N -2.053 117.369 119.600 -0.297 0.000 2.495 220 M HA 0.300 4.707 4.480 -0.122 0.000 0.237 220 M C 1.038 177.243 176.300 -0.158 0.000 1.131 220 M CA 0.638 55.710 55.300 -0.380 0.000 1.032 220 M CB -1.102 30.915 32.600 -0.972 0.000 1.513 220 M HN 0.123 nan 8.290 nan 0.000 0.488 221 G N 1.031 109.796 108.800 -0.060 0.000 2.149 221 G HA2 -0.207 3.680 3.960 -0.122 0.000 0.235 221 G HA3 -0.207 3.680 3.960 -0.122 0.000 0.235 221 G C 0.109 175.040 174.900 0.051 0.000 1.018 221 G CA -0.182 44.931 45.100 0.021 0.000 0.728 221 G HN 0.480 nan 8.290 nan 0.000 0.508 222 C N -0.297 119.035 119.300 0.053 0.000 2.676 222 C HA 0.371 4.759 4.460 -0.122 0.000 0.416 222 C C 1.808 176.797 174.990 -0.002 0.000 1.299 222 C CA 0.496 59.555 59.018 0.069 0.000 2.048 222 C CB 0.411 28.206 27.740 0.093 0.000 2.713 222 C HN 0.671 nan 8.230 nan 0.000 0.624 223 N N -0.294 118.403 118.700 -0.004 0.000 2.414 223 N HA 0.222 4.889 4.740 -0.122 0.000 0.177 223 N C -0.657 174.606 175.510 -0.413 0.000 1.062 223 N CA 0.489 53.426 53.050 -0.188 0.000 0.890 223 N CB 0.196 38.555 38.487 -0.213 0.000 1.070 223 N HN 0.575 nan 8.380 nan 0.000 0.454 224 F N 0.656 120.635 119.950 0.048 0.000 2.551 224 F HA 0.480 5.032 4.527 0.042 0.000 0.316 224 F C -0.538 175.249 175.800 -0.022 0.000 1.089 224 F CA -1.096 56.909 58.000 0.009 0.000 0.915 224 F CB 1.644 40.660 39.000 0.027 0.000 1.186 224 F HN -0.232 nan 8.300 nan 0.000 0.456 225 I N 2.766 123.415 120.570 0.131 0.000 2.330 225 I HA 0.375 4.472 4.170 -0.122 0.000 0.289 225 I C 0.064 176.225 176.117 0.073 0.000 1.001 225 I CA -0.788 60.544 61.300 0.052 0.000 1.193 225 I CB 0.868 38.853 38.000 -0.024 0.000 1.345 225 I HN 0.643 nan 8.210 nan 0.000 0.461 226 A N 6.056 128.912 122.820 0.060 0.000 2.343 226 A HA 0.665 4.912 4.320 -0.122 0.000 0.305 226 A C 0.486 178.088 177.584 0.031 0.000 1.308 226 A CA -0.469 51.593 52.037 0.041 0.000 0.949 226 A CB 0.125 19.145 19.000 0.033 0.000 1.148 226 A HN 0.806 nan 8.150 nan 0.000 0.545 227 A N 3.547 126.387 122.820 0.033 0.000 2.316 227 A HA 0.553 4.800 4.320 -0.122 0.000 0.311 227 A C 0.650 178.271 177.584 0.061 0.000 1.339 227 A CA -0.269 51.792 52.037 0.041 0.000 0.960 227 A CB -0.165 18.860 19.000 0.042 0.000 1.152 227 A HN 0.761 nan 8.150 nan 0.000 0.547 228 S N 1.286 117.031 115.700 0.076 0.000 2.549 228 S HA 0.277 4.674 4.470 -0.122 0.000 0.286 228 S C 0.243 174.965 174.600 0.203 0.000 1.314 228 S CA 0.321 58.592 58.200 0.119 0.000 1.062 228 S CB -0.411 62.853 63.200 0.106 0.000 0.865 228 S HN 1.128 nan 8.310 nan 0.000 0.498 229 F N 1.771 121.720 119.950 -0.002 0.000 3.071 229 F HA -0.196 4.258 4.527 -0.122 0.000 0.295 229 F C 0.011 175.809 175.800 -0.004 0.000 0.919 229 F CA -0.117 57.877 58.000 -0.010 0.000 1.050 229 F CB -1.464 37.520 39.000 -0.027 0.000 1.040 229 F HN 0.324 nan 8.300 nan 0.000 0.692 230 V N 1.926 121.844 119.914 0.006 0.000 2.529 230 V HA -0.034 4.013 4.120 -0.122 0.000 0.292 230 V C 1.113 177.162 176.094 -0.075 0.000 1.028 230 V CA 0.985 63.285 62.300 -0.000 0.000 1.074 230 V CB 1.494 33.323 31.823 0.010 0.000 0.958 230 V HN 0.495 nan 8.190 nan 0.000 0.481 231 Q N 2.322 122.101 119.800 -0.035 0.000 2.245 231 Q HA 0.267 4.534 4.340 -0.122 0.000 0.236 231 Q C 0.408 176.393 176.000 -0.025 0.000 0.842 231 Q CA 0.081 55.850 55.803 -0.057 0.000 0.945 231 Q CB 1.415 30.139 28.738 -0.024 0.000 1.122 231 Q HN 0.694 nan 8.270 nan 0.000 0.506 232 S N -1.452 114.242 115.700 -0.010 0.000 2.579 232 S HA 0.591 4.988 4.470 -0.122 0.000 0.272 232 S C -0.272 174.323 174.600 -0.008 0.000 1.141 232 S CA -0.117 58.078 58.200 -0.007 0.000 0.843 232 S CB 1.578 64.777 63.200 -0.001 0.000 1.122 232 S HN 0.142 nan 8.310 nan 0.000 0.468 233 A N 1.928 124.739 122.820 -0.015 0.000 2.066 233 A HA 0.069 4.316 4.320 -0.122 0.000 0.218 233 A C 1.301 178.887 177.584 0.004 0.000 1.157 233 A CA 1.636 53.661 52.037 -0.019 0.000 0.670 233 A CB -0.782 18.198 19.000 -0.033 0.000 0.804 233 A HN 0.818 nan 8.150 nan 0.000 0.453 234 D N 0.728 121.135 120.400 0.011 0.000 2.182 234 D HA -0.131 4.436 4.640 -0.122 0.000 0.201 234 D C 1.211 177.553 176.300 0.070 0.000 0.986 234 D CA 1.337 55.355 54.000 0.031 0.000 0.847 234 D CB -0.199 40.607 40.800 0.010 0.000 0.942 234 D HN 0.403 nan 8.370 nan 0.000 0.467 235 D N -0.168 120.267 120.400 0.058 0.000 2.097 235 D HA -0.107 4.461 4.640 -0.122 0.000 0.195 235 D C 2.281 178.654 176.300 0.122 0.000 0.989 235 D CA 0.645 54.707 54.000 0.103 0.000 0.827 235 D CB -0.325 40.516 40.800 0.068 0.000 0.966 235 D HN 0.134 nan 8.370 nan 0.000 0.456 236 V N 1.127 121.077 119.914 0.059 0.000 2.295 236 V HA -0.204 3.843 4.120 -0.122 0.000 0.246 236 V C 2.449 178.560 176.094 0.029 0.000 1.049 236 V CA 1.512 63.830 62.300 0.029 0.000 1.024 236 V CB -0.512 31.308 31.823 -0.007 0.000 0.648 236 V HN 0.100 nan 8.190 nan 0.000 0.447 237 R N -1.134 119.391 120.500 0.041 0.000 2.152 237 R HA -0.174 4.093 4.340 -0.122 0.000 0.232 237 R C 2.313 178.655 176.300 0.071 0.000 1.117 237 R CA 1.753 57.876 56.100 0.038 0.000 0.981 237 R CB -0.440 29.883 30.300 0.038 0.000 0.870 237 R HN 0.665 nan 8.270 nan 0.000 0.451 238 Y N 1.206 121.499 120.300 -0.012 0.000 2.220 238 Y HA -0.093 4.383 4.550 -0.123 0.000 0.291 238 Y C 1.836 177.730 175.900 -0.010 0.000 1.129 238 Y CA 1.149 59.245 58.100 -0.007 0.000 1.161 238 Y CB -0.141 38.318 38.460 -0.002 0.000 0.997 238 Y HN -0.118 nan 8.280 nan 0.000 0.522 239 I N -0.035 120.451 120.570 -0.141 0.000 2.315 239 I HA -0.253 3.844 4.170 -0.122 0.000 0.248 239 I C 2.662 178.666 176.117 -0.187 0.000 1.117 239 I CA 1.468 62.636 61.300 -0.219 0.000 1.404 239 I CB -0.414 37.541 38.000 -0.075 0.000 1.071 239 I HN 0.085 nan 8.210 nan 0.000 0.419 240 R N 1.046 121.479 120.500 -0.112 0.000 2.081 240 R HA -0.132 4.135 4.340 -0.122 0.000 0.235 240 R C 2.316 178.556 176.300 -0.100 0.000 1.131 240 R CA 1.651 57.696 56.100 -0.091 0.000 0.960 240 R CB -0.510 29.756 30.300 -0.056 0.000 0.856 240 R HN 0.412 nan 8.270 nan 0.000 0.436 241 G N 0.817 109.552 108.800 -0.108 0.000 2.422 241 G HA2 -0.232 3.655 3.960 -0.122 0.000 0.218 241 G HA3 -0.232 3.655 3.960 -0.122 0.000 0.218 241 G C 1.393 176.209 174.900 -0.140 0.000 1.140 241 G CA 0.540 45.584 45.100 -0.094 0.000 0.775 241 G HN 0.361 nan 8.290 nan 0.000 0.545 242 L N -0.164 120.908 121.223 -0.252 0.000 2.056 242 L HA 0.100 4.367 4.340 -0.122 0.000 0.207 242 L C 2.676 179.450 176.870 -0.160 0.000 1.078 242 L CA 0.990 55.669 54.840 -0.269 0.000 0.749 242 L CB -0.138 41.637 42.059 -0.473 0.000 0.901 242 L HN 0.183 nan 8.230 nan 0.000 0.433 243 L N -0.175 120.960 121.223 -0.146 0.000 2.056 243 L HA 0.034 4.301 4.340 -0.122 0.000 0.207 243 L C 1.810 178.638 176.870 -0.070 0.000 1.078 243 L CA 0.814 55.590 54.840 -0.107 0.000 0.749 243 L CB -1.237 40.751 42.059 -0.119 0.000 0.901 243 L HN 0.594 nan 8.230 nan 0.000 0.433 244 G N -0.017 108.743 108.800 -0.067 0.000 2.596 244 G HA2 -0.327 3.560 3.960 -0.122 0.000 0.295 244 G HA3 -0.327 3.560 3.960 -0.122 0.000 0.295 244 G C -1.725 173.163 174.900 -0.021 0.000 1.240 244 G CA 0.255 45.331 45.100 -0.041 0.000 0.985 244 G HN 0.225 nan 8.290 nan 0.000 0.555 245 P HA 0.100 nan 4.420 nan 0.000 0.219 245 P C 1.792 179.109 177.300 0.029 0.000 1.154 245 P CA 1.485 64.589 63.100 0.007 0.000 0.826 245 P CB -0.060 31.641 31.700 0.003 0.000 0.795 246 R N -0.049 120.466 120.500 0.025 0.000 2.148 246 R HA 0.028 4.295 4.340 -0.122 0.000 0.227 246 R C 1.714 178.088 176.300 0.123 0.000 1.103 246 R CA 1.395 57.527 56.100 0.053 0.000 0.983 246 R CB -0.673 29.643 30.300 0.027 0.000 0.874 246 R HN 0.173 nan 8.270 nan 0.000 0.451 247 G N -1.009 107.818 108.800 0.046 0.000 3.690 247 G HA2 0.021 3.908 3.960 -0.122 0.000 0.283 247 G HA3 0.021 3.908 3.960 -0.122 0.000 0.283 247 G C 0.789 175.628 174.900 -0.102 0.000 1.057 247 G CA -0.510 44.555 45.100 -0.059 0.000 0.821 247 G HN 0.161 nan 8.290 nan 0.000 0.526 248 R N 0.625 121.148 120.500 0.039 0.000 2.237 248 R HA -0.062 4.205 4.340 -0.122 0.000 0.219 248 R C 2.018 178.345 176.300 0.044 0.000 1.080 248 R CA 1.121 57.235 56.100 0.023 0.000 0.995 248 R CB -0.064 30.264 30.300 0.046 0.000 0.875 248 R HN 0.612 nan 8.270 nan 0.000 0.462 249 H N -1.425 117.639 119.070 -0.009 0.000 2.539 249 H HA 0.141 4.625 4.556 -0.120 0.000 0.267 249 H C 0.127 175.499 175.328 0.072 0.000 0.982 249 H CA -0.015 56.051 56.048 0.031 0.000 1.146 249 H CB -0.081 29.668 29.762 -0.021 0.000 1.382 249 H HN 0.105 nan 8.280 nan 0.000 0.577 250 I N 2.564 122.908 120.570 -0.377 0.000 2.412 250 I HA 0.295 4.392 4.170 -0.122 0.000 0.296 250 I C 0.045 176.010 176.117 -0.253 0.000 0.987 250 I CA -0.921 60.176 61.300 -0.339 0.000 1.180 250 I CB 1.491 39.252 38.000 -0.399 0.000 1.340 250 I HN -0.100 nan 8.210 nan 0.000 0.455 251 R N 5.885 126.195 120.500 -0.316 0.000 2.604 251 R HA 0.655 4.922 4.340 -0.122 0.000 0.287 251 R C -0.811 175.490 176.300 0.000 0.000 0.970 251 R CA -0.894 55.070 56.100 -0.227 0.000 0.946 251 R CB 1.717 31.790 30.300 -0.378 0.000 1.127 251 R HN 0.534 nan 8.270 nan 0.000 0.473 252 I N 3.381 123.962 120.570 0.018 0.000 2.362 252 I HA 0.313 4.410 4.170 -0.122 0.000 0.289 252 I C 0.047 176.200 176.117 0.060 0.000 0.994 252 I CA -0.527 60.796 61.300 0.038 0.000 1.158 252 I CB 1.345 39.339 38.000 -0.010 0.000 1.315 252 I HN 0.197 nan 8.210 nan 0.000 0.451 253 I N 7.803 128.416 120.570 0.070 0.000 2.412 253 I HA 0.339 4.436 4.170 -0.122 0.000 0.279 253 I C -2.437 173.695 176.117 0.024 0.000 1.063 253 I CA -2.392 58.928 61.300 0.035 0.000 1.193 253 I CB 0.434 38.437 38.000 0.004 0.000 1.370 253 I HN 0.153 nan 8.210 nan 0.000 0.479 254 P HA 0.100 nan 4.420 nan 0.000 0.267 254 P C -0.435 176.883 177.300 0.030 0.000 1.205 254 P CA 0.049 63.161 63.100 0.020 0.000 0.765 254 P CB 0.536 32.239 31.700 0.004 0.000 0.828 255 K N 3.385 123.804 120.400 0.031 0.000 2.183 255 K HA 0.444 4.691 4.320 -0.122 0.000 0.274 255 K C -0.320 176.283 176.600 0.006 0.000 1.009 255 K CA -0.679 55.625 56.287 0.028 0.000 0.888 255 K CB 0.886 33.408 32.500 0.036 0.000 1.078 255 K HN 0.319 nan 8.250 nan 0.000 0.459 256 I N 2.773 123.346 120.570 0.005 0.000 2.312 256 I HA 0.063 4.160 4.170 -0.122 0.000 0.290 256 I C 0.697 176.765 176.117 -0.082 0.000 1.008 256 I CA 0.325 61.605 61.300 -0.034 0.000 1.226 256 I CB 1.003 39.023 38.000 0.033 0.000 1.371 256 I HN 0.705 nan 8.210 nan 0.000 0.468 257 E N 4.298 124.396 120.200 -0.170 0.000 2.639 257 E HA 0.148 4.425 4.350 -0.122 0.000 0.225 257 E C -0.268 176.199 176.600 -0.222 0.000 0.921 257 E CA -0.120 56.187 56.400 -0.156 0.000 1.184 257 E CB 0.585 30.232 29.700 -0.089 0.000 1.160 257 E HN 0.705 nan 8.360 nan 0.000 0.547 258 N N -0.975 117.536 118.700 -0.315 0.000 3.039 258 N HA 0.063 4.730 4.740 -0.122 0.000 0.257 258 N C 0.593 175.990 175.510 -0.188 0.000 1.497 258 N CA -0.573 52.315 53.050 -0.270 0.000 0.861 258 N CB 1.182 39.412 38.487 -0.428 0.000 1.479 258 N HN -0.228 nan 8.380 nan 0.000 0.547 259 V N 0.724 120.563 119.914 -0.125 0.000 2.392 259 V HA -0.173 3.874 4.120 -0.122 0.000 0.249 259 V C 2.182 178.228 176.094 -0.080 0.000 1.059 259 V CA 1.867 64.117 62.300 -0.084 0.000 1.051 259 V CB -0.666 31.126 31.823 -0.051 0.000 0.658 259 V HN 0.630 nan 8.190 nan 0.000 0.455 260 E N 0.502 120.643 120.200 -0.098 0.000 2.077 260 E HA -0.160 4.117 4.350 -0.122 0.000 0.193 260 E C 2.363 178.918 176.600 -0.075 0.000 0.989 260 E CA 1.462 57.816 56.400 -0.076 0.000 0.800 260 E CB -0.713 28.942 29.700 -0.075 0.000 0.746 260 E HN 0.624 nan 8.360 nan 0.000 0.452 261 G N 1.141 109.866 108.800 -0.125 0.000 2.422 261 G HA2 -0.209 3.678 3.960 -0.122 0.000 0.218 261 G HA3 -0.209 3.678 3.960 -0.122 0.000 0.218 261 G C 1.760 176.673 174.900 0.021 0.000 1.146 261 G CA 0.519 45.577 45.100 -0.070 0.000 0.769 261 G HN 0.160 nan 8.290 nan 0.000 0.547 262 L N 0.027 121.234 121.223 -0.027 0.000 2.044 262 L HA -0.031 4.236 4.340 -0.122 0.000 0.205 262 L C 2.956 179.844 176.870 0.030 0.000 1.075 262 L CA 0.365 55.193 54.840 -0.019 0.000 0.747 262 L CB -0.496 41.513 42.059 -0.084 0.000 0.903 262 L HN 0.066 nan 8.230 nan 0.000 0.435 263 V N 0.117 120.032 119.914 0.003 0.000 2.490 263 V HA -0.220 3.827 4.120 -0.122 0.000 0.250 263 V C 1.484 177.597 176.094 0.031 0.000 1.061 263 V CA 1.528 63.833 62.300 0.009 0.000 1.064 263 V CB -0.481 31.336 31.823 -0.009 0.000 0.670 263 V HN 0.508 nan 8.190 nan 0.000 0.461 264 N N -1.169 117.553 118.700 0.037 0.000 2.214 264 N HA 0.098 4.765 4.740 -0.122 0.000 0.214 264 N C 1.212 176.747 175.510 0.043 0.000 1.132 264 N CA -0.034 53.032 53.050 0.026 0.000 0.856 264 N CB 0.310 38.797 38.487 -0.001 0.000 1.020 264 N HN 0.460 nan 8.380 nan 0.000 0.509 265 F N 2.484 122.405 119.950 -0.048 0.000 2.091 265 F HA -0.226 4.217 4.527 -0.139 0.000 0.299 265 F C 1.647 177.425 175.800 -0.037 0.000 1.103 265 F CA 1.692 59.664 58.000 -0.047 0.000 1.228 265 F CB 0.105 39.073 39.000 -0.052 0.000 0.984 265 F HN -0.066 nan 8.300 nan 0.000 0.477 266 D N 0.309 120.659 120.400 -0.083 0.000 2.092 266 D HA -0.221 4.346 4.640 -0.122 0.000 0.193 266 D C 2.271 178.448 176.300 -0.205 0.000 0.994 266 D CA 1.900 55.802 54.000 -0.162 0.000 0.828 266 D CB -0.621 40.169 40.800 -0.018 0.000 0.963 266 D HN 0.653 nan 8.370 nan 0.000 0.450 267 E N 0.461 120.584 120.200 -0.129 0.000 2.208 267 E HA -0.094 4.183 4.350 -0.122 0.000 0.193 267 E C 2.368 178.887 176.600 -0.136 0.000 0.988 267 E CA 0.406 56.741 56.400 -0.109 0.000 0.828 267 E CB -0.372 29.292 29.700 -0.060 0.000 0.763 267 E HN 0.296 nan 8.360 nan 0.000 0.478 268 I N 1.090 121.556 120.570 -0.174 0.000 2.142 268 I HA -0.272 3.825 4.170 -0.122 0.000 0.240 268 I C 2.604 178.568 176.117 -0.256 0.000 1.078 268 I CA 0.907 62.098 61.300 -0.182 0.000 1.343 268 I CB -0.246 37.659 38.000 -0.158 0.000 1.046 268 I HN 0.132 nan 8.210 nan 0.000 0.405 269 L N 1.173 122.119 121.223 -0.462 0.000 2.079 269 L HA -0.166 4.101 4.340 -0.122 0.000 0.210 269 L C 2.482 179.208 176.870 -0.240 0.000 1.081 269 L CA 2.099 56.670 54.840 -0.448 0.000 0.752 269 L CB -0.791 40.827 42.059 -0.735 0.000 0.896 269 L HN 0.203 nan 8.230 nan 0.000 0.433 270 A N -1.012 121.689 122.820 -0.198 0.000 1.933 270 A HA -0.149 4.098 4.320 -0.122 0.000 0.218 270 A C 2.138 179.668 177.584 -0.091 0.000 1.175 270 A CA 1.687 53.652 52.037 -0.120 0.000 0.628 270 A CB -0.440 18.503 19.000 -0.096 0.000 0.814 270 A HN 0.558 nan 8.150 nan 0.000 0.444 271 E N -0.087 120.058 120.200 -0.092 0.000 2.250 271 E HA 0.200 4.477 4.350 -0.122 0.000 0.192 271 E C 1.114 177.676 176.600 -0.064 0.000 0.986 271 E CA 0.606 56.967 56.400 -0.065 0.000 0.849 271 E CB -0.373 29.296 29.700 -0.051 0.000 0.797 271 E HN 0.559 nan 8.360 nan 0.000 0.482 272 A N 1.629 124.399 122.820 -0.082 0.000 2.386 272 A HA 0.041 4.288 4.320 -0.122 0.000 0.246 272 A C 0.691 178.245 177.584 -0.050 0.000 1.089 272 A CA -0.037 51.961 52.037 -0.065 0.000 0.790 272 A CB 0.366 19.316 19.000 -0.083 0.000 1.042 272 A HN -0.070 nan 8.150 nan 0.000 0.497 273 D N -0.056 120.328 120.400 -0.026 0.000 2.338 273 D HA 0.246 4.813 4.640 -0.122 0.000 0.208 273 D C 0.831 177.137 176.300 0.011 0.000 0.997 273 D CA 1.506 55.499 54.000 -0.012 0.000 0.880 273 D CB 0.547 41.341 40.800 -0.011 0.000 0.980 273 D HN 0.704 nan 8.370 nan 0.000 0.509 274 G N -0.061 108.745 108.800 0.011 0.000 2.645 274 G HA2 0.531 4.418 3.960 -0.122 0.000 0.292 274 G HA3 0.531 4.418 3.960 -0.122 0.000 0.292 274 G C -1.708 173.192 174.900 -0.001 0.000 1.415 274 G CA -0.451 44.649 45.100 0.001 0.000 0.785 274 G HN -0.091 nan 8.290 nan 0.000 0.483 275 I N 0.514 121.091 120.570 0.011 0.000 2.619 275 I HA 0.484 4.581 4.170 -0.122 0.000 0.292 275 I C -0.638 175.497 176.117 0.030 0.000 1.100 275 I CA -0.625 60.705 61.300 0.050 0.000 1.043 275 I CB 2.026 40.115 38.000 0.149 0.000 1.239 275 I HN 0.620 nan 8.210 nan 0.000 0.420 276 M N 6.973 126.592 119.600 0.031 0.000 2.181 276 M HA 0.553 4.960 4.480 -0.122 0.000 0.323 276 M C -1.486 174.826 176.300 0.020 0.000 1.004 276 M CA -0.442 54.866 55.300 0.013 0.000 0.941 276 M CB 1.380 33.980 32.600 0.001 0.000 1.579 276 M HN 0.393 nan 8.290 nan 0.000 0.427 277 I N 4.962 125.536 120.570 0.006 0.000 2.297 277 I HA 0.336 4.433 4.170 -0.122 0.000 0.291 277 I C 0.187 176.297 176.117 -0.012 0.000 1.033 277 I CA -0.463 60.828 61.300 -0.014 0.000 1.253 277 I CB 1.371 39.349 38.000 -0.036 0.000 1.396 277 I HN 0.813 nan 8.210 nan 0.000 0.476 278 A N 6.505 129.318 122.820 -0.011 0.000 2.910 278 A HA 0.377 4.624 4.320 -0.122 0.000 0.316 278 A C 1.240 178.819 177.584 -0.008 0.000 1.493 278 A CA -0.531 51.505 52.037 -0.000 0.000 1.150 278 A CB -0.161 18.848 19.000 0.015 0.000 1.159 278 A HN 0.792 nan 8.150 nan 0.000 0.526 279 R N 1.336 121.831 120.500 -0.009 0.000 2.096 279 R HA -0.167 4.100 4.340 -0.122 0.000 0.240 279 R C 2.308 178.608 176.300 -0.000 0.000 1.139 279 R CA 2.210 58.305 56.100 -0.009 0.000 0.952 279 R CB -0.388 29.911 30.300 -0.001 0.000 0.854 279 R HN 0.666 nan 8.270 nan 0.000 0.436 280 G N 0.425 109.230 108.800 0.008 0.000 2.422 280 G HA2 -0.275 3.612 3.960 -0.122 0.000 0.218 280 G HA3 -0.275 3.612 3.960 -0.122 0.000 0.218 280 G C 0.630 175.541 174.900 0.018 0.000 1.146 280 G CA 1.358 46.466 45.100 0.014 0.000 0.769 280 G HN 0.326 nan 8.290 nan 0.000 0.547 281 D N 0.043 120.456 120.400 0.023 0.000 2.194 281 D HA 0.039 4.606 4.640 -0.122 0.000 0.204 281 D C 2.463 178.772 176.300 0.016 0.000 0.964 281 D CA 0.134 54.155 54.000 0.035 0.000 0.846 281 D CB -0.043 40.792 40.800 0.059 0.000 0.962 281 D HN 0.255 nan 8.370 nan 0.000 0.490 282 L N 0.631 121.849 121.223 -0.009 0.000 2.083 282 L HA -0.054 4.213 4.340 -0.122 0.000 0.209 282 L C 2.470 179.330 176.870 -0.017 0.000 1.083 282 L CA 1.247 56.069 54.840 -0.030 0.000 0.752 282 L CB -0.584 41.445 42.059 -0.051 0.000 0.899 282 L HN 0.167 nan 8.230 nan 0.000 0.433 283 G N -0.661 108.137 108.800 -0.004 0.000 2.498 283 G HA2 -0.198 3.689 3.960 -0.122 0.000 0.219 283 G HA3 -0.198 3.689 3.960 -0.122 0.000 0.219 283 G C 1.459 176.364 174.900 0.009 0.000 1.119 283 G CA 0.331 45.433 45.100 0.005 0.000 0.766 283 G HN 0.212 nan 8.290 nan 0.000 0.552 284 M N -0.023 119.585 119.600 0.014 0.000 2.495 284 M HA 0.215 4.622 4.480 -0.122 0.000 0.237 284 M C 1.337 177.649 176.300 0.020 0.000 1.131 284 M CA 0.588 55.901 55.300 0.021 0.000 1.032 284 M CB 0.238 32.858 32.600 0.032 0.000 1.513 284 M HN 0.123 nan 8.290 nan 0.000 0.488 285 E N 0.763 120.967 120.200 0.008 0.000 2.453 285 E HA 0.324 4.601 4.350 -0.122 0.000 0.211 285 E C 0.750 177.343 176.600 -0.011 0.000 0.897 285 E CA 0.311 56.712 56.400 0.001 0.000 1.063 285 E CB 1.522 31.212 29.700 -0.016 0.000 1.080 285 E HN 0.526 nan 8.360 nan 0.000 0.512 286 I N -1.915 118.645 120.570 -0.016 0.000 3.074 286 I HA 0.561 4.658 4.170 -0.122 0.000 0.310 286 I C -2.861 173.249 176.117 -0.011 0.000 1.153 286 I CA -2.927 58.360 61.300 -0.021 0.000 0.993 286 I CB 2.262 40.237 38.000 -0.042 0.000 1.237 286 I HN -0.357 nan 8.210 nan 0.000 0.443 287 P HA 0.139 nan 4.420 nan 0.000 0.265 287 P C -2.067 175.240 177.300 0.010 0.000 1.193 287 P CA -0.860 62.241 63.100 0.002 0.000 0.765 287 P CB -0.004 31.698 31.700 0.002 0.000 0.823 288 P HA -0.225 nan 4.420 nan 0.000 0.216 288 P C 1.085 178.433 177.300 0.080 0.000 1.150 288 P CA 1.624 64.748 63.100 0.039 0.000 0.843 288 P CB -0.102 31.617 31.700 0.032 0.000 0.787 289 E N 0.758 121.011 120.200 0.089 0.000 2.516 289 E HA -0.129 4.148 4.350 -0.122 0.000 0.199 289 E C 1.306 178.017 176.600 0.185 0.000 1.069 289 E CA 0.864 57.368 56.400 0.172 0.000 0.876 289 E CB -0.334 29.442 29.700 0.127 0.000 0.843 289 E HN 0.290 nan 8.360 nan 0.000 0.530 290 K N 0.111 120.535 120.400 0.039 0.000 2.360 290 K HA 0.149 4.396 4.320 -0.122 0.000 0.196 290 K C 1.841 178.335 176.600 -0.176 0.000 1.049 290 K CA 0.195 56.415 56.287 -0.113 0.000 1.049 290 K CB 0.752 33.197 32.500 -0.092 0.000 0.881 290 K HN -0.083 nan 8.250 nan 0.000 0.542 291 V N 1.773 121.654 119.914 -0.054 0.000 2.427 291 V HA -0.248 3.799 4.120 -0.122 0.000 0.248 291 V C 2.011 178.067 176.094 -0.064 0.000 1.051 291 V CA 1.789 64.056 62.300 -0.054 0.000 1.048 291 V CB -0.635 31.190 31.823 0.004 0.000 0.666 291 V HN 0.349 nan 8.190 nan 0.000 0.456 292 F N 0.091 120.011 119.950 -0.051 0.000 2.216 292 F HA -0.081 4.372 4.527 -0.124 0.000 0.300 292 F C 1.902 177.665 175.800 -0.060 0.000 1.085 292 F CA 1.393 59.362 58.000 -0.052 0.000 1.326 292 F CB -0.869 38.107 39.000 -0.041 0.000 1.027 292 F HN 0.064 nan 8.300 nan 0.000 0.497 293 L N 0.888 121.474 121.223 -1.061 0.000 2.005 293 L HA -0.095 4.172 4.340 -0.122 0.000 0.207 293 L C 3.068 179.710 176.870 -0.380 0.000 1.072 293 L CA 1.225 55.604 54.840 -0.769 0.000 0.744 293 L CB -1.225 40.387 42.059 -0.744 0.000 0.895 293 L HN 0.327 nan 8.230 nan 0.000 0.433 294 A N -0.565 122.062 122.820 -0.322 0.000 1.892 294 A HA -0.320 3.927 4.320 -0.122 0.000 0.218 294 A C 2.264 179.692 177.584 -0.260 0.000 1.188 294 A CA 2.122 53.998 52.037 -0.270 0.000 0.631 294 A CB -0.713 18.151 19.000 -0.226 0.000 0.822 294 A HN 0.520 nan 8.150 nan 0.000 0.447 295 Q N -0.456 119.233 119.800 -0.186 0.000 2.084 295 Q HA -0.224 4.043 4.340 -0.122 0.000 0.202 295 Q C 2.075 178.004 176.000 -0.119 0.000 0.978 295 Q CA 1.980 57.704 55.803 -0.131 0.000 0.844 295 Q CB -0.125 28.581 28.738 -0.052 0.000 0.898 295 Q HN 0.701 nan 8.270 nan 0.000 0.426 296 K N 0.081 120.418 120.400 -0.105 0.000 2.025 296 K HA -0.135 4.112 4.320 -0.122 0.000 0.207 296 K C 2.186 178.726 176.600 -0.100 0.000 1.049 296 K CA 1.527 57.771 56.287 -0.071 0.000 0.933 296 K CB -0.204 32.272 32.500 -0.040 0.000 0.714 296 K HN 0.305 nan 8.250 nan 0.000 0.438 297 M N 0.450 119.957 119.600 -0.155 0.000 2.080 297 M HA -0.232 4.175 4.480 -0.122 0.000 0.260 297 M C 1.999 178.192 176.300 -0.177 0.000 1.068 297 M CA 1.762 56.968 55.300 -0.157 0.000 1.109 297 M CB -0.051 32.430 32.600 -0.199 0.000 1.342 297 M HN 0.187 nan 8.290 nan 0.000 0.405 298 M N -0.051 119.356 119.600 -0.322 0.000 2.132 298 M HA -0.165 4.242 4.480 -0.122 0.000 0.263 298 M C 2.093 178.361 176.300 -0.053 0.000 1.065 298 M CA 1.486 56.529 55.300 -0.427 0.000 1.122 298 M CB -0.452 31.716 32.600 -0.721 0.000 1.365 298 M HN 0.330 nan 8.290 nan 0.000 0.411 299 I N 0.209 120.742 120.570 -0.061 0.000 2.226 299 I HA -0.269 3.828 4.170 -0.122 0.000 0.245 299 I C 2.719 178.842 176.117 0.010 0.000 1.100 299 I CA 1.289 62.585 61.300 -0.006 0.000 1.374 299 I CB -0.546 37.442 38.000 -0.019 0.000 1.057 299 I HN 0.254 nan 8.210 nan 0.000 0.413 300 A N 0.741 123.557 122.820 -0.006 0.000 1.877 300 A HA -0.230 4.017 4.320 -0.122 0.000 0.216 300 A C 2.298 179.897 177.584 0.024 0.000 1.186 300 A CA 1.673 53.709 52.037 -0.001 0.000 0.620 300 A CB -0.467 18.525 19.000 -0.013 0.000 0.822 300 A HN 0.303 nan 8.150 nan 0.000 0.443 301 K N -0.888 119.553 120.400 0.068 0.000 2.147 301 K HA -0.130 4.117 4.320 -0.122 0.000 0.205 301 K C 1.965 178.626 176.600 0.101 0.000 1.049 301 K CA 1.372 57.730 56.287 0.120 0.000 0.936 301 K CB -0.411 32.258 32.500 0.281 0.000 0.722 301 K HN 0.597 nan 8.250 nan 0.000 0.446 302 C N 0.580 119.949 119.300 0.116 0.000 2.457 302 C HA -0.012 4.375 4.460 -0.122 0.000 0.278 302 C C 2.141 177.141 174.990 0.017 0.000 1.309 302 C CA 0.427 59.486 59.018 0.067 0.000 1.735 302 C CB -1.108 26.684 27.740 0.088 0.000 1.992 302 C HN 0.542 nan 8.230 nan 0.000 0.493 303 N N 0.972 119.676 118.700 0.006 0.000 2.069 303 N HA -0.145 4.522 4.740 -0.122 0.000 0.191 303 N C 1.584 177.058 175.510 -0.061 0.000 1.031 303 N CA 1.267 54.299 53.050 -0.029 0.000 0.852 303 N CB -0.189 38.279 38.487 -0.032 0.000 1.018 303 N HN 0.270 nan 8.380 nan 0.000 0.423 304 V N 0.590 120.478 119.914 -0.043 0.000 2.453 304 V HA -0.141 3.906 4.120 -0.122 0.000 0.252 304 V C 1.768 177.828 176.094 -0.056 0.000 1.068 304 V CA 1.311 63.578 62.300 -0.055 0.000 1.070 304 V CB -0.096 31.714 31.823 -0.022 0.000 0.664 304 V HN 0.206 nan 8.190 nan 0.000 0.461 305 V N -0.670 119.221 119.914 -0.037 0.000 3.578 305 V HA 0.413 4.460 4.120 -0.122 0.000 0.290 305 V C 1.585 177.662 176.094 -0.028 0.000 1.376 305 V CA 0.996 63.278 62.300 -0.030 0.000 1.083 305 V CB 0.299 32.107 31.823 -0.026 0.000 0.911 305 V HN 0.695 nan 8.190 nan 0.000 0.433 306 G N 1.142 109.920 108.800 -0.037 0.000 2.155 306 G HA2 -0.292 3.595 3.960 -0.122 0.000 0.257 306 G HA3 -0.292 3.595 3.960 -0.122 0.000 0.257 306 G C 0.200 175.098 174.900 -0.004 0.000 0.983 306 G CA 0.476 45.561 45.100 -0.025 0.000 0.676 306 G HN 0.503 nan 8.290 nan 0.000 0.528 307 K N 1.555 121.952 120.400 -0.005 0.000 2.201 307 K HA 0.433 4.680 4.320 -0.122 0.000 0.278 307 K C -2.104 174.501 176.600 0.010 0.000 1.027 307 K CA -1.851 54.437 56.287 0.002 0.000 0.909 307 K CB 1.654 34.148 32.500 -0.011 0.000 1.062 307 K HN 0.074 nan 8.250 nan 0.000 0.465 308 P HA -0.019 nan 4.420 nan 0.000 0.268 308 P C -0.825 176.473 177.300 -0.002 0.000 1.205 308 P CA -0.252 62.850 63.100 0.004 0.000 0.771 308 P CB 0.983 32.679 31.700 -0.007 0.000 0.858 309 V N 4.582 124.496 119.914 0.001 0.000 2.656 309 V HA 0.487 4.534 4.120 -0.122 0.000 0.307 309 V C -0.540 175.548 176.094 -0.010 0.000 1.051 309 V CA -1.062 61.243 62.300 0.009 0.000 0.893 309 V CB 1.401 33.244 31.823 0.034 0.000 0.999 309 V HN 0.301 nan 8.190 nan 0.000 0.426 310 I N 5.195 125.755 120.570 -0.018 0.000 2.378 310 I HA 0.408 4.505 4.170 -0.122 0.000 0.291 310 I C 0.057 176.168 176.117 -0.009 0.000 0.992 310 I CA -0.331 60.955 61.300 -0.024 0.000 1.154 310 I CB 2.060 40.031 38.000 -0.049 0.000 1.315 310 I HN 0.482 nan 8.210 nan 0.000 0.448 311 T N 5.946 120.497 114.554 -0.005 0.000 2.738 311 T HA 0.620 4.897 4.350 -0.122 0.000 0.298 311 T C 0.050 174.750 174.700 -0.000 0.000 0.962 311 T CA -0.419 61.679 62.100 -0.003 0.000 0.972 311 T CB 0.766 69.633 68.868 -0.001 0.000 0.928 311 T HN 0.693 nan 8.240 nan 0.000 0.474 312 A N 3.351 126.171 122.820 0.001 0.000 2.386 312 A HA 0.977 5.224 4.320 -0.122 0.000 0.308 312 A C 0.405 177.994 177.584 0.008 0.000 1.128 312 A CA -0.473 51.568 52.037 0.006 0.000 0.789 312 A CB 0.840 19.846 19.000 0.009 0.000 1.325 312 A HN 1.530 nan 8.150 nan 0.000 0.437 313 T N -1.227 113.335 114.554 0.013 0.000 0.541 313 T HA -0.168 4.109 4.350 -0.122 0.000 0.774 313 T C -0.041 174.665 174.700 0.010 0.000 0.992 313 T CA 1.105 63.214 62.100 0.015 0.000 4.077 313 T CB -1.744 67.135 68.868 0.018 0.000 2.303 313 T HN 2.207 nan 8.240 nan 0.000 0.398 314 Q N 1.237 121.043 119.800 0.009 0.000 2.452 314 Q HA -0.231 4.036 4.340 -0.122 0.000 0.318 314 Q C 0.955 176.956 176.000 0.001 0.000 1.386 314 Q CA 1.200 57.006 55.803 0.005 0.000 0.872 314 Q CB -0.985 27.756 28.738 0.006 0.000 1.151 314 Q HN 0.706 nan 8.270 nan 0.000 0.417 315 M N -0.728 118.872 119.600 0.001 0.000 2.508 315 M HA 0.128 4.535 4.480 -0.122 0.000 0.238 315 M C 1.174 177.468 176.300 -0.009 0.000 1.210 315 M CA 1.234 56.532 55.300 -0.004 0.000 1.231 315 M CB 0.016 32.615 32.600 -0.002 0.000 1.201 315 M HN 0.349 nan 8.290 nan 0.000 0.491 316 L N 0.302 121.521 121.223 -0.007 0.000 3.083 316 L HA 0.233 4.500 4.340 -0.122 0.000 0.286 316 L C 1.226 178.095 176.870 -0.001 0.000 1.307 316 L CA -0.207 54.627 54.840 -0.010 0.000 0.897 316 L CB 0.467 42.516 42.059 -0.017 0.000 1.306 316 L HN 0.313 nan 8.230 nan 0.000 0.569 317 E N 0.743 120.943 120.200 0.000 0.000 2.130 317 E HA -0.235 4.042 4.350 -0.122 0.000 0.196 317 E C 2.076 178.682 176.600 0.009 0.000 0.998 317 E CA 1.833 58.235 56.400 0.004 0.000 0.806 317 E CB 0.164 29.865 29.700 0.002 0.000 0.738 317 E HN 0.615 nan 8.360 nan 0.000 0.459 318 S N 0.275 115.979 115.700 0.006 0.000 2.500 318 S HA -0.089 4.308 4.470 -0.122 0.000 0.239 318 S C 1.811 176.431 174.600 0.034 0.000 0.989 318 S CA 0.672 58.879 58.200 0.013 0.000 0.951 318 S CB -0.182 63.019 63.200 0.001 0.000 0.759 318 S HN 0.190 nan 8.310 nan 0.000 0.523 319 M N 0.439 120.062 119.600 0.038 0.000 2.618 319 M HA 0.252 4.659 4.480 -0.122 0.000 0.240 319 M C 1.430 177.809 176.300 0.132 0.000 1.123 319 M CA 0.400 55.749 55.300 0.083 0.000 1.060 319 M CB -0.457 32.172 32.600 0.048 0.000 1.535 319 M HN 0.345 nan 8.290 nan 0.000 0.507 320 I N 0.486 121.095 120.570 0.065 0.000 2.361 320 I HA -0.300 3.797 4.170 -0.122 0.000 0.251 320 I C 2.027 178.162 176.117 0.030 0.000 1.133 320 I CA 1.557 62.872 61.300 0.025 0.000 1.413 320 I CB -0.112 37.883 38.000 -0.007 0.000 1.073 320 I HN 0.302 nan 8.210 nan 0.000 0.424 321 K N -0.582 119.870 120.400 0.086 0.000 2.436 321 K HA 0.176 4.423 4.320 -0.122 0.000 0.198 321 K C 0.076 176.844 176.600 0.279 0.000 1.174 321 K CA -0.005 56.347 56.287 0.110 0.000 0.951 321 K CB 0.403 32.934 32.500 0.051 0.000 1.040 321 K HN 0.189 nan 8.250 nan 0.000 0.536 322 N N 1.399 120.237 118.700 0.230 0.000 2.417 322 N HA 0.127 4.794 4.740 -0.122 0.000 0.300 322 N C -2.222 173.260 175.510 -0.045 0.000 1.102 322 N CA -1.763 51.362 53.050 0.125 0.000 0.886 322 N CB 1.570 40.069 38.487 0.019 0.000 1.203 322 N HN -0.181 nan 8.380 nan 0.000 0.496 323 P HA -0.022 nan 4.420 nan 0.000 0.231 323 P C -0.324 176.765 177.300 -0.352 0.000 1.168 323 P CA 0.905 63.521 63.100 -0.808 0.000 0.779 323 P CB 0.751 31.892 31.700 -0.931 0.000 0.844 324 R N 0.456 120.828 120.500 -0.214 0.000 2.711 324 R HA 0.471 4.738 4.340 -0.122 0.000 0.284 324 R C -2.438 173.807 176.300 -0.092 0.000 0.968 324 R CA -2.199 53.816 56.100 -0.143 0.000 0.924 324 R CB 1.958 32.186 30.300 -0.120 0.000 1.162 324 R HN 0.010 nan 8.270 nan 0.000 0.465 325 P HA 0.118 nan 4.420 nan 0.000 0.279 325 P C -0.584 176.686 177.300 -0.051 0.000 1.276 325 P CA -0.382 62.684 63.100 -0.056 0.000 0.801 325 P CB 0.754 32.418 31.700 -0.061 0.000 1.127 326 T N -2.508 112.023 114.554 -0.039 0.000 2.899 326 T HA 0.210 4.487 4.350 -0.122 0.000 0.284 326 T C 1.414 176.091 174.700 -0.038 0.000 1.004 326 T CA -0.693 61.385 62.100 -0.036 0.000 1.043 326 T CB 0.779 69.631 68.868 -0.028 0.000 1.013 326 T HN 0.292 nan 8.240 nan 0.000 0.518 327 R N 1.016 121.494 120.500 -0.037 0.000 2.133 327 R HA -0.204 4.063 4.340 -0.122 0.000 0.245 327 R C 2.408 178.687 176.300 -0.035 0.000 1.137 327 R CA 2.235 58.313 56.100 -0.036 0.000 0.947 327 R CB -1.404 28.877 30.300 -0.033 0.000 0.865 327 R HN 0.897 nan 8.270 nan 0.000 0.437 328 A N 0.626 123.426 122.820 -0.033 0.000 1.930 328 A HA -0.148 4.099 4.320 -0.122 0.000 0.217 328 A C 2.065 179.631 177.584 -0.031 0.000 1.175 328 A CA 1.513 53.530 52.037 -0.032 0.000 0.627 328 A CB -0.339 18.644 19.000 -0.029 0.000 0.815 328 A HN 0.518 nan 8.150 nan 0.000 0.443 329 E N -0.228 119.954 120.200 -0.030 0.000 2.047 329 E HA -0.089 4.188 4.350 -0.122 0.000 0.191 329 E C 2.348 178.928 176.600 -0.033 0.000 0.987 329 E CA 0.930 57.314 56.400 -0.028 0.000 0.799 329 E CB -0.283 29.401 29.700 -0.027 0.000 0.752 329 E HN 0.606 nan 8.360 nan 0.000 0.449 330 A N 1.467 124.263 122.820 -0.039 0.000 1.902 330 A HA -0.131 4.116 4.320 -0.122 0.000 0.217 330 A C 2.383 179.944 177.584 -0.038 0.000 1.181 330 A CA 1.737 53.748 52.037 -0.044 0.000 0.623 330 A CB -0.650 18.320 19.000 -0.051 0.000 0.818 330 A HN 0.296 nan 8.150 nan 0.000 0.443 331 A N -0.324 122.474 122.820 -0.037 0.000 1.969 331 A HA -0.161 4.086 4.320 -0.122 0.000 0.218 331 A C 1.796 179.359 177.584 -0.034 0.000 1.169 331 A CA 2.056 54.070 52.037 -0.037 0.000 0.635 331 A CB -0.656 18.320 19.000 -0.040 0.000 0.810 331 A HN 0.589 nan 8.150 nan 0.000 0.445 332 D N -0.696 119.685 120.400 -0.031 0.000 2.117 332 D HA -0.112 4.455 4.640 -0.122 0.000 0.198 332 D C 1.787 178.076 176.300 -0.018 0.000 0.982 332 D CA 1.481 55.467 54.000 -0.024 0.000 0.828 332 D CB 0.022 40.810 40.800 -0.019 0.000 0.967 332 D HN 0.145 nan 8.370 nan 0.000 0.464 333 V N 0.780 120.682 119.914 -0.021 0.000 2.295 333 V HA -0.205 3.842 4.120 -0.122 0.000 0.246 333 V C 2.575 178.659 176.094 -0.017 0.000 1.049 333 V CA 1.729 64.018 62.300 -0.018 0.000 1.024 333 V CB -0.993 30.816 31.823 -0.024 0.000 0.648 333 V HN 0.335 nan 8.190 nan 0.000 0.447 334 A N 0.508 123.314 122.820 -0.024 0.000 1.908 334 A HA -0.256 3.991 4.320 -0.122 0.000 0.218 334 A C 2.020 179.590 177.584 -0.023 0.000 1.181 334 A CA 2.194 54.216 52.037 -0.024 0.000 0.627 334 A CB -0.672 18.309 19.000 -0.031 0.000 0.818 334 A HN 0.602 nan 8.150 nan 0.000 0.445 335 N N -0.095 118.591 118.700 -0.023 0.000 2.457 335 N HA 0.035 4.702 4.740 -0.122 0.000 0.180 335 N C 1.714 177.219 175.510 -0.008 0.000 1.050 335 N CA 1.060 54.099 53.050 -0.019 0.000 0.906 335 N CB -0.282 38.191 38.487 -0.023 0.000 0.968 335 N HN 0.508 nan 8.380 nan 0.000 0.445 336 A N 0.558 123.375 122.820 -0.006 0.000 1.897 336 A HA -0.024 4.223 4.320 -0.122 0.000 0.215 336 A C 2.426 180.009 177.584 -0.001 0.000 1.181 336 A CA 0.874 52.911 52.037 -0.001 0.000 0.620 336 A CB -0.594 18.406 19.000 0.001 0.000 0.821 336 A HN 0.064 nan 8.150 nan 0.000 0.443 337 V N 0.141 120.054 119.914 -0.001 0.000 2.343 337 V HA -0.253 3.794 4.120 -0.122 0.000 0.247 337 V C 2.530 178.616 176.094 -0.013 0.000 1.051 337 V CA 1.999 64.300 62.300 0.003 0.000 1.036 337 V CB -0.735 31.093 31.823 0.009 0.000 0.654 337 V HN 0.556 nan 8.190 nan 0.000 0.451 338 L N -0.352 120.856 121.223 -0.024 0.000 2.201 338 L HA -0.135 4.132 4.340 -0.122 0.000 0.212 338 L C 2.200 179.053 176.870 -0.029 0.000 1.105 338 L CA 1.152 55.969 54.840 -0.038 0.000 0.775 338 L CB -0.606 41.428 42.059 -0.042 0.000 0.913 338 L HN 0.313 nan 8.230 nan 0.000 0.440 339 D N 0.212 120.603 120.400 -0.014 0.000 2.178 339 D HA -0.069 4.498 4.640 -0.122 0.000 0.201 339 D C 1.603 177.895 176.300 -0.013 0.000 0.980 339 D CA 1.470 55.465 54.000 -0.009 0.000 0.842 339 D CB 0.069 40.869 40.800 -0.000 0.000 0.948 339 D HN 0.389 nan 8.370 nan 0.000 0.472 340 G N -0.395 108.399 108.800 -0.011 0.000 2.147 340 G HA2 -0.196 3.691 3.960 -0.122 0.000 0.128 340 G HA3 -0.196 3.691 3.960 -0.122 0.000 0.128 340 G C 0.371 175.274 174.900 0.005 0.000 1.026 340 G CA 0.090 45.186 45.100 -0.006 0.000 0.693 340 G HN 0.324 nan 8.290 nan 0.000 0.499 341 T N 0.371 114.929 114.554 0.007 0.000 2.928 341 T HA 0.275 4.552 4.350 -0.122 0.000 0.305 341 T C 1.441 176.155 174.700 0.023 0.000 1.035 341 T CA 0.885 62.992 62.100 0.012 0.000 1.145 341 T CB 0.341 69.215 68.868 0.010 0.000 0.963 341 T HN 0.228 nan 8.240 nan 0.000 0.545 342 D N 2.282 122.694 120.400 0.020 0.000 2.137 342 D HA 0.040 4.607 4.640 -0.122 0.000 0.202 342 D C 0.461 176.780 176.300 0.032 0.000 0.970 342 D CA 0.856 54.872 54.000 0.027 0.000 0.837 342 D CB 0.324 41.134 40.800 0.016 0.000 0.981 342 D HN 0.484 nan 8.370 nan 0.000 0.475 343 C N 0.677 119.986 119.300 0.016 0.000 2.634 343 C HA 0.579 4.966 4.460 -0.122 0.000 0.313 343 C C 0.039 175.040 174.990 0.018 0.000 1.198 343 C CA -1.095 57.934 59.018 0.018 0.000 1.605 343 C CB 1.790 29.521 27.740 -0.015 0.000 2.196 343 C HN 0.081 nan 8.230 nan 0.000 0.486 344 V N 0.558 120.490 119.914 0.030 0.000 2.667 344 V HA 0.758 4.805 4.120 -0.122 0.000 0.308 344 V C -0.580 175.526 176.094 0.019 0.000 1.048 344 V CA -0.645 61.667 62.300 0.020 0.000 0.928 344 V CB 1.728 33.563 31.823 0.021 0.000 1.004 344 V HN 0.985 nan 8.190 nan 0.000 0.444 345 M N 3.879 123.487 119.600 0.013 0.000 2.393 345 M HA 0.629 5.036 4.480 -0.122 0.000 0.316 345 M C -1.789 174.521 176.300 0.018 0.000 1.087 345 M CA -0.695 54.614 55.300 0.016 0.000 0.937 345 M CB 1.987 34.593 32.600 0.010 0.000 1.668 345 M HN 0.745 nan 8.290 nan 0.000 0.438 346 L N 2.849 124.086 121.223 0.023 0.000 2.309 346 L HA 0.480 4.747 4.340 -0.122 0.000 0.282 346 L C 0.138 177.023 176.870 0.025 0.000 1.036 346 L CA -0.250 54.603 54.840 0.021 0.000 0.806 346 L CB 1.924 43.997 42.059 0.023 0.000 1.220 346 L HN 0.825 nan 8.230 nan 0.000 0.429 347 S N 1.228 116.940 115.700 0.020 0.000 3.096 347 S HA 0.156 4.553 4.470 -0.122 0.000 0.169 347 S C 1.543 176.150 174.600 0.011 0.000 0.736 347 S CA 0.348 58.562 58.200 0.024 0.000 0.976 347 S CB -0.157 63.059 63.200 0.028 0.000 0.705 347 S HN 0.863 nan 8.310 nan 0.000 0.666 348 G N 1.032 109.834 108.800 0.002 0.000 2.470 348 G HA2 -0.136 3.751 3.960 -0.122 0.000 0.220 348 G HA3 -0.136 3.751 3.960 -0.122 0.000 0.220 348 G C 0.961 175.845 174.900 -0.028 0.000 1.121 348 G CA 0.833 45.920 45.100 -0.021 0.000 0.766 348 G HN 0.511 nan 8.290 nan 0.000 0.553 349 E N 0.182 120.376 120.200 -0.009 0.000 2.160 349 E HA -0.107 4.170 4.350 -0.122 0.000 0.195 349 E C 2.733 179.328 176.600 -0.007 0.000 0.991 349 E CA 1.842 58.242 56.400 -0.000 0.000 0.810 349 E CB -0.160 29.548 29.700 0.014 0.000 0.742 349 E HN 0.609 nan 8.360 nan 0.000 0.466 350 T N -3.079 111.468 114.554 -0.010 0.000 3.018 350 T HA 0.362 4.639 4.350 -0.122 0.000 0.246 350 T C 2.023 176.692 174.700 -0.052 0.000 1.026 350 T CA 0.241 62.332 62.100 -0.015 0.000 1.081 350 T CB -0.038 68.838 68.868 0.014 0.000 0.970 350 T HN 0.121 nan 8.240 nan 0.000 0.475 351 A N 2.509 125.296 122.820 -0.055 0.000 1.877 351 A HA 0.159 4.406 4.320 -0.122 0.000 0.216 351 A C 1.198 178.673 177.584 -0.183 0.000 1.186 351 A CA 1.146 53.122 52.037 -0.101 0.000 0.620 351 A CB -0.630 18.337 19.000 -0.056 0.000 0.822 351 A HN 0.653 nan 8.150 nan 0.000 0.443 352 N N -3.507 115.105 118.700 -0.148 0.000 3.184 352 N HA 0.564 5.231 4.740 -0.122 0.000 0.353 352 N C -0.040 175.386 175.510 -0.140 0.000 1.441 352 N CA 0.163 53.110 53.050 -0.173 0.000 0.723 352 N CB 0.662 39.055 38.487 -0.157 0.000 1.547 352 N HN 0.757 nan 8.380 nan 0.000 0.624 353 G N -0.380 108.332 108.800 -0.147 0.000 2.733 353 G HA2 -0.169 3.718 3.960 -0.122 0.000 0.686 353 G HA3 -0.169 3.718 3.960 -0.122 0.000 0.686 353 G C -0.079 174.683 174.900 -0.231 0.000 1.373 353 G CA -0.515 44.497 45.100 -0.147 0.000 0.838 353 G HN 0.440 nan 8.290 nan 0.000 0.588 354 E N -0.260 119.710 120.200 -0.385 0.000 2.230 354 E HA 0.089 4.366 4.350 -0.122 0.000 0.192 354 E C 0.919 177.011 176.600 -0.845 0.000 0.987 354 E CA 1.114 57.054 56.400 -0.766 0.000 0.841 354 E CB 0.060 28.998 29.700 -1.270 0.000 0.783 354 E HN 0.463 nan 8.360 nan 0.000 0.481 355 F N 0.739 120.669 119.950 -0.033 0.000 2.597 355 F HA 0.264 4.717 4.527 -0.124 0.000 0.336 355 F C -1.634 174.152 175.800 -0.024 0.000 1.432 355 F CA -2.163 55.822 58.000 -0.026 0.000 1.120 355 F CB 0.999 39.982 39.000 -0.028 0.000 1.253 355 F HN -0.107 nan 8.300 nan 0.000 0.546 356 P HA -0.163 nan 4.420 nan 0.000 0.215 356 P C 1.787 179.129 177.300 0.070 0.000 1.157 356 P CA 1.338 64.466 63.100 0.048 0.000 0.868 356 P CB 0.434 32.139 31.700 0.009 0.000 0.788 357 V N 0.496 120.459 119.914 0.082 0.000 2.261 357 V HA -0.221 3.826 4.120 -0.122 0.000 0.246 357 V C 2.962 179.102 176.094 0.077 0.000 1.047 357 V CA 1.956 64.306 62.300 0.084 0.000 1.015 357 V CB -1.485 30.391 31.823 0.088 0.000 0.642 357 V HN -0.024 nan 8.190 nan 0.000 0.446 358 I N 0.046 120.670 120.570 0.090 0.000 2.264 358 I HA -0.245 3.852 4.170 -0.122 0.000 0.248 358 I C 2.586 178.696 176.117 -0.011 0.000 1.111 358 I CA 2.009 63.327 61.300 0.030 0.000 1.382 358 I CB -1.715 36.294 38.000 0.014 0.000 1.060 358 I HN 0.581 nan 8.210 nan 0.000 0.418 359 T N 0.204 114.778 114.554 0.034 0.000 2.777 359 T HA -0.135 4.142 4.350 -0.122 0.000 0.266 359 T C 2.069 176.757 174.700 -0.020 0.000 1.040 359 T CA 1.531 63.634 62.100 0.006 0.000 1.141 359 T CB -0.345 68.546 68.868 0.038 0.000 0.868 359 T HN 0.385 nan 8.240 nan 0.000 0.444 360 V N 1.590 121.510 119.914 0.010 0.000 2.295 360 V HA -0.193 3.854 4.120 -0.122 0.000 0.246 360 V C 2.479 178.559 176.094 -0.023 0.000 1.049 360 V CA 1.690 64.002 62.300 0.020 0.000 1.024 360 V CB -0.692 31.173 31.823 0.071 0.000 0.648 360 V HN 0.517 nan 8.190 nan 0.000 0.447 361 E N 0.202 120.375 120.200 -0.045 0.000 2.049 361 E HA -0.229 4.048 4.350 -0.122 0.000 0.198 361 E C 2.317 178.633 176.600 -0.473 0.000 1.007 361 E CA 2.063 58.320 56.400 -0.239 0.000 0.809 361 E CB -0.399 29.181 29.700 -0.200 0.000 0.749 361 E HN 0.604 nan 8.360 nan 0.000 0.450 362 T N 1.062 115.428 114.554 -0.312 0.000 2.684 362 T HA -0.232 4.045 4.350 -0.122 0.000 0.267 362 T C 1.797 176.352 174.700 -0.242 0.000 1.036 362 T CA 1.604 63.530 62.100 -0.290 0.000 1.148 362 T CB -0.233 68.525 68.868 -0.184 0.000 0.863 362 T HN 0.078 nan 8.240 nan 0.000 0.436 363 M N 1.926 121.425 119.600 -0.169 0.000 2.080 363 M HA 0.010 4.417 4.480 -0.122 0.000 0.260 363 M C 2.325 178.509 176.300 -0.192 0.000 1.068 363 M CA 1.619 56.841 55.300 -0.129 0.000 1.109 363 M CB -0.924 31.637 32.600 -0.066 0.000 1.342 363 M HN 0.221 nan 8.290 nan 0.000 0.405 364 A N -0.652 122.009 122.820 -0.264 0.000 1.930 364 A HA -0.169 4.078 4.320 -0.122 0.000 0.217 364 A C 2.352 179.761 177.584 -0.291 0.000 1.175 364 A CA 1.903 53.661 52.037 -0.464 0.000 0.627 364 A CB -0.683 18.216 19.000 -0.168 0.000 0.815 364 A HN 0.584 nan 8.150 nan 0.000 0.443 365 R N -0.466 119.812 120.500 -0.371 0.000 2.073 365 R HA 0.004 4.271 4.340 -0.122 0.000 0.229 365 R C 1.936 178.183 176.300 -0.088 0.000 1.120 365 R CA 1.398 57.307 56.100 -0.318 0.000 0.967 365 R CB -0.365 29.551 30.300 -0.640 0.000 0.862 365 R HN 0.553 nan 8.270 nan 0.000 0.436 366 I N -0.027 120.468 120.570 -0.125 0.000 2.127 366 I HA -0.410 3.687 4.170 -0.122 0.000 0.241 366 I C 2.408 178.516 176.117 -0.015 0.000 1.075 366 I CA 1.224 62.486 61.300 -0.063 0.000 1.334 366 I CB -0.345 37.610 38.000 -0.075 0.000 1.040 366 I HN 0.323 nan 8.210 nan 0.000 0.405 367 C N -0.266 119.019 119.300 -0.024 0.000 2.403 367 C HA -0.252 4.135 4.460 -0.122 0.000 0.277 367 C C 2.805 177.865 174.990 0.116 0.000 1.248 367 C CA 0.925 59.962 59.018 0.032 0.000 1.762 367 C CB -1.112 26.636 27.740 0.014 0.000 2.014 367 C HN 0.532 nan 8.230 nan 0.000 0.486 368 Y N 1.774 122.104 120.300 0.051 0.000 2.242 368 Y HA -0.133 4.342 4.550 -0.125 0.000 0.291 368 Y C 2.491 178.443 175.900 0.088 0.000 1.137 368 Y CA 1.630 59.810 58.100 0.134 0.000 1.181 368 Y CB -0.177 38.412 38.460 0.215 0.000 0.989 368 Y HN 0.329 nan 8.280 nan 0.000 0.527 369 E N 0.229 120.473 120.200 0.073 0.000 2.072 369 E HA -0.174 4.103 4.350 -0.122 0.000 0.191 369 E C 2.409 178.966 176.600 -0.072 0.000 0.985 369 E CA 1.064 57.458 56.400 -0.011 0.000 0.801 369 E CB -0.651 29.065 29.700 0.027 0.000 0.750 369 E HN 0.561 nan 8.360 nan 0.000 0.452 370 A N 1.563 124.355 122.820 -0.047 0.000 1.933 370 A HA -0.193 4.054 4.320 -0.122 0.000 0.218 370 A C 1.940 179.474 177.584 -0.083 0.000 1.175 370 A CA 1.390 53.394 52.037 -0.055 0.000 0.628 370 A CB -0.471 18.510 19.000 -0.032 0.000 0.814 370 A HN 0.181 nan 8.150 nan 0.000 0.444 371 E N -0.794 119.353 120.200 -0.088 0.000 2.409 371 E HA -0.072 4.205 4.350 -0.122 0.000 0.198 371 E C 1.587 178.095 176.600 -0.153 0.000 1.024 371 E CA 1.010 57.350 56.400 -0.098 0.000 0.861 371 E CB -0.164 29.527 29.700 -0.014 0.000 0.788 371 E HN 0.575 nan 8.360 nan 0.000 0.521 372 T N -0.320 114.119 114.554 -0.192 0.000 2.904 372 T HA -0.115 4.162 4.350 -0.122 0.000 0.267 372 T C 1.762 176.396 174.700 -0.110 0.000 1.059 372 T CA 0.682 62.687 62.100 -0.158 0.000 1.137 372 T CB -0.095 68.679 68.868 -0.156 0.000 0.879 372 T HN 0.344 nan 8.240 nan 0.000 0.467 373 C N 1.410 120.642 119.300 -0.114 0.000 2.500 373 C HA 0.235 4.622 4.460 -0.122 0.000 0.273 373 C C 1.231 176.131 174.990 -0.150 0.000 1.428 373 C CA -0.779 58.177 59.018 -0.104 0.000 1.766 373 C CB -0.867 26.823 27.740 -0.084 0.000 1.817 373 C HN 0.240 nan 8.230 nan 0.000 0.543 374 V N 2.698 122.471 119.914 -0.235 0.000 2.540 374 V HA 0.027 4.074 4.120 -0.122 0.000 0.297 374 V C 0.205 176.035 176.094 -0.440 0.000 1.024 374 V CA 0.826 62.887 62.300 -0.399 0.000 1.105 374 V CB 0.285 31.721 31.823 -0.644 0.000 0.938 374 V HN 0.351 nan 8.190 nan 0.000 0.482 375 D N 4.535 124.758 120.400 -0.296 0.000 2.479 375 D HA 0.182 4.749 4.640 -0.122 0.000 0.218 375 D C 0.535 176.758 176.300 -0.128 0.000 1.131 375 D CA -0.208 53.696 54.000 -0.159 0.000 0.916 375 D CB 0.489 41.243 40.800 -0.076 0.000 1.022 375 D HN 0.512 nan 8.370 nan 0.000 0.515 376 Y N 2.363 122.671 120.300 0.012 0.000 2.181 376 Y HA -0.070 4.403 4.550 -0.127 0.000 0.288 376 Y C -0.543 175.376 175.900 0.031 0.000 1.146 376 Y CA 1.003 59.117 58.100 0.023 0.000 1.164 376 Y CB -1.363 37.111 38.460 0.023 0.000 0.982 376 Y HN 0.432 nan 8.280 nan 0.000 0.515 377 P HA -0.153 nan 4.420 nan 0.000 0.218 377 P C 1.366 178.714 177.300 0.080 0.000 1.149 377 P CA 2.081 65.246 63.100 0.108 0.000 0.817 377 P CB -0.100 31.647 31.700 0.079 0.000 0.785 378 A N -0.587 122.266 122.820 0.055 0.000 1.898 378 A HA -0.126 4.121 4.320 -0.122 0.000 0.216 378 A C 2.201 179.810 177.584 0.041 0.000 1.181 378 A CA 1.229 53.286 52.037 0.034 0.000 0.620 378 A CB -1.573 17.430 19.000 0.006 0.000 0.819 378 A HN 0.110 nan 8.150 nan 0.000 0.442 379 L N -1.379 119.872 121.223 0.047 0.000 2.083 379 L HA -0.211 4.056 4.340 -0.122 0.000 0.209 379 L C 3.078 180.008 176.870 0.099 0.000 1.083 379 L CA 1.947 56.819 54.840 0.054 0.000 0.752 379 L CB -0.995 41.097 42.059 0.055 0.000 0.899 379 L HN 0.640 nan 8.230 nan 0.000 0.433 380 Y N 0.135 120.525 120.300 0.150 0.000 2.200 380 Y HA -0.202 4.275 4.550 -0.122 0.000 0.290 380 Y C 2.882 178.891 175.900 0.182 0.000 1.137 380 Y CA 2.272 60.504 58.100 0.219 0.000 1.163 380 Y CB -1.208 37.361 38.460 0.182 0.000 0.988 380 Y HN 0.304 nan 8.280 nan 0.000 0.518 381 R N 0.555 121.123 120.500 0.112 0.000 2.148 381 R HA 0.227 4.494 4.340 -0.122 0.000 0.223 381 R C 2.624 178.967 176.300 0.072 0.000 1.088 381 R CA 1.717 57.868 56.100 0.084 0.000 0.985 381 R CB -1.538 28.796 30.300 0.057 0.000 0.880 381 R HN 1.123 nan 8.270 nan 0.000 0.451 382 A N 0.005 122.860 122.820 0.060 0.000 1.897 382 A HA 0.044 4.291 4.320 -0.122 0.000 0.215 382 A C 2.313 179.915 177.584 0.031 0.000 1.181 382 A CA 1.785 53.843 52.037 0.035 0.000 0.620 382 A CB -0.265 18.745 19.000 0.017 0.000 0.821 382 A HN 0.481 nan 8.150 nan 0.000 0.443 383 M N -0.530 119.091 119.600 0.035 0.000 2.229 383 M HA -0.069 4.338 4.480 -0.122 0.000 0.264 383 M C 1.876 178.232 176.300 0.094 0.000 1.063 383 M CA 1.373 56.661 55.300 -0.020 0.000 1.114 383 M CB -0.875 31.601 32.600 -0.206 0.000 1.387 383 M HN 0.451 nan 8.290 nan 0.000 0.420 384 C N -0.686 118.724 119.300 0.182 0.000 2.464 384 C HA 0.266 4.653 4.460 -0.122 0.000 0.278 384 C C 1.654 176.698 174.990 0.091 0.000 1.375 384 C CA 0.381 59.502 59.018 0.171 0.000 1.761 384 C CB -1.930 25.897 27.740 0.145 0.000 1.944 384 C HN 0.529 nan 8.230 nan 0.000 0.509 390 P HA 0.450 nan 4.420 nan 0.000 0.277 390 P C 0.560 177.874 177.300 0.023 0.000 1.354 390 P CA -0.229 62.883 63.100 0.020 0.000 0.891 390 P CB -0.085 31.624 31.700 0.015 0.000 1.058 391 I N 0.294 120.882 120.570 0.030 0.000 3.045 391 I HA 0.150 4.247 4.170 -0.122 0.000 0.288 391 I C 0.691 176.826 176.117 0.029 0.000 1.238 391 I CA -0.480 60.843 61.300 0.038 0.000 1.396 391 I CB 0.172 38.203 38.000 0.052 0.000 1.355 391 I HN 0.348 nan 8.210 nan 0.000 0.601 392 S N 2.672 118.392 115.700 0.033 0.000 2.655 392 S HA 0.259 4.656 4.470 -0.122 0.000 0.265 392 S C 0.968 175.581 174.600 0.022 0.000 1.240 392 S CA -0.109 58.107 58.200 0.026 0.000 0.986 392 S CB 1.251 64.467 63.200 0.028 0.000 0.985 392 S HN 0.768 nan 8.310 nan 0.000 0.562 393 T N 1.662 116.227 114.554 0.019 0.000 2.701 393 T HA -0.140 4.137 4.350 -0.122 0.000 0.263 393 T C 2.077 176.787 174.700 0.016 0.000 1.040 393 T CA 1.892 64.002 62.100 0.015 0.000 1.147 393 T CB -0.552 68.326 68.868 0.016 0.000 0.865 393 T HN 0.805 nan 8.240 nan 0.000 0.426 394 Q N 0.935 120.749 119.800 0.023 0.000 2.167 394 Q HA -0.116 4.151 4.340 -0.122 0.000 0.202 394 Q C 2.099 178.115 176.000 0.027 0.000 0.970 394 Q CA 1.532 57.350 55.803 0.025 0.000 0.855 394 Q CB -0.316 28.438 28.738 0.027 0.000 0.911 394 Q HN 0.531 nan 8.270 nan 0.000 0.438 395 E N 1.612 121.835 120.200 0.038 0.000 2.047 395 E HA -0.137 4.140 4.350 -0.122 0.000 0.191 395 E C 2.068 178.669 176.600 0.002 0.000 0.987 395 E CA 1.423 57.858 56.400 0.059 0.000 0.799 395 E CB -0.264 29.488 29.700 0.086 0.000 0.752 395 E HN 0.425 nan 8.360 nan 0.000 0.449 396 A N 0.223 123.040 122.820 -0.005 0.000 1.908 396 A HA -0.169 4.078 4.320 -0.122 0.000 0.218 396 A C 2.450 180.000 177.584 -0.056 0.000 1.181 396 A CA 1.718 53.735 52.037 -0.034 0.000 0.627 396 A CB -0.790 18.202 19.000 -0.013 0.000 0.818 396 A HN 0.236 nan 8.150 nan 0.000 0.445 397 V N -0.370 119.524 119.914 -0.032 0.000 2.427 397 V HA -0.192 3.855 4.120 -0.122 0.000 0.248 397 V C 2.991 179.054 176.094 -0.052 0.000 1.051 397 V CA 1.765 64.047 62.300 -0.029 0.000 1.048 397 V CB -1.086 30.737 31.823 -0.001 0.000 0.666 397 V HN 0.620 nan 8.190 nan 0.000 0.456 398 A N -0.224 122.560 122.820 -0.059 0.000 1.930 398 A HA -0.177 4.070 4.320 -0.122 0.000 0.217 398 A C 2.395 179.845 177.584 -0.225 0.000 1.175 398 A CA 1.485 53.475 52.037 -0.077 0.000 0.627 398 A CB -0.426 18.574 19.000 -0.000 0.000 0.815 398 A HN 0.467 nan 8.150 nan 0.000 0.443 399 R N -0.572 119.709 120.500 -0.364 0.000 2.070 399 R HA -0.105 4.162 4.340 -0.122 0.000 0.233 399 R C 2.547 178.697 176.300 -0.250 0.000 1.137 399 R CA 1.293 57.089 56.100 -0.507 0.000 0.945 399 R CB -0.509 29.533 30.300 -0.429 0.000 0.845 399 R HN 0.500 nan 8.270 nan 0.000 0.430 400 A N 1.161 123.890 122.820 -0.152 0.000 1.917 400 A HA -0.197 4.050 4.320 -0.122 0.000 0.219 400 A C 2.350 179.891 177.584 -0.072 0.000 1.182 400 A CA 1.948 53.932 52.037 -0.088 0.000 0.633 400 A CB -0.697 18.269 19.000 -0.057 0.000 0.819 400 A HN 0.456 nan 8.150 nan 0.000 0.448 401 A N -0.756 122.021 122.820 -0.071 0.000 1.933 401 A HA 0.030 4.277 4.320 -0.122 0.000 0.218 401 A C 2.225 179.781 177.584 -0.047 0.000 1.175 401 A CA 1.765 53.775 52.037 -0.046 0.000 0.628 401 A CB -0.825 18.157 19.000 -0.030 0.000 0.814 401 A HN 0.410 nan 8.150 nan 0.000 0.444 402 V N -0.197 119.674 119.914 -0.073 0.000 2.358 402 V HA -0.227 3.820 4.120 -0.122 0.000 0.246 402 V C 2.512 178.581 176.094 -0.041 0.000 1.047 402 V CA 2.299 64.569 62.300 -0.050 0.000 1.035 402 V CB -0.703 31.091 31.823 -0.049 0.000 0.658 402 V HN 0.742 nan 8.190 nan 0.000 0.452 403 E N 0.432 120.596 120.200 -0.060 0.000 2.085 403 E HA -0.206 4.071 4.350 -0.122 0.000 0.194 403 E C 2.191 178.776 176.600 -0.026 0.000 0.994 403 E CA 2.123 58.500 56.400 -0.039 0.000 0.801 403 E CB -0.291 29.380 29.700 -0.050 0.000 0.743 403 E HN 0.604 nan 8.360 nan 0.000 0.453 404 T N 0.176 114.712 114.554 -0.029 0.000 2.737 404 T HA -0.093 4.184 4.350 -0.122 0.000 0.265 404 T C 1.875 176.565 174.700 -0.017 0.000 1.038 404 T CA 1.255 63.343 62.100 -0.020 0.000 1.144 404 T CB -0.506 68.351 68.868 -0.019 0.000 0.866 404 T HN 0.349 nan 8.240 nan 0.000 0.434 405 A N 1.433 124.241 122.820 -0.020 0.000 1.917 405 A HA -0.167 4.080 4.320 -0.122 0.000 0.219 405 A C 2.357 179.929 177.584 -0.020 0.000 1.182 405 A CA 2.214 54.239 52.037 -0.020 0.000 0.633 405 A CB -0.896 18.089 19.000 -0.025 0.000 0.819 405 A HN 0.449 nan 8.150 nan 0.000 0.448 406 E N -1.266 118.923 120.200 -0.018 0.000 2.072 406 E HA -0.179 4.098 4.350 -0.122 0.000 0.191 406 E C 2.113 178.709 176.600 -0.006 0.000 0.985 406 E CA 1.210 57.603 56.400 -0.012 0.000 0.801 406 E CB -0.918 28.781 29.700 -0.001 0.000 0.750 406 E HN 0.708 nan 8.360 nan 0.000 0.452 407 C N -0.478 118.819 119.300 -0.006 0.000 2.425 407 C HA 0.059 4.446 4.460 -0.122 0.000 0.277 407 C C 2.631 177.619 174.990 -0.004 0.000 1.280 407 C CA 1.185 60.201 59.018 -0.003 0.000 1.744 407 C CB -0.756 26.981 27.740 -0.005 0.000 1.989 407 C HN 0.476 nan 8.230 nan 0.000 0.491 408 V N 0.673 120.583 119.914 -0.006 0.000 3.608 408 V HA 0.107 4.154 4.120 -0.122 0.000 0.269 408 V C 0.663 176.754 176.094 -0.006 0.000 1.245 408 V CA 1.063 63.359 62.300 -0.006 0.000 1.138 408 V CB -0.707 31.112 31.823 -0.006 0.000 0.841 408 V HN 0.738 nan 8.190 nan 0.000 0.451 409 N N 0.404 119.099 118.700 -0.008 0.000 2.738 409 N HA -0.184 4.483 4.740 -0.122 0.000 0.249 409 N C 0.037 175.539 175.510 -0.013 0.000 1.047 409 N CA 0.699 53.743 53.050 -0.010 0.000 0.707 409 N CB -0.931 37.553 38.487 -0.005 0.000 0.937 409 N HN 0.626 nan 8.380 nan 0.000 0.545 410 A N 0.071 122.881 122.820 -0.016 0.000 2.483 410 A HA 0.587 4.834 4.320 -0.122 0.000 0.238 410 A C 1.602 179.174 177.584 -0.020 0.000 1.070 410 A CA 0.437 52.464 52.037 -0.016 0.000 0.770 410 A CB 0.142 19.132 19.000 -0.016 0.000 1.008 410 A HN 0.703 nan 8.150 nan 0.000 0.497 411 A N 2.183 124.994 122.820 -0.016 0.000 1.854 411 A HA 0.311 4.558 4.320 -0.122 0.000 0.214 411 A C 0.931 178.502 177.584 -0.021 0.000 1.192 411 A CA 1.673 53.700 52.037 -0.017 0.000 0.611 411 A CB -0.607 18.386 19.000 -0.012 0.000 0.832 411 A HN 1.396 nan 8.150 nan 0.000 0.442 412 I N -4.347 116.212 120.570 -0.018 0.000 2.969 412 I HA 0.625 4.722 4.170 -0.122 0.000 0.307 412 I C -1.136 174.972 176.117 -0.015 0.000 1.149 412 I CA -1.156 60.133 61.300 -0.019 0.000 1.008 412 I CB 2.130 40.121 38.000 -0.014 0.000 1.232 412 I HN -0.011 nan 8.210 nan 0.000 0.435 413 I N 3.946 124.507 120.570 -0.013 0.000 2.336 413 I HA 0.392 4.489 4.170 -0.122 0.000 0.292 413 I C -0.650 175.466 176.117 -0.001 0.000 0.991 413 I CA -0.585 60.711 61.300 -0.006 0.000 1.227 413 I CB 1.631 39.628 38.000 -0.005 0.000 1.366 413 I HN 0.347 nan 8.210 nan 0.000 0.466 414 L N 6.207 127.433 121.223 0.004 0.000 2.272 414 L HA 0.609 4.876 4.340 -0.122 0.000 0.289 414 L C 0.117 176.994 176.870 0.011 0.000 1.032 414 L CA -0.505 54.339 54.840 0.006 0.000 0.810 414 L CB 1.476 43.540 42.059 0.008 0.000 1.205 414 L HN 0.665 nan 8.230 nan 0.000 0.422 415 A N 5.295 128.118 122.820 0.005 0.000 2.293 415 A HA 0.650 4.897 4.320 -0.122 0.000 0.312 415 A C -0.767 176.805 177.584 -0.020 0.000 1.309 415 A CA -0.522 51.513 52.037 -0.003 0.000 0.839 415 A CB 0.477 19.477 19.000 0.000 0.000 1.155 415 A HN 0.532 nan 8.150 nan 0.000 0.501 416 L N 2.018 123.222 121.223 -0.032 0.000 2.290 416 L HA 0.681 4.948 4.340 -0.122 0.000 0.284 416 L C 0.680 177.421 176.870 -0.215 0.000 1.078 416 L CA 0.660 55.458 54.840 -0.071 0.000 0.815 416 L CB 1.430 43.528 42.059 0.064 0.000 1.162 416 L HN 0.690 nan 8.230 nan 0.000 0.435 417 T N 1.217 115.683 114.554 -0.147 0.000 3.012 417 T HA 0.314 4.591 4.350 -0.122 0.000 0.330 417 T C 0.328 174.988 174.700 -0.067 0.000 1.321 417 T CA -0.353 61.667 62.100 -0.134 0.000 1.067 417 T CB 1.145 69.968 68.868 -0.074 0.000 1.235 417 T HN 0.833 nan 8.240 nan 0.000 0.479 418 E N 1.175 121.344 120.200 -0.052 0.000 2.330 418 E HA 0.070 4.347 4.350 -0.122 0.000 0.200 418 E C 1.408 178.010 176.600 0.004 0.000 0.922 418 E CA 0.689 57.081 56.400 -0.013 0.000 0.935 418 E CB -0.048 29.653 29.700 0.002 0.000 0.917 418 E HN 0.596 nan 8.360 nan 0.000 0.491 419 T N -3.141 111.416 114.554 0.005 0.000 3.051 419 T HA 0.378 4.655 4.350 -0.122 0.000 0.255 419 T C 1.666 176.393 174.700 0.045 0.000 1.085 419 T CA 0.659 62.776 62.100 0.028 0.000 1.109 419 T CB 0.648 69.527 68.868 0.019 0.000 0.921 419 T HN 0.432 nan 8.240 nan 0.000 0.488 420 G N 0.924 109.739 108.800 0.025 0.000 2.213 420 G HA2 -0.342 3.545 3.960 -0.122 0.000 0.236 420 G HA3 -0.342 3.545 3.960 -0.122 0.000 0.236 420 G C 0.841 175.758 174.900 0.028 0.000 0.991 420 G CA 0.617 45.740 45.100 0.039 0.000 0.629 420 G HN 0.576 nan 8.290 nan 0.000 0.517 421 Q N 0.155 119.966 119.800 0.018 0.000 2.112 421 Q HA -0.156 4.111 4.340 -0.122 0.000 0.206 421 Q C 2.580 178.591 176.000 0.018 0.000 0.987 421 Q CA 2.548 58.361 55.803 0.018 0.000 0.858 421 Q CB -0.333 28.412 28.738 0.011 0.000 0.905 421 Q HN 0.592 nan 8.270 nan 0.000 0.420 422 T N 0.457 115.009 114.554 -0.002 0.000 2.746 422 T HA -0.148 4.129 4.350 -0.122 0.000 0.267 422 T C 1.761 176.471 174.700 0.016 0.000 1.039 422 T CA 1.313 63.410 62.100 -0.004 0.000 1.142 422 T CB -0.379 68.458 68.868 -0.052 0.000 0.866 422 T HN 0.468 nan 8.240 nan 0.000 0.444 423 A N 1.617 124.446 122.820 0.015 0.000 1.898 423 A HA -0.072 4.175 4.320 -0.122 0.000 0.216 423 A C 2.398 180.011 177.584 0.048 0.000 1.181 423 A CA 1.256 53.311 52.037 0.030 0.000 0.620 423 A CB -0.462 18.554 19.000 0.028 0.000 0.819 423 A HN 0.370 nan 8.150 nan 0.000 0.442 424 R N -1.331 119.198 120.500 0.049 0.000 2.092 424 R HA -0.049 4.218 4.340 -0.122 0.000 0.231 424 R C 1.904 178.242 176.300 0.064 0.000 1.119 424 R CA 1.107 57.240 56.100 0.054 0.000 0.970 424 R CB -0.383 29.945 30.300 0.047 0.000 0.864 424 R HN 0.399 nan 8.270 nan 0.000 0.440 425 L N 0.692 121.961 121.223 0.076 0.000 2.093 425 L HA -0.092 4.175 4.340 -0.122 0.000 0.208 425 L C 1.999 178.992 176.870 0.205 0.000 1.085 425 L CA 1.514 56.428 54.840 0.124 0.000 0.755 425 L CB -0.338 41.786 42.059 0.107 0.000 0.904 425 L HN 0.128 nan 8.230 nan 0.000 0.435 426 I N -1.075 119.581 120.570 0.143 0.000 2.202 426 I HA -0.267 3.830 4.170 -0.122 0.000 0.242 426 I C 2.508 178.726 176.117 0.169 0.000 1.091 426 I CA 1.178 62.569 61.300 0.151 0.000 1.368 426 I CB -0.513 37.531 38.000 0.074 0.000 1.058 426 I HN 0.208 nan 8.210 nan 0.000 0.410 427 A N 0.608 123.494 122.820 0.110 0.000 1.978 427 A HA -0.272 3.975 4.320 -0.122 0.000 0.220 427 A C 2.362 179.992 177.584 0.077 0.000 1.170 427 A CA 1.848 53.938 52.037 0.089 0.000 0.636 427 A CB -0.607 18.432 19.000 0.066 0.000 0.810 427 A HN 0.398 nan 8.150 nan 0.000 0.448 428 K N -1.437 118.994 120.400 0.051 0.000 2.113 428 K HA -0.199 4.048 4.320 -0.122 0.000 0.208 428 K C 1.178 177.675 176.600 -0.172 0.000 1.047 428 K CA 1.783 58.025 56.287 -0.075 0.000 0.928 428 K CB -0.313 32.108 32.500 -0.133 0.000 0.716 428 K HN 0.570 nan 8.250 nan 0.000 0.446 429 Y N 0.917 121.244 120.300 0.044 0.000 2.529 429 Y HA 0.158 4.638 4.550 -0.117 0.000 0.290 429 Y C -0.097 175.849 175.900 0.078 0.000 1.177 429 Y CA -0.049 58.081 58.100 0.051 0.000 1.305 429 Y CB 0.369 38.852 38.460 0.039 0.000 1.047 429 Y HN -0.036 nan 8.280 nan 0.000 0.522 430 R N -0.569 120.036 120.500 0.175 0.000 3.059 430 R HA -0.160 4.107 4.340 -0.122 0.000 0.251 430 R C -2.982 173.452 176.300 0.224 0.000 0.886 430 R CA 0.029 56.251 56.100 0.202 0.000 0.634 430 R CB -2.050 28.377 30.300 0.212 0.000 1.282 430 R HN 0.267 nan 8.270 nan 0.000 0.487 431 P HA 0.098 nan 4.420 nan 0.000 0.272 431 P C 1.138 178.232 177.300 -0.342 0.000 1.223 431 P CA -0.277 62.798 63.100 -0.042 0.000 0.784 431 P CB 0.513 32.197 31.700 -0.026 0.000 0.923 432 M N -0.726 118.554 119.600 -0.534 0.000 2.229 432 M HA -0.124 4.283 4.480 -0.122 0.000 0.264 432 M C 1.047 177.097 176.300 -0.418 0.000 1.063 432 M CA 1.431 56.221 55.300 -0.850 0.000 1.114 432 M CB -0.522 31.784 32.600 -0.491 0.000 1.387 432 M HN 0.370 nan 8.290 nan 0.000 0.420 433 Q N 1.223 120.887 119.800 -0.226 0.000 2.259 433 Q HA 0.395 4.662 4.340 -0.122 0.000 0.249 433 Q C -2.706 173.244 176.000 -0.083 0.000 0.914 433 Q CA -2.410 53.321 55.803 -0.121 0.000 0.904 433 Q CB -0.332 28.360 28.738 -0.076 0.000 1.213 433 Q HN 0.007 nan 8.270 nan 0.000 0.428 434 P HA 0.148 nan 4.420 nan 0.000 0.268 434 P C -0.582 176.707 177.300 -0.018 0.000 1.204 434 P CA 0.134 63.218 63.100 -0.027 0.000 0.768 434 P CB 0.372 32.061 31.700 -0.019 0.000 0.842 435 I N 3.433 123.999 120.570 -0.005 0.000 2.304 435 I HA 0.168 4.265 4.170 -0.122 0.000 0.291 435 I C 0.188 176.306 176.117 0.002 0.000 1.018 435 I CA -0.639 60.662 61.300 0.002 0.000 1.260 435 I CB 0.723 38.732 38.000 0.016 0.000 1.390 435 I HN 0.148 nan 8.210 nan 0.000 0.475 436 L N 7.811 129.034 121.223 -0.001 0.000 2.270 436 L HA 0.586 4.853 4.340 -0.122 0.000 0.286 436 L C 0.392 177.262 176.870 -0.000 0.000 1.059 436 L CA -0.198 54.641 54.840 -0.002 0.000 0.839 436 L CB 0.344 42.399 42.059 -0.006 0.000 1.221 436 L HN 0.672 nan 8.230 nan 0.000 0.431 437 A N 6.274 129.096 122.820 0.003 0.000 2.409 437 A HA 0.621 4.868 4.320 -0.122 0.000 0.262 437 A C -0.673 176.908 177.584 -0.005 0.000 1.113 437 A CA -0.266 51.772 52.037 0.002 0.000 0.790 437 A CB 0.019 19.025 19.000 0.011 0.000 1.046 437 A HN 0.722 nan 8.150 nan 0.000 0.496 438 L N 2.257 123.473 121.223 -0.012 0.000 2.349 438 L HA 0.672 4.939 4.340 -0.122 0.000 0.278 438 L C 0.124 176.982 176.870 -0.019 0.000 0.996 438 L CA -0.198 54.632 54.840 -0.017 0.000 0.825 438 L CB 1.960 44.007 42.059 -0.021 0.000 1.243 438 L HN 0.651 nan 8.230 nan 0.000 0.412 439 S N 0.790 116.479 115.700 -0.017 0.000 2.556 439 S HA 0.712 5.109 4.470 -0.122 0.000 0.271 439 S C 0.391 174.981 174.600 -0.016 0.000 1.135 439 S CA 0.205 58.395 58.200 -0.016 0.000 0.858 439 S CB 1.997 65.188 63.200 -0.015 0.000 1.114 439 S HN 0.664 nan 8.310 nan 0.000 0.468 440 A N 2.069 124.882 122.820 -0.012 0.000 2.021 440 A HA 0.316 4.563 4.320 -0.122 0.000 0.216 440 A C 1.176 178.747 177.584 -0.022 0.000 1.163 440 A CA 0.707 52.736 52.037 -0.013 0.000 0.676 440 A CB -0.445 18.553 19.000 -0.003 0.000 0.818 440 A HN 0.851 nan 8.150 nan 0.000 0.453 441 S N -0.012 115.674 115.700 -0.024 0.000 2.455 441 S HA 0.425 4.822 4.470 -0.122 0.000 0.278 441 S C 1.230 175.795 174.600 -0.058 0.000 1.216 441 S CA 0.673 58.851 58.200 -0.037 0.000 1.055 441 S CB 0.808 63.992 63.200 -0.027 0.000 0.939 441 S HN 0.620 nan 8.310 nan 0.000 0.494 442 E N 3.774 123.932 120.200 -0.070 0.000 2.077 442 E HA -0.145 4.132 4.350 -0.122 0.000 0.193 442 E C 2.223 178.740 176.600 -0.138 0.000 0.989 442 E CA 1.889 58.238 56.400 -0.084 0.000 0.800 442 E CB -1.228 28.425 29.700 -0.078 0.000 0.746 442 E HN 0.987 nan 8.360 nan 0.000 0.452 443 S N -0.322 115.267 115.700 -0.185 0.000 2.368 443 S HA -0.158 4.239 4.470 -0.122 0.000 0.224 443 S C 2.359 176.611 174.600 -0.581 0.000 1.029 443 S CA 1.729 59.696 58.200 -0.388 0.000 0.988 443 S CB -0.716 62.305 63.200 -0.299 0.000 0.838 443 S HN 0.497 nan 8.310 nan 0.000 0.462 444 T N 2.970 117.377 114.554 -0.246 0.000 2.635 444 T HA -0.027 4.250 4.350 -0.122 0.000 0.267 444 T C 1.702 176.377 174.700 -0.042 0.000 1.040 444 T CA 1.811 63.874 62.100 -0.062 0.000 1.156 444 T CB -0.676 68.198 68.868 0.010 0.000 0.863 444 T HN 0.386 nan 8.240 nan 0.000 0.430 445 I N 0.561 121.097 120.570 -0.057 0.000 2.185 445 I HA -0.262 3.835 4.170 -0.122 0.000 0.246 445 I C 2.505 178.621 176.117 -0.002 0.000 1.088 445 I CA 1.613 62.901 61.300 -0.021 0.000 1.347 445 I CB -0.222 37.762 38.000 -0.028 0.000 1.041 445 I HN 0.197 nan 8.210 nan 0.000 0.415 446 K N -0.796 119.565 120.400 -0.066 0.000 2.167 446 K HA -0.069 4.178 4.320 -0.122 0.000 0.203 446 K C 2.004 178.676 176.600 0.120 0.000 1.052 446 K CA 0.900 57.183 56.287 -0.006 0.000 0.956 446 K CB -0.196 32.262 32.500 -0.070 0.000 0.735 446 K HN 0.474 nan 8.250 nan 0.000 0.451 447 H N 0.370 119.454 119.070 0.024 0.000 2.422 447 H HA -0.076 4.405 4.556 -0.126 0.000 0.298 447 H C 1.602 177.087 175.328 0.262 0.000 1.098 447 H CA 0.738 56.843 56.048 0.096 0.000 1.315 447 H CB 0.067 29.811 29.762 -0.030 0.000 1.382 447 H HN 0.044 nan 8.280 nan 0.000 0.523 448 L N 0.895 122.274 121.223 0.260 0.000 2.599 448 L HA -0.075 4.192 4.340 -0.122 0.000 0.230 448 L C 1.435 178.396 176.870 0.152 0.000 1.141 448 L CA 0.044 54.990 54.840 0.178 0.000 0.877 448 L CB 0.064 42.188 42.059 0.108 0.000 1.009 448 L HN 0.296 nan 8.230 nan 0.000 0.447 449 Q N -0.588 119.323 119.800 0.186 0.000 2.515 449 Q HA -0.006 4.261 4.340 -0.122 0.000 0.212 449 Q C 1.771 177.834 176.000 0.104 0.000 0.970 449 Q CA 0.707 56.592 55.803 0.138 0.000 0.941 449 Q CB 0.290 29.121 28.738 0.156 0.000 0.998 449 Q HN 0.322 nan 8.270 nan 0.000 0.518 450 V N 0.255 120.235 119.914 0.111 0.000 3.528 450 V HA 0.089 4.136 4.120 -0.122 0.000 0.294 450 V C 0.137 176.251 176.094 0.034 0.000 1.404 450 V CA 0.135 62.444 62.300 0.015 0.000 1.065 450 V CB 0.564 32.312 31.823 -0.125 0.000 0.904 450 V HN 0.096 nan 8.190 nan 0.000 0.435 451 I N 1.658 122.269 120.570 0.068 0.000 2.304 451 I HA 0.349 4.446 4.170 -0.122 0.000 0.291 451 I C 0.697 176.847 176.117 0.054 0.000 1.018 451 I CA -0.165 61.171 61.300 0.060 0.000 1.260 451 I CB 0.822 38.865 38.000 0.072 0.000 1.390 451 I HN 0.168 nan 8.210 nan 0.000 0.475 452 R N 3.917 124.449 120.500 0.052 0.000 2.585 452 R HA 0.182 4.449 4.340 -0.122 0.000 0.275 452 R C 1.145 177.483 176.300 0.063 0.000 1.018 452 R CA 1.331 57.469 56.100 0.062 0.000 1.072 452 R CB 0.354 30.695 30.300 0.069 0.000 0.953 452 R HN 0.982 nan 8.270 nan 0.000 0.419 453 G N 2.253 111.088 108.800 0.059 0.000 2.234 453 G HA2 -0.270 3.617 3.960 -0.122 0.000 0.260 453 G HA3 -0.270 3.617 3.960 -0.122 0.000 0.260 453 G C -0.107 174.811 174.900 0.030 0.000 0.987 453 G CA 0.187 45.317 45.100 0.050 0.000 0.625 453 G HN 0.525 nan 8.290 nan 0.000 0.532 454 V N 2.386 122.319 119.914 0.032 0.000 2.465 454 V HA 0.684 4.731 4.120 -0.122 0.000 0.279 454 V C 0.839 176.943 176.094 0.016 0.000 1.045 454 V CA 0.370 62.686 62.300 0.027 0.000 0.938 454 V CB 1.376 33.224 31.823 0.040 0.000 0.986 454 V HN 0.760 nan 8.190 nan 0.000 0.467 455 T N 0.869 115.427 114.554 0.007 0.000 2.942 455 T HA 0.668 4.945 4.350 -0.122 0.000 0.289 455 T C -0.325 174.379 174.700 0.008 0.000 1.044 455 T CA -0.686 61.416 62.100 0.003 0.000 1.023 455 T CB 2.022 70.883 68.868 -0.011 0.000 1.123 455 T HN 0.577 nan 8.240 nan 0.000 0.512 456 T N 1.041 115.600 114.554 0.008 0.000 2.924 456 T HA 0.712 4.989 4.350 -0.122 0.000 0.291 456 T C -1.356 173.344 174.700 0.000 0.000 1.045 456 T CA -0.919 61.186 62.100 0.008 0.000 1.015 456 T CB 1.278 70.156 68.868 0.017 0.000 1.103 456 T HN 0.808 nan 8.240 nan 0.000 0.496 457 M N 3.398 122.995 119.600 -0.004 0.000 2.255 457 M HA 0.351 4.758 4.480 -0.122 0.000 0.275 457 M C -1.237 175.055 176.300 -0.013 0.000 1.050 457 M CA -0.569 54.726 55.300 -0.009 0.000 0.978 457 M CB 2.017 34.610 32.600 -0.012 0.000 1.761 457 M HN 0.655 nan 8.290 nan 0.000 0.479 458 Q N 3.124 122.916 119.800 -0.013 0.000 2.304 458 Q HA 0.523 4.790 4.340 -0.122 0.000 0.260 458 Q C -1.723 174.265 176.000 -0.020 0.000 0.965 458 Q CA -0.224 55.569 55.803 -0.017 0.000 0.898 458 Q CB 1.259 29.987 28.738 -0.017 0.000 1.196 458 Q HN 0.662 nan 8.270 nan 0.000 0.402 459 V N 6.317 126.218 119.914 -0.022 0.000 2.628 459 V HA 0.232 4.279 4.120 -0.122 0.000 0.306 459 V C -1.806 174.276 176.094 -0.021 0.000 1.045 459 V CA -1.488 60.796 62.300 -0.026 0.000 0.905 459 V CB 1.755 33.556 31.823 -0.035 0.000 0.997 459 V HN 0.850 nan 8.190 nan 0.000 0.436 460 P HA -0.065 nan 4.420 nan 0.000 0.218 460 P C 0.681 177.976 177.300 -0.008 0.000 1.149 460 P CA 1.477 64.569 63.100 -0.014 0.000 0.817 460 P CB 0.028 31.720 31.700 -0.013 0.000 0.785 468 V N 2.404 121.936 119.914 -0.638 0.000 2.970 468 V HA 0.115 4.162 4.120 -0.122 0.000 0.260 468 V C 2.701 178.689 176.094 -0.177 0.000 1.100 468 V CA 2.036 64.099 62.300 -0.396 0.000 1.122 468 V CB -0.956 30.576 31.823 -0.486 0.000 0.721 468 V HN 0.335 nan 8.190 nan 0.000 0.483 469 I N -0.390 120.115 120.570 -0.110 0.000 2.202 469 I HA -0.211 3.886 4.170 -0.122 0.000 0.242 469 I C 2.852 178.961 176.117 -0.014 0.000 1.091 469 I CA 1.689 62.974 61.300 -0.025 0.000 1.368 469 I CB -0.356 37.661 38.000 0.029 0.000 1.058 469 I HN 0.357 nan 8.210 nan 0.000 0.410 470 R N 1.027 121.526 120.500 -0.002 0.000 2.096 470 R HA -0.174 4.093 4.340 -0.122 0.000 0.235 470 R C 2.211 178.506 176.300 -0.009 0.000 1.127 470 R CA 1.871 57.972 56.100 0.002 0.000 0.968 470 R CB -1.981 28.328 30.300 0.014 0.000 0.861 470 R HN 0.719 nan 8.270 nan 0.000 0.440 471 N N -0.433 118.254 118.700 -0.020 0.000 2.354 471 N HA 0.119 4.786 4.740 -0.122 0.000 0.179 471 N C 2.078 177.574 175.510 -0.024 0.000 1.021 471 N CA 1.244 54.280 53.050 -0.023 0.000 0.887 471 N CB -0.535 37.934 38.487 -0.030 0.000 0.974 471 N HN 0.646 nan 8.380 nan 0.000 0.437 472 A N 0.554 123.357 122.820 -0.029 0.000 1.929 472 A HA 0.317 4.564 4.320 -0.122 0.000 0.216 472 A C 2.679 180.253 177.584 -0.016 0.000 1.176 472 A CA 1.895 53.918 52.037 -0.024 0.000 0.628 472 A CB -0.809 18.175 19.000 -0.028 0.000 0.816 472 A HN 1.029 nan 8.150 nan 0.000 0.444 473 I N -0.602 119.961 120.570 -0.012 0.000 2.546 473 I HA 0.232 4.329 4.170 -0.122 0.000 0.255 473 I C 2.576 178.688 176.117 -0.008 0.000 1.163 473 I CA 1.911 63.206 61.300 -0.008 0.000 1.457 473 I CB -1.747 36.251 38.000 -0.004 0.000 1.092 473 I HN 0.442 nan 8.210 nan 0.000 0.434 474 V N -0.075 119.833 119.914 -0.009 0.000 2.970 474 V HA 0.221 4.268 4.120 -0.122 0.000 0.260 474 V C 2.442 178.530 176.094 -0.010 0.000 1.100 474 V CA 2.611 64.905 62.300 -0.009 0.000 1.122 474 V CB -0.884 30.934 31.823 -0.008 0.000 0.721 474 V HN 0.857 nan 8.190 nan 0.000 0.483 475 V N -1.550 118.357 119.914 -0.012 0.000 3.263 475 V HA 0.476 4.523 4.120 -0.122 0.000 0.248 475 V C 2.487 178.573 176.094 -0.013 0.000 1.145 475 V CA 1.787 64.079 62.300 -0.013 0.000 1.107 475 V CB -0.184 31.630 31.823 -0.014 0.000 0.797 475 V HN 0.488 nan 8.190 nan 0.000 0.467 476 A N 0.917 123.730 122.820 -0.013 0.000 1.930 476 A HA -0.009 4.238 4.320 -0.122 0.000 0.217 476 A C 2.447 180.023 177.584 -0.013 0.000 1.175 476 A CA 2.535 54.564 52.037 -0.013 0.000 0.627 476 A CB -0.649 18.344 19.000 -0.012 0.000 0.815 476 A HN 0.799 nan 8.150 nan 0.000 0.443 477 K N -0.911 119.483 120.400 -0.011 0.000 2.147 477 K HA -0.020 4.228 4.320 -0.122 0.000 0.205 477 K C 2.043 178.636 176.600 -0.012 0.000 1.049 477 K CA 2.148 58.429 56.287 -0.010 0.000 0.936 477 K CB -1.524 30.971 32.500 -0.008 0.000 0.722 477 K HN 0.801 nan 8.250 nan 0.000 0.446 478 E N 0.119 120.312 120.200 -0.012 0.000 2.107 478 E HA -0.013 4.264 4.350 -0.122 0.000 0.191 478 E C 2.257 178.848 176.600 -0.015 0.000 0.982 478 E CA 1.396 57.789 56.400 -0.013 0.000 0.809 478 E CB -0.906 28.787 29.700 -0.012 0.000 0.756 478 E HN 0.776 nan 8.360 nan 0.000 0.459 479 R N -0.594 119.896 120.500 -0.017 0.000 2.325 479 R HA 0.494 4.761 4.340 -0.122 0.000 0.214 479 R C 1.735 178.022 176.300 -0.023 0.000 0.961 479 R CA 2.013 58.101 56.100 -0.020 0.000 1.086 479 R CB -1.512 28.776 30.300 -0.020 0.000 1.037 479 R HN 1.478 nan 8.270 nan 0.000 0.493 480 E N -3.596 116.592 120.200 -0.020 0.000 3.370 480 E HA -0.199 4.078 4.350 -0.122 0.000 0.291 480 E C 1.578 178.166 176.600 -0.019 0.000 0.916 480 E CA 1.944 58.331 56.400 -0.020 0.000 0.981 480 E CB -2.811 26.874 29.700 -0.025 0.000 1.498 480 E HN 1.702 nan 8.360 nan 0.000 0.452 481 L N -1.857 119.355 121.223 -0.018 0.000 2.095 481 L HA 0.748 5.015 4.340 -0.122 0.000 0.204 481 L C 2.225 179.087 176.870 -0.013 0.000 1.080 481 L CA 2.835 57.665 54.840 -0.017 0.000 0.759 481 L CB -0.794 41.255 42.059 -0.017 0.000 0.914 481 L HN 1.994 nan 8.230 nan 0.000 0.439 485 G N 1.517 110.316 108.800 -0.002 0.000 2.234 485 G HA2 -0.210 3.677 3.960 -0.122 0.000 0.235 485 G HA3 -0.210 3.677 3.960 -0.122 0.000 0.235 485 G C 0.426 175.325 174.900 -0.002 0.000 0.997 485 G CA 0.315 45.414 45.100 -0.002 0.000 0.623 485 G HN 0.831 nan 8.290 nan 0.000 0.514 486 E N 0.987 121.185 120.200 -0.003 0.000 2.392 486 E HA 0.541 4.818 4.350 -0.122 0.000 0.259 486 E C 0.187 176.785 176.600 -0.003 0.000 1.108 486 E CA 0.245 56.642 56.400 -0.004 0.000 0.916 486 E CB 0.756 30.453 29.700 -0.005 0.000 0.989 486 E HN 0.211 nan 8.360 nan 0.000 0.432 487 S N 0.704 116.401 115.700 -0.004 0.000 2.585 487 S HA 0.468 4.865 4.470 -0.122 0.000 0.277 487 S C -0.526 174.071 174.600 -0.005 0.000 1.241 487 S CA -0.654 57.543 58.200 -0.004 0.000 1.041 487 S CB 0.906 64.103 63.200 -0.004 0.000 0.987 487 S HN 0.245 nan 8.310 nan 0.000 0.512 488 I N 2.319 122.887 120.570 -0.003 0.000 2.533 488 I HA 0.425 4.522 4.170 -0.122 0.000 0.290 488 I C -0.561 175.556 176.117 0.000 0.000 1.056 488 I CA -0.762 60.537 61.300 -0.003 0.000 1.057 488 I CB 1.589 39.589 38.000 -0.001 0.000 1.240 488 I HN 0.534 nan 8.210 nan 0.000 0.423 489 V N 4.512 124.425 119.914 -0.001 0.000 2.370 489 V HA 0.827 4.874 4.120 -0.122 0.000 0.283 489 V C 0.491 176.590 176.094 0.009 0.000 1.023 489 V CA -0.337 61.964 62.300 0.002 0.000 0.857 489 V CB 1.453 33.273 31.823 -0.004 0.000 0.985 489 V HN 1.013 nan 8.190 nan 0.000 0.443 490 A N 4.703 127.534 122.820 0.018 0.000 2.350 490 A HA 0.906 5.153 4.320 -0.122 0.000 0.324 490 A C -0.791 176.819 177.584 0.044 0.000 1.118 490 A CA -0.635 51.421 52.037 0.031 0.000 0.783 490 A CB 1.933 20.958 19.000 0.041 0.000 1.236 490 A HN 1.199 nan 8.150 nan 0.000 0.457 491 V N 2.202 122.147 119.914 0.052 0.000 2.760 491 V HA 0.717 4.764 4.120 -0.122 0.000 0.309 491 V C -1.452 174.699 176.094 0.095 0.000 1.077 491 V CA -0.452 61.886 62.300 0.064 0.000 0.910 491 V CB 1.882 33.723 31.823 0.031 0.000 1.008 491 V HN 1.123 nan 8.190 nan 0.000 0.424 492 H N 3.485 122.571 119.070 0.027 0.000 2.609 492 H HA 0.844 5.328 4.556 -0.119 0.000 0.344 492 H C 0.005 175.348 175.328 0.026 0.000 1.040 492 H CA 0.453 56.521 56.048 0.033 0.000 1.216 492 H CB 2.007 31.799 29.762 0.049 0.000 1.529 492 H HN 1.125 nan 8.280 nan 0.000 0.519 504 L N 1.249 122.519 121.223 0.079 0.000 2.409 504 L HA 0.965 5.232 4.340 -0.122 0.000 0.262 504 L C -1.405 175.501 176.870 0.060 0.000 0.992 504 L CA -0.881 53.996 54.840 0.061 0.000 0.817 504 L CB 2.172 44.267 42.059 0.060 0.000 1.350 504 L HN 0.779 nan 8.230 nan 0.000 0.411 505 L N 3.622 124.867 121.223 0.035 0.000 2.408 505 L HA 0.651 4.918 4.340 -0.122 0.000 0.268 505 L C -1.188 175.696 176.870 0.023 0.000 0.986 505 L CA -0.497 54.360 54.840 0.027 0.000 0.820 505 L CB 1.710 43.775 42.059 0.010 0.000 1.303 505 L HN 0.686 nan 8.230 nan 0.000 0.411 506 K N 3.556 123.971 120.400 0.025 0.000 2.422 506 K HA 0.619 4.866 4.320 -0.122 0.000 0.251 506 K C -1.680 174.928 176.600 0.014 0.000 0.933 506 K CA -0.787 55.513 56.287 0.021 0.000 0.798 506 K CB 2.870 35.388 32.500 0.030 0.000 1.238 506 K HN 0.281 nan 8.250 nan 0.000 0.428 507 V N 3.280 123.199 119.914 0.009 0.000 2.378 507 V HA 0.377 4.424 4.120 -0.122 0.000 0.288 507 V C -0.290 175.808 176.094 0.006 0.000 1.016 507 V CA -0.834 61.469 62.300 0.005 0.000 0.840 507 V CB 1.220 33.044 31.823 0.001 0.000 0.994 507 V HN 0.466 nan 8.190 nan 0.000 0.431 508 L N 2.609 123.836 121.223 0.007 0.000 2.286 508 L HA 0.829 5.096 4.340 -0.122 0.000 0.265 508 L C 0.339 177.211 176.870 0.003 0.000 1.012 508 L CA -0.603 54.241 54.840 0.007 0.000 0.818 508 L CB 1.835 43.900 42.059 0.010 0.000 1.337 508 L HN 0.827 nan 8.230 nan 0.000 0.438 509 T N -0.646 113.909 114.554 0.003 0.000 2.890 509 T HA 0.682 4.959 4.350 -0.122 0.000 0.295 509 T C -0.395 174.306 174.700 0.001 0.000 0.993 509 T CA -0.104 61.996 62.100 0.001 0.000 0.979 509 T CB 0.840 69.708 68.868 0.000 0.000 0.967 509 T HN 1.168 nan 8.240 nan 0.000 0.441 510 V N 3.072 122.986 119.914 -0.000 0.000 2.763 510 V HA 0.661 4.708 4.120 -0.122 0.000 0.306 510 V C 0.678 176.772 176.094 -0.001 0.000 1.059 510 V CA 0.654 62.954 62.300 -0.001 0.000 1.138 510 V CB -0.496 31.326 31.823 -0.002 0.000 0.940 510 V HN 1.212 nan 8.190 nan 0.000 0.489 511 E N 0.000 120.200 120.200 -0.000 0.000 2.725 511 E HA 0.000 4.277 4.350 -0.122 0.000 0.291 511 E CA 0.000 56.400 56.400 -0.001 0.000 0.976 511 E CB 0.000 29.700 29.700 0.000 0.000 0.812 511 E HN 0.000 nan 8.360 nan 0.000 0.440