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 3aer_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKLTLWTYEG PPHVGAMRVA TAMKDLQLVL HGPQGDTYAD LLFTMIERRN DATA SEQUENCE ARPPVSFSTF EASHMGTDTA ILLKDALAAA HARYKPQAMA VALTCTAELL DATA SEQUENCE QDDPNGISRA LNLPVPVVPL ELPSYSRKEN YGADETFRAL VRALAVPMER DATA SEQUENCE TPEVTCNLLG ATALGFRHRD DVAEVTKLLA TMGIKVNVCA PLGASPDDLR DATA SEQUENCE KLGQAHFNVL MYPETGESAA RHLERACKQP FTKIVPIGVG ATRDFLAEVS DATA SEQUENCE KITGLPVVTD ESTLRQPWWS ASVDSTYLTG KRVFIFGDGT HVIAAARIAA DATA SEQUENCE KEVGFEVVGM GCYNREMARP LRTAAAEYGL EALITDDYLE VEKAIEAAAP DATA SEQUENCE ELILGTQMER NIAKKLGLPC AVISAPVHVQ DFPARYAPQM GFEGANVLFD DATA SEQUENCE TWVHPLVMGL EEHLLTMFRE D 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.328 176.300 0.046 0.000 1.140 1 M CA 0.000 55.329 55.300 0.048 0.000 0.988 1 M CB 0.000 32.624 32.600 0.040 0.000 1.302 2 K N 2.867 123.300 120.400 0.054 0.000 2.274 2 K HA 0.531 4.851 4.320 0.000 0.000 0.262 2 K C -0.963 175.668 176.600 0.052 0.000 0.961 2 K CA -0.825 55.494 56.287 0.053 0.000 0.833 2 K CB 2.392 34.930 32.500 0.062 0.000 1.102 2 K HN 0.629 nan 8.250 nan 0.000 0.436 3 L N 3.574 124.826 121.223 0.049 0.000 2.433 3 L HA 0.211 4.551 4.340 0.000 0.000 0.275 3 L C -1.013 175.898 176.870 0.068 0.000 1.128 3 L CA 0.901 55.770 54.840 0.049 0.000 0.875 3 L CB 0.340 42.423 42.059 0.040 0.000 1.171 3 L HN 0.572 nan 8.230 nan 0.000 0.463 4 T N 6.560 121.150 114.554 0.060 0.000 2.848 4 T HA 0.374 4.724 4.350 0.000 0.000 0.285 4 T C 0.367 175.094 174.700 0.045 0.000 0.995 4 T CA -0.377 61.764 62.100 0.068 0.000 0.970 4 T CB 2.462 71.349 68.868 0.032 0.000 0.976 4 T HN 0.651 nan 8.240 nan 0.000 0.441 5 L N 2.116 123.386 121.223 0.078 0.000 2.924 5 L HA 0.602 4.942 4.340 0.000 0.000 0.172 5 L C -0.038 176.779 176.870 -0.090 0.000 1.292 5 L CA -0.044 54.795 54.840 -0.002 0.000 0.870 5 L CB 0.023 42.098 42.059 0.025 0.000 1.305 5 L HN 0.700 nan 8.230 nan 0.000 0.535 6 W N 1.808 122.856 121.300 -0.421 0.000 2.272 6 W HA 0.420 5.080 4.660 0.000 0.000 0.318 6 W C -0.934 175.388 176.519 -0.327 0.000 1.255 6 W CA -0.045 56.990 57.345 -0.517 0.000 1.200 6 W CB 0.937 29.845 29.460 -0.921 0.000 1.170 6 W HN 0.231 nan 8.180 nan 0.000 0.549 7 T N 5.259 119.129 114.554 -1.139 0.000 2.841 7 T HA 0.267 4.617 4.350 0.000 0.000 0.285 7 T C 0.284 174.288 174.700 -1.160 0.000 0.991 7 T CA -0.358 61.264 62.100 -0.798 0.000 0.966 7 T CB 0.783 69.386 68.868 -0.440 0.000 0.962 7 T HN 0.396 nan 8.240 nan 0.000 0.438 8 Y N 2.653 122.628 120.300 -0.543 0.000 2.220 8 Y HA 0.187 4.737 4.550 0.000 0.000 0.291 8 Y C 1.500 177.061 175.900 -0.565 0.000 1.129 8 Y CA 0.709 58.457 58.100 -0.587 0.000 1.161 8 Y CB 0.349 38.370 38.460 -0.732 0.000 0.997 8 Y HN 0.592 nan 8.280 nan 0.000 0.522 9 E N -1.162 118.925 120.200 -0.189 0.000 2.235 9 E HA 0.435 4.786 4.350 0.000 0.000 0.265 9 E C 0.066 176.575 176.600 -0.151 0.000 0.940 9 E CA -0.582 55.754 56.400 -0.107 0.000 0.819 9 E CB 1.565 31.300 29.700 0.059 0.000 1.206 9 E HN 0.190 nan 8.360 nan 0.000 0.409 10 G N 1.203 109.925 108.800 -0.131 0.000 2.535 10 G HA2 0.338 4.298 3.960 0.000 0.000 0.282 10 G HA3 0.338 4.298 3.960 0.000 0.000 0.282 10 G C -2.325 172.513 174.900 -0.104 0.000 1.350 10 G CA -0.986 44.036 45.100 -0.130 0.000 1.039 10 G HN 0.309 nan 8.290 nan 0.000 0.509 11 P HA 0.198 nan 4.420 nan 0.000 0.274 11 P C -2.177 175.035 177.300 -0.147 0.000 1.237 11 P CA -1.292 61.723 63.100 -0.141 0.000 0.793 11 P CB 1.410 33.008 31.700 -0.169 0.000 0.977 12 P HA -0.219 nan 4.420 nan 0.000 0.216 12 P C 1.671 178.982 177.300 0.018 0.000 1.153 12 P CA 1.759 64.892 63.100 0.055 0.000 0.858 12 P CB -0.727 31.070 31.700 0.162 0.000 0.789 13 H N -1.146 117.953 119.070 0.048 0.000 2.422 13 H HA -0.060 4.496 4.556 0.000 0.000 0.298 13 H C 1.614 176.957 175.328 0.025 0.000 1.098 13 H CA 1.079 57.141 56.048 0.024 0.000 1.315 13 H CB -1.190 28.583 29.762 0.019 0.000 1.382 13 H HN -0.049 nan 8.280 nan 0.000 0.523 14 V N 1.735 121.431 119.914 -0.363 0.000 2.407 14 V HA -0.203 3.917 4.120 0.000 0.000 0.248 14 V C 3.066 179.171 176.094 0.018 0.000 1.055 14 V CA 1.807 64.029 62.300 -0.130 0.000 1.049 14 V CB -1.063 30.646 31.823 -0.190 0.000 0.662 14 V HN 0.722 nan 8.190 nan 0.000 0.455 15 G N -0.427 108.368 108.800 -0.009 0.000 2.440 15 G HA2 -0.264 3.696 3.960 0.000 0.000 0.218 15 G HA3 -0.264 3.696 3.960 0.000 0.000 0.218 15 G C 1.791 176.713 174.900 0.037 0.000 1.154 15 G CA 1.090 46.206 45.100 0.028 0.000 0.767 15 G HN 0.620 nan 8.290 nan 0.000 0.552 16 A N 0.807 123.645 122.820 0.030 0.000 1.908 16 A HA -0.071 4.249 4.320 0.000 0.000 0.218 16 A C 2.486 180.064 177.584 -0.009 0.000 1.181 16 A CA 2.033 54.079 52.037 0.015 0.000 0.627 16 A CB -0.385 18.627 19.000 0.020 0.000 0.818 16 A HN 0.418 nan 8.150 nan 0.000 0.445 17 M N -1.703 117.900 119.600 0.006 0.000 2.175 17 M HA -0.129 4.351 4.480 0.000 0.000 0.264 17 M C 2.354 178.606 176.300 -0.080 0.000 1.063 17 M CA 1.593 56.839 55.300 -0.091 0.000 1.119 17 M CB -0.398 32.169 32.600 -0.055 0.000 1.377 17 M HN 0.330 nan 8.290 nan 0.000 0.415 18 R N 0.179 120.779 120.500 0.167 0.000 2.103 18 R HA -0.138 4.202 4.340 0.000 0.000 0.242 18 R C 2.140 178.473 176.300 0.056 0.000 1.142 18 R CA 1.511 57.742 56.100 0.218 0.000 0.960 18 R CB -0.493 29.893 30.300 0.142 0.000 0.858 18 R HN 0.220 nan 8.270 nan 0.000 0.439 19 V N 0.051 119.971 119.914 0.009 0.000 2.323 19 V HA -0.171 3.950 4.120 0.000 0.000 0.244 19 V C 2.280 178.347 176.094 -0.045 0.000 1.041 19 V CA 1.880 64.169 62.300 -0.018 0.000 1.025 19 V CB -0.629 31.205 31.823 0.017 0.000 0.656 19 V HN 0.451 nan 8.190 nan 0.000 0.451 20 A N -0.073 122.702 122.820 -0.076 0.000 1.930 20 A HA -0.193 4.128 4.320 0.000 0.000 0.217 20 A C 2.354 179.845 177.584 -0.155 0.000 1.175 20 A CA 2.387 54.357 52.037 -0.111 0.000 0.627 20 A CB -0.881 18.035 19.000 -0.139 0.000 0.815 20 A HN 0.508 nan 8.150 nan 0.000 0.443 21 T N 0.112 114.529 114.554 -0.228 0.000 2.951 21 T HA 0.128 4.478 4.350 0.000 0.000 0.268 21 T C 2.098 176.730 174.700 -0.113 0.000 1.073 21 T CA 1.048 62.987 62.100 -0.268 0.000 1.134 21 T CB -0.257 68.273 68.868 -0.564 0.000 0.884 21 T HN 0.557 nan 8.240 nan 0.000 0.479 22 A N 0.929 123.715 122.820 -0.057 0.000 2.015 22 A HA 0.166 4.486 4.320 0.000 0.000 0.219 22 A C 1.373 178.942 177.584 -0.026 0.000 1.163 22 A CA 0.888 52.917 52.037 -0.014 0.000 0.646 22 A CB -0.426 18.568 19.000 -0.011 0.000 0.806 22 A HN 0.421 nan 8.150 nan 0.000 0.448 23 M N -0.895 118.679 119.600 -0.044 0.000 2.336 23 M HA 0.413 4.893 4.480 0.000 0.000 0.256 23 M C -0.283 175.991 176.300 -0.043 0.000 1.176 23 M CA -0.397 54.883 55.300 -0.032 0.000 0.948 23 M CB 1.118 33.704 32.600 -0.023 0.000 1.393 23 M HN 0.301 nan 8.290 nan 0.000 0.528 24 K N -1.098 119.283 120.400 -0.032 0.000 2.508 24 K HA 0.447 4.767 4.320 0.000 0.000 0.260 24 K C -1.222 175.359 176.600 -0.033 0.000 0.949 24 K CA -0.869 55.394 56.287 -0.040 0.000 0.834 24 K CB 1.682 34.167 32.500 -0.026 0.000 1.365 24 K HN 0.639 nan 8.250 nan 0.000 0.437 25 D N 0.166 120.541 120.400 -0.042 0.000 2.981 25 D HA -0.181 4.459 4.640 0.000 0.000 0.223 25 D C -0.955 175.327 176.300 -0.030 0.000 1.151 25 D CA 1.069 55.051 54.000 -0.031 0.000 0.827 25 D CB -0.828 39.964 40.800 -0.014 0.000 1.101 25 D HN 0.546 nan 8.370 nan 0.000 0.426 26 L N 0.543 121.737 121.223 -0.048 0.000 2.376 26 L HA 0.284 4.624 4.340 0.000 0.000 0.275 26 L C -0.558 176.266 176.870 -0.076 0.000 0.987 26 L CA -0.547 54.266 54.840 -0.044 0.000 0.828 26 L CB 1.511 43.550 42.059 -0.032 0.000 1.249 26 L HN -0.261 nan 8.230 nan 0.000 0.409 27 Q N 3.944 123.709 119.800 -0.059 0.000 2.243 27 Q HA 0.420 4.760 4.340 0.000 0.000 0.252 27 Q C -1.077 174.879 176.000 -0.073 0.000 0.909 27 Q CA -0.508 55.246 55.803 -0.080 0.000 0.922 27 Q CB 2.380 31.100 28.738 -0.030 0.000 1.215 27 Q HN 0.589 nan 8.270 nan 0.000 0.427 28 L N 2.553 123.709 121.223 -0.111 0.000 2.313 28 L HA 0.477 4.817 4.340 0.000 0.000 0.283 28 L C -1.294 175.488 176.870 -0.147 0.000 1.013 28 L CA -0.587 54.182 54.840 -0.118 0.000 0.816 28 L CB 1.755 43.730 42.059 -0.141 0.000 1.236 28 L HN 0.299 nan 8.230 nan 0.000 0.419 29 V N 6.800 126.641 119.914 -0.123 0.000 2.384 29 V HA 0.456 4.576 4.120 0.000 0.000 0.287 29 V C -0.104 175.883 176.094 -0.179 0.000 1.020 29 V CA -0.420 61.799 62.300 -0.134 0.000 0.850 29 V CB 1.484 33.275 31.823 -0.053 0.000 0.987 29 V HN 0.652 nan 8.190 nan 0.000 0.436 30 L N 4.614 125.636 121.223 -0.334 0.000 2.322 30 L HA 0.508 4.848 4.340 0.000 0.000 0.281 30 L C 0.052 176.828 176.870 -0.157 0.000 1.014 30 L CA -0.525 54.089 54.840 -0.376 0.000 0.815 30 L CB 1.466 43.015 42.059 -0.849 0.000 1.247 30 L HN 0.631 nan 8.230 nan 0.000 0.421 31 H N 3.164 122.177 119.070 -0.095 0.000 2.782 31 H HA 0.525 5.081 4.556 0.000 0.000 0.285 31 H C -0.346 175.064 175.328 0.136 0.000 1.093 31 H CA -0.150 55.948 56.048 0.084 0.000 1.410 31 H CB 0.893 30.736 29.762 0.135 0.000 1.439 31 H HN 0.774 nan 8.280 nan 0.000 0.469 32 G N 5.310 114.067 108.800 -0.073 0.000 2.523 32 G HA2 0.177 4.137 3.960 0.000 0.000 0.291 32 G HA3 0.177 4.137 3.960 0.000 0.000 0.291 32 G C -3.332 171.015 174.900 -0.923 0.000 1.450 32 G CA -1.044 43.888 45.100 -0.280 0.000 0.790 32 G HN 0.318 nan 8.290 nan 0.000 0.496 33 P HA 0.207 nan 4.420 nan 0.000 0.276 33 P C -0.382 176.613 177.300 -0.509 0.000 1.261 33 P CA -0.370 62.164 63.100 -0.942 0.000 0.800 33 P CB 0.991 32.431 31.700 -0.434 0.000 1.066 34 Q N -0.336 119.241 119.800 -0.371 0.000 2.349 34 Q HA 0.215 4.555 4.340 0.000 0.000 0.287 34 Q C 1.035 176.893 176.000 -0.237 0.000 1.044 34 Q CA 1.447 57.092 55.803 -0.263 0.000 0.918 34 Q CB -0.489 28.151 28.738 -0.164 0.000 1.242 34 Q HN 0.852 nan 8.270 nan 0.000 0.405 35 G N 3.521 112.175 108.800 -0.243 0.000 2.284 35 G HA2 -0.244 3.717 3.960 0.000 0.000 0.230 35 G HA3 -0.244 3.717 3.960 0.000 0.000 0.230 35 G C 0.462 175.293 174.900 -0.115 0.000 1.021 35 G CA 0.277 45.288 45.100 -0.148 0.000 0.619 35 G HN 0.742 nan 8.290 nan 0.000 0.510 36 D N 1.177 121.402 120.400 -0.290 0.000 2.350 36 D HA 0.048 4.688 4.640 0.000 0.000 0.216 36 D C 2.657 178.576 176.300 -0.636 0.000 0.968 36 D CA 1.652 55.492 54.000 -0.266 0.000 0.894 36 D CB -0.435 40.199 40.800 -0.277 0.000 0.909 36 D HN 0.655 nan 8.370 nan 0.000 0.520 37 T N -1.442 112.636 114.554 -0.793 0.000 3.077 37 T HA -0.222 4.128 4.350 0.000 0.000 0.269 37 T C 1.953 176.480 174.700 -0.288 0.000 1.146 37 T CA 0.693 62.434 62.100 -0.599 0.000 1.091 37 T CB -0.919 67.702 68.868 -0.412 0.000 0.892 37 T HN 0.418 nan 8.240 nan 0.000 0.533 38 Y N 1.945 122.160 120.300 -0.143 0.000 2.193 38 Y HA -0.007 4.543 4.550 0.000 0.000 0.285 38 Y C 2.592 178.490 175.900 -0.004 0.000 1.166 38 Y CA 0.334 58.394 58.100 -0.067 0.000 1.181 38 Y CB -1.301 37.117 38.460 -0.071 0.000 0.976 38 Y HN 0.247 nan 8.280 nan 0.000 0.520 39 A N 1.081 123.336 122.820 -0.942 0.000 1.986 39 A HA -0.265 4.055 4.320 0.000 0.000 0.220 39 A C 1.837 179.436 177.584 0.024 0.000 1.171 39 A CA 2.043 53.818 52.037 -0.438 0.000 0.640 39 A CB -0.969 17.817 19.000 -0.358 0.000 0.811 39 A HN 0.607 nan 8.150 nan 0.000 0.451 40 D N -0.313 120.106 120.400 0.031 0.000 2.158 40 D HA -0.187 4.454 4.640 0.000 0.000 0.197 40 D C 1.742 178.124 176.300 0.137 0.000 0.995 40 D CA 1.328 55.404 54.000 0.127 0.000 0.846 40 D CB -0.441 40.381 40.800 0.037 0.000 0.941 40 D HN 0.562 nan 8.370 nan 0.000 0.456 41 L N -0.084 121.178 121.223 0.065 0.000 2.456 41 L HA -0.139 4.201 4.340 0.000 0.000 0.224 41 L C 1.641 178.507 176.870 -0.008 0.000 1.148 41 L CA 0.538 55.399 54.840 0.036 0.000 0.825 41 L CB 0.071 42.158 42.059 0.046 0.000 0.937 41 L HN -0.045 nan 8.230 nan 0.000 0.450 42 L N -0.929 120.268 121.223 -0.044 0.000 2.095 42 L HA -0.032 4.308 4.340 0.000 0.000 0.204 42 L C 1.976 178.635 176.870 -0.352 0.000 1.080 42 L CA 1.851 56.543 54.840 -0.248 0.000 0.759 42 L CB -0.802 41.004 42.059 -0.422 0.000 0.914 42 L HN 0.173 nan 8.230 nan 0.000 0.439 43 F N -1.621 118.256 119.950 -0.122 0.000 2.335 43 F HA -0.049 4.478 4.527 0.000 0.000 0.296 43 F C 2.406 178.114 175.800 -0.152 0.000 1.091 43 F CA 0.931 58.840 58.000 -0.151 0.000 1.399 43 F CB -0.988 37.941 39.000 -0.119 0.000 1.067 43 F HN -0.082 nan 8.300 nan 0.000 0.520 44 T N -0.269 114.331 114.554 0.078 0.000 2.896 44 T HA -0.097 4.253 4.350 0.000 0.000 0.263 44 T C 1.833 176.511 174.700 -0.037 0.000 1.050 44 T CA 1.141 63.250 62.100 0.016 0.000 1.140 44 T CB -0.079 68.804 68.868 0.025 0.000 0.877 44 T HN 0.044 nan 8.240 nan 0.000 0.457 45 M N 0.148 119.713 119.600 -0.059 0.000 2.384 45 M HA 0.365 4.845 4.480 0.000 0.000 0.258 45 M C 1.818 178.043 176.300 -0.125 0.000 1.130 45 M CA 1.117 56.375 55.300 -0.070 0.000 1.187 45 M CB -0.286 32.284 32.600 -0.048 0.000 1.307 45 M HN 0.123 nan 8.290 nan 0.000 0.468 46 I N -0.344 120.116 120.570 -0.183 0.000 2.110 46 I HA -0.249 3.921 4.170 0.000 0.000 0.236 46 I C 1.828 177.631 176.117 -0.524 0.000 1.068 46 I CA 1.282 62.428 61.300 -0.257 0.000 1.333 46 I CB -0.508 37.343 38.000 -0.247 0.000 1.054 46 I HN 0.301 nan 8.210 nan 0.000 0.402 47 E N 0.771 120.553 120.200 -0.697 0.000 2.516 47 E HA -0.156 4.195 4.350 0.000 0.000 0.199 47 E C 0.566 176.828 176.600 -0.564 0.000 1.069 47 E CA 0.054 55.755 56.400 -1.166 0.000 0.876 47 E CB 0.044 29.335 29.700 -0.682 0.000 0.843 47 E HN 0.190 nan 8.360 nan 0.000 0.530 48 R N 0.816 121.150 120.500 -0.277 0.000 3.758 48 R HA -0.194 4.146 4.340 0.000 0.000 0.299 48 R C -0.550 175.731 176.300 -0.031 0.000 1.182 48 R CA 0.460 56.509 56.100 -0.084 0.000 0.809 48 R CB -1.813 28.498 30.300 0.019 0.000 1.249 48 R HN 0.068 nan 8.270 nan 0.000 0.497 49 R N 0.415 120.888 120.500 -0.046 0.000 2.734 49 R HA 0.034 4.374 4.340 0.000 0.000 0.266 49 R C 1.210 177.512 176.300 0.003 0.000 1.044 49 R CA 0.605 56.703 56.100 -0.004 0.000 1.128 49 R CB 0.210 30.514 30.300 0.008 0.000 1.010 49 R HN 0.432 nan 8.270 nan 0.000 0.461 50 N N 0.438 119.142 118.700 0.007 0.000 2.238 50 N HA 0.125 4.865 4.740 0.000 0.000 0.222 50 N C -1.107 174.401 175.510 -0.003 0.000 1.133 50 N CA -0.186 52.868 53.050 0.006 0.000 0.854 50 N CB 1.106 39.601 38.487 0.014 0.000 1.041 50 N HN 0.448 nan 8.380 nan 0.000 0.510 51 A N 0.149 122.960 122.820 -0.014 0.000 2.574 51 A HA 0.520 4.840 4.320 0.000 0.000 0.297 51 A C -0.465 177.091 177.584 -0.047 0.000 1.062 51 A CA -0.820 51.201 52.037 -0.028 0.000 0.686 51 A CB 1.456 20.434 19.000 -0.036 0.000 1.285 51 A HN 0.112 nan 8.150 nan 0.000 0.403 52 R N 1.143 121.613 120.500 -0.049 0.000 2.523 52 R HA 0.101 4.442 4.340 0.000 0.000 0.281 52 R C -2.199 174.027 176.300 -0.124 0.000 0.969 52 R CA -0.500 55.561 56.100 -0.065 0.000 1.093 52 R CB -0.289 29.980 30.300 -0.051 0.000 0.917 52 R HN 0.434 nan 8.270 nan 0.000 0.408 53 P HA -0.040 nan 4.420 nan 0.000 0.266 53 P C -2.193 174.956 177.300 -0.252 0.000 1.186 53 P CA -0.699 62.251 63.100 -0.249 0.000 0.767 53 P CB 0.182 31.674 31.700 -0.347 0.000 0.820 54 P HA 0.092 nan 4.420 nan 0.000 0.218 54 P C -0.921 176.231 177.300 -0.247 0.000 1.793 54 P CA 0.364 63.287 63.100 -0.294 0.000 0.941 54 P CB 0.035 31.579 31.700 -0.260 0.000 1.919 55 V N 0.504 120.290 119.914 -0.214 0.000 2.686 55 V HA 0.536 4.656 4.120 0.000 0.000 0.306 55 V C -0.064 175.970 176.094 -0.099 0.000 1.065 55 V CA -0.488 61.698 62.300 -0.190 0.000 0.894 55 V CB 2.338 34.036 31.823 -0.207 0.000 1.004 55 V HN 0.388 nan 8.190 nan 0.000 0.424 56 S N 3.660 119.281 115.700 -0.132 0.000 2.546 56 S HA 0.855 5.325 4.470 0.000 0.000 0.274 56 S C -1.317 173.217 174.600 -0.110 0.000 1.121 56 S CA -0.629 57.575 58.200 0.007 0.000 0.887 56 S CB 1.775 65.002 63.200 0.045 0.000 1.094 56 S HN 0.279 nan 8.310 nan 0.000 0.474 57 F N 1.780 121.704 119.950 -0.042 0.000 2.458 57 F HA 0.500 5.027 4.527 0.000 0.000 0.330 57 F C 1.971 177.761 175.800 -0.017 0.000 1.082 57 F CA -0.634 57.333 58.000 -0.056 0.000 0.995 57 F CB 2.023 40.947 39.000 -0.126 0.000 1.170 57 F HN 0.851 nan 8.300 nan 0.000 0.478 58 S N -0.150 115.671 115.700 0.201 0.000 2.400 58 S HA -0.165 4.305 4.470 0.000 0.000 0.232 58 S C 0.693 175.378 174.600 0.142 0.000 1.025 58 S CA 1.092 59.430 58.200 0.229 0.000 0.993 58 S CB -1.126 62.371 63.200 0.495 0.000 0.808 58 S HN 0.853 nan 8.310 nan 0.000 0.478 59 T N 1.893 116.451 114.554 0.007 0.000 3.967 59 T HA -0.173 4.177 4.350 0.000 0.000 0.366 59 T C -0.107 174.536 174.700 -0.095 0.000 0.759 59 T CA 0.821 62.849 62.100 -0.122 0.000 1.971 59 T CB -3.000 65.841 68.868 -0.045 0.000 1.806 59 T HN 0.711 nan 8.240 nan 0.000 0.825 60 F N 0.118 120.080 119.950 0.019 0.000 2.418 60 F HA 0.723 5.251 4.527 0.000 0.000 0.341 60 F C 0.600 176.401 175.800 0.002 0.000 1.120 60 F CA -1.014 56.998 58.000 0.021 0.000 1.232 60 F CB 0.779 39.796 39.000 0.030 0.000 1.175 60 F HN 0.305 nan 8.300 nan 0.000 0.569 61 E N 2.707 123.057 120.200 0.249 0.000 2.431 61 E HA 0.525 4.875 4.350 0.000 0.000 0.268 61 E C 0.232 176.955 176.600 0.206 0.000 0.953 61 E CA -0.573 55.928 56.400 0.168 0.000 0.810 61 E CB 1.251 30.981 29.700 0.051 0.000 1.369 61 E HN 0.717 nan 8.360 nan 0.000 0.440 62 A N 0.979 123.885 122.820 0.144 0.000 1.986 62 A HA -0.208 4.112 4.320 0.000 0.000 0.220 62 A C 1.993 179.651 177.584 0.123 0.000 1.171 62 A CA 2.817 54.925 52.037 0.118 0.000 0.640 62 A CB -0.965 18.084 19.000 0.080 0.000 0.811 62 A HN 0.703 nan 8.150 nan 0.000 0.451 63 S N -2.156 113.647 115.700 0.171 0.000 2.603 63 S HA 0.021 4.491 4.470 0.000 0.000 0.220 63 S C 0.598 175.336 174.600 0.232 0.000 0.967 63 S CA 0.701 59.019 58.200 0.198 0.000 0.920 63 S CB -0.357 62.986 63.200 0.238 0.000 0.773 63 S HN 0.612 nan 8.310 nan 0.000 0.529 64 H N 0.278 119.387 119.070 0.064 0.000 2.676 64 H HA 0.488 5.044 4.556 0.000 0.000 0.238 64 H C 0.029 175.394 175.328 0.060 0.000 1.276 64 H CA -0.567 55.522 56.048 0.069 0.000 0.983 64 H CB 0.107 29.926 29.762 0.095 0.000 2.000 64 H HN 0.275 nan 8.280 nan 0.000 0.584 65 M N -0.839 118.812 119.600 0.085 0.000 2.082 65 M HA 0.453 4.933 4.480 0.000 0.000 0.218 65 M C 1.576 177.859 176.300 -0.029 0.000 1.175 65 M CA 0.550 55.847 55.300 -0.005 0.000 0.985 65 M CB 0.033 32.622 32.600 -0.019 0.000 1.250 65 M HN 0.548 nan 8.290 nan 0.000 0.547 66 G N 0.537 109.305 108.800 -0.054 0.000 2.527 66 G HA2 -0.303 3.657 3.960 0.000 0.000 0.268 66 G HA3 -0.303 3.657 3.960 0.000 0.000 0.268 66 G C 0.597 175.476 174.900 -0.034 0.000 1.175 66 G CA 1.192 46.267 45.100 -0.042 0.000 0.962 66 G HN 0.956 nan 8.290 nan 0.000 0.560 67 T N -1.902 112.637 114.554 -0.024 0.000 3.051 67 T HA 0.057 4.407 4.350 0.000 0.000 0.269 67 T C 1.578 176.278 174.700 0.001 0.000 1.127 67 T CA 2.014 64.106 62.100 -0.014 0.000 1.107 67 T CB -0.095 68.764 68.868 -0.014 0.000 0.898 67 T HN 0.414 nan 8.240 nan 0.000 0.517 68 D N 1.957 122.360 120.400 0.005 0.000 2.219 68 D HA -0.055 4.585 4.640 0.000 0.000 0.205 68 D C 2.532 178.891 176.300 0.099 0.000 0.970 68 D CA 1.689 55.718 54.000 0.047 0.000 0.851 68 D CB -0.355 40.469 40.800 0.040 0.000 0.943 68 D HN 0.731 nan 8.370 nan 0.000 0.488 69 T N -1.418 113.174 114.554 0.063 0.000 2.812 69 T HA -0.016 4.334 4.350 0.000 0.000 0.264 69 T C 2.098 176.906 174.700 0.180 0.000 1.042 69 T CA 1.294 63.463 62.100 0.115 0.000 1.140 69 T CB -0.308 68.485 68.868 -0.125 0.000 0.870 69 T HN 0.023 nan 8.240 nan 0.000 0.445 70 A N 1.440 124.299 122.820 0.064 0.000 2.067 70 A HA 0.145 4.465 4.320 0.000 0.000 0.219 70 A C 2.338 179.927 177.584 0.008 0.000 1.158 70 A CA 1.067 53.103 52.037 -0.001 0.000 0.661 70 A CB -0.648 18.342 19.000 -0.017 0.000 0.801 70 A HN 0.539 nan 8.150 nan 0.000 0.452 71 I N -0.468 120.130 120.570 0.046 0.000 2.286 71 I HA -0.134 4.036 4.170 0.000 0.000 0.245 71 I C 2.334 178.497 176.117 0.077 0.000 1.104 71 I CA 0.932 62.262 61.300 0.050 0.000 1.397 71 I CB -1.426 36.607 38.000 0.056 0.000 1.072 71 I HN 0.263 nan 8.210 nan 0.000 0.417 72 L N 0.061 121.365 121.223 0.135 0.000 2.131 72 L HA -0.202 4.138 4.340 0.000 0.000 0.210 72 L C 2.523 179.488 176.870 0.159 0.000 1.092 72 L CA 0.802 55.748 54.840 0.177 0.000 0.759 72 L CB -0.488 41.734 42.059 0.272 0.000 0.903 72 L HN 0.216 nan 8.230 nan 0.000 0.435 73 L N -0.039 121.253 121.223 0.114 0.000 2.072 73 L HA -0.188 4.153 4.340 0.000 0.000 0.205 73 L C 2.495 179.358 176.870 -0.011 0.000 1.079 73 L CA 1.723 56.562 54.840 -0.000 0.000 0.752 73 L CB -0.636 41.212 42.059 -0.353 0.000 0.906 73 L HN 0.122 nan 8.230 nan 0.000 0.436 74 K N -0.559 119.834 120.400 -0.012 0.000 2.032 74 K HA -0.212 4.108 4.320 0.000 0.000 0.209 74 K C 1.655 178.265 176.600 0.017 0.000 1.048 74 K CA 1.935 58.218 56.287 -0.006 0.000 0.927 74 K CB -0.167 32.330 32.500 -0.005 0.000 0.712 74 K HN 0.401 nan 8.250 nan 0.000 0.441 75 D N 0.233 120.657 120.400 0.039 0.000 2.144 75 D HA -0.123 4.517 4.640 0.000 0.000 0.200 75 D C 1.774 178.105 176.300 0.051 0.000 0.978 75 D CA 1.224 55.251 54.000 0.046 0.000 0.833 75 D CB -0.197 40.638 40.800 0.059 0.000 0.961 75 D HN 0.338 nan 8.370 nan 0.000 0.470 76 A N 0.767 123.624 122.820 0.063 0.000 1.902 76 A HA -0.118 4.202 4.320 0.000 0.000 0.217 76 A C 2.388 180.004 177.584 0.054 0.000 1.181 76 A CA 0.886 52.962 52.037 0.065 0.000 0.623 76 A CB -0.749 18.298 19.000 0.078 0.000 0.818 76 A HN 0.181 nan 8.150 nan 0.000 0.443 77 L N -0.787 120.457 121.223 0.036 0.000 2.017 77 L HA -0.186 4.154 4.340 0.000 0.000 0.208 77 L C 3.141 180.045 176.870 0.057 0.000 1.073 77 L CA 1.097 55.959 54.840 0.035 0.000 0.745 77 L CB -0.627 41.435 42.059 0.005 0.000 0.894 77 L HN 0.425 nan 8.230 nan 0.000 0.432 78 A N 0.134 122.977 122.820 0.038 0.000 1.873 78 A HA -0.267 4.053 4.320 0.000 0.000 0.218 78 A C 2.518 180.145 177.584 0.072 0.000 1.193 78 A CA 2.202 54.265 52.037 0.043 0.000 0.629 78 A CB -0.927 18.087 19.000 0.022 0.000 0.826 78 A HN 0.427 nan 8.150 nan 0.000 0.447 79 A N -0.386 122.469 122.820 0.058 0.000 1.877 79 A HA 0.175 4.495 4.320 0.000 0.000 0.216 79 A C 2.512 180.130 177.584 0.057 0.000 1.186 79 A CA 2.204 54.268 52.037 0.044 0.000 0.620 79 A CB -1.093 17.933 19.000 0.043 0.000 0.822 79 A HN 1.189 nan 8.150 nan 0.000 0.443 80 A N -1.727 121.161 122.820 0.112 0.000 2.067 80 A HA -0.176 4.144 4.320 0.000 0.000 0.219 80 A C 2.087 179.781 177.584 0.182 0.000 1.158 80 A CA 1.673 53.825 52.037 0.192 0.000 0.661 80 A CB -0.789 18.307 19.000 0.160 0.000 0.801 80 A HN 0.755 nan 8.150 nan 0.000 0.452 81 H N -0.259 118.844 119.070 0.056 0.000 2.355 81 H HA 0.100 4.656 4.556 0.000 0.000 0.303 81 H C 2.326 177.657 175.328 0.006 0.000 1.061 81 H CA 1.394 57.465 56.048 0.038 0.000 1.368 81 H CB -0.171 29.602 29.762 0.018 0.000 1.412 81 H HN 0.393 nan 8.280 nan 0.000 0.523 82 A N 1.419 124.306 122.820 0.111 0.000 1.908 82 A HA -0.190 4.130 4.320 0.000 0.000 0.218 82 A C 2.579 180.095 177.584 -0.112 0.000 1.181 82 A CA 1.834 53.890 52.037 0.032 0.000 0.627 82 A CB -0.600 18.413 19.000 0.022 0.000 0.818 82 A HN 0.448 nan 8.150 nan 0.000 0.445 83 R N -2.456 117.916 120.500 -0.214 0.000 2.127 83 R HA -0.002 4.338 4.340 0.000 0.000 0.217 83 R C 0.973 176.913 176.300 -0.600 0.000 1.074 83 R CA 1.203 57.021 56.100 -0.470 0.000 0.991 83 R CB -0.088 29.787 30.300 -0.708 0.000 0.895 83 R HN 0.620 nan 8.270 nan 0.000 0.450 84 Y N 0.705 120.955 120.300 -0.084 0.000 2.481 84 Y HA 0.277 4.827 4.550 0.000 0.000 0.247 84 Y C -0.160 175.652 175.900 -0.146 0.000 1.151 84 Y CA -0.754 57.289 58.100 -0.095 0.000 1.238 84 Y CB 0.791 39.207 38.460 -0.074 0.000 1.179 84 Y HN -0.207 nan 8.280 nan 0.000 0.524 85 K N 1.124 121.433 120.400 -0.152 0.000 3.985 85 K HA -0.189 4.131 4.320 0.000 0.000 0.274 85 K C -2.784 173.719 176.600 -0.162 0.000 0.799 85 K CA 0.311 56.425 56.287 -0.289 0.000 0.661 85 K CB -1.570 30.826 32.500 -0.173 0.000 1.778 85 K HN 0.342 nan 8.250 nan 0.000 0.429 86 P HA 0.091 nan 4.420 nan 0.000 0.276 86 P C 0.717 177.999 177.300 -0.030 0.000 1.244 86 P CA -0.301 62.771 63.100 -0.046 0.000 0.801 86 P CB 0.742 32.431 31.700 -0.020 0.000 1.006 87 Q N 0.222 120.018 119.800 -0.007 0.000 2.084 87 Q HA 0.022 4.362 4.340 0.000 0.000 0.202 87 Q C 0.667 176.684 176.000 0.028 0.000 0.978 87 Q CA 1.656 57.466 55.803 0.011 0.000 0.844 87 Q CB -0.100 28.644 28.738 0.009 0.000 0.898 87 Q HN 0.670 nan 8.270 nan 0.000 0.426 88 A N -1.004 121.831 122.820 0.024 0.000 2.593 88 A HA 0.750 5.070 4.320 0.000 0.000 0.290 88 A C -1.335 176.265 177.584 0.026 0.000 1.126 88 A CA -0.738 51.317 52.037 0.031 0.000 0.695 88 A CB 1.432 20.443 19.000 0.018 0.000 1.290 88 A HN 0.112 nan 8.150 nan 0.000 0.414 89 M N -0.414 119.202 119.600 0.026 0.000 2.667 89 M HA 0.731 5.211 4.480 0.000 0.000 0.286 89 M C -0.474 175.824 176.300 -0.003 0.000 1.270 89 M CA -0.587 54.722 55.300 0.015 0.000 0.826 89 M CB 2.568 35.194 32.600 0.042 0.000 1.743 89 M HN 1.153 nan 8.290 nan 0.000 0.460 90 A N 0.856 123.665 122.820 -0.019 0.000 2.475 90 A HA 0.886 5.206 4.320 0.000 0.000 0.301 90 A C -1.894 175.668 177.584 -0.037 0.000 1.059 90 A CA -0.744 51.277 52.037 -0.027 0.000 0.710 90 A CB 2.056 21.037 19.000 -0.032 0.000 1.288 90 A HN 0.642 nan 8.150 nan 0.000 0.408 91 V N 0.611 120.506 119.914 -0.031 0.000 2.733 91 V HA 0.884 5.004 4.120 0.000 0.000 0.306 91 V C -0.380 175.703 176.094 -0.020 0.000 1.084 91 V CA 0.494 62.774 62.300 -0.034 0.000 0.905 91 V CB 1.427 33.232 31.823 -0.030 0.000 1.010 91 V HN 2.255 nan 8.190 nan 0.000 0.424 92 A N 5.904 128.713 122.820 -0.019 0.000 2.602 92 A HA 0.902 5.222 4.320 0.000 0.000 0.290 92 A C -1.945 175.661 177.584 0.037 0.000 1.114 92 A CA -0.751 51.294 52.037 0.013 0.000 0.683 92 A CB 1.691 20.701 19.000 0.015 0.000 1.281 92 A HN 0.906 nan 8.150 nan 0.000 0.416 93 L N 1.393 122.662 121.223 0.076 0.000 2.317 93 L HA 0.582 4.922 4.340 0.000 0.000 0.281 93 L C 1.037 177.946 176.870 0.066 0.000 1.024 93 L CA -0.635 54.273 54.840 0.114 0.000 0.810 93 L CB 1.971 44.122 42.059 0.154 0.000 1.240 93 L HN 0.974 nan 8.230 nan 0.000 0.427 94 T N -2.398 112.153 114.554 -0.005 0.000 2.754 94 T HA 0.056 4.406 4.350 0.000 0.000 0.286 94 T C 1.570 176.329 174.700 0.098 0.000 0.997 94 T CA -0.257 61.800 62.100 -0.070 0.000 0.982 94 T CB 1.021 69.743 68.868 -0.243 0.000 1.027 94 T HN 0.858 nan 8.240 nan 0.000 0.529 95 C N 0.012 119.378 119.300 0.111 0.000 2.403 95 C HA -0.087 4.373 4.460 0.000 0.000 0.277 95 C C 2.919 178.053 174.990 0.241 0.000 1.248 95 C CA 1.372 60.434 59.018 0.073 0.000 1.762 95 C CB -2.457 25.195 27.740 -0.147 0.000 2.014 95 C HN 1.061 nan 8.230 nan 0.000 0.486 96 T N -0.333 114.342 114.554 0.202 0.000 2.896 96 T HA 0.197 4.547 4.350 0.000 0.000 0.263 96 T C 1.961 176.800 174.700 0.230 0.000 1.050 96 T CA 1.416 63.659 62.100 0.239 0.000 1.140 96 T CB -0.610 68.404 68.868 0.243 0.000 0.877 96 T HN 0.731 nan 8.240 nan 0.000 0.457 97 A N 0.991 123.951 122.820 0.233 0.000 2.119 97 A HA 0.125 4.445 4.320 0.000 0.000 0.216 97 A C 2.229 179.915 177.584 0.170 0.000 1.152 97 A CA 1.023 53.167 52.037 0.177 0.000 0.708 97 A CB -0.618 18.485 19.000 0.172 0.000 0.805 97 A HN 0.633 nan 8.150 nan 0.000 0.460 98 E N -0.123 120.192 120.200 0.192 0.000 2.208 98 E HA -0.055 4.295 4.350 0.000 0.000 0.193 98 E C 1.566 178.257 176.600 0.150 0.000 0.988 98 E CA 0.483 56.997 56.400 0.189 0.000 0.828 98 E CB -0.080 29.769 29.700 0.247 0.000 0.763 98 E HN 0.681 nan 8.360 nan 0.000 0.478 99 L N 0.671 121.980 121.223 0.144 0.000 2.313 99 L HA -0.041 4.299 4.340 0.000 0.000 0.214 99 L C 0.916 177.806 176.870 0.033 0.000 1.119 99 L CA -0.071 54.809 54.840 0.068 0.000 0.809 99 L CB -0.124 41.973 42.059 0.064 0.000 0.933 99 L HN 0.094 nan 8.230 nan 0.000 0.449 100 L N -0.420 120.821 121.223 0.030 0.000 2.479 100 L HA 0.047 4.387 4.340 0.000 0.000 0.248 100 L C 1.375 178.258 176.870 0.022 0.000 1.205 100 L CA 0.701 55.536 54.840 -0.008 0.000 0.817 100 L CB 0.155 42.173 42.059 -0.068 0.000 1.162 100 L HN 0.041 nan 8.230 nan 0.000 0.486 101 Q N -0.395 119.410 119.800 0.008 0.000 2.396 101 Q HA 0.101 4.442 4.340 0.000 0.000 0.209 101 Q C -0.664 175.348 176.000 0.020 0.000 0.906 101 Q CA 0.058 55.868 55.803 0.013 0.000 0.927 101 Q CB 0.136 28.873 28.738 -0.002 0.000 1.069 101 Q HN 0.600 nan 8.270 nan 0.000 0.523 102 D N 2.003 122.422 120.400 0.032 0.000 2.455 102 D HA -0.011 4.629 4.640 0.000 0.000 0.241 102 D C -0.182 176.121 176.300 0.005 0.000 1.138 102 D CA 0.330 54.337 54.000 0.010 0.000 0.877 102 D CB 0.654 41.450 40.800 -0.007 0.000 1.187 102 D HN -0.084 nan 8.370 nan 0.000 0.451 103 D N 1.926 122.316 120.400 -0.016 0.000 2.380 103 D HA 0.117 4.757 4.640 0.000 0.000 0.230 103 D C -1.443 174.834 176.300 -0.038 0.000 1.154 103 D CA -2.080 51.912 54.000 -0.014 0.000 0.859 103 D CB 1.271 42.065 40.800 -0.010 0.000 1.045 103 D HN 0.007 nan 8.370 nan 0.000 0.495 104 P HA -0.162 nan 4.420 nan 0.000 0.218 104 P C 1.055 178.334 177.300 -0.036 0.000 1.149 104 P CA 0.790 63.861 63.100 -0.048 0.000 0.817 104 P CB 0.379 32.070 31.700 -0.015 0.000 0.785 105 N N 0.293 118.981 118.700 -0.020 0.000 2.092 105 N HA -0.103 4.637 4.740 0.000 0.000 0.189 105 N C 2.168 177.665 175.510 -0.022 0.000 1.040 105 N CA 1.543 54.583 53.050 -0.017 0.000 0.845 105 N CB -0.671 37.812 38.487 -0.008 0.000 1.017 105 N HN 0.021 nan 8.380 nan 0.000 0.426 106 G N 1.799 110.587 108.800 -0.021 0.000 2.476 106 G HA2 -0.214 3.746 3.960 0.000 0.000 0.218 106 G HA3 -0.214 3.746 3.960 0.000 0.000 0.218 106 G C 1.709 176.592 174.900 -0.028 0.000 1.164 106 G CA 0.790 45.877 45.100 -0.021 0.000 0.768 106 G HN 0.326 nan 8.290 nan 0.000 0.560 107 I N 1.634 122.182 120.570 -0.038 0.000 2.179 107 I HA -0.221 3.949 4.170 0.000 0.000 0.242 107 I C 3.229 179.321 176.117 -0.041 0.000 1.088 107 I CA 1.658 62.931 61.300 -0.044 0.000 1.357 107 I CB -0.328 37.632 38.000 -0.067 0.000 1.051 107 I HN 0.358 nan 8.210 nan 0.000 0.409 108 S N 1.146 116.822 115.700 -0.041 0.000 2.382 108 S HA -0.167 4.303 4.470 0.000 0.000 0.228 108 S C 2.108 176.687 174.600 -0.034 0.000 1.027 108 S CA 0.765 58.943 58.200 -0.037 0.000 0.991 108 S CB -0.533 62.647 63.200 -0.032 0.000 0.823 108 S HN 0.370 nan 8.310 nan 0.000 0.469 109 R N 1.581 122.063 120.500 -0.029 0.000 2.096 109 R HA 0.068 4.408 4.340 0.000 0.000 0.235 109 R C 2.534 178.817 176.300 -0.028 0.000 1.127 109 R CA 1.357 57.441 56.100 -0.026 0.000 0.968 109 R CB -0.700 29.587 30.300 -0.020 0.000 0.861 109 R HN 0.603 nan 8.270 nan 0.000 0.440 110 A N 0.509 123.312 122.820 -0.028 0.000 2.169 110 A HA 0.047 4.368 4.320 0.000 0.000 0.212 110 A C 1.959 179.524 177.584 -0.031 0.000 1.153 110 A CA 0.356 52.377 52.037 -0.027 0.000 0.756 110 A CB -0.078 18.908 19.000 -0.023 0.000 0.813 110 A HN 0.194 nan 8.150 nan 0.000 0.471 111 L N -1.644 119.556 121.223 -0.038 0.000 2.249 111 L HA 0.032 4.372 4.340 0.000 0.000 0.207 111 L C 0.764 177.599 176.870 -0.059 0.000 1.090 111 L CA 0.866 55.678 54.840 -0.046 0.000 0.802 111 L CB 0.049 42.077 42.059 -0.050 0.000 0.947 111 L HN 0.552 nan 8.230 nan 0.000 0.453 112 N N -0.169 118.496 118.700 -0.058 0.000 2.783 112 N HA -0.177 4.563 4.740 0.000 0.000 0.247 112 N C -0.586 174.872 175.510 -0.087 0.000 1.089 112 N CA 0.088 53.102 53.050 -0.059 0.000 0.690 112 N CB -1.138 37.322 38.487 -0.045 0.000 0.991 112 N HN -0.014 nan 8.380 nan 0.000 0.552 113 L N 0.666 121.815 121.223 -0.123 0.000 2.482 113 L HA 0.197 4.537 4.340 0.000 0.000 0.273 113 L C -0.500 176.285 176.870 -0.141 0.000 1.228 113 L CA -0.700 54.009 54.840 -0.219 0.000 0.827 113 L CB -0.156 41.734 42.059 -0.281 0.000 1.099 113 L HN 0.208 nan 8.230 nan 0.000 0.494 114 P HA 0.054 nan 4.420 nan 0.000 0.253 114 P C -0.482 176.846 177.300 0.047 0.000 1.260 114 P CA 0.369 63.458 63.100 -0.018 0.000 0.800 114 P CB 0.094 31.808 31.700 0.023 0.000 1.162 115 V N -4.262 115.687 119.914 0.058 0.000 3.102 115 V HA 0.737 4.857 4.120 0.000 0.000 0.312 115 V C -3.050 173.067 176.094 0.039 0.000 1.135 115 V CA -3.111 59.234 62.300 0.076 0.000 1.022 115 V CB 1.133 33.038 31.823 0.136 0.000 1.056 115 V HN -0.310 nan 8.190 nan 0.000 0.436 116 P HA 0.433 nan 4.420 nan 0.000 0.275 116 P C -0.896 176.413 177.300 0.014 0.000 1.227 116 P CA -0.148 62.959 63.100 0.013 0.000 0.781 116 P CB 1.018 32.722 31.700 0.007 0.000 0.906 117 V N 3.822 123.736 119.914 0.002 0.000 2.349 117 V HA 0.169 4.290 4.120 0.000 0.000 0.284 117 V C 0.042 176.130 176.094 -0.011 0.000 1.014 117 V CA -0.753 61.546 62.300 -0.001 0.000 0.826 117 V CB 1.718 33.538 31.823 -0.006 0.000 1.009 117 V HN 0.244 nan 8.190 nan 0.000 0.431 118 V N 7.877 127.783 119.914 -0.013 0.000 2.432 118 V HA 0.307 4.427 4.120 0.000 0.000 0.271 118 V C -1.855 174.228 176.094 -0.019 0.000 1.046 118 V CA -1.575 60.713 62.300 -0.020 0.000 0.945 118 V CB 1.253 33.060 31.823 -0.027 0.000 0.992 118 V HN 0.685 nan 8.190 nan 0.000 0.471 119 P HA 0.400 nan 4.420 nan 0.000 0.280 119 P C -1.139 176.157 177.300 -0.007 0.000 1.244 119 P CA -0.257 62.836 63.100 -0.011 0.000 0.784 119 P CB 1.149 32.844 31.700 -0.008 0.000 0.913 120 L N 2.531 123.756 121.223 0.003 0.000 2.356 120 L HA 0.468 4.808 4.340 0.000 0.000 0.277 120 L C 0.431 177.324 176.870 0.039 0.000 0.996 120 L CA -0.680 54.166 54.840 0.010 0.000 0.822 120 L CB 2.017 44.077 42.059 0.002 0.000 1.256 120 L HN 0.238 nan 8.230 nan 0.000 0.413 121 E N 5.026 125.259 120.200 0.055 0.000 2.115 121 E HA 0.539 4.889 4.350 0.000 0.000 0.282 121 E C -1.150 175.535 176.600 0.143 0.000 0.987 121 E CA -0.383 56.072 56.400 0.092 0.000 0.797 121 E CB 1.593 31.348 29.700 0.091 0.000 1.086 121 E HN 0.429 nan 8.360 nan 0.000 0.397 122 L N 4.891 126.208 121.223 0.156 0.000 2.427 122 L HA 0.351 4.691 4.340 0.000 0.000 0.264 122 L C -2.436 174.550 176.870 0.194 0.000 0.989 122 L CA -2.341 52.625 54.840 0.210 0.000 0.865 122 L CB 1.451 43.615 42.059 0.175 0.000 1.209 122 L HN 0.262 nan 8.230 nan 0.000 0.430 123 P HA 0.043 nan 4.420 nan 0.000 0.266 123 P C 0.749 178.128 177.300 0.130 0.000 1.419 123 P CA 0.282 63.468 63.100 0.143 0.000 1.112 123 P CB 1.033 32.773 31.700 0.068 0.000 1.438 124 S N 2.000 117.780 115.700 0.134 0.000 2.481 124 S HA -0.103 4.367 4.470 0.000 0.000 0.231 124 S C 0.765 175.268 174.600 -0.163 0.000 0.996 124 S CA 0.797 58.995 58.200 -0.004 0.000 0.942 124 S CB -0.474 62.695 63.200 -0.052 0.000 0.768 124 S HN 0.364 nan 8.310 nan 0.000 0.520 125 Y N 0.797 121.137 120.300 0.066 0.000 2.524 125 Y HA 0.290 4.840 4.550 0.000 0.000 0.266 125 Y C 1.787 177.707 175.900 0.033 0.000 1.180 125 Y CA 0.227 58.357 58.100 0.050 0.000 1.244 125 Y CB 0.537 39.025 38.460 0.046 0.000 1.125 125 Y HN 0.435 nan 8.280 nan 0.000 0.524 126 S N -2.390 113.379 115.700 0.113 0.000 2.483 126 S HA 0.321 4.792 4.470 0.000 0.000 0.280 126 S C 0.211 174.812 174.600 0.001 0.000 1.059 126 S CA -0.553 57.681 58.200 0.057 0.000 1.359 126 S CB 0.587 63.812 63.200 0.042 0.000 1.171 126 S HN -0.095 nan 8.310 nan 0.000 0.625 127 R N 1.306 121.803 120.500 -0.005 0.000 2.856 127 R HA 0.761 5.101 4.340 0.000 0.000 0.258 127 R C -0.697 175.639 176.300 0.059 0.000 1.066 127 R CA -0.551 55.536 56.100 -0.022 0.000 1.045 127 R CB 0.826 31.047 30.300 -0.132 0.000 1.178 127 R HN 0.260 nan 8.270 nan 0.000 0.499 128 K N 0.036 120.502 120.400 0.109 0.000 2.279 128 K HA 0.233 4.553 4.320 0.000 0.000 0.238 128 K C 0.964 177.635 176.600 0.120 0.000 1.084 128 K CA -0.808 55.536 56.287 0.094 0.000 0.885 128 K CB 1.448 34.003 32.500 0.092 0.000 1.319 128 K HN 0.547 nan 8.250 nan 0.000 0.494 129 E N 0.836 121.071 120.200 0.058 0.000 2.095 129 E HA -0.386 3.964 4.350 0.000 0.000 0.212 129 E C 1.227 177.876 176.600 0.081 0.000 1.044 129 E CA 2.185 58.607 56.400 0.037 0.000 0.857 129 E CB -0.042 29.659 29.700 0.000 0.000 0.764 129 E HN 0.393 nan 8.360 nan 0.000 0.462 130 N N -0.502 118.269 118.700 0.118 0.000 2.061 130 N HA -0.214 4.527 4.740 0.000 0.000 0.193 130 N C 1.582 177.177 175.510 0.141 0.000 1.030 130 N CA 1.547 54.675 53.050 0.129 0.000 0.856 130 N CB -0.712 37.865 38.487 0.151 0.000 1.023 130 N HN 0.341 nan 8.380 nan 0.000 0.424 131 Y N 0.959 121.297 120.300 0.063 0.000 2.165 131 Y HA -0.110 4.440 4.550 0.000 0.000 0.286 131 Y C 2.303 178.239 175.900 0.060 0.000 1.155 131 Y CA 1.946 60.082 58.100 0.060 0.000 1.164 131 Y CB -0.804 37.689 38.460 0.055 0.000 0.978 131 Y HN 0.050 nan 8.280 nan 0.000 0.513 132 G N -0.064 108.757 108.800 0.035 0.000 2.469 132 G HA2 -0.331 3.630 3.960 0.000 0.000 0.219 132 G HA3 -0.331 3.630 3.960 0.000 0.000 0.219 132 G C 1.803 176.652 174.900 -0.085 0.000 1.150 132 G CA 1.298 46.373 45.100 -0.042 0.000 0.763 132 G HN 0.635 nan 8.290 nan 0.000 0.561 133 A N 0.694 123.499 122.820 -0.024 0.000 1.872 133 A HA -0.004 4.316 4.320 0.000 0.000 0.214 133 A C 2.079 179.673 177.584 0.017 0.000 1.187 133 A CA 2.105 54.148 52.037 0.010 0.000 0.614 133 A CB -0.620 18.402 19.000 0.037 0.000 0.826 133 A HN 0.352 nan 8.150 nan 0.000 0.442 134 D N -0.543 119.849 120.400 -0.013 0.000 2.116 134 D HA -0.212 4.428 4.640 0.000 0.000 0.193 134 D C 1.935 178.177 176.300 -0.098 0.000 0.998 134 D CA 1.773 55.772 54.000 -0.003 0.000 0.836 134 D CB -0.114 40.680 40.800 -0.009 0.000 0.951 134 D HN 0.414 nan 8.370 nan 0.000 0.449 135 E N -0.602 119.398 120.200 -0.333 0.000 2.077 135 E HA -0.117 4.233 4.350 0.000 0.000 0.193 135 E C 1.965 178.466 176.600 -0.164 0.000 0.989 135 E CA 1.703 57.886 56.400 -0.361 0.000 0.800 135 E CB -0.587 28.709 29.700 -0.673 0.000 0.746 135 E HN 0.272 nan 8.360 nan 0.000 0.452 136 T N 0.435 114.933 114.554 -0.093 0.000 2.701 136 T HA -0.124 4.226 4.350 0.000 0.000 0.263 136 T C 1.467 176.197 174.700 0.050 0.000 1.040 136 T CA 1.277 63.367 62.100 -0.018 0.000 1.147 136 T CB -0.640 68.233 68.868 0.008 0.000 0.865 136 T HN 0.239 nan 8.240 nan 0.000 0.426 137 F N 2.588 122.493 119.950 -0.075 0.000 2.161 137 F HA -0.071 4.456 4.527 0.000 0.000 0.300 137 F C 2.476 178.233 175.800 -0.072 0.000 1.089 137 F CA 1.105 59.072 58.000 -0.055 0.000 1.282 137 F CB -0.404 38.578 39.000 -0.030 0.000 1.010 137 F HN -0.063 nan 8.300 nan 0.000 0.485 138 R N 0.424 120.805 120.500 -0.198 0.000 2.070 138 R HA -0.158 4.182 4.340 0.000 0.000 0.233 138 R C 2.394 178.521 176.300 -0.289 0.000 1.137 138 R CA 1.456 57.371 56.100 -0.308 0.000 0.945 138 R CB -0.849 29.337 30.300 -0.191 0.000 0.845 138 R HN 0.352 nan 8.270 nan 0.000 0.430 139 A N 1.495 124.204 122.820 -0.184 0.000 1.873 139 A HA -0.206 4.115 4.320 0.000 0.000 0.218 139 A C 2.111 179.602 177.584 -0.154 0.000 1.193 139 A CA 1.369 53.316 52.037 -0.151 0.000 0.629 139 A CB -0.672 18.274 19.000 -0.090 0.000 0.826 139 A HN 0.282 nan 8.150 nan 0.000 0.447 140 L N -0.488 120.664 121.223 -0.119 0.000 1.989 140 L HA -0.154 4.186 4.340 0.000 0.000 0.211 140 L C 2.716 179.499 176.870 -0.145 0.000 1.071 140 L CA 1.631 56.419 54.840 -0.086 0.000 0.749 140 L CB -1.288 40.773 42.059 0.003 0.000 0.890 140 L HN 0.222 nan 8.230 nan 0.000 0.431 141 V N -0.471 119.280 119.914 -0.272 0.000 2.255 141 V HA -0.337 3.783 4.120 0.000 0.000 0.247 141 V C 2.760 178.699 176.094 -0.260 0.000 1.051 141 V CA 1.961 64.087 62.300 -0.290 0.000 1.018 141 V CB -0.562 30.965 31.823 -0.494 0.000 0.641 141 V HN 0.438 nan 8.190 nan 0.000 0.445 142 R N 0.710 120.932 120.500 -0.463 0.000 2.119 142 R HA -0.223 4.117 4.340 0.000 0.000 0.246 142 R C 2.074 178.247 176.300 -0.211 0.000 1.146 142 R CA 2.199 57.962 56.100 -0.560 0.000 0.962 142 R CB -0.737 29.247 30.300 -0.526 0.000 0.863 142 R HN 0.498 nan 8.270 nan 0.000 0.442 143 A N -0.638 122.091 122.820 -0.152 0.000 1.968 143 A HA 0.054 4.374 4.320 0.000 0.000 0.217 143 A C 1.977 179.536 177.584 -0.042 0.000 1.169 143 A CA 1.162 53.153 52.037 -0.077 0.000 0.638 143 A CB -0.034 18.928 19.000 -0.063 0.000 0.812 143 A HN 0.375 nan 8.150 nan 0.000 0.446 144 L N -1.746 119.452 121.223 -0.042 0.000 2.749 144 L HA 0.331 4.671 4.340 0.000 0.000 0.242 144 L C 1.000 177.872 176.870 0.003 0.000 1.103 144 L CA 0.095 54.927 54.840 -0.013 0.000 0.906 144 L CB 0.274 42.329 42.059 -0.008 0.000 1.228 144 L HN 0.290 nan 8.230 nan 0.000 0.517 145 A N 1.129 123.956 122.820 0.011 0.000 2.309 145 A HA 0.606 4.926 4.320 0.000 0.000 0.298 145 A C -0.330 177.283 177.584 0.048 0.000 1.165 145 A CA -0.302 51.756 52.037 0.034 0.000 0.821 145 A CB 0.736 19.765 19.000 0.049 0.000 1.102 145 A HN 0.019 nan 8.150 nan 0.000 0.500 146 V N -0.219 119.713 119.914 0.030 0.000 2.962 146 V HA 0.748 4.868 4.120 0.000 0.000 0.313 146 V C -3.016 173.084 176.094 0.010 0.000 1.099 146 V CA -2.675 59.638 62.300 0.022 0.000 0.971 146 V CB 1.336 33.169 31.823 0.017 0.000 1.028 146 V HN 0.671 nan 8.190 nan 0.000 0.430 147 P HA 0.388 nan 4.420 nan 0.000 0.267 147 P C -0.623 176.677 177.300 0.000 0.000 1.200 147 P CA 0.171 63.267 63.100 -0.006 0.000 0.772 147 P CB 0.330 32.024 31.700 -0.011 0.000 0.855 148 M N 0.480 120.080 119.600 -0.001 0.000 2.644 148 M HA 0.226 4.706 4.480 0.000 0.000 0.273 148 M C -0.753 175.548 176.300 0.002 0.000 1.253 148 M CA -0.955 54.348 55.300 0.004 0.000 0.852 148 M CB 2.319 34.926 32.600 0.011 0.000 1.708 148 M HN 0.133 nan 8.290 nan 0.000 0.471 149 E N 1.663 121.867 120.200 0.006 0.000 2.417 149 E HA 0.110 4.460 4.350 0.000 0.000 0.261 149 E C -0.762 175.849 176.600 0.017 0.000 1.000 149 E CA 0.235 56.640 56.400 0.008 0.000 0.919 149 E CB 0.530 30.237 29.700 0.013 0.000 0.955 149 E HN 0.262 nan 8.360 nan 0.000 0.455 150 R N 2.295 122.800 120.500 0.007 0.000 2.698 150 R HA 0.089 4.429 4.340 0.000 0.000 0.266 150 R C -0.219 176.146 176.300 0.109 0.000 1.026 150 R CA 0.307 56.428 56.100 0.035 0.000 1.102 150 R CB 0.015 30.268 30.300 -0.079 0.000 0.978 150 R HN 0.686 nan 8.270 nan 0.000 0.436 151 T N 2.205 116.864 114.554 0.174 0.000 2.940 151 T HA 0.085 4.436 4.350 0.000 0.000 0.309 151 T C -1.429 173.356 174.700 0.142 0.000 1.056 151 T CA -1.268 60.907 62.100 0.125 0.000 1.137 151 T CB 0.589 69.504 68.868 0.079 0.000 0.976 151 T HN 0.413 nan 8.240 nan 0.000 0.547 152 P HA -0.133 nan 4.420 nan 0.000 0.215 152 P C 0.510 177.831 177.300 0.037 0.000 1.163 152 P CA 1.372 64.507 63.100 0.058 0.000 0.894 152 P CB 0.124 31.843 31.700 0.031 0.000 0.791 153 E N -0.385 119.813 120.200 -0.004 0.000 2.318 153 E HA 0.219 4.569 4.350 0.000 0.000 0.265 153 E C -0.185 176.301 176.600 -0.190 0.000 1.069 153 E CA -0.959 55.404 56.400 -0.061 0.000 0.893 153 E CB 0.776 30.448 29.700 -0.046 0.000 1.076 153 E HN -0.179 nan 8.360 nan 0.000 0.414 154 V N 2.580 122.329 119.914 -0.274 0.000 2.425 154 V HA 0.099 4.219 4.120 0.000 0.000 0.276 154 V C 0.692 176.626 176.094 -0.267 0.000 1.017 154 V CA 0.287 62.285 62.300 -0.503 0.000 1.062 154 V CB -0.350 31.311 31.823 -0.269 0.000 0.997 154 V HN 0.747 nan 8.190 nan 0.000 0.476 155 T N 2.305 116.700 114.554 -0.265 0.000 2.916 155 T HA 0.798 5.148 4.350 0.000 0.000 0.292 155 T C -0.365 174.209 174.700 -0.211 0.000 1.064 155 T CA -0.534 61.480 62.100 -0.143 0.000 1.011 155 T CB 1.985 70.805 68.868 -0.079 0.000 1.152 155 T HN 0.957 nan 8.240 nan 0.000 0.510 156 C N 0.363 119.467 119.300 -0.326 0.000 3.285 156 C HA 0.815 5.275 4.460 0.000 0.000 0.320 156 C C -0.820 173.984 174.990 -0.310 0.000 1.411 156 C CA -1.088 57.573 59.018 -0.596 0.000 1.429 156 C CB 0.269 27.186 27.740 -1.372 0.000 1.812 156 C HN 1.094 nan 8.230 nan 0.000 0.454 157 N N -0.096 118.444 118.700 -0.266 0.000 2.430 157 N HA 0.695 5.435 4.740 0.000 0.000 0.298 157 N C -1.306 174.161 175.510 -0.072 0.000 1.130 157 N CA -0.617 52.372 53.050 -0.103 0.000 0.894 157 N CB 1.378 39.854 38.487 -0.018 0.000 1.209 157 N HN 0.595 nan 8.380 nan 0.000 0.503 158 L N 2.699 123.906 121.223 -0.026 0.000 2.277 158 L HA 0.425 4.765 4.340 0.000 0.000 0.284 158 L C -1.201 175.676 176.870 0.011 0.000 1.028 158 L CA -0.709 54.120 54.840 -0.019 0.000 0.835 158 L CB 0.545 42.582 42.059 -0.037 0.000 1.215 158 L HN 0.275 nan 8.230 nan 0.000 0.425 159 L N 2.806 124.051 121.223 0.036 0.000 2.322 159 L HA 0.722 5.062 4.340 0.000 0.000 0.281 159 L C 0.774 177.665 176.870 0.034 0.000 1.014 159 L CA 0.249 55.149 54.840 0.100 0.000 0.815 159 L CB 1.402 43.585 42.059 0.207 0.000 1.247 159 L HN 0.769 nan 8.230 nan 0.000 0.421 160 G N 2.583 111.354 108.800 -0.050 0.000 2.380 160 G HA2 -0.115 3.845 3.960 0.000 0.000 0.197 160 G HA3 -0.115 3.845 3.960 0.000 0.000 0.197 160 G C 0.367 175.330 174.900 0.106 0.000 1.001 160 G CA -0.146 44.974 45.100 0.033 0.000 0.668 160 G HN 0.940 nan 8.290 nan 0.000 0.483 161 A N 1.478 124.340 122.820 0.070 0.000 2.491 161 A HA 0.644 4.964 4.320 0.000 0.000 0.261 161 A C 0.982 178.667 177.584 0.167 0.000 1.101 161 A CA 1.717 53.857 52.037 0.171 0.000 0.772 161 A CB -0.091 18.979 19.000 0.116 0.000 1.043 161 A HN 1.673 nan 8.150 nan 0.000 0.501 162 T N -0.589 114.188 114.554 0.372 0.000 2.619 162 T HA 0.746 5.096 4.350 0.000 0.000 0.244 162 T C 1.199 175.944 174.700 0.074 0.000 0.893 162 T CA 0.135 62.300 62.100 0.108 0.000 1.093 162 T CB 0.822 69.710 68.868 0.033 0.000 1.567 162 T HN 0.923 nan 8.240 nan 0.000 0.549 163 A N 0.058 122.906 122.820 0.047 0.000 1.864 163 A HA 0.454 4.774 4.320 0.000 0.000 0.213 163 A C 1.789 179.355 177.584 -0.030 0.000 1.266 163 A CA 0.213 52.306 52.037 0.093 0.000 0.612 163 A CB -1.126 18.049 19.000 0.291 0.000 0.940 163 A HN 0.635 nan 8.150 nan 0.000 0.463 164 L N 1.602 122.763 121.223 -0.103 0.000 2.922 164 L HA 0.223 4.563 4.340 0.000 0.000 0.244 164 L C 0.987 177.707 176.870 -0.249 0.000 1.324 164 L CA -0.447 54.262 54.840 -0.217 0.000 1.172 164 L CB -0.671 41.187 42.059 -0.334 0.000 1.545 164 L HN 0.407 nan 8.230 nan 0.000 0.438 165 G N -0.939 107.570 108.800 -0.484 0.000 2.444 165 G HA2 0.160 4.120 3.960 0.000 0.000 0.268 165 G HA3 0.160 4.120 3.960 0.000 0.000 0.268 165 G C -0.794 173.839 174.900 -0.446 0.000 1.203 165 G CA -0.448 43.972 45.100 -1.132 0.000 0.835 165 G HN 0.021 nan 8.290 nan 0.000 0.543 166 F N 2.982 122.734 119.950 -0.329 0.000 2.466 166 F HA 0.301 4.828 4.527 0.000 0.000 0.363 166 F C 1.348 177.227 175.800 0.132 0.000 1.109 166 F CA -0.764 57.200 58.000 -0.059 0.000 1.161 166 F CB 0.356 39.284 39.000 -0.120 0.000 1.117 166 F HN 0.527 nan 8.300 nan 0.000 0.539 167 R N 3.218 123.554 120.500 -0.274 0.000 3.863 167 R HA -0.291 4.049 4.340 0.000 0.000 0.313 167 R C 1.021 177.366 176.300 0.076 0.000 1.202 167 R CA 1.132 57.077 56.100 -0.259 0.000 0.852 167 R CB -2.825 27.203 30.300 -0.453 0.000 1.292 167 R HN 0.777 nan 8.270 nan 0.000 0.519 168 H N 0.608 119.660 119.070 -0.030 0.000 2.290 168 H HA -0.056 4.500 4.556 0.000 0.000 0.298 168 H C 2.170 177.534 175.328 0.060 0.000 1.087 168 H CA 2.062 58.157 56.048 0.078 0.000 1.291 168 H CB -0.093 29.689 29.762 0.035 0.000 1.369 168 H HN 0.382 nan 8.280 nan 0.000 0.492 169 R N 0.496 121.083 120.500 0.144 0.000 2.143 169 R HA -0.189 4.151 4.340 0.000 0.000 0.239 169 R C 1.346 177.666 176.300 0.033 0.000 1.126 169 R CA 2.417 58.557 56.100 0.067 0.000 0.927 169 R CB -0.193 30.104 30.300 -0.004 0.000 0.860 169 R HN 0.347 nan 8.270 nan 0.000 0.433 170 D N -0.086 120.283 120.400 -0.052 0.000 2.269 170 D HA -0.085 4.556 4.640 0.000 0.000 0.208 170 D C 1.412 177.654 176.300 -0.096 0.000 0.963 170 D CA 0.823 54.761 54.000 -0.104 0.000 0.864 170 D CB -0.292 40.256 40.800 -0.420 0.000 0.936 170 D HN 0.305 nan 8.370 nan 0.000 0.505 171 D N 0.258 120.626 120.400 -0.055 0.000 2.097 171 D HA -0.091 4.549 4.640 0.000 0.000 0.197 171 D C 2.350 178.623 176.300 -0.045 0.000 0.984 171 D CA 0.405 54.376 54.000 -0.048 0.000 0.826 171 D CB -0.254 40.569 40.800 0.038 0.000 0.973 171 D HN 0.012 nan 8.370 nan 0.000 0.460 172 V N 1.664 121.577 119.914 -0.001 0.000 2.252 172 V HA -0.317 3.803 4.120 0.000 0.000 0.249 172 V C 2.551 178.653 176.094 0.012 0.000 1.056 172 V CA 2.087 64.385 62.300 -0.004 0.000 1.022 172 V CB -1.009 30.832 31.823 0.029 0.000 0.641 172 V HN 0.207 nan 8.190 nan 0.000 0.445 173 A N -0.156 122.697 122.820 0.056 0.000 1.873 173 A HA -0.337 3.983 4.320 0.000 0.000 0.218 173 A C 2.219 179.858 177.584 0.091 0.000 1.193 173 A CA 2.510 54.606 52.037 0.098 0.000 0.629 173 A CB -0.652 18.481 19.000 0.222 0.000 0.826 173 A HN 0.594 nan 8.150 nan 0.000 0.447 174 E N -0.552 119.707 120.200 0.097 0.000 2.072 174 E HA -0.085 4.265 4.350 0.000 0.000 0.191 174 E C 1.836 178.422 176.600 -0.025 0.000 0.985 174 E CA 1.300 57.738 56.400 0.064 0.000 0.801 174 E CB -0.326 29.384 29.700 0.017 0.000 0.750 174 E HN 0.225 nan 8.360 nan 0.000 0.452 175 V N 0.354 120.228 119.914 -0.067 0.000 2.343 175 V HA -0.275 3.845 4.120 0.000 0.000 0.247 175 V C 2.212 178.300 176.094 -0.010 0.000 1.051 175 V CA 2.195 64.445 62.300 -0.084 0.000 1.036 175 V CB -0.799 30.933 31.823 -0.151 0.000 0.654 175 V HN 0.396 nan 8.190 nan 0.000 0.451 176 T N -0.419 114.133 114.554 -0.003 0.000 2.699 176 T HA -0.266 4.084 4.350 0.000 0.000 0.268 176 T C 1.907 176.618 174.700 0.019 0.000 1.036 176 T CA 1.681 63.788 62.100 0.011 0.000 1.147 176 T CB -0.231 68.641 68.868 0.007 0.000 0.862 176 T HN 0.478 nan 8.240 nan 0.000 0.446 177 K N 0.641 121.052 120.400 0.018 0.000 2.009 177 K HA -0.102 4.218 4.320 0.000 0.000 0.210 177 K C 2.207 178.827 176.600 0.033 0.000 1.049 177 K CA 1.496 57.796 56.287 0.023 0.000 0.929 177 K CB -0.449 32.067 32.500 0.028 0.000 0.714 177 K HN 0.339 nan 8.250 nan 0.000 0.440 178 L N -0.470 120.768 121.223 0.025 0.000 2.217 178 L HA -0.022 4.318 4.340 0.000 0.000 0.211 178 L C 1.894 178.810 176.870 0.077 0.000 1.107 178 L CA 1.394 56.258 54.840 0.040 0.000 0.783 178 L CB -0.877 41.163 42.059 -0.031 0.000 0.919 178 L HN 0.027 nan 8.230 nan 0.000 0.442 179 L N 0.470 121.748 121.223 0.092 0.000 2.027 179 L HA -0.108 4.232 4.340 0.000 0.000 0.206 179 L C 2.911 179.818 176.870 0.062 0.000 1.074 179 L CA 1.250 56.151 54.840 0.102 0.000 0.745 179 L CB -0.828 41.299 42.059 0.113 0.000 0.898 179 L HN 0.429 nan 8.230 nan 0.000 0.433 180 A N -0.324 122.522 122.820 0.043 0.000 1.972 180 A HA -0.194 4.126 4.320 0.000 0.000 0.219 180 A C 2.297 179.899 177.584 0.031 0.000 1.169 180 A CA 2.194 54.248 52.037 0.028 0.000 0.635 180 A CB -0.892 18.119 19.000 0.018 0.000 0.810 180 A HN 0.435 nan 8.150 nan 0.000 0.446 181 T N -0.255 114.325 114.554 0.042 0.000 2.803 181 T HA -0.118 4.232 4.350 0.000 0.000 0.269 181 T C 1.605 176.330 174.700 0.042 0.000 1.052 181 T CA 1.638 63.766 62.100 0.047 0.000 1.136 181 T CB -0.249 68.662 68.868 0.071 0.000 0.864 181 T HN 0.451 nan 8.240 nan 0.000 0.467 182 M N 0.235 119.861 119.600 0.043 0.000 2.495 182 M HA 0.267 4.747 4.480 0.000 0.000 0.237 182 M C 1.459 177.772 176.300 0.022 0.000 1.131 182 M CA 0.115 55.433 55.300 0.031 0.000 1.032 182 M CB 0.450 33.069 32.600 0.031 0.000 1.513 182 M HN 0.464 nan 8.290 nan 0.000 0.488 183 G N 1.952 110.764 108.800 0.021 0.000 2.137 183 G HA2 -0.236 3.724 3.960 0.000 0.000 0.237 183 G HA3 -0.236 3.724 3.960 0.000 0.000 0.237 183 G C -0.138 174.767 174.900 0.008 0.000 1.002 183 G CA -0.217 44.889 45.100 0.010 0.000 0.702 183 G HN 0.473 nan 8.290 nan 0.000 0.515 184 I N 0.564 121.149 120.570 0.024 0.000 2.354 184 I HA 0.420 4.590 4.170 0.000 0.000 0.292 184 I C 0.336 176.455 176.117 0.003 0.000 0.989 184 I CA -0.682 60.633 61.300 0.024 0.000 1.188 184 I CB 1.541 39.599 38.000 0.097 0.000 1.342 184 I HN -0.087 nan 8.210 nan 0.000 0.457 185 K N 5.699 126.084 120.400 -0.026 0.000 2.182 185 K HA 0.520 4.840 4.320 0.000 0.000 0.262 185 K C -0.664 175.905 176.600 -0.051 0.000 0.957 185 K CA -0.909 55.361 56.287 -0.029 0.000 0.842 185 K CB 2.499 34.983 32.500 -0.026 0.000 1.099 185 K HN 0.482 nan 8.250 nan 0.000 0.438 186 V N 0.444 120.332 119.914 -0.043 0.000 2.572 186 V HA 0.025 4.145 4.120 0.000 0.000 0.291 186 V C 0.995 177.062 176.094 -0.046 0.000 1.039 186 V CA -0.418 61.847 62.300 -0.058 0.000 1.055 186 V CB 0.790 32.590 31.823 -0.039 0.000 0.969 186 V HN 0.806 nan 8.190 nan 0.000 0.482 187 N N 4.046 122.712 118.700 -0.056 0.000 2.158 187 N HA -0.005 4.735 4.740 0.000 0.000 0.190 187 N C 0.500 176.003 175.510 -0.012 0.000 1.060 187 N CA 1.620 54.653 53.050 -0.029 0.000 0.872 187 N CB 0.061 38.531 38.487 -0.028 0.000 1.055 187 N HN 0.964 nan 8.380 nan 0.000 0.452 188 V N -2.340 117.572 119.914 -0.004 0.000 2.919 188 V HA 0.568 4.688 4.120 0.000 0.000 0.316 188 V C -0.839 175.263 176.094 0.014 0.000 1.077 188 V CA -1.187 61.120 62.300 0.013 0.000 0.977 188 V CB 1.339 33.182 31.823 0.034 0.000 1.039 188 V HN 0.392 nan 8.190 nan 0.000 0.441 189 C N 4.523 123.833 119.300 0.017 0.000 2.316 189 C HA 0.932 5.392 4.460 0.000 0.000 0.324 189 C C 0.310 175.306 174.990 0.011 0.000 1.226 189 C CA 0.485 59.509 59.018 0.010 0.000 1.450 189 C CB -0.491 27.249 27.740 0.001 0.000 2.123 189 C HN 1.559 nan 8.230 nan 0.000 0.454 190 A N 7.028 129.852 122.820 0.008 0.000 2.413 190 A HA 0.843 5.163 4.320 0.000 0.000 0.307 190 A C -2.288 175.043 177.584 -0.422 0.000 1.087 190 A CA -1.222 50.782 52.037 -0.056 0.000 0.750 190 A CB 1.422 20.557 19.000 0.224 0.000 1.296 190 A HN 0.540 nan 8.150 nan 0.000 0.423 191 P HA -0.057 nan 4.420 nan 0.000 0.216 191 P C 0.632 177.869 177.300 -0.105 0.000 1.153 191 P CA 0.270 63.199 63.100 -0.287 0.000 0.844 191 P CB -0.070 31.456 31.700 -0.290 0.000 0.787 192 L N 0.425 121.602 121.223 -0.077 0.000 2.810 192 L HA 0.099 4.439 4.340 0.000 0.000 0.279 192 L C 1.334 178.208 176.870 0.006 0.000 1.144 192 L CA 1.595 56.434 54.840 -0.001 0.000 0.998 192 L CB -1.398 40.695 42.059 0.056 0.000 1.342 192 L HN 0.440 nan 8.230 nan 0.000 0.473 193 G N 2.557 111.362 108.800 0.008 0.000 2.234 193 G HA2 -0.193 3.768 3.960 0.000 0.000 0.235 193 G HA3 -0.193 3.768 3.960 0.000 0.000 0.235 193 G C 0.476 175.382 174.900 0.009 0.000 0.997 193 G CA 0.153 45.259 45.100 0.011 0.000 0.623 193 G HN 1.243 nan 8.290 nan 0.000 0.514 194 A N 0.320 123.147 122.820 0.011 0.000 2.332 194 A HA 0.771 5.092 4.320 0.000 0.000 0.258 194 A C 0.824 178.419 177.584 0.019 0.000 1.087 194 A CA 1.016 53.067 52.037 0.023 0.000 0.802 194 A CB 0.563 19.592 19.000 0.048 0.000 1.042 194 A HN 1.910 nan 8.150 nan 0.000 0.489 195 S N 1.045 116.757 115.700 0.021 0.000 2.638 195 S HA 0.577 5.048 4.470 0.000 0.000 0.298 195 S C -2.265 172.351 174.600 0.026 0.000 1.111 195 S CA -1.346 56.864 58.200 0.016 0.000 1.027 195 S CB 1.391 64.597 63.200 0.010 0.000 1.064 195 S HN 0.362 nan 8.310 nan 0.000 0.525 196 P HA -0.178 nan 4.420 nan 0.000 0.218 196 P C 0.651 177.966 177.300 0.024 0.000 1.152 196 P CA 1.526 64.641 63.100 0.025 0.000 0.857 196 P CB -0.058 31.653 31.700 0.017 0.000 0.787 197 D N -0.897 119.515 120.400 0.020 0.000 2.097 197 D HA -0.158 4.483 4.640 0.000 0.000 0.195 197 D C 1.644 177.957 176.300 0.023 0.000 0.989 197 D CA 1.074 55.085 54.000 0.019 0.000 0.827 197 D CB -0.905 39.904 40.800 0.015 0.000 0.966 197 D HN 0.182 nan 8.370 nan 0.000 0.456 198 D N 0.247 120.662 120.400 0.026 0.000 2.116 198 D HA -0.145 4.495 4.640 0.000 0.000 0.193 198 D C 2.225 178.549 176.300 0.040 0.000 0.998 198 D CA 0.500 54.518 54.000 0.031 0.000 0.836 198 D CB -0.290 40.529 40.800 0.033 0.000 0.951 198 D HN 0.095 nan 8.370 nan 0.000 0.449 199 L N 1.048 122.301 121.223 0.051 0.000 2.089 199 L HA -0.185 4.155 4.340 0.000 0.000 0.213 199 L C 2.406 179.297 176.870 0.034 0.000 1.079 199 L CA 1.471 56.344 54.840 0.055 0.000 0.758 199 L CB -0.427 41.668 42.059 0.059 0.000 0.891 199 L HN 0.005 nan 8.230 nan 0.000 0.433 200 R N -0.604 119.912 120.500 0.027 0.000 2.148 200 R HA -0.111 4.229 4.340 0.000 0.000 0.227 200 R C 1.143 177.456 176.300 0.022 0.000 1.103 200 R CA 0.908 57.021 56.100 0.021 0.000 0.983 200 R CB -0.185 30.126 30.300 0.018 0.000 0.874 200 R HN 0.312 nan 8.270 nan 0.000 0.451 201 K N 0.498 120.912 120.400 0.024 0.000 2.570 201 K HA 0.163 4.483 4.320 0.000 0.000 0.210 201 K C 1.023 177.638 176.600 0.025 0.000 1.048 201 K CA -0.166 56.135 56.287 0.023 0.000 1.167 201 K CB 0.490 33.002 32.500 0.021 0.000 0.892 201 K HN 0.053 nan 8.250 nan 0.000 0.480 202 L N -0.265 120.976 121.223 0.029 0.000 2.109 202 L HA -0.048 4.292 4.340 0.000 0.000 0.207 202 L C 2.324 179.210 176.870 0.026 0.000 1.086 202 L CA 1.234 56.092 54.840 0.031 0.000 0.760 202 L CB -0.290 41.790 42.059 0.036 0.000 0.910 202 L HN 0.413 nan 8.230 nan 0.000 0.437 203 G N -0.031 108.782 108.800 0.022 0.000 2.448 203 G HA2 -0.280 3.680 3.960 0.000 0.000 0.219 203 G HA3 -0.280 3.680 3.960 0.000 0.000 0.219 203 G C 1.389 176.302 174.900 0.021 0.000 1.127 203 G CA 0.766 45.876 45.100 0.016 0.000 0.766 203 G HN 0.616 nan 8.290 nan 0.000 0.552 204 Q N -0.080 119.736 119.800 0.028 0.000 2.444 204 Q HA 0.545 4.885 4.340 0.000 0.000 0.206 204 Q C 1.177 177.222 176.000 0.074 0.000 0.948 204 Q CA 0.327 56.154 55.803 0.040 0.000 0.946 204 Q CB 0.036 28.796 28.738 0.037 0.000 1.027 204 Q HN 0.293 nan 8.270 nan 0.000 0.513 205 A N 0.661 123.518 122.820 0.061 0.000 2.386 205 A HA 0.152 4.472 4.320 0.000 0.000 0.248 205 A C -0.180 177.500 177.584 0.160 0.000 1.082 205 A CA -0.329 51.756 52.037 0.080 0.000 0.789 205 A CB 0.302 19.294 19.000 -0.013 0.000 1.025 205 A HN 0.384 nan 8.150 nan 0.000 0.490 206 H N 0.049 119.139 119.070 0.034 0.000 2.395 206 H HA 0.197 4.753 4.556 0.000 0.000 0.299 206 H C 0.157 175.641 175.328 0.260 0.000 1.070 206 H CA 2.181 58.316 56.048 0.145 0.000 1.356 206 H CB -0.099 29.800 29.762 0.228 0.000 1.401 206 H HN 0.659 nan 8.280 nan 0.000 0.524 207 F N -2.632 117.413 119.950 0.160 0.000 2.779 207 F HA 0.505 5.032 4.527 0.000 0.000 0.316 207 F C -1.490 174.382 175.800 0.120 0.000 1.164 207 F CA -1.460 56.609 58.000 0.115 0.000 0.924 207 F CB 1.309 40.362 39.000 0.088 0.000 1.348 207 F HN -0.350 nan 8.300 nan 0.000 0.467 208 N N 0.862 119.707 118.700 0.242 0.000 2.321 208 N HA 0.493 5.233 4.740 0.000 0.000 0.299 208 N C -1.524 174.167 175.510 0.302 0.000 1.048 208 N CA -0.565 52.565 53.050 0.134 0.000 0.836 208 N CB 2.715 41.312 38.487 0.185 0.000 1.269 208 N HN 0.517 nan 8.380 nan 0.000 0.486 209 V N 2.430 122.443 119.914 0.166 0.000 2.385 209 V HA 0.205 4.325 4.120 0.000 0.000 0.269 209 V C 0.647 176.849 176.094 0.180 0.000 1.043 209 V CA -0.641 61.827 62.300 0.281 0.000 0.906 209 V CB 1.157 33.130 31.823 0.251 0.000 0.995 209 V HN 0.474 nan 8.190 nan 0.000 0.467 210 L N 6.403 127.768 121.223 0.237 0.000 2.334 210 L HA 0.273 4.614 4.340 0.000 0.000 0.286 210 L C 1.128 177.987 176.870 -0.018 0.000 1.108 210 L CA -0.025 54.898 54.840 0.137 0.000 0.875 210 L CB 0.815 43.026 42.059 0.253 0.000 1.246 210 L HN 0.789 nan 8.230 nan 0.000 0.439 211 M N 3.830 123.322 119.600 -0.181 0.000 2.123 211 M HA -0.091 4.390 4.480 0.000 0.000 0.263 211 M C -0.417 175.425 176.300 -0.763 0.000 1.069 211 M CA 1.721 56.685 55.300 -0.560 0.000 1.133 211 M CB 0.084 32.240 32.600 -0.740 0.000 1.356 211 M HN 0.421 nan 8.290 nan 0.000 0.415 212 Y N -1.543 118.723 120.300 -0.057 0.000 2.402 212 Y HA 0.273 4.823 4.550 0.000 0.000 0.325 212 Y C -1.983 173.935 175.900 0.031 0.000 1.009 212 Y CA -2.217 55.872 58.100 -0.019 0.000 1.278 212 Y CB 0.438 38.899 38.460 0.002 0.000 1.105 212 Y HN -0.001 nan 8.280 nan 0.000 0.476 213 P HA -0.237 nan 4.420 nan 0.000 0.216 213 P C 1.277 178.656 177.300 0.132 0.000 1.153 213 P CA 1.808 64.982 63.100 0.122 0.000 0.858 213 P CB 0.387 32.150 31.700 0.106 0.000 0.789 214 E N -0.513 119.776 120.200 0.148 0.000 2.267 214 E HA -0.153 4.197 4.350 0.000 0.000 0.197 214 E C 1.087 177.768 176.600 0.136 0.000 0.998 214 E CA 1.973 58.451 56.400 0.130 0.000 0.830 214 E CB -1.508 28.260 29.700 0.114 0.000 0.751 214 E HN 0.386 nan 8.360 nan 0.000 0.491 215 T N -4.267 110.384 114.554 0.161 0.000 3.091 215 T HA 0.487 4.837 4.350 0.000 0.000 0.277 215 T C 1.262 176.077 174.700 0.191 0.000 0.996 215 T CA 0.081 62.270 62.100 0.148 0.000 0.897 215 T CB 0.820 69.767 68.868 0.132 0.000 1.109 215 T HN 0.210 nan 8.240 nan 0.000 0.534 216 G N 0.954 109.869 108.800 0.191 0.000 2.626 216 G HA2 0.173 4.133 3.960 0.000 0.000 0.193 216 G HA3 0.173 4.133 3.960 0.000 0.000 0.193 216 G C 0.973 175.930 174.900 0.095 0.000 1.195 216 G CA 0.435 45.682 45.100 0.244 0.000 0.864 216 G HN 0.402 nan 8.290 nan 0.000 0.790 217 E N 1.423 121.644 120.200 0.034 0.000 2.048 217 E HA -0.199 4.151 4.350 0.000 0.000 0.202 217 E C 2.460 178.990 176.600 -0.117 0.000 1.021 217 E CA 2.153 58.507 56.400 -0.076 0.000 0.825 217 E CB -0.438 29.270 29.700 0.014 0.000 0.756 217 E HN 0.209 nan 8.360 nan 0.000 0.454 218 S N -0.667 115.015 115.700 -0.030 0.000 2.372 218 S HA -0.273 4.197 4.470 0.000 0.000 0.227 218 S C 1.913 176.454 174.600 -0.097 0.000 1.044 218 S CA 1.437 59.610 58.200 -0.045 0.000 1.050 218 S CB -0.563 62.619 63.200 -0.030 0.000 0.901 218 S HN 0.550 nan 8.310 nan 0.000 0.447 219 A N 0.722 123.457 122.820 -0.141 0.000 1.968 219 A HA 0.287 4.608 4.320 0.000 0.000 0.217 219 A C 2.296 179.776 177.584 -0.174 0.000 1.169 219 A CA 1.503 53.388 52.037 -0.253 0.000 0.638 219 A CB -0.900 17.697 19.000 -0.673 0.000 0.812 219 A HN 0.536 nan 8.150 nan 0.000 0.446 220 A N 0.241 122.920 122.820 -0.235 0.000 1.902 220 A HA -0.169 4.151 4.320 0.000 0.000 0.217 220 A C 2.235 179.592 177.584 -0.378 0.000 1.181 220 A CA 1.505 53.304 52.037 -0.396 0.000 0.623 220 A CB -0.481 18.008 19.000 -0.852 0.000 0.818 220 A HN 0.545 nan 8.150 nan 0.000 0.443 221 R N -1.598 118.689 120.500 -0.355 0.000 2.083 221 R HA -0.202 4.138 4.340 0.000 0.000 0.237 221 R C 2.279 178.574 176.300 -0.008 0.000 1.137 221 R CA 1.802 57.850 56.100 -0.086 0.000 0.951 221 R CB -0.699 29.587 30.300 -0.023 0.000 0.851 221 R HN 0.801 nan 8.270 nan 0.000 0.434 222 H N 1.033 120.046 119.070 -0.095 0.000 2.289 222 H HA -0.093 4.463 4.556 0.000 0.000 0.296 222 H C 1.841 177.140 175.328 -0.048 0.000 1.091 222 H CA 1.847 57.852 56.048 -0.073 0.000 1.274 222 H CB -0.265 29.429 29.762 -0.113 0.000 1.364 222 H HN 0.072 nan 8.280 nan 0.000 0.490 223 L N 0.136 121.303 121.223 -0.093 0.000 2.456 223 L HA -0.082 4.259 4.340 0.000 0.000 0.224 223 L C 2.458 179.303 176.870 -0.042 0.000 1.148 223 L CA 1.195 55.981 54.840 -0.091 0.000 0.825 223 L CB -0.342 41.711 42.059 -0.010 0.000 0.937 223 L HN 0.512 nan 8.230 nan 0.000 0.450 224 E N 0.623 120.826 120.200 0.006 0.000 2.008 224 E HA -0.197 4.153 4.350 0.000 0.000 0.191 224 E C 2.266 178.862 176.600 -0.007 0.000 0.986 224 E CA 0.720 57.166 56.400 0.076 0.000 0.807 224 E CB 0.095 29.916 29.700 0.201 0.000 0.766 224 E HN 0.232 nan 8.360 nan 0.000 0.450 225 R N 0.019 120.490 120.500 -0.048 0.000 2.154 225 R HA -0.227 4.113 4.340 0.000 0.000 0.236 225 R C 2.403 178.626 176.300 -0.128 0.000 1.121 225 R CA 2.020 58.070 56.100 -0.084 0.000 0.915 225 R CB -0.543 29.694 30.300 -0.106 0.000 0.856 225 R HN 0.306 nan 8.270 nan 0.000 0.431 226 A N -0.747 121.919 122.820 -0.256 0.000 1.968 226 A HA -0.109 4.211 4.320 0.000 0.000 0.217 226 A C 1.772 179.281 177.584 -0.126 0.000 1.169 226 A CA 1.347 53.239 52.037 -0.241 0.000 0.638 226 A CB 0.030 18.758 19.000 -0.453 0.000 0.812 226 A HN 0.557 nan 8.150 nan 0.000 0.446 227 C N -0.922 118.320 119.300 -0.098 0.000 3.385 227 C HA 0.298 4.758 4.460 0.000 0.000 0.288 227 C C 0.136 175.114 174.990 -0.021 0.000 1.429 227 C CA -0.386 58.605 59.018 -0.044 0.000 1.778 227 C CB -0.115 27.610 27.740 -0.026 0.000 2.503 227 C HN 0.605 nan 8.230 nan 0.000 0.646 228 K N 0.395 120.784 120.400 -0.018 0.000 3.016 228 K HA -0.249 4.071 4.320 0.000 0.000 0.262 228 K C -0.480 176.136 176.600 0.028 0.000 1.043 228 K CA 1.002 57.289 56.287 -0.000 0.000 0.761 228 K CB -2.313 30.178 32.500 -0.015 0.000 1.230 228 K HN 0.710 nan 8.250 nan 0.000 0.485 229 Q N 1.404 121.240 119.800 0.060 0.000 2.322 229 Q HA 0.274 4.614 4.340 0.000 0.000 0.256 229 Q C -2.003 174.106 176.000 0.181 0.000 0.960 229 Q CA -1.805 54.072 55.803 0.124 0.000 0.934 229 Q CB 1.308 30.126 28.738 0.133 0.000 1.200 229 Q HN 0.081 nan 8.270 nan 0.000 0.435 230 P HA 0.106 nan 4.420 nan 0.000 0.274 230 P C -1.067 176.394 177.300 0.269 0.000 1.246 230 P CA -0.211 62.964 63.100 0.125 0.000 0.795 230 P CB 0.505 32.202 31.700 -0.006 0.000 1.006 231 F N -2.432 117.586 119.950 0.114 0.000 2.577 231 F HA 0.623 5.150 4.527 0.000 0.000 0.318 231 F C 0.014 175.893 175.800 0.132 0.000 1.065 231 F CA -1.193 56.904 58.000 0.162 0.000 0.929 231 F CB 0.532 39.611 39.000 0.131 0.000 1.237 231 F HN 0.233 nan 8.300 nan 0.000 0.468 232 T N -0.837 113.897 114.554 0.301 0.000 2.870 232 T HA 0.265 4.615 4.350 0.000 0.000 0.300 232 T C 0.220 175.027 174.700 0.180 0.000 0.989 232 T CA -0.628 61.580 62.100 0.179 0.000 1.139 232 T CB 1.208 70.288 68.868 0.353 0.000 0.920 232 T HN 0.794 nan 8.240 nan 0.000 0.537 233 K N 1.782 122.206 120.400 0.040 0.000 2.374 233 K HA 0.409 4.729 4.320 0.000 0.000 0.196 233 K C -0.187 176.470 176.600 0.094 0.000 1.023 233 K CA 0.084 56.405 56.287 0.056 0.000 1.103 233 K CB 0.152 32.622 32.500 -0.049 0.000 0.848 233 K HN 0.681 nan 8.250 nan 0.000 0.528 234 I N 1.015 121.672 120.570 0.145 0.000 2.389 234 I HA 0.179 4.349 4.170 0.000 0.000 0.288 234 I C -0.735 175.452 176.117 0.116 0.000 0.999 234 I CA -1.148 60.235 61.300 0.139 0.000 1.129 234 I CB 2.059 40.152 38.000 0.156 0.000 1.288 234 I HN -0.337 nan 8.210 nan 0.000 0.444 235 V N 8.459 128.368 119.914 -0.009 0.000 2.405 235 V HA 0.172 4.292 4.120 0.000 0.000 0.264 235 V C -1.805 174.174 176.094 -0.192 0.000 1.048 235 V CA -1.361 60.845 62.300 -0.157 0.000 0.966 235 V CB 0.399 32.129 31.823 -0.156 0.000 1.015 235 V HN 0.584 nan 8.190 nan 0.000 0.477 236 P HA 0.253 nan 4.420 nan 0.000 0.249 236 P C -0.487 176.678 177.300 -0.224 0.000 1.737 236 P CA 0.385 63.293 63.100 -0.320 0.000 1.128 236 P CB -0.069 31.248 31.700 -0.639 0.000 1.942 237 I N 1.722 122.224 120.570 -0.115 0.000 2.418 237 I HA 0.589 4.759 4.170 0.000 0.000 0.287 237 I C 0.589 176.706 176.117 -0.000 0.000 1.008 237 I CA -0.171 61.097 61.300 -0.054 0.000 1.104 237 I CB 1.784 39.778 38.000 -0.010 0.000 1.264 237 I HN 0.372 nan 8.210 nan 0.000 0.438 238 G N 3.615 112.413 108.800 -0.004 0.000 2.663 238 G HA2 -0.116 3.844 3.960 0.000 0.000 0.686 238 G HA3 -0.116 3.844 3.960 0.000 0.000 0.686 238 G C 0.159 175.096 174.900 0.062 0.000 1.246 238 G CA -0.559 44.556 45.100 0.025 0.000 0.795 238 G HN 0.378 nan 8.290 nan 0.000 0.627 239 V N 1.825 121.801 119.914 0.102 0.000 2.261 239 V HA -0.025 4.095 4.120 0.000 0.000 0.246 239 V C 3.213 179.405 176.094 0.163 0.000 1.047 239 V CA 3.375 65.786 62.300 0.184 0.000 1.015 239 V CB -1.224 30.684 31.823 0.142 0.000 0.642 239 V HN 1.582 nan 8.190 nan 0.000 0.446 240 G N -0.418 108.450 108.800 0.113 0.000 2.446 240 G HA2 -0.222 3.738 3.960 0.000 0.000 0.217 240 G HA3 -0.222 3.738 3.960 0.000 0.000 0.217 240 G C 1.764 176.722 174.900 0.097 0.000 1.168 240 G CA 1.139 46.298 45.100 0.099 0.000 0.771 240 G HN 0.618 nan 8.290 nan 0.000 0.551 241 A N 0.137 123.008 122.820 0.085 0.000 1.898 241 A HA 0.009 4.329 4.320 0.000 0.000 0.216 241 A C 2.527 180.167 177.584 0.093 0.000 1.181 241 A CA 2.402 54.485 52.037 0.076 0.000 0.620 241 A CB -0.945 18.084 19.000 0.048 0.000 0.819 241 A HN 0.294 nan 8.150 nan 0.000 0.442 242 T N -0.180 114.414 114.554 0.066 0.000 2.684 242 T HA -0.162 4.189 4.350 0.000 0.000 0.267 242 T C 2.082 176.878 174.700 0.160 0.000 1.036 242 T CA 1.482 63.613 62.100 0.051 0.000 1.148 242 T CB -0.266 68.539 68.868 -0.106 0.000 0.863 242 T HN 0.448 nan 8.240 nan 0.000 0.436 243 R N 1.057 121.661 120.500 0.174 0.000 2.083 243 R HA -0.106 4.234 4.340 0.000 0.000 0.237 243 R C 2.099 178.463 176.300 0.108 0.000 1.137 243 R CA 1.632 57.828 56.100 0.160 0.000 0.951 243 R CB -0.544 29.841 30.300 0.142 0.000 0.851 243 R HN 0.436 nan 8.270 nan 0.000 0.434 244 D N 0.092 120.553 120.400 0.102 0.000 2.178 244 D HA -0.151 4.489 4.640 0.000 0.000 0.202 244 D C 1.548 177.894 176.300 0.076 0.000 0.974 244 D CA 0.791 54.833 54.000 0.070 0.000 0.841 244 D CB -0.321 40.519 40.800 0.066 0.000 0.953 244 D HN 0.147 nan 8.370 nan 0.000 0.478 245 F N 1.174 121.112 119.950 -0.019 0.000 2.146 245 F HA -0.043 4.484 4.527 0.000 0.000 0.298 245 F C 1.967 177.747 175.800 -0.033 0.000 1.096 245 F CA 0.930 58.911 58.000 -0.031 0.000 1.275 245 F CB -0.221 38.752 39.000 -0.044 0.000 1.008 245 F HN -0.143 nan 8.300 nan 0.000 0.480 246 L N 0.149 121.344 121.223 -0.048 0.000 2.046 246 L HA -0.172 4.168 4.340 0.000 0.000 0.208 246 L C 2.851 179.611 176.870 -0.183 0.000 1.077 246 L CA 1.175 55.923 54.840 -0.154 0.000 0.747 246 L CB -1.198 40.878 42.059 0.029 0.000 0.896 246 L HN 0.258 nan 8.230 nan 0.000 0.432 247 A N -0.495 122.263 122.820 -0.103 0.000 1.940 247 A HA -0.263 4.057 4.320 0.000 0.000 0.219 247 A C 2.269 179.755 177.584 -0.163 0.000 1.176 247 A CA 1.843 53.819 52.037 -0.101 0.000 0.631 247 A CB -0.505 18.464 19.000 -0.051 0.000 0.814 247 A HN 0.452 nan 8.150 nan 0.000 0.446 248 E N -0.303 119.773 120.200 -0.207 0.000 2.051 248 E HA -0.143 4.207 4.350 0.000 0.000 0.192 248 E C 1.990 178.376 176.600 -0.357 0.000 0.991 248 E CA 1.530 57.782 56.400 -0.247 0.000 0.799 248 E CB -0.129 29.437 29.700 -0.223 0.000 0.748 248 E HN 0.368 nan 8.360 nan 0.000 0.449 249 V N 0.553 120.168 119.914 -0.498 0.000 2.343 249 V HA -0.257 3.863 4.120 0.000 0.000 0.247 249 V C 2.479 178.328 176.094 -0.407 0.000 1.051 249 V CA 1.876 63.832 62.300 -0.574 0.000 1.036 249 V CB -0.591 30.889 31.823 -0.572 0.000 0.654 249 V HN 0.278 nan 8.190 nan 0.000 0.451 250 S N -0.642 114.895 115.700 -0.272 0.000 2.359 250 S HA -0.276 4.194 4.470 0.000 0.000 0.224 250 S C 2.240 176.736 174.600 -0.172 0.000 1.035 250 S CA 1.743 59.834 58.200 -0.181 0.000 1.018 250 S CB -0.294 62.832 63.200 -0.125 0.000 0.876 250 S HN 0.423 nan 8.310 nan 0.000 0.448 251 K N 0.803 121.095 120.400 -0.179 0.000 2.063 251 K HA -0.014 4.306 4.320 0.000 0.000 0.208 251 K C 1.997 178.492 176.600 -0.175 0.000 1.048 251 K CA 1.526 57.721 56.287 -0.152 0.000 0.928 251 K CB -0.624 31.789 32.500 -0.145 0.000 0.713 251 K HN 0.533 nan 8.250 nan 0.000 0.442 252 I N 0.426 120.838 120.570 -0.264 0.000 2.439 252 I HA -0.211 3.959 4.170 0.000 0.000 0.251 252 I C 2.000 177.973 176.117 -0.239 0.000 1.139 252 I CA 1.543 62.661 61.300 -0.302 0.000 1.438 252 I CB -0.137 37.533 38.000 -0.549 0.000 1.085 252 I HN 0.217 nan 8.210 nan 0.000 0.427 253 T N -3.379 111.033 114.554 -0.236 0.000 3.018 253 T HA 0.343 4.693 4.350 0.000 0.000 0.246 253 T C 1.668 176.336 174.700 -0.054 0.000 1.026 253 T CA 0.522 62.556 62.100 -0.108 0.000 1.081 253 T CB 0.733 69.539 68.868 -0.103 0.000 0.970 253 T HN 0.400 nan 8.240 nan 0.000 0.475 254 G N 1.633 110.386 108.800 -0.079 0.000 2.217 254 G HA2 -0.207 3.753 3.960 0.000 0.000 0.246 254 G HA3 -0.207 3.753 3.960 0.000 0.000 0.246 254 G C 0.003 174.877 174.900 -0.044 0.000 0.990 254 G CA 0.053 45.122 45.100 -0.051 0.000 0.627 254 G HN 0.623 nan 8.290 nan 0.000 0.522 255 L N 2.347 123.541 121.223 -0.048 0.000 2.439 255 L HA 0.449 4.789 4.340 0.000 0.000 0.269 255 L C -1.488 175.357 176.870 -0.041 0.000 1.179 255 L CA -1.839 52.979 54.840 -0.036 0.000 0.828 255 L CB 0.332 42.374 42.059 -0.028 0.000 1.106 255 L HN 0.011 nan 8.230 nan 0.000 0.467 256 P HA 0.146 nan 4.420 nan 0.000 0.279 256 P C -0.897 176.392 177.300 -0.019 0.000 1.252 256 P CA -0.586 62.500 63.100 -0.025 0.000 0.811 256 P CB 0.935 32.626 31.700 -0.015 0.000 1.035 257 V N 0.228 120.132 119.914 -0.017 0.000 2.529 257 V HA 0.280 4.400 4.120 0.000 0.000 0.292 257 V C -0.062 176.043 176.094 0.019 0.000 1.028 257 V CA -0.098 62.203 62.300 0.001 0.000 1.074 257 V CB -0.029 31.799 31.823 0.009 0.000 0.958 257 V HN 0.219 nan 8.190 nan 0.000 0.481 258 V N 4.648 124.583 119.914 0.035 0.000 2.638 258 V HA 0.744 4.864 4.120 0.000 0.000 0.306 258 V C 0.162 176.305 176.094 0.081 0.000 1.052 258 V CA 0.133 62.460 62.300 0.044 0.000 0.885 258 V CB 2.079 33.920 31.823 0.031 0.000 0.999 258 V HN 1.204 nan 8.190 nan 0.000 0.424 259 T N -0.628 113.983 114.554 0.095 0.000 2.876 259 T HA 0.564 4.914 4.350 0.000 0.000 0.289 259 T C -1.100 173.666 174.700 0.111 0.000 1.014 259 T CA -0.662 61.538 62.100 0.166 0.000 0.986 259 T CB 2.080 71.084 68.868 0.227 0.000 1.021 259 T HN 0.524 nan 8.240 nan 0.000 0.458 260 D N 1.465 121.953 120.400 0.147 0.000 2.467 260 D HA 0.241 4.881 4.640 0.000 0.000 0.220 260 D C 0.370 176.701 176.300 0.052 0.000 1.103 260 D CA -0.472 53.576 54.000 0.080 0.000 0.886 260 D CB 0.845 41.690 40.800 0.075 0.000 1.025 260 D HN 0.696 nan 8.370 nan 0.000 0.514 261 E N 1.023 121.177 120.200 -0.077 0.000 2.499 261 E HA -0.006 4.344 4.350 0.000 0.000 0.199 261 E C 1.331 177.839 176.600 -0.152 0.000 1.016 261 E CA -0.030 56.223 56.400 -0.244 0.000 0.933 261 E CB 0.367 29.840 29.700 -0.378 0.000 1.050 261 E HN 0.389 nan 8.360 nan 0.000 0.462 262 S N -0.219 115.438 115.700 -0.073 0.000 2.584 262 S HA -0.096 4.374 4.470 0.000 0.000 0.240 262 S C 1.563 176.133 174.600 -0.050 0.000 0.975 262 S CA 1.044 59.211 58.200 -0.054 0.000 0.949 262 S CB 0.042 63.224 63.200 -0.030 0.000 0.761 262 S HN 0.128 nan 8.310 nan 0.000 0.536 263 T N 0.317 114.836 114.554 -0.058 0.000 3.192 263 T HA 0.339 4.689 4.350 0.000 0.000 0.295 263 T C -0.186 174.469 174.700 -0.075 0.000 0.947 263 T CA -0.479 61.593 62.100 -0.047 0.000 0.916 263 T CB -0.085 68.775 68.868 -0.013 0.000 1.169 263 T HN 0.375 nan 8.240 nan 0.000 0.540 264 L N 2.854 124.006 121.223 -0.117 0.000 2.295 264 L HA 0.516 4.856 4.340 0.000 0.000 0.288 264 L C 0.601 177.392 176.870 -0.132 0.000 1.079 264 L CA 0.109 54.859 54.840 -0.150 0.000 0.830 264 L CB 0.416 42.272 42.059 -0.339 0.000 1.200 264 L HN 0.216 nan 8.230 nan 0.000 0.438 265 R N 1.803 122.192 120.500 -0.184 0.000 2.344 265 R HA 0.014 4.354 4.340 0.000 0.000 0.209 265 R C 1.632 177.829 176.300 -0.171 0.000 0.886 265 R CA -0.111 55.871 56.100 -0.197 0.000 1.040 265 R CB 0.367 30.330 30.300 -0.563 0.000 1.114 265 R HN 0.690 nan 8.270 nan 0.000 0.547 266 Q N 1.953 121.601 119.800 -0.253 0.000 2.077 266 Q HA -0.139 4.201 4.340 0.000 0.000 0.206 266 Q C -1.041 174.862 176.000 -0.162 0.000 0.989 266 Q CA 1.851 57.474 55.803 -0.300 0.000 0.853 266 Q CB -0.742 27.898 28.738 -0.164 0.000 0.907 266 Q HN 0.126 nan 8.270 nan 0.000 0.418 267 P HA -0.214 nan 4.420 nan 0.000 0.215 267 P C 1.067 178.435 177.300 0.114 0.000 1.157 267 P CA 1.606 64.730 63.100 0.040 0.000 0.874 267 P CB -0.751 30.982 31.700 0.055 0.000 0.790 268 W N -1.167 120.141 121.300 0.013 0.000 2.409 268 W HA -0.122 4.538 4.660 0.000 0.000 0.299 268 W C 1.876 178.420 176.519 0.041 0.000 1.203 268 W CA 0.631 58.004 57.345 0.048 0.000 1.298 268 W CB -0.923 28.595 29.460 0.096 0.000 1.127 268 W HN 0.008 nan 8.180 nan 0.000 0.528 269 W N 0.572 121.586 121.300 -0.476 0.000 2.304 269 W HA -0.297 4.363 4.660 0.000 0.000 0.315 269 W C 2.798 178.920 176.519 -0.663 0.000 1.233 269 W CA 1.808 58.713 57.345 -0.734 0.000 1.261 269 W CB -1.122 27.690 29.460 -1.081 0.000 1.150 269 W HN -0.103 nan 8.180 nan 0.000 0.494 270 S N -0.396 115.091 115.700 -0.356 0.000 2.428 270 S HA -0.023 4.447 4.470 0.000 0.000 0.230 270 S C 1.777 176.320 174.600 -0.096 0.000 1.014 270 S CA 1.210 59.381 58.200 -0.049 0.000 0.957 270 S CB -0.244 62.998 63.200 0.069 0.000 0.784 270 S HN 0.184 nan 8.310 nan 0.000 0.499 271 A N 1.151 123.867 122.820 -0.173 0.000 1.970 271 A HA 0.192 4.512 4.320 0.000 0.000 0.216 271 A C 1.359 178.733 177.584 -0.350 0.000 1.170 271 A CA 0.801 52.746 52.037 -0.153 0.000 0.645 271 A CB -0.829 18.182 19.000 0.019 0.000 0.816 271 A HN 0.658 nan 8.150 nan 0.000 0.447 272 S N -0.617 114.633 115.700 -0.750 0.000 2.566 272 S HA 0.162 4.632 4.470 0.000 0.000 0.280 272 S C 0.996 175.354 174.600 -0.403 0.000 1.343 272 S CA 0.045 57.696 58.200 -0.916 0.000 1.036 272 S CB 1.078 63.522 63.200 -1.259 0.000 0.866 272 S HN 0.348 nan 8.310 nan 0.000 0.526 273 V N 1.896 121.641 119.914 -0.281 0.000 2.688 273 V HA -0.154 3.966 4.120 0.000 0.000 0.256 273 V C 1.371 177.431 176.094 -0.055 0.000 1.084 273 V CA 2.263 64.494 62.300 -0.115 0.000 1.103 273 V CB -1.145 30.639 31.823 -0.065 0.000 0.688 273 V HN 0.934 nan 8.190 nan 0.000 0.480 274 D N -0.931 119.409 120.400 -0.101 0.000 2.350 274 D HA -0.078 4.562 4.640 0.000 0.000 0.216 274 D C 1.908 178.319 176.300 0.185 0.000 0.968 274 D CA 0.929 54.933 54.000 0.006 0.000 0.894 274 D CB -0.089 40.673 40.800 -0.064 0.000 0.909 274 D HN 0.395 nan 8.370 nan 0.000 0.520 275 S N -0.880 114.879 115.700 0.098 0.000 2.540 275 S HA 0.041 4.511 4.470 0.000 0.000 0.218 275 S C 1.697 176.317 174.600 0.032 0.000 0.977 275 S CA -0.114 58.149 58.200 0.105 0.000 0.918 275 S CB 0.326 63.566 63.200 0.067 0.000 0.806 275 S HN 0.242 nan 8.310 nan 0.000 0.496 276 T N 1.775 116.403 114.554 0.123 0.000 2.746 276 T HA -0.166 4.184 4.350 0.000 0.000 0.267 276 T C 1.668 176.426 174.700 0.097 0.000 1.039 276 T CA 1.532 63.685 62.100 0.087 0.000 1.142 276 T CB -0.613 68.311 68.868 0.093 0.000 0.866 276 T HN 0.798 nan 8.240 nan 0.000 0.444 277 Y N 1.465 121.796 120.300 0.052 0.000 2.556 277 Y HA 0.095 4.645 4.550 0.000 0.000 0.290 277 Y C 1.726 177.689 175.900 0.105 0.000 1.149 277 Y CA 0.313 58.452 58.100 0.065 0.000 1.329 277 Y CB -1.035 37.458 38.460 0.056 0.000 0.975 277 Y HN 0.130 nan 8.280 nan 0.000 0.561 278 L N 0.446 121.342 121.223 -0.545 0.000 2.291 278 L HA -0.019 4.321 4.340 0.000 0.000 0.214 278 L C 0.654 177.547 176.870 0.038 0.000 1.120 278 L CA 0.403 55.069 54.840 -0.290 0.000 0.799 278 L CB -0.684 41.205 42.059 -0.284 0.000 0.925 278 L HN 0.171 nan 8.230 nan 0.000 0.446 279 T N 0.492 115.051 114.554 0.008 0.000 2.817 279 T HA 0.335 4.685 4.350 0.000 0.000 0.295 279 T C 1.160 175.913 174.700 0.088 0.000 0.958 279 T CA 0.656 62.790 62.100 0.057 0.000 1.157 279 T CB 1.103 69.993 68.868 0.037 0.000 0.898 279 T HN 0.531 nan 8.240 nan 0.000 0.536 280 G N 3.112 111.983 108.800 0.119 0.000 2.241 280 G HA2 -0.233 3.727 3.960 0.000 0.000 0.244 280 G HA3 -0.233 3.727 3.960 0.000 0.000 0.244 280 G C 0.215 175.168 174.900 0.089 0.000 0.998 280 G CA -0.405 44.753 45.100 0.097 0.000 0.621 280 G HN 0.648 nan 8.290 nan 0.000 0.519 281 K N 1.466 121.934 120.400 0.112 0.000 2.447 281 K HA 0.200 4.521 4.320 0.000 0.000 0.281 281 K C 0.615 177.150 176.600 -0.107 0.000 1.031 281 K CA 0.041 56.317 56.287 -0.018 0.000 1.019 281 K CB 0.372 32.815 32.500 -0.096 0.000 0.918 281 K HN 0.391 nan 8.250 nan 0.000 0.476 282 R N 1.733 122.164 120.500 -0.115 0.000 2.267 282 R HA 0.181 4.522 4.340 0.000 0.000 0.319 282 R C -0.154 176.043 176.300 -0.172 0.000 1.067 282 R CA -0.404 55.641 56.100 -0.092 0.000 0.936 282 R CB 0.886 31.158 30.300 -0.046 0.000 1.006 282 R HN 0.239 nan 8.270 nan 0.000 0.452 283 V N 5.035 124.856 119.914 -0.154 0.000 2.628 283 V HA 0.508 4.628 4.120 0.000 0.000 0.306 283 V C -1.392 174.667 176.094 -0.058 0.000 1.045 283 V CA -0.836 61.348 62.300 -0.192 0.000 0.905 283 V CB 1.638 33.288 31.823 -0.287 0.000 0.997 283 V HN 0.677 nan 8.190 nan 0.000 0.436 284 F N 6.861 126.702 119.950 -0.182 0.000 2.460 284 F HA 0.688 5.215 4.527 0.000 0.000 0.341 284 F C -0.526 175.204 175.800 -0.116 0.000 1.130 284 F CA -0.583 57.342 58.000 -0.125 0.000 0.962 284 F CB 1.220 40.155 39.000 -0.108 0.000 1.171 284 F HN 0.361 nan 8.300 nan 0.000 0.436 285 I N 7.252 127.620 120.570 -0.338 0.000 2.406 285 I HA 0.430 4.600 4.170 0.000 0.000 0.290 285 I C -1.204 174.869 176.117 -0.074 0.000 0.999 285 I CA -0.742 60.457 61.300 -0.167 0.000 1.124 285 I CB 1.774 39.640 38.000 -0.224 0.000 1.289 285 I HN 0.545 nan 8.210 nan 0.000 0.441 286 F N 4.295 124.207 119.950 -0.063 0.000 2.626 286 F HA 0.860 5.387 4.527 0.000 0.000 0.311 286 F C 0.230 176.036 175.800 0.011 0.000 1.088 286 F CA 0.207 58.200 58.000 -0.011 0.000 0.949 286 F CB 2.190 41.273 39.000 0.139 0.000 1.322 286 F HN 0.610 nan 8.300 nan 0.000 0.461 287 G N 2.683 111.082 108.800 -0.669 0.000 2.295 287 G HA2 0.032 3.992 3.960 0.000 0.000 0.155 287 G HA3 0.032 3.992 3.960 0.000 0.000 0.155 287 G C -1.500 173.047 174.900 -0.589 0.000 1.307 287 G CA -0.739 44.196 45.100 -0.275 0.000 1.140 287 G HN 0.672 nan 8.290 nan 0.000 0.470 288 D N 0.499 120.706 120.400 -0.322 0.000 2.406 288 D HA 0.397 5.038 4.640 0.000 0.000 0.234 288 D C 1.745 177.870 176.300 -0.292 0.000 1.196 288 D CA 1.359 55.173 54.000 -0.311 0.000 0.881 288 D CB 0.832 41.728 40.800 0.160 0.000 1.205 288 D HN 0.739 nan 8.370 nan 0.000 0.453 289 G N 0.410 109.058 108.800 -0.253 0.000 2.421 289 G HA2 -0.242 3.718 3.960 0.000 0.000 0.216 289 G HA3 -0.242 3.718 3.960 0.000 0.000 0.216 289 G C 1.513 176.374 174.900 -0.065 0.000 1.171 289 G CA 1.100 46.105 45.100 -0.158 0.000 0.775 289 G HN 0.501 nan 8.290 nan 0.000 0.543 290 T N 0.376 114.919 114.554 -0.018 0.000 2.674 290 T HA -0.087 4.263 4.350 0.000 0.000 0.265 290 T C 2.135 176.799 174.700 -0.060 0.000 1.039 290 T CA 1.718 63.797 62.100 -0.035 0.000 1.150 290 T CB -0.324 68.519 68.868 -0.041 0.000 0.864 290 T HN 0.479 nan 8.240 nan 0.000 0.427 291 H N -0.027 119.072 119.070 0.048 0.000 2.423 291 H HA 0.065 4.621 4.556 0.000 0.000 0.297 291 H C 2.247 177.600 175.328 0.042 0.000 1.075 291 H CA 0.953 57.052 56.048 0.085 0.000 1.342 291 H CB -0.368 29.457 29.762 0.105 0.000 1.395 291 H HN 0.124 nan 8.280 nan 0.000 0.530 292 V N 0.532 120.480 119.914 0.057 0.000 2.307 292 V HA -0.206 3.914 4.120 0.000 0.000 0.245 292 V C 2.260 178.346 176.094 -0.013 0.000 1.045 292 V CA 1.670 63.954 62.300 -0.027 0.000 1.024 292 V CB -0.463 31.276 31.823 -0.141 0.000 0.651 292 V HN 0.369 nan 8.190 nan 0.000 0.449 293 I N 0.628 121.197 120.570 -0.002 0.000 2.208 293 I HA -0.281 3.889 4.170 0.000 0.000 0.245 293 I C 2.637 178.800 176.117 0.077 0.000 1.097 293 I CA 1.691 63.013 61.300 0.035 0.000 1.363 293 I CB -0.573 37.449 38.000 0.037 0.000 1.051 293 I HN 0.293 nan 8.210 nan 0.000 0.413 294 A N 0.576 123.444 122.820 0.079 0.000 1.873 294 A HA -0.091 4.229 4.320 0.000 0.000 0.215 294 A C 2.567 180.266 177.584 0.191 0.000 1.186 294 A CA 1.622 53.725 52.037 0.110 0.000 0.616 294 A CB -0.930 18.115 19.000 0.076 0.000 0.823 294 A HN 0.406 nan 8.150 nan 0.000 0.442 295 A N 0.035 123.000 122.820 0.242 0.000 1.917 295 A HA 0.065 4.385 4.320 0.000 0.000 0.219 295 A C 2.498 180.245 177.584 0.271 0.000 1.182 295 A CA 2.380 54.653 52.037 0.393 0.000 0.633 295 A CB -1.058 18.081 19.000 0.233 0.000 0.819 295 A HN 1.111 nan 8.150 nan 0.000 0.448 296 A N -0.622 122.243 122.820 0.075 0.000 1.933 296 A HA -0.149 4.171 4.320 0.000 0.000 0.218 296 A C 2.243 179.874 177.584 0.078 0.000 1.175 296 A CA 1.702 53.683 52.037 -0.093 0.000 0.628 296 A CB -0.476 18.283 19.000 -0.401 0.000 0.814 296 A HN 0.578 nan 8.150 nan 0.000 0.444 297 R N -0.302 120.329 120.500 0.217 0.000 2.073 297 R HA -0.085 4.255 4.340 0.000 0.000 0.234 297 R C 1.920 178.350 176.300 0.216 0.000 1.134 297 R CA 1.748 58.007 56.100 0.265 0.000 0.952 297 R CB -0.411 30.013 30.300 0.208 0.000 0.850 297 R HN 0.521 nan 8.270 nan 0.000 0.433 298 I N 0.944 121.650 120.570 0.227 0.000 2.163 298 I HA -0.279 3.891 4.170 0.000 0.000 0.243 298 I C 2.629 178.892 176.117 0.243 0.000 1.085 298 I CA 1.471 62.896 61.300 0.208 0.000 1.347 298 I CB -0.422 37.682 38.000 0.173 0.000 1.044 298 I HN 0.296 nan 8.210 nan 0.000 0.408 299 A N 0.562 123.609 122.820 0.378 0.000 1.892 299 A HA -0.229 4.092 4.320 0.000 0.000 0.218 299 A C 2.469 180.156 177.584 0.171 0.000 1.188 299 A CA 2.391 54.629 52.037 0.335 0.000 0.631 299 A CB -0.952 18.258 19.000 0.350 0.000 0.822 299 A HN 0.464 nan 8.150 nan 0.000 0.447 300 A N -1.770 121.165 122.820 0.191 0.000 1.903 300 A HA 0.078 4.398 4.320 0.000 0.000 0.213 300 A C 2.040 179.709 177.584 0.141 0.000 1.185 300 A CA 1.333 53.491 52.037 0.201 0.000 0.628 300 A CB -0.052 19.161 19.000 0.356 0.000 0.830 300 A HN 0.330 nan 8.150 nan 0.000 0.446 301 K N -1.045 119.438 120.400 0.138 0.000 2.360 301 K HA 0.199 4.519 4.320 0.000 0.000 0.196 301 K C 0.904 177.546 176.600 0.070 0.000 1.049 301 K CA 0.513 56.860 56.287 0.101 0.000 1.049 301 K CB 0.776 33.343 32.500 0.111 0.000 0.881 301 K HN 0.556 nan 8.250 nan 0.000 0.542 302 E N -0.260 119.977 120.200 0.062 0.000 2.367 302 E HA 0.048 4.398 4.350 0.000 0.000 0.204 302 E C 1.411 178.017 176.600 0.011 0.000 0.840 302 E CA 0.143 56.570 56.400 0.046 0.000 1.051 302 E CB 0.925 30.662 29.700 0.061 0.000 1.051 302 E HN -0.138 nan 8.360 nan 0.000 0.509 303 V N -0.675 119.196 119.914 -0.071 0.000 3.523 303 V HA 0.229 4.349 4.120 0.000 0.000 0.255 303 V C 1.178 177.062 176.094 -0.351 0.000 1.226 303 V CA 0.866 63.020 62.300 -0.244 0.000 1.092 303 V CB 0.957 32.466 31.823 -0.524 0.000 0.817 303 V HN 0.465 nan 8.190 nan 0.000 0.458 304 G N 0.399 109.069 108.800 -0.216 0.000 2.130 304 G HA2 -0.222 3.738 3.960 0.000 0.000 0.216 304 G HA3 -0.222 3.738 3.960 0.000 0.000 0.216 304 G C -0.179 174.736 174.900 0.025 0.000 0.999 304 G CA -0.326 44.727 45.100 -0.079 0.000 0.686 304 G HN 0.249 nan 8.290 nan 0.000 0.515 305 F N 0.836 120.817 119.950 0.050 0.000 2.382 305 F HA 0.537 5.064 4.527 0.000 0.000 0.331 305 F C 0.936 176.755 175.800 0.031 0.000 1.121 305 F CA -1.589 56.425 58.000 0.023 0.000 1.183 305 F CB 0.929 39.939 39.000 0.017 0.000 1.207 305 F HN 0.234 nan 8.300 nan 0.000 0.555 306 E N 1.452 121.789 120.200 0.227 0.000 2.194 306 E HA 0.382 4.732 4.350 0.000 0.000 0.284 306 E C -1.336 175.311 176.600 0.079 0.000 1.035 306 E CA -0.459 56.020 56.400 0.132 0.000 0.836 306 E CB 0.866 30.617 29.700 0.086 0.000 1.070 306 E HN 0.381 nan 8.360 nan 0.000 0.401 307 V N 5.599 125.544 119.914 0.050 0.000 2.455 307 V HA 0.031 4.151 4.120 0.000 0.000 0.273 307 V C 0.636 176.696 176.094 -0.057 0.000 1.045 307 V CA -0.153 62.106 62.300 -0.068 0.000 0.976 307 V CB 1.220 32.891 31.823 -0.253 0.000 0.993 307 V HN 0.707 nan 8.190 nan 0.000 0.475 308 V N 3.943 123.813 119.914 -0.073 0.000 3.346 308 V HA 0.625 4.745 4.120 0.000 0.000 0.309 308 V C 0.647 176.714 176.094 -0.045 0.000 1.457 308 V CA 0.876 63.164 62.300 -0.020 0.000 1.069 308 V CB 0.476 32.314 31.823 0.024 0.000 0.944 308 V HN 1.020 nan 8.190 nan 0.000 0.449 309 G N 1.065 109.721 108.800 -0.241 0.000 2.405 309 G HA2 0.471 4.431 3.960 0.000 0.000 0.312 309 G HA3 0.471 4.431 3.960 0.000 0.000 0.312 309 G C -1.369 173.081 174.900 -0.750 0.000 1.579 309 G CA -0.634 44.179 45.100 -0.478 0.000 0.933 309 G HN 0.051 nan 8.290 nan 0.000 0.628 310 M N 1.427 120.750 119.600 -0.460 0.000 2.395 310 M HA 0.777 5.257 4.480 0.000 0.000 0.307 310 M C 0.277 176.459 176.300 -0.198 0.000 1.091 310 M CA -0.501 54.586 55.300 -0.356 0.000 0.919 310 M CB 2.644 35.099 32.600 -0.242 0.000 1.662 310 M HN 0.896 nan 8.290 nan 0.000 0.440 311 G N 1.110 109.840 108.800 -0.117 0.000 2.608 311 G HA2 0.795 4.755 3.960 0.000 0.000 0.291 311 G HA3 0.795 4.755 3.960 0.000 0.000 0.291 311 G C -1.793 172.920 174.900 -0.312 0.000 1.425 311 G CA -0.719 44.394 45.100 0.023 0.000 0.787 311 G HN 1.117 nan 8.290 nan 0.000 0.484 312 C N -1.733 117.308 119.300 -0.432 0.000 3.311 312 C HA 0.681 5.141 4.460 0.000 0.000 0.325 312 C C 0.316 174.972 174.990 -0.556 0.000 1.352 312 C CA -0.990 57.453 59.018 -0.959 0.000 1.308 312 C CB 0.394 27.748 27.740 -0.643 0.000 1.619 312 C HN 1.311 nan 8.230 nan 0.000 0.469 313 Y N -0.119 119.851 120.300 -0.550 0.000 2.470 313 Y HA 0.420 4.970 4.550 0.000 0.000 0.284 313 Y C 0.498 176.366 175.900 -0.054 0.000 1.188 313 Y CA 0.002 58.001 58.100 -0.170 0.000 1.269 313 Y CB -0.470 37.818 38.460 -0.287 0.000 1.094 313 Y HN 0.670 nan 8.280 nan 0.000 0.518 314 N N 1.534 120.089 118.700 -0.242 0.000 2.804 314 N HA 0.190 4.930 4.740 0.000 0.000 0.251 314 N C 0.491 175.950 175.510 -0.085 0.000 1.250 314 N CA -0.451 52.471 53.050 -0.214 0.000 0.820 314 N CB 0.487 38.654 38.487 -0.533 0.000 1.156 314 N HN 0.287 nan 8.380 nan 0.000 0.512 315 R N 0.916 121.417 120.500 0.003 0.000 2.152 315 R HA -0.058 4.282 4.340 0.000 0.000 0.232 315 R C 0.661 176.967 176.300 0.009 0.000 1.117 315 R CA 1.443 57.550 56.100 0.011 0.000 0.981 315 R CB 0.334 30.655 30.300 0.034 0.000 0.870 315 R HN 0.461 nan 8.270 nan 0.000 0.451 316 E N -0.653 119.560 120.200 0.022 0.000 2.267 316 E HA -0.158 4.192 4.350 0.000 0.000 0.197 316 E C 0.889 177.503 176.600 0.023 0.000 0.998 316 E CA 0.936 57.358 56.400 0.038 0.000 0.830 316 E CB 0.132 29.875 29.700 0.073 0.000 0.751 316 E HN 0.204 nan 8.360 nan 0.000 0.491 317 M N -0.881 118.712 119.600 -0.011 0.000 2.484 317 M HA 0.327 4.807 4.480 0.000 0.000 0.307 317 M C 1.148 177.430 176.300 -0.030 0.000 1.149 317 M CA -0.036 55.251 55.300 -0.021 0.000 0.972 317 M CB 0.441 33.006 32.600 -0.059 0.000 1.400 317 M HN 0.125 nan 8.290 nan 0.000 0.508 318 A N 0.522 123.332 122.820 -0.017 0.000 1.968 318 A HA -0.056 4.264 4.320 0.000 0.000 0.217 318 A C 2.234 179.818 177.584 -0.000 0.000 1.169 318 A CA 1.041 53.070 52.037 -0.014 0.000 0.638 318 A CB -0.097 18.901 19.000 -0.002 0.000 0.812 318 A HN 0.322 nan 8.150 nan 0.000 0.446 319 R N -0.372 120.135 120.500 0.010 0.000 2.073 319 R HA -0.047 4.293 4.340 0.000 0.000 0.229 319 R C -0.690 175.621 176.300 0.018 0.000 1.120 319 R CA 1.458 57.568 56.100 0.017 0.000 0.967 319 R CB -1.823 28.491 30.300 0.023 0.000 0.862 319 R HN 0.431 nan 8.270 nan 0.000 0.436 320 P HA -0.081 nan 4.420 nan 0.000 0.223 320 P C 1.460 178.771 177.300 0.019 0.000 1.151 320 P CA 0.670 63.784 63.100 0.023 0.000 0.787 320 P CB -0.013 31.703 31.700 0.027 0.000 0.788 321 L N -0.083 121.141 121.223 0.002 0.000 2.072 321 L HA 0.023 4.363 4.340 0.000 0.000 0.205 321 L C 2.516 179.392 176.870 0.010 0.000 1.079 321 L CA 1.666 56.501 54.840 -0.007 0.000 0.752 321 L CB -0.772 41.259 42.059 -0.047 0.000 0.906 321 L HN -0.247 nan 8.230 nan 0.000 0.436 322 R N -1.431 119.076 120.500 0.011 0.000 2.096 322 R HA -0.117 4.223 4.340 0.000 0.000 0.235 322 R C 2.075 178.392 176.300 0.030 0.000 1.127 322 R CA 1.670 57.781 56.100 0.020 0.000 0.968 322 R CB -0.727 29.584 30.300 0.017 0.000 0.861 322 R HN 0.373 nan 8.270 nan 0.000 0.440 323 T N 0.976 115.547 114.554 0.028 0.000 2.674 323 T HA -0.160 4.190 4.350 0.000 0.000 0.265 323 T C 1.925 176.651 174.700 0.044 0.000 1.039 323 T CA 1.615 63.733 62.100 0.029 0.000 1.150 323 T CB -0.217 68.666 68.868 0.024 0.000 0.864 323 T HN 0.397 nan 8.240 nan 0.000 0.427 324 A N 1.327 124.186 122.820 0.066 0.000 1.877 324 A HA 0.157 4.477 4.320 0.000 0.000 0.216 324 A C 2.625 180.342 177.584 0.221 0.000 1.186 324 A CA 1.896 54.011 52.037 0.129 0.000 0.620 324 A CB -1.142 17.945 19.000 0.143 0.000 0.822 324 A HN 0.510 nan 8.150 nan 0.000 0.443 325 A N -0.187 122.733 122.820 0.166 0.000 1.972 325 A HA 0.162 4.482 4.320 0.000 0.000 0.219 325 A C 2.453 180.138 177.584 0.168 0.000 1.169 325 A CA 1.973 54.122 52.037 0.186 0.000 0.635 325 A CB -0.938 18.099 19.000 0.061 0.000 0.810 325 A HN 1.075 nan 8.150 nan 0.000 0.446 326 A N -0.078 122.796 122.820 0.089 0.000 1.908 326 A HA -0.229 4.091 4.320 0.000 0.000 0.218 326 A C 1.875 179.469 177.584 0.018 0.000 1.181 326 A CA 1.844 53.909 52.037 0.046 0.000 0.627 326 A CB -0.585 18.428 19.000 0.022 0.000 0.818 326 A HN 0.623 nan 8.150 nan 0.000 0.445 327 E N -1.543 118.635 120.200 -0.037 0.000 2.160 327 E HA -0.208 4.142 4.350 0.000 0.000 0.195 327 E C 1.051 177.488 176.600 -0.272 0.000 0.991 327 E CA 1.535 57.812 56.400 -0.205 0.000 0.810 327 E CB -0.242 29.237 29.700 -0.368 0.000 0.742 327 E HN 0.870 nan 8.360 nan 0.000 0.466 328 Y N -0.929 119.375 120.300 0.006 0.000 2.461 328 Y HA 0.264 4.814 4.550 0.000 0.000 0.277 328 Y C 1.290 177.193 175.900 0.005 0.000 1.182 328 Y CA 0.210 58.314 58.100 0.008 0.000 1.276 328 Y CB 0.784 39.246 38.460 0.004 0.000 1.087 328 Y HN 0.020 nan 8.280 nan 0.000 0.519 329 G N 0.857 109.722 108.800 0.109 0.000 2.225 329 G HA2 -0.242 3.719 3.960 0.000 0.000 0.264 329 G HA3 -0.242 3.719 3.960 0.000 0.000 0.264 329 G C -0.802 174.141 174.900 0.072 0.000 1.060 329 G CA -0.227 44.915 45.100 0.070 0.000 0.833 329 G HN 0.135 nan 8.290 nan 0.000 0.498 330 L N -0.596 120.677 121.223 0.083 0.000 2.381 330 L HA 0.737 5.077 4.340 0.000 0.000 0.268 330 L C 0.038 176.931 176.870 0.039 0.000 0.997 330 L CA -1.699 53.172 54.840 0.053 0.000 0.818 330 L CB 1.979 44.060 42.059 0.037 0.000 1.310 330 L HN 0.233 nan 8.230 nan 0.000 0.416 331 E N 1.735 121.950 120.200 0.024 0.000 2.223 331 E HA 0.564 4.914 4.350 0.000 0.000 0.282 331 E C -0.455 176.151 176.600 0.010 0.000 1.046 331 E CA -0.181 56.231 56.400 0.021 0.000 0.857 331 E CB 1.105 30.820 29.700 0.024 0.000 1.055 331 E HN 0.631 nan 8.360 nan 0.000 0.409 332 A N 4.076 126.903 122.820 0.011 0.000 2.407 332 A HA 0.311 4.631 4.320 0.000 0.000 0.248 332 A C -0.663 176.934 177.584 0.021 0.000 1.082 332 A CA -0.453 51.583 52.037 -0.001 0.000 0.785 332 A CB 0.271 19.269 19.000 -0.002 0.000 1.020 332 A HN 0.594 nan 8.150 nan 0.000 0.489 333 L N 4.220 125.465 121.223 0.037 0.000 2.272 333 L HA 0.407 4.747 4.340 0.000 0.000 0.284 333 L C -0.879 176.067 176.870 0.126 0.000 1.045 333 L CA -0.311 54.589 54.840 0.099 0.000 0.842 333 L CB 0.479 42.634 42.059 0.161 0.000 1.224 333 L HN 0.489 nan 8.230 nan 0.000 0.430 334 I N 4.644 125.269 120.570 0.092 0.000 2.287 334 I HA 0.441 4.611 4.170 0.000 0.000 0.290 334 I C 0.334 176.527 176.117 0.126 0.000 1.069 334 I CA 0.009 61.360 61.300 0.085 0.000 1.237 334 I CB 0.265 38.291 38.000 0.044 0.000 1.418 334 I HN 0.614 nan 8.210 nan 0.000 0.481 335 T N 4.007 118.679 114.554 0.197 0.000 2.886 335 T HA 0.288 4.638 4.350 0.000 0.000 0.330 335 T C -0.502 174.382 174.700 0.307 0.000 1.488 335 T CA -0.554 61.673 62.100 0.212 0.000 1.054 335 T CB 1.491 70.464 68.868 0.175 0.000 1.348 335 T HN 0.645 nan 8.240 nan 0.000 0.489 336 D N 1.374 121.951 120.400 0.295 0.000 2.501 336 D HA 0.235 4.875 4.640 0.000 0.000 0.226 336 D C -0.230 176.377 176.300 0.511 0.000 1.198 336 D CA -0.231 54.020 54.000 0.419 0.000 0.830 336 D CB 0.335 41.346 40.800 0.351 0.000 1.014 336 D HN 0.346 nan 8.370 nan 0.000 0.496 337 D N 0.509 121.137 120.400 0.380 0.000 2.441 337 D HA 0.072 4.713 4.640 0.000 0.000 0.231 337 D C 1.217 177.689 176.300 0.287 0.000 1.073 337 D CA -0.947 53.245 54.000 0.319 0.000 0.850 337 D CB 0.386 41.270 40.800 0.140 0.000 1.062 337 D HN 0.180 nan 8.370 nan 0.000 0.524 338 Y N 2.761 123.230 120.300 0.281 0.000 2.241 338 Y HA -0.178 4.372 4.550 0.000 0.000 0.286 338 Y C 1.321 177.204 175.900 -0.028 0.000 1.166 338 Y CA 0.939 59.111 58.100 0.119 0.000 1.203 338 Y CB -0.522 37.906 38.460 -0.053 0.000 0.977 338 Y HN 0.329 nan 8.280 nan 0.000 0.529 339 L N 0.287 121.115 121.223 -0.659 0.000 2.141 339 L HA -0.131 4.209 4.340 0.000 0.000 0.209 339 L C 2.673 179.389 176.870 -0.257 0.000 1.094 339 L CA 1.142 55.660 54.840 -0.537 0.000 0.763 339 L CB -0.555 41.175 42.059 -0.548 0.000 0.908 339 L HN 0.249 nan 8.230 nan 0.000 0.437 340 E N 0.197 120.302 120.200 -0.158 0.000 2.031 340 E HA -0.174 4.176 4.350 0.000 0.000 0.193 340 E C 2.370 178.899 176.600 -0.117 0.000 0.994 340 E CA 1.309 57.656 56.400 -0.089 0.000 0.800 340 E CB -0.341 29.350 29.700 -0.015 0.000 0.752 340 E HN 0.286 nan 8.360 nan 0.000 0.447 341 V N 1.537 121.347 119.914 -0.173 0.000 2.233 341 V HA -0.289 3.831 4.120 0.000 0.000 0.247 341 V C 2.552 178.472 176.094 -0.290 0.000 1.050 341 V CA 2.321 64.451 62.300 -0.283 0.000 1.010 341 V CB -0.666 30.861 31.823 -0.493 0.000 0.637 341 V HN 0.353 nan 8.190 nan 0.000 0.444 342 E N -0.033 120.014 120.200 -0.255 0.000 2.171 342 E HA -0.310 4.040 4.350 0.000 0.000 0.197 342 E C 2.241 178.703 176.600 -0.231 0.000 0.997 342 E CA 1.802 58.053 56.400 -0.248 0.000 0.810 342 E CB -0.084 29.493 29.700 -0.205 0.000 0.738 342 E HN 0.576 nan 8.360 nan 0.000 0.467 343 K N -0.311 119.976 120.400 -0.190 0.000 2.007 343 K HA -0.058 4.262 4.320 0.000 0.000 0.206 343 K C 2.160 178.678 176.600 -0.137 0.000 1.047 343 K CA 0.955 57.156 56.287 -0.144 0.000 0.937 343 K CB -0.151 32.285 32.500 -0.106 0.000 0.718 343 K HN 0.170 nan 8.250 nan 0.000 0.438 344 A N 1.458 124.207 122.820 -0.118 0.000 1.883 344 A HA -0.197 4.123 4.320 0.000 0.000 0.217 344 A C 2.091 179.551 177.584 -0.206 0.000 1.186 344 A CA 1.511 53.523 52.037 -0.043 0.000 0.624 344 A CB -0.731 18.352 19.000 0.138 0.000 0.822 344 A HN 0.256 nan 8.150 nan 0.000 0.444 345 I N -0.798 119.416 120.570 -0.593 0.000 2.118 345 I HA -0.317 3.853 4.170 0.000 0.000 0.241 345 I C 2.573 178.465 176.117 -0.376 0.000 1.070 345 I CA 1.989 62.799 61.300 -0.817 0.000 1.327 345 I CB -0.448 37.047 38.000 -0.841 0.000 1.034 345 I HN 0.430 nan 8.210 nan 0.000 0.405 346 E N 0.539 120.581 120.200 -0.264 0.000 2.097 346 E HA -0.268 4.082 4.350 0.000 0.000 0.196 346 E C 2.204 178.733 176.600 -0.118 0.000 1.000 346 E CA 1.637 57.935 56.400 -0.169 0.000 0.804 346 E CB -0.153 29.464 29.700 -0.138 0.000 0.740 346 E HN 0.544 nan 8.360 nan 0.000 0.454 347 A N 1.259 124.022 122.820 -0.095 0.000 1.832 347 A HA 0.098 4.418 4.320 0.000 0.000 0.214 347 A C 1.424 178.994 177.584 -0.023 0.000 1.200 347 A CA 1.016 53.026 52.037 -0.045 0.000 0.610 347 A CB -0.768 18.220 19.000 -0.019 0.000 0.842 347 A HN 0.298 nan 8.150 nan 0.000 0.444 348 A N -0.218 122.607 122.820 0.009 0.000 2.524 348 A HA 0.494 4.814 4.320 0.000 0.000 0.250 348 A C 0.420 177.990 177.584 -0.022 0.000 1.078 348 A CA 0.346 52.407 52.037 0.039 0.000 0.761 348 A CB -0.374 18.726 19.000 0.167 0.000 1.012 348 A HN 1.429 nan 8.150 nan 0.000 0.500 349 A N 5.557 128.361 122.820 -0.027 0.000 2.582 349 A HA 0.630 4.950 4.320 0.000 0.000 0.336 349 A C -2.495 175.054 177.584 -0.059 0.000 1.445 349 A CA -1.459 50.542 52.037 -0.060 0.000 0.997 349 A CB -0.302 18.665 19.000 -0.055 0.000 1.148 349 A HN 0.620 nan 8.150 nan 0.000 0.514 350 P HA 0.336 nan 4.420 nan 0.000 0.279 350 P C 0.191 177.428 177.300 -0.104 0.000 1.252 350 P CA -0.295 62.764 63.100 -0.068 0.000 0.811 350 P CB 1.009 32.679 31.700 -0.050 0.000 1.035 351 E N 0.017 120.142 120.200 -0.124 0.000 2.415 351 E HA 0.168 4.518 4.350 0.000 0.000 0.197 351 E C 0.019 176.518 176.600 -0.169 0.000 1.007 351 E CA 0.213 56.531 56.400 -0.137 0.000 0.890 351 E CB 0.208 29.831 29.700 -0.129 0.000 0.891 351 E HN 0.158 nan 8.360 nan 0.000 0.496 352 L N 0.772 121.868 121.223 -0.212 0.000 2.526 352 L HA 0.399 4.739 4.340 0.000 0.000 0.263 352 L C -1.773 174.979 176.870 -0.196 0.000 0.943 352 L CA -1.129 53.571 54.840 -0.233 0.000 0.859 352 L CB 1.879 43.717 42.059 -0.369 0.000 1.313 352 L HN -0.043 nan 8.230 nan 0.000 0.406 353 I N 4.142 124.622 120.570 -0.150 0.000 2.433 353 I HA 0.648 4.819 4.170 0.000 0.000 0.292 353 I C -1.770 174.272 176.117 -0.124 0.000 1.001 353 I CA -0.403 60.845 61.300 -0.087 0.000 1.119 353 I CB 1.680 39.633 38.000 -0.079 0.000 1.289 353 I HN 0.546 nan 8.210 nan 0.000 0.438 354 L N 7.981 129.124 121.223 -0.134 0.000 2.294 354 L HA 0.901 5.241 4.340 0.000 0.000 0.283 354 L C 0.474 177.316 176.870 -0.047 0.000 1.015 354 L CA -0.108 54.603 54.840 -0.214 0.000 0.831 354 L CB 0.794 42.554 42.059 -0.498 0.000 1.217 354 L HN 0.991 nan 8.230 nan 0.000 0.420 355 G N 1.779 110.578 108.800 -0.001 0.000 3.159 355 G HA2 0.349 4.309 3.960 0.000 0.000 0.150 355 G HA3 0.349 4.309 3.960 0.000 0.000 0.150 355 G C -0.742 174.193 174.900 0.059 0.000 1.193 355 G CA -0.050 45.107 45.100 0.095 0.000 1.177 355 G HN 0.316 nan 8.290 nan 0.000 0.635 356 T N 0.184 114.824 114.554 0.144 0.000 2.923 356 T HA 0.370 4.720 4.350 0.000 0.000 0.281 356 T C 1.215 175.921 174.700 0.010 0.000 0.995 356 T CA -0.260 61.914 62.100 0.123 0.000 0.985 356 T CB 1.678 70.771 68.868 0.375 0.000 1.114 356 T HN 0.338 nan 8.240 nan 0.000 0.548 357 Q N 0.488 120.279 119.800 -0.014 0.000 2.173 357 Q HA -0.166 4.174 4.340 0.000 0.000 0.208 357 Q C 2.062 177.857 176.000 -0.342 0.000 0.989 357 Q CA 1.931 57.657 55.803 -0.128 0.000 0.872 357 Q CB -0.533 28.175 28.738 -0.050 0.000 0.909 357 Q HN 0.628 nan 8.270 nan 0.000 0.420 358 M N -0.071 119.195 119.600 -0.556 0.000 2.099 358 M HA -0.118 4.362 4.480 0.000 0.000 0.262 358 M C 1.420 177.499 176.300 -0.367 0.000 1.067 358 M CA 1.790 56.624 55.300 -0.777 0.000 1.124 358 M CB -0.176 31.715 32.600 -1.182 0.000 1.353 358 M HN 0.078 nan 8.290 nan 0.000 0.410 359 E N -0.371 119.726 120.200 -0.172 0.000 2.153 359 E HA -0.120 4.230 4.350 0.000 0.000 0.194 359 E C 2.120 178.642 176.600 -0.131 0.000 0.988 359 E CA 0.802 57.134 56.400 -0.114 0.000 0.811 359 E CB -0.318 29.385 29.700 0.006 0.000 0.746 359 E HN 0.334 nan 8.360 nan 0.000 0.466 360 R N 0.620 121.044 120.500 -0.127 0.000 2.091 360 R HA -0.091 4.249 4.340 0.000 0.000 0.238 360 R C 1.679 177.893 176.300 -0.144 0.000 1.136 360 R CA 1.161 57.191 56.100 -0.117 0.000 0.959 360 R CB -0.333 29.905 30.300 -0.103 0.000 0.856 360 R HN 0.308 nan 8.270 nan 0.000 0.437 361 N N 0.332 118.912 118.700 -0.199 0.000 2.173 361 N HA -0.076 4.664 4.740 0.000 0.000 0.184 361 N C 2.079 177.490 175.510 -0.166 0.000 1.025 361 N CA 0.983 53.917 53.050 -0.193 0.000 0.852 361 N CB -0.171 38.166 38.487 -0.251 0.000 0.998 361 N HN 0.152 nan 8.380 nan 0.000 0.427 362 I N 1.942 122.403 120.570 -0.182 0.000 2.145 362 I HA -0.327 3.843 4.170 0.000 0.000 0.244 362 I C 2.535 178.562 176.117 -0.151 0.000 1.075 362 I CA 1.434 62.636 61.300 -0.162 0.000 1.332 362 I CB -0.439 37.449 38.000 -0.186 0.000 1.033 362 I HN 0.072 nan 8.210 nan 0.000 0.410 363 A N 0.669 123.400 122.820 -0.149 0.000 1.851 363 A HA -0.267 4.053 4.320 0.000 0.000 0.216 363 A C 2.361 179.880 177.584 -0.108 0.000 1.195 363 A CA 2.004 53.962 52.037 -0.130 0.000 0.622 363 A CB -0.624 18.307 19.000 -0.115 0.000 0.831 363 A HN 0.337 nan 8.150 nan 0.000 0.444 364 K N -0.318 120.023 120.400 -0.098 0.000 2.020 364 K HA -0.202 4.118 4.320 0.000 0.000 0.212 364 K C 2.177 178.730 176.600 -0.079 0.000 1.050 364 K CA 1.839 58.078 56.287 -0.080 0.000 0.929 364 K CB -0.275 32.179 32.500 -0.076 0.000 0.714 364 K HN 0.432 nan 8.250 nan 0.000 0.443 365 K N 0.780 121.127 120.400 -0.088 0.000 2.044 365 K HA -0.148 4.173 4.320 0.000 0.000 0.210 365 K C 2.049 178.601 176.600 -0.081 0.000 1.049 365 K CA 1.338 57.577 56.287 -0.080 0.000 0.927 365 K CB -0.245 32.204 32.500 -0.085 0.000 0.713 365 K HN 0.145 nan 8.250 nan 0.000 0.443 366 L N 0.137 121.302 121.223 -0.096 0.000 2.551 366 L HA 0.016 4.356 4.340 0.000 0.000 0.228 366 L C 0.909 177.727 176.870 -0.086 0.000 1.153 366 L CA 0.347 55.129 54.840 -0.097 0.000 0.851 366 L CB -0.501 41.485 42.059 -0.121 0.000 0.959 366 L HN 0.393 nan 8.230 nan 0.000 0.451 367 G N 1.156 109.910 108.800 -0.077 0.000 2.350 367 G HA2 -0.259 3.701 3.960 0.000 0.000 0.298 367 G HA3 -0.259 3.701 3.960 0.000 0.000 0.298 367 G C -0.516 174.338 174.900 -0.077 0.000 1.037 367 G CA -0.051 45.008 45.100 -0.067 0.000 1.074 367 G HN 0.106 nan 8.290 nan 0.000 0.511 368 L N 0.124 121.295 121.223 -0.086 0.000 2.362 368 L HA 0.679 5.019 4.340 0.000 0.000 0.271 368 L C -1.845 174.975 176.870 -0.084 0.000 1.002 368 L CA -2.251 52.532 54.840 -0.095 0.000 0.818 368 L CB 1.888 43.877 42.059 -0.116 0.000 1.298 368 L HN -0.056 nan 8.230 nan 0.000 0.420 369 P HA 0.260 nan 4.420 nan 0.000 0.270 369 P C -1.043 176.212 177.300 -0.076 0.000 1.223 369 P CA -0.350 62.711 63.100 -0.064 0.000 0.785 369 P CB 0.666 32.328 31.700 -0.062 0.000 0.923 370 C N 1.350 120.620 119.300 -0.050 0.000 3.292 370 C HA 0.757 5.217 4.460 0.000 0.000 0.368 370 C C -1.683 173.302 174.990 -0.009 0.000 1.141 370 C CA 0.055 59.041 59.018 -0.054 0.000 1.194 370 C CB 0.436 28.142 27.740 -0.057 0.000 1.533 370 C HN 0.757 nan 8.230 nan 0.000 0.532 371 A N 3.573 126.377 122.820 -0.027 0.000 2.549 371 A HA 0.779 5.099 4.320 0.000 0.000 0.297 371 A C -1.409 176.194 177.584 0.030 0.000 1.061 371 A CA -0.380 51.684 52.037 0.045 0.000 0.690 371 A CB 1.411 20.471 19.000 0.100 0.000 1.287 371 A HN 1.242 nan 8.150 nan 0.000 0.402 372 V N 2.708 122.691 119.914 0.115 0.000 2.432 372 V HA 0.324 4.444 4.120 0.000 0.000 0.275 372 V C 0.809 176.988 176.094 0.142 0.000 1.043 372 V CA 0.562 62.912 62.300 0.083 0.000 0.925 372 V CB 0.801 32.689 31.823 0.108 0.000 0.985 372 V HN 0.871 nan 8.190 nan 0.000 0.466 373 I N 1.609 122.167 120.570 -0.020 0.000 4.240 373 I HA 0.544 4.714 4.170 0.000 0.000 0.331 373 I C 0.413 176.320 176.117 -0.350 0.000 1.381 373 I CA 0.203 61.549 61.300 0.078 0.000 1.136 373 I CB 0.863 38.963 38.000 0.167 0.000 1.137 373 I HN 0.475 nan 8.210 nan 0.000 0.411 374 S N 0.953 116.177 115.700 -0.792 0.000 2.537 374 S HA 0.786 5.256 4.470 0.000 0.000 0.271 374 S C -0.391 173.757 174.600 -0.753 0.000 1.148 374 S CA -0.194 57.497 58.200 -0.848 0.000 0.868 374 S CB 1.460 64.491 63.200 -0.281 0.000 1.115 374 S HN 0.482 nan 8.310 nan 0.000 0.461 375 A N 4.087 126.587 122.820 -0.534 0.000 2.507 375 A HA 0.561 4.881 4.320 0.000 0.000 0.235 375 A C -2.405 175.209 177.584 0.049 0.000 1.070 375 A CA -0.505 51.438 52.037 -0.156 0.000 0.768 375 A CB -0.539 18.448 19.000 -0.022 0.000 1.011 375 A HN 0.591 nan 8.150 nan 0.000 0.502 376 P HA 0.544 nan 4.420 nan 0.000 0.282 376 P C -0.821 176.521 177.300 0.070 0.000 1.259 376 P CA -0.345 62.766 63.100 0.019 0.000 0.826 376 P CB 1.624 33.299 31.700 -0.042 0.000 1.064 377 V N 1.127 121.100 119.914 0.098 0.000 3.114 377 V HA 0.370 4.490 4.120 0.000 0.000 0.308 377 V C 0.145 176.364 176.094 0.210 0.000 1.168 377 V CA -0.781 61.627 62.300 0.180 0.000 1.015 377 V CB 1.887 33.849 31.823 0.232 0.000 1.050 377 V HN 0.917 nan 8.190 nan 0.000 0.433 378 H N 2.013 121.128 119.070 0.074 0.000 2.136 378 H HA 0.407 4.963 4.556 0.000 0.000 0.311 378 H C 1.196 176.564 175.328 0.067 0.000 1.737 378 H CA 0.418 56.493 56.048 0.046 0.000 1.439 378 H CB 0.690 30.476 29.762 0.040 0.000 1.733 378 H HN 0.386 nan 8.280 nan 0.000 0.637 379 V N 0.508 120.215 119.914 -0.345 0.000 2.332 379 V HA -0.298 3.822 4.120 0.000 0.000 0.248 379 V C 2.625 178.605 176.094 -0.190 0.000 1.055 379 V CA 2.542 64.696 62.300 -0.244 0.000 1.038 379 V CB -1.128 30.572 31.823 -0.205 0.000 0.651 379 V HN 0.960 nan 8.190 nan 0.000 0.450 380 Q N -0.782 118.751 119.800 -0.445 0.000 2.061 380 Q HA -0.252 4.088 4.340 0.000 0.000 0.204 380 Q C 1.375 177.404 176.000 0.049 0.000 0.984 380 Q CA 2.354 58.082 55.803 -0.126 0.000 0.846 380 Q CB -0.605 28.115 28.738 -0.030 0.000 0.902 380 Q HN 0.605 nan 8.270 nan 0.000 0.421 381 D N -0.228 120.259 120.400 0.145 0.000 2.344 381 D HA 0.038 4.678 4.640 0.000 0.000 0.242 381 D C -0.950 175.468 176.300 0.196 0.000 1.159 381 D CA 0.192 54.325 54.000 0.221 0.000 0.859 381 D CB -0.047 40.996 40.800 0.405 0.000 0.925 381 D HN 0.185 nan 8.370 nan 0.000 0.510 382 F N 2.766 122.714 119.950 -0.002 0.000 2.366 382 F HA 0.283 4.810 4.527 0.000 0.000 0.357 382 F C -2.376 173.398 175.800 -0.043 0.000 1.107 382 F CA -2.171 55.806 58.000 -0.038 0.000 1.208 382 F CB 1.248 40.224 39.000 -0.039 0.000 1.464 382 F HN -0.196 nan 8.300 nan 0.000 0.501 383 P HA 0.336 nan 4.420 nan 0.000 0.287 383 P C -0.008 177.185 177.300 -0.180 0.000 1.270 383 P CA -0.387 62.620 63.100 -0.156 0.000 0.844 383 P CB 1.821 33.436 31.700 -0.142 0.000 1.068 384 A N 2.630 125.411 122.820 -0.065 0.000 1.969 384 A HA -0.091 4.229 4.320 0.000 0.000 0.218 384 A C 1.254 178.815 177.584 -0.038 0.000 1.169 384 A CA 0.984 52.999 52.037 -0.036 0.000 0.635 384 A CB -0.658 18.343 19.000 0.002 0.000 0.810 384 A HN 0.716 nan 8.150 nan 0.000 0.445 385 R N -2.274 118.202 120.500 -0.039 0.000 2.543 385 R HA 0.413 4.753 4.340 0.000 0.000 0.268 385 R C -0.403 175.903 176.300 0.010 0.000 1.067 385 R CA -0.644 55.455 56.100 -0.001 0.000 1.142 385 R CB 0.162 30.464 30.300 0.004 0.000 1.110 385 R HN 0.233 nan 8.270 nan 0.000 0.549 386 Y N 0.750 121.000 120.300 -0.082 0.000 2.650 386 Y HA 0.220 4.770 4.550 0.000 0.000 0.331 386 Y C -0.317 175.526 175.900 -0.094 0.000 1.165 386 Y CA 0.621 58.668 58.100 -0.088 0.000 1.473 386 Y CB 0.582 39.003 38.460 -0.064 0.000 1.224 386 Y HN 0.796 nan 8.280 nan 0.000 0.533 387 A N 8.547 131.076 122.820 -0.486 0.000 3.474 387 A HA 0.315 4.635 4.320 0.000 0.000 0.251 387 A C -2.899 174.411 177.584 -0.457 0.000 1.062 387 A CA -1.071 50.733 52.037 -0.388 0.000 0.945 387 A CB -0.117 18.732 19.000 -0.253 0.000 1.296 387 A HN 0.524 nan 8.150 nan 0.000 0.592 388 P HA 0.250 nan 4.420 nan 0.000 0.277 388 P C -0.145 177.017 177.300 -0.230 0.000 1.271 388 P CA 0.129 62.983 63.100 -0.409 0.000 0.795 388 P CB 1.072 32.499 31.700 -0.454 0.000 1.101 389 Q N -1.269 118.457 119.800 -0.124 0.000 2.254 389 Q HA 0.234 4.574 4.340 0.000 0.000 0.259 389 Q C 0.770 176.741 176.000 -0.049 0.000 0.815 389 Q CA 0.179 55.963 55.803 -0.032 0.000 0.961 389 Q CB 0.451 29.259 28.738 0.117 0.000 1.140 389 Q HN 0.473 nan 8.270 nan 0.000 0.502 390 M N 0.526 120.071 119.600 -0.091 0.000 2.228 390 M HA 0.303 4.783 4.480 0.000 0.000 0.326 390 M C 0.956 177.144 176.300 -0.187 0.000 1.122 390 M CA 0.827 56.031 55.300 -0.160 0.000 1.161 390 M CB 0.616 33.084 32.600 -0.220 0.000 1.437 390 M HN 0.351 nan 8.290 nan 0.000 0.465 391 G N 1.022 109.666 108.800 -0.260 0.000 2.601 391 G HA2 -0.279 3.681 3.960 0.000 0.000 0.252 391 G HA3 -0.279 3.681 3.960 0.000 0.000 0.252 391 G C -0.105 174.652 174.900 -0.239 0.000 1.294 391 G CA 0.079 44.945 45.100 -0.391 0.000 0.912 391 G HN 0.629 nan 8.290 nan 0.000 0.574 392 F N 0.296 120.233 119.950 -0.021 0.000 2.149 392 F HA 0.185 4.712 4.527 0.000 0.000 0.294 392 F C 2.624 178.397 175.800 -0.046 0.000 1.095 392 F CA 1.659 59.641 58.000 -0.029 0.000 1.276 392 F CB -0.924 38.067 39.000 -0.015 0.000 1.023 392 F HN 0.555 nan 8.300 nan 0.000 0.480 393 E N 0.617 120.900 120.200 0.139 0.000 2.118 393 E HA -0.107 4.243 4.350 0.000 0.000 0.195 393 E C 2.524 179.110 176.600 -0.022 0.000 0.992 393 E CA 1.443 57.881 56.400 0.063 0.000 0.804 393 E CB -0.916 28.866 29.700 0.137 0.000 0.741 393 E HN 0.281 nan 8.360 nan 0.000 0.458 394 G N 0.433 109.199 108.800 -0.056 0.000 2.513 394 G HA2 -0.325 3.635 3.960 0.000 0.000 0.219 394 G HA3 -0.325 3.635 3.960 0.000 0.000 0.219 394 G C 1.730 176.585 174.900 -0.075 0.000 1.160 394 G CA 1.551 46.596 45.100 -0.090 0.000 0.767 394 G HN 0.478 nan 8.290 nan 0.000 0.571 395 A N 1.179 123.982 122.820 -0.029 0.000 1.933 395 A HA -0.111 4.209 4.320 0.000 0.000 0.218 395 A C 2.295 179.839 177.584 -0.067 0.000 1.175 395 A CA 1.931 53.946 52.037 -0.037 0.000 0.628 395 A CB -0.389 18.640 19.000 0.050 0.000 0.814 395 A HN 0.411 nan 8.150 nan 0.000 0.444 396 N N 0.229 118.884 118.700 -0.075 0.000 2.171 396 N HA -0.101 4.639 4.740 0.000 0.000 0.184 396 N C 1.764 177.225 175.510 -0.082 0.000 1.021 396 N CA 1.547 54.521 53.050 -0.127 0.000 0.854 396 N CB -0.685 37.691 38.487 -0.186 0.000 0.994 396 N HN 0.260 nan 8.380 nan 0.000 0.426 397 V N 2.186 122.050 119.914 -0.084 0.000 2.282 397 V HA -0.200 3.920 4.120 0.000 0.000 0.249 397 V C 2.472 178.512 176.094 -0.090 0.000 1.057 397 V CA 1.351 63.606 62.300 -0.075 0.000 1.032 397 V CB -0.585 31.178 31.823 -0.100 0.000 0.645 397 V HN 0.208 nan 8.190 nan 0.000 0.447 398 L N -1.702 119.413 121.223 -0.180 0.000 2.093 398 L HA -0.164 4.176 4.340 0.000 0.000 0.208 398 L C 2.278 178.820 176.870 -0.547 0.000 1.085 398 L CA 1.627 56.191 54.840 -0.459 0.000 0.755 398 L CB -0.477 41.236 42.059 -0.577 0.000 0.904 398 L HN 0.329 nan 8.230 nan 0.000 0.435 399 F N 0.998 120.737 119.950 -0.352 0.000 2.084 399 F HA -0.233 4.294 4.527 0.000 0.000 0.296 399 F C 2.197 177.992 175.800 -0.008 0.000 1.111 399 F CA 1.730 59.620 58.000 -0.182 0.000 1.224 399 F CB -0.117 38.817 39.000 -0.110 0.000 0.991 399 F HN 0.074 nan 8.300 nan 0.000 0.471 400 D N -0.383 120.125 120.400 0.179 0.000 2.116 400 D HA -0.183 4.457 4.640 0.000 0.000 0.193 400 D C 2.280 178.672 176.300 0.154 0.000 0.998 400 D CA 2.215 56.320 54.000 0.174 0.000 0.836 400 D CB -0.701 40.158 40.800 0.099 0.000 0.951 400 D HN 0.277 nan 8.370 nan 0.000 0.449 401 T N -0.319 114.312 114.554 0.129 0.000 2.812 401 T HA -0.131 4.219 4.350 0.000 0.000 0.264 401 T C 1.599 176.542 174.700 0.405 0.000 1.042 401 T CA 0.857 63.105 62.100 0.247 0.000 1.140 401 T CB -0.263 68.768 68.868 0.272 0.000 0.870 401 T HN 0.217 nan 8.240 nan 0.000 0.445 402 W N 0.972 122.313 121.300 0.068 0.000 2.418 402 W HA 0.151 4.812 4.660 0.000 0.000 0.292 402 W C 2.302 178.847 176.519 0.044 0.000 1.213 402 W CA -0.568 56.816 57.345 0.065 0.000 1.283 402 W CB -1.422 28.092 29.460 0.090 0.000 1.119 402 W HN 0.069 nan 8.180 nan 0.000 0.542 403 V N -0.534 119.491 119.914 0.185 0.000 2.591 403 V HA -0.236 3.884 4.120 0.000 0.000 0.249 403 V C 2.110 178.320 176.094 0.194 0.000 1.053 403 V CA 2.090 64.453 62.300 0.104 0.000 1.068 403 V CB -0.996 30.730 31.823 -0.161 0.000 0.689 403 V HN 0.134 nan 8.190 nan 0.000 0.462 404 H N 1.585 120.738 119.070 0.138 0.000 2.321 404 H HA -0.081 4.475 4.556 0.000 0.000 0.300 404 H C -0.148 175.252 175.328 0.119 0.000 1.087 404 H CA 2.270 58.401 56.048 0.138 0.000 1.319 404 H CB -1.000 28.843 29.762 0.134 0.000 1.379 404 H HN 0.344 nan 8.280 nan 0.000 0.501 405 P HA -0.155 nan 4.420 nan 0.000 0.218 405 P C 1.699 178.988 177.300 -0.017 0.000 1.149 405 P CA 1.167 64.271 63.100 0.007 0.000 0.817 405 P CB 0.044 31.781 31.700 0.062 0.000 0.785 406 L N 0.009 121.254 121.223 0.038 0.000 2.017 406 L HA -0.134 4.206 4.340 0.000 0.000 0.208 406 L C 2.785 179.702 176.870 0.079 0.000 1.073 406 L CA 1.807 56.688 54.840 0.068 0.000 0.745 406 L CB -0.961 41.177 42.059 0.131 0.000 0.894 406 L HN -0.067 nan 8.230 nan 0.000 0.432 407 V N -2.992 116.959 119.914 0.063 0.000 2.427 407 V HA -0.248 3.872 4.120 0.000 0.000 0.248 407 V C 2.462 178.517 176.094 -0.064 0.000 1.051 407 V CA 1.195 63.507 62.300 0.020 0.000 1.048 407 V CB -0.435 31.422 31.823 0.056 0.000 0.666 407 V HN 0.299 nan 8.190 nan 0.000 0.456 408 M N 1.448 120.949 119.600 -0.164 0.000 2.159 408 M HA 0.044 4.524 4.480 0.000 0.000 0.263 408 M C 2.353 178.623 176.300 -0.051 0.000 1.063 408 M CA 1.868 57.086 55.300 -0.137 0.000 1.110 408 M CB -2.076 30.399 32.600 -0.208 0.000 1.374 408 M HN 0.552 nan 8.290 nan 0.000 0.411 409 G N 0.767 109.546 108.800 -0.035 0.000 2.453 409 G HA2 -0.215 3.745 3.960 0.000 0.000 0.215 409 G HA3 -0.215 3.745 3.960 0.000 0.000 0.215 409 G C 1.577 176.490 174.900 0.022 0.000 1.201 409 G CA 0.966 46.061 45.100 -0.008 0.000 0.784 409 G HN 0.438 nan 8.290 nan 0.000 0.545 410 L N 0.372 121.610 121.223 0.025 0.000 2.043 410 L HA -0.082 4.258 4.340 0.000 0.000 0.212 410 L C 2.575 179.464 176.870 0.031 0.000 1.075 410 L CA 2.697 57.559 54.840 0.037 0.000 0.752 410 L CB -0.444 41.606 42.059 -0.015 0.000 0.891 410 L HN 0.383 nan 8.230 nan 0.000 0.432 411 E N -0.337 119.867 120.200 0.007 0.000 2.038 411 E HA -0.276 4.074 4.350 0.000 0.000 0.195 411 E C 2.091 178.705 176.600 0.023 0.000 1.000 411 E CA 1.872 58.281 56.400 0.014 0.000 0.803 411 E CB -0.125 29.578 29.700 0.004 0.000 0.750 411 E HN 0.673 nan 8.360 nan 0.000 0.448 412 E N -0.724 119.491 120.200 0.025 0.000 2.058 412 E HA -0.248 4.102 4.350 0.000 0.000 0.194 412 E C 2.101 178.719 176.600 0.029 0.000 0.997 412 E CA 1.481 57.898 56.400 0.028 0.000 0.801 412 E CB -0.238 29.478 29.700 0.027 0.000 0.746 412 E HN 0.334 nan 8.360 nan 0.000 0.450 413 H N 0.464 119.504 119.070 -0.051 0.000 2.389 413 H HA -0.025 4.531 4.556 0.000 0.000 0.299 413 H C 1.974 177.226 175.328 -0.127 0.000 1.081 413 H CA 1.228 57.230 56.048 -0.076 0.000 1.345 413 H CB -0.135 29.583 29.762 -0.073 0.000 1.393 413 H HN 0.052 nan 8.280 nan 0.000 0.520 414 L N -0.159 120.908 121.223 -0.260 0.000 2.046 414 L HA -0.152 4.188 4.340 0.000 0.000 0.208 414 L C 2.024 178.661 176.870 -0.389 0.000 1.077 414 L CA 1.291 55.869 54.840 -0.436 0.000 0.747 414 L CB -0.274 41.663 42.059 -0.204 0.000 0.896 414 L HN 0.402 nan 8.230 nan 0.000 0.432 415 L N -3.321 117.871 121.223 -0.053 0.000 2.492 415 L HA 0.044 4.384 4.340 0.000 0.000 0.223 415 L C 2.317 179.199 176.870 0.021 0.000 1.132 415 L CA 1.277 56.185 54.840 0.114 0.000 0.850 415 L CB -1.818 40.334 42.059 0.156 0.000 0.966 415 L HN 0.148 nan 8.230 nan 0.000 0.454 416 T N -3.835 110.674 114.554 -0.075 0.000 2.942 416 T HA -0.090 4.261 4.350 0.000 0.000 0.265 416 T C 1.805 176.438 174.700 -0.111 0.000 1.062 416 T CA 1.145 63.206 62.100 -0.066 0.000 1.139 416 T CB -0.339 68.498 68.868 -0.051 0.000 0.883 416 T HN 0.340 nan 8.240 nan 0.000 0.468 417 M N -0.269 119.176 119.600 -0.259 0.000 2.200 417 M HA 0.087 4.567 4.480 0.000 0.000 0.265 417 M C 1.524 177.718 176.300 -0.176 0.000 1.066 417 M CA 1.396 56.517 55.300 -0.299 0.000 1.127 417 M CB -0.402 31.875 32.600 -0.539 0.000 1.379 417 M HN 0.226 nan 8.290 nan 0.000 0.420 418 F N 1.189 121.081 119.950 -0.096 0.000 2.269 418 F HA -0.126 4.401 4.527 0.000 0.000 0.301 418 F C 1.194 176.967 175.800 -0.046 0.000 1.082 418 F CA 1.054 59.016 58.000 -0.064 0.000 1.360 418 F CB -0.244 38.721 39.000 -0.058 0.000 1.041 418 F HN 0.289 nan 8.300 nan 0.000 0.512 419 R N 0.004 120.585 120.500 0.135 0.000 2.644 419 R HA 0.492 4.832 4.340 0.000 0.000 0.271 419 R C -1.658 174.661 176.300 0.033 0.000 1.687 419 R CA -0.517 55.628 56.100 0.074 0.000 1.655 419 R CB -0.056 30.283 30.300 0.065 0.000 1.285 419 R HN 0.064 nan 8.270 nan 0.000 0.643 420 E N -0.018 120.194 120.200 0.020 0.000 2.291 420 E HA 0.473 4.823 4.350 0.000 0.000 0.276 420 E C -1.443 175.155 176.600 -0.002 0.000 0.896 420 E CA -0.888 55.525 56.400 0.022 0.000 0.774 420 E CB 1.867 31.588 29.700 0.034 0.000 1.227 420 E HN 0.160 nan 8.360 nan 0.000 0.413 421 D N 0.000 120.387 120.400 -0.022 0.000 6.856 421 D HA 0.000 4.640 4.640 0.000 0.000 0.175 421 D CA 0.000 53.984 54.000 -0.027 0.000 0.868 421 D CB 0.000 40.779 40.800 -0.036 0.000 0.688 421 D HN 0.000 nan 8.370 nan 0.000 0.683