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 3aeu_1_D DATA FIRST_RESID 1 DATA SEQUENCE MKLTLWTYEG PPHVGAMRVA TAMKDLQLVL HGPQGATYAD 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 EEHLLTMFR 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 0.000 176.321 176.300 0.035 0.000 1.140 1 M CA 0.000 55.324 55.300 0.041 0.000 0.988 1 M CB 0.000 32.623 32.600 0.039 0.000 1.302 2 K N 2.188 122.610 120.400 0.038 0.000 2.513 2 K HA 0.629 4.949 4.320 0.000 0.000 0.251 2 K C -1.688 174.931 176.600 0.032 0.000 0.939 2 K CA -0.823 55.484 56.287 0.033 0.000 0.793 2 K CB 2.551 35.072 32.500 0.037 0.000 1.241 2 K HN 0.913 nan 8.250 nan 0.000 0.431 3 L N 3.422 124.661 121.223 0.027 0.000 2.601 3 L HA 0.077 4.417 4.340 0.000 0.000 0.277 3 L C -0.948 175.947 176.870 0.042 0.000 1.219 3 L CA 1.062 55.919 54.840 0.028 0.000 0.915 3 L CB 0.440 42.513 42.059 0.024 0.000 1.160 3 L HN 0.895 nan 8.230 nan 0.000 0.494 4 T N 5.724 120.303 114.554 0.041 0.000 3.011 4 T HA 0.244 4.594 4.350 0.000 0.000 0.303 4 T C 0.238 174.967 174.700 0.048 0.000 0.997 4 T CA -0.519 61.613 62.100 0.053 0.000 1.007 4 T CB 2.091 70.971 68.868 0.020 0.000 1.017 4 T HN 0.468 nan 8.240 nan 0.000 0.443 5 L N 2.704 123.993 121.223 0.110 0.000 2.370 5 L HA 0.587 4.927 4.340 0.000 0.000 0.191 5 L C 0.418 177.311 176.870 0.038 0.000 1.203 5 L CA 0.338 55.228 54.840 0.084 0.000 0.825 5 L CB -0.119 42.027 42.059 0.145 0.000 1.048 5 L HN 0.705 nan 8.230 nan 0.000 0.487 6 W N 1.490 122.700 121.300 -0.150 0.000 2.251 6 W HA 0.410 5.070 4.660 0.000 0.000 0.329 6 W C -0.914 175.479 176.519 -0.209 0.000 1.234 6 W CA 0.039 57.204 57.345 -0.300 0.000 1.228 6 W CB 0.897 29.994 29.460 -0.605 0.000 1.135 6 W HN 0.242 nan 8.180 nan 0.000 0.576 7 T N 4.794 118.615 114.554 -1.221 0.000 2.928 7 T HA 0.263 4.613 4.350 0.000 0.000 0.296 7 T C 0.137 174.060 174.700 -1.296 0.000 1.000 7 T CA -0.405 61.160 62.100 -0.891 0.000 0.989 7 T CB 0.787 69.367 68.868 -0.480 0.000 1.005 7 T HN 0.399 nan 8.240 nan 0.000 0.442 8 Y N 2.495 122.385 120.300 -0.683 0.000 2.314 8 Y HA 0.230 4.780 4.550 0.000 0.000 0.293 8 Y C 1.523 177.065 175.900 -0.597 0.000 1.129 8 Y CA 0.560 58.257 58.100 -0.672 0.000 1.201 8 Y CB 0.455 38.410 38.460 -0.842 0.000 0.999 8 Y HN 0.565 nan 8.280 nan 0.000 0.541 9 E N -1.384 118.658 120.200 -0.263 0.000 2.317 9 E HA 0.406 4.756 4.350 0.000 0.000 0.270 9 E C -0.148 176.356 176.600 -0.161 0.000 0.885 9 E CA -0.635 55.676 56.400 -0.147 0.000 0.760 9 E CB 1.861 31.560 29.700 -0.002 0.000 1.227 9 E HN 0.169 nan 8.360 nan 0.000 0.434 10 G N 1.599 110.319 108.800 -0.134 0.000 2.553 10 G HA2 0.334 4.294 3.960 0.000 0.000 0.278 10 G HA3 0.334 4.294 3.960 0.000 0.000 0.278 10 G C -2.304 172.538 174.900 -0.096 0.000 1.349 10 G CA -0.820 44.203 45.100 -0.128 0.000 1.037 10 G HN 0.298 nan 8.290 nan 0.000 0.508 11 P HA 0.196 nan 4.420 nan 0.000 0.274 11 P C -2.183 175.065 177.300 -0.087 0.000 1.246 11 P CA -1.287 61.767 63.100 -0.076 0.000 0.795 11 P CB 1.270 32.955 31.700 -0.025 0.000 1.006 12 P HA -0.205 nan 4.420 nan 0.000 0.216 12 P C 1.660 178.990 177.300 0.050 0.000 1.150 12 P CA 1.655 64.800 63.100 0.076 0.000 0.837 12 P CB -0.724 31.079 31.700 0.172 0.000 0.786 13 H N -0.915 118.189 119.070 0.057 0.000 2.422 13 H HA -0.059 4.497 4.556 0.000 0.000 0.298 13 H C 1.551 176.907 175.328 0.047 0.000 1.098 13 H CA 1.092 57.168 56.048 0.046 0.000 1.315 13 H CB -1.115 28.683 29.762 0.060 0.000 1.382 13 H HN -0.059 nan 8.280 nan 0.000 0.523 14 V N 1.722 121.348 119.914 -0.479 0.000 2.332 14 V HA -0.229 3.891 4.120 0.000 0.000 0.248 14 V C 3.101 179.187 176.094 -0.013 0.000 1.055 14 V CA 1.938 64.106 62.300 -0.221 0.000 1.038 14 V CB -1.137 30.527 31.823 -0.265 0.000 0.651 14 V HN 0.722 nan 8.190 nan 0.000 0.450 15 G N -0.628 108.159 108.800 -0.022 0.000 2.442 15 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 15 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 15 G C 1.780 176.698 174.900 0.031 0.000 1.141 15 G CA 1.086 46.199 45.100 0.021 0.000 0.763 15 G HN 0.621 nan 8.290 nan 0.000 0.554 16 A N 1.001 123.838 122.820 0.029 0.000 1.865 16 A HA -0.073 4.247 4.320 0.000 0.000 0.217 16 A C 2.476 180.053 177.584 -0.011 0.000 1.191 16 A CA 2.032 54.078 52.037 0.016 0.000 0.623 16 A CB -0.428 18.592 19.000 0.032 0.000 0.826 16 A HN 0.388 nan 8.150 nan 0.000 0.444 17 M N -1.643 117.956 119.600 -0.001 0.000 2.213 17 M HA -0.149 4.331 4.480 0.000 0.000 0.263 17 M C 2.343 178.563 176.300 -0.133 0.000 1.062 17 M CA 1.590 56.824 55.300 -0.110 0.000 1.105 17 M CB -0.369 32.196 32.600 -0.059 0.000 1.385 17 M HN 0.338 nan 8.290 nan 0.000 0.417 18 R N -0.066 120.500 120.500 0.109 0.000 2.120 18 R HA -0.086 4.254 4.340 0.000 0.000 0.234 18 R C 2.104 178.426 176.300 0.036 0.000 1.123 18 R CA 1.083 57.292 56.100 0.180 0.000 0.975 18 R CB -0.227 30.164 30.300 0.153 0.000 0.866 18 R HN 0.217 nan 8.270 nan 0.000 0.446 19 V N 0.110 120.022 119.914 -0.002 0.000 2.346 19 V HA -0.144 3.976 4.120 0.000 0.000 0.244 19 V C 2.285 178.350 176.094 -0.049 0.000 1.037 19 V CA 1.824 64.113 62.300 -0.019 0.000 1.029 19 V CB -0.612 31.227 31.823 0.027 0.000 0.663 19 V HN 0.408 nan 8.190 nan 0.000 0.454 20 A N 0.423 123.191 122.820 -0.087 0.000 1.858 20 A HA -0.228 4.092 4.320 0.000 0.000 0.216 20 A C 2.391 179.877 177.584 -0.164 0.000 1.190 20 A CA 2.621 54.584 52.037 -0.124 0.000 0.617 20 A CB -1.152 17.752 19.000 -0.161 0.000 0.827 20 A HN 0.510 nan 8.150 nan 0.000 0.443 21 T N 0.467 114.869 114.554 -0.254 0.000 2.833 21 T HA 0.016 4.366 4.350 0.000 0.000 0.269 21 T C 2.065 176.692 174.700 -0.122 0.000 1.054 21 T CA 1.338 63.273 62.100 -0.276 0.000 1.135 21 T CB -0.401 68.147 68.868 -0.534 0.000 0.869 21 T HN 0.594 nan 8.240 nan 0.000 0.466 22 A N 0.997 123.775 122.820 -0.070 0.000 2.015 22 A HA 0.155 4.475 4.320 0.000 0.000 0.219 22 A C 1.376 178.940 177.584 -0.034 0.000 1.163 22 A CA 0.830 52.852 52.037 -0.025 0.000 0.646 22 A CB -0.461 18.526 19.000 -0.021 0.000 0.806 22 A HN 0.429 nan 8.150 nan 0.000 0.448 23 M N -0.472 119.099 119.600 -0.048 0.000 2.369 23 M HA 0.364 4.845 4.480 0.000 0.000 0.291 23 M C -0.147 176.126 176.300 -0.044 0.000 1.178 23 M CA -0.345 54.934 55.300 -0.034 0.000 0.996 23 M CB 1.188 33.774 32.600 -0.023 0.000 1.472 23 M HN 0.323 nan 8.290 nan 0.000 0.496 24 K N -0.774 119.607 120.400 -0.031 0.000 2.385 24 K HA 0.450 4.770 4.320 0.000 0.000 0.248 24 K C -1.117 175.464 176.600 -0.032 0.000 0.955 24 K CA -0.879 55.386 56.287 -0.038 0.000 0.816 24 K CB 1.472 33.957 32.500 -0.024 0.000 1.250 24 K HN 0.661 nan 8.250 nan 0.000 0.434 25 D N 0.382 120.758 120.400 -0.039 0.000 2.723 25 D HA -0.204 4.436 4.640 0.000 0.000 0.236 25 D C -0.933 175.347 176.300 -0.032 0.000 1.138 25 D CA 0.987 54.970 54.000 -0.029 0.000 0.676 25 D CB -1.091 39.701 40.800 -0.013 0.000 1.069 25 D HN 0.549 nan 8.370 nan 0.000 0.430 26 L N -0.184 121.006 121.223 -0.055 0.000 2.438 26 L HA 0.272 4.612 4.340 0.000 0.000 0.270 26 L C -0.983 175.832 176.870 -0.092 0.000 0.972 26 L CA -0.538 54.269 54.840 -0.055 0.000 0.831 26 L CB 1.701 43.734 42.059 -0.044 0.000 1.273 26 L HN -0.219 nan 8.230 nan 0.000 0.405 27 Q N 4.123 123.875 119.800 -0.080 0.000 2.293 27 Q HA 0.430 4.770 4.340 0.000 0.000 0.261 27 Q C -1.158 174.779 176.000 -0.105 0.000 0.960 27 Q CA -0.657 55.078 55.803 -0.113 0.000 0.882 27 Q CB 2.679 31.375 28.738 -0.071 0.000 1.275 27 Q HN 0.575 nan 8.270 nan 0.000 0.445 28 L N 2.883 124.015 121.223 -0.151 0.000 2.309 28 L HA 0.510 4.850 4.340 0.000 0.000 0.282 28 L C -1.143 175.608 176.870 -0.198 0.000 1.036 28 L CA -0.536 54.208 54.840 -0.159 0.000 0.806 28 L CB 1.715 43.664 42.059 -0.184 0.000 1.220 28 L HN 0.318 nan 8.230 nan 0.000 0.429 29 V N 6.350 126.161 119.914 -0.172 0.000 2.487 29 V HA 0.498 4.618 4.120 0.000 0.000 0.298 29 V C -0.384 175.582 176.094 -0.213 0.000 1.028 29 V CA -0.523 61.660 62.300 -0.195 0.000 0.860 29 V CB 1.622 33.383 31.823 -0.104 0.000 0.991 29 V HN 0.607 nan 8.190 nan 0.000 0.427 30 L N 4.006 125.022 121.223 -0.346 0.000 2.356 30 L HA 0.509 4.849 4.340 0.000 0.000 0.277 30 L C -0.051 176.780 176.870 -0.064 0.000 0.996 30 L CA -0.440 54.232 54.840 -0.279 0.000 0.822 30 L CB 1.629 43.354 42.059 -0.557 0.000 1.256 30 L HN 0.671 nan 8.230 nan 0.000 0.413 31 H N 2.790 121.834 119.070 -0.043 0.000 2.742 31 H HA 0.559 5.115 4.556 0.000 0.000 0.302 31 H C -0.211 175.164 175.328 0.079 0.000 1.069 31 H CA -0.075 56.019 56.048 0.076 0.000 1.446 31 H CB 0.885 30.730 29.762 0.139 0.000 1.462 31 H HN 0.761 nan 8.280 nan 0.000 0.499 32 G N 5.054 113.808 108.800 -0.077 0.000 2.523 32 G HA2 0.167 4.127 3.960 0.000 0.000 0.291 32 G HA3 0.167 4.127 3.960 0.000 0.000 0.291 32 G C -3.327 170.886 174.900 -1.145 0.000 1.450 32 G CA -1.099 43.751 45.100 -0.417 0.000 0.790 32 G HN 0.375 nan 8.290 nan 0.000 0.496 33 P HA 0.178 nan 4.420 nan 0.000 0.276 33 P C -0.421 176.608 177.300 -0.452 0.000 1.244 33 P CA -0.367 62.217 63.100 -0.860 0.000 0.801 33 P CB 1.079 32.600 31.700 -0.297 0.000 1.006 34 Q N 0.601 120.222 119.800 -0.298 0.000 2.339 34 Q HA 0.102 4.443 4.340 0.000 0.000 0.308 34 Q C 0.831 176.740 176.000 -0.152 0.000 1.097 34 Q CA 1.665 57.368 55.803 -0.168 0.000 1.007 34 Q CB -0.831 27.869 28.738 -0.064 0.000 1.051 34 Q HN 0.896 nan 8.270 nan 0.000 0.381 35 G N 2.589 111.282 108.800 -0.178 0.000 2.480 35 G HA2 -0.243 3.717 3.960 0.000 0.000 0.193 35 G HA3 -0.243 3.717 3.960 0.000 0.000 0.193 35 G C 0.699 175.521 174.900 -0.130 0.000 1.004 35 G CA 0.165 45.192 45.100 -0.123 0.000 0.696 35 G HN 0.797 nan 8.290 nan 0.000 0.478 36 A N 0.998 123.634 122.820 -0.307 0.000 2.121 36 A HA 0.225 4.545 4.320 0.000 0.000 0.218 36 A C 2.395 179.458 177.584 -0.868 0.000 1.154 36 A CA 2.698 54.471 52.037 -0.441 0.000 0.679 36 A CB -0.939 17.729 19.000 -0.555 0.000 0.795 36 A HN 1.308 nan 8.150 nan 0.000 0.458 37 T N -1.995 112.033 114.554 -0.877 0.000 3.155 37 T HA -0.184 4.166 4.350 0.000 0.000 0.264 37 T C 1.507 176.023 174.700 -0.307 0.000 1.160 37 T CA 1.073 62.747 62.100 -0.710 0.000 1.075 37 T CB -0.904 67.744 68.868 -0.366 0.000 0.921 37 T HN 0.794 nan 8.240 nan 0.000 0.533 38 Y N 1.803 121.976 120.300 -0.210 0.000 2.256 38 Y HA 0.137 4.687 4.550 0.000 0.000 0.288 38 Y C 2.433 178.315 175.900 -0.031 0.000 1.155 38 Y CA 0.298 58.339 58.100 -0.098 0.000 1.203 38 Y CB -0.906 37.498 38.460 -0.094 0.000 0.980 38 Y HN 0.232 nan 8.280 nan 0.000 0.530 39 A N 0.588 122.843 122.820 -0.941 0.000 2.066 39 A HA -0.129 4.192 4.320 0.000 0.000 0.218 39 A C 1.716 179.284 177.584 -0.028 0.000 1.157 39 A CA 1.304 53.021 52.037 -0.533 0.000 0.670 39 A CB -0.760 17.937 19.000 -0.505 0.000 0.804 39 A HN 0.524 nan 8.150 nan 0.000 0.453 40 D N 0.107 120.519 120.400 0.019 0.000 2.192 40 D HA -0.253 4.387 4.640 0.000 0.000 0.189 40 D C 1.780 178.167 176.300 0.146 0.000 1.007 40 D CA 1.624 55.702 54.000 0.129 0.000 0.859 40 D CB -0.564 40.267 40.800 0.052 0.000 0.936 40 D HN 0.462 nan 8.370 nan 0.000 0.447 41 L N -0.112 121.141 121.223 0.050 0.000 2.103 41 L HA -0.264 4.076 4.340 0.000 0.000 0.215 41 L C 2.110 178.959 176.870 -0.035 0.000 1.080 41 L CA 1.097 55.950 54.840 0.021 0.000 0.764 41 L CB -0.117 41.957 42.059 0.025 0.000 0.890 41 L HN 0.048 nan 8.230 nan 0.000 0.435 42 L N -1.047 120.105 121.223 -0.118 0.000 2.083 42 L HA -0.204 4.136 4.340 0.000 0.000 0.209 42 L C 2.090 178.671 176.870 -0.483 0.000 1.083 42 L CA 1.978 56.603 54.840 -0.358 0.000 0.752 42 L CB -0.919 40.796 42.059 -0.574 0.000 0.899 42 L HN 0.197 nan 8.230 nan 0.000 0.433 43 F N -1.456 118.417 119.950 -0.128 0.000 2.149 43 F HA -0.085 4.442 4.527 0.000 0.000 0.294 43 F C 2.498 178.234 175.800 -0.106 0.000 1.095 43 F CA 1.203 59.125 58.000 -0.129 0.000 1.276 43 F CB -1.376 37.566 39.000 -0.098 0.000 1.023 43 F HN -0.107 nan 8.300 nan 0.000 0.480 44 T N 0.245 114.865 114.554 0.111 0.000 2.720 44 T HA -0.180 4.170 4.350 0.000 0.000 0.268 44 T C 1.931 176.625 174.700 -0.011 0.000 1.037 44 T CA 1.427 63.552 62.100 0.042 0.000 1.144 44 T CB -0.098 68.795 68.868 0.040 0.000 0.864 44 T HN 0.003 nan 8.240 nan 0.000 0.444 45 M N -0.348 119.223 119.600 -0.047 0.000 2.553 45 M HA 0.344 4.825 4.480 0.000 0.000 0.255 45 M C 2.270 178.497 176.300 -0.122 0.000 1.181 45 M CA 0.818 56.079 55.300 -0.064 0.000 1.210 45 M CB -1.152 31.424 32.600 -0.040 0.000 1.280 45 M HN 0.174 nan 8.290 nan 0.000 0.495 46 I N 0.096 120.545 120.570 -0.202 0.000 2.133 46 I HA -0.245 3.926 4.170 0.000 0.000 0.238 46 I C 1.932 177.797 176.117 -0.420 0.000 1.074 46 I CA 1.310 62.410 61.300 -0.333 0.000 1.342 46 I CB -0.336 37.384 38.000 -0.468 0.000 1.053 46 I HN 0.361 nan 8.210 nan 0.000 0.404 47 E N 0.770 120.705 120.200 -0.441 0.000 2.502 47 E HA -0.064 4.286 4.350 0.000 0.000 0.194 47 E C 0.393 176.969 176.600 -0.040 0.000 1.062 47 E CA -0.135 56.132 56.400 -0.222 0.000 0.867 47 E CB 0.081 29.705 29.700 -0.127 0.000 0.888 47 E HN 0.176 nan 8.360 nan 0.000 0.510 48 R N 1.506 121.972 120.500 -0.056 0.000 3.405 48 R HA -0.186 4.154 4.340 0.000 0.000 0.258 48 R C -0.640 175.669 176.300 0.015 0.000 1.030 48 R CA 0.221 56.314 56.100 -0.011 0.000 0.691 48 R CB -1.033 29.271 30.300 0.007 0.000 1.093 48 R HN 0.078 nan 8.270 nan 0.000 0.448 49 R N 0.627 121.141 120.500 0.025 0.000 2.643 49 R HA -0.020 4.320 4.340 0.000 0.000 0.270 49 R C 1.252 177.566 176.300 0.023 0.000 1.061 49 R CA 0.473 56.594 56.100 0.035 0.000 1.107 49 R CB 0.281 30.614 30.300 0.056 0.000 0.999 49 R HN 0.423 nan 8.270 nan 0.000 0.460 50 N N 0.049 118.760 118.700 0.018 0.000 2.270 50 N HA 0.054 4.794 4.740 0.000 0.000 0.198 50 N C -0.611 174.904 175.510 0.007 0.000 1.117 50 N CA -0.173 52.885 53.050 0.013 0.000 0.845 50 N CB 0.785 39.280 38.487 0.013 0.000 0.980 50 N HN 0.466 nan 8.380 nan 0.000 0.486 51 A N 0.745 123.565 122.820 0.000 0.000 2.515 51 A HA 0.589 4.909 4.320 0.000 0.000 0.298 51 A C -0.376 177.193 177.584 -0.025 0.000 1.059 51 A CA -1.056 50.974 52.037 -0.012 0.000 0.698 51 A CB 1.505 20.490 19.000 -0.024 0.000 1.289 51 A HN 0.304 nan 8.150 nan 0.000 0.404 52 R N 1.390 121.872 120.500 -0.030 0.000 2.590 52 R HA 0.383 4.723 4.340 0.000 0.000 0.274 52 R C -2.523 173.714 176.300 -0.106 0.000 1.061 52 R CA -0.948 55.127 56.100 -0.042 0.000 1.081 52 R CB -0.606 29.681 30.300 -0.023 0.000 0.984 52 R HN 0.322 nan 8.270 nan 0.000 0.448 53 P HA 0.053 nan 4.420 nan 0.000 0.269 53 P C -2.187 174.957 177.300 -0.260 0.000 1.209 53 P CA -1.255 61.689 63.100 -0.260 0.000 0.776 53 P CB 0.120 31.564 31.700 -0.428 0.000 0.876 54 P HA 0.042 nan 4.420 nan 0.000 0.231 54 P C -0.917 176.217 177.300 -0.277 0.000 1.756 54 P CA 0.452 63.368 63.100 -0.306 0.000 0.990 54 P CB -0.134 31.405 31.700 -0.268 0.000 1.973 55 V N 1.009 120.771 119.914 -0.253 0.000 2.623 55 V HA 0.413 4.533 4.120 0.000 0.000 0.304 55 V C 0.017 175.987 176.094 -0.207 0.000 1.054 55 V CA -0.546 61.594 62.300 -0.267 0.000 0.882 55 V CB 2.227 33.887 31.823 -0.271 0.000 1.002 55 V HN 0.383 nan 8.190 nan 0.000 0.424 56 S N 3.690 119.221 115.700 -0.281 0.000 2.526 56 S HA 0.886 5.356 4.470 0.000 0.000 0.293 56 S C -1.212 173.222 174.600 -0.276 0.000 1.092 56 S CA -0.639 57.487 58.200 -0.123 0.000 0.980 56 S CB 1.818 64.996 63.200 -0.036 0.000 1.048 56 S HN 0.310 nan 8.310 nan 0.000 0.483 57 F N 1.391 121.311 119.950 -0.049 0.000 2.508 57 F HA 0.486 5.013 4.527 0.000 0.000 0.325 57 F C 1.795 177.565 175.800 -0.050 0.000 1.090 57 F CA -0.811 57.149 58.000 -0.067 0.000 0.945 57 F CB 2.226 41.159 39.000 -0.112 0.000 1.156 57 F HN 0.808 nan 8.300 nan 0.000 0.463 58 S N -0.352 115.436 115.700 0.147 0.000 2.423 58 S HA -0.126 4.344 4.470 0.000 0.000 0.231 58 S C 0.761 175.389 174.600 0.047 0.000 1.014 58 S CA 1.000 59.275 58.200 0.125 0.000 0.965 58 S CB -0.908 62.465 63.200 0.289 0.000 0.785 58 S HN 0.830 nan 8.310 nan 0.000 0.495 59 T N 2.364 116.879 114.554 -0.066 0.000 3.886 59 T HA -0.172 4.178 4.350 0.000 0.000 0.371 59 T C -0.054 174.538 174.700 -0.180 0.000 0.760 59 T CA 0.872 62.869 62.100 -0.171 0.000 1.966 59 T CB -2.752 66.085 68.868 -0.052 0.000 1.793 59 T HN 0.698 nan 8.240 nan 0.000 0.798 60 F N 0.301 120.206 119.950 -0.075 0.000 2.440 60 F HA 0.686 5.213 4.527 0.000 0.000 0.323 60 F C 0.803 176.596 175.800 -0.011 0.000 1.192 60 F CA -0.833 57.056 58.000 -0.185 0.000 1.252 60 F CB 0.707 39.622 39.000 -0.142 0.000 1.214 60 F HN 0.416 nan 8.300 nan 0.000 0.578 61 E N 1.119 121.599 120.200 0.466 0.000 2.415 61 E HA 0.607 4.957 4.350 0.000 0.000 0.255 61 E C 0.471 177.263 176.600 0.320 0.000 0.936 61 E CA -0.591 56.022 56.400 0.356 0.000 0.876 61 E CB 1.200 31.056 29.700 0.260 0.000 1.696 61 E HN 0.649 nan 8.360 nan 0.000 0.435 62 A N 1.089 124.021 122.820 0.185 0.000 1.859 62 A HA -0.247 4.073 4.320 0.000 0.000 0.217 62 A C 2.258 179.890 177.584 0.080 0.000 1.198 62 A CA 3.272 55.377 52.037 0.113 0.000 0.629 62 A CB -1.497 17.544 19.000 0.067 0.000 0.830 62 A HN 0.721 nan 8.150 nan 0.000 0.446 63 S N -1.164 114.556 115.700 0.034 0.000 2.493 63 S HA -0.188 4.283 4.470 0.000 0.000 0.243 63 S C 1.443 175.972 174.600 -0.119 0.000 0.991 63 S CA 1.268 59.428 58.200 -0.066 0.000 0.957 63 S CB -0.818 62.303 63.200 -0.132 0.000 0.756 63 S HN 0.698 nan 8.310 nan 0.000 0.521 64 H N 0.516 119.616 119.070 0.050 0.000 2.539 64 H HA 0.261 4.817 4.556 0.000 0.000 0.267 64 H C 0.141 175.461 175.328 -0.013 0.000 0.982 64 H CA 0.289 56.361 56.048 0.040 0.000 1.146 64 H CB -0.045 29.774 29.762 0.096 0.000 1.382 64 H HN 0.425 nan 8.280 nan 0.000 0.577 65 M N 1.652 121.290 119.600 0.062 0.000 2.760 65 M HA 0.226 4.706 4.480 0.000 0.000 0.314 65 M C 0.825 177.124 176.300 -0.003 0.000 1.582 65 M CA 0.366 55.665 55.300 -0.001 0.000 1.484 65 M CB -0.634 31.960 32.600 -0.009 0.000 1.621 65 M HN 0.276 nan 8.290 nan 0.000 0.470 66 G N 1.225 110.024 108.800 -0.001 0.000 2.313 66 G HA2 0.188 4.148 3.960 0.000 0.000 0.296 66 G HA3 0.188 4.148 3.960 0.000 0.000 0.296 66 G C 0.352 175.260 174.900 0.013 0.000 1.356 66 G CA -0.103 44.999 45.100 0.004 0.000 0.833 66 G HN 0.475 nan 8.290 nan 0.000 0.552 67 T N -2.085 112.477 114.554 0.014 0.000 2.896 67 T HA -0.169 4.182 4.350 0.000 0.000 0.270 67 T C 1.530 176.250 174.700 0.033 0.000 1.104 67 T CA 2.592 64.702 62.100 0.017 0.000 1.115 67 T CB -0.608 68.268 68.868 0.013 0.000 0.843 67 T HN 0.478 nan 8.240 nan 0.000 0.523 68 D N 1.861 122.296 120.400 0.058 0.000 2.254 68 D HA -0.153 4.487 4.640 0.000 0.000 0.201 68 D C 2.438 178.795 176.300 0.095 0.000 0.998 68 D CA 1.940 56.004 54.000 0.107 0.000 0.885 68 D CB -0.660 40.271 40.800 0.217 0.000 0.915 68 D HN 0.777 nan 8.370 nan 0.000 0.460 69 T N -1.885 112.706 114.554 0.061 0.000 2.851 69 T HA 0.082 4.432 4.350 0.000 0.000 0.262 69 T C 2.154 176.893 174.700 0.065 0.000 1.043 69 T CA 0.850 62.992 62.100 0.070 0.000 1.140 69 T CB -0.550 68.289 68.868 -0.049 0.000 0.872 69 T HN 0.154 nan 8.240 nan 0.000 0.446 70 A N 2.505 125.339 122.820 0.023 0.000 1.908 70 A HA -0.014 4.306 4.320 0.000 0.000 0.218 70 A C 2.367 179.920 177.584 -0.052 0.000 1.181 70 A CA 1.715 53.733 52.037 -0.032 0.000 0.627 70 A CB -0.855 18.138 19.000 -0.011 0.000 0.818 70 A HN 0.522 nan 8.150 nan 0.000 0.445 71 I N -0.256 120.308 120.570 -0.009 0.000 2.264 71 I HA -0.232 3.938 4.170 0.000 0.000 0.248 71 I C 2.407 178.519 176.117 -0.007 0.000 1.111 71 I CA 1.093 62.392 61.300 -0.001 0.000 1.382 71 I CB -1.685 36.331 38.000 0.026 0.000 1.060 71 I HN 0.281 nan 8.210 nan 0.000 0.418 72 L N -0.117 121.108 121.223 0.003 0.000 2.027 72 L HA -0.187 4.153 4.340 0.000 0.000 0.206 72 L C 2.565 179.411 176.870 -0.039 0.000 1.074 72 L CA 0.819 55.667 54.840 0.012 0.000 0.745 72 L CB -0.470 41.629 42.059 0.068 0.000 0.898 72 L HN 0.211 nan 8.230 nan 0.000 0.433 73 L N -0.118 121.003 121.223 -0.170 0.000 2.131 73 L HA -0.219 4.121 4.340 0.000 0.000 0.210 73 L C 2.463 179.262 176.870 -0.118 0.000 1.092 73 L CA 1.743 56.442 54.840 -0.235 0.000 0.759 73 L CB -0.578 41.161 42.059 -0.532 0.000 0.903 73 L HN 0.105 nan 8.230 nan 0.000 0.435 74 K N -0.511 119.835 120.400 -0.090 0.000 2.026 74 K HA -0.183 4.137 4.320 0.000 0.000 0.208 74 K C 1.739 178.322 176.600 -0.028 0.000 1.048 74 K CA 1.807 58.063 56.287 -0.052 0.000 0.929 74 K CB -0.178 32.299 32.500 -0.038 0.000 0.713 74 K HN 0.418 nan 8.250 nan 0.000 0.439 75 D N 0.369 120.760 120.400 -0.015 0.000 2.097 75 D HA -0.159 4.481 4.640 0.000 0.000 0.195 75 D C 1.797 178.102 176.300 0.008 0.000 0.989 75 D CA 1.312 55.314 54.000 0.003 0.000 0.827 75 D CB -0.348 40.461 40.800 0.015 0.000 0.966 75 D HN 0.240 nan 8.370 nan 0.000 0.456 76 A N 1.130 123.952 122.820 0.002 0.000 1.859 76 A HA -0.196 4.124 4.320 0.000 0.000 0.217 76 A C 2.462 180.050 177.584 0.007 0.000 1.198 76 A CA 1.347 53.388 52.037 0.007 0.000 0.629 76 A CB -1.051 17.947 19.000 -0.003 0.000 0.830 76 A HN 0.217 nan 8.150 nan 0.000 0.446 77 L N -0.922 120.295 121.223 -0.011 0.000 2.012 77 L HA -0.259 4.081 4.340 0.000 0.000 0.210 77 L C 3.144 180.033 176.870 0.031 0.000 1.073 77 L CA 1.272 56.112 54.840 -0.000 0.000 0.748 77 L CB -0.589 41.457 42.059 -0.022 0.000 0.891 77 L HN 0.484 nan 8.230 nan 0.000 0.431 78 A N -0.134 122.698 122.820 0.019 0.000 1.858 78 A HA -0.208 4.112 4.320 0.000 0.000 0.216 78 A C 2.513 180.136 177.584 0.065 0.000 1.190 78 A CA 1.896 53.952 52.037 0.032 0.000 0.617 78 A CB -0.878 18.128 19.000 0.010 0.000 0.827 78 A HN 0.417 nan 8.150 nan 0.000 0.443 79 A N -0.340 122.510 122.820 0.049 0.000 1.933 79 A HA 0.156 4.476 4.320 0.000 0.000 0.218 79 A C 2.471 180.097 177.584 0.070 0.000 1.175 79 A CA 2.126 54.191 52.037 0.047 0.000 0.628 79 A CB -0.927 18.097 19.000 0.040 0.000 0.814 79 A HN 1.069 nan 8.150 nan 0.000 0.444 80 A N -1.387 121.497 122.820 0.107 0.000 1.898 80 A HA -0.167 4.153 4.320 0.000 0.000 0.216 80 A C 2.148 179.834 177.584 0.170 0.000 1.181 80 A CA 1.637 53.780 52.037 0.176 0.000 0.620 80 A CB -0.864 18.207 19.000 0.119 0.000 0.819 80 A HN 0.738 nan 8.150 nan 0.000 0.442 81 H N 0.223 119.324 119.070 0.052 0.000 2.261 81 H HA -0.081 4.475 4.556 0.000 0.000 0.301 81 H C 2.410 177.743 175.328 0.008 0.000 1.067 81 H CA 1.886 57.954 56.048 0.033 0.000 1.297 81 H CB -0.457 29.311 29.762 0.011 0.000 1.377 81 H HN 0.372 nan 8.280 nan 0.000 0.492 82 A N 1.543 124.445 122.820 0.137 0.000 1.881 82 A HA -0.304 4.017 4.320 0.000 0.000 0.219 82 A C 2.648 180.167 177.584 -0.108 0.000 1.215 82 A CA 2.529 54.589 52.037 0.039 0.000 0.648 82 A CB -0.955 18.065 19.000 0.033 0.000 0.832 82 A HN 0.546 nan 8.150 nan 0.000 0.455 83 R N -2.312 118.089 120.500 -0.165 0.000 2.066 83 R HA -0.112 4.228 4.340 0.000 0.000 0.232 83 R C 1.700 177.664 176.300 -0.559 0.000 1.131 83 R CA 1.946 57.806 56.100 -0.401 0.000 0.955 83 R CB -0.266 29.705 30.300 -0.549 0.000 0.851 83 R HN 0.648 nan 8.270 nan 0.000 0.432 84 Y N 0.076 120.318 120.300 -0.098 0.000 2.458 84 Y HA 0.266 4.816 4.550 0.000 0.000 0.254 84 Y C 0.071 175.878 175.900 -0.156 0.000 1.120 84 Y CA -0.474 57.563 58.100 -0.104 0.000 1.282 84 Y CB 0.738 39.151 38.460 -0.079 0.000 1.109 84 Y HN -0.166 nan 8.280 nan 0.000 0.526 85 K N 0.880 121.169 120.400 -0.185 0.000 3.311 85 K HA -0.166 4.154 4.320 0.000 0.000 0.270 85 K C -2.824 173.682 176.600 -0.157 0.000 0.927 85 K CA 0.321 56.414 56.287 -0.323 0.000 0.706 85 K CB -1.634 30.743 32.500 -0.204 0.000 1.418 85 K HN 0.347 nan 8.250 nan 0.000 0.459 86 P HA 0.087 nan 4.420 nan 0.000 0.274 86 P C 0.752 178.049 177.300 -0.005 0.000 1.237 86 P CA -0.204 62.881 63.100 -0.024 0.000 0.793 86 P CB 0.610 32.308 31.700 -0.003 0.000 0.977 87 Q N 0.234 120.036 119.800 0.002 0.000 2.224 87 Q HA 0.132 4.472 4.340 0.000 0.000 0.203 87 Q C 0.563 176.578 176.000 0.025 0.000 0.970 87 Q CA 1.012 56.824 55.803 0.015 0.000 0.865 87 Q CB -0.023 28.720 28.738 0.008 0.000 0.922 87 Q HN 0.619 nan 8.270 nan 0.000 0.445 88 A N -0.159 122.673 122.820 0.021 0.000 2.608 88 A HA 0.682 5.002 4.320 0.000 0.000 0.292 88 A C -1.472 176.119 177.584 0.013 0.000 1.066 88 A CA -0.785 51.264 52.037 0.021 0.000 0.676 88 A CB 1.229 20.233 19.000 0.006 0.000 1.277 88 A HN 0.068 nan 8.150 nan 0.000 0.413 89 M N 0.232 119.839 119.600 0.011 0.000 2.690 89 M HA 0.756 5.236 4.480 0.000 0.000 0.302 89 M C -0.172 176.116 176.300 -0.020 0.000 1.234 89 M CA -0.629 54.669 55.300 -0.003 0.000 0.853 89 M CB 2.451 35.062 32.600 0.018 0.000 1.748 89 M HN 1.174 nan 8.290 nan 0.000 0.469 90 A N 1.056 123.854 122.820 -0.036 0.000 2.454 90 A HA 0.932 5.252 4.320 0.000 0.000 0.302 90 A C -1.729 175.825 177.584 -0.050 0.000 1.079 90 A CA -0.790 51.224 52.037 -0.039 0.000 0.731 90 A CB 2.150 21.125 19.000 -0.041 0.000 1.299 90 A HN 0.659 nan 8.150 nan 0.000 0.413 91 V N 0.088 119.979 119.914 -0.039 0.000 2.851 91 V HA 0.860 4.980 4.120 0.000 0.000 0.307 91 V C -0.406 175.678 176.094 -0.016 0.000 1.129 91 V CA 0.574 62.850 62.300 -0.040 0.000 0.932 91 V CB 1.511 33.313 31.823 -0.034 0.000 1.024 91 V HN 2.364 nan 8.190 nan 0.000 0.426 92 A N 5.604 128.419 122.820 -0.008 0.000 2.493 92 A HA 0.897 5.217 4.320 0.000 0.000 0.300 92 A C -2.074 175.546 177.584 0.059 0.000 1.152 92 A CA -0.735 51.321 52.037 0.031 0.000 0.643 92 A CB 1.338 20.358 19.000 0.033 0.000 1.316 92 A HN 0.936 nan 8.150 nan 0.000 0.469 93 L N 0.788 122.062 121.223 0.086 0.000 2.334 93 L HA 0.534 4.874 4.340 0.000 0.000 0.276 93 L C 0.312 177.217 176.870 0.060 0.000 1.014 93 L CA -0.718 54.186 54.840 0.106 0.000 0.815 93 L CB 1.897 44.035 42.059 0.133 0.000 1.268 93 L HN 0.752 nan 8.230 nan 0.000 0.428 94 T N 0.140 114.696 114.554 0.004 0.000 2.856 94 T HA -0.032 4.318 4.350 0.000 0.000 0.306 94 T C 1.443 176.178 174.700 0.058 0.000 1.062 94 T CA -0.311 61.749 62.100 -0.065 0.000 1.083 94 T CB 0.836 69.635 68.868 -0.114 0.000 0.984 94 T HN 0.952 nan 8.240 nan 0.000 0.542 95 C N 1.083 120.425 119.300 0.071 0.000 2.385 95 C HA -0.182 4.278 4.460 0.000 0.000 0.275 95 C C 2.830 177.935 174.990 0.191 0.000 1.199 95 C CA 1.515 60.574 59.018 0.068 0.000 1.782 95 C CB -2.200 25.484 27.740 -0.094 0.000 2.068 95 C HN 1.031 nan 8.230 nan 0.000 0.471 96 T N -0.098 114.548 114.554 0.153 0.000 2.896 96 T HA 0.163 4.513 4.350 0.000 0.000 0.263 96 T C 1.990 176.793 174.700 0.173 0.000 1.050 96 T CA 1.630 63.842 62.100 0.187 0.000 1.140 96 T CB -0.672 68.311 68.868 0.192 0.000 0.877 96 T HN 0.828 nan 8.240 nan 0.000 0.457 97 A N 0.980 123.899 122.820 0.166 0.000 2.119 97 A HA 0.087 4.407 4.320 0.000 0.000 0.217 97 A C 2.226 179.859 177.584 0.082 0.000 1.153 97 A CA 1.148 53.226 52.037 0.068 0.000 0.692 97 A CB -0.679 18.313 19.000 -0.014 0.000 0.799 97 A HN 0.665 nan 8.150 nan 0.000 0.458 98 E N -0.240 120.040 120.200 0.133 0.000 2.268 98 E HA -0.076 4.274 4.350 0.000 0.000 0.195 98 E C 1.345 178.017 176.600 0.120 0.000 0.995 98 E CA 0.625 57.116 56.400 0.151 0.000 0.836 98 E CB -0.091 29.744 29.700 0.224 0.000 0.763 98 E HN 0.700 nan 8.360 nan 0.000 0.491 99 L N 0.683 121.971 121.223 0.107 0.000 2.558 99 L HA 0.034 4.374 4.340 0.000 0.000 0.225 99 L C 0.693 177.567 176.870 0.007 0.000 1.128 99 L CA -0.262 54.604 54.840 0.043 0.000 0.868 99 L CB 0.016 42.098 42.059 0.038 0.000 1.006 99 L HN 0.052 nan 8.230 nan 0.000 0.454 100 L N -0.576 120.647 121.223 -0.002 0.000 2.488 100 L HA 0.151 4.491 4.340 0.000 0.000 0.249 100 L C 1.460 178.331 176.870 0.001 0.000 1.151 100 L CA 0.507 55.323 54.840 -0.039 0.000 0.806 100 L CB 0.261 42.249 42.059 -0.119 0.000 1.261 100 L HN -0.017 nan 8.230 nan 0.000 0.484 101 Q N -0.366 119.433 119.800 -0.001 0.000 2.250 101 Q HA 0.048 4.388 4.340 0.000 0.000 0.200 101 Q C -0.560 175.465 176.000 0.041 0.000 0.941 101 Q CA 0.331 56.144 55.803 0.016 0.000 0.872 101 Q CB 0.046 28.787 28.738 0.004 0.000 0.965 101 Q HN 0.591 nan 8.270 nan 0.000 0.480 102 D N 2.518 122.960 120.400 0.071 0.000 2.487 102 D HA -0.029 4.611 4.640 0.000 0.000 0.243 102 D C -0.280 176.074 176.300 0.090 0.000 1.154 102 D CA 0.496 54.550 54.000 0.091 0.000 0.876 102 D CB 0.561 41.457 40.800 0.161 0.000 1.161 102 D HN -0.000 nan 8.370 nan 0.000 0.478 103 D N 2.653 123.082 120.400 0.048 0.000 2.317 103 D HA 0.135 4.775 4.640 0.000 0.000 0.234 103 D C -1.468 174.848 176.300 0.026 0.000 1.112 103 D CA -2.161 51.864 54.000 0.041 0.000 0.840 103 D CB 1.604 42.419 40.800 0.026 0.000 1.078 103 D HN 0.008 nan 8.370 nan 0.000 0.486 104 P HA -0.165 nan 4.420 nan 0.000 0.217 104 P C 1.145 178.445 177.300 0.000 0.000 1.150 104 P CA 0.683 63.791 63.100 0.013 0.000 0.832 104 P CB 0.366 32.085 31.700 0.032 0.000 0.787 105 N N 0.497 119.202 118.700 0.009 0.000 2.025 105 N HA -0.129 4.611 4.740 0.000 0.000 0.194 105 N C 2.174 177.682 175.510 -0.004 0.000 1.044 105 N CA 2.077 55.129 53.050 0.003 0.000 0.851 105 N CB -1.009 37.484 38.487 0.010 0.000 1.036 105 N HN 0.107 nan 8.380 nan 0.000 0.422 106 G N 1.156 109.955 108.800 -0.001 0.000 2.422 106 G HA2 -0.156 3.804 3.960 0.000 0.000 0.218 106 G HA3 -0.156 3.804 3.960 0.000 0.000 0.218 106 G C 1.797 176.689 174.900 -0.013 0.000 1.146 106 G CA 0.535 45.633 45.100 -0.005 0.000 0.769 106 G HN 0.349 nan 8.290 nan 0.000 0.547 107 I N 1.611 122.170 120.570 -0.019 0.000 2.353 107 I HA -0.137 4.033 4.170 0.000 0.000 0.248 107 I C 3.060 179.157 176.117 -0.034 0.000 1.119 107 I CA 1.390 62.671 61.300 -0.031 0.000 1.417 107 I CB -0.086 37.886 38.000 -0.048 0.000 1.078 107 I HN 0.322 nan 8.210 nan 0.000 0.421 108 S N 0.650 116.331 115.700 -0.031 0.000 2.414 108 S HA -0.041 4.429 4.470 0.000 0.000 0.227 108 S C 2.091 176.672 174.600 -0.031 0.000 1.022 108 S CA 0.298 58.478 58.200 -0.033 0.000 0.958 108 S CB -0.282 62.900 63.200 -0.029 0.000 0.797 108 S HN 0.350 nan 8.310 nan 0.000 0.493 109 R N 1.282 121.767 120.500 -0.024 0.000 2.090 109 R HA 0.174 4.514 4.340 0.000 0.000 0.228 109 R C 2.756 179.042 176.300 -0.024 0.000 1.110 109 R CA 1.074 57.160 56.100 -0.022 0.000 0.973 109 R CB -0.737 29.554 30.300 -0.015 0.000 0.869 109 R HN 0.546 nan 8.270 nan 0.000 0.440 110 A N 1.512 124.318 122.820 -0.023 0.000 1.873 110 A HA -0.195 4.125 4.320 0.000 0.000 0.218 110 A C 2.125 179.692 177.584 -0.029 0.000 1.193 110 A CA 1.230 53.253 52.037 -0.023 0.000 0.629 110 A CB -0.724 18.263 19.000 -0.021 0.000 0.826 110 A HN 0.274 nan 8.150 nan 0.000 0.447 111 L N -1.365 119.837 121.223 -0.036 0.000 2.083 111 L HA -0.174 4.166 4.340 0.000 0.000 0.209 111 L C 0.576 177.412 176.870 -0.056 0.000 1.083 111 L CA 1.369 56.182 54.840 -0.045 0.000 0.752 111 L CB -0.590 41.438 42.059 -0.050 0.000 0.899 111 L HN 0.676 nan 8.230 nan 0.000 0.433 112 N N 0.233 118.900 118.700 -0.054 0.000 2.586 112 N HA -0.208 4.532 4.740 0.000 0.000 0.282 112 N C -1.091 174.366 175.510 -0.087 0.000 1.171 112 N CA 0.238 53.253 53.050 -0.057 0.000 0.733 112 N CB -0.696 37.765 38.487 -0.043 0.000 0.910 112 N HN 0.139 nan 8.380 nan 0.000 0.548 113 L N 2.720 123.874 121.223 -0.115 0.000 2.400 113 L HA 0.587 4.927 4.340 0.000 0.000 0.264 113 L C -0.902 175.880 176.870 -0.147 0.000 1.061 113 L CA -1.618 53.100 54.840 -0.204 0.000 0.799 113 L CB 0.363 42.230 42.059 -0.320 0.000 1.240 113 L HN 0.174 nan 8.230 nan 0.000 0.461 114 P HA 0.050 nan 4.420 nan 0.000 0.252 114 P C -0.754 176.559 177.300 0.021 0.000 1.265 114 P CA 0.377 63.454 63.100 -0.039 0.000 0.775 114 P CB -0.067 31.638 31.700 0.008 0.000 1.128 115 V N -5.563 114.362 119.914 0.018 0.000 3.159 115 V HA 0.698 4.818 4.120 0.000 0.000 0.308 115 V C -3.047 173.058 176.094 0.018 0.000 1.190 115 V CA -3.143 59.185 62.300 0.047 0.000 1.037 115 V CB 1.371 33.259 31.823 0.108 0.000 1.060 115 V HN -0.348 nan 8.190 nan 0.000 0.437 116 P HA 0.425 nan 4.420 nan 0.000 0.271 116 P C -0.893 176.407 177.300 -0.000 0.000 1.218 116 P CA -0.118 62.982 63.100 -0.001 0.000 0.780 116 P CB 0.887 32.584 31.700 -0.005 0.000 0.901 117 V N 3.375 123.282 119.914 -0.010 0.000 2.380 117 V HA 0.159 4.279 4.120 0.000 0.000 0.286 117 V C -0.078 176.005 176.094 -0.018 0.000 1.015 117 V CA -0.725 61.567 62.300 -0.013 0.000 0.834 117 V CB 1.762 33.575 31.823 -0.017 0.000 1.009 117 V HN 0.233 nan 8.190 nan 0.000 0.428 118 V N 7.613 127.513 119.914 -0.022 0.000 2.408 118 V HA 0.319 4.439 4.120 0.000 0.000 0.267 118 V C -1.821 174.260 176.094 -0.022 0.000 1.047 118 V CA -1.605 60.680 62.300 -0.026 0.000 0.937 118 V CB 1.141 32.942 31.823 -0.036 0.000 0.999 118 V HN 0.661 nan 8.190 nan 0.000 0.472 119 P HA 0.417 nan 4.420 nan 0.000 0.278 119 P C -1.091 176.207 177.300 -0.002 0.000 1.238 119 P CA -0.274 62.823 63.100 -0.006 0.000 0.794 119 P CB 1.244 32.945 31.700 0.001 0.000 0.955 120 L N 1.426 122.655 121.223 0.010 0.000 2.381 120 L HA 0.490 4.830 4.340 0.000 0.000 0.268 120 L C 0.294 177.193 176.870 0.047 0.000 0.997 120 L CA -0.835 54.016 54.840 0.018 0.000 0.818 120 L CB 2.077 44.142 42.059 0.010 0.000 1.310 120 L HN 0.229 nan 8.230 nan 0.000 0.416 121 E N 3.557 123.795 120.200 0.064 0.000 2.115 121 E HA 0.491 4.841 4.350 0.000 0.000 0.282 121 E C -1.118 175.573 176.600 0.151 0.000 0.987 121 E CA -0.165 56.296 56.400 0.102 0.000 0.797 121 E CB 1.290 31.053 29.700 0.106 0.000 1.086 121 E HN 0.383 nan 8.360 nan 0.000 0.397 122 L N 5.804 127.120 121.223 0.154 0.000 2.384 122 L HA 0.355 4.696 4.340 0.000 0.000 0.261 122 L C -2.320 174.657 176.870 0.178 0.000 1.024 122 L CA -2.173 52.782 54.840 0.191 0.000 0.899 122 L CB 1.192 43.346 42.059 0.159 0.000 1.243 122 L HN 0.276 nan 8.230 nan 0.000 0.449 123 P HA 0.071 nan 4.420 nan 0.000 0.263 123 P C 0.740 178.099 177.300 0.099 0.000 1.601 123 P CA 0.165 63.342 63.100 0.128 0.000 1.161 123 P CB 0.948 32.684 31.700 0.060 0.000 1.730 124 S N 1.438 117.189 115.700 0.085 0.000 2.561 124 S HA -0.050 4.420 4.470 0.000 0.000 0.225 124 S C 0.618 175.038 174.600 -0.300 0.000 0.977 124 S CA 0.631 58.785 58.200 -0.077 0.000 0.926 124 S CB -0.496 62.636 63.200 -0.112 0.000 0.769 124 S HN 0.309 nan 8.310 nan 0.000 0.533 125 Y N 0.470 120.801 120.300 0.050 0.000 2.481 125 Y HA 0.290 4.840 4.550 0.000 0.000 0.247 125 Y C 2.086 177.998 175.900 0.019 0.000 1.151 125 Y CA 0.244 58.365 58.100 0.035 0.000 1.238 125 Y CB 0.571 39.050 38.460 0.031 0.000 1.179 125 Y HN 0.437 nan 8.280 nan 0.000 0.524 126 S N -1.788 113.970 115.700 0.097 0.000 2.653 126 S HA 0.365 4.835 4.470 0.000 0.000 0.259 126 S C 0.451 175.035 174.600 -0.026 0.000 1.076 126 S CA -0.454 57.767 58.200 0.035 0.000 1.051 126 S CB 0.674 63.885 63.200 0.018 0.000 0.994 126 S HN -0.104 nan 8.310 nan 0.000 0.552 127 R N 1.232 121.710 120.500 -0.037 0.000 2.939 127 R HA 0.709 5.049 4.340 0.000 0.000 0.254 127 R C -0.557 175.772 176.300 0.048 0.000 1.123 127 R CA -0.617 55.453 56.100 -0.050 0.000 1.020 127 R CB 0.795 30.952 30.300 -0.239 0.000 1.206 127 R HN 0.257 nan 8.270 nan 0.000 0.491 128 K N 0.203 120.669 120.400 0.109 0.000 2.149 128 K HA 0.278 4.598 4.320 0.000 0.000 0.241 128 K C 0.892 177.567 176.600 0.124 0.000 1.083 128 K CA -0.886 55.457 56.287 0.092 0.000 0.885 128 K CB 1.222 33.769 32.500 0.078 0.000 1.374 128 K HN 0.541 nan 8.250 nan 0.000 0.511 129 E N 1.127 121.364 120.200 0.062 0.000 2.068 129 E HA -0.295 4.055 4.350 0.000 0.000 0.207 129 E C 1.355 178.003 176.600 0.079 0.000 1.032 129 E CA 1.941 58.365 56.400 0.039 0.000 0.839 129 E CB -0.032 29.665 29.700 -0.005 0.000 0.758 129 E HN 0.384 nan 8.360 nan 0.000 0.457 130 N N -0.306 118.462 118.700 0.113 0.000 2.104 130 N HA -0.204 4.536 4.740 0.000 0.000 0.190 130 N C 1.798 177.380 175.510 0.121 0.000 1.024 130 N CA 1.269 54.389 53.050 0.117 0.000 0.853 130 N CB -0.693 37.877 38.487 0.139 0.000 1.008 130 N HN 0.308 nan 8.380 nan 0.000 0.424 131 Y N 1.893 122.232 120.300 0.065 0.000 2.040 131 Y HA -0.227 4.323 4.550 0.000 0.000 0.275 131 Y C 2.508 178.445 175.900 0.062 0.000 1.171 131 Y CA 2.039 60.177 58.100 0.063 0.000 1.123 131 Y CB -0.943 37.551 38.460 0.057 0.000 0.963 131 Y HN 0.061 nan 8.280 nan 0.000 0.493 132 G N -0.452 108.364 108.800 0.027 0.000 2.505 132 G HA2 -0.347 3.613 3.960 0.000 0.000 0.220 132 G HA3 -0.347 3.613 3.960 0.000 0.000 0.220 132 G C 1.784 176.636 174.900 -0.081 0.000 1.145 132 G CA 1.492 46.570 45.100 -0.036 0.000 0.761 132 G HN 0.681 nan 8.290 nan 0.000 0.571 133 A N 0.503 123.303 122.820 -0.033 0.000 1.872 133 A HA 0.034 4.354 4.320 0.000 0.000 0.214 133 A C 2.090 179.681 177.584 0.012 0.000 1.187 133 A CA 2.024 54.063 52.037 0.003 0.000 0.614 133 A CB -0.491 18.526 19.000 0.029 0.000 0.826 133 A HN 0.344 nan 8.150 nan 0.000 0.442 134 D N -0.523 119.858 120.400 -0.032 0.000 2.117 134 D HA -0.184 4.457 4.640 0.000 0.000 0.197 134 D C 1.944 178.188 176.300 -0.093 0.000 0.987 134 D CA 1.670 55.662 54.000 -0.014 0.000 0.829 134 D CB -0.053 40.724 40.800 -0.039 0.000 0.961 134 D HN 0.438 nan 8.370 nan 0.000 0.460 135 E N -0.540 119.483 120.200 -0.295 0.000 2.046 135 E HA -0.094 4.256 4.350 0.000 0.000 0.190 135 E C 1.968 178.485 176.600 -0.139 0.000 0.982 135 E CA 1.832 58.050 56.400 -0.303 0.000 0.800 135 E CB -0.671 28.685 29.700 -0.572 0.000 0.756 135 E HN 0.206 nan 8.360 nan 0.000 0.449 136 T N 0.706 115.209 114.554 -0.086 0.000 2.652 136 T HA -0.154 4.196 4.350 0.000 0.000 0.267 136 T C 1.509 176.232 174.700 0.037 0.000 1.039 136 T CA 1.431 63.519 62.100 -0.020 0.000 1.153 136 T CB -0.665 68.206 68.868 0.005 0.000 0.863 136 T HN 0.222 nan 8.240 nan 0.000 0.428 137 F N 2.459 122.359 119.950 -0.084 0.000 2.095 137 F HA -0.073 4.454 4.527 0.000 0.000 0.298 137 F C 2.529 178.275 175.800 -0.091 0.000 1.104 137 F CA 1.178 59.136 58.000 -0.071 0.000 1.232 137 F CB -0.440 38.532 39.000 -0.047 0.000 0.987 137 F HN -0.064 nan 8.300 nan 0.000 0.475 138 R N 0.390 120.770 120.500 -0.199 0.000 2.097 138 R HA -0.226 4.114 4.340 0.000 0.000 0.236 138 R C 2.405 178.512 176.300 -0.321 0.000 1.135 138 R CA 1.753 57.671 56.100 -0.302 0.000 0.934 138 R CB -0.982 29.219 30.300 -0.166 0.000 0.846 138 R HN 0.370 nan 8.270 nan 0.000 0.431 139 A N 1.366 124.064 122.820 -0.203 0.000 1.869 139 A HA -0.226 4.094 4.320 0.000 0.000 0.218 139 A C 2.121 179.594 177.584 -0.185 0.000 1.203 139 A CA 1.610 53.547 52.037 -0.166 0.000 0.638 139 A CB -0.808 18.135 19.000 -0.096 0.000 0.831 139 A HN 0.320 nan 8.150 nan 0.000 0.450 140 L N -0.513 120.615 121.223 -0.159 0.000 2.043 140 L HA -0.172 4.168 4.340 0.000 0.000 0.212 140 L C 2.690 179.429 176.870 -0.219 0.000 1.075 140 L CA 1.606 56.364 54.840 -0.138 0.000 0.752 140 L CB -1.264 40.763 42.059 -0.052 0.000 0.891 140 L HN 0.236 nan 8.230 nan 0.000 0.432 141 V N -0.187 119.497 119.914 -0.384 0.000 2.261 141 V HA -0.305 3.815 4.120 0.000 0.000 0.246 141 V C 2.768 178.613 176.094 -0.415 0.000 1.047 141 V CA 1.947 63.987 62.300 -0.433 0.000 1.015 141 V CB -0.617 30.811 31.823 -0.659 0.000 0.642 141 V HN 0.525 nan 8.190 nan 0.000 0.446 142 R N 0.940 121.082 120.500 -0.597 0.000 2.119 142 R HA -0.212 4.128 4.340 0.000 0.000 0.246 142 R C 2.001 178.151 176.300 -0.251 0.000 1.146 142 R CA 2.124 57.833 56.100 -0.651 0.000 0.962 142 R CB -0.532 29.446 30.300 -0.536 0.000 0.863 142 R HN 0.458 nan 8.270 nan 0.000 0.442 143 A N -0.127 122.579 122.820 -0.190 0.000 2.168 143 A HA 0.080 4.400 4.320 0.000 0.000 0.215 143 A C 1.663 179.204 177.584 -0.072 0.000 1.152 143 A CA 0.854 52.830 52.037 -0.102 0.000 0.716 143 A CB 0.113 19.062 19.000 -0.085 0.000 0.794 143 A HN 0.438 nan 8.150 nan 0.000 0.465 144 L N -2.812 118.360 121.223 -0.085 0.000 3.316 144 L HA 0.308 4.648 4.340 0.000 0.000 0.300 144 L C 0.928 177.778 176.870 -0.033 0.000 1.128 144 L CA 0.170 54.980 54.840 -0.050 0.000 1.111 144 L CB 0.293 42.322 42.059 -0.049 0.000 1.687 144 L HN 0.169 nan 8.230 nan 0.000 0.594 145 A N 1.844 124.637 122.820 -0.044 0.000 2.354 145 A HA 0.542 4.862 4.320 0.000 0.000 0.281 145 A C -0.101 177.499 177.584 0.026 0.000 1.174 145 A CA -0.217 51.816 52.037 -0.007 0.000 0.828 145 A CB 0.044 19.042 19.000 -0.003 0.000 1.099 145 A HN 0.068 nan 8.150 nan 0.000 0.516 146 V N 0.941 120.868 119.914 0.021 0.000 2.667 146 V HA 0.680 4.800 4.120 0.000 0.000 0.308 146 V C -2.764 173.344 176.094 0.023 0.000 1.048 146 V CA -2.754 59.560 62.300 0.024 0.000 0.928 146 V CB 1.126 32.958 31.823 0.015 0.000 1.004 146 V HN 0.660 nan 8.190 nan 0.000 0.444 147 P HA 0.326 nan 4.420 nan 0.000 0.266 147 P C -0.574 176.734 177.300 0.012 0.000 1.195 147 P CA 0.268 63.376 63.100 0.014 0.000 0.768 147 P CB 0.336 32.040 31.700 0.007 0.000 0.838 148 M N 0.654 120.261 119.600 0.012 0.000 2.644 148 M HA 0.212 4.692 4.480 0.000 0.000 0.273 148 M C -0.678 175.627 176.300 0.008 0.000 1.253 148 M CA -0.851 54.456 55.300 0.013 0.000 0.852 148 M CB 2.478 35.089 32.600 0.019 0.000 1.708 148 M HN 0.264 nan 8.290 nan 0.000 0.471 149 E N 2.006 122.212 120.200 0.008 0.000 2.290 149 E HA 0.205 4.555 4.350 0.000 0.000 0.277 149 E C -0.834 175.772 176.600 0.010 0.000 1.035 149 E CA -0.447 55.955 56.400 0.003 0.000 0.873 149 E CB 0.828 30.531 29.700 0.006 0.000 1.029 149 E HN 0.369 nan 8.360 nan 0.000 0.419 150 R N 2.725 123.215 120.500 -0.017 0.000 2.538 150 R HA 0.021 4.361 4.340 0.000 0.000 0.282 150 R C -0.178 176.166 176.300 0.072 0.000 1.009 150 R CA 0.397 56.483 56.100 -0.024 0.000 1.063 150 R CB 0.185 30.341 30.300 -0.239 0.000 0.945 150 R HN 0.645 nan 8.270 nan 0.000 0.414 151 T N 2.566 117.233 114.554 0.189 0.000 2.906 151 T HA 0.048 4.398 4.350 0.000 0.000 0.320 151 T C -1.334 173.494 174.700 0.212 0.000 1.088 151 T CA -1.155 61.048 62.100 0.171 0.000 1.120 151 T CB 0.588 69.533 68.868 0.128 0.000 1.000 151 T HN 0.417 nan 8.240 nan 0.000 0.550 152 P HA -0.077 nan 4.420 nan 0.000 0.215 152 P C 0.470 177.840 177.300 0.115 0.000 1.157 152 P CA 1.126 64.287 63.100 0.100 0.000 0.868 152 P CB 0.060 31.794 31.700 0.057 0.000 0.788 153 E N 0.310 120.550 120.200 0.067 0.000 2.404 153 E HA 0.121 4.471 4.350 0.000 0.000 0.261 153 E C 0.041 176.581 176.600 -0.100 0.000 1.074 153 E CA -0.370 56.035 56.400 0.007 0.000 0.917 153 E CB 0.547 30.236 29.700 -0.017 0.000 0.965 153 E HN -0.069 nan 8.360 nan 0.000 0.433 154 V N 2.089 121.891 119.914 -0.186 0.000 2.446 154 V HA 0.171 4.291 4.120 0.000 0.000 0.276 154 V C 0.694 176.556 176.094 -0.386 0.000 1.030 154 V CA -0.054 61.948 62.300 -0.498 0.000 1.033 154 V CB -0.178 31.535 31.823 -0.185 0.000 0.993 154 V HN 0.770 nan 8.190 nan 0.000 0.477 155 T N 1.837 116.068 114.554 -0.538 0.000 2.903 155 T HA 0.749 5.099 4.350 0.000 0.000 0.299 155 T C -0.445 174.121 174.700 -0.223 0.000 1.093 155 T CA -0.554 61.406 62.100 -0.233 0.000 1.002 155 T CB 1.746 70.539 68.868 -0.125 0.000 1.127 155 T HN 1.120 nan 8.240 nan 0.000 0.488 156 C N 0.943 120.064 119.300 -0.298 0.000 3.044 156 C HA 0.824 5.284 4.460 0.000 0.000 0.315 156 C C -0.634 174.174 174.990 -0.303 0.000 1.320 156 C CA -1.028 57.664 59.018 -0.543 0.000 1.582 156 C CB 0.327 27.310 27.740 -1.263 0.000 2.039 156 C HN 1.076 nan 8.230 nan 0.000 0.466 157 N N 0.254 118.791 118.700 -0.271 0.000 2.405 157 N HA 0.641 5.381 4.740 0.000 0.000 0.299 157 N C -1.119 174.332 175.510 -0.098 0.000 1.075 157 N CA -0.530 52.450 53.050 -0.118 0.000 0.884 157 N CB 1.261 39.728 38.487 -0.034 0.000 1.194 157 N HN 0.585 nan 8.380 nan 0.000 0.491 158 L N 2.848 124.042 121.223 -0.049 0.000 2.264 158 L HA 0.422 4.762 4.340 0.000 0.000 0.289 158 L C -1.046 175.821 176.870 -0.004 0.000 1.044 158 L CA -0.658 54.162 54.840 -0.033 0.000 0.807 158 L CB 0.658 42.694 42.059 -0.040 0.000 1.192 158 L HN 0.303 nan 8.230 nan 0.000 0.425 159 L N 2.928 124.157 121.223 0.010 0.000 2.343 159 L HA 0.647 4.987 4.340 0.000 0.000 0.278 159 L C 0.536 177.403 176.870 -0.005 0.000 0.996 159 L CA 0.201 55.071 54.840 0.049 0.000 0.831 159 L CB 1.509 43.651 42.059 0.138 0.000 1.232 159 L HN 0.783 nan 8.230 nan 0.000 0.413 160 G N 2.836 111.548 108.800 -0.146 0.000 2.229 160 G HA2 -0.083 3.877 3.960 0.000 0.000 0.189 160 G HA3 -0.083 3.877 3.960 0.000 0.000 0.189 160 G C 0.353 175.261 174.900 0.014 0.000 1.000 160 G CA -0.183 44.868 45.100 -0.081 0.000 0.663 160 G HN 0.947 nan 8.290 nan 0.000 0.493 161 A N 1.337 124.156 122.820 -0.002 0.000 2.484 161 A HA 0.646 4.966 4.320 0.000 0.000 0.268 161 A C 0.976 178.618 177.584 0.097 0.000 1.114 161 A CA 1.567 53.647 52.037 0.071 0.000 0.780 161 A CB -0.107 18.928 19.000 0.058 0.000 1.061 161 A HN 1.638 nan 8.150 nan 0.000 0.505 162 T N -0.721 114.015 114.554 0.303 0.000 2.718 162 T HA 0.732 5.082 4.350 0.000 0.000 0.267 162 T C 1.247 175.989 174.700 0.069 0.000 0.957 162 T CA 0.003 62.155 62.100 0.087 0.000 1.025 162 T CB 1.036 69.921 68.868 0.028 0.000 1.355 162 T HN 0.906 nan 8.240 nan 0.000 0.572 163 A N 0.083 122.946 122.820 0.072 0.000 1.831 163 A HA 0.359 4.679 4.320 0.000 0.000 0.213 163 A C 1.791 179.428 177.584 0.087 0.000 1.223 163 A CA 0.567 52.690 52.037 0.142 0.000 0.604 163 A CB -1.163 18.028 19.000 0.318 0.000 0.878 163 A HN 0.697 nan 8.150 nan 0.000 0.450 164 L N 1.421 122.649 121.223 0.009 0.000 2.955 164 L HA 0.221 4.561 4.340 0.000 0.000 0.238 164 L C 0.846 177.714 176.870 -0.003 0.000 1.359 164 L CA -0.550 54.246 54.840 -0.075 0.000 1.214 164 L CB -0.658 41.222 42.059 -0.299 0.000 1.600 164 L HN 0.392 nan 8.230 nan 0.000 0.442 165 G N -0.465 108.159 108.800 -0.293 0.000 2.370 165 G HA2 0.144 4.104 3.960 0.000 0.000 0.272 165 G HA3 0.144 4.104 3.960 0.000 0.000 0.272 165 G C -0.726 173.828 174.900 -0.577 0.000 1.208 165 G CA -0.413 43.969 45.100 -1.197 0.000 0.856 165 G HN 0.138 nan 8.290 nan 0.000 0.500 166 F N 4.353 124.022 119.950 -0.469 0.000 2.487 166 F HA 0.284 4.811 4.527 0.000 0.000 0.364 166 F C 1.300 177.009 175.800 -0.151 0.000 1.126 166 F CA -0.735 57.057 58.000 -0.347 0.000 1.135 166 F CB 0.281 39.150 39.000 -0.217 0.000 1.127 166 F HN 0.560 nan 8.300 nan 0.000 0.559 167 R N 3.393 123.390 120.500 -0.837 0.000 3.875 167 R HA -0.280 4.060 4.340 0.000 0.000 0.321 167 R C 0.825 177.073 176.300 -0.086 0.000 1.196 167 R CA 1.162 56.925 56.100 -0.561 0.000 0.868 167 R CB -2.911 26.965 30.300 -0.707 0.000 1.333 167 R HN 0.784 nan 8.270 nan 0.000 0.522 168 H N 0.580 119.521 119.070 -0.215 0.000 2.321 168 H HA -0.016 4.540 4.556 0.000 0.000 0.300 168 H C 2.169 177.480 175.328 -0.028 0.000 1.087 168 H CA 1.940 57.962 56.048 -0.043 0.000 1.319 168 H CB -0.091 29.617 29.762 -0.090 0.000 1.379 168 H HN 0.391 nan 8.280 nan 0.000 0.501 169 R N 0.676 121.214 120.500 0.064 0.000 2.097 169 R HA -0.160 4.180 4.340 0.000 0.000 0.236 169 R C 1.121 177.427 176.300 0.009 0.000 1.135 169 R CA 2.261 58.383 56.100 0.038 0.000 0.934 169 R CB -0.100 30.214 30.300 0.024 0.000 0.846 169 R HN 0.342 nan 8.270 nan 0.000 0.431 170 D N 0.032 120.387 120.400 -0.076 0.000 2.249 170 D HA -0.079 4.561 4.640 0.000 0.000 0.205 170 D C 1.368 177.576 176.300 -0.153 0.000 0.962 170 D CA 0.651 54.563 54.000 -0.147 0.000 0.860 170 D CB -0.228 40.313 40.800 -0.431 0.000 0.955 170 D HN 0.281 nan 8.370 nan 0.000 0.505 171 D N 0.632 120.963 120.400 -0.115 0.000 2.097 171 D HA -0.103 4.537 4.640 0.000 0.000 0.195 171 D C 2.338 178.592 176.300 -0.077 0.000 0.989 171 D CA 0.474 54.414 54.000 -0.100 0.000 0.827 171 D CB -0.143 40.640 40.800 -0.028 0.000 0.966 171 D HN 0.023 nan 8.370 nan 0.000 0.456 172 V N 1.502 121.401 119.914 -0.025 0.000 2.332 172 V HA -0.280 3.840 4.120 0.000 0.000 0.248 172 V C 2.540 178.634 176.094 0.000 0.000 1.055 172 V CA 1.918 64.207 62.300 -0.017 0.000 1.038 172 V CB -0.859 30.973 31.823 0.015 0.000 0.651 172 V HN 0.190 nan 8.190 nan 0.000 0.450 173 A N -0.189 122.655 122.820 0.040 0.000 1.877 173 A HA -0.279 4.041 4.320 0.000 0.000 0.216 173 A C 2.222 179.854 177.584 0.080 0.000 1.186 173 A CA 2.203 54.293 52.037 0.089 0.000 0.620 173 A CB -0.505 18.622 19.000 0.211 0.000 0.822 173 A HN 0.581 nan 8.150 nan 0.000 0.443 174 E N -0.534 119.703 120.200 0.063 0.000 2.072 174 E HA -0.082 4.268 4.350 0.000 0.000 0.190 174 E C 1.802 178.372 176.600 -0.051 0.000 0.982 174 E CA 1.254 57.672 56.400 0.030 0.000 0.803 174 E CB -0.278 29.403 29.700 -0.032 0.000 0.755 174 E HN 0.186 nan 8.360 nan 0.000 0.453 175 V N 0.303 120.163 119.914 -0.091 0.000 2.515 175 V HA -0.249 3.871 4.120 0.000 0.000 0.250 175 V C 2.163 178.244 176.094 -0.022 0.000 1.058 175 V CA 2.124 64.365 62.300 -0.100 0.000 1.064 175 V CB -0.581 31.140 31.823 -0.171 0.000 0.675 175 V HN 0.412 nan 8.190 nan 0.000 0.461 176 T N -0.477 114.069 114.554 -0.014 0.000 2.684 176 T HA -0.247 4.103 4.350 0.000 0.000 0.267 176 T C 1.941 176.645 174.700 0.006 0.000 1.036 176 T CA 1.734 63.834 62.100 0.000 0.000 1.148 176 T CB -0.183 68.685 68.868 0.000 0.000 0.863 176 T HN 0.459 nan 8.240 nan 0.000 0.436 177 K N 0.583 120.985 120.400 0.004 0.000 1.991 177 K HA -0.134 4.186 4.320 0.000 0.000 0.212 177 K C 2.169 178.771 176.600 0.004 0.000 1.049 177 K CA 1.590 57.880 56.287 0.004 0.000 0.932 177 K CB -0.502 32.002 32.500 0.008 0.000 0.717 177 K HN 0.300 nan 8.250 nan 0.000 0.441 178 L N -0.064 121.148 121.223 -0.018 0.000 2.191 178 L HA -0.079 4.262 4.340 0.000 0.000 0.212 178 L C 1.878 178.773 176.870 0.041 0.000 1.103 178 L CA 1.517 56.346 54.840 -0.018 0.000 0.769 178 L CB -0.965 41.021 42.059 -0.122 0.000 0.908 178 L HN 0.061 nan 8.230 nan 0.000 0.438 179 L N 0.193 121.455 121.223 0.065 0.000 2.072 179 L HA -0.049 4.291 4.340 0.000 0.000 0.205 179 L C 2.876 179.772 176.870 0.043 0.000 1.079 179 L CA 1.098 55.984 54.840 0.078 0.000 0.752 179 L CB -0.764 41.350 42.059 0.092 0.000 0.906 179 L HN 0.404 nan 8.230 nan 0.000 0.436 180 A N -0.453 122.383 122.820 0.027 0.000 1.902 180 A HA -0.193 4.127 4.320 0.000 0.000 0.217 180 A C 2.260 179.855 177.584 0.019 0.000 1.181 180 A CA 2.170 54.217 52.037 0.016 0.000 0.623 180 A CB -0.953 18.052 19.000 0.009 0.000 0.818 180 A HN 0.377 nan 8.150 nan 0.000 0.443 181 T N -0.694 113.876 114.554 0.025 0.000 2.996 181 T HA -0.073 4.277 4.350 0.000 0.000 0.271 181 T C 1.233 175.952 174.700 0.032 0.000 1.126 181 T CA 1.505 63.625 62.100 0.033 0.000 1.103 181 T CB -0.223 68.673 68.868 0.047 0.000 0.870 181 T HN 0.438 nan 8.240 nan 0.000 0.528 182 M N -0.167 119.450 119.600 0.028 0.000 2.596 182 M HA 0.326 4.806 4.480 0.000 0.000 0.364 182 M C 1.277 177.586 176.300 0.015 0.000 1.158 182 M CA 0.066 55.379 55.300 0.022 0.000 0.940 182 M CB 0.647 33.260 32.600 0.022 0.000 1.388 182 M HN 0.396 nan 8.290 nan 0.000 0.522 183 G N 1.366 110.174 108.800 0.013 0.000 2.234 183 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 183 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 183 G C 0.129 175.031 174.900 0.003 0.000 0.987 183 G CA 0.040 45.144 45.100 0.006 0.000 0.625 183 G HN 0.503 nan 8.290 nan 0.000 0.532 184 I N 0.785 121.365 120.570 0.017 0.000 2.395 184 I HA 0.419 4.589 4.170 0.000 0.000 0.289 184 I C 0.479 176.594 176.117 -0.004 0.000 1.023 184 I CA -0.284 61.027 61.300 0.017 0.000 1.350 184 I CB 1.274 39.325 38.000 0.085 0.000 1.409 184 I HN -0.049 nan 8.210 nan 0.000 0.507 185 K N 4.704 125.085 120.400 -0.032 0.000 2.164 185 K HA 0.476 4.796 4.320 0.000 0.000 0.258 185 K C -0.753 175.814 176.600 -0.055 0.000 0.951 185 K CA -0.747 55.520 56.287 -0.034 0.000 0.844 185 K CB 2.332 34.814 32.500 -0.031 0.000 1.099 185 K HN 0.513 nan 8.250 nan 0.000 0.435 186 V N 1.198 121.085 119.914 -0.045 0.000 2.470 186 V HA 0.085 4.205 4.120 0.000 0.000 0.276 186 V C 0.905 176.970 176.094 -0.048 0.000 1.040 186 V CA -0.581 61.684 62.300 -0.058 0.000 1.008 186 V CB 0.915 32.712 31.823 -0.043 0.000 0.990 186 V HN 0.786 nan 8.190 nan 0.000 0.477 187 N N 4.510 123.174 118.700 -0.060 0.000 2.054 187 N HA -0.067 4.673 4.740 0.000 0.000 0.193 187 N C 0.492 175.992 175.510 -0.017 0.000 1.066 187 N CA 1.970 55.000 53.050 -0.033 0.000 0.853 187 N CB 0.095 38.563 38.487 -0.032 0.000 1.048 187 N HN 0.978 nan 8.380 nan 0.000 0.431 188 V N -1.955 117.951 119.914 -0.013 0.000 2.962 188 V HA 0.539 4.660 4.120 0.000 0.000 0.313 188 V C -1.162 174.934 176.094 0.003 0.000 1.099 188 V CA -1.148 61.154 62.300 0.003 0.000 0.971 188 V CB 1.262 33.099 31.823 0.022 0.000 1.028 188 V HN 0.407 nan 8.190 nan 0.000 0.430 189 C N 5.329 124.633 119.300 0.006 0.000 2.319 189 C HA 0.977 5.437 4.460 0.000 0.000 0.323 189 C C 0.243 175.233 174.990 0.001 0.000 1.277 189 C CA 0.610 59.627 59.018 -0.001 0.000 1.517 189 C CB -0.270 27.465 27.740 -0.009 0.000 2.206 189 C HN 1.800 nan 8.230 nan 0.000 0.486 190 A N 6.694 129.505 122.820 -0.015 0.000 2.515 190 A HA 0.809 5.129 4.320 0.000 0.000 0.298 190 A C -2.472 174.842 177.584 -0.450 0.000 1.059 190 A CA -1.038 50.960 52.037 -0.066 0.000 0.698 190 A CB 1.356 20.474 19.000 0.197 0.000 1.289 190 A HN 0.497 nan 8.150 nan 0.000 0.404 191 P HA -0.043 nan 4.420 nan 0.000 0.220 191 P C 0.520 177.755 177.300 -0.108 0.000 1.148 191 P CA 0.441 63.368 63.100 -0.289 0.000 0.803 191 P CB 0.044 31.562 31.700 -0.304 0.000 0.782 192 L N 0.083 121.252 121.223 -0.090 0.000 2.530 192 L HA 0.338 4.678 4.340 0.000 0.000 0.273 192 L C 1.298 178.164 176.870 -0.006 0.000 1.141 192 L CA 1.125 55.953 54.840 -0.019 0.000 0.905 192 L CB -1.070 41.005 42.059 0.025 0.000 1.202 192 L HN 0.347 nan 8.230 nan 0.000 0.473 193 G N 2.925 111.724 108.800 -0.001 0.000 2.234 193 G HA2 -0.187 3.773 3.960 0.000 0.000 0.235 193 G HA3 -0.187 3.773 3.960 0.000 0.000 0.235 193 G C 0.392 175.295 174.900 0.004 0.000 0.997 193 G CA 0.069 45.171 45.100 0.003 0.000 0.623 193 G HN 1.173 nan 8.290 nan 0.000 0.514 194 A N 0.343 123.167 122.820 0.007 0.000 2.322 194 A HA 0.819 5.139 4.320 0.000 0.000 0.269 194 A C 0.742 178.335 177.584 0.016 0.000 1.094 194 A CA 0.969 53.017 52.037 0.020 0.000 0.807 194 A CB 0.775 19.801 19.000 0.044 0.000 1.047 194 A HN 1.923 nan 8.150 nan 0.000 0.487 195 S N 1.177 116.887 115.700 0.016 0.000 2.681 195 S HA 0.603 5.073 4.470 0.000 0.000 0.299 195 S C -2.274 172.338 174.600 0.019 0.000 1.113 195 S CA -1.319 56.887 58.200 0.011 0.000 1.013 195 S CB 1.368 64.571 63.200 0.005 0.000 1.076 195 S HN 0.336 nan 8.310 nan 0.000 0.534 196 P HA -0.095 nan 4.420 nan 0.000 0.217 196 P C 0.508 177.815 177.300 0.012 0.000 1.148 196 P CA 1.264 64.372 63.100 0.013 0.000 0.828 196 P CB -0.052 31.652 31.700 0.006 0.000 0.783 197 D N -0.778 119.629 120.400 0.011 0.000 2.117 197 D HA -0.145 4.495 4.640 0.000 0.000 0.197 197 D C 1.566 177.874 176.300 0.014 0.000 0.987 197 D CA 1.048 55.055 54.000 0.011 0.000 0.829 197 D CB -0.754 40.051 40.800 0.010 0.000 0.961 197 D HN 0.229 nan 8.370 nan 0.000 0.460 198 D N 0.106 120.517 120.400 0.018 0.000 2.144 198 D HA -0.118 4.522 4.640 0.000 0.000 0.199 198 D C 2.124 178.442 176.300 0.030 0.000 0.984 198 D CA 0.385 54.399 54.000 0.023 0.000 0.834 198 D CB -0.041 40.775 40.800 0.026 0.000 0.955 198 D HN 0.146 nan 8.370 nan 0.000 0.465 199 L N 1.027 122.270 121.223 0.033 0.000 2.131 199 L HA -0.108 4.232 4.340 0.000 0.000 0.210 199 L C 2.419 179.294 176.870 0.008 0.000 1.092 199 L CA 1.268 56.126 54.840 0.030 0.000 0.759 199 L CB -0.383 41.691 42.059 0.025 0.000 0.903 199 L HN -0.083 nan 8.230 nan 0.000 0.435 200 R N -0.498 120.006 120.500 0.007 0.000 2.115 200 R HA -0.118 4.222 4.340 0.000 0.000 0.230 200 R C 1.557 177.864 176.300 0.011 0.000 1.111 200 R CA 0.948 57.051 56.100 0.005 0.000 0.976 200 R CB -0.206 30.098 30.300 0.006 0.000 0.870 200 R HN 0.302 nan 8.270 nan 0.000 0.445 201 K N 0.749 121.159 120.400 0.016 0.000 2.522 201 K HA 0.071 4.391 4.320 0.000 0.000 0.194 201 K C 1.443 178.057 176.600 0.024 0.000 1.026 201 K CA 0.040 56.339 56.287 0.019 0.000 1.119 201 K CB 0.198 32.709 32.500 0.019 0.000 0.856 201 K HN 0.144 nan 8.250 nan 0.000 0.513 202 L N -0.166 121.071 121.223 0.023 0.000 2.093 202 L HA -0.109 4.232 4.340 0.000 0.000 0.208 202 L C 2.414 179.303 176.870 0.033 0.000 1.085 202 L CA 1.270 56.127 54.840 0.028 0.000 0.755 202 L CB -0.584 41.489 42.059 0.023 0.000 0.904 202 L HN 0.361 nan 8.230 nan 0.000 0.435 203 G N 0.099 108.918 108.800 0.031 0.000 2.462 203 G HA2 -0.299 3.662 3.960 0.000 0.000 0.220 203 G HA3 -0.299 3.662 3.960 0.000 0.000 0.220 203 G C 1.398 176.324 174.900 0.042 0.000 1.121 203 G CA 0.837 45.958 45.100 0.035 0.000 0.758 203 G HN 0.635 nan 8.290 nan 0.000 0.559 204 Q N -0.048 119.779 119.800 0.046 0.000 2.444 204 Q HA 0.517 4.857 4.340 0.000 0.000 0.206 204 Q C 1.115 177.184 176.000 0.114 0.000 0.948 204 Q CA 0.328 56.168 55.803 0.062 0.000 0.946 204 Q CB 0.019 28.789 28.738 0.053 0.000 1.027 204 Q HN 0.315 nan 8.270 nan 0.000 0.513 205 A N 0.765 123.646 122.820 0.102 0.000 2.371 205 A HA 0.236 4.556 4.320 0.000 0.000 0.257 205 A C -0.290 177.439 177.584 0.242 0.000 1.089 205 A CA -0.488 51.631 52.037 0.136 0.000 0.794 205 A CB 0.362 19.376 19.000 0.023 0.000 1.029 205 A HN 0.347 nan 8.150 nan 0.000 0.488 206 H N 0.688 119.802 119.070 0.074 0.000 2.333 206 H HA 0.178 4.734 4.556 0.000 0.000 0.302 206 H C 0.311 175.800 175.328 0.269 0.000 1.075 206 H CA 2.037 58.185 56.048 0.168 0.000 1.348 206 H CB -0.235 29.668 29.762 0.235 0.000 1.393 206 H HN 0.688 nan 8.280 nan 0.000 0.509 207 F N -2.096 117.954 119.950 0.166 0.000 2.754 207 F HA 0.567 5.094 4.527 0.000 0.000 0.320 207 F C -1.237 174.632 175.800 0.116 0.000 1.156 207 F CA -1.447 56.624 58.000 0.118 0.000 0.950 207 F CB 1.423 40.473 39.000 0.084 0.000 1.388 207 F HN -0.334 nan 8.300 nan 0.000 0.485 208 N N 0.945 119.737 118.700 0.154 0.000 2.342 208 N HA 0.464 5.204 4.740 0.000 0.000 0.293 208 N C -1.497 174.124 175.510 0.185 0.000 1.026 208 N CA -0.490 52.593 53.050 0.057 0.000 0.857 208 N CB 2.569 41.161 38.487 0.175 0.000 1.256 208 N HN 0.512 nan 8.380 nan 0.000 0.484 209 V N 2.949 122.891 119.914 0.047 0.000 2.385 209 V HA 0.212 4.332 4.120 0.000 0.000 0.269 209 V C 0.507 176.695 176.094 0.155 0.000 1.043 209 V CA -0.637 61.791 62.300 0.214 0.000 0.906 209 V CB 1.254 33.211 31.823 0.222 0.000 0.995 209 V HN 0.455 nan 8.190 nan 0.000 0.467 210 L N 6.707 128.066 121.223 0.227 0.000 2.302 210 L HA 0.315 4.655 4.340 0.000 0.000 0.285 210 L C 0.973 177.852 176.870 0.015 0.000 1.090 210 L CA 0.031 54.959 54.840 0.146 0.000 0.866 210 L CB 1.010 43.236 42.059 0.278 0.000 1.244 210 L HN 0.774 nan 8.230 nan 0.000 0.435 211 M N 4.256 123.777 119.600 -0.131 0.000 2.077 211 M HA -0.109 4.371 4.480 0.000 0.000 0.261 211 M C -0.339 175.572 176.300 -0.649 0.000 1.070 211 M CA 1.854 56.870 55.300 -0.472 0.000 1.125 211 M CB -0.003 32.246 32.600 -0.585 0.000 1.339 211 M HN 0.444 nan 8.290 nan 0.000 0.409 212 Y N -1.336 118.928 120.300 -0.060 0.000 2.526 212 Y HA 0.283 4.833 4.550 0.000 0.000 0.328 212 Y C -1.914 174.009 175.900 0.038 0.000 0.995 212 Y CA -2.281 55.812 58.100 -0.011 0.000 1.304 212 Y CB 0.179 38.636 38.460 -0.005 0.000 1.096 212 Y HN 0.017 nan 8.280 nan 0.000 0.499 213 P HA -0.314 nan 4.420 nan 0.000 0.219 213 P C 1.341 178.726 177.300 0.143 0.000 1.158 213 P CA 2.153 65.337 63.100 0.139 0.000 0.895 213 P CB 0.378 32.153 31.700 0.125 0.000 0.792 214 E N -1.070 119.228 120.200 0.163 0.000 2.418 214 E HA -0.089 4.261 4.350 0.000 0.000 0.197 214 E C 0.942 177.623 176.600 0.135 0.000 1.026 214 E CA 1.627 58.111 56.400 0.140 0.000 0.862 214 E CB -1.227 28.547 29.700 0.122 0.000 0.799 214 E HN 0.368 nan 8.360 nan 0.000 0.518 215 T N -3.841 110.805 114.554 0.153 0.000 3.200 215 T HA 0.531 4.881 4.350 0.000 0.000 0.284 215 T C 1.054 175.833 174.700 0.132 0.000 1.009 215 T CA 0.022 62.194 62.100 0.121 0.000 0.907 215 T CB 0.711 69.640 68.868 0.100 0.000 1.120 215 T HN 0.193 nan 8.240 nan 0.000 0.534 216 G N 0.524 109.418 108.800 0.156 0.000 3.258 216 G HA2 0.157 4.117 3.960 0.000 0.000 0.175 216 G HA3 0.157 4.117 3.960 0.000 0.000 0.175 216 G C 0.775 175.738 174.900 0.104 0.000 1.261 216 G CA 0.252 45.480 45.100 0.212 0.000 0.881 216 G HN 0.391 nan 8.290 nan 0.000 0.851 217 E N 1.239 121.465 120.200 0.043 0.000 2.023 217 E HA -0.150 4.201 4.350 0.000 0.000 0.196 217 E C 2.474 179.002 176.600 -0.120 0.000 1.003 217 E CA 1.681 58.039 56.400 -0.070 0.000 0.809 217 E CB -0.032 29.681 29.700 0.022 0.000 0.755 217 E HN 0.278 nan 8.360 nan 0.000 0.449 218 S N 0.429 116.114 115.700 -0.026 0.000 2.378 218 S HA -0.304 4.166 4.470 0.000 0.000 0.229 218 S C 2.064 176.617 174.600 -0.077 0.000 1.052 218 S CA 1.482 59.663 58.200 -0.031 0.000 1.084 218 S CB -0.550 62.641 63.200 -0.015 0.000 0.950 218 S HN 0.531 nan 8.310 nan 0.000 0.440 219 A N 1.090 123.847 122.820 -0.105 0.000 2.019 219 A HA 0.162 4.482 4.320 0.000 0.000 0.219 219 A C 2.294 179.786 177.584 -0.155 0.000 1.164 219 A CA 1.659 53.565 52.037 -0.219 0.000 0.644 219 A CB -0.889 17.793 19.000 -0.530 0.000 0.805 219 A HN 0.541 nan 8.150 nan 0.000 0.449 220 A N 0.053 122.746 122.820 -0.212 0.000 1.898 220 A HA -0.119 4.201 4.320 0.000 0.000 0.216 220 A C 2.260 179.618 177.584 -0.376 0.000 1.181 220 A CA 1.268 53.069 52.037 -0.393 0.000 0.620 220 A CB -0.404 18.075 19.000 -0.869 0.000 0.819 220 A HN 0.550 nan 8.150 nan 0.000 0.442 221 R N -1.435 118.870 120.500 -0.324 0.000 2.070 221 R HA -0.159 4.181 4.340 0.000 0.000 0.233 221 R C 2.221 178.521 176.300 0.000 0.000 1.137 221 R CA 1.654 57.705 56.100 -0.082 0.000 0.945 221 R CB -0.842 29.450 30.300 -0.014 0.000 0.845 221 R HN 0.763 nan 8.270 nan 0.000 0.430 222 H N 1.260 120.281 119.070 -0.081 0.000 2.292 222 H HA -0.124 4.432 4.556 0.000 0.000 0.292 222 H C 2.032 177.334 175.328 -0.043 0.000 1.100 222 H CA 2.040 58.050 56.048 -0.064 0.000 1.238 222 H CB -0.212 29.488 29.762 -0.102 0.000 1.355 222 H HN 0.062 nan 8.280 nan 0.000 0.484 223 L N -0.042 121.225 121.223 0.072 0.000 2.265 223 L HA -0.133 4.207 4.340 0.000 0.000 0.215 223 L C 2.508 179.410 176.870 0.053 0.000 1.117 223 L CA 1.387 56.259 54.840 0.054 0.000 0.782 223 L CB -0.390 41.696 42.059 0.045 0.000 0.914 223 L HN 0.498 nan 8.230 nan 0.000 0.441 224 E N 0.395 120.638 120.200 0.073 0.000 2.028 224 E HA -0.210 4.140 4.350 0.000 0.000 0.190 224 E C 2.362 178.987 176.600 0.041 0.000 0.984 224 E CA 0.713 57.185 56.400 0.121 0.000 0.800 224 E CB 0.169 30.011 29.700 0.237 0.000 0.758 224 E HN 0.265 nan 8.360 nan 0.000 0.448 225 R N -0.078 120.411 120.500 -0.018 0.000 2.061 225 R HA -0.082 4.258 4.340 0.000 0.000 0.230 225 R C 2.202 178.441 176.300 -0.102 0.000 1.140 225 R CA 1.457 57.515 56.100 -0.069 0.000 0.940 225 R CB -0.295 29.931 30.300 -0.124 0.000 0.839 225 R HN 0.178 nan 8.270 nan 0.000 0.429 226 A N -0.924 121.783 122.820 -0.187 0.000 2.066 226 A HA -0.073 4.247 4.320 0.000 0.000 0.218 226 A C 1.701 179.257 177.584 -0.046 0.000 1.157 226 A CA 1.141 53.083 52.037 -0.158 0.000 0.670 226 A CB -0.055 18.786 19.000 -0.266 0.000 0.804 226 A HN 0.538 nan 8.150 nan 0.000 0.453 227 C N -1.121 118.171 119.300 -0.014 0.000 3.525 227 C HA 0.310 4.770 4.460 0.000 0.000 0.289 227 C C 0.354 175.361 174.990 0.028 0.000 1.496 227 C CA -0.488 58.540 59.018 0.017 0.000 1.804 227 C CB -0.323 27.440 27.740 0.038 0.000 2.708 227 C HN 0.547 nan 8.230 nan 0.000 0.642 228 K N 0.789 121.203 120.400 0.024 0.000 2.960 228 K HA -0.236 4.084 4.320 0.000 0.000 0.259 228 K C -0.161 176.478 176.600 0.066 0.000 1.025 228 K CA 0.884 57.192 56.287 0.034 0.000 0.756 228 K CB -1.569 30.940 32.500 0.015 0.000 1.221 228 K HN 0.691 nan 8.250 nan 0.000 0.483 229 Q N 0.658 120.517 119.800 0.097 0.000 2.296 229 Q HA 0.229 4.569 4.340 0.000 0.000 0.257 229 Q C -2.215 173.912 176.000 0.212 0.000 0.942 229 Q CA -1.823 54.072 55.803 0.154 0.000 0.939 229 Q CB 1.246 30.075 28.738 0.151 0.000 1.198 229 Q HN -0.004 nan 8.270 nan 0.000 0.429 230 P HA 0.230 nan 4.420 nan 0.000 0.278 230 P C -1.275 176.227 177.300 0.336 0.000 1.258 230 P CA -0.387 62.829 63.100 0.193 0.000 0.811 230 P CB 0.528 32.264 31.700 0.060 0.000 1.063 231 F N -2.350 117.680 119.950 0.134 0.000 2.565 231 F HA 0.598 5.126 4.527 0.000 0.000 0.313 231 F C -0.021 175.865 175.800 0.142 0.000 1.091 231 F CA -1.179 56.924 58.000 0.170 0.000 0.915 231 F CB 0.563 39.644 39.000 0.134 0.000 1.208 231 F HN 0.239 nan 8.300 nan 0.000 0.453 232 T N -0.048 114.667 114.554 0.268 0.000 2.908 232 T HA 0.131 4.481 4.350 0.000 0.000 0.301 232 T C 0.511 175.293 174.700 0.137 0.000 1.019 232 T CA -0.375 61.821 62.100 0.160 0.000 1.152 232 T CB 0.978 70.049 68.868 0.339 0.000 0.966 232 T HN 0.835 nan 8.240 nan 0.000 0.540 233 K N 2.081 122.484 120.400 0.004 0.000 2.284 233 K HA 0.358 4.679 4.320 0.000 0.000 0.198 233 K C 0.402 177.054 176.600 0.087 0.000 1.048 233 K CA 0.310 56.608 56.287 0.019 0.000 0.987 233 K CB 0.104 32.562 32.500 -0.071 0.000 0.800 233 K HN 0.724 nan 8.250 nan 0.000 0.486 234 I N 1.126 121.768 120.570 0.121 0.000 2.365 234 I HA 0.103 4.273 4.170 0.000 0.000 0.291 234 I C -0.562 175.635 176.117 0.133 0.000 1.004 234 I CA -0.812 60.567 61.300 0.130 0.000 1.311 234 I CB 1.574 39.662 38.000 0.148 0.000 1.401 234 I HN -0.316 nan 8.210 nan 0.000 0.491 235 V N 8.357 128.266 119.914 -0.010 0.000 2.383 235 V HA 0.257 4.377 4.120 0.000 0.000 0.275 235 V C -1.944 174.003 176.094 -0.245 0.000 1.036 235 V CA -1.472 60.722 62.300 -0.176 0.000 0.889 235 V CB 1.056 32.765 31.823 -0.189 0.000 0.985 235 V HN 0.609 nan 8.190 nan 0.000 0.459 236 P HA 0.335 nan 4.420 nan 0.000 0.237 236 P C -0.550 176.575 177.300 -0.292 0.000 1.788 236 P CA 0.199 63.054 63.100 -0.408 0.000 1.061 236 P CB -0.119 31.127 31.700 -0.758 0.000 1.967 237 I N 1.577 122.036 120.570 -0.184 0.000 2.382 237 I HA 0.617 4.787 4.170 0.000 0.000 0.286 237 I C 0.530 176.616 176.117 -0.052 0.000 1.002 237 I CA -0.150 61.077 61.300 -0.123 0.000 1.135 237 I CB 1.577 39.510 38.000 -0.113 0.000 1.288 237 I HN 0.349 nan 8.210 nan 0.000 0.448 238 G N 3.612 112.387 108.800 -0.042 0.000 2.784 238 G HA2 -0.108 3.852 3.960 0.000 0.000 0.686 238 G HA3 -0.108 3.852 3.960 0.000 0.000 0.686 238 G C 0.165 175.093 174.900 0.047 0.000 1.156 238 G CA -0.633 44.467 45.100 -0.001 0.000 0.757 238 G HN 0.391 nan 8.290 nan 0.000 0.642 239 V N 2.286 122.253 119.914 0.089 0.000 2.282 239 V HA -0.138 3.982 4.120 0.000 0.000 0.249 239 V C 3.191 179.376 176.094 0.152 0.000 1.057 239 V CA 3.533 65.936 62.300 0.172 0.000 1.032 239 V CB -1.223 30.667 31.823 0.111 0.000 0.645 239 V HN 1.531 nan 8.190 nan 0.000 0.447 240 G N -0.525 108.333 108.800 0.096 0.000 2.453 240 G HA2 -0.192 3.768 3.960 0.000 0.000 0.215 240 G HA3 -0.192 3.768 3.960 0.000 0.000 0.215 240 G C 1.759 176.709 174.900 0.084 0.000 1.201 240 G CA 1.024 46.174 45.100 0.083 0.000 0.784 240 G HN 0.640 nan 8.290 nan 0.000 0.545 241 A N -0.030 122.831 122.820 0.068 0.000 2.019 241 A HA 0.018 4.338 4.320 0.000 0.000 0.219 241 A C 2.492 180.118 177.584 0.071 0.000 1.164 241 A CA 2.380 54.452 52.037 0.059 0.000 0.644 241 A CB -0.775 18.241 19.000 0.028 0.000 0.805 241 A HN 0.317 nan 8.150 nan 0.000 0.449 242 T N -0.460 114.128 114.554 0.057 0.000 2.777 242 T HA -0.106 4.244 4.350 0.000 0.000 0.266 242 T C 2.124 176.919 174.700 0.157 0.000 1.040 242 T CA 1.145 63.274 62.100 0.049 0.000 1.141 242 T CB -0.205 68.639 68.868 -0.041 0.000 0.868 242 T HN 0.412 nan 8.240 nan 0.000 0.444 243 R N 1.416 122.018 120.500 0.170 0.000 2.097 243 R HA -0.115 4.225 4.340 0.000 0.000 0.236 243 R C 2.139 178.509 176.300 0.116 0.000 1.135 243 R CA 1.737 57.931 56.100 0.156 0.000 0.934 243 R CB -0.913 29.465 30.300 0.129 0.000 0.846 243 R HN 0.430 nan 8.270 nan 0.000 0.431 244 D N 0.255 120.717 120.400 0.102 0.000 2.133 244 D HA -0.194 4.447 4.640 0.000 0.000 0.195 244 D C 1.693 178.046 176.300 0.089 0.000 0.997 244 D CA 0.967 55.011 54.000 0.074 0.000 0.840 244 D CB -0.488 40.353 40.800 0.067 0.000 0.947 244 D HN 0.126 nan 8.370 nan 0.000 0.452 245 F N 1.433 121.371 119.950 -0.020 0.000 2.065 245 F HA -0.208 4.319 4.527 0.000 0.000 0.298 245 F C 2.205 177.988 175.800 -0.029 0.000 1.112 245 F CA 1.321 59.303 58.000 -0.029 0.000 1.212 245 F CB -0.518 38.456 39.000 -0.043 0.000 0.975 245 F HN -0.109 nan 8.300 nan 0.000 0.476 246 L N 0.034 121.267 121.223 0.018 0.000 2.042 246 L HA -0.236 4.104 4.340 0.000 0.000 0.210 246 L C 2.834 179.618 176.870 -0.143 0.000 1.076 246 L CA 1.298 56.077 54.840 -0.101 0.000 0.749 246 L CB -1.273 40.812 42.059 0.043 0.000 0.893 246 L HN 0.296 nan 8.230 nan 0.000 0.432 247 A N -0.376 122.398 122.820 -0.075 0.000 1.892 247 A HA -0.302 4.018 4.320 0.000 0.000 0.218 247 A C 2.294 179.792 177.584 -0.143 0.000 1.188 247 A CA 2.122 54.109 52.037 -0.083 0.000 0.631 247 A CB -0.640 18.336 19.000 -0.039 0.000 0.822 247 A HN 0.483 nan 8.150 nan 0.000 0.447 248 E N -0.407 119.690 120.200 -0.172 0.000 2.085 248 E HA -0.142 4.208 4.350 0.000 0.000 0.194 248 E C 1.940 178.344 176.600 -0.327 0.000 0.994 248 E CA 1.467 57.738 56.400 -0.214 0.000 0.801 248 E CB -0.116 29.475 29.700 -0.182 0.000 0.743 248 E HN 0.376 nan 8.360 nan 0.000 0.453 249 V N 0.286 119.933 119.914 -0.445 0.000 2.358 249 V HA -0.227 3.893 4.120 0.000 0.000 0.246 249 V C 2.429 178.288 176.094 -0.391 0.000 1.047 249 V CA 1.716 63.696 62.300 -0.534 0.000 1.035 249 V CB -0.495 31.000 31.823 -0.546 0.000 0.658 249 V HN 0.254 nan 8.190 nan 0.000 0.452 250 S N -0.518 115.027 115.700 -0.258 0.000 2.359 250 S HA -0.265 4.205 4.470 0.000 0.000 0.222 250 S C 2.231 176.726 174.600 -0.175 0.000 1.038 250 S CA 1.684 59.778 58.200 -0.176 0.000 1.051 250 S CB -0.248 62.881 63.200 -0.118 0.000 0.944 250 S HN 0.411 nan 8.310 nan 0.000 0.433 251 K N 1.087 121.384 120.400 -0.172 0.000 2.034 251 K HA -0.098 4.222 4.320 0.000 0.000 0.214 251 K C 2.006 178.498 176.600 -0.179 0.000 1.051 251 K CA 1.738 57.934 56.287 -0.151 0.000 0.931 251 K CB -1.075 31.341 32.500 -0.140 0.000 0.715 251 K HN 0.523 nan 8.250 nan 0.000 0.446 252 I N 0.750 121.160 120.570 -0.268 0.000 2.252 252 I HA -0.253 3.917 4.170 0.000 0.000 0.245 252 I C 2.221 178.175 176.117 -0.271 0.000 1.102 252 I CA 1.834 62.946 61.300 -0.314 0.000 1.385 252 I CB -0.496 37.181 38.000 -0.538 0.000 1.064 252 I HN 0.275 nan 8.210 nan 0.000 0.414 253 T N -2.746 111.631 114.554 -0.295 0.000 3.031 253 T HA 0.292 4.643 4.350 0.000 0.000 0.254 253 T C 1.695 176.347 174.700 -0.080 0.000 1.060 253 T CA 0.601 62.605 62.100 -0.158 0.000 1.135 253 T CB 0.525 69.301 68.868 -0.153 0.000 0.896 253 T HN 0.491 nan 8.240 nan 0.000 0.472 254 G N 1.459 110.201 108.800 -0.098 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 0.004 174.873 174.900 -0.053 0.000 0.990 254 G CA 0.048 45.111 45.100 -0.062 0.000 0.627 254 G HN 0.620 nan 8.290 nan 0.000 0.522 255 L N 2.955 124.143 121.223 -0.058 0.000 2.439 255 L HA 0.411 4.751 4.340 0.000 0.000 0.269 255 L C -1.212 175.630 176.870 -0.046 0.000 1.179 255 L CA -1.776 53.039 54.840 -0.042 0.000 0.828 255 L CB 0.366 42.404 42.059 -0.036 0.000 1.106 255 L HN 0.043 nan 8.230 nan 0.000 0.467 256 P HA 0.093 nan 4.420 nan 0.000 0.277 256 P C -0.769 176.518 177.300 -0.022 0.000 1.240 256 P CA -0.435 62.649 63.100 -0.026 0.000 0.798 256 P CB 1.043 32.734 31.700 -0.015 0.000 0.979 257 V N 0.736 120.639 119.914 -0.019 0.000 2.485 257 V HA 0.254 4.374 4.120 0.000 0.000 0.287 257 V C -0.002 176.103 176.094 0.018 0.000 1.022 257 V CA -0.170 62.128 62.300 -0.003 0.000 1.067 257 V CB 0.125 31.950 31.823 0.005 0.000 0.967 257 V HN 0.230 nan 8.190 nan 0.000 0.479 258 V N 4.763 124.695 119.914 0.031 0.000 2.525 258 V HA 0.687 4.807 4.120 0.000 0.000 0.299 258 V C 0.205 176.346 176.094 0.078 0.000 1.034 258 V CA 0.074 62.400 62.300 0.043 0.000 0.863 258 V CB 1.919 33.760 31.823 0.030 0.000 0.999 258 V HN 1.163 nan 8.190 nan 0.000 0.423 259 T N -0.321 114.295 114.554 0.102 0.000 2.841 259 T HA 0.566 4.916 4.350 0.000 0.000 0.283 259 T C -0.852 173.935 174.700 0.146 0.000 1.000 259 T CA -0.661 61.551 62.100 0.186 0.000 0.977 259 T CB 1.822 70.854 68.868 0.272 0.000 0.979 259 T HN 0.608 nan 8.240 nan 0.000 0.446 260 D N 1.927 122.438 120.400 0.185 0.000 2.456 260 D HA 0.196 4.836 4.640 0.000 0.000 0.219 260 D C 0.717 177.092 176.300 0.125 0.000 1.126 260 D CA -0.496 53.579 54.000 0.124 0.000 0.890 260 D CB 0.597 41.459 40.800 0.103 0.000 1.025 260 D HN 0.583 nan 8.370 nan 0.000 0.511 261 E N 1.736 121.933 120.200 -0.006 0.000 2.419 261 E HA -0.018 4.332 4.350 0.000 0.000 0.190 261 E C 1.310 177.840 176.600 -0.116 0.000 1.040 261 E CA 0.014 56.312 56.400 -0.171 0.000 0.900 261 E CB 0.373 29.929 29.700 -0.240 0.000 1.054 261 E HN 0.519 nan 8.360 nan 0.000 0.462 262 S N 0.463 116.138 115.700 -0.040 0.000 2.474 262 S HA -0.120 4.351 4.470 0.000 0.000 0.235 262 S C 1.979 176.559 174.600 -0.033 0.000 0.997 262 S CA 1.416 59.596 58.200 -0.034 0.000 0.949 262 S CB -0.145 63.047 63.200 -0.013 0.000 0.766 262 S HN 0.252 nan 8.310 nan 0.000 0.517 263 T N -0.541 113.997 114.554 -0.026 0.000 3.044 263 T HA 0.337 4.687 4.350 0.000 0.000 0.260 263 T C 0.416 175.082 174.700 -0.056 0.000 1.019 263 T CA -0.509 61.577 62.100 -0.023 0.000 0.921 263 T CB -0.287 68.586 68.868 0.010 0.000 1.053 263 T HN 0.353 nan 8.240 nan 0.000 0.533 264 L N 2.912 124.071 121.223 -0.107 0.000 2.536 264 L HA 0.369 4.709 4.340 0.000 0.000 0.282 264 L C 0.850 177.643 176.870 -0.130 0.000 1.147 264 L CA 0.163 54.900 54.840 -0.171 0.000 0.936 264 L CB 0.131 41.932 42.059 -0.430 0.000 1.279 264 L HN 0.341 nan 8.230 nan 0.000 0.461 265 R N 1.440 121.844 120.500 -0.161 0.000 2.365 265 R HA -0.003 4.337 4.340 0.000 0.000 0.223 265 R C 1.666 177.872 176.300 -0.157 0.000 0.899 265 R CA -0.165 55.848 56.100 -0.144 0.000 1.059 265 R CB 0.355 30.369 30.300 -0.476 0.000 1.086 265 R HN 0.656 nan 8.270 nan 0.000 0.522 266 Q N 1.824 121.488 119.800 -0.227 0.000 2.050 266 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 266 Q C -0.998 174.904 176.000 -0.165 0.000 0.980 266 Q CA 1.686 57.321 55.803 -0.281 0.000 0.840 266 Q CB -0.683 27.957 28.738 -0.164 0.000 0.898 266 Q HN 0.135 nan 8.270 nan 0.000 0.424 267 P HA -0.195 nan 4.420 nan 0.000 0.216 267 P C 1.114 178.472 177.300 0.096 0.000 1.153 267 P CA 1.408 64.518 63.100 0.017 0.000 0.858 267 P CB -0.714 31.001 31.700 0.025 0.000 0.789 268 W N -1.082 120.216 121.300 -0.003 0.000 2.407 268 W HA -0.125 4.536 4.660 0.000 0.000 0.305 268 W C 1.869 178.403 176.519 0.026 0.000 1.196 268 W CA 0.615 57.979 57.345 0.031 0.000 1.311 268 W CB -1.002 28.505 29.460 0.079 0.000 1.135 268 W HN -0.008 nan 8.180 nan 0.000 0.514 269 W N 1.242 122.258 121.300 -0.472 0.000 2.304 269 W HA -0.322 4.338 4.660 0.000 0.000 0.315 269 W C 2.868 178.985 176.519 -0.670 0.000 1.233 269 W CA 2.354 59.268 57.345 -0.718 0.000 1.261 269 W CB -0.970 27.904 29.460 -0.978 0.000 1.150 269 W HN 0.051 nan 8.180 nan 0.000 0.494 270 S N -0.534 114.946 115.700 -0.367 0.000 2.470 270 S HA 0.099 4.569 4.470 0.000 0.000 0.225 270 S C 1.774 176.311 174.600 -0.106 0.000 1.006 270 S CA 0.746 58.911 58.200 -0.059 0.000 0.934 270 S CB -0.188 63.138 63.200 0.211 0.000 0.778 270 S HN 0.102 nan 8.310 nan 0.000 0.517 271 A N 1.845 124.555 122.820 -0.184 0.000 1.930 271 A HA 0.162 4.482 4.320 0.000 0.000 0.217 271 A C 1.555 178.906 177.584 -0.389 0.000 1.175 271 A CA 0.986 52.911 52.037 -0.185 0.000 0.627 271 A CB -1.163 17.814 19.000 -0.039 0.000 0.815 271 A HN 0.676 nan 8.150 nan 0.000 0.443 272 S N -0.696 114.542 115.700 -0.770 0.000 2.554 272 S HA 0.080 4.551 4.470 0.000 0.000 0.290 272 S C 1.291 175.641 174.600 -0.416 0.000 1.309 272 S CA 0.156 57.803 58.200 -0.922 0.000 1.047 272 S CB 0.712 63.252 63.200 -1.099 0.000 0.828 272 S HN 0.393 nan 8.310 nan 0.000 0.509 273 V N 3.327 123.055 119.914 -0.310 0.000 2.392 273 V HA -0.128 3.992 4.120 0.000 0.000 0.249 273 V C 2.187 178.236 176.094 -0.075 0.000 1.059 273 V CA 2.433 64.650 62.300 -0.139 0.000 1.051 273 V CB -0.873 30.894 31.823 -0.093 0.000 0.658 273 V HN 0.973 nan 8.190 nan 0.000 0.455 274 D N -0.473 119.869 120.400 -0.096 0.000 2.354 274 D HA -0.099 4.541 4.640 0.000 0.000 0.216 274 D C 2.098 178.486 176.300 0.148 0.000 0.970 274 D CA 1.039 55.039 54.000 -0.001 0.000 0.905 274 D CB -0.000 40.780 40.800 -0.033 0.000 0.903 274 D HN 0.410 nan 8.370 nan 0.000 0.508 275 S N -1.466 114.284 115.700 0.085 0.000 2.593 275 S HA -0.002 4.468 4.470 0.000 0.000 0.217 275 S C 1.790 176.461 174.600 0.117 0.000 0.966 275 S CA 0.152 58.435 58.200 0.138 0.000 0.914 275 S CB 0.288 63.550 63.200 0.103 0.000 0.776 275 S HN 0.266 nan 8.310 nan 0.000 0.523 276 T N 1.560 116.195 114.554 0.135 0.000 2.788 276 T HA -0.156 4.195 4.350 0.000 0.000 0.268 276 T C 1.572 176.370 174.700 0.163 0.000 1.044 276 T CA 1.352 63.517 62.100 0.109 0.000 1.139 276 T CB -0.472 68.445 68.868 0.082 0.000 0.867 276 T HN 0.839 nan 8.240 nan 0.000 0.454 277 Y N 0.962 121.276 120.300 0.024 0.000 2.583 277 Y HA 0.304 4.854 4.550 0.000 0.000 0.293 277 Y C 1.651 177.598 175.900 0.079 0.000 1.157 277 Y CA -0.033 58.090 58.100 0.038 0.000 1.315 277 Y CB -0.791 37.682 38.460 0.022 0.000 1.021 277 Y HN 0.089 nan 8.280 nan 0.000 0.536 278 L N 0.615 121.644 121.223 -0.323 0.000 2.275 278 L HA -0.037 4.303 4.340 0.000 0.000 0.215 278 L C 0.692 177.554 176.870 -0.014 0.000 1.119 278 L CA 0.424 55.138 54.840 -0.209 0.000 0.790 278 L CB -0.847 41.089 42.059 -0.204 0.000 0.919 278 L HN 0.163 nan 8.230 nan 0.000 0.443 279 T N 0.759 115.311 114.554 -0.003 0.000 2.829 279 T HA 0.285 4.635 4.350 0.000 0.000 0.293 279 T C 1.205 175.948 174.700 0.070 0.000 0.970 279 T CA 0.776 62.897 62.100 0.034 0.000 1.168 279 T CB 0.950 69.840 68.868 0.036 0.000 0.911 279 T HN 0.568 nan 8.240 nan 0.000 0.535 280 G N 3.134 111.993 108.800 0.098 0.000 2.199 280 G HA2 -0.244 3.716 3.960 0.000 0.000 0.254 280 G HA3 -0.244 3.716 3.960 0.000 0.000 0.254 280 G C 0.196 175.161 174.900 0.108 0.000 0.982 280 G CA -0.253 44.904 45.100 0.096 0.000 0.632 280 G HN 0.662 nan 8.290 nan 0.000 0.529 281 K N 1.377 121.872 120.400 0.158 0.000 2.451 281 K HA 0.219 4.539 4.320 0.000 0.000 0.280 281 K C 0.674 177.276 176.600 0.003 0.000 1.020 281 K CA -0.082 56.249 56.287 0.073 0.000 1.008 281 K CB 0.382 32.903 32.500 0.035 0.000 0.917 281 K HN 0.422 nan 8.250 nan 0.000 0.478 282 R N 1.772 122.237 120.500 -0.059 0.000 2.316 282 R HA 0.176 4.516 4.340 0.000 0.000 0.314 282 R C -0.171 176.034 176.300 -0.158 0.000 1.069 282 R CA -0.475 55.589 56.100 -0.060 0.000 0.959 282 R CB 0.719 31.003 30.300 -0.026 0.000 0.987 282 R HN 0.221 nan 8.270 nan 0.000 0.446 283 V N 5.122 124.939 119.914 -0.162 0.000 2.513 283 V HA 0.443 4.563 4.120 0.000 0.000 0.299 283 V C -1.168 174.871 176.094 -0.092 0.000 1.035 283 V CA -0.894 61.269 62.300 -0.228 0.000 0.889 283 V CB 1.518 33.115 31.823 -0.376 0.000 0.988 283 V HN 0.651 nan 8.190 nan 0.000 0.440 284 F N 6.846 126.679 119.950 -0.195 0.000 2.436 284 F HA 0.704 5.231 4.527 0.000 0.000 0.340 284 F C -0.212 175.509 175.800 -0.132 0.000 1.113 284 F CA -0.580 57.339 58.000 -0.136 0.000 1.022 284 F CB 1.209 40.140 39.000 -0.114 0.000 1.128 284 F HN 0.357 nan 8.300 nan 0.000 0.466 285 I N 7.249 127.535 120.570 -0.472 0.000 2.447 285 I HA 0.379 4.549 4.170 0.000 0.000 0.287 285 I C -1.232 174.837 176.117 -0.080 0.000 1.023 285 I CA -0.652 60.520 61.300 -0.213 0.000 1.083 285 I CB 1.804 39.655 38.000 -0.249 0.000 1.245 285 I HN 0.548 nan 8.210 nan 0.000 0.434 286 F N 4.040 123.957 119.950 -0.056 0.000 2.629 286 F HA 0.875 5.402 4.527 0.000 0.000 0.316 286 F C 0.361 176.158 175.800 -0.005 0.000 1.081 286 F CA 0.188 58.190 58.000 0.004 0.000 0.954 286 F CB 2.334 41.445 39.000 0.186 0.000 1.337 286 F HN 0.611 nan 8.300 nan 0.000 0.474 287 G N 2.183 110.475 108.800 -0.845 0.000 2.292 287 G HA2 0.106 4.066 3.960 0.000 0.000 0.194 287 G HA3 0.106 4.066 3.960 0.000 0.000 0.194 287 G C -2.048 172.371 174.900 -0.803 0.000 1.329 287 G CA -0.266 44.545 45.100 -0.481 0.000 1.100 287 G HN 0.832 nan 8.290 nan 0.000 0.470 288 D N 1.164 121.261 120.400 -0.505 0.000 2.443 288 D HA 0.471 5.111 4.640 0.000 0.000 0.221 288 D C 1.535 177.682 176.300 -0.256 0.000 1.097 288 D CA 0.851 54.506 54.000 -0.574 0.000 0.865 288 D CB 0.504 41.139 40.800 -0.275 0.000 1.034 288 D HN 1.569 nan 8.370 nan 0.000 0.511 289 G N 4.331 112.945 108.800 -0.309 0.000 3.344 289 G HA2 -0.530 3.430 3.960 0.000 0.000 0.377 289 G HA3 -0.530 3.430 3.960 0.000 0.000 0.377 289 G C 1.327 176.205 174.900 -0.035 0.000 1.996 289 G CA 2.070 47.085 45.100 -0.142 0.000 2.245 289 G HN 0.555 nan 8.290 nan 0.000 0.971 290 T N 0.264 114.839 114.554 0.036 0.000 2.635 290 T HA -0.143 4.207 4.350 0.000 0.000 0.267 290 T C 1.981 176.694 174.700 0.022 0.000 1.040 290 T CA 2.173 64.304 62.100 0.053 0.000 1.156 290 T CB -0.450 68.484 68.868 0.110 0.000 0.863 290 T HN 0.623 nan 8.240 nan 0.000 0.430 291 H N 0.040 119.137 119.070 0.045 0.000 2.423 291 H HA 0.059 4.615 4.556 0.000 0.000 0.297 291 H C 2.246 177.598 175.328 0.039 0.000 1.075 291 H CA 0.887 56.982 56.048 0.078 0.000 1.342 291 H CB -0.557 29.270 29.762 0.107 0.000 1.395 291 H HN 0.149 nan 8.280 nan 0.000 0.530 292 V N 0.312 120.262 119.914 0.060 0.000 2.323 292 V HA -0.187 3.933 4.120 0.000 0.000 0.244 292 V C 2.342 178.427 176.094 -0.014 0.000 1.041 292 V CA 1.540 63.828 62.300 -0.020 0.000 1.025 292 V CB -0.527 31.222 31.823 -0.124 0.000 0.656 292 V HN 0.334 nan 8.190 nan 0.000 0.451 293 I N 0.658 121.223 120.570 -0.009 0.000 2.113 293 I HA -0.356 3.814 4.170 0.000 0.000 0.242 293 I C 2.665 178.820 176.117 0.063 0.000 1.064 293 I CA 1.925 63.239 61.300 0.023 0.000 1.320 293 I CB -0.541 37.477 38.000 0.029 0.000 1.028 293 I HN 0.315 nan 8.210 nan 0.000 0.406 294 A N 0.388 123.243 122.820 0.057 0.000 1.858 294 A HA -0.189 4.131 4.320 0.000 0.000 0.216 294 A C 2.533 180.214 177.584 0.163 0.000 1.190 294 A CA 1.955 54.039 52.037 0.077 0.000 0.617 294 A CB -1.073 17.938 19.000 0.019 0.000 0.827 294 A HN 0.455 nan 8.150 nan 0.000 0.443 295 A N -0.204 122.748 122.820 0.220 0.000 1.940 295 A HA 0.089 4.410 4.320 0.000 0.000 0.219 295 A C 2.479 180.247 177.584 0.307 0.000 1.176 295 A CA 2.294 54.572 52.037 0.402 0.000 0.631 295 A CB -0.987 18.191 19.000 0.296 0.000 0.814 295 A HN 1.112 nan 8.150 nan 0.000 0.446 296 A N -0.301 122.588 122.820 0.114 0.000 1.898 296 A HA -0.144 4.176 4.320 0.000 0.000 0.216 296 A C 2.233 179.950 177.584 0.220 0.000 1.181 296 A CA 1.766 53.809 52.037 0.010 0.000 0.620 296 A CB -0.458 18.359 19.000 -0.306 0.000 0.819 296 A HN 0.599 nan 8.150 nan 0.000 0.442 297 R N -0.286 120.370 120.500 0.260 0.000 2.075 297 R HA -0.054 4.286 4.340 0.000 0.000 0.232 297 R C 1.871 178.299 176.300 0.214 0.000 1.126 297 R CA 1.686 57.941 56.100 0.259 0.000 0.963 297 R CB -0.453 29.957 30.300 0.184 0.000 0.858 297 R HN 0.472 nan 8.270 nan 0.000 0.435 298 I N 1.190 121.889 120.570 0.216 0.000 2.163 298 I HA -0.275 3.895 4.170 0.000 0.000 0.243 298 I C 2.619 178.889 176.117 0.255 0.000 1.085 298 I CA 1.546 62.958 61.300 0.187 0.000 1.347 298 I CB -0.398 37.669 38.000 0.112 0.000 1.044 298 I HN 0.333 nan 8.210 nan 0.000 0.408 299 A N 0.503 123.571 122.820 0.414 0.000 1.883 299 A HA -0.187 4.133 4.320 0.000 0.000 0.217 299 A C 2.490 180.221 177.584 0.245 0.000 1.186 299 A CA 2.208 54.503 52.037 0.429 0.000 0.624 299 A CB -1.014 18.268 19.000 0.470 0.000 0.822 299 A HN 0.438 nan 8.150 nan 0.000 0.444 300 A N -0.694 122.279 122.820 0.255 0.000 1.843 300 A HA -0.028 4.292 4.320 0.000 0.000 0.213 300 A C 2.079 179.743 177.584 0.134 0.000 1.202 300 A CA 1.489 53.660 52.037 0.222 0.000 0.607 300 A CB -0.262 18.940 19.000 0.335 0.000 0.847 300 A HN 0.393 nan 8.150 nan 0.000 0.445 301 K N -0.619 119.859 120.400 0.129 0.000 2.361 301 K HA 0.083 4.403 4.320 0.000 0.000 0.196 301 K C 1.243 177.878 176.600 0.058 0.000 1.039 301 K CA 0.932 57.267 56.287 0.079 0.000 1.001 301 K CB 0.307 32.851 32.500 0.073 0.000 0.795 301 K HN 0.611 nan 8.250 nan 0.000 0.495 302 E N -0.190 120.047 120.200 0.061 0.000 2.332 302 E HA 0.036 4.386 4.350 0.000 0.000 0.202 302 E C 1.555 178.168 176.600 0.022 0.000 0.877 302 E CA 0.110 56.537 56.400 0.045 0.000 0.979 302 E CB 0.810 30.542 29.700 0.053 0.000 0.969 302 E HN -0.117 nan 8.360 nan 0.000 0.495 303 V N -0.642 119.249 119.914 -0.038 0.000 3.379 303 V HA 0.207 4.327 4.120 0.000 0.000 0.249 303 V C 1.221 177.136 176.094 -0.298 0.000 1.184 303 V CA 0.967 63.156 62.300 -0.186 0.000 1.106 303 V CB 1.022 32.593 31.823 -0.419 0.000 0.826 303 V HN 0.484 nan 8.190 nan 0.000 0.465 304 G N 0.226 108.916 108.800 -0.185 0.000 2.131 304 G HA2 -0.227 3.733 3.960 0.000 0.000 0.223 304 G HA3 -0.227 3.733 3.960 0.000 0.000 0.223 304 G C -0.090 174.802 174.900 -0.013 0.000 0.990 304 G CA -0.231 44.818 45.100 -0.085 0.000 0.671 304 G HN 0.264 nan 8.290 nan 0.000 0.521 305 F N 1.088 121.076 119.950 0.065 0.000 2.450 305 F HA 0.468 4.995 4.527 0.000 0.000 0.339 305 F C 1.065 176.893 175.800 0.048 0.000 1.146 305 F CA -1.093 56.928 58.000 0.035 0.000 1.267 305 F CB 0.688 39.707 39.000 0.032 0.000 1.178 305 F HN 0.144 nan 8.300 nan 0.000 0.585 306 E N 1.453 121.801 120.200 0.246 0.000 2.194 306 E HA 0.296 4.646 4.350 0.000 0.000 0.284 306 E C -1.221 175.442 176.600 0.105 0.000 1.035 306 E CA -0.478 56.014 56.400 0.154 0.000 0.836 306 E CB 0.974 30.736 29.700 0.103 0.000 1.070 306 E HN 0.354 nan 8.360 nan 0.000 0.401 307 V N 5.912 125.884 119.914 0.098 0.000 2.415 307 V HA -0.021 4.099 4.120 0.000 0.000 0.267 307 V C 0.865 176.932 176.094 -0.045 0.000 1.042 307 V CA 0.073 62.357 62.300 -0.027 0.000 1.000 307 V CB 1.008 32.735 31.823 -0.160 0.000 1.015 307 V HN 0.614 nan 8.190 nan 0.000 0.478 308 V N 4.457 124.330 119.914 -0.068 0.000 3.578 308 V HA 0.597 4.717 4.120 0.000 0.000 0.290 308 V C 0.822 176.877 176.094 -0.065 0.000 1.376 308 V CA 1.031 63.316 62.300 -0.025 0.000 1.083 308 V CB 0.256 32.093 31.823 0.024 0.000 0.911 308 V HN 0.960 nan 8.190 nan 0.000 0.433 309 G N 0.354 108.988 108.800 -0.277 0.000 2.655 309 G HA2 0.586 4.546 3.960 0.000 0.000 0.296 309 G HA3 0.586 4.546 3.960 0.000 0.000 0.296 309 G C -1.515 172.921 174.900 -0.774 0.000 1.485 309 G CA -0.570 44.193 45.100 -0.562 0.000 0.869 309 G HN 0.037 nan 8.290 nan 0.000 0.540 310 M N 0.554 119.816 119.600 -0.564 0.000 2.365 310 M HA 0.676 5.156 4.480 0.000 0.000 0.287 310 M C -0.058 176.125 176.300 -0.195 0.000 1.154 310 M CA -0.330 54.728 55.300 -0.403 0.000 0.941 310 M CB 2.822 35.240 32.600 -0.302 0.000 1.704 310 M HN 1.130 nan 8.290 nan 0.000 0.479 311 G N 0.991 109.763 108.800 -0.047 0.000 2.550 311 G HA2 0.785 4.745 3.960 0.000 0.000 0.293 311 G HA3 0.785 4.745 3.960 0.000 0.000 0.293 311 G C -1.960 172.896 174.900 -0.074 0.000 1.402 311 G CA -0.633 44.550 45.100 0.139 0.000 0.784 311 G HN 1.166 nan 8.290 nan 0.000 0.482 312 C N -1.704 117.499 119.300 -0.161 0.000 3.285 312 C HA 0.685 5.145 4.460 0.000 0.000 0.325 312 C C 0.753 175.490 174.990 -0.421 0.000 1.304 312 C CA -0.785 57.812 59.018 -0.701 0.000 1.319 312 C CB 0.314 27.724 27.740 -0.549 0.000 1.640 312 C HN 1.279 nan 8.230 nan 0.000 0.477 313 Y N -0.063 119.932 120.300 -0.509 0.000 2.517 313 Y HA 0.293 4.843 4.550 0.000 0.000 0.281 313 Y C 0.927 176.785 175.900 -0.071 0.000 1.125 313 Y CA 0.389 58.375 58.100 -0.189 0.000 1.283 313 Y CB -0.514 37.709 38.460 -0.395 0.000 1.042 313 Y HN 0.655 nan 8.280 nan 0.000 0.547 314 N N 2.472 120.952 118.700 -0.367 0.000 2.508 314 N HA 0.028 4.768 4.740 0.000 0.000 0.253 314 N C 1.148 176.623 175.510 -0.059 0.000 1.145 314 N CA -0.021 52.923 53.050 -0.177 0.000 0.973 314 N CB 0.226 38.478 38.487 -0.392 0.000 1.305 314 N HN 0.429 nan 8.380 nan 0.000 0.506 315 R N 2.293 122.808 120.500 0.026 0.000 2.139 315 R HA -0.164 4.176 4.340 0.000 0.000 0.243 315 R C 0.812 177.127 176.300 0.026 0.000 1.145 315 R CA 1.680 57.798 56.100 0.031 0.000 0.976 315 R CB 0.201 30.529 30.300 0.048 0.000 0.866 315 R HN 0.432 nan 8.270 nan 0.000 0.449 316 E N -0.362 119.860 120.200 0.038 0.000 2.160 316 E HA -0.156 4.194 4.350 0.000 0.000 0.195 316 E C 1.135 177.757 176.600 0.037 0.000 0.991 316 E CA 1.197 57.630 56.400 0.054 0.000 0.810 316 E CB 0.053 29.806 29.700 0.089 0.000 0.742 316 E HN 0.304 nan 8.360 nan 0.000 0.466 317 M N -0.610 118.993 119.600 0.004 0.000 2.419 317 M HA 0.308 4.788 4.480 0.000 0.000 0.252 317 M C 1.504 177.798 176.300 -0.011 0.000 1.143 317 M CA 0.042 55.339 55.300 -0.004 0.000 0.985 317 M CB -0.110 32.468 32.600 -0.036 0.000 1.489 317 M HN 0.111 nan 8.290 nan 0.000 0.484 318 A N 0.968 123.787 122.820 -0.002 0.000 1.917 318 A HA -0.181 4.139 4.320 0.000 0.000 0.219 318 A C 2.335 179.927 177.584 0.014 0.000 1.182 318 A CA 1.497 53.537 52.037 0.004 0.000 0.633 318 A CB -0.245 18.766 19.000 0.017 0.000 0.819 318 A HN 0.318 nan 8.150 nan 0.000 0.448 319 R N -0.551 119.963 120.500 0.023 0.000 2.055 319 R HA -0.042 4.298 4.340 0.000 0.000 0.228 319 R C -0.301 176.017 176.300 0.030 0.000 1.143 319 R CA 1.519 57.636 56.100 0.029 0.000 0.945 319 R CB -2.258 28.064 30.300 0.035 0.000 0.841 319 R HN 0.359 nan 8.270 nan 0.000 0.429 320 P HA -0.147 nan 4.420 nan 0.000 0.217 320 P C 1.479 178.796 177.300 0.029 0.000 1.148 320 P CA 1.007 64.128 63.100 0.034 0.000 0.828 320 P CB -0.008 31.714 31.700 0.037 0.000 0.783 321 L N -0.912 120.319 121.223 0.013 0.000 2.095 321 L HA 0.009 4.349 4.340 0.000 0.000 0.204 321 L C 2.412 179.293 176.870 0.018 0.000 1.080 321 L CA 1.556 56.398 54.840 0.003 0.000 0.759 321 L CB -0.597 41.442 42.059 -0.032 0.000 0.914 321 L HN -0.238 nan 8.230 nan 0.000 0.439 322 R N -1.263 119.250 120.500 0.021 0.000 2.081 322 R HA -0.129 4.211 4.340 0.000 0.000 0.235 322 R C 2.045 178.370 176.300 0.042 0.000 1.131 322 R CA 1.806 57.924 56.100 0.030 0.000 0.960 322 R CB -1.056 29.261 30.300 0.028 0.000 0.856 322 R HN 0.362 nan 8.270 nan 0.000 0.436 323 T N 1.251 115.829 114.554 0.041 0.000 2.624 323 T HA -0.240 4.111 4.350 0.000 0.000 0.268 323 T C 1.991 176.730 174.700 0.065 0.000 1.041 323 T CA 1.884 64.010 62.100 0.044 0.000 1.159 323 T CB -0.325 68.566 68.868 0.039 0.000 0.863 323 T HN 0.444 nan 8.240 nan 0.000 0.434 324 A N 1.125 123.994 122.820 0.082 0.000 1.898 324 A HA 0.268 4.588 4.320 0.000 0.000 0.216 324 A C 2.593 180.325 177.584 0.247 0.000 1.181 324 A CA 1.717 53.840 52.037 0.145 0.000 0.620 324 A CB -0.997 18.083 19.000 0.134 0.000 0.819 324 A HN 0.520 nan 8.150 nan 0.000 0.442 325 A N -0.324 122.593 122.820 0.162 0.000 2.014 325 A HA 0.297 4.618 4.320 0.000 0.000 0.218 325 A C 2.386 180.099 177.584 0.215 0.000 1.163 325 A CA 1.571 53.712 52.037 0.173 0.000 0.652 325 A CB -0.782 18.232 19.000 0.023 0.000 0.808 325 A HN 0.952 nan 8.150 nan 0.000 0.449 326 A N 0.449 123.349 122.820 0.133 0.000 1.908 326 A HA -0.211 4.109 4.320 0.000 0.000 0.218 326 A C 1.780 179.411 177.584 0.080 0.000 1.181 326 A CA 1.686 53.776 52.037 0.088 0.000 0.627 326 A CB -0.580 18.452 19.000 0.053 0.000 0.818 326 A HN 0.622 nan 8.150 nan 0.000 0.445 327 E N -1.664 118.571 120.200 0.058 0.000 2.396 327 E HA -0.185 4.165 4.350 0.000 0.000 0.200 327 E C 0.582 177.077 176.600 -0.175 0.000 1.023 327 E CA 1.091 57.438 56.400 -0.088 0.000 0.857 327 E CB -0.233 29.355 29.700 -0.187 0.000 0.775 327 E HN 0.879 nan 8.360 nan 0.000 0.525 328 Y N -0.734 119.570 120.300 0.006 0.000 2.485 328 Y HA 0.281 4.831 4.550 0.000 0.000 0.260 328 Y C 1.405 177.308 175.900 0.005 0.000 1.173 328 Y CA 0.086 58.191 58.100 0.007 0.000 1.252 328 Y CB 0.915 39.376 38.460 0.002 0.000 1.123 328 Y HN 0.011 nan 8.280 nan 0.000 0.524 329 G N 0.952 109.826 108.800 0.123 0.000 2.221 329 G HA2 -0.263 3.697 3.960 0.000 0.000 0.265 329 G HA3 -0.263 3.697 3.960 0.000 0.000 0.265 329 G C -0.706 174.240 174.900 0.078 0.000 1.041 329 G CA 0.001 45.148 45.100 0.079 0.000 0.807 329 G HN 0.165 nan 8.290 nan 0.000 0.502 330 L N -0.376 120.901 121.223 0.090 0.000 2.381 330 L HA 0.689 5.029 4.340 0.000 0.000 0.268 330 L C 0.044 176.937 176.870 0.038 0.000 0.997 330 L CA -1.520 53.352 54.840 0.052 0.000 0.818 330 L CB 2.008 44.083 42.059 0.027 0.000 1.310 330 L HN 0.336 nan 8.230 nan 0.000 0.416 331 E N 2.404 122.618 120.200 0.023 0.000 2.200 331 E HA 0.632 4.983 4.350 0.000 0.000 0.283 331 E C -0.612 175.995 176.600 0.011 0.000 1.015 331 E CA -0.672 55.742 56.400 0.023 0.000 0.819 331 E CB 1.327 31.043 29.700 0.027 0.000 1.081 331 E HN 0.746 nan 8.360 nan 0.000 0.397 332 A N 5.039 127.867 122.820 0.013 0.000 2.483 332 A HA 0.146 4.466 4.320 0.000 0.000 0.238 332 A C -0.300 177.304 177.584 0.034 0.000 1.070 332 A CA -0.337 51.704 52.037 0.006 0.000 0.770 332 A CB 0.377 19.382 19.000 0.009 0.000 1.008 332 A HN 0.723 nan 8.150 nan 0.000 0.497 333 L N 4.511 125.769 121.223 0.059 0.000 2.283 333 L HA 0.356 4.697 4.340 0.000 0.000 0.281 333 L C -1.171 175.796 176.870 0.162 0.000 1.033 333 L CA -0.515 54.393 54.840 0.113 0.000 0.848 333 L CB 0.430 42.581 42.059 0.152 0.000 1.226 333 L HN 0.499 nan 8.230 nan 0.000 0.429 334 I N 4.460 125.102 120.570 0.119 0.000 2.306 334 I HA 0.413 4.583 4.170 0.000 0.000 0.288 334 I C 0.298 176.505 176.117 0.149 0.000 1.036 334 I CA 0.012 61.386 61.300 0.122 0.000 1.221 334 I CB 0.877 38.919 38.000 0.069 0.000 1.385 334 I HN 0.520 nan 8.210 nan 0.000 0.472 335 T N 4.035 118.725 114.554 0.226 0.000 2.786 335 T HA 0.316 4.666 4.350 0.000 0.000 0.316 335 T C -0.742 174.168 174.700 0.349 0.000 1.503 335 T CA -0.465 61.774 62.100 0.232 0.000 1.019 335 T CB 1.660 70.634 68.868 0.177 0.000 1.415 335 T HN 0.696 nan 8.240 nan 0.000 0.496 336 D N 0.714 121.317 120.400 0.339 0.000 2.563 336 D HA 0.227 4.867 4.640 0.000 0.000 0.237 336 D C -0.330 176.277 176.300 0.512 0.000 1.282 336 D CA -0.197 54.096 54.000 0.488 0.000 0.816 336 D CB 0.375 41.395 40.800 0.367 0.000 1.066 336 D HN 0.330 nan 8.370 nan 0.000 0.501 337 D N 0.735 121.357 120.400 0.369 0.000 2.427 337 D HA 0.053 4.693 4.640 0.000 0.000 0.226 337 D C 1.100 177.537 176.300 0.228 0.000 1.076 337 D CA -0.895 53.258 54.000 0.255 0.000 0.849 337 D CB 0.339 41.199 40.800 0.099 0.000 1.052 337 D HN 0.181 nan 8.370 nan 0.000 0.515 338 Y N 3.123 123.572 120.300 0.247 0.000 2.365 338 Y HA -0.125 4.425 4.550 0.000 0.000 0.287 338 Y C 1.221 177.106 175.900 -0.025 0.000 1.162 338 Y CA 0.974 59.142 58.100 0.112 0.000 1.260 338 Y CB -0.477 37.960 38.460 -0.038 0.000 0.976 338 Y HN 0.359 nan 8.280 nan 0.000 0.548 339 L N 0.449 121.249 121.223 -0.706 0.000 2.156 339 L HA -0.109 4.231 4.340 0.000 0.000 0.208 339 L C 2.496 179.206 176.870 -0.267 0.000 1.095 339 L CA 1.134 55.638 54.840 -0.561 0.000 0.770 339 L CB -0.508 41.230 42.059 -0.536 0.000 0.914 339 L HN 0.280 nan 8.230 nan 0.000 0.439 340 E N 0.120 120.218 120.200 -0.170 0.000 2.072 340 E HA -0.152 4.198 4.350 0.000 0.000 0.191 340 E C 2.371 178.880 176.600 -0.152 0.000 0.985 340 E CA 1.245 57.579 56.400 -0.111 0.000 0.801 340 E CB -0.269 29.408 29.700 -0.039 0.000 0.750 340 E HN 0.331 nan 8.360 nan 0.000 0.452 341 V N 1.699 121.489 119.914 -0.208 0.000 2.255 341 V HA -0.287 3.833 4.120 0.000 0.000 0.247 341 V C 2.502 178.391 176.094 -0.343 0.000 1.051 341 V CA 2.261 64.353 62.300 -0.347 0.000 1.018 341 V CB -0.653 30.893 31.823 -0.461 0.000 0.641 341 V HN 0.276 nan 8.190 nan 0.000 0.445 342 E N 0.088 120.134 120.200 -0.255 0.000 2.097 342 E HA -0.293 4.057 4.350 0.000 0.000 0.196 342 E C 2.363 178.824 176.600 -0.232 0.000 1.000 342 E CA 1.732 57.992 56.400 -0.233 0.000 0.804 342 E CB -0.130 29.466 29.700 -0.173 0.000 0.740 342 E HN 0.511 nan 8.360 nan 0.000 0.454 343 K N -0.300 119.981 120.400 -0.197 0.000 2.025 343 K HA -0.128 4.192 4.320 0.000 0.000 0.207 343 K C 2.078 178.585 176.600 -0.155 0.000 1.049 343 K CA 0.992 57.188 56.287 -0.153 0.000 0.933 343 K CB -0.143 32.288 32.500 -0.116 0.000 0.714 343 K HN 0.167 nan 8.250 nan 0.000 0.438 344 A N 1.578 124.297 122.820 -0.167 0.000 1.858 344 A HA -0.167 4.153 4.320 0.000 0.000 0.216 344 A C 2.104 179.530 177.584 -0.263 0.000 1.190 344 A CA 1.434 53.406 52.037 -0.108 0.000 0.617 344 A CB -0.646 18.380 19.000 0.042 0.000 0.827 344 A HN 0.305 nan 8.150 nan 0.000 0.443 345 I N -0.757 119.405 120.570 -0.681 0.000 2.151 345 I HA -0.329 3.841 4.170 0.000 0.000 0.243 345 I C 2.602 178.512 176.117 -0.344 0.000 1.080 345 I CA 2.058 62.871 61.300 -0.812 0.000 1.339 345 I CB -0.329 37.166 38.000 -0.841 0.000 1.039 345 I HN 0.484 nan 8.210 nan 0.000 0.409 346 E N 0.574 120.622 120.200 -0.252 0.000 2.058 346 E HA -0.248 4.102 4.350 0.000 0.000 0.194 346 E C 2.227 178.768 176.600 -0.100 0.000 0.997 346 E CA 1.535 57.844 56.400 -0.153 0.000 0.801 346 E CB -0.137 29.485 29.700 -0.131 0.000 0.746 346 E HN 0.510 nan 8.360 nan 0.000 0.450 347 A N 0.664 123.434 122.820 -0.082 0.000 1.972 347 A HA -0.098 4.222 4.320 0.000 0.000 0.219 347 A C 2.300 179.877 177.584 -0.012 0.000 1.169 347 A CA 1.615 53.630 52.037 -0.037 0.000 0.635 347 A CB -0.644 18.344 19.000 -0.020 0.000 0.810 347 A HN 0.363 nan 8.150 nan 0.000 0.446 348 A N -0.250 122.568 122.820 -0.002 0.000 2.067 348 A HA 0.398 4.718 4.320 0.000 0.000 0.219 348 A C 1.488 179.088 177.584 0.026 0.000 1.158 348 A CA 0.958 53.030 52.037 0.058 0.000 0.661 348 A CB -0.873 18.246 19.000 0.199 0.000 0.801 348 A HN 1.090 nan 8.150 nan 0.000 0.452 349 A N 1.358 124.170 122.820 -0.013 0.000 2.451 349 A HA 0.517 4.837 4.320 0.000 0.000 0.266 349 A C -1.917 175.651 177.584 -0.028 0.000 1.119 349 A CA -1.113 50.896 52.037 -0.048 0.000 0.786 349 A CB -0.128 18.837 19.000 -0.058 0.000 1.061 349 A HN 0.352 nan 8.150 nan 0.000 0.503 350 P HA 0.318 nan 4.420 nan 0.000 0.282 350 P C 0.001 177.261 177.300 -0.067 0.000 1.287 350 P CA -0.220 62.863 63.100 -0.028 0.000 0.792 350 P CB 0.928 32.635 31.700 0.012 0.000 1.163 351 E N -1.292 118.850 120.200 -0.096 0.000 2.372 351 E HA 0.169 4.519 4.350 0.000 0.000 0.201 351 E C 0.027 176.532 176.600 -0.158 0.000 0.938 351 E CA 0.061 56.396 56.400 -0.109 0.000 0.944 351 E CB 0.279 29.916 29.700 -0.106 0.000 0.937 351 E HN 0.133 nan 8.360 nan 0.000 0.495 352 L N 1.112 122.203 121.223 -0.221 0.000 2.401 352 L HA 0.493 4.833 4.340 0.000 0.000 0.266 352 L C -1.390 175.351 176.870 -0.215 0.000 0.991 352 L CA -0.930 53.748 54.840 -0.270 0.000 0.818 352 L CB 2.063 43.833 42.059 -0.482 0.000 1.321 352 L HN -0.011 nan 8.230 nan 0.000 0.413 353 I N 4.085 124.549 120.570 -0.177 0.000 2.465 353 I HA 0.527 4.697 4.170 0.000 0.000 0.291 353 I C -1.901 174.120 176.117 -0.159 0.000 1.014 353 I CA -0.735 60.501 61.300 -0.106 0.000 1.093 353 I CB 1.879 39.851 38.000 -0.048 0.000 1.267 353 I HN 0.574 nan 8.210 nan 0.000 0.431 354 L N 7.712 128.835 121.223 -0.167 0.000 2.305 354 L HA 0.812 5.152 4.340 0.000 0.000 0.284 354 L C 0.338 177.172 176.870 -0.060 0.000 1.013 354 L CA -0.161 54.527 54.840 -0.253 0.000 0.819 354 L CB 1.350 43.106 42.059 -0.506 0.000 1.227 354 L HN 1.004 nan 8.230 nan 0.000 0.417 355 G N 1.788 110.576 108.800 -0.020 0.000 2.704 355 G HA2 0.288 4.248 3.960 0.000 0.000 0.118 355 G HA3 0.288 4.248 3.960 0.000 0.000 0.118 355 G C -1.160 173.769 174.900 0.048 0.000 1.197 355 G CA -0.069 45.082 45.100 0.086 0.000 1.152 355 G HN 0.337 nan 8.290 nan 0.000 0.571 356 T N -0.189 114.440 114.554 0.125 0.000 2.930 356 T HA 0.387 4.737 4.350 0.000 0.000 0.290 356 T C 0.935 175.660 174.700 0.041 0.000 1.052 356 T CA -0.318 61.854 62.100 0.120 0.000 1.017 356 T CB 1.912 71.001 68.868 0.369 0.000 1.137 356 T HN 0.431 nan 8.240 nan 0.000 0.511 357 Q N 0.514 120.324 119.800 0.017 0.000 2.268 357 Q HA -0.211 4.130 4.340 0.000 0.000 0.210 357 Q C 1.882 177.713 176.000 -0.283 0.000 0.988 357 Q CA 1.736 57.495 55.803 -0.073 0.000 0.883 357 Q CB -0.132 28.603 28.738 -0.006 0.000 0.911 357 Q HN 0.545 nan 8.270 nan 0.000 0.430 358 M N 0.443 119.769 119.600 -0.456 0.000 2.132 358 M HA -0.138 4.342 4.480 0.000 0.000 0.263 358 M C 1.249 177.346 176.300 -0.339 0.000 1.065 358 M CA 1.749 56.602 55.300 -0.745 0.000 1.122 358 M CB 0.111 32.023 32.600 -1.146 0.000 1.365 358 M HN -0.014 nan 8.290 nan 0.000 0.411 359 E N -0.446 119.684 120.200 -0.116 0.000 2.208 359 E HA -0.071 4.279 4.350 0.000 0.000 0.193 359 E C 2.112 178.655 176.600 -0.095 0.000 0.988 359 E CA 0.714 57.075 56.400 -0.064 0.000 0.828 359 E CB -0.358 29.376 29.700 0.057 0.000 0.763 359 E HN 0.418 nan 8.360 nan 0.000 0.478 360 R N 0.539 120.981 120.500 -0.095 0.000 2.105 360 R HA -0.081 4.259 4.340 0.000 0.000 0.239 360 R C 1.730 177.962 176.300 -0.113 0.000 1.135 360 R CA 1.094 57.143 56.100 -0.085 0.000 0.967 360 R CB -0.066 30.198 30.300 -0.060 0.000 0.861 360 R HN 0.255 nan 8.270 nan 0.000 0.442 361 N N 0.338 118.936 118.700 -0.170 0.000 2.148 361 N HA -0.087 4.653 4.740 0.000 0.000 0.186 361 N C 2.015 177.434 175.510 -0.152 0.000 1.031 361 N CA 1.079 54.024 53.050 -0.176 0.000 0.848 361 N CB -0.075 38.263 38.487 -0.249 0.000 1.005 361 N HN 0.128 nan 8.380 nan 0.000 0.427 362 I N 1.861 122.332 120.570 -0.165 0.000 2.145 362 I HA -0.325 3.845 4.170 0.000 0.000 0.244 362 I C 2.529 178.572 176.117 -0.123 0.000 1.075 362 I CA 1.387 62.607 61.300 -0.133 0.000 1.332 362 I CB -0.423 37.492 38.000 -0.142 0.000 1.033 362 I HN 0.087 nan 8.210 nan 0.000 0.410 363 A N 0.400 123.148 122.820 -0.120 0.000 1.892 363 A HA -0.298 4.022 4.320 0.000 0.000 0.218 363 A C 2.388 179.919 177.584 -0.088 0.000 1.188 363 A CA 2.168 54.142 52.037 -0.105 0.000 0.631 363 A CB -0.631 18.313 19.000 -0.093 0.000 0.822 363 A HN 0.363 nan 8.150 nan 0.000 0.447 364 K N -0.456 119.894 120.400 -0.083 0.000 1.991 364 K HA -0.185 4.135 4.320 0.000 0.000 0.212 364 K C 2.194 178.753 176.600 -0.068 0.000 1.049 364 K CA 1.846 58.091 56.287 -0.069 0.000 0.932 364 K CB -0.219 32.239 32.500 -0.069 0.000 0.717 364 K HN 0.413 nan 8.250 nan 0.000 0.441 365 K N 0.385 120.739 120.400 -0.076 0.000 2.089 365 K HA -0.160 4.160 4.320 0.000 0.000 0.210 365 K C 1.697 178.256 176.600 -0.068 0.000 1.048 365 K CA 1.405 57.650 56.287 -0.070 0.000 0.926 365 K CB -0.116 32.340 32.500 -0.073 0.000 0.714 365 K HN 0.212 nan 8.250 nan 0.000 0.448 366 L N 0.224 121.400 121.223 -0.078 0.000 2.627 366 L HA 0.121 4.461 4.340 0.000 0.000 0.232 366 L C 0.704 177.533 176.870 -0.067 0.000 1.150 366 L CA -0.061 54.732 54.840 -0.078 0.000 0.917 366 L CB -0.166 41.835 42.059 -0.098 0.000 1.104 366 L HN 0.297 nan 8.230 nan 0.000 0.445 367 G N 1.637 110.401 108.800 -0.060 0.000 2.412 367 G HA2 -0.278 3.682 3.960 0.000 0.000 0.297 367 G HA3 -0.278 3.682 3.960 0.000 0.000 0.297 367 G C -0.150 174.719 174.900 -0.051 0.000 0.965 367 G CA 0.367 45.437 45.100 -0.051 0.000 1.134 367 G HN 0.307 nan 8.290 nan 0.000 0.511 368 L N -0.205 120.981 121.223 -0.061 0.000 2.341 368 L HA 0.531 4.871 4.340 0.000 0.000 0.267 368 L C -1.998 174.832 176.870 -0.067 0.000 1.009 368 L CA -2.530 52.270 54.840 -0.067 0.000 0.819 368 L CB 2.355 44.363 42.059 -0.086 0.000 1.323 368 L HN -0.047 nan 8.230 nan 0.000 0.425 369 P HA 0.223 nan 4.420 nan 0.000 0.274 369 P C -1.183 176.065 177.300 -0.086 0.000 1.231 369 P CA -0.469 62.590 63.100 -0.067 0.000 0.790 369 P CB 0.990 32.649 31.700 -0.069 0.000 0.951 370 C N 1.691 120.951 119.300 -0.067 0.000 3.090 370 C HA 0.812 5.272 4.460 0.000 0.000 0.347 370 C C -1.410 173.554 174.990 -0.044 0.000 1.147 370 C CA -0.104 58.867 59.018 -0.077 0.000 1.305 370 C CB 0.548 28.248 27.740 -0.066 0.000 1.692 370 C HN 0.748 nan 8.230 nan 0.000 0.506 371 A N 4.023 126.793 122.820 -0.083 0.000 2.401 371 A HA 0.811 5.131 4.320 0.000 0.000 0.310 371 A C -1.094 176.476 177.584 -0.023 0.000 1.075 371 A CA -0.416 51.611 52.037 -0.017 0.000 0.746 371 A CB 1.459 20.456 19.000 -0.005 0.000 1.277 371 A HN 1.203 nan 8.150 nan 0.000 0.425 372 V N 2.651 122.605 119.914 0.066 0.000 2.461 372 V HA 0.266 4.387 4.120 0.000 0.000 0.275 372 V C 0.774 176.920 176.094 0.086 0.000 1.047 372 V CA 0.502 62.824 62.300 0.037 0.000 0.955 372 V CB 0.759 32.612 31.823 0.050 0.000 0.988 372 V HN 0.826 nan 8.190 nan 0.000 0.471 373 I N 1.939 122.493 120.570 -0.026 0.000 4.240 373 I HA 0.523 4.693 4.170 0.000 0.000 0.331 373 I C 0.462 176.457 176.117 -0.203 0.000 1.381 373 I CA 0.090 61.451 61.300 0.102 0.000 1.136 373 I CB 0.795 38.924 38.000 0.215 0.000 1.137 373 I HN 0.533 nan 8.210 nan 0.000 0.411 374 S N 0.962 116.221 115.700 -0.734 0.000 2.565 374 S HA 0.775 5.245 4.470 0.000 0.000 0.274 374 S C -0.469 173.690 174.600 -0.734 0.000 1.144 374 S CA -0.220 57.452 58.200 -0.881 0.000 0.849 374 S CB 1.087 64.058 63.200 -0.380 0.000 1.103 374 S HN 0.519 nan 8.310 nan 0.000 0.455 375 A N 3.196 125.720 122.820 -0.494 0.000 2.507 375 A HA 0.595 4.915 4.320 0.000 0.000 0.235 375 A C -2.311 175.314 177.584 0.068 0.000 1.070 375 A CA -0.747 51.219 52.037 -0.117 0.000 0.768 375 A CB -0.608 18.402 19.000 0.017 0.000 1.011 375 A HN 0.695 nan 8.150 nan 0.000 0.502 376 P HA 0.442 nan 4.420 nan 0.000 0.282 376 P C -0.758 176.612 177.300 0.117 0.000 1.249 376 P CA -0.100 63.047 63.100 0.077 0.000 0.806 376 P CB 1.514 33.237 31.700 0.038 0.000 0.984 377 V N 1.871 121.876 119.914 0.151 0.000 3.188 377 V HA 0.373 4.493 4.120 0.000 0.000 0.305 377 V C -0.656 175.607 176.094 0.281 0.000 1.232 377 V CA -0.676 61.747 62.300 0.205 0.000 1.043 377 V CB 2.263 34.210 31.823 0.207 0.000 1.068 377 V HN 0.668 nan 8.190 nan 0.000 0.439 378 H N 1.089 120.244 119.070 0.142 0.000 2.497 378 H HA 0.423 4.979 4.556 0.000 0.000 0.348 378 H C 1.083 176.494 175.328 0.138 0.000 1.335 378 H CA 0.609 56.713 56.048 0.093 0.000 1.395 378 H CB 1.784 31.581 29.762 0.057 0.000 1.658 378 H HN 0.429 nan 8.280 nan 0.000 0.613 379 V N 1.662 121.435 119.914 -0.235 0.000 2.280 379 V HA -0.377 3.743 4.120 0.000 0.000 0.258 379 V C 2.214 178.326 176.094 0.031 0.000 1.081 379 V CA 3.206 65.391 62.300 -0.192 0.000 1.070 379 V CB -0.687 30.883 31.823 -0.422 0.000 0.666 379 V HN 0.943 nan 8.190 nan 0.000 0.450 380 Q N -1.116 118.699 119.800 0.025 0.000 2.124 380 Q HA -0.244 4.096 4.340 0.000 0.000 0.202 380 Q C 1.565 177.645 176.000 0.134 0.000 0.977 380 Q CA 2.230 58.077 55.803 0.073 0.000 0.850 380 Q CB -0.608 28.168 28.738 0.064 0.000 0.901 380 Q HN 0.718 nan 8.270 nan 0.000 0.429 381 D N -0.306 120.225 120.400 0.218 0.000 2.324 381 D HA 0.032 4.672 4.640 0.000 0.000 0.235 381 D C -0.747 175.638 176.300 0.142 0.000 1.095 381 D CA 0.265 54.404 54.000 0.232 0.000 0.871 381 D CB 0.107 41.133 40.800 0.378 0.000 0.906 381 D HN 0.201 nan 8.370 nan 0.000 0.522 382 F N 2.132 122.102 119.950 0.033 0.000 2.389 382 F HA 0.260 4.787 4.527 0.000 0.000 0.327 382 F C -1.828 173.961 175.800 -0.018 0.000 1.204 382 F CA -2.062 55.932 58.000 -0.010 0.000 1.209 382 F CB 0.954 39.944 39.000 -0.017 0.000 1.460 382 F HN -0.162 nan 8.300 nan 0.000 0.537 383 P HA 0.290 nan 4.420 nan 0.000 0.278 383 P C 0.273 177.592 177.300 0.032 0.000 1.258 383 P CA -0.208 62.909 63.100 0.028 0.000 0.811 383 P CB 1.756 33.448 31.700 -0.013 0.000 1.063 384 A N 1.971 124.812 122.820 0.036 0.000 1.970 384 A HA -0.031 4.289 4.320 0.000 0.000 0.216 384 A C 1.292 178.902 177.584 0.043 0.000 1.170 384 A CA 0.775 52.836 52.037 0.039 0.000 0.645 384 A CB -0.586 18.434 19.000 0.035 0.000 0.816 384 A HN 0.709 nan 8.150 nan 0.000 0.447 385 R N -1.978 118.546 120.500 0.039 0.000 2.560 385 R HA 0.368 4.709 4.340 0.000 0.000 0.270 385 R C -0.392 175.959 176.300 0.085 0.000 1.074 385 R CA -0.576 55.560 56.100 0.061 0.000 1.140 385 R CB 0.051 30.380 30.300 0.047 0.000 1.073 385 R HN 0.256 nan 8.270 nan 0.000 0.527 386 Y N 1.017 121.299 120.300 -0.031 0.000 2.650 386 Y HA 0.208 4.758 4.550 0.000 0.000 0.331 386 Y C -0.291 175.576 175.900 -0.055 0.000 1.165 386 Y CA 0.694 58.769 58.100 -0.042 0.000 1.473 386 Y CB 0.499 38.938 38.460 -0.035 0.000 1.224 386 Y HN 0.803 nan 8.280 nan 0.000 0.533 387 A N 8.629 131.183 122.820 -0.443 0.000 3.474 387 A HA 0.319 4.639 4.320 0.000 0.000 0.251 387 A C -2.884 174.441 177.584 -0.432 0.000 1.062 387 A CA -1.066 50.758 52.037 -0.354 0.000 0.945 387 A CB -0.128 18.747 19.000 -0.209 0.000 1.296 387 A HN 0.537 nan 8.150 nan 0.000 0.592 388 P HA 0.239 nan 4.420 nan 0.000 0.277 388 P C -0.206 176.942 177.300 -0.254 0.000 1.271 388 P CA 0.116 62.970 63.100 -0.410 0.000 0.795 388 P CB 1.059 32.493 31.700 -0.443 0.000 1.101 389 Q N -1.085 118.612 119.800 -0.172 0.000 2.322 389 Q HA 0.244 4.584 4.340 0.000 0.000 0.250 389 Q C 0.918 176.849 176.000 -0.115 0.000 0.853 389 Q CA 0.476 56.226 55.803 -0.087 0.000 0.951 389 Q CB 0.313 29.077 28.738 0.044 0.000 1.114 389 Q HN 0.518 nan 8.270 nan 0.000 0.523 390 M N 0.291 119.794 119.600 -0.161 0.000 2.227 390 M HA 0.380 4.860 4.480 0.000 0.000 0.316 390 M C 0.965 177.137 176.300 -0.212 0.000 1.144 390 M CA 0.506 55.676 55.300 -0.217 0.000 1.121 390 M CB 0.547 32.974 32.600 -0.290 0.000 1.440 390 M HN 0.301 nan 8.290 nan 0.000 0.473 391 G N 0.681 109.319 108.800 -0.269 0.000 2.641 391 G HA2 -0.273 3.687 3.960 0.000 0.000 0.254 391 G HA3 -0.273 3.687 3.960 0.000 0.000 0.254 391 G C -0.083 174.701 174.900 -0.193 0.000 1.315 391 G CA 0.055 44.937 45.100 -0.362 0.000 0.907 391 G HN 0.628 nan 8.290 nan 0.000 0.572 392 F N 0.227 120.155 119.950 -0.037 0.000 2.128 392 F HA 0.119 4.646 4.527 0.000 0.000 0.295 392 F C 2.650 178.418 175.800 -0.054 0.000 1.100 392 F CA 1.792 59.767 58.000 -0.040 0.000 1.260 392 F CB -0.964 38.022 39.000 -0.024 0.000 1.009 392 F HN 0.556 nan 8.300 nan 0.000 0.476 393 E N 0.463 120.743 120.200 0.134 0.000 2.204 393 E HA -0.084 4.266 4.350 0.000 0.000 0.195 393 E C 2.461 179.046 176.600 -0.025 0.000 0.990 393 E CA 1.170 57.609 56.400 0.064 0.000 0.821 393 E CB -0.773 29.016 29.700 0.148 0.000 0.750 393 E HN 0.303 nan 8.360 nan 0.000 0.477 394 G N 0.459 109.226 108.800 -0.055 0.000 2.480 394 G HA2 -0.282 3.678 3.960 0.000 0.000 0.216 394 G HA3 -0.282 3.678 3.960 0.000 0.000 0.216 394 G C 1.721 176.570 174.900 -0.086 0.000 1.200 394 G CA 1.371 46.412 45.100 -0.099 0.000 0.782 394 G HN 0.453 nan 8.290 nan 0.000 0.554 395 A N 1.383 124.178 122.820 -0.042 0.000 1.873 395 A HA -0.203 4.117 4.320 0.000 0.000 0.218 395 A C 2.323 179.860 177.584 -0.078 0.000 1.193 395 A CA 2.231 54.236 52.037 -0.054 0.000 0.629 395 A CB -0.680 18.332 19.000 0.019 0.000 0.826 395 A HN 0.373 nan 8.150 nan 0.000 0.447 396 N N 0.044 118.698 118.700 -0.077 0.000 2.061 396 N HA -0.144 4.596 4.740 0.000 0.000 0.193 396 N C 1.733 177.185 175.510 -0.098 0.000 1.030 396 N CA 1.745 54.713 53.050 -0.137 0.000 0.856 396 N CB -0.790 37.602 38.487 -0.159 0.000 1.023 396 N HN 0.273 nan 8.380 nan 0.000 0.424 397 V N 1.674 121.535 119.914 -0.089 0.000 2.343 397 V HA -0.171 3.949 4.120 0.000 0.000 0.247 397 V C 2.431 178.472 176.094 -0.087 0.000 1.051 397 V CA 1.171 63.425 62.300 -0.077 0.000 1.036 397 V CB -0.546 31.219 31.823 -0.096 0.000 0.654 397 V HN 0.218 nan 8.190 nan 0.000 0.451 398 L N -1.332 119.787 121.223 -0.173 0.000 2.012 398 L HA -0.209 4.131 4.340 0.000 0.000 0.210 398 L C 2.355 178.929 176.870 -0.495 0.000 1.073 398 L CA 1.966 56.549 54.840 -0.428 0.000 0.748 398 L CB -0.630 41.067 42.059 -0.604 0.000 0.891 398 L HN 0.313 nan 8.230 nan 0.000 0.431 399 F N 1.176 120.903 119.950 -0.372 0.000 2.095 399 F HA -0.283 4.244 4.527 0.000 0.000 0.298 399 F C 2.187 177.969 175.800 -0.031 0.000 1.104 399 F CA 1.916 59.794 58.000 -0.205 0.000 1.232 399 F CB -0.135 38.778 39.000 -0.145 0.000 0.987 399 F HN 0.119 nan 8.300 nan 0.000 0.475 400 D N -0.516 119.979 120.400 0.159 0.000 2.123 400 D HA -0.164 4.477 4.640 0.000 0.000 0.196 400 D C 2.304 178.685 176.300 0.136 0.000 0.992 400 D CA 2.116 56.206 54.000 0.150 0.000 0.833 400 D CB -0.770 40.074 40.800 0.072 0.000 0.954 400 D HN 0.313 nan 8.370 nan 0.000 0.455 401 T N -0.779 113.851 114.554 0.127 0.000 2.821 401 T HA -0.138 4.212 4.350 0.000 0.000 0.267 401 T C 1.569 176.517 174.700 0.413 0.000 1.046 401 T CA 0.769 63.019 62.100 0.249 0.000 1.139 401 T CB -0.272 68.769 68.868 0.287 0.000 0.871 401 T HN 0.192 nan 8.240 nan 0.000 0.454 402 W N 0.838 122.165 121.300 0.045 0.000 2.481 402 W HA 0.289 4.949 4.660 0.000 0.000 0.293 402 W C 2.371 178.900 176.519 0.017 0.000 1.201 402 W CA -1.015 56.353 57.345 0.038 0.000 1.328 402 W CB -1.318 28.179 29.460 0.062 0.000 1.112 402 W HN 0.043 nan 8.180 nan 0.000 0.546 403 V N -0.087 119.926 119.914 0.164 0.000 2.358 403 V HA -0.300 3.820 4.120 0.000 0.000 0.246 403 V C 2.227 178.430 176.094 0.182 0.000 1.047 403 V CA 2.316 64.664 62.300 0.081 0.000 1.035 403 V CB -1.072 30.679 31.823 -0.120 0.000 0.658 403 V HN 0.098 nan 8.190 nan 0.000 0.452 404 H N 1.355 120.495 119.070 0.117 0.000 2.267 404 H HA -0.157 4.399 4.556 0.000 0.000 0.291 404 H C -0.333 175.053 175.328 0.096 0.000 1.094 404 H CA 2.925 59.043 56.048 0.117 0.000 1.227 404 H CB -1.384 28.448 29.762 0.117 0.000 1.351 404 H HN 0.346 nan 8.280 nan 0.000 0.483 405 P HA -0.078 nan 4.420 nan 0.000 0.223 405 P C 1.520 178.804 177.300 -0.027 0.000 1.151 405 P CA 1.108 64.192 63.100 -0.026 0.000 0.787 405 P CB -0.015 31.695 31.700 0.017 0.000 0.788 406 L N -0.571 120.662 121.223 0.017 0.000 2.072 406 L HA -0.093 4.247 4.340 0.000 0.000 0.205 406 L C 2.580 179.499 176.870 0.082 0.000 1.079 406 L CA 1.171 56.031 54.840 0.033 0.000 0.752 406 L CB -1.208 40.867 42.059 0.026 0.000 0.906 406 L HN -0.084 nan 8.230 nan 0.000 0.436 407 V N -2.681 117.290 119.914 0.095 0.000 2.427 407 V HA -0.247 3.873 4.120 0.000 0.000 0.248 407 V C 2.494 178.588 176.094 -0.001 0.000 1.051 407 V CA 1.304 63.663 62.300 0.097 0.000 1.048 407 V CB -0.463 31.441 31.823 0.133 0.000 0.666 407 V HN 0.305 nan 8.190 nan 0.000 0.456 408 M N 1.492 121.034 119.600 -0.097 0.000 2.159 408 M HA 0.005 4.485 4.480 0.000 0.000 0.263 408 M C 2.405 178.680 176.300 -0.041 0.000 1.063 408 M CA 2.039 57.274 55.300 -0.108 0.000 1.110 408 M CB -2.074 30.409 32.600 -0.195 0.000 1.374 408 M HN 0.559 nan 8.290 nan 0.000 0.411 409 G N 0.354 109.141 108.800 -0.022 0.000 2.404 409 G HA2 -0.172 3.788 3.960 0.000 0.000 0.215 409 G HA3 -0.172 3.788 3.960 0.000 0.000 0.215 409 G C 1.590 176.507 174.900 0.029 0.000 1.174 409 G CA 0.683 45.786 45.100 0.006 0.000 0.780 409 G HN 0.410 nan 8.290 nan 0.000 0.537 410 L N 0.370 121.605 121.223 0.020 0.000 2.046 410 L HA 0.066 4.406 4.340 0.000 0.000 0.208 410 L C 2.533 179.384 176.870 -0.031 0.000 1.077 410 L CA 2.200 57.023 54.840 -0.028 0.000 0.747 410 L CB -0.451 41.603 42.059 -0.007 0.000 0.896 410 L HN 0.328 nan 8.230 nan 0.000 0.432 411 E N -0.739 119.453 120.200 -0.013 0.000 2.051 411 E HA -0.277 4.073 4.350 0.000 0.000 0.192 411 E C 2.033 178.627 176.600 -0.010 0.000 0.991 411 E CA 1.369 57.762 56.400 -0.011 0.000 0.799 411 E CB 0.055 29.754 29.700 -0.002 0.000 0.748 411 E HN 0.469 nan 8.360 nan 0.000 0.449 412 E N -0.356 119.845 120.200 0.001 0.000 2.152 412 E HA -0.159 4.192 4.350 0.000 0.000 0.192 412 E C 1.682 178.281 176.600 -0.002 0.000 0.983 412 E CA 1.315 57.712 56.400 -0.004 0.000 0.818 412 E CB -0.234 29.461 29.700 -0.007 0.000 0.758 412 E HN 0.400 nan 8.360 nan 0.000 0.467 413 H N -0.180 118.831 119.070 -0.098 0.000 2.253 413 H HA -0.115 4.441 4.556 0.000 0.000 0.296 413 H C 2.061 177.255 175.328 -0.223 0.000 1.067 413 H CA 2.295 58.268 56.048 -0.125 0.000 1.245 413 H CB -0.283 29.422 29.762 -0.094 0.000 1.364 413 H HN 0.136 nan 8.280 nan 0.000 0.494 414 L N 0.072 121.310 121.223 0.024 0.000 2.051 414 L HA -0.227 4.113 4.340 0.000 0.000 0.214 414 L C 2.764 179.199 176.870 -0.725 0.000 1.076 414 L CA 1.551 56.157 54.840 -0.390 0.000 0.758 414 L CB -0.565 41.285 42.059 -0.349 0.000 0.890 414 L HN 0.502 nan 8.230 nan 0.000 0.433 415 L N -2.196 118.852 121.223 -0.291 0.000 2.240 415 L HA -0.024 4.316 4.340 0.000 0.000 0.211 415 L C 2.507 179.333 176.870 -0.072 0.000 1.106 415 L CA 1.761 56.530 54.840 -0.118 0.000 0.793 415 L CB -1.493 40.602 42.059 0.061 0.000 0.927 415 L HN 0.227 nan 8.230 nan 0.000 0.446 416 T N -3.264 111.223 114.554 -0.111 0.000 2.777 416 T HA -0.181 4.169 4.350 0.000 0.000 0.266 416 T C 1.888 176.522 174.700 -0.109 0.000 1.040 416 T CA 1.418 63.466 62.100 -0.087 0.000 1.141 416 T CB -0.577 68.230 68.868 -0.102 0.000 0.868 416 T HN 0.384 nan 8.240 nan 0.000 0.444 417 M N 0.069 119.536 119.600 -0.222 0.000 2.446 417 M HA 0.079 4.559 4.480 0.000 0.000 0.263 417 M C 0.061 176.351 176.300 -0.017 0.000 1.066 417 M CA 1.139 56.324 55.300 -0.192 0.000 1.087 417 M CB -0.377 32.070 32.600 -0.255 0.000 1.406 417 M HN 0.224 nan 8.290 nan 0.000 0.459 418 F N 1.572 121.529 119.950 0.011 0.000 2.798 418 F HA 0.285 4.812 4.527 0.000 0.000 0.291 418 F C 1.040 176.841 175.800 0.002 0.000 1.174 418 F CA -0.260 57.746 58.000 0.009 0.000 1.392 418 F CB -0.644 38.364 39.000 0.014 0.000 0.966 418 F HN 0.166 nan 8.300 nan 0.000 0.509 419 R N 0.000 120.592 120.500 0.153 0.000 2.786 419 R HA 0.000 4.340 4.340 0.000 0.000 0.208 419 R CA 0.000 56.152 56.100 0.087 0.000 0.921 419 R CB 0.000 30.339 30.300 0.065 0.000 0.687 419 R HN 0.000 nan 8.270 nan 0.000 0.535