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 4kbp_1_D DATA FIRST_RESID 9 DATA SEQUENCE RDMPLDSDVF RVPPGYNAPQ QVHITQGDLV GRAMIISWVT MDEPGSSAVR DATA SEQUENCE YWSEKNGRKR IAKGKMSTYR FFNYSSGFIH HTTIRKLKYN TKYYYEVGLR DATA SEQUENCE NTTRRFSFIT PPQTGLDVPY TFGLIGDLGQ SFDSNTTLSH YELSPKKGQT DATA SEQUENCE VLFVGDLSYA DRYPNHDNVR WDTWGRFTER SVAYQPWIWT AGNHEIEFAP DATA SEQUENCE EINETEPFKP FSYRYHVPYE ASQSTSPFWY SIKRASAHII VLSSYSAYGR DATA SEQUENCE GTPQYTWLKK ELRKVKRSET PWLIVLMHSP LYNSYNHHFM EGEAMRTKFE DATA SEQUENCE AWFVKYKVDV VFAGHVHAYE RSERVSNIAY KITDGLCTPV KDQSAPVYIT DATA SEQUENCE IGDAGNYGVI DSNMIQPQPE YSAFREASFG HGMFDIKNRT HAHFSWNRNQ DATA SEQUENCE DGVAVEADSV WFFNRHWYPV DDST 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 9 R HA 0.000 nan 4.340 nan 0.000 0.208 9 R C 0.000 176.377 176.300 0.128 0.000 0.893 9 R CA 0.000 56.222 56.100 0.203 0.000 0.921 9 R CB 0.000 30.462 30.300 0.270 0.000 0.687 10 D N 3.407 123.840 120.400 0.057 0.000 2.348 10 D HA 0.193 4.833 4.640 -0.000 0.000 0.253 10 D C 0.788 176.977 176.300 -0.185 0.000 1.161 10 D CA 0.097 54.078 54.000 -0.033 0.000 0.876 10 D CB 1.007 41.878 40.800 0.119 0.000 1.160 10 D HN 0.338 nan 8.370 nan 0.000 0.459 11 M N 4.357 123.660 119.600 -0.495 0.000 2.251 11 M HA 0.070 4.550 4.480 -0.000 0.000 0.343 11 M C -1.867 174.418 176.300 -0.025 0.000 1.245 11 M CA -0.863 54.051 55.300 -0.643 0.000 1.061 11 M CB -0.006 32.115 32.600 -0.799 0.000 1.723 11 M HN 0.072 nan 8.290 nan 0.000 0.449 12 P HA 0.035 nan 4.420 nan 0.000 0.272 12 P C 0.490 177.955 177.300 0.276 0.000 1.223 12 P CA -0.122 63.066 63.100 0.147 0.000 0.784 12 P CB 0.758 32.536 31.700 0.129 0.000 0.923 13 L N 1.173 122.511 121.223 0.191 0.000 2.197 13 L HA -0.213 4.127 4.340 -0.000 0.000 0.215 13 L C 2.024 179.060 176.870 0.277 0.000 1.095 13 L CA 1.922 56.869 54.840 0.178 0.000 0.764 13 L CB -0.866 41.213 42.059 0.034 0.000 0.897 13 L HN 0.517 nan 8.230 nan 0.000 0.436 14 D N -1.383 119.132 120.400 0.191 0.000 2.317 14 D HA -0.065 4.575 4.640 -0.000 0.000 0.211 14 D C 0.726 177.094 176.300 0.112 0.000 0.966 14 D CA 0.102 54.188 54.000 0.143 0.000 0.876 14 D CB -0.155 40.700 40.800 0.093 0.000 0.927 14 D HN 0.153 nan 8.370 nan 0.000 0.519 15 S N 2.919 118.662 115.700 0.071 0.000 2.810 15 S HA -0.102 4.368 4.470 -0.000 0.000 0.329 15 S C 1.349 175.864 174.600 -0.142 0.000 1.231 15 S CA 0.329 58.447 58.200 -0.136 0.000 1.042 15 S CB 0.654 63.561 63.200 -0.488 0.000 0.756 15 S HN 0.374 nan 8.310 nan 0.000 0.504 16 D N 2.878 123.224 120.400 -0.089 0.000 2.220 16 D HA -0.171 4.469 4.640 -0.000 0.000 0.198 16 D C 1.640 177.902 176.300 -0.063 0.000 1.001 16 D CA 0.937 54.912 54.000 -0.040 0.000 0.875 16 D CB -0.332 40.453 40.800 -0.024 0.000 0.921 16 D HN 0.412 nan 8.370 nan 0.000 0.454 17 V N -0.123 119.653 119.914 -0.231 0.000 2.490 17 V HA -0.203 3.917 4.120 -0.000 0.000 0.250 17 V C 1.476 177.527 176.094 -0.072 0.000 1.061 17 V CA 1.207 63.362 62.300 -0.241 0.000 1.064 17 V CB -0.570 30.953 31.823 -0.498 0.000 0.670 17 V HN 0.034 nan 8.190 nan 0.000 0.461 18 F N 0.313 120.279 119.950 0.027 0.000 2.732 18 F HA 0.361 4.888 4.527 -0.000 0.000 0.303 18 F C 1.297 177.132 175.800 0.058 0.000 1.110 18 F CA -0.785 57.243 58.000 0.047 0.000 1.355 18 F CB -0.779 38.229 39.000 0.013 0.000 1.081 18 F HN 0.001 nan 8.300 nan 0.000 0.565 19 R N 0.623 121.247 120.500 0.207 0.000 2.640 19 R HA 0.190 4.530 4.340 -0.000 0.000 0.270 19 R C -0.079 176.308 176.300 0.145 0.000 1.024 19 R CA -0.161 56.028 56.100 0.149 0.000 1.085 19 R CB 0.867 31.230 30.300 0.104 0.000 0.963 19 R HN 0.034 nan 8.270 nan 0.000 0.426 20 V N 5.459 125.445 119.914 0.120 0.000 2.432 20 V HA 0.311 4.431 4.120 -0.000 0.000 0.275 20 V C -1.888 174.264 176.094 0.097 0.000 1.043 20 V CA -2.134 60.232 62.300 0.110 0.000 0.925 20 V CB 1.165 33.044 31.823 0.093 0.000 0.985 20 V HN 0.698 nan 8.190 nan 0.000 0.466 21 P HA 0.190 nan 4.420 nan 0.000 0.262 21 P C -2.626 174.718 177.300 0.072 0.000 1.182 21 P CA -0.620 62.534 63.100 0.089 0.000 0.761 21 P CB -0.053 31.710 31.700 0.104 0.000 0.795 22 P HA 0.320 nan 4.420 nan 0.000 0.275 22 P C 0.101 177.435 177.300 0.056 0.000 1.228 22 P CA 0.448 63.583 63.100 0.058 0.000 0.786 22 P CB 0.814 32.544 31.700 0.050 0.000 0.927 23 G N 0.984 109.826 108.800 0.069 0.000 2.465 23 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.681 23 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.681 23 G C -1.811 173.155 174.900 0.110 0.000 1.340 23 G CA -1.002 44.150 45.100 0.086 0.000 0.884 23 G HN 0.544 nan 8.290 nan 0.000 0.650 24 Y N 2.835 123.158 120.300 0.038 0.000 2.496 24 Y HA 0.420 4.970 4.550 -0.000 0.000 0.334 24 Y C 1.354 177.289 175.900 0.057 0.000 1.080 24 Y CA 0.882 59.008 58.100 0.044 0.000 1.355 24 Y CB 0.266 38.746 38.460 0.033 0.000 1.193 24 Y HN 0.988 nan 8.280 nan 0.000 0.523 25 N N 3.698 122.028 118.700 -0.617 0.000 2.708 25 N HA -0.225 4.515 4.740 -0.000 0.000 0.255 25 N C -1.292 174.146 175.510 -0.120 0.000 1.046 25 N CA 0.258 53.036 53.050 -0.453 0.000 0.715 25 N CB -0.725 37.368 38.487 -0.657 0.000 0.895 25 N HN 0.775 nan 8.380 nan 0.000 0.545 26 A N 1.576 124.372 122.820 -0.041 0.000 2.320 26 A HA 0.506 4.826 4.320 -0.000 0.000 0.287 26 A C -2.129 175.506 177.584 0.085 0.000 1.181 26 A CA -1.086 50.969 52.037 0.030 0.000 0.831 26 A CB 0.582 19.608 19.000 0.043 0.000 1.102 26 A HN 0.184 nan 8.150 nan 0.000 0.513 27 P HA 0.060 nan 4.420 nan 0.000 0.260 27 P C -0.401 177.025 177.300 0.209 0.000 1.185 27 P CA 0.598 63.810 63.100 0.187 0.000 0.763 27 P CB 0.309 31.995 31.700 -0.024 0.000 0.776 28 Q N 1.857 121.808 119.800 0.252 0.000 2.587 28 Q HA 0.441 4.781 4.340 -0.000 0.000 0.293 28 Q C -0.677 175.456 176.000 0.223 0.000 1.083 28 Q CA -1.000 54.925 55.803 0.205 0.000 0.792 28 Q CB 1.242 30.076 28.738 0.161 0.000 1.484 28 Q HN 0.237 nan 8.270 nan 0.000 0.446 29 Q N -0.890 119.019 119.800 0.182 0.000 2.487 29 Q HA -0.116 4.224 4.340 -0.000 0.000 0.279 29 Q C -0.855 175.298 176.000 0.254 0.000 1.228 29 Q CA 0.497 56.409 55.803 0.182 0.000 0.873 29 Q CB -1.837 27.003 28.738 0.170 0.000 1.260 29 Q HN 0.485 nan 8.270 nan 0.000 0.471 30 V N 1.364 121.363 119.914 0.142 0.000 2.637 30 V HA 0.255 4.375 4.120 -0.000 0.000 0.296 30 V C 0.311 176.446 176.094 0.068 0.000 1.046 30 V CA 0.763 63.089 62.300 0.043 0.000 1.066 30 V CB 0.423 32.046 31.823 -0.334 0.000 0.968 30 V HN 0.461 nan 8.190 nan 0.000 0.483 31 H N 2.760 121.795 119.070 -0.058 0.000 3.079 31 H HA 0.799 5.355 4.556 -0.000 0.000 0.356 31 H C -0.847 174.493 175.328 0.019 0.000 1.221 31 H CA -1.140 54.894 56.048 -0.023 0.000 1.185 31 H CB 1.451 31.274 29.762 0.101 0.000 1.882 31 H HN 0.639 nan 8.280 nan 0.000 0.543 32 I N -0.309 120.315 120.570 0.090 0.000 3.067 32 I HA 0.942 5.112 4.170 -0.000 0.000 0.312 32 I C -1.213 174.978 176.117 0.123 0.000 1.073 32 I CA -0.833 60.458 61.300 -0.015 0.000 1.016 32 I CB 2.753 40.645 38.000 -0.180 0.000 1.227 32 I HN 0.810 nan 8.210 nan 0.000 0.456 33 T N 0.526 115.097 114.554 0.028 0.000 2.739 33 T HA 0.226 4.576 4.350 -0.000 0.000 0.303 33 T C -1.119 173.555 174.700 -0.043 0.000 1.389 33 T CA -0.684 61.461 62.100 0.075 0.000 1.001 33 T CB 1.378 70.357 68.868 0.184 0.000 1.436 33 T HN 0.810 nan 8.240 nan 0.000 0.500 34 Q N -0.053 119.742 119.800 -0.007 0.000 2.332 34 Q HA 0.485 4.825 4.340 -0.000 0.000 0.263 34 Q C 0.942 176.898 176.000 -0.073 0.000 0.979 34 Q CA 0.121 55.893 55.803 -0.052 0.000 0.885 34 Q CB 0.436 29.178 28.738 0.008 0.000 1.218 34 Q HN 0.959 nan 8.270 nan 0.000 0.405 35 G N 3.124 111.848 108.800 -0.126 0.000 3.126 35 G HA2 0.045 4.005 3.960 -0.000 0.000 0.224 35 G HA3 0.045 4.005 3.960 -0.000 0.000 0.224 35 G C -0.435 174.393 174.900 -0.121 0.000 1.142 35 G CA 0.328 45.347 45.100 -0.136 0.000 0.759 35 G HN 0.798 nan 8.290 nan 0.000 0.550 36 D N -1.302 119.044 120.400 -0.090 0.000 2.798 36 D HA 0.210 4.850 4.640 -0.000 0.000 0.308 36 D C 0.857 177.143 176.300 -0.025 0.000 1.187 36 D CA -0.945 53.014 54.000 -0.067 0.000 1.033 36 D CB 0.588 41.345 40.800 -0.072 0.000 1.445 36 D HN -0.181 nan 8.370 nan 0.000 0.550 37 L N 0.058 121.277 121.223 -0.007 0.000 2.240 37 L HA 0.110 4.450 4.340 -0.000 0.000 0.211 37 L C 1.458 178.337 176.870 0.015 0.000 1.106 37 L CA 1.663 56.512 54.840 0.015 0.000 0.793 37 L CB -0.031 42.043 42.059 0.025 0.000 0.927 37 L HN 0.536 nan 8.230 nan 0.000 0.446 38 V N -4.326 115.609 119.914 0.034 0.000 3.346 38 V HA 0.659 4.779 4.120 -0.000 0.000 0.309 38 V C 1.048 177.231 176.094 0.148 0.000 1.457 38 V CA 0.391 62.743 62.300 0.087 0.000 1.069 38 V CB 0.105 32.012 31.823 0.139 0.000 0.944 38 V HN 0.384 nan 8.190 nan 0.000 0.449 39 G N 2.370 111.206 108.800 0.060 0.000 2.231 39 G HA2 -0.206 3.753 3.960 -0.000 0.000 0.206 39 G HA3 -0.206 3.753 3.960 -0.000 0.000 0.206 39 G C 0.727 175.571 174.900 -0.094 0.000 0.996 39 G CA 0.016 45.149 45.100 0.055 0.000 0.645 39 G HN 0.856 nan 8.290 nan 0.000 0.498 40 R N -0.074 120.303 120.500 -0.205 0.000 3.039 40 R HA 0.756 5.096 4.340 -0.000 0.000 0.336 40 R C 0.096 176.265 176.300 -0.218 0.000 1.258 40 R CA 0.449 56.370 56.100 -0.297 0.000 1.125 40 R CB 0.437 30.439 30.300 -0.495 0.000 1.427 40 R HN 1.234 nan 8.270 nan 0.000 0.588 41 A N 1.313 124.008 122.820 -0.208 0.000 2.577 41 A HA 0.634 4.954 4.320 -0.000 0.000 0.297 41 A C -1.246 176.174 177.584 -0.274 0.000 1.060 41 A CA -0.863 51.038 52.037 -0.226 0.000 0.697 41 A CB 1.837 20.735 19.000 -0.170 0.000 1.281 41 A HN 0.215 nan 8.150 nan 0.000 0.402 42 M N 1.712 121.103 119.600 -0.349 0.000 2.572 42 M HA 0.547 5.027 4.480 -0.000 0.000 0.299 42 M C -1.140 174.971 176.300 -0.316 0.000 1.205 42 M CA -0.387 54.663 55.300 -0.418 0.000 0.876 42 M CB 1.755 33.899 32.600 -0.760 0.000 1.728 42 M HN 0.646 nan 8.290 nan 0.000 0.458 43 I N 3.852 124.273 120.570 -0.248 0.000 2.355 43 I HA 0.339 4.509 4.170 -0.000 0.000 0.288 43 I C -0.491 175.513 176.117 -0.189 0.000 0.999 43 I CA -0.626 60.571 61.300 -0.172 0.000 1.163 43 I CB 1.099 39.038 38.000 -0.102 0.000 1.316 43 I HN 0.384 nan 8.210 nan 0.000 0.454 44 I N 5.291 125.757 120.570 -0.172 0.000 2.353 44 I HA 0.389 4.559 4.170 -0.000 0.000 0.293 44 I C 0.083 176.216 176.117 0.027 0.000 0.992 44 I CA -0.117 61.094 61.300 -0.148 0.000 1.268 44 I CB 1.182 39.079 38.000 -0.171 0.000 1.387 44 I HN 0.450 nan 8.210 nan 0.000 0.478 45 S N 6.196 121.840 115.700 -0.093 0.000 2.541 45 S HA 0.773 5.243 4.470 -0.000 0.000 0.280 45 S C -1.035 173.503 174.600 -0.104 0.000 1.112 45 S CA -0.736 57.262 58.200 -0.337 0.000 0.925 45 S CB 2.267 64.975 63.200 -0.819 0.000 1.067 45 S HN 0.742 nan 8.310 nan 0.000 0.479 46 W N 0.140 121.259 121.300 -0.302 0.000 2.874 46 W HA 0.830 5.490 4.660 -0.000 0.000 0.403 46 W C -2.469 174.049 176.519 -0.003 0.000 1.144 46 W CA -1.040 56.245 57.345 -0.100 0.000 1.175 46 W CB 0.433 29.872 29.460 -0.034 0.000 1.483 46 W HN 0.460 nan 8.180 nan 0.000 0.591 47 V N 1.864 121.904 119.914 0.210 0.000 2.760 47 V HA 0.696 4.816 4.120 -0.000 0.000 0.309 47 V C -0.412 175.854 176.094 0.288 0.000 1.077 47 V CA -0.588 61.777 62.300 0.107 0.000 0.910 47 V CB 1.931 33.780 31.823 0.043 0.000 1.008 47 V HN 0.681 nan 8.190 nan 0.000 0.424 48 T N 2.124 116.859 114.554 0.302 0.000 2.829 48 T HA 0.601 4.951 4.350 -0.000 0.000 0.280 48 T C 0.378 175.219 174.700 0.235 0.000 0.999 48 T CA -0.759 61.524 62.100 0.305 0.000 0.983 48 T CB 1.840 70.949 68.868 0.401 0.000 0.968 48 T HN 0.401 nan 8.240 nan 0.000 0.446 49 M N 0.912 120.586 119.600 0.123 0.000 2.571 49 M HA 0.134 4.613 4.480 -0.000 0.000 0.259 49 M C 0.785 177.147 176.300 0.103 0.000 1.205 49 M CA 0.291 55.622 55.300 0.052 0.000 1.138 49 M CB -0.272 32.325 32.600 -0.005 0.000 1.329 49 M HN 0.633 nan 8.290 nan 0.000 0.503 50 D N 1.934 122.346 120.400 0.020 0.000 2.120 50 D HA -0.019 4.621 4.640 -0.000 0.000 0.202 50 D C 0.399 176.764 176.300 0.109 0.000 0.972 50 D CA 1.107 55.084 54.000 -0.038 0.000 0.837 50 D CB 0.369 40.872 40.800 -0.496 0.000 0.989 50 D HN 0.546 nan 8.370 nan 0.000 0.469 51 E N -1.756 118.476 120.200 0.053 0.000 2.407 51 E HA 0.271 4.621 4.350 -0.000 0.000 0.279 51 E C -2.579 173.801 176.600 -0.367 0.000 1.012 51 E CA -1.527 54.812 56.400 -0.102 0.000 0.800 51 E CB 1.869 31.561 29.700 -0.014 0.000 1.276 51 E HN -0.358 nan 8.360 nan 0.000 0.452 52 P HA -0.259 nan 4.420 nan 0.000 0.221 52 P C 0.667 177.921 177.300 -0.078 0.000 1.160 52 P CA 3.108 65.704 63.100 -0.841 0.000 0.933 52 P CB -0.245 31.070 31.700 -0.643 0.000 0.793 53 G N -2.243 106.533 108.800 -0.039 0.000 2.782 53 G HA2 -0.140 3.820 3.960 -0.000 0.000 0.228 53 G HA3 -0.140 3.820 3.960 -0.000 0.000 0.228 53 G C -0.258 174.688 174.900 0.075 0.000 1.372 53 G CA -0.270 44.862 45.100 0.053 0.000 0.862 53 G HN 0.407 nan 8.290 nan 0.000 0.547 54 S N -1.181 114.551 115.700 0.054 0.000 2.585 54 S HA 0.655 5.125 4.470 -0.000 0.000 0.277 54 S C 1.089 175.751 174.600 0.103 0.000 1.241 54 S CA 0.477 58.724 58.200 0.077 0.000 1.041 54 S CB 1.254 64.497 63.200 0.071 0.000 0.987 54 S HN 1.315 nan 8.310 nan 0.000 0.512 55 S N 2.745 118.546 115.700 0.167 0.000 2.583 55 S HA 0.395 4.865 4.470 -0.000 0.000 0.239 55 S C 0.355 175.144 174.600 0.315 0.000 0.966 55 S CA -0.360 57.999 58.200 0.265 0.000 0.973 55 S CB -0.012 63.312 63.200 0.207 0.000 0.794 55 S HN 0.821 nan 8.310 nan 0.000 0.463 56 A N 1.188 124.144 122.820 0.226 0.000 2.302 56 A HA 0.706 5.026 4.320 -0.000 0.000 0.285 56 A C -0.223 177.463 177.584 0.169 0.000 1.105 56 A CA -0.330 51.816 52.037 0.181 0.000 0.816 56 A CB 0.615 19.690 19.000 0.125 0.000 1.067 56 A HN 0.238 nan 8.150 nan 0.000 0.489 57 V N 1.963 121.984 119.914 0.177 0.000 2.588 57 V HA 0.487 4.607 4.120 -0.000 0.000 0.304 57 V C 0.078 176.341 176.094 0.282 0.000 1.042 57 V CA -0.618 61.776 62.300 0.156 0.000 0.877 57 V CB 1.654 33.556 31.823 0.133 0.000 0.996 57 V HN 0.994 nan 8.190 nan 0.000 0.425 58 R N 4.127 124.807 120.500 0.299 0.000 2.346 58 R HA 0.689 5.029 4.340 -0.000 0.000 0.311 58 R C -1.561 175.079 176.300 0.565 0.000 0.983 58 R CA -0.379 55.950 56.100 0.382 0.000 0.880 58 R CB 1.315 31.800 30.300 0.307 0.000 1.100 58 R HN 0.789 nan 8.270 nan 0.000 0.453 59 Y N 1.521 122.067 120.300 0.410 0.000 2.581 59 Y HA 0.728 5.278 4.550 -0.000 0.000 0.337 59 Y C -1.930 174.300 175.900 0.550 0.000 1.108 59 Y CA -1.639 56.663 58.100 0.336 0.000 1.033 59 Y CB 0.912 39.489 38.460 0.195 0.000 1.318 59 Y HN 0.758 nan 8.280 nan 0.000 0.459 60 W N 0.869 122.360 121.300 0.318 0.000 3.146 60 W HA 0.757 5.417 4.660 -0.000 0.000 0.319 60 W C -1.739 174.923 176.519 0.239 0.000 1.258 60 W CA -1.075 56.384 57.345 0.189 0.000 1.189 60 W CB 0.735 30.229 29.460 0.057 0.000 1.412 60 W HN 0.836 nan 8.180 nan 0.000 0.567 61 S N -0.051 115.725 115.700 0.126 0.000 2.616 61 S HA 0.222 4.692 4.470 -0.000 0.000 0.277 61 S C 0.631 175.234 174.600 0.006 0.000 1.234 61 S CA 0.011 57.996 58.200 -0.357 0.000 1.028 61 S CB 1.967 64.836 63.200 -0.551 0.000 0.988 61 S HN 0.796 nan 8.310 nan 0.000 0.522 62 E N 1.623 121.778 120.200 -0.075 0.000 2.085 62 E HA -0.247 4.103 4.350 -0.000 0.000 0.194 62 E C 1.702 178.370 176.600 0.113 0.000 0.994 62 E CA 1.831 58.314 56.400 0.138 0.000 0.801 62 E CB -0.112 29.617 29.700 0.050 0.000 0.743 62 E HN 0.843 nan 8.360 nan 0.000 0.453 63 K N 0.466 120.881 120.400 0.025 0.000 1.974 63 K HA -0.083 4.237 4.320 -0.000 0.000 0.211 63 K C 1.294 177.925 176.600 0.052 0.000 1.039 63 K CA 1.170 57.476 56.287 0.031 0.000 0.947 63 K CB -0.497 32.005 32.500 0.003 0.000 0.735 63 K HN -0.069 nan 8.250 nan 0.000 0.441 64 N N 1.314 120.044 118.700 0.049 0.000 2.663 64 N HA 0.030 4.770 4.740 -0.000 0.000 0.250 64 N C 0.274 175.851 175.510 0.112 0.000 1.129 64 N CA -0.214 52.874 53.050 0.063 0.000 0.995 64 N CB 0.834 39.356 38.487 0.058 0.000 1.324 64 N HN 0.488 nan 8.380 nan 0.000 0.512 65 G N 2.435 111.298 108.800 0.105 0.000 2.780 65 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.205 65 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.205 65 G C 0.791 175.698 174.900 0.012 0.000 1.158 65 G CA -0.238 44.929 45.100 0.111 0.000 0.812 65 G HN 0.647 nan 8.290 nan 0.000 0.521 66 R N 1.072 121.600 120.500 0.047 0.000 2.446 66 R HA 0.067 4.407 4.340 -0.000 0.000 0.325 66 R C -0.247 176.064 176.300 0.019 0.000 0.997 66 R CA 0.017 56.118 56.100 0.001 0.000 1.010 66 R CB 0.107 30.417 30.300 0.017 0.000 0.946 66 R HN 0.099 nan 8.270 nan 0.000 0.422 67 K N 5.277 125.633 120.400 -0.074 0.000 2.339 67 K HA 0.134 4.454 4.320 -0.000 0.000 0.286 67 K C -0.225 176.329 176.600 -0.078 0.000 1.050 67 K CA -0.014 56.247 56.287 -0.042 0.000 0.956 67 K CB 1.025 33.400 32.500 -0.209 0.000 0.990 67 K HN 0.523 nan 8.250 nan 0.000 0.475 68 R N 2.092 122.477 120.500 -0.192 0.000 2.892 68 R HA 0.589 4.929 4.340 -0.000 0.000 0.265 68 R C -0.389 175.822 176.300 -0.149 0.000 1.025 68 R CA -0.795 55.145 56.100 -0.267 0.000 0.982 68 R CB 1.431 31.422 30.300 -0.515 0.000 1.185 68 R HN 0.438 nan 8.270 nan 0.000 0.484 69 I N 0.890 121.478 120.570 0.031 0.000 2.498 69 I HA 0.505 4.675 4.170 -0.000 0.000 0.290 69 I C -0.764 175.501 176.117 0.247 0.000 1.032 69 I CA -0.772 60.633 61.300 0.174 0.000 1.073 69 I CB 2.113 40.180 38.000 0.112 0.000 1.251 69 I HN 0.697 nan 8.210 nan 0.000 0.426 70 A N 6.611 129.613 122.820 0.302 0.000 2.337 70 A HA 0.704 5.024 4.320 -0.000 0.000 0.329 70 A C -0.756 176.922 177.584 0.157 0.000 1.146 70 A CA -0.629 51.537 52.037 0.214 0.000 0.800 70 A CB 1.375 20.475 19.000 0.167 0.000 1.220 70 A HN 0.506 nan 8.150 nan 0.000 0.472 71 K N 1.444 121.913 120.400 0.115 0.000 2.307 71 K HA 0.541 4.861 4.320 -0.000 0.000 0.263 71 K C 0.367 177.020 176.600 0.087 0.000 0.973 71 K CA 0.003 56.354 56.287 0.106 0.000 0.846 71 K CB 1.500 34.049 32.500 0.082 0.000 1.100 71 K HN 0.928 nan 8.250 nan 0.000 0.438 72 G N 2.327 111.191 108.800 0.107 0.000 2.782 72 G HA2 0.469 4.429 3.960 -0.000 0.000 0.201 72 G HA3 0.469 4.429 3.960 -0.000 0.000 0.201 72 G C -0.706 174.220 174.900 0.044 0.000 1.374 72 G CA -0.284 44.856 45.100 0.066 0.000 1.039 72 G HN 0.440 nan 8.290 nan 0.000 0.576 73 K N -0.859 119.546 120.400 0.008 0.000 2.444 73 K HA 0.535 4.855 4.320 -0.000 0.000 0.252 73 K C -0.998 175.560 176.600 -0.070 0.000 0.993 73 K CA -0.730 55.553 56.287 -0.006 0.000 0.847 73 K CB 2.564 35.063 32.500 -0.002 0.000 1.340 73 K HN 0.365 nan 8.250 nan 0.000 0.446 74 M N 1.503 121.054 119.600 -0.081 0.000 2.535 74 M HA 0.410 4.890 4.480 -0.000 0.000 0.314 74 M C -1.399 174.827 176.300 -0.123 0.000 1.153 74 M CA -0.264 54.904 55.300 -0.221 0.000 0.924 74 M CB 2.033 34.510 32.600 -0.206 0.000 1.710 74 M HN 0.819 nan 8.290 nan 0.000 0.451 75 S N 1.563 117.172 115.700 -0.151 0.000 2.607 75 S HA 0.909 5.379 4.470 -0.000 0.000 0.273 75 S C -0.852 173.731 174.600 -0.027 0.000 1.148 75 S CA -0.664 57.538 58.200 0.004 0.000 0.833 75 S CB 2.039 65.330 63.200 0.151 0.000 1.130 75 S HN 0.826 nan 8.310 nan 0.000 0.470 76 T N -1.175 113.378 114.554 -0.002 0.000 2.868 76 T HA 0.796 5.146 4.350 -0.000 0.000 0.306 76 T C -1.342 173.234 174.700 -0.207 0.000 1.224 76 T CA -0.835 61.171 62.100 -0.156 0.000 1.012 76 T CB 1.292 70.045 68.868 -0.192 0.000 1.221 76 T HN 1.474 nan 8.240 nan 0.000 0.499 77 Y N -0.998 119.026 120.300 -0.460 0.000 2.625 77 Y HA 0.844 5.394 4.550 -0.000 0.000 0.338 77 Y C -1.181 174.560 175.900 -0.265 0.000 1.123 77 Y CA -1.480 56.293 58.100 -0.545 0.000 1.046 77 Y CB 1.612 39.359 38.460 -1.189 0.000 1.299 77 Y HN 0.806 nan 8.280 nan 0.000 0.464 78 R N 1.910 122.351 120.500 -0.098 0.000 2.599 78 R HA 0.402 4.742 4.340 -0.000 0.000 0.295 78 R C -0.859 175.571 176.300 0.218 0.000 0.963 78 R CA -0.672 55.377 56.100 -0.085 0.000 0.883 78 R CB 1.926 32.164 30.300 -0.102 0.000 1.171 78 R HN 0.790 nan 8.270 nan 0.000 0.450 79 F N 1.579 121.669 119.950 0.234 0.000 2.304 79 F HA 0.188 4.715 4.527 -0.000 0.000 0.267 79 F C 0.982 176.937 175.800 0.259 0.000 1.062 79 F CA 0.745 58.928 58.000 0.305 0.000 1.112 79 F CB -0.031 39.180 39.000 0.351 0.000 1.118 79 F HN 0.475 nan 8.300 nan 0.000 0.575 80 F N 0.994 120.917 119.950 -0.045 0.000 2.083 80 F HA 0.195 4.722 4.527 -0.000 0.000 0.225 80 F C 1.298 177.075 175.800 -0.039 0.000 1.146 80 F CA 0.366 58.255 58.000 -0.184 0.000 1.267 80 F CB -0.880 38.020 39.000 -0.166 0.000 1.684 80 F HN 0.044 nan 8.300 nan 0.000 0.436 81 N N -0.081 118.442 118.700 -0.295 0.000 2.268 81 N HA 0.023 4.763 4.740 -0.000 0.000 0.204 81 N C -0.560 174.935 175.510 -0.025 0.000 1.124 81 N CA -0.171 52.681 53.050 -0.330 0.000 0.838 81 N CB -0.909 37.349 38.487 -0.382 0.000 0.994 81 N HN 0.445 nan 8.380 nan 0.000 0.489 82 Y N 0.991 121.288 120.300 -0.005 0.000 2.354 82 Y HA 0.581 5.131 4.550 -0.000 0.000 0.322 82 Y C -0.572 175.246 175.900 -0.136 0.000 1.253 82 Y CA -0.795 57.298 58.100 -0.013 0.000 1.272 82 Y CB 1.437 39.966 38.460 0.114 0.000 1.255 82 Y HN -0.027 nan 8.280 nan 0.000 0.500 83 S N 2.946 117.979 115.700 -1.113 0.000 2.720 83 S HA 0.293 4.763 4.470 -0.000 0.000 0.278 83 S C -0.898 172.882 174.600 -1.367 0.000 1.172 83 S CA -0.903 56.714 58.200 -0.971 0.000 1.019 83 S CB 0.840 63.696 63.200 -0.573 0.000 1.049 83 S HN 0.862 nan 8.310 nan 0.000 0.483 84 S N 2.672 117.653 115.700 -1.199 0.000 2.598 84 S HA 0.602 5.072 4.470 -0.000 0.000 0.256 84 S C 0.916 175.054 174.600 -0.769 0.000 1.350 84 S CA -0.077 57.579 58.200 -0.907 0.000 0.984 84 S CB 0.223 62.924 63.200 -0.832 0.000 0.930 84 S HN 0.849 nan 8.310 nan 0.000 0.577 85 G N -0.540 107.897 108.800 -0.605 0.000 2.630 85 G HA2 0.550 4.510 3.960 -0.000 0.000 0.223 85 G HA3 0.550 4.510 3.960 -0.000 0.000 0.223 85 G C -1.040 173.306 174.900 -0.923 0.000 1.434 85 G CA -1.027 43.614 45.100 -0.764 0.000 1.057 85 G HN 0.588 nan 8.290 nan 0.000 0.570 86 F N 0.382 120.212 119.950 -0.200 0.000 2.361 86 F HA 0.461 4.988 4.527 -0.000 0.000 0.364 86 F C 0.452 175.926 175.800 -0.544 0.000 1.120 86 F CA -0.545 57.253 58.000 -0.337 0.000 1.102 86 F CB 1.137 39.977 39.000 -0.267 0.000 1.183 86 F HN -0.006 nan 8.300 nan 0.000 0.476 87 I N 3.972 124.264 120.570 -0.464 0.000 2.395 87 I HA 0.242 4.412 4.170 -0.000 0.000 0.289 87 I C -0.437 175.104 176.117 -0.959 0.000 1.023 87 I CA -0.343 60.600 61.300 -0.594 0.000 1.350 87 I CB 0.685 38.458 38.000 -0.377 0.000 1.409 87 I HN 0.556 nan 8.210 nan 0.000 0.507 88 H N 4.302 122.758 119.070 -1.023 0.000 2.538 88 H HA 0.533 5.089 4.556 -0.000 0.000 0.353 88 H C -0.930 173.610 175.328 -1.313 0.000 1.109 88 H CA -0.642 54.673 56.048 -1.221 0.000 1.192 88 H CB 1.286 29.863 29.762 -1.974 0.000 1.555 88 H HN 0.435 nan 8.280 nan 0.000 0.518 89 H N 2.059 120.812 119.070 -0.527 0.000 2.924 89 H HA 0.330 4.886 4.556 -0.000 0.000 0.333 89 H C -0.821 174.382 175.328 -0.208 0.000 0.979 89 H CA -0.542 55.257 56.048 -0.416 0.000 1.326 89 H CB 1.668 31.116 29.762 -0.522 0.000 1.600 89 H HN 0.600 nan 8.280 nan 0.000 0.520 90 T N 2.778 117.343 114.554 0.018 0.000 2.848 90 T HA 0.316 4.666 4.350 -0.000 0.000 0.285 90 T C 0.120 174.811 174.700 -0.015 0.000 0.995 90 T CA -0.575 61.559 62.100 0.056 0.000 0.970 90 T CB 1.627 70.610 68.868 0.191 0.000 0.976 90 T HN 0.387 nan 8.240 nan 0.000 0.441 91 T N 3.736 118.261 114.554 -0.048 0.000 2.758 91 T HA 0.532 4.882 4.350 -0.000 0.000 0.285 91 T C 0.185 174.805 174.700 -0.134 0.000 0.981 91 T CA -0.488 61.547 62.100 -0.109 0.000 0.965 91 T CB 0.359 69.164 68.868 -0.105 0.000 0.927 91 T HN 0.417 nan 8.240 nan 0.000 0.448 92 I N 3.786 124.219 120.570 -0.228 0.000 2.331 92 I HA 0.441 4.611 4.170 -0.000 0.000 0.292 92 I C 0.670 176.633 176.117 -0.257 0.000 0.998 92 I CA -0.639 60.471 61.300 -0.316 0.000 1.267 92 I CB 1.073 38.730 38.000 -0.573 0.000 1.386 92 I HN 0.388 nan 8.210 nan 0.000 0.476 93 R N 4.183 124.586 120.500 -0.161 0.000 2.923 93 R HA 0.495 4.835 4.340 -0.000 0.000 0.252 93 R C -0.454 175.800 176.300 -0.078 0.000 1.130 93 R CA -1.068 54.962 56.100 -0.118 0.000 1.043 93 R CB 0.947 31.206 30.300 -0.068 0.000 1.205 93 R HN 0.383 nan 8.270 nan 0.000 0.495 94 K N 0.975 121.329 120.400 -0.076 0.000 3.257 94 K HA -0.208 4.112 4.320 -0.000 0.000 0.270 94 K C -0.599 175.984 176.600 -0.028 0.000 0.984 94 K CA 0.330 56.590 56.287 -0.044 0.000 0.739 94 K CB -1.698 30.809 32.500 0.011 0.000 1.351 94 K HN 0.388 nan 8.250 nan 0.000 0.463 95 L N 0.385 121.543 121.223 -0.108 0.000 2.456 95 L HA 0.267 4.607 4.340 -0.000 0.000 0.257 95 L C 0.779 177.647 176.870 -0.003 0.000 1.162 95 L CA -0.719 54.081 54.840 -0.066 0.000 0.808 95 L CB 0.463 42.384 42.059 -0.230 0.000 1.136 95 L HN 0.018 nan 8.230 nan 0.000 0.466 96 K N 0.251 120.782 120.400 0.219 0.000 2.144 96 K HA 0.329 4.649 4.320 -0.000 0.000 0.270 96 K C -0.971 175.739 176.600 0.183 0.000 1.005 96 K CA -0.188 56.204 56.287 0.176 0.000 0.932 96 K CB 0.639 33.280 32.500 0.234 0.000 1.021 96 K HN 0.133 nan 8.250 nan 0.000 0.462 97 Y N 1.446 121.844 120.300 0.163 0.000 2.314 97 Y HA 0.017 4.567 4.550 -0.000 0.000 0.334 97 Y C 0.867 176.858 175.900 0.152 0.000 1.266 97 Y CA 0.052 58.241 58.100 0.148 0.000 1.391 97 Y CB 0.468 38.991 38.460 0.104 0.000 1.306 97 Y HN 0.724 nan 8.280 nan 0.000 0.558 98 N N 0.675 119.586 118.700 0.351 0.000 2.688 98 N HA -0.202 4.538 4.740 -0.000 0.000 0.258 98 N C -1.601 174.017 175.510 0.179 0.000 1.016 98 N CA 1.111 54.303 53.050 0.236 0.000 0.747 98 N CB -0.762 37.834 38.487 0.181 0.000 0.895 98 N HN 0.683 nan 8.380 nan 0.000 0.543 99 T N 0.662 115.337 114.554 0.201 0.000 2.933 99 T HA 0.299 4.649 4.350 -0.000 0.000 0.305 99 T C -0.319 174.387 174.700 0.010 0.000 1.092 99 T CA -0.824 61.310 62.100 0.056 0.000 1.008 99 T CB 1.963 70.831 68.868 0.001 0.000 1.102 99 T HN 0.283 nan 8.240 nan 0.000 0.469 100 K N 1.983 122.281 120.400 -0.170 0.000 2.205 100 K HA 0.490 4.810 4.320 -0.000 0.000 0.279 100 K C -1.442 174.837 176.600 -0.535 0.000 1.027 100 K CA -0.370 55.765 56.287 -0.253 0.000 0.932 100 K CB 0.562 32.894 32.500 -0.279 0.000 1.032 100 K HN 0.569 nan 8.250 nan 0.000 0.466 101 Y N 2.124 122.041 120.300 -0.638 0.000 2.524 101 Y HA 0.340 4.889 4.550 -0.000 0.000 0.344 101 Y C -1.008 174.285 175.900 -1.012 0.000 1.012 101 Y CA -0.641 56.998 58.100 -0.770 0.000 1.068 101 Y CB 1.563 39.446 38.460 -0.962 0.000 1.249 101 Y HN 0.457 nan 8.280 nan 0.000 0.468 102 Y N 1.904 121.816 120.300 -0.647 0.000 2.393 102 Y HA 0.467 5.017 4.550 -0.000 0.000 0.341 102 Y C -0.924 174.561 175.900 -0.691 0.000 0.988 102 Y CA -1.241 56.361 58.100 -0.830 0.000 1.078 102 Y CB 1.453 39.057 38.460 -1.427 0.000 1.203 102 Y HN 0.475 nan 8.280 nan 0.000 0.453 103 Y N -0.875 119.281 120.300 -0.239 0.000 2.492 103 Y HA 0.794 5.344 4.550 -0.000 0.000 0.346 103 Y C -1.255 174.685 175.900 0.067 0.000 0.997 103 Y CA -1.411 56.669 58.100 -0.033 0.000 1.025 103 Y CB 1.536 40.051 38.460 0.093 0.000 1.263 103 Y HN 0.555 nan 8.280 nan 0.000 0.454 104 E N 2.294 122.634 120.200 0.233 0.000 2.256 104 E HA 0.730 5.080 4.350 -0.000 0.000 0.267 104 E C -1.687 174.959 176.600 0.075 0.000 0.892 104 E CA -1.325 55.144 56.400 0.115 0.000 0.775 104 E CB 3.238 33.040 29.700 0.169 0.000 1.207 104 E HN 0.566 nan 8.360 nan 0.000 0.420 105 V N 0.739 120.608 119.914 -0.076 0.000 2.971 105 V HA 0.641 4.761 4.120 -0.000 0.000 0.309 105 V C -0.100 175.806 176.094 -0.312 0.000 1.130 105 V CA 0.451 62.522 62.300 -0.381 0.000 0.964 105 V CB 1.951 33.360 31.823 -0.690 0.000 1.029 105 V HN 0.912 nan 8.190 nan 0.000 0.427 106 G N 4.425 113.042 108.800 -0.305 0.000 2.270 106 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.224 106 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.224 106 G C 0.313 175.185 174.900 -0.047 0.000 1.079 106 G CA 0.249 45.275 45.100 -0.124 0.000 0.807 106 G HN 0.790 nan 8.290 nan 0.000 0.492 107 L N -1.182 120.023 121.223 -0.029 0.000 2.131 107 L HA -0.041 4.299 4.340 -0.000 0.000 0.210 107 L C 3.080 179.962 176.870 0.020 0.000 1.092 107 L CA 1.790 56.633 54.840 0.005 0.000 0.759 107 L CB -0.449 41.625 42.059 0.024 0.000 0.903 107 L HN 0.376 nan 8.230 nan 0.000 0.435 108 R N 0.023 120.542 120.500 0.032 0.000 2.062 108 R HA -0.081 4.259 4.340 -0.000 0.000 0.229 108 R C 1.581 177.919 176.300 0.064 0.000 1.128 108 R CA 1.837 57.966 56.100 0.047 0.000 0.960 108 R CB 0.023 30.357 30.300 0.057 0.000 0.855 108 R HN 0.453 nan 8.270 nan 0.000 0.432 109 N N -1.725 117.023 118.700 0.080 0.000 3.048 109 N HA 0.048 4.788 4.740 -0.000 0.000 0.225 109 N C -0.561 174.996 175.510 0.079 0.000 1.103 109 N CA 0.300 53.420 53.050 0.117 0.000 1.182 109 N CB 0.533 39.171 38.487 0.252 0.000 1.553 109 N HN -0.153 nan 8.380 nan 0.000 0.584 110 T N 1.261 115.855 114.554 0.067 0.000 2.738 110 T HA 0.373 4.723 4.350 -0.000 0.000 0.298 110 T C -0.612 174.088 174.700 -0.000 0.000 0.962 110 T CA -0.225 61.897 62.100 0.037 0.000 0.972 110 T CB 0.994 69.889 68.868 0.046 0.000 0.928 110 T HN 0.014 nan 8.240 nan 0.000 0.474 111 T N 5.132 119.676 114.554 -0.016 0.000 2.845 111 T HA 0.453 4.802 4.350 -0.000 0.000 0.288 111 T C 0.349 175.000 174.700 -0.081 0.000 0.980 111 T CA -0.563 61.510 62.100 -0.045 0.000 1.071 111 T CB 0.603 69.453 68.868 -0.029 0.000 0.941 111 T HN 0.399 nan 8.240 nan 0.000 0.487 112 R N 1.580 122.005 120.500 -0.124 0.000 2.621 112 R HA 0.551 4.891 4.340 -0.000 0.000 0.292 112 R C -0.411 175.634 176.300 -0.425 0.000 0.969 112 R CA -0.922 55.017 56.100 -0.270 0.000 0.887 112 R CB 2.430 32.605 30.300 -0.208 0.000 1.180 112 R HN 0.472 nan 8.270 nan 0.000 0.450 113 R N 2.732 122.839 120.500 -0.655 0.000 2.604 113 R HA 0.563 4.903 4.340 -0.000 0.000 0.287 113 R C -1.235 174.436 176.300 -1.048 0.000 0.970 113 R CA -0.201 55.546 56.100 -0.589 0.000 0.946 113 R CB 0.842 30.994 30.300 -0.247 0.000 1.127 113 R HN 0.436 nan 8.270 nan 0.000 0.473 114 F N -0.082 119.541 119.950 -0.545 0.000 2.754 114 F HA 0.502 5.029 4.527 -0.000 0.000 0.320 114 F C -0.468 175.056 175.800 -0.459 0.000 1.156 114 F CA -0.690 56.960 58.000 -0.582 0.000 0.950 114 F CB 2.223 40.534 39.000 -1.148 0.000 1.388 114 F HN 0.640 nan 8.300 nan 0.000 0.485 115 S N 0.436 116.165 115.700 0.050 0.000 2.550 115 S HA 0.881 5.351 4.470 -0.000 0.000 0.270 115 S C -1.504 173.225 174.600 0.215 0.000 1.145 115 S CA -0.751 57.384 58.200 -0.108 0.000 0.852 115 S CB 2.272 65.258 63.200 -0.357 0.000 1.119 115 S HN 0.850 nan 8.310 nan 0.000 0.465 116 F N -0.809 119.237 119.950 0.161 0.000 2.685 116 F HA 0.859 5.386 4.527 -0.000 0.000 0.315 116 F C -1.723 174.160 175.800 0.139 0.000 1.126 116 F CA -1.689 56.424 58.000 0.188 0.000 0.950 116 F CB 0.818 39.937 39.000 0.199 0.000 1.360 116 F HN 0.584 nan 8.300 nan 0.000 0.469 117 I N 1.878 122.737 120.570 0.482 0.000 2.436 117 I HA 0.360 4.530 4.170 -0.000 0.000 0.289 117 I C -0.237 176.140 176.117 0.433 0.000 1.010 117 I CA -0.920 60.596 61.300 0.360 0.000 1.098 117 I CB 2.390 40.510 38.000 0.200 0.000 1.266 117 I HN 0.839 nan 8.210 nan 0.000 0.434 118 T N 4.249 119.076 114.554 0.456 0.000 2.900 118 T HA 0.281 4.631 4.350 -0.000 0.000 0.307 118 T C -2.258 172.631 174.700 0.315 0.000 1.065 118 T CA -1.114 61.197 62.100 0.351 0.000 1.105 118 T CB 0.669 69.734 68.868 0.328 0.000 0.979 118 T HN 0.347 nan 8.240 nan 0.000 0.544 119 P HA 0.408 nan 4.420 nan 0.000 0.279 119 P C -2.832 174.652 177.300 0.307 0.000 1.276 119 P CA -2.016 61.253 63.100 0.283 0.000 0.801 119 P CB -0.284 31.465 31.700 0.081 0.000 1.127 120 P HA 0.152 nan 4.420 nan 0.000 0.272 120 P C -0.170 177.025 177.300 -0.175 0.000 1.240 120 P CA -0.129 63.010 63.100 0.065 0.000 0.791 120 P CB 0.189 31.928 31.700 0.066 0.000 0.978 121 Q N 0.724 120.184 119.800 -0.566 0.000 2.364 121 Q HA 0.123 4.463 4.340 -0.000 0.000 0.267 121 Q C -0.156 175.612 176.000 -0.386 0.000 0.999 121 Q CA -0.212 54.949 55.803 -1.069 0.000 0.886 121 Q CB 0.176 28.370 28.738 -0.906 0.000 1.243 121 Q HN 0.547 nan 8.270 nan 0.000 0.415 122 T N 0.796 115.207 114.554 -0.238 0.000 2.934 122 T HA 0.455 4.805 4.350 -0.000 0.000 0.306 122 T C 0.291 174.967 174.700 -0.040 0.000 1.042 122 T CA 0.003 62.065 62.100 -0.063 0.000 1.145 122 T CB 0.729 69.602 68.868 0.009 0.000 0.982 122 T HN 0.703 nan 8.240 nan 0.000 0.544 123 G N 1.706 110.513 108.800 0.013 0.000 2.623 123 G HA2 0.480 4.440 3.960 -0.000 0.000 0.290 123 G HA3 0.480 4.440 3.960 -0.000 0.000 0.290 123 G C -0.020 174.913 174.900 0.055 0.000 1.437 123 G CA -0.767 44.346 45.100 0.021 0.000 0.798 123 G HN 0.660 nan 8.290 nan 0.000 0.488 124 L N -0.153 121.083 121.223 0.023 0.000 2.017 124 L HA 0.149 4.489 4.340 -0.000 0.000 0.208 124 L C 1.392 178.253 176.870 -0.014 0.000 1.073 124 L CA 1.941 56.767 54.840 -0.023 0.000 0.745 124 L CB -0.091 41.904 42.059 -0.108 0.000 0.894 124 L HN 0.556 nan 8.230 nan 0.000 0.432 125 D N -1.014 119.386 120.400 0.001 0.000 2.501 125 D HA 0.140 4.780 4.640 -0.000 0.000 0.226 125 D C -0.142 176.215 176.300 0.094 0.000 1.198 125 D CA 0.031 54.056 54.000 0.042 0.000 0.830 125 D CB 0.639 41.433 40.800 -0.010 0.000 1.014 125 D HN 0.023 nan 8.370 nan 0.000 0.496 126 V N 4.338 124.319 119.914 0.112 0.000 2.439 126 V HA 0.143 4.263 4.120 -0.000 0.000 0.271 126 V C -1.805 174.399 176.094 0.184 0.000 1.040 126 V CA -0.981 61.393 62.300 0.123 0.000 1.002 126 V CB 0.904 32.786 31.823 0.098 0.000 1.000 126 V HN 0.026 nan 8.190 nan 0.000 0.477 127 P HA 0.403 nan 4.420 nan 0.000 0.279 127 P C -1.373 176.054 177.300 0.211 0.000 1.252 127 P CA -0.360 62.840 63.100 0.166 0.000 0.811 127 P CB 1.345 33.108 31.700 0.106 0.000 1.035 128 Y N -0.875 119.414 120.300 -0.019 0.000 2.573 128 Y HA 0.365 4.915 4.550 -0.000 0.000 0.328 128 Y C -1.115 174.657 175.900 -0.214 0.000 1.170 128 Y CA -0.372 57.643 58.100 -0.142 0.000 1.078 128 Y CB 1.773 40.126 38.460 -0.178 0.000 1.341 128 Y HN 0.465 nan 8.280 nan 0.000 0.459 129 T N 4.549 118.733 114.554 -0.616 0.000 2.815 129 T HA 0.665 5.015 4.350 -0.000 0.000 0.289 129 T C -1.452 173.000 174.700 -0.414 0.000 1.000 129 T CA -0.215 61.675 62.100 -0.350 0.000 0.958 129 T CB -0.123 68.603 68.868 -0.236 0.000 0.944 129 T HN 0.316 nan 8.240 nan 0.000 0.442 130 F N 2.645 122.645 119.950 0.084 0.000 2.399 130 F HA 0.662 5.189 4.527 -0.000 0.000 0.334 130 F C 1.244 177.051 175.800 0.012 0.000 1.097 130 F CA -0.473 57.565 58.000 0.064 0.000 1.076 130 F CB 1.578 40.604 39.000 0.042 0.000 1.162 130 F HN 0.786 nan 8.300 nan 0.000 0.495 131 G N 2.152 111.019 108.800 0.112 0.000 2.389 131 G HA2 0.612 4.572 3.960 -0.000 0.000 0.317 131 G HA3 0.612 4.572 3.960 -0.000 0.000 0.317 131 G C -1.602 173.155 174.900 -0.237 0.000 1.137 131 G CA -0.556 44.517 45.100 -0.045 0.000 0.870 131 G HN 0.497 nan 8.290 nan 0.000 0.496 132 L N 1.721 122.823 121.223 -0.201 0.000 2.342 132 L HA 0.534 4.874 4.340 -0.000 0.000 0.276 132 L C -0.307 176.446 176.870 -0.195 0.000 0.997 132 L CA -0.186 54.501 54.840 -0.255 0.000 0.838 132 L CB 1.486 43.410 42.059 -0.225 0.000 1.224 132 L HN 0.336 nan 8.230 nan 0.000 0.416 133 I N 2.301 122.686 120.570 -0.308 0.000 2.582 133 I HA 0.772 4.942 4.170 -0.000 0.000 0.292 133 I C 0.043 175.915 176.117 -0.409 0.000 1.066 133 I CA -0.620 60.527 61.300 -0.254 0.000 1.053 133 I CB 2.306 40.115 38.000 -0.318 0.000 1.241 133 I HN 0.618 nan 8.210 nan 0.000 0.421 134 G N 2.178 110.823 108.800 -0.259 0.000 2.706 134 G HA2 0.398 4.358 3.960 -0.000 0.000 0.297 134 G HA3 0.398 4.358 3.960 -0.000 0.000 0.297 134 G C -0.681 174.194 174.900 -0.041 0.000 1.403 134 G CA -0.273 44.616 45.100 -0.351 0.000 0.954 134 G HN 0.740 nan 8.290 nan 0.000 0.500 135 D N -0.207 120.240 120.400 0.078 0.000 2.723 135 D HA -0.166 4.474 4.640 -0.000 0.000 0.236 135 D C 1.561 178.109 176.300 0.413 0.000 1.138 135 D CA 0.636 54.872 54.000 0.393 0.000 0.676 135 D CB -0.136 40.917 40.800 0.420 0.000 1.069 135 D HN 0.324 nan 8.370 nan 0.000 0.430 136 L N 0.380 121.948 121.223 0.575 0.000 1.955 136 L HA -0.010 4.330 4.340 -0.000 0.000 0.213 136 L C 1.754 178.950 176.870 0.544 0.000 1.072 136 L CA 3.189 58.403 54.840 0.623 0.000 0.755 136 L CB -0.830 41.815 42.059 0.976 0.000 0.888 136 L HN 0.548 nan 8.230 nan 0.000 0.432 137 G N -1.001 108.221 108.800 0.702 0.000 2.645 137 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.246 137 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.246 137 G C -0.099 175.178 174.900 0.627 0.000 1.322 137 G CA 0.307 45.711 45.100 0.506 0.000 0.898 137 G HN 0.885 nan 8.290 nan 0.000 0.573 138 Q N -1.108 118.893 119.800 0.335 0.000 2.139 138 Q HA 0.531 4.871 4.340 -0.000 0.000 0.301 138 Q C 0.449 176.403 176.000 -0.077 0.000 0.874 138 Q CA 0.268 56.197 55.803 0.209 0.000 1.116 138 Q CB 0.427 29.389 28.738 0.374 0.000 1.278 138 Q HN 1.226 nan 8.270 nan 0.000 0.426 139 S N -0.857 114.774 115.700 -0.114 0.000 2.681 139 S HA 0.399 4.869 4.470 -0.000 0.000 0.270 139 S C 0.570 174.993 174.600 -0.296 0.000 1.209 139 S CA -0.645 57.429 58.200 -0.209 0.000 0.988 139 S CB 0.213 63.335 63.200 -0.131 0.000 1.006 139 S HN 0.275 nan 8.310 nan 0.000 0.558 140 F N 0.814 120.676 119.950 -0.145 0.000 2.161 140 F HA -0.084 4.442 4.527 -0.000 0.000 0.300 140 F C 2.374 178.075 175.800 -0.165 0.000 1.089 140 F CA 1.463 59.369 58.000 -0.157 0.000 1.282 140 F CB -0.610 38.320 39.000 -0.118 0.000 1.010 140 F HN 0.536 nan 8.300 nan 0.000 0.485 141 D N 0.043 120.421 120.400 -0.036 0.000 2.133 141 D HA -0.158 4.482 4.640 -0.000 0.000 0.195 141 D C 2.328 178.524 176.300 -0.174 0.000 0.997 141 D CA 1.856 55.709 54.000 -0.244 0.000 0.840 141 D CB -0.370 40.020 40.800 -0.683 0.000 0.947 141 D HN 0.232 nan 8.370 nan 0.000 0.452 142 S N 0.927 116.562 115.700 -0.109 0.000 2.368 142 S HA -0.196 4.274 4.470 -0.000 0.000 0.225 142 S C 1.714 176.447 174.600 0.222 0.000 1.030 142 S CA 1.079 59.339 58.200 0.100 0.000 0.999 142 S CB -0.370 62.962 63.200 0.221 0.000 0.844 142 S HN 0.240 nan 8.310 nan 0.000 0.459 143 N N 1.362 120.111 118.700 0.081 0.000 2.104 143 N HA -0.114 4.626 4.740 -0.000 0.000 0.190 143 N C 1.604 177.203 175.510 0.149 0.000 1.024 143 N CA 2.057 55.191 53.050 0.139 0.000 0.853 143 N CB -0.767 37.688 38.487 -0.054 0.000 1.008 143 N HN 0.355 nan 8.380 nan 0.000 0.424 144 T N -0.591 113.999 114.554 0.060 0.000 2.622 144 T HA -0.125 4.225 4.350 -0.000 0.000 0.266 144 T C 1.745 176.427 174.700 -0.030 0.000 1.047 144 T CA 2.097 64.200 62.100 0.006 0.000 1.159 144 T CB -0.961 67.863 68.868 -0.073 0.000 0.863 144 T HN 0.346 nan 8.240 nan 0.000 0.422 145 T N 2.602 117.139 114.554 -0.029 0.000 2.653 145 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 145 T C 1.884 176.629 174.700 0.075 0.000 1.035 145 T CA 1.200 63.310 62.100 0.018 0.000 1.154 145 T CB -0.639 68.285 68.868 0.093 0.000 0.862 145 T HN 0.091 nan 8.240 nan 0.000 0.441 146 L N 1.346 122.660 121.223 0.152 0.000 2.079 146 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 146 L C 2.466 179.438 176.870 0.171 0.000 1.081 146 L CA 1.670 56.620 54.840 0.183 0.000 0.752 146 L CB -0.839 41.351 42.059 0.218 0.000 0.896 146 L HN 0.191 nan 8.230 nan 0.000 0.433 147 S N -1.654 114.144 115.700 0.164 0.000 2.345 147 S HA -0.201 4.269 4.470 -0.000 0.000 0.220 147 S C 1.881 176.584 174.600 0.172 0.000 1.031 147 S CA 1.226 59.519 58.200 0.155 0.000 0.996 147 S CB -0.822 62.479 63.200 0.168 0.000 0.882 147 S HN 0.610 nan 8.310 nan 0.000 0.445 148 H N -0.757 118.330 119.070 0.029 0.000 2.353 148 H HA -0.174 4.382 4.556 -0.000 0.000 0.298 148 H C 2.176 177.474 175.328 -0.051 0.000 1.103 148 H CA 1.830 57.899 56.048 0.035 0.000 1.293 148 H CB -0.207 29.639 29.762 0.139 0.000 1.372 148 H HN 0.451 nan 8.280 nan 0.000 0.501 149 Y N 1.982 122.124 120.300 -0.263 0.000 2.145 149 Y HA -0.192 4.358 4.550 -0.000 0.000 0.286 149 Y C 2.156 177.958 175.900 -0.163 0.000 1.145 149 Y CA 1.502 59.293 58.100 -0.516 0.000 1.148 149 Y CB -0.238 37.870 38.460 -0.586 0.000 0.981 149 Y HN 0.158 nan 8.280 nan 0.000 0.507 150 E N -0.091 119.988 120.200 -0.202 0.000 2.153 150 E HA -0.178 4.172 4.350 -0.000 0.000 0.194 150 E C 1.888 178.365 176.600 -0.206 0.000 0.988 150 E CA 1.442 57.715 56.400 -0.212 0.000 0.811 150 E CB -0.209 29.472 29.700 -0.032 0.000 0.746 150 E HN 0.509 nan 8.360 nan 0.000 0.466 151 L N 0.301 121.439 121.223 -0.141 0.000 2.567 151 L HA 0.100 4.440 4.340 -0.000 0.000 0.225 151 L C 0.865 177.653 176.870 -0.137 0.000 1.119 151 L CA -0.374 54.393 54.840 -0.122 0.000 0.871 151 L CB 0.270 42.276 42.059 -0.089 0.000 1.036 151 L HN -0.159 nan 8.230 nan 0.000 0.459 152 S N 1.989 117.597 115.700 -0.152 0.000 2.673 152 S HA -0.003 4.467 4.470 -0.000 0.000 0.308 152 S C -1.016 173.503 174.600 -0.134 0.000 1.246 152 S CA -0.865 57.270 58.200 -0.110 0.000 1.077 152 S CB 0.661 63.820 63.200 -0.068 0.000 0.814 152 S HN 0.127 nan 8.310 nan 0.000 0.503 153 P HA -0.146 nan 4.420 nan 0.000 0.218 153 P C -0.186 177.060 177.300 -0.091 0.000 1.148 153 P CA 1.136 64.182 63.100 -0.089 0.000 0.822 153 P CB -0.078 31.579 31.700 -0.072 0.000 0.784 154 K N 1.491 121.836 120.400 -0.092 0.000 2.263 154 K HA 0.290 4.610 4.320 -0.000 0.000 0.282 154 K C -0.311 176.209 176.600 -0.132 0.000 1.089 154 K CA -0.869 55.361 56.287 -0.095 0.000 0.907 154 K CB 0.217 32.667 32.500 -0.082 0.000 1.148 154 K HN -0.099 nan 8.250 nan 0.000 0.470 155 K N 1.427 121.735 120.400 -0.152 0.000 2.339 155 K HA 0.246 4.565 4.320 -0.000 0.000 0.286 155 K C 0.392 176.863 176.600 -0.216 0.000 1.050 155 K CA -0.518 55.643 56.287 -0.210 0.000 0.956 155 K CB 0.574 32.962 32.500 -0.187 0.000 0.990 155 K HN 0.620 nan 8.250 nan 0.000 0.475 156 G N 1.735 110.376 108.800 -0.265 0.000 2.544 156 G HA2 0.083 4.043 3.960 -0.000 0.000 0.242 156 G HA3 0.083 4.043 3.960 -0.000 0.000 0.242 156 G C -0.345 174.494 174.900 -0.101 0.000 1.247 156 G CA -0.619 44.434 45.100 -0.078 0.000 0.840 156 G HN 0.755 nan 8.290 nan 0.000 0.578 157 Q N -0.757 118.934 119.800 -0.182 0.000 2.189 157 Q HA 0.201 4.541 4.340 -0.000 0.000 0.223 157 Q C -0.338 175.669 176.000 0.012 0.000 0.828 157 Q CA 0.312 55.985 55.803 -0.217 0.000 0.967 157 Q CB 1.265 29.576 28.738 -0.712 0.000 1.139 157 Q HN 0.497 nan 8.270 nan 0.000 0.497 158 T N 0.038 114.638 114.554 0.077 0.000 3.486 158 T HA 0.202 4.552 4.350 -0.000 0.000 0.375 158 T C -1.281 173.469 174.700 0.084 0.000 1.459 158 T CA -0.511 61.700 62.100 0.185 0.000 1.151 158 T CB 1.982 71.065 68.868 0.359 0.000 1.336 158 T HN -0.177 nan 8.240 nan 0.000 0.477 159 V N 4.150 123.962 119.914 -0.170 0.000 2.427 159 V HA 0.514 4.634 4.120 -0.000 0.000 0.286 159 V C -0.136 175.780 176.094 -0.296 0.000 1.034 159 V CA -0.775 61.226 62.300 -0.500 0.000 0.893 159 V CB 1.392 32.383 31.823 -1.388 0.000 0.982 159 V HN 0.680 nan 8.190 nan 0.000 0.452 160 L N 5.381 126.458 121.223 -0.244 0.000 2.255 160 L HA 0.454 4.794 4.340 -0.000 0.000 0.289 160 L C -0.557 176.209 176.870 -0.174 0.000 1.046 160 L CA -0.122 54.609 54.840 -0.182 0.000 0.816 160 L CB 0.662 42.564 42.059 -0.262 0.000 1.197 160 L HN 0.517 nan 8.230 nan 0.000 0.427 161 F N 3.383 123.222 119.950 -0.186 0.000 2.411 161 F HA 0.253 4.780 4.527 -0.000 0.000 0.350 161 F C 0.712 176.582 175.800 0.118 0.000 1.114 161 F CA -0.153 57.833 58.000 -0.024 0.000 1.135 161 F CB 1.483 40.541 39.000 0.097 0.000 1.120 161 F HN 0.106 nan 8.300 nan 0.000 0.495 162 V N 5.745 125.480 119.914 -0.298 0.000 3.421 162 V HA 0.369 4.489 4.120 -0.000 0.000 0.316 162 V C 0.576 176.809 176.094 0.232 0.000 1.347 162 V CA 0.919 63.218 62.300 -0.001 0.000 1.183 162 V CB -0.739 31.061 31.823 -0.038 0.000 1.092 162 V HN 1.123 nan 8.190 nan 0.000 0.433 163 G N 0.130 109.140 108.800 0.349 0.000 2.587 163 G HA2 0.068 4.028 3.960 -0.000 0.000 0.686 163 G HA3 0.068 4.028 3.960 -0.000 0.000 0.686 163 G C -0.768 174.400 174.900 0.448 0.000 1.236 163 G CA -0.574 44.782 45.100 0.426 0.000 0.820 163 G HN 0.268 nan 8.290 nan 0.000 0.645 164 D N -0.897 119.585 120.400 0.136 0.000 4.044 164 D HA -0.116 4.523 4.640 -0.000 0.000 0.242 164 D C 1.300 177.704 176.300 0.174 0.000 1.076 164 D CA 1.228 55.233 54.000 0.009 0.000 1.171 164 D CB -0.855 40.031 40.800 0.142 0.000 0.866 164 D HN 0.629 nan 8.370 nan 0.000 0.413 165 L N 1.234 122.349 121.223 -0.180 0.000 2.013 165 L HA -0.001 4.339 4.340 -0.000 0.000 0.204 165 L C 2.502 178.686 176.870 -1.142 0.000 1.081 165 L CA 2.183 56.633 54.840 -0.650 0.000 0.751 165 L CB -0.631 40.759 42.059 -1.115 0.000 0.901 165 L HN 0.515 nan 8.230 nan 0.000 0.440 166 S N -4.177 110.709 115.700 -1.358 0.000 2.604 166 S HA 0.087 4.557 4.470 -0.000 0.000 0.235 166 S C 0.412 174.765 174.600 -0.412 0.000 1.043 166 S CA -0.237 57.279 58.200 -1.140 0.000 0.997 166 S CB -0.120 62.151 63.200 -1.548 0.000 0.956 166 S HN 0.311 nan 8.310 nan 0.000 0.535 167 Y N 0.275 120.225 120.300 -0.584 0.000 4.409 167 Y HA -0.338 4.212 4.550 -0.000 0.000 0.228 167 Y C 1.703 177.453 175.900 -0.250 0.000 1.108 167 Y CA 0.052 57.928 58.100 -0.373 0.000 1.955 167 Y CB -2.086 36.218 38.460 -0.260 0.000 1.615 167 Y HN 0.499 nan 8.280 nan 0.000 0.665 168 A N 0.554 123.154 122.820 -0.366 0.000 2.019 168 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 168 A C 1.993 179.546 177.584 -0.052 0.000 1.164 168 A CA 1.659 53.572 52.037 -0.206 0.000 0.644 168 A CB -0.402 18.250 19.000 -0.579 0.000 0.805 168 A HN 0.609 nan 8.150 nan 0.000 0.449 169 D N -0.190 120.082 120.400 -0.213 0.000 2.392 169 D HA -0.150 4.490 4.640 -0.000 0.000 0.228 169 D C 1.551 177.645 176.300 -0.343 0.000 1.003 169 D CA 0.583 54.292 54.000 -0.485 0.000 0.917 169 D CB -0.478 39.976 40.800 -0.576 0.000 0.890 169 D HN 0.556 nan 8.370 nan 0.000 0.532 170 R N -0.861 119.541 120.500 -0.162 0.000 2.161 170 R HA 0.046 4.386 4.340 -0.000 0.000 0.213 170 R C 0.324 176.428 176.300 -0.327 0.000 1.055 170 R CA 0.147 56.087 56.100 -0.266 0.000 0.996 170 R CB -0.146 29.913 30.300 -0.401 0.000 0.901 170 R HN 0.216 nan 8.270 nan 0.000 0.456 171 Y N 2.240 122.463 120.300 -0.128 0.000 2.314 171 Y HA 0.113 4.663 4.550 -0.000 0.000 0.334 171 Y C -1.697 174.192 175.900 -0.019 0.000 1.266 171 Y CA -2.605 55.455 58.100 -0.067 0.000 1.391 171 Y CB -0.034 38.391 38.460 -0.059 0.000 1.306 171 Y HN -0.034 nan 8.280 nan 0.000 0.558 172 P HA -0.050 nan 4.420 nan 0.000 0.268 172 P C -0.840 176.577 177.300 0.195 0.000 1.204 172 P CA 0.204 63.384 63.100 0.133 0.000 0.768 172 P CB 0.366 32.129 31.700 0.105 0.000 0.842 173 N N 1.267 120.080 118.700 0.188 0.000 2.693 173 N HA -0.230 4.510 4.740 -0.000 0.000 0.249 173 N C -0.087 175.678 175.510 0.425 0.000 1.119 173 N CA 0.577 53.747 53.050 0.200 0.000 0.717 173 N CB -1.946 36.642 38.487 0.169 0.000 1.071 173 N HN 0.707 nan 8.380 nan 0.000 0.555 174 H N -2.359 116.794 119.070 0.138 0.000 2.822 174 H HA -0.206 4.350 4.556 -0.000 0.000 0.295 174 H C 0.009 175.341 175.328 0.007 0.000 1.151 174 H CA 0.546 56.623 56.048 0.049 0.000 1.151 174 H CB -1.061 28.633 29.762 -0.114 0.000 1.343 174 H HN 0.458 nan 8.280 nan 0.000 0.382 175 D N 1.333 121.846 120.400 0.188 0.000 7.900 175 D HA -0.167 4.473 4.640 -0.000 0.000 0.177 175 D C 0.904 177.142 176.300 -0.104 0.000 1.430 175 D CA 0.711 54.748 54.000 0.062 0.000 0.886 175 D CB -0.599 40.206 40.800 0.010 0.000 1.676 175 D HN 0.578 nan 8.370 nan 0.000 0.967 176 N N 1.804 120.361 118.700 -0.238 0.000 2.651 176 N HA -0.130 4.610 4.740 -0.000 0.000 0.193 176 N C 1.643 176.928 175.510 -0.375 0.000 1.149 176 N CA 0.040 52.815 53.050 -0.458 0.000 0.933 176 N CB 0.389 38.141 38.487 -1.226 0.000 0.974 176 N HN 0.262 nan 8.380 nan 0.000 0.448 177 V N 1.110 120.895 119.914 -0.216 0.000 2.515 177 V HA -0.167 3.953 4.120 -0.000 0.000 0.250 177 V C 2.212 178.215 176.094 -0.152 0.000 1.058 177 V CA 1.338 63.588 62.300 -0.083 0.000 1.064 177 V CB -0.314 31.468 31.823 -0.068 0.000 0.675 177 V HN 0.282 nan 8.190 nan 0.000 0.461 178 R N -1.470 118.861 120.500 -0.282 0.000 2.241 178 R HA -0.153 4.187 4.340 -0.000 0.000 0.224 178 R C 1.888 178.073 176.300 -0.192 0.000 1.101 178 R CA 1.020 56.898 56.100 -0.371 0.000 0.995 178 R CB -0.667 29.255 30.300 -0.629 0.000 0.870 178 R HN 0.641 nan 8.270 nan 0.000 0.463 179 W N 0.566 121.787 121.300 -0.132 0.000 2.494 179 W HA -0.037 4.623 4.660 -0.000 0.000 0.286 179 W C 1.709 178.269 176.519 0.068 0.000 1.218 179 W CA 0.258 57.594 57.345 -0.015 0.000 1.313 179 W CB 0.142 29.566 29.460 -0.060 0.000 1.105 179 W HN 0.033 nan 8.180 nan 0.000 0.561 180 D N -0.463 120.082 120.400 0.242 0.000 2.097 180 D HA -0.173 4.467 4.640 -0.000 0.000 0.197 180 D C 2.213 178.583 176.300 0.117 0.000 0.984 180 D CA 2.410 56.514 54.000 0.173 0.000 0.826 180 D CB -0.917 39.953 40.800 0.117 0.000 0.973 180 D HN 0.189 nan 8.370 nan 0.000 0.460 181 T N -1.882 112.643 114.554 -0.048 0.000 2.746 181 T HA -0.207 4.143 4.350 -0.000 0.000 0.267 181 T C 1.960 176.728 174.700 0.113 0.000 1.039 181 T CA 0.947 62.895 62.100 -0.253 0.000 1.142 181 T CB -0.937 67.317 68.868 -1.022 0.000 0.866 181 T HN 0.221 nan 8.240 nan 0.000 0.444 182 W N 2.478 123.798 121.300 0.034 0.000 2.338 182 W HA 0.064 4.724 4.660 -0.000 0.000 0.304 182 W C 2.563 179.233 176.519 0.252 0.000 1.212 182 W CA 1.460 58.959 57.345 0.257 0.000 1.264 182 W CB -0.741 28.792 29.460 0.122 0.000 1.142 182 W HN 0.355 nan 8.180 nan 0.000 0.512 183 G N -0.267 108.790 108.800 0.429 0.000 2.448 183 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.219 183 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.219 183 G C 1.622 176.570 174.900 0.080 0.000 1.127 183 G CA 0.762 45.993 45.100 0.219 0.000 0.766 183 G HN 0.258 nan 8.290 nan 0.000 0.552 184 R N -1.143 119.462 120.500 0.174 0.000 2.127 184 R HA 0.103 4.443 4.340 -0.000 0.000 0.217 184 R C 2.187 178.622 176.300 0.225 0.000 1.074 184 R CA 0.550 56.766 56.100 0.193 0.000 0.991 184 R CB -0.338 30.108 30.300 0.242 0.000 0.895 184 R HN 0.397 nan 8.270 nan 0.000 0.450 185 F N 1.908 121.918 119.950 0.101 0.000 2.075 185 F HA -0.191 4.336 4.527 -0.000 0.000 0.297 185 F C 2.143 177.860 175.800 -0.137 0.000 1.113 185 F CA 2.124 60.140 58.000 0.027 0.000 1.218 185 F CB -1.015 38.054 39.000 0.115 0.000 0.984 185 F HN -0.060 nan 8.300 nan 0.000 0.472 186 T N -2.138 111.943 114.554 -0.789 0.000 3.035 186 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 186 T C 1.814 176.222 174.700 -0.486 0.000 1.109 186 T CA 0.952 62.473 62.100 -0.965 0.000 1.119 186 T CB -0.746 67.253 68.868 -1.449 0.000 0.900 186 T HN 0.569 nan 8.240 nan 0.000 0.503 187 E N 2.126 122.176 120.200 -0.251 0.000 2.169 187 E HA -0.323 4.027 4.350 -0.000 0.000 0.202 187 E C 2.424 179.034 176.600 0.016 0.000 1.016 187 E CA 1.568 57.906 56.400 -0.103 0.000 0.817 187 E CB -0.188 29.519 29.700 0.012 0.000 0.736 187 E HN 0.765 nan 8.360 nan 0.000 0.462 188 R N -0.128 120.426 120.500 0.089 0.000 2.200 188 R HA -0.077 4.263 4.340 -0.000 0.000 0.234 188 R C 2.228 178.731 176.300 0.339 0.000 1.127 188 R CA 1.606 57.862 56.100 0.261 0.000 0.989 188 R CB -0.266 30.141 30.300 0.178 0.000 0.869 188 R HN -0.018 nan 8.270 nan 0.000 0.459 189 S N 0.432 116.256 115.700 0.208 0.000 2.541 189 S HA 0.017 4.487 4.470 -0.000 0.000 0.219 189 S C 1.918 176.716 174.600 0.330 0.000 1.025 189 S CA 0.463 58.884 58.200 0.369 0.000 0.917 189 S CB 0.003 63.537 63.200 0.558 0.000 0.859 189 S HN 0.216 nan 8.310 nan 0.000 0.584 190 V N 2.343 122.195 119.914 -0.104 0.000 2.688 190 V HA 0.010 4.130 4.120 -0.000 0.000 0.256 190 V C 2.485 178.548 176.094 -0.051 0.000 1.084 190 V CA 1.542 63.709 62.300 -0.222 0.000 1.103 190 V CB -1.682 29.846 31.823 -0.492 0.000 0.688 190 V HN 0.531 nan 8.190 nan 0.000 0.480 191 A N -1.210 121.516 122.820 -0.156 0.000 2.119 191 A HA 0.006 4.326 4.320 -0.000 0.000 0.217 191 A C 1.871 179.199 177.584 -0.425 0.000 1.153 191 A CA 1.234 52.985 52.037 -0.477 0.000 0.692 191 A CB -0.469 17.936 19.000 -0.992 0.000 0.799 191 A HN 0.656 nan 8.150 nan 0.000 0.458 192 Y N -0.747 119.663 120.300 0.183 0.000 2.467 192 Y HA 0.211 4.761 4.550 -0.000 0.000 0.259 192 Y C 0.809 176.876 175.900 0.278 0.000 1.084 192 Y CA 0.117 58.374 58.100 0.263 0.000 1.275 192 Y CB 0.459 39.048 38.460 0.214 0.000 1.208 192 Y HN 0.497 nan 8.280 nan 0.000 0.511 193 Q N 0.971 121.026 119.800 0.425 0.000 2.331 193 Q HA 0.460 4.800 4.340 -0.000 0.000 0.272 193 Q C -3.209 173.023 176.000 0.386 0.000 1.062 193 Q CA -2.530 53.494 55.803 0.369 0.000 0.806 193 Q CB 2.893 31.845 28.738 0.356 0.000 1.312 193 Q HN -0.175 nan 8.270 nan 0.000 0.431 194 P HA -0.014 nan 4.420 nan 0.000 0.267 194 P C -1.222 176.305 177.300 0.377 0.000 1.200 194 P CA 0.195 63.447 63.100 0.254 0.000 0.772 194 P CB 0.365 32.146 31.700 0.135 0.000 0.855 195 W N 2.241 123.466 121.300 -0.125 0.000 2.587 195 W HA 0.342 5.002 4.660 -0.000 0.000 0.324 195 W C -0.288 175.855 176.519 -0.626 0.000 1.040 195 W CA -0.637 56.470 57.345 -0.398 0.000 1.222 195 W CB 0.977 30.020 29.460 -0.693 0.000 1.381 195 W HN 0.130 nan 8.180 nan 0.000 0.483 196 I N 3.003 123.444 120.570 -0.215 0.000 2.325 196 I HA 0.152 4.322 4.170 -0.000 0.000 0.291 196 I C -0.274 175.779 176.117 -0.106 0.000 1.019 196 I CA -1.402 59.839 61.300 -0.098 0.000 1.302 196 I CB -0.328 37.701 38.000 0.049 0.000 1.401 196 I HN 0.372 nan 8.210 nan 0.000 0.485 197 W N 5.537 127.130 121.300 0.488 0.000 2.316 197 W HA 0.463 5.123 4.660 -0.000 0.000 0.321 197 W C 0.247 177.086 176.519 0.533 0.000 1.203 197 W CA -0.315 57.345 57.345 0.526 0.000 1.214 197 W CB 0.986 30.762 29.460 0.527 0.000 1.169 197 W HN 0.345 nan 8.180 nan 0.000 0.561 198 T N 2.017 117.010 114.554 0.731 0.000 2.886 198 T HA 0.605 4.955 4.350 -0.000 0.000 0.292 198 T C -0.525 174.383 174.700 0.347 0.000 1.012 198 T CA -0.707 61.682 62.100 0.481 0.000 0.982 198 T CB 1.453 70.532 68.868 0.350 0.000 1.018 198 T HN 0.487 nan 8.240 nan 0.000 0.451 199 A N 2.067 124.994 122.820 0.178 0.000 2.328 199 A HA 0.795 5.115 4.320 -0.000 0.000 0.284 199 A C 0.649 178.226 177.584 -0.012 0.000 1.160 199 A CA -0.335 51.627 52.037 -0.125 0.000 0.818 199 A CB 0.268 19.102 19.000 -0.276 0.000 1.087 199 A HN 0.987 nan 8.150 nan 0.000 0.504 200 G N 0.610 109.305 108.800 -0.174 0.000 2.820 200 G HA2 0.422 4.382 3.960 -0.000 0.000 0.291 200 G HA3 0.422 4.382 3.960 -0.000 0.000 0.291 200 G C 0.569 175.274 174.900 -0.325 0.000 1.323 200 G CA -0.113 44.714 45.100 -0.455 0.000 1.055 200 G HN 0.709 nan 8.290 nan 0.000 0.520 201 N N -0.805 117.552 118.700 -0.571 0.000 2.309 201 N HA -0.140 4.600 4.740 -0.000 0.000 0.182 201 N C 1.197 176.382 175.510 -0.540 0.000 1.018 201 N CA 1.082 53.660 53.050 -0.787 0.000 0.876 201 N CB -0.445 37.464 38.487 -0.964 0.000 0.972 201 N HN 0.588 nan 8.380 nan 0.000 0.434 202 H N 0.073 118.913 119.070 -0.383 0.000 2.561 202 H HA 0.072 4.628 4.556 -0.000 0.000 0.278 202 H C 0.686 175.836 175.328 -0.297 0.000 1.014 202 H CA 0.760 56.577 56.048 -0.385 0.000 1.211 202 H CB 0.476 29.857 29.762 -0.635 0.000 1.365 202 H HN 0.350 nan 8.280 nan 0.000 0.594 203 E N 0.033 120.125 120.200 -0.181 0.000 2.340 203 E HA 0.052 4.402 4.350 -0.000 0.000 0.194 203 E C 2.154 178.618 176.600 -0.227 0.000 0.996 203 E CA -0.097 56.269 56.400 -0.057 0.000 0.869 203 E CB 0.195 29.809 29.700 -0.142 0.000 0.835 203 E HN 0.401 nan 8.360 nan 0.000 0.493 204 I N 1.136 121.358 120.570 -0.580 0.000 2.127 204 I HA -0.262 3.908 4.170 -0.000 0.000 0.241 204 I C 0.318 176.202 176.117 -0.388 0.000 1.075 204 I CA 1.045 61.765 61.300 -0.967 0.000 1.334 204 I CB -0.324 37.229 38.000 -0.745 0.000 1.040 204 I HN 0.112 nan 8.210 nan 0.000 0.405 205 E N 0.356 120.484 120.200 -0.121 0.000 2.252 205 E HA -0.279 4.071 4.350 -0.000 0.000 0.218 205 E C -0.306 176.423 176.600 0.216 0.000 1.253 205 E CA 0.025 56.527 56.400 0.170 0.000 0.705 205 E CB -1.668 28.159 29.700 0.212 0.000 1.172 205 E HN 0.351 nan 8.360 nan 0.000 0.369 206 F N 1.018 120.958 119.950 -0.017 0.000 2.405 206 F HA 0.399 4.926 4.527 -0.000 0.000 0.358 206 F C 0.330 176.142 175.800 0.019 0.000 1.151 206 F CA -0.370 57.613 58.000 -0.028 0.000 1.161 206 F CB 0.516 39.465 39.000 -0.086 0.000 1.245 206 F HN 0.085 nan 8.300 nan 0.000 0.545 207 A N 8.484 131.134 122.820 -0.283 0.000 2.923 207 A HA 0.454 4.774 4.320 -0.000 0.000 0.343 207 A C -2.083 175.230 177.584 -0.451 0.000 1.199 207 A CA -1.349 50.499 52.037 -0.316 0.000 0.878 207 A CB -0.083 18.752 19.000 -0.275 0.000 1.104 207 A HN 0.549 nan 8.150 nan 0.000 0.483 208 P HA -0.225 nan 4.420 nan 0.000 0.216 208 P C 1.032 178.162 177.300 -0.283 0.000 1.153 208 P CA 1.770 64.584 63.100 -0.477 0.000 0.858 208 P CB 0.269 31.684 31.700 -0.476 0.000 0.789 209 E N 0.080 120.135 120.200 -0.241 0.000 2.147 209 E HA -0.188 4.162 4.350 -0.000 0.000 0.199 209 E C 1.639 178.099 176.600 -0.233 0.000 1.005 209 E CA 1.279 57.566 56.400 -0.189 0.000 0.810 209 E CB -1.308 28.296 29.700 -0.159 0.000 0.736 209 E HN 0.460 nan 8.360 nan 0.000 0.460 210 I N -3.066 117.303 120.570 -0.334 0.000 3.889 210 I HA 0.302 4.472 4.170 -0.000 0.000 0.332 210 I C -0.189 175.776 176.117 -0.253 0.000 1.493 210 I CA -0.386 60.635 61.300 -0.465 0.000 1.158 210 I CB -0.074 37.373 38.000 -0.922 0.000 1.117 210 I HN -0.102 nan 8.210 nan 0.000 0.411 211 N N 1.887 120.461 118.700 -0.209 0.000 2.741 211 N HA -0.149 4.591 4.740 -0.000 0.000 0.251 211 N C -0.486 174.908 175.510 -0.194 0.000 1.112 211 N CA 0.995 53.951 53.050 -0.157 0.000 0.750 211 N CB -0.613 37.837 38.487 -0.062 0.000 1.119 211 N HN 0.579 nan 8.380 nan 0.000 0.561 212 E N 0.436 120.459 120.200 -0.296 0.000 2.055 212 E HA 0.263 4.613 4.350 -0.000 0.000 0.274 212 E C 1.002 177.491 176.600 -0.185 0.000 0.949 212 E CA -0.023 56.203 56.400 -0.289 0.000 0.775 212 E CB 0.801 30.161 29.700 -0.567 0.000 1.097 212 E HN 0.344 nan 8.360 nan 0.000 0.404 213 T N -0.513 113.996 114.554 -0.076 0.000 3.231 213 T HA 0.179 4.529 4.350 -0.000 0.000 0.292 213 T C 0.273 175.095 174.700 0.205 0.000 1.001 213 T CA -0.484 61.623 62.100 0.013 0.000 0.920 213 T CB 0.239 69.099 68.868 -0.014 0.000 1.140 213 T HN 0.206 nan 8.240 nan 0.000 0.525 214 E N 2.655 122.952 120.200 0.163 0.000 2.055 214 E HA 0.364 4.714 4.350 -0.000 0.000 0.274 214 E C -2.717 173.994 176.600 0.185 0.000 0.949 214 E CA -2.552 53.954 56.400 0.177 0.000 0.775 214 E CB 1.156 30.950 29.700 0.156 0.000 1.097 214 E HN 0.171 nan 8.360 nan 0.000 0.404 215 P HA -0.058 nan 4.420 nan 0.000 0.265 215 P C -0.631 176.725 177.300 0.092 0.000 1.187 215 P CA 0.296 63.376 63.100 -0.033 0.000 0.766 215 P CB 0.066 31.713 31.700 -0.087 0.000 0.820 216 F N -0.684 119.310 119.950 0.073 0.000 3.006 216 F HA -0.292 4.235 4.527 -0.000 0.000 0.289 216 F C 1.771 177.667 175.800 0.161 0.000 0.772 216 F CA 1.278 59.347 58.000 0.115 0.000 1.162 216 F CB -2.050 36.978 39.000 0.047 0.000 1.382 216 F HN 0.353 nan 8.300 nan 0.000 0.406 217 K N 0.835 121.374 120.400 0.233 0.000 1.977 217 K HA -0.175 4.144 4.320 -0.000 0.000 0.218 217 K C -0.746 175.841 176.600 -0.022 0.000 1.051 217 K CA 2.417 58.809 56.287 0.174 0.000 0.953 217 K CB -0.860 31.777 32.500 0.229 0.000 0.727 217 K HN 0.177 nan 8.250 nan 0.000 0.445 218 P HA -0.143 nan 4.420 nan 0.000 0.216 218 P C 1.084 177.988 177.300 -0.659 0.000 1.150 218 P CA 0.999 63.646 63.100 -0.756 0.000 0.837 218 P CB -0.102 31.130 31.700 -0.780 0.000 0.786 219 F N 1.619 121.265 119.950 -0.507 0.000 2.069 219 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 219 F C 2.194 177.910 175.800 -0.140 0.000 1.113 219 F CA 2.205 60.000 58.000 -0.342 0.000 1.214 219 F CB -1.145 37.885 39.000 0.049 0.000 0.978 219 F HN -0.054 nan 8.300 nan 0.000 0.474 220 S N -1.149 114.447 115.700 -0.175 0.000 2.419 220 S HA -0.240 4.230 4.470 -0.000 0.000 0.233 220 S C 1.956 176.342 174.600 -0.356 0.000 1.016 220 S CA 1.176 59.185 58.200 -0.318 0.000 0.974 220 S CB -1.369 61.752 63.200 -0.132 0.000 0.786 220 S HN 0.521 nan 8.310 nan 0.000 0.492 221 Y N 1.921 122.026 120.300 -0.325 0.000 2.263 221 Y HA 0.157 4.707 4.550 -0.000 0.000 0.292 221 Y C 2.845 178.654 175.900 -0.152 0.000 1.130 221 Y CA 1.129 59.109 58.100 -0.198 0.000 1.179 221 Y CB -0.081 38.176 38.460 -0.338 0.000 0.998 221 Y HN 0.178 nan 8.280 nan 0.000 0.532 222 R N -1.693 118.645 120.500 -0.270 0.000 2.100 222 R HA -0.012 4.328 4.340 -0.000 0.000 0.220 222 R C -0.587 175.297 176.300 -0.692 0.000 1.091 222 R CA 0.696 56.489 56.100 -0.511 0.000 0.986 222 R CB -0.066 29.736 30.300 -0.831 0.000 0.888 222 R HN 0.107 nan 8.270 nan 0.000 0.444 223 Y N 0.457 120.513 120.300 -0.407 0.000 2.334 223 Y HA 0.344 4.894 4.550 -0.000 0.000 0.336 223 Y C -0.020 175.650 175.900 -0.384 0.000 0.960 223 Y CA -0.724 57.072 58.100 -0.507 0.000 1.164 223 Y CB 0.966 38.740 38.460 -1.144 0.000 1.155 223 Y HN -0.032 nan 8.280 nan 0.000 0.478 224 H N 1.702 120.574 119.070 -0.332 0.000 2.616 224 H HA 0.799 5.355 4.556 -0.000 0.000 0.353 224 H C -0.812 174.400 175.328 -0.193 0.000 1.170 224 H CA -1.246 54.554 56.048 -0.413 0.000 1.212 224 H CB 2.392 31.751 29.762 -0.672 0.000 1.653 224 H HN 0.488 nan 8.280 nan 0.000 0.537 225 V N -0.541 119.263 119.914 -0.182 0.000 3.114 225 V HA 0.328 4.448 4.120 -0.000 0.000 0.308 225 V C -2.657 173.218 176.094 -0.366 0.000 1.168 225 V CA -2.268 59.861 62.300 -0.285 0.000 1.015 225 V CB 2.323 33.765 31.823 -0.635 0.000 1.050 225 V HN 0.667 nan 8.190 nan 0.000 0.433 226 P HA 0.101 nan 4.420 nan 0.000 0.237 226 P C 0.482 177.579 177.300 -0.338 0.000 1.723 226 P CA 0.014 62.920 63.100 -0.322 0.000 0.882 226 P CB -0.829 30.767 31.700 -0.174 0.000 1.810 227 Y N 0.573 120.602 120.300 -0.451 0.000 2.333 227 Y HA -0.151 4.399 4.550 -0.000 0.000 0.290 227 Y C 1.385 177.141 175.900 -0.239 0.000 1.144 227 Y CA 1.069 58.937 58.100 -0.387 0.000 1.228 227 Y CB -1.230 36.892 38.460 -0.564 0.000 0.985 227 Y HN 0.006 nan 8.280 nan 0.000 0.542 228 E N 1.396 121.170 120.200 -0.711 0.000 2.427 228 E HA 0.070 4.420 4.350 -0.000 0.000 0.196 228 E C 2.064 178.571 176.600 -0.154 0.000 1.028 228 E CA 0.797 56.962 56.400 -0.390 0.000 0.864 228 E CB -0.622 28.791 29.700 -0.479 0.000 0.813 228 E HN 0.565 nan 8.360 nan 0.000 0.514 229 A N 1.027 123.770 122.820 -0.129 0.000 1.902 229 A HA -0.072 4.248 4.320 -0.000 0.000 0.217 229 A C 1.531 179.157 177.584 0.070 0.000 1.181 229 A CA 1.090 53.107 52.037 -0.033 0.000 0.623 229 A CB -0.461 18.520 19.000 -0.032 0.000 0.818 229 A HN 0.258 nan 8.150 nan 0.000 0.443 230 S N -0.490 115.306 115.700 0.161 0.000 2.641 230 S HA 0.366 4.836 4.470 -0.000 0.000 0.261 230 S C -0.007 174.780 174.600 0.311 0.000 1.257 230 S CA -0.419 57.983 58.200 0.336 0.000 0.983 230 S CB 0.417 63.981 63.200 0.606 0.000 0.990 230 S HN 0.342 nan 8.310 nan 0.000 0.572 231 Q N 0.899 120.966 119.800 0.445 0.000 2.399 231 Q HA 0.358 4.698 4.340 -0.000 0.000 0.307 231 Q C 0.066 176.264 176.000 0.331 0.000 0.933 231 Q CA -0.065 55.919 55.803 0.302 0.000 0.995 231 Q CB 0.292 29.167 28.738 0.228 0.000 1.191 231 Q HN 0.535 nan 8.270 nan 0.000 0.426 232 S N -0.101 115.709 115.700 0.183 0.000 2.585 232 S HA 0.194 4.664 4.470 -0.000 0.000 0.273 232 S C 0.971 175.560 174.600 -0.019 0.000 1.339 232 S CA 0.040 58.146 58.200 -0.156 0.000 1.028 232 S CB 0.573 63.403 63.200 -0.616 0.000 0.906 232 S HN 0.540 nan 8.310 nan 0.000 0.528 233 T N -0.095 114.370 114.554 -0.149 0.000 3.174 233 T HA 0.404 4.754 4.350 -0.000 0.000 0.269 233 T C 0.099 174.477 174.700 -0.537 0.000 1.017 233 T CA -0.244 61.781 62.100 -0.125 0.000 0.899 233 T CB -0.075 68.799 68.868 0.011 0.000 1.077 233 T HN 0.413 nan 8.240 nan 0.000 0.552 234 S N 1.587 116.574 115.700 -1.188 0.000 2.533 234 S HA 0.503 4.973 4.470 -0.000 0.000 0.271 234 S C -2.655 170.654 174.600 -2.151 0.000 1.143 234 S CA -1.213 55.928 58.200 -1.765 0.000 0.891 234 S CB 2.262 64.368 63.200 -1.823 0.000 1.105 234 S HN -0.062 nan 8.310 nan 0.000 0.468 235 P HA 0.127 nan 4.420 nan 0.000 0.242 235 P C 0.593 177.356 177.300 -0.895 0.000 1.197 235 P CA 0.346 62.556 63.100 -1.484 0.000 0.765 235 P CB -0.202 30.752 31.700 -1.243 0.000 0.936 236 F N -0.614 118.950 119.950 -0.642 0.000 2.789 236 F HA 0.180 4.707 4.527 -0.000 0.000 0.300 236 F C 0.782 176.678 175.800 0.160 0.000 1.132 236 F CA -0.467 57.415 58.000 -0.198 0.000 1.404 236 F CB -0.721 38.153 39.000 -0.211 0.000 1.114 236 F HN 0.054 nan 8.300 nan 0.000 0.584 237 W N -0.046 121.268 121.300 0.024 0.000 3.439 237 W HA 0.548 5.208 4.660 -0.000 0.000 0.323 237 W C -1.470 174.806 176.519 -0.405 0.000 1.174 237 W CA -2.132 55.115 57.345 -0.163 0.000 1.224 237 W CB -0.012 29.321 29.460 -0.212 0.000 1.348 237 W HN 0.029 nan 8.180 nan 0.000 0.498 238 Y N 0.228 120.338 120.300 -0.316 0.000 2.925 238 Y HA 0.793 5.343 4.550 -0.000 0.000 0.349 238 Y C -0.895 175.167 175.900 0.270 0.000 1.342 238 Y CA -1.259 56.666 58.100 -0.291 0.000 1.093 238 Y CB 0.433 38.813 38.460 -0.134 0.000 1.571 238 Y HN 0.953 nan 8.280 nan 0.000 0.438 239 S N 0.984 116.958 115.700 0.457 0.000 2.607 239 S HA 0.909 5.379 4.470 -0.000 0.000 0.273 239 S C -1.281 173.454 174.600 0.224 0.000 1.148 239 S CA -0.321 58.045 58.200 0.276 0.000 0.833 239 S CB 2.156 65.576 63.200 0.367 0.000 1.130 239 S HN 1.469 nan 8.310 nan 0.000 0.470 240 I N -2.025 118.577 120.570 0.054 0.000 2.913 240 I HA 0.699 4.869 4.170 -0.000 0.000 0.302 240 I C -1.547 174.488 176.117 -0.137 0.000 1.246 240 I CA -1.158 60.150 61.300 0.012 0.000 1.010 240 I CB 2.242 40.299 38.000 0.094 0.000 1.259 240 I HN 0.594 nan 8.210 nan 0.000 0.434 241 K N 3.005 123.330 120.400 -0.124 0.000 2.207 241 K HA 0.702 5.022 4.320 -0.000 0.000 0.255 241 K C -1.020 175.568 176.600 -0.021 0.000 0.941 241 K CA -0.862 55.349 56.287 -0.128 0.000 0.825 241 K CB 2.577 35.009 32.500 -0.114 0.000 1.119 241 K HN 0.643 nan 8.250 nan 0.000 0.430 242 R N 1.879 122.384 120.500 0.009 0.000 2.508 242 R HA 0.467 4.807 4.340 -0.000 0.000 0.283 242 R C -0.432 175.828 176.300 -0.065 0.000 1.120 242 R CA 0.429 56.511 56.100 -0.030 0.000 0.958 242 R CB 1.228 31.520 30.300 -0.015 0.000 1.215 242 R HN 0.817 nan 8.270 nan 0.000 0.427 243 A N 2.376 125.114 122.820 -0.137 0.000 5.277 243 A HA -0.341 3.979 4.320 -0.000 0.000 0.304 243 A C 0.703 178.334 177.584 0.078 0.000 1.976 243 A CA 1.559 53.551 52.037 -0.076 0.000 0.715 243 A CB -2.238 16.662 19.000 -0.167 0.000 1.275 243 A HN 1.356 nan 8.150 nan 0.000 0.367 244 S N 0.333 116.152 115.700 0.198 0.000 2.557 244 S HA 0.642 5.112 4.470 -0.000 0.000 0.223 244 S C 0.431 175.254 174.600 0.373 0.000 0.969 244 S CA 1.041 59.413 58.200 0.286 0.000 0.927 244 S CB -0.192 63.238 63.200 0.383 0.000 0.806 244 S HN 2.232 nan 8.310 nan 0.000 0.489 245 A N 1.298 124.305 122.820 0.311 0.000 2.337 245 A HA 0.724 5.044 4.320 -0.000 0.000 0.331 245 A C -0.886 176.810 177.584 0.187 0.000 1.137 245 A CA -0.702 51.508 52.037 0.288 0.000 0.807 245 A CB 0.745 19.854 19.000 0.182 0.000 1.250 245 A HN 0.620 nan 8.150 nan 0.000 0.468 246 H N 1.216 120.334 119.070 0.081 0.000 2.708 246 H HA 0.625 5.181 4.556 -0.000 0.000 0.320 246 H C -1.117 174.196 175.328 -0.026 0.000 0.991 246 H CA -0.479 55.587 56.048 0.031 0.000 1.243 246 H CB 0.562 30.339 29.762 0.025 0.000 1.446 246 H HN 0.537 nan 8.280 nan 0.000 0.502 247 I N 6.846 127.432 120.570 0.027 0.000 2.377 247 I HA 0.270 4.440 4.170 -0.000 0.000 0.293 247 I C -0.364 175.773 176.117 0.033 0.000 0.987 247 I CA -0.627 60.658 61.300 -0.025 0.000 1.185 247 I CB 1.652 39.577 38.000 -0.125 0.000 1.341 247 I HN 0.518 nan 8.210 nan 0.000 0.455 248 I N 6.552 127.134 120.570 0.020 0.000 2.418 248 I HA 0.372 4.542 4.170 -0.000 0.000 0.287 248 I C -0.594 175.513 176.117 -0.018 0.000 1.008 248 I CA -0.817 60.529 61.300 0.076 0.000 1.104 248 I CB 2.097 40.137 38.000 0.066 0.000 1.264 248 I HN 0.199 nan 8.210 nan 0.000 0.438 249 V N 7.277 127.127 119.914 -0.107 0.000 2.435 249 V HA 0.512 4.632 4.120 -0.000 0.000 0.290 249 V C 0.149 176.271 176.094 0.046 0.000 1.030 249 V CA -0.449 61.756 62.300 -0.159 0.000 0.881 249 V CB 1.836 33.326 31.823 -0.554 0.000 0.983 249 V HN 0.511 nan 8.190 nan 0.000 0.445 250 L N 2.488 123.787 121.223 0.126 0.000 2.256 250 L HA 0.697 5.037 4.340 -0.000 0.000 0.261 250 L C -0.026 176.984 176.870 0.233 0.000 1.022 250 L CA -0.593 54.380 54.840 0.220 0.000 0.828 250 L CB 2.200 44.378 42.059 0.199 0.000 1.374 250 L HN 0.609 nan 8.230 nan 0.000 0.436 251 S N -0.986 114.872 115.700 0.263 0.000 2.733 251 S HA 0.243 4.713 4.470 -0.000 0.000 0.307 251 S C 0.537 175.207 174.600 0.116 0.000 1.127 251 S CA -0.573 57.757 58.200 0.216 0.000 1.097 251 S CB 1.249 64.661 63.200 0.352 0.000 1.003 251 S HN 0.580 nan 8.310 nan 0.000 0.477 252 S N 3.593 119.241 115.700 -0.087 0.000 2.442 252 S HA -0.039 4.430 4.470 -0.000 0.000 0.236 252 S C 0.458 174.730 174.600 -0.546 0.000 1.007 252 S CA 1.166 59.137 58.200 -0.382 0.000 0.965 252 S CB -0.271 62.429 63.200 -0.834 0.000 0.773 252 S HN 0.882 nan 8.310 nan 0.000 0.504 253 Y N 0.791 121.176 120.300 0.142 0.000 2.467 253 Y HA 0.443 4.993 4.550 -0.000 0.000 0.250 253 Y C 1.281 177.246 175.900 0.108 0.000 1.155 253 Y CA -0.599 57.558 58.100 0.095 0.000 1.249 253 Y CB -0.094 38.422 38.460 0.093 0.000 1.146 253 Y HN 0.045 nan 8.280 nan 0.000 0.524 254 S N -0.054 115.751 115.700 0.174 0.000 2.666 254 S HA 0.772 5.242 4.470 -0.000 0.000 0.279 254 S C 0.096 174.658 174.600 -0.063 0.000 1.149 254 S CA -0.508 57.793 58.200 0.169 0.000 1.020 254 S CB 0.618 64.021 63.200 0.338 0.000 1.127 254 S HN 0.217 nan 8.310 nan 0.000 0.537 255 A N 0.261 123.019 122.820 -0.104 0.000 2.306 255 A HA 0.635 4.955 4.320 -0.000 0.000 0.314 255 A C -0.781 176.660 177.584 -0.238 0.000 1.164 255 A CA -0.425 51.423 52.037 -0.315 0.000 0.822 255 A CB 0.043 18.935 19.000 -0.179 0.000 1.130 255 A HN 0.910 nan 8.150 nan 0.000 0.496 256 Y N 0.623 120.884 120.300 -0.064 0.000 2.717 256 Y HA 0.470 5.020 4.550 -0.000 0.000 0.250 256 Y C 0.998 176.909 175.900 0.017 0.000 1.149 256 Y CA -0.939 57.162 58.100 0.001 0.000 1.211 256 Y CB -0.913 37.468 38.460 -0.132 0.000 1.289 256 Y HN 0.672 nan 8.280 nan 0.000 0.552 257 G N 1.832 110.629 108.800 -0.005 0.000 2.794 257 G HA2 0.017 3.977 3.960 -0.000 0.000 0.249 257 G HA3 0.017 3.977 3.960 -0.000 0.000 0.249 257 G C -0.334 174.424 174.900 -0.237 0.000 1.236 257 G CA -0.650 44.405 45.100 -0.074 0.000 0.880 257 G HN 0.430 nan 8.290 nan 0.000 0.586 258 R N 0.204 120.439 120.500 -0.441 0.000 2.347 258 R HA 0.413 4.753 4.340 -0.000 0.000 0.304 258 R C 1.243 177.214 176.300 -0.547 0.000 1.072 258 R CA 0.923 56.440 56.100 -0.972 0.000 0.980 258 R CB -0.035 29.928 30.300 -0.561 0.000 0.986 258 R HN 1.214 nan 8.270 nan 0.000 0.448 259 G N 2.535 111.019 108.800 -0.528 0.000 2.254 259 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.225 259 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.225 259 G C 0.236 175.133 174.900 -0.005 0.000 1.003 259 G CA 0.208 45.228 45.100 -0.134 0.000 0.622 259 G HN 0.804 nan 8.290 nan 0.000 0.507 260 T N -0.167 114.381 114.554 -0.011 0.000 2.802 260 T HA 0.489 4.838 4.350 -0.000 0.000 0.305 260 T C -0.697 174.090 174.700 0.145 0.000 1.053 260 T CA -0.223 61.912 62.100 0.059 0.000 1.058 260 T CB 1.560 70.443 68.868 0.025 0.000 0.988 260 T HN 0.012 nan 8.240 nan 0.000 0.539 261 P HA -0.123 nan 4.420 nan 0.000 0.215 261 P C 1.778 179.164 177.300 0.144 0.000 1.153 261 P CA 1.062 64.315 63.100 0.255 0.000 0.853 261 P CB 0.044 31.987 31.700 0.405 0.000 0.788 262 Q N -1.759 117.858 119.800 -0.304 0.000 2.079 262 Q HA -0.219 4.120 4.340 -0.000 0.000 0.200 262 Q C 2.137 178.120 176.000 -0.029 0.000 0.974 262 Q CA 1.240 56.559 55.803 -0.807 0.000 0.840 262 Q CB -0.574 27.461 28.738 -1.172 0.000 0.898 262 Q HN 0.173 nan 8.270 nan 0.000 0.430 263 Y N 1.007 121.351 120.300 0.073 0.000 2.114 263 Y HA -0.231 4.319 4.550 -0.000 0.000 0.284 263 Y C 2.290 178.357 175.900 0.279 0.000 1.143 263 Y CA 2.264 60.540 58.100 0.294 0.000 1.135 263 Y CB -0.664 37.961 38.460 0.275 0.000 0.980 263 Y HN 0.061 nan 8.280 nan 0.000 0.499 264 T N 0.157 115.037 114.554 0.544 0.000 2.720 264 T HA -0.286 4.064 4.350 -0.000 0.000 0.268 264 T C 1.334 176.178 174.700 0.240 0.000 1.037 264 T CA 1.812 64.136 62.100 0.374 0.000 1.144 264 T CB -0.841 68.213 68.868 0.309 0.000 0.864 264 T HN 0.705 nan 8.240 nan 0.000 0.444 265 W N 1.622 122.990 121.300 0.112 0.000 2.354 265 W HA -0.077 4.583 4.660 -0.000 0.000 0.315 265 W C 1.976 178.505 176.519 0.017 0.000 1.206 265 W CA 0.647 58.061 57.345 0.114 0.000 1.290 265 W CB -0.873 28.736 29.460 0.249 0.000 1.152 265 W HN 0.147 nan 8.180 nan 0.000 0.489 266 L N 1.940 123.127 121.223 -0.060 0.000 2.043 266 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 266 L C 2.501 179.084 176.870 -0.477 0.000 1.075 266 L CA 2.541 57.152 54.840 -0.381 0.000 0.752 266 L CB -1.286 40.630 42.059 -0.239 0.000 0.891 266 L HN 0.100 nan 8.230 nan 0.000 0.432 267 K N -0.474 119.686 120.400 -0.400 0.000 1.991 267 K HA -0.229 4.091 4.320 -0.000 0.000 0.212 267 K C 2.140 178.414 176.600 -0.542 0.000 1.049 267 K CA 2.026 57.898 56.287 -0.691 0.000 0.932 267 K CB -0.095 32.063 32.500 -0.569 0.000 0.717 267 K HN 0.341 nan 8.250 nan 0.000 0.441 268 K N 0.229 120.397 120.400 -0.387 0.000 2.097 268 K HA -0.190 4.130 4.320 -0.000 0.000 0.206 268 K C 2.092 178.432 176.600 -0.433 0.000 1.049 268 K CA 1.517 57.605 56.287 -0.332 0.000 0.933 268 K CB -0.068 32.310 32.500 -0.204 0.000 0.717 268 K HN 0.155 nan 8.250 nan 0.000 0.442 269 E N 1.553 121.363 120.200 -0.651 0.000 2.077 269 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 269 E C 1.769 178.036 176.600 -0.555 0.000 0.989 269 E CA 1.069 57.065 56.400 -0.672 0.000 0.800 269 E CB -0.209 28.794 29.700 -1.161 0.000 0.746 269 E HN 0.197 nan 8.360 nan 0.000 0.452 270 L N 0.070 120.899 121.223 -0.656 0.000 2.131 270 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 270 L C 2.551 178.982 176.870 -0.732 0.000 1.092 270 L CA 1.356 55.702 54.840 -0.824 0.000 0.759 270 L CB -0.287 41.068 42.059 -1.173 0.000 0.903 270 L HN 0.127 nan 8.230 nan 0.000 0.435 271 R N 0.018 120.215 120.500 -0.505 0.000 2.148 271 R HA -0.099 4.240 4.340 -0.000 0.000 0.223 271 R C 1.807 177.996 176.300 -0.185 0.000 1.088 271 R CA 0.752 56.706 56.100 -0.243 0.000 0.985 271 R CB -0.125 30.070 30.300 -0.174 0.000 0.880 271 R HN 0.371 nan 8.270 nan 0.000 0.451 272 K N 0.730 121.000 120.400 -0.218 0.000 2.487 272 K HA 0.089 4.409 4.320 -0.000 0.000 0.192 272 K C 0.149 176.677 176.600 -0.119 0.000 1.027 272 K CA 0.170 56.384 56.287 -0.122 0.000 1.054 272 K CB 0.431 32.887 32.500 -0.074 0.000 0.824 272 K HN -0.057 nan 8.250 nan 0.000 0.510 273 V N 2.503 122.262 119.914 -0.259 0.000 2.521 273 V HA 0.028 4.148 4.120 -0.000 0.000 0.286 273 V C 0.132 176.138 176.094 -0.147 0.000 1.034 273 V CA 0.084 62.175 62.300 -0.348 0.000 1.045 273 V CB 0.604 32.122 31.823 -0.508 0.000 0.974 273 V HN 0.121 nan 8.190 nan 0.000 0.480 274 K N 4.980 125.343 120.400 -0.062 0.000 2.425 274 K HA 0.435 4.755 4.320 -0.000 0.000 0.259 274 K C 0.623 177.201 176.600 -0.036 0.000 0.978 274 K CA -0.709 55.559 56.287 -0.032 0.000 0.883 274 K CB 1.520 34.032 32.500 0.019 0.000 1.110 274 K HN 0.411 nan 8.250 nan 0.000 0.436 275 R N 0.549 120.968 120.500 -0.136 0.000 2.276 275 R HA -0.033 4.307 4.340 -0.000 0.000 0.203 275 R C 1.037 177.350 176.300 0.022 0.000 1.017 275 R CA 0.648 56.637 56.100 -0.185 0.000 1.010 275 R CB 0.036 29.952 30.300 -0.640 0.000 0.900 275 R HN 0.519 nan 8.270 nan 0.000 0.469 276 S N 0.449 116.181 115.700 0.054 0.000 2.481 276 S HA -0.076 4.394 4.470 -0.000 0.000 0.231 276 S C 1.714 176.420 174.600 0.176 0.000 0.996 276 S CA 0.701 59.044 58.200 0.239 0.000 0.942 276 S CB 0.204 63.499 63.200 0.159 0.000 0.768 276 S HN 0.410 nan 8.310 nan 0.000 0.520 277 E N 1.710 121.978 120.200 0.113 0.000 2.134 277 E HA 0.006 4.356 4.350 -0.000 0.000 0.194 277 E C -0.082 176.585 176.600 0.112 0.000 0.937 277 E CA 0.905 57.364 56.400 0.098 0.000 0.874 277 E CB 0.471 30.223 29.700 0.088 0.000 0.853 277 E HN 0.511 nan 8.360 nan 0.000 0.471 278 T N -0.035 114.597 114.554 0.131 0.000 2.977 278 T HA 0.322 4.672 4.350 -0.000 0.000 0.346 278 T C -2.108 172.686 174.700 0.156 0.000 1.140 278 T CA -1.904 60.300 62.100 0.174 0.000 1.040 278 T CB 1.570 70.571 68.868 0.221 0.000 1.046 278 T HN -0.055 nan 8.240 nan 0.000 0.494 279 P HA -0.092 nan 4.420 nan 0.000 0.215 279 P C -0.124 177.134 177.300 -0.070 0.000 1.153 279 P CA 0.794 63.908 63.100 0.024 0.000 0.853 279 P CB 0.016 31.633 31.700 -0.140 0.000 0.788 280 W N 0.891 122.311 121.300 0.199 0.000 2.335 280 W HA 0.409 5.069 4.660 -0.000 0.000 0.306 280 W C 0.146 176.728 176.519 0.104 0.000 1.216 280 W CA -0.740 56.717 57.345 0.187 0.000 1.237 280 W CB 0.348 29.959 29.460 0.251 0.000 1.243 280 W HN -0.147 nan 8.180 nan 0.000 0.493 281 L N 6.475 127.869 121.223 0.284 0.000 2.298 281 L HA 0.602 4.942 4.340 -0.000 0.000 0.284 281 L C -0.847 176.036 176.870 0.021 0.000 1.013 281 L CA -0.729 54.178 54.840 0.110 0.000 0.824 281 L CB 0.222 42.291 42.059 0.017 0.000 1.221 281 L HN 0.325 nan 8.230 nan 0.000 0.418 282 I N 5.278 125.816 120.570 -0.053 0.000 2.474 282 I HA 0.557 4.727 4.170 -0.000 0.000 0.294 282 I C -0.794 175.211 176.117 -0.187 0.000 1.005 282 I CA -0.961 60.228 61.300 -0.185 0.000 1.113 282 I CB 2.135 39.992 38.000 -0.239 0.000 1.289 282 I HN 0.230 nan 8.210 nan 0.000 0.436 283 V N 6.553 126.311 119.914 -0.261 0.000 2.680 283 V HA 0.522 4.642 4.120 -0.000 0.000 0.309 283 V C -0.281 175.725 176.094 -0.146 0.000 1.052 283 V CA -0.585 61.567 62.300 -0.247 0.000 0.908 283 V CB 2.270 33.808 31.823 -0.474 0.000 1.001 283 V HN 0.456 nan 8.190 nan 0.000 0.431 284 L N 5.822 127.003 121.223 -0.070 0.000 2.346 284 L HA 0.847 5.187 4.340 -0.000 0.000 0.274 284 L C -0.393 176.501 176.870 0.040 0.000 1.007 284 L CA -0.512 54.333 54.840 0.007 0.000 0.818 284 L CB 1.830 43.896 42.059 0.012 0.000 1.284 284 L HN 0.760 nan 8.230 nan 0.000 0.424 285 M N -0.968 118.678 119.600 0.076 0.000 2.732 285 M HA 0.370 4.850 4.480 -0.000 0.000 0.272 285 M C -0.427 175.952 176.300 0.133 0.000 1.203 285 M CA -0.781 54.578 55.300 0.099 0.000 0.841 285 M CB 2.358 35.001 32.600 0.071 0.000 1.685 285 M HN 0.443 nan 8.290 nan 0.000 0.492 286 H N 0.683 119.763 119.070 0.017 0.000 2.320 286 H HA 0.366 4.922 4.556 -0.000 0.000 0.309 286 H C 0.227 175.550 175.328 -0.009 0.000 1.057 286 H CA 1.879 57.953 56.048 0.044 0.000 1.374 286 H CB 0.400 30.227 29.762 0.108 0.000 1.421 286 H HN 0.662 nan 8.280 nan 0.000 0.532 287 S N 3.159 118.774 115.700 -0.142 0.000 2.481 287 S HA 0.186 4.656 4.470 -0.000 0.000 0.276 287 S C -2.533 171.996 174.600 -0.119 0.000 1.247 287 S CA -1.541 56.517 58.200 -0.237 0.000 1.053 287 S CB 0.502 63.515 63.200 -0.312 0.000 0.925 287 S HN 0.308 nan 8.310 nan 0.000 0.491 288 P HA 0.094 nan 4.420 nan 0.000 0.271 288 P C 0.593 177.836 177.300 -0.096 0.000 1.220 288 P CA -0.268 62.820 63.100 -0.019 0.000 0.768 288 P CB 0.730 32.442 31.700 0.021 0.000 0.848 289 L N 2.081 123.235 121.223 -0.115 0.000 2.179 289 L HA -0.007 4.333 4.340 -0.000 0.000 0.208 289 L C 0.538 176.982 176.870 -0.710 0.000 1.096 289 L CA 1.388 56.007 54.840 -0.368 0.000 0.779 289 L CB -0.400 41.473 42.059 -0.309 0.000 0.922 289 L HN 0.355 nan 8.230 nan 0.000 0.443 290 Y N 0.692 120.787 120.300 -0.341 0.000 2.345 290 Y HA 0.378 4.928 4.550 -0.000 0.000 0.331 290 Y C -0.092 175.777 175.900 -0.052 0.000 0.959 290 Y CA -0.912 56.983 58.100 -0.343 0.000 1.204 290 Y CB 1.084 39.238 38.460 -0.510 0.000 1.135 290 Y HN -0.007 nan 8.280 nan 0.000 0.477 291 N N 0.947 119.737 118.700 0.150 0.000 2.503 291 N HA 0.112 4.852 4.740 -0.000 0.000 0.287 291 N C -0.777 175.017 175.510 0.474 0.000 1.096 291 N CA -0.224 53.004 53.050 0.297 0.000 0.936 291 N CB 1.600 40.205 38.487 0.197 0.000 1.570 291 N HN 0.499 nan 8.380 nan 0.000 0.504 292 S N 1.827 117.798 115.700 0.453 0.000 2.583 292 S HA 0.231 4.701 4.470 -0.000 0.000 0.239 292 S C -0.356 174.306 174.600 0.103 0.000 0.966 292 S CA -0.386 57.986 58.200 0.287 0.000 0.973 292 S CB -0.496 62.730 63.200 0.043 0.000 0.794 292 S HN 0.463 nan 8.310 nan 0.000 0.463 293 Y N 1.803 122.180 120.300 0.129 0.000 2.432 293 Y HA 0.464 5.014 4.550 -0.000 0.000 0.322 293 Y C 1.632 177.575 175.900 0.071 0.000 1.246 293 Y CA -1.137 56.997 58.100 0.057 0.000 1.268 293 Y CB 0.628 39.132 38.460 0.073 0.000 1.276 293 Y HN 0.053 nan 8.280 nan 0.000 0.499 294 N N -0.604 118.208 118.700 0.186 0.000 2.250 294 N HA -0.160 4.580 4.740 -0.000 0.000 0.181 294 N C 0.176 175.810 175.510 0.207 0.000 1.017 294 N CA 0.580 53.691 53.050 0.102 0.000 0.866 294 N CB -0.104 38.394 38.487 0.017 0.000 0.985 294 N HN 0.609 nan 8.380 nan 0.000 0.429 295 H N 1.517 120.615 119.070 0.046 0.000 3.026 295 H HA -0.054 4.502 4.556 -0.000 0.000 0.289 295 H C -0.013 175.258 175.328 -0.094 0.000 1.022 295 H CA 0.227 56.190 56.048 -0.142 0.000 1.477 295 H CB 0.009 29.622 29.762 -0.247 0.000 1.510 295 H HN 0.293 nan 8.280 nan 0.000 0.535 296 H N 2.666 121.674 119.070 -0.104 0.000 2.903 296 H HA -0.248 4.308 4.556 -0.000 0.000 0.285 296 H C -0.465 174.891 175.328 0.047 0.000 1.231 296 H CA 0.763 56.743 56.048 -0.113 0.000 1.135 296 H CB -2.238 27.346 29.762 -0.297 0.000 1.328 296 H HN 0.470 nan 8.280 nan 0.000 0.388 297 F N 1.629 121.625 119.950 0.077 0.000 2.504 297 F HA 0.272 4.799 4.527 -0.000 0.000 0.369 297 F C 1.395 177.216 175.800 0.036 0.000 1.082 297 F CA 0.485 58.524 58.000 0.065 0.000 1.216 297 F CB 0.306 39.340 39.000 0.058 0.000 1.108 297 F HN 0.312 nan 8.300 nan 0.000 0.554 298 M N 3.642 122.816 119.600 -0.709 0.000 2.921 298 M HA -0.291 4.189 4.480 -0.000 0.000 0.206 298 M C 0.895 177.015 176.300 -0.300 0.000 0.574 298 M CA 0.988 55.907 55.300 -0.636 0.000 0.746 298 M CB -1.441 30.675 32.600 -0.806 0.000 2.693 298 M HN 0.738 nan 8.290 nan 0.000 0.439 299 E N -0.043 120.058 120.200 -0.166 0.000 2.158 299 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 299 E C 1.969 178.479 176.600 -0.150 0.000 0.982 299 E CA 0.994 57.342 56.400 -0.086 0.000 0.823 299 E CB 0.039 29.754 29.700 0.025 0.000 0.766 299 E HN 0.747 nan 8.360 nan 0.000 0.468 300 G N 1.135 109.814 108.800 -0.202 0.000 2.708 300 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.210 300 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.210 300 G C 1.172 175.880 174.900 -0.320 0.000 1.141 300 G CA 0.092 45.038 45.100 -0.255 0.000 0.788 300 G HN 0.053 nan 8.290 nan 0.000 0.531 301 E N 1.394 121.410 120.200 -0.307 0.000 2.017 301 E HA -0.146 4.204 4.350 -0.000 0.000 0.193 301 E C 2.939 179.362 176.600 -0.296 0.000 0.997 301 E CA 1.166 57.374 56.400 -0.320 0.000 0.804 301 E CB -0.753 28.778 29.700 -0.280 0.000 0.757 301 E HN 0.317 nan 8.360 nan 0.000 0.448 302 A N 1.466 124.150 122.820 -0.226 0.000 1.869 302 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 302 A C 2.321 179.664 177.584 -0.402 0.000 1.203 302 A CA 2.502 54.423 52.037 -0.194 0.000 0.638 302 A CB -0.752 18.233 19.000 -0.024 0.000 0.831 302 A HN 0.327 nan 8.150 nan 0.000 0.450 303 M N -1.293 117.949 119.600 -0.596 0.000 2.213 303 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 303 M C 2.246 178.097 176.300 -0.748 0.000 1.062 303 M CA 1.740 56.416 55.300 -1.041 0.000 1.105 303 M CB -0.124 31.904 32.600 -0.954 0.000 1.385 303 M HN 0.474 nan 8.290 nan 0.000 0.417 304 R N -0.390 119.807 120.500 -0.504 0.000 2.073 304 R HA -0.160 4.180 4.340 -0.000 0.000 0.234 304 R C 2.079 178.124 176.300 -0.425 0.000 1.134 304 R CA 2.125 57.970 56.100 -0.424 0.000 0.952 304 R CB -0.653 29.386 30.300 -0.434 0.000 0.850 304 R HN 0.592 nan 8.270 nan 0.000 0.433 305 T N -1.747 112.574 114.554 -0.389 0.000 3.025 305 T HA -0.098 4.252 4.350 -0.000 0.000 0.270 305 T C 1.624 176.095 174.700 -0.382 0.000 1.126 305 T CA 1.347 63.261 62.100 -0.309 0.000 1.105 305 T CB 0.015 68.752 68.868 -0.219 0.000 0.884 305 T HN 0.204 nan 8.240 nan 0.000 0.522 306 K N -1.391 118.645 120.400 -0.607 0.000 2.387 306 K HA 0.366 4.686 4.320 -0.000 0.000 0.197 306 K C 0.732 176.732 176.600 -1.000 0.000 1.127 306 K CA 0.115 55.928 56.287 -0.791 0.000 0.950 306 K CB 0.467 32.370 32.500 -0.994 0.000 1.017 306 K HN 0.300 nan 8.250 nan 0.000 0.519 307 F N 0.549 119.954 119.950 -0.908 0.000 2.706 307 F HA 0.284 4.811 4.527 -0.000 0.000 0.308 307 F C 1.688 176.714 175.800 -1.289 0.000 1.095 307 F CA -0.404 56.825 58.000 -1.286 0.000 1.244 307 F CB 0.004 38.302 39.000 -1.170 0.000 1.063 307 F HN 0.049 nan 8.300 nan 0.000 0.582 308 E N 1.257 121.100 120.200 -0.595 0.000 2.038 308 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 308 E C 2.420 178.939 176.600 -0.135 0.000 1.000 308 E CA 1.602 57.823 56.400 -0.299 0.000 0.803 308 E CB -0.031 29.615 29.700 -0.089 0.000 0.750 308 E HN 0.218 nan 8.360 nan 0.000 0.448 309 A N 0.626 123.384 122.820 -0.103 0.000 1.917 309 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 309 A C 1.818 179.542 177.584 0.233 0.000 1.182 309 A CA 1.688 53.769 52.037 0.072 0.000 0.633 309 A CB -1.157 17.902 19.000 0.098 0.000 0.819 309 A HN 0.530 nan 8.150 nan 0.000 0.448 310 W N -0.857 120.404 121.300 -0.064 0.000 2.358 310 W HA -0.071 4.589 4.660 -0.000 0.000 0.303 310 W C 2.019 178.698 176.519 0.267 0.000 1.208 310 W CA 0.502 57.893 57.345 0.077 0.000 1.274 310 W CB -1.527 27.883 29.460 -0.083 0.000 1.138 310 W HN 0.362 nan 8.180 nan 0.000 0.515 311 F N -0.109 120.037 119.950 0.327 0.000 2.134 311 F HA -0.158 4.369 4.527 -0.000 0.000 0.299 311 F C 2.322 178.224 175.800 0.169 0.000 1.097 311 F CA 0.620 58.739 58.000 0.197 0.000 1.264 311 F CB -1.700 37.377 39.000 0.129 0.000 1.001 311 F HN -0.298 nan 8.300 nan 0.000 0.479 312 V N 0.320 120.435 119.914 0.335 0.000 2.270 312 V HA -0.281 3.838 4.120 -0.000 0.000 0.245 312 V C 2.477 178.650 176.094 0.132 0.000 1.043 312 V CA 2.040 64.458 62.300 0.198 0.000 1.014 312 V CB -0.760 31.153 31.823 0.150 0.000 0.645 312 V HN 0.255 nan 8.190 nan 0.000 0.447 313 K N -0.562 119.910 120.400 0.119 0.000 2.127 313 K HA -0.239 4.081 4.320 -0.000 0.000 0.208 313 K C 1.736 178.197 176.600 -0.232 0.000 1.047 313 K CA 2.165 58.413 56.287 -0.065 0.000 0.927 313 K CB -0.244 32.200 32.500 -0.094 0.000 0.716 313 K HN 0.580 nan 8.250 nan 0.000 0.450 314 Y N 0.257 120.592 120.300 0.059 0.000 2.485 314 Y HA 0.219 4.769 4.550 -0.000 0.000 0.260 314 Y C -0.266 175.648 175.900 0.024 0.000 1.173 314 Y CA -0.165 57.945 58.100 0.017 0.000 1.252 314 Y CB 0.544 39.001 38.460 -0.005 0.000 1.123 314 Y HN -0.034 nan 8.280 nan 0.000 0.524 315 K N 0.129 120.617 120.400 0.147 0.000 3.244 315 K HA -0.163 4.157 4.320 -0.000 0.000 0.270 315 K C -0.186 176.473 176.600 0.099 0.000 1.016 315 K CA 0.554 56.903 56.287 0.103 0.000 0.754 315 K CB -1.796 30.747 32.500 0.072 0.000 1.326 315 K HN 0.225 nan 8.250 nan 0.000 0.465 316 V N -1.511 118.456 119.914 0.090 0.000 2.740 316 V HA 0.010 4.130 4.120 -0.000 0.000 0.303 316 V C 1.364 177.451 176.094 -0.013 0.000 1.054 316 V CA 0.127 62.425 62.300 -0.004 0.000 1.106 316 V CB 1.278 33.016 31.823 -0.142 0.000 0.957 316 V HN 0.309 nan 8.190 nan 0.000 0.486 317 D N 2.850 123.273 120.400 0.039 0.000 2.077 317 D HA 0.020 4.660 4.640 -0.000 0.000 0.196 317 D C 0.600 176.898 176.300 -0.003 0.000 0.986 317 D CA 2.051 56.141 54.000 0.150 0.000 0.829 317 D CB 0.294 41.346 40.800 0.421 0.000 0.983 317 D HN 0.625 nan 8.370 nan 0.000 0.453 318 V N -0.327 119.423 119.914 -0.273 0.000 3.078 318 V HA 0.550 4.670 4.120 -0.000 0.000 0.311 318 V C -0.297 175.352 176.094 -0.742 0.000 1.138 318 V CA -0.974 60.956 62.300 -0.617 0.000 1.007 318 V CB 2.793 33.897 31.823 -1.197 0.000 1.045 318 V HN -0.220 nan 8.190 nan 0.000 0.432 319 V N 2.257 121.671 119.914 -0.833 0.000 2.462 319 V HA 0.481 4.601 4.120 -0.000 0.000 0.288 319 V C -1.100 174.697 176.094 -0.496 0.000 1.020 319 V CA -0.155 61.786 62.300 -0.598 0.000 0.857 319 V CB 1.178 32.695 31.823 -0.510 0.000 1.013 319 V HN 0.689 nan 8.190 nan 0.000 0.431 320 F N 3.221 123.041 119.950 -0.216 0.000 2.394 320 F HA 0.819 5.346 4.527 -0.000 0.000 0.340 320 F C 0.679 176.436 175.800 -0.072 0.000 1.105 320 F CA -0.080 57.832 58.000 -0.147 0.000 1.124 320 F CB 1.580 40.473 39.000 -0.179 0.000 1.145 320 F HN 0.561 nan 8.300 nan 0.000 0.505 321 A N 1.281 124.196 122.820 0.158 0.000 2.564 321 A HA 0.915 5.235 4.320 -0.000 0.000 0.288 321 A C -0.321 177.298 177.584 0.058 0.000 1.164 321 A CA -0.069 52.017 52.037 0.082 0.000 0.712 321 A CB 1.215 20.243 19.000 0.047 0.000 1.303 321 A HN 0.869 nan 8.150 nan 0.000 0.418 322 G N -2.066 106.715 108.800 -0.031 0.000 3.377 322 G HA2 0.481 4.441 3.960 -0.000 0.000 0.182 322 G HA3 0.481 4.441 3.960 -0.000 0.000 0.182 322 G C 0.375 175.196 174.900 -0.132 0.000 1.166 322 G CA 1.171 46.257 45.100 -0.023 0.000 0.771 322 G HN 1.846 nan 8.290 nan 0.000 0.701 323 H N -2.391 116.441 119.070 -0.396 0.000 4.912 323 H HA -0.212 4.344 4.556 -0.000 0.000 0.078 323 H C 0.318 175.572 175.328 -0.124 0.000 0.572 323 H CA 1.591 57.416 56.048 -0.372 0.000 1.083 323 H CB -1.109 28.271 29.762 -0.638 0.000 0.482 323 H HN 0.378 nan 8.280 nan 0.000 0.736 324 V N 2.250 122.105 119.914 -0.098 0.000 2.383 324 V HA 0.198 4.318 4.120 -0.000 0.000 0.275 324 V C 0.306 176.346 176.094 -0.090 0.000 1.036 324 V CA -0.020 62.176 62.300 -0.174 0.000 0.889 324 V CB 1.016 32.717 31.823 -0.203 0.000 0.985 324 V HN 0.449 nan 8.190 nan 0.000 0.459 325 H N 4.257 123.347 119.070 0.033 0.000 3.195 325 H HA 0.580 5.136 4.556 -0.000 0.000 0.241 325 H C 0.474 175.747 175.328 -0.091 0.000 1.823 325 H CA 0.392 56.459 56.048 0.032 0.000 1.466 325 H CB 0.179 29.981 29.762 0.067 0.000 1.819 325 H HN 0.849 nan 8.280 nan 0.000 0.575 326 A N 1.388 124.196 122.820 -0.020 0.000 2.438 326 A HA 0.389 4.709 4.320 -0.000 0.000 0.301 326 A C -2.240 175.368 177.584 0.039 0.000 1.101 326 A CA -0.823 51.170 52.037 -0.073 0.000 0.621 326 A CB 0.908 19.635 19.000 -0.455 0.000 1.350 326 A HN 0.344 nan 8.150 nan 0.000 0.496 327 Y N 0.564 120.810 120.300 -0.089 0.000 2.509 327 Y HA 0.754 5.304 4.550 -0.000 0.000 0.341 327 Y C -0.335 175.550 175.900 -0.024 0.000 1.038 327 Y CA -0.287 57.682 58.100 -0.219 0.000 1.089 327 Y CB 1.814 39.762 38.460 -0.853 0.000 1.241 327 Y HN 1.022 nan 8.280 nan 0.000 0.468 328 E N 4.477 124.242 120.200 -0.726 0.000 2.400 328 E HA 0.397 4.747 4.350 -0.000 0.000 0.285 328 E C -2.092 174.144 176.600 -0.606 0.000 1.005 328 E CA -0.881 55.256 56.400 -0.438 0.000 0.816 328 E CB 1.553 31.303 29.700 0.084 0.000 1.220 328 E HN 0.803 nan 8.360 nan 0.000 0.426 329 R N 2.182 122.471 120.500 -0.353 0.000 2.744 329 R HA 0.647 4.987 4.340 -0.000 0.000 0.279 329 R C -1.195 175.089 176.300 -0.026 0.000 0.977 329 R CA -0.453 55.522 56.100 -0.207 0.000 0.906 329 R CB 2.167 32.361 30.300 -0.176 0.000 1.197 329 R HN 0.564 nan 8.270 nan 0.000 0.463 330 S N 0.717 116.421 115.700 0.007 0.000 2.798 330 S HA 0.444 4.914 4.470 -0.000 0.000 0.312 330 S C -1.150 173.456 174.600 0.011 0.000 1.122 330 S CA -0.853 57.379 58.200 0.052 0.000 0.949 330 S CB 1.456 64.713 63.200 0.096 0.000 1.235 330 S HN 0.493 nan 8.310 nan 0.000 0.552 331 E N 1.467 121.676 120.200 0.014 0.000 2.248 331 E HA 0.280 4.630 4.350 -0.000 0.000 0.272 331 E C -0.512 176.072 176.600 -0.027 0.000 1.008 331 E CA -0.480 55.914 56.400 -0.010 0.000 0.856 331 E CB 0.722 30.427 29.700 0.008 0.000 1.120 331 E HN 0.362 nan 8.360 nan 0.000 0.397 332 R N 0.931 121.415 120.500 -0.027 0.000 2.446 332 R HA 0.199 4.539 4.340 -0.000 0.000 0.325 332 R C -0.369 175.919 176.300 -0.020 0.000 0.997 332 R CA 0.102 56.194 56.100 -0.014 0.000 1.010 332 R CB 0.075 30.372 30.300 -0.004 0.000 0.946 332 R HN 0.122 nan 8.270 nan 0.000 0.422 333 V N 1.712 121.600 119.914 -0.043 0.000 2.971 333 V HA 0.398 4.518 4.120 -0.000 0.000 0.309 333 V C -0.407 175.645 176.094 -0.071 0.000 1.130 333 V CA -0.693 61.544 62.300 -0.105 0.000 0.964 333 V CB 2.434 34.094 31.823 -0.271 0.000 1.029 333 V HN 0.904 nan 8.190 nan 0.000 0.427 334 S N 2.048 117.740 115.700 -0.013 0.000 2.667 334 S HA 0.714 5.184 4.470 -0.000 0.000 0.292 334 S C -0.806 173.838 174.600 0.074 0.000 1.126 334 S CA -0.545 57.698 58.200 0.072 0.000 0.881 334 S CB 2.267 65.513 63.200 0.077 0.000 1.132 334 S HN 0.801 nan 8.310 nan 0.000 0.492 335 N N 0.902 119.659 118.700 0.095 0.000 2.635 335 N HA 0.198 4.938 4.740 -0.000 0.000 0.252 335 N C -0.364 175.165 175.510 0.031 0.000 1.589 335 N CA -0.311 52.771 53.050 0.053 0.000 0.828 335 N CB -0.030 38.477 38.487 0.035 0.000 1.403 335 N HN 0.793 nan 8.380 nan 0.000 0.518 336 I N -2.115 118.482 120.570 0.045 0.000 3.736 336 I HA 0.574 4.744 4.170 -0.000 0.000 0.338 336 I C 0.525 176.673 176.117 0.052 0.000 1.558 336 I CA -0.358 60.966 61.300 0.040 0.000 1.147 336 I CB 0.553 38.577 38.000 0.040 0.000 1.275 336 I HN 0.103 nan 8.210 nan 0.000 0.454 337 A N 0.163 123.026 122.820 0.073 0.000 2.419 337 A HA 0.204 4.524 4.320 -0.000 0.000 0.233 337 A C 0.510 178.158 177.584 0.106 0.000 1.217 337 A CA -0.253 51.827 52.037 0.071 0.000 0.944 337 A CB -0.088 18.947 19.000 0.058 0.000 1.025 337 A HN 0.503 nan 8.150 nan 0.000 0.524 338 Y N 1.749 122.036 120.300 -0.022 0.000 2.702 338 Y HA 0.231 4.781 4.550 -0.000 0.000 0.336 338 Y C 0.398 176.283 175.900 -0.025 0.000 1.235 338 Y CA 0.410 58.495 58.100 -0.026 0.000 1.492 338 Y CB 0.729 39.166 38.460 -0.038 0.000 1.308 338 Y HN 0.017 nan 8.280 nan 0.000 0.589 339 K N 7.610 127.660 120.400 -0.584 0.000 2.895 339 K HA 0.194 4.514 4.320 -0.000 0.000 0.200 339 K C 0.274 176.451 176.600 -0.705 0.000 1.133 339 K CA 0.085 56.081 56.287 -0.485 0.000 1.060 339 K CB 0.241 32.603 32.500 -0.230 0.000 0.735 339 K HN 0.792 nan 8.250 nan 0.000 0.451 340 I N -1.072 118.562 120.570 -1.560 0.000 4.788 340 I HA -0.424 3.746 4.170 -0.000 0.000 0.041 340 I C 1.769 177.644 176.117 -0.403 0.000 0.631 340 I CA 2.852 63.595 61.300 -0.929 0.000 0.589 340 I CB -2.380 35.411 38.000 -0.348 0.000 0.571 340 I HN 0.314 nan 8.210 nan 0.000 0.153 341 T N -0.632 113.767 114.554 -0.259 0.000 3.067 341 T HA 0.025 4.375 4.350 -0.000 0.000 0.257 341 T C 1.050 175.712 174.700 -0.063 0.000 1.105 341 T CA 0.976 63.015 62.100 -0.102 0.000 1.104 341 T CB -0.333 68.488 68.868 -0.078 0.000 0.925 341 T HN 0.594 nan 8.240 nan 0.000 0.498 342 D N 1.796 122.136 120.400 -0.101 0.000 2.378 342 D HA 0.115 4.755 4.640 -0.000 0.000 0.227 342 D C 1.756 178.080 176.300 0.040 0.000 1.012 342 D CA 0.600 54.581 54.000 -0.032 0.000 0.905 342 D CB -1.096 39.676 40.800 -0.046 0.000 0.895 342 D HN 0.555 nan 8.370 nan 0.000 0.532 343 G N 0.572 109.435 108.800 0.106 0.000 2.200 343 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.268 343 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.268 343 G C 0.456 175.448 174.900 0.153 0.000 0.986 343 G CA 0.513 45.702 45.100 0.149 0.000 0.677 343 G HN 0.485 nan 8.290 nan 0.000 0.532 344 L N 1.149 122.483 121.223 0.185 0.000 2.480 344 L HA 0.309 4.649 4.340 -0.000 0.000 0.243 344 L C 1.358 178.326 176.870 0.163 0.000 1.315 344 L CA -0.117 54.809 54.840 0.143 0.000 1.231 344 L CB -0.087 42.035 42.059 0.105 0.000 1.444 344 L HN 0.519 nan 8.230 nan 0.000 0.409 345 C N -2.188 117.155 119.300 0.072 0.000 2.641 345 C HA 0.546 5.006 4.460 -0.000 0.000 0.294 345 C C 0.415 175.370 174.990 -0.058 0.000 1.496 345 C CA -0.518 58.451 59.018 -0.082 0.000 1.672 345 C CB -0.983 26.550 27.740 -0.345 0.000 2.763 345 C HN 0.473 nan 8.230 nan 0.000 0.545 346 T N 2.635 117.190 114.554 0.000 0.000 2.928 346 T HA 0.467 4.817 4.350 -0.000 0.000 0.296 346 T C -2.962 171.764 174.700 0.043 0.000 1.000 346 T CA -0.547 61.568 62.100 0.025 0.000 0.989 346 T CB 1.831 70.723 68.868 0.039 0.000 1.005 346 T HN 0.099 nan 8.240 nan 0.000 0.442 347 P HA 0.159 nan 4.420 nan 0.000 0.260 347 P C -0.515 176.823 177.300 0.063 0.000 1.185 347 P CA -0.222 62.917 63.100 0.066 0.000 0.763 347 P CB 0.176 31.932 31.700 0.095 0.000 0.776 348 V N 0.823 120.759 119.914 0.037 0.000 2.715 348 V HA 0.507 4.627 4.120 -0.000 0.000 0.310 348 V C 0.137 176.242 176.094 0.018 0.000 1.054 348 V CA -1.519 60.800 62.300 0.032 0.000 0.928 348 V CB 1.863 33.704 31.823 0.029 0.000 1.007 348 V HN 0.300 nan 8.190 nan 0.000 0.437 349 K N 1.948 122.358 120.400 0.017 0.000 2.485 349 K HA 0.158 4.478 4.320 -0.000 0.000 0.277 349 K C -0.700 175.905 176.600 0.009 0.000 0.990 349 K CA 0.350 56.642 56.287 0.009 0.000 0.994 349 K CB 0.335 32.841 32.500 0.010 0.000 0.906 349 K HN 1.000 nan 8.250 nan 0.000 0.488 350 D N 3.001 123.406 120.400 0.009 0.000 2.890 350 D HA 0.072 4.712 4.640 -0.000 0.000 0.233 350 D C -0.274 176.036 176.300 0.017 0.000 1.306 350 D CA -0.335 53.675 54.000 0.016 0.000 0.929 350 D CB 1.531 42.349 40.800 0.029 0.000 1.512 350 D HN 0.513 nan 8.370 nan 0.000 0.568 351 Q N 1.353 121.160 119.800 0.012 0.000 2.415 351 Q HA 0.118 4.457 4.340 -0.000 0.000 0.206 351 Q C 0.702 176.715 176.000 0.021 0.000 0.946 351 Q CA 0.250 56.062 55.803 0.015 0.000 0.951 351 Q CB 0.629 29.370 28.738 0.005 0.000 1.026 351 Q HN 0.264 nan 8.270 nan 0.000 0.510 352 S N -0.258 115.457 115.700 0.025 0.000 2.505 352 S HA 0.234 4.704 4.470 -0.000 0.000 0.216 352 S C 0.706 175.339 174.600 0.056 0.000 1.018 352 S CA -0.113 58.107 58.200 0.032 0.000 0.911 352 S CB 0.542 63.755 63.200 0.021 0.000 0.818 352 S HN 0.363 nan 8.310 nan 0.000 0.497 353 A N 3.498 126.354 122.820 0.060 0.000 2.351 353 A HA 0.563 4.883 4.320 -0.000 0.000 0.257 353 A C -2.281 175.317 177.584 0.023 0.000 1.087 353 A CA -1.341 50.745 52.037 0.082 0.000 0.798 353 A CB -0.005 19.061 19.000 0.109 0.000 1.033 353 A HN 0.148 nan 8.150 nan 0.000 0.488 354 P HA 0.296 nan 4.420 nan 0.000 0.279 354 P C -0.742 176.408 177.300 -0.250 0.000 1.282 354 P CA -0.303 62.685 63.100 -0.187 0.000 0.788 354 P CB 0.678 32.133 31.700 -0.408 0.000 1.139 355 V N 1.038 120.837 119.914 -0.193 0.000 2.383 355 V HA 0.149 4.269 4.120 -0.000 0.000 0.275 355 V C -0.290 175.619 176.094 -0.309 0.000 1.036 355 V CA -0.287 61.940 62.300 -0.123 0.000 0.889 355 V CB -0.406 31.458 31.823 0.069 0.000 0.985 355 V HN 0.323 nan 8.190 nan 0.000 0.459 356 Y N 5.412 125.638 120.300 -0.123 0.000 2.477 356 Y HA 0.532 5.082 4.550 -0.000 0.000 0.349 356 Y C 0.361 176.183 175.900 -0.131 0.000 0.977 356 Y CA -0.306 57.729 58.100 -0.109 0.000 1.214 356 Y CB 0.515 39.002 38.460 0.045 0.000 1.124 356 Y HN 0.450 nan 8.280 nan 0.000 0.521 357 I N 2.615 123.106 120.570 -0.131 0.000 2.525 357 I HA 0.422 4.592 4.170 -0.000 0.000 0.301 357 I C -0.049 176.085 176.117 0.028 0.000 0.992 357 I CA -0.764 60.469 61.300 -0.112 0.000 1.162 357 I CB 2.208 40.072 38.000 -0.226 0.000 1.332 357 I HN 0.519 nan 8.210 nan 0.000 0.458 358 T N 5.384 119.958 114.554 0.034 0.000 2.890 358 T HA 0.490 4.840 4.350 -0.000 0.000 0.295 358 T C -0.363 174.438 174.700 0.169 0.000 0.993 358 T CA -0.615 61.539 62.100 0.090 0.000 0.979 358 T CB 0.726 69.620 68.868 0.043 0.000 0.967 358 T HN 0.432 nan 8.240 nan 0.000 0.441 359 I N 1.680 122.380 120.570 0.217 0.000 3.064 359 I HA 0.453 4.623 4.170 -0.000 0.000 0.340 359 I C 0.813 177.051 176.117 0.201 0.000 1.405 359 I CA -0.746 60.714 61.300 0.266 0.000 0.912 359 I CB -0.219 37.955 38.000 0.289 0.000 1.993 359 I HN 0.813 nan 8.210 nan 0.000 0.547 360 G N 2.229 111.140 108.800 0.185 0.000 3.496 360 G HA2 0.023 3.983 3.960 -0.000 0.000 0.273 360 G HA3 0.023 3.983 3.960 -0.000 0.000 0.273 360 G C 0.347 175.441 174.900 0.322 0.000 1.279 360 G CA -0.020 45.222 45.100 0.237 0.000 1.041 360 G HN 0.630 nan 8.290 nan 0.000 0.539 361 D N -0.504 120.085 120.400 0.315 0.000 2.615 361 D HA 0.265 4.905 4.640 -0.000 0.000 0.236 361 D C 1.545 178.131 176.300 0.477 0.000 1.233 361 D CA -0.050 54.184 54.000 0.390 0.000 0.829 361 D CB 0.505 41.526 40.800 0.369 0.000 1.024 361 D HN 0.089 nan 8.370 nan 0.000 0.490 362 A N -0.159 122.864 122.820 0.338 0.000 2.206 362 A HA 0.511 4.831 4.320 -0.000 0.000 0.211 362 A C 1.770 179.448 177.584 0.158 0.000 1.158 362 A CA 0.965 53.165 52.037 0.272 0.000 0.761 362 A CB -0.026 19.108 19.000 0.225 0.000 0.801 362 A HN 0.529 nan 8.150 nan 0.000 0.473 363 G N -0.680 108.177 108.800 0.096 0.000 3.967 363 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.210 363 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.210 363 G C 0.442 175.137 174.900 -0.341 0.000 1.127 363 G CA 0.484 45.398 45.100 -0.310 0.000 0.887 363 G HN 1.041 nan 8.290 nan 0.000 0.367 364 N N 0.523 119.060 118.700 -0.271 0.000 1.147 364 N HA -0.362 4.378 4.740 -0.000 0.000 0.110 364 N C 0.927 176.115 175.510 -0.538 0.000 0.748 364 N CA 2.196 54.851 53.050 -0.658 0.000 0.836 364 N CB -1.521 36.277 38.487 -1.149 0.000 1.055 364 N HN 1.269 nan 8.380 nan 0.000 0.639 365 Y N -0.472 119.459 120.300 -0.615 0.000 2.801 365 Y HA 0.607 5.157 4.550 -0.000 0.000 0.340 365 Y C 1.615 177.402 175.900 -0.188 0.000 1.088 365 Y CA -0.522 57.366 58.100 -0.353 0.000 1.444 365 Y CB -0.595 37.668 38.460 -0.328 0.000 1.251 365 Y HN 0.943 nan 8.280 nan 0.000 0.522 366 G N -0.033 108.587 108.800 -0.300 0.000 2.160 366 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.244 366 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.244 366 G C -0.622 174.291 174.900 0.021 0.000 1.022 366 G CA 0.121 45.117 45.100 -0.174 0.000 0.741 366 G HN 0.439 nan 8.290 nan 0.000 0.508 367 V N 1.343 121.214 119.914 -0.071 0.000 2.656 367 V HA 0.655 4.775 4.120 -0.000 0.000 0.307 367 V C 0.188 176.343 176.094 0.101 0.000 1.051 367 V CA -1.095 61.212 62.300 0.011 0.000 0.893 367 V CB 2.011 33.703 31.823 -0.217 0.000 0.999 367 V HN 0.248 nan 8.190 nan 0.000 0.426 368 I N 2.798 123.356 120.570 -0.021 0.000 2.460 368 I HA 0.432 4.602 4.170 -0.000 0.000 0.298 368 I C -0.495 175.583 176.117 -0.065 0.000 0.989 368 I CA -0.459 60.732 61.300 -0.181 0.000 1.173 368 I CB 2.134 39.867 38.000 -0.445 0.000 1.338 368 I HN 0.569 nan 8.210 nan 0.000 0.456 369 D N 4.007 124.386 120.400 -0.035 0.000 2.396 369 D HA 0.154 4.794 4.640 -0.000 0.000 0.225 369 D C 0.954 177.318 176.300 0.106 0.000 1.121 369 D CA 0.079 54.073 54.000 -0.010 0.000 0.853 369 D CB 1.430 42.215 40.800 -0.025 0.000 1.043 369 D HN 0.535 nan 8.370 nan 0.000 0.500 370 S N 1.531 117.284 115.700 0.089 0.000 2.497 370 S HA -0.020 4.450 4.470 -0.000 0.000 0.218 370 S C 0.753 175.408 174.600 0.093 0.000 1.023 370 S CA -0.362 57.904 58.200 0.110 0.000 0.913 370 S CB 0.154 63.373 63.200 0.032 0.000 0.800 370 S HN 0.373 nan 8.310 nan 0.000 0.505 371 N N 1.513 120.262 118.700 0.082 0.000 2.420 371 N HA 0.291 5.031 4.740 -0.000 0.000 0.262 371 N C -0.811 174.701 175.510 0.003 0.000 1.144 371 N CA -0.004 53.057 53.050 0.019 0.000 0.952 371 N CB 0.279 38.766 38.487 0.001 0.000 1.081 371 N HN 0.394 nan 8.380 nan 0.000 0.480 372 M N 2.980 122.483 119.600 -0.161 0.000 2.598 372 M HA 0.386 4.866 4.480 -0.000 0.000 0.317 372 M C -0.347 175.799 176.300 -0.257 0.000 1.179 372 M CA -1.035 54.063 55.300 -0.337 0.000 0.936 372 M CB 2.013 34.304 32.600 -0.516 0.000 1.713 372 M HN 0.273 nan 8.290 nan 0.000 0.460 373 I N 2.919 123.315 120.570 -0.290 0.000 2.598 373 I HA -0.040 4.130 4.170 -0.000 0.000 0.284 373 I C 0.108 176.081 176.117 -0.240 0.000 1.140 373 I CA 0.445 61.569 61.300 -0.293 0.000 1.420 373 I CB 0.236 38.011 38.000 -0.376 0.000 1.387 373 I HN 0.460 nan 8.210 nan 0.000 0.553 374 Q N 8.080 127.764 119.800 -0.193 0.000 2.256 374 Q HA 0.520 4.860 4.340 -0.000 0.000 0.257 374 Q C -2.082 173.833 176.000 -0.141 0.000 0.936 374 Q CA -1.681 54.025 55.803 -0.162 0.000 0.903 374 Q CB 1.232 29.891 28.738 -0.130 0.000 1.263 374 Q HN 0.437 nan 8.270 nan 0.000 0.440 375 P HA 0.195 nan 4.420 nan 0.000 0.283 375 P C -0.793 176.399 177.300 -0.180 0.000 1.271 375 P CA -0.705 62.309 63.100 -0.143 0.000 0.841 375 P CB 1.074 32.707 31.700 -0.112 0.000 1.122 376 Q N 2.385 122.068 119.800 -0.195 0.000 2.275 376 Q HA 0.042 4.382 4.340 -0.000 0.000 0.293 376 Q C -1.650 174.193 176.000 -0.261 0.000 1.129 376 Q CA -1.007 54.652 55.803 -0.240 0.000 0.971 376 Q CB 0.003 28.610 28.738 -0.217 0.000 1.098 376 Q HN 0.257 nan 8.270 nan 0.000 0.386 377 P HA -0.029 nan 4.420 nan 0.000 0.272 377 P C -0.382 176.649 177.300 -0.449 0.000 1.230 377 P CA -0.018 62.815 63.100 -0.445 0.000 0.788 377 P CB 0.849 32.106 31.700 -0.738 0.000 0.949 378 E N 1.543 121.584 120.200 -0.265 0.000 2.086 378 E HA -0.280 4.070 4.350 -0.000 0.000 0.200 378 E C 1.938 178.477 176.600 -0.102 0.000 1.012 378 E CA 2.132 58.455 56.400 -0.128 0.000 0.812 378 E CB -1.690 27.997 29.700 -0.022 0.000 0.743 378 E HN 0.676 nan 8.360 nan 0.000 0.453 379 Y N 0.494 120.782 120.300 -0.019 0.000 2.384 379 Y HA 0.027 4.577 4.550 -0.000 0.000 0.289 379 Y C 1.057 176.930 175.900 -0.044 0.000 1.152 379 Y CA 0.641 58.711 58.100 -0.050 0.000 1.258 379 Y CB -0.642 37.779 38.460 -0.065 0.000 0.979 379 Y HN -0.092 nan 8.280 nan 0.000 0.549 380 S N 0.647 116.236 115.700 -0.185 0.000 2.448 380 S HA 0.549 5.019 4.470 -0.000 0.000 0.279 380 S C 1.117 175.692 174.600 -0.042 0.000 1.195 380 S CA -0.077 58.080 58.200 -0.071 0.000 1.051 380 S CB 0.753 63.815 63.200 -0.231 0.000 0.948 380 S HN 0.596 nan 8.310 nan 0.000 0.493 381 A N 4.816 127.653 122.820 0.028 0.000 2.030 381 A HA 0.418 4.738 4.320 -0.000 0.000 0.215 381 A C 0.253 177.926 177.584 0.149 0.000 1.164 381 A CA 0.277 52.350 52.037 0.061 0.000 0.697 381 A CB 0.006 19.044 19.000 0.064 0.000 0.827 381 A HN 0.904 nan 8.150 nan 0.000 0.457 382 F N -0.585 119.321 119.950 -0.074 0.000 2.669 382 F HA 0.549 5.076 4.527 -0.000 0.000 0.315 382 F C -1.581 174.141 175.800 -0.129 0.000 1.109 382 F CA -1.089 56.877 58.000 -0.056 0.000 1.028 382 F CB 0.981 39.988 39.000 0.011 0.000 1.287 382 F HN 0.185 nan 8.300 nan 0.000 0.452 383 R N 3.639 123.873 120.500 -0.443 0.000 2.626 383 R HA 0.741 5.081 4.340 -0.000 0.000 0.274 383 R C -1.822 174.341 176.300 -0.229 0.000 1.031 383 R CA -1.036 54.959 56.100 -0.174 0.000 0.898 383 R CB 2.393 32.601 30.300 -0.152 0.000 1.222 383 R HN 0.668 nan 8.270 nan 0.000 0.455 384 E N 1.425 121.706 120.200 0.136 0.000 2.352 384 E HA 0.540 4.890 4.350 -0.000 0.000 0.280 384 E C -1.413 175.396 176.600 0.348 0.000 0.930 384 E CA -1.018 55.514 56.400 0.220 0.000 0.765 384 E CB 2.208 32.159 29.700 0.420 0.000 1.219 384 E HN 0.772 nan 8.360 nan 0.000 0.434 385 A N 2.688 125.679 122.820 0.285 0.000 3.016 385 A HA 0.527 4.847 4.320 -0.000 0.000 0.303 385 A C -0.722 176.944 177.584 0.137 0.000 1.507 385 A CA -0.112 52.054 52.037 0.214 0.000 1.196 385 A CB 0.049 19.148 19.000 0.166 0.000 1.169 385 A HN 0.306 nan 8.150 nan 0.000 0.544 386 S N -0.151 115.704 115.700 0.257 0.000 2.618 386 S HA 0.741 5.211 4.470 -0.000 0.000 0.277 386 S C -0.892 173.811 174.600 0.170 0.000 1.138 386 S CA -0.437 57.862 58.200 0.164 0.000 0.844 386 S CB 0.788 64.165 63.200 0.295 0.000 1.127 386 S HN 0.404 nan 8.310 nan 0.000 0.474 387 F N 1.478 121.540 119.950 0.188 0.000 2.375 387 F HA 0.733 5.260 4.527 -0.000 0.000 0.333 387 F C 1.213 177.069 175.800 0.092 0.000 1.104 387 F CA 0.384 58.474 58.000 0.150 0.000 1.149 387 F CB 1.225 40.261 39.000 0.061 0.000 1.190 387 F HN 0.772 nan 8.300 nan 0.000 0.533 388 G N 0.869 109.887 108.800 0.364 0.000 2.315 388 G HA2 0.454 4.413 3.960 -0.000 0.000 0.294 388 G HA3 0.454 4.413 3.960 -0.000 0.000 0.294 388 G C -2.073 173.013 174.900 0.309 0.000 1.300 388 G CA -0.838 44.358 45.100 0.160 0.000 0.843 388 G HN 0.939 nan 8.290 nan 0.000 0.527 389 H N -2.183 116.946 119.070 0.097 0.000 2.906 389 H HA 0.884 5.440 4.556 -0.000 0.000 0.337 389 H C 0.224 175.628 175.328 0.128 0.000 1.257 389 H CA -0.636 55.481 56.048 0.114 0.000 1.192 389 H CB 1.793 31.578 29.762 0.039 0.000 1.912 389 H HN 1.136 nan 8.280 nan 0.000 0.573 390 G N -0.047 108.797 108.800 0.074 0.000 2.730 390 G HA2 0.589 4.549 3.960 -0.000 0.000 0.289 390 G HA3 0.589 4.549 3.960 -0.000 0.000 0.289 390 G C -1.377 173.477 174.900 -0.076 0.000 1.341 390 G CA -1.168 43.865 45.100 -0.111 0.000 0.932 390 G HN 0.487 nan 8.290 nan 0.000 0.481 391 M N 0.368 119.798 119.600 -0.283 0.000 2.433 391 M HA 0.409 4.889 4.480 -0.000 0.000 0.290 391 M C -2.069 174.188 176.300 -0.073 0.000 1.173 391 M CA -0.543 54.701 55.300 -0.093 0.000 0.905 391 M CB 2.385 34.914 32.600 -0.118 0.000 1.692 391 M HN 0.510 nan 8.290 nan 0.000 0.462 392 F N 2.603 122.527 119.950 -0.043 0.000 2.500 392 F HA 0.388 4.915 4.527 -0.000 0.000 0.349 392 F C -0.640 175.149 175.800 -0.019 0.000 1.127 392 F CA -0.569 57.450 58.000 0.031 0.000 0.998 392 F CB 0.641 39.708 39.000 0.112 0.000 1.237 392 F HN 0.461 nan 8.300 nan 0.000 0.439 393 D N 7.111 127.299 120.400 -0.354 0.000 2.443 393 D HA 0.281 4.921 4.640 -0.000 0.000 0.221 393 D C -0.124 175.985 176.300 -0.318 0.000 1.097 393 D CA -0.082 53.768 54.000 -0.250 0.000 0.865 393 D CB 0.629 41.303 40.800 -0.210 0.000 1.034 393 D HN 0.459 nan 8.370 nan 0.000 0.511 394 I N 4.288 124.750 120.570 -0.181 0.000 2.471 394 I HA 0.051 4.221 4.170 -0.000 0.000 0.286 394 I C 1.660 177.797 176.117 0.033 0.000 1.079 394 I CA -0.162 61.028 61.300 -0.183 0.000 1.398 394 I CB 1.070 39.028 38.000 -0.071 0.000 1.403 394 I HN 0.177 nan 8.210 nan 0.000 0.530 395 K N 4.012 124.505 120.400 0.155 0.000 2.273 395 K HA 0.275 4.595 4.320 -0.000 0.000 0.206 395 K C 0.456 177.213 176.600 0.261 0.000 1.072 395 K CA 0.553 56.979 56.287 0.231 0.000 0.953 395 K CB 0.256 32.968 32.500 0.353 0.000 1.043 395 K HN 0.548 nan 8.250 nan 0.000 0.477 396 N N 0.023 118.956 118.700 0.388 0.000 3.167 396 N HA 0.160 4.900 4.740 -0.000 0.000 0.323 396 N C 0.669 176.437 175.510 0.429 0.000 1.478 396 N CA -0.207 53.039 53.050 0.327 0.000 0.753 396 N CB 1.605 40.295 38.487 0.339 0.000 1.721 396 N HN -0.050 nan 8.380 nan 0.000 0.618 397 R N -0.919 119.675 120.500 0.157 0.000 2.276 397 R HA 0.081 4.421 4.340 -0.000 0.000 0.196 397 R C 0.885 177.144 176.300 -0.068 0.000 0.961 397 R CA 1.308 57.369 56.100 -0.066 0.000 1.024 397 R CB -0.270 29.704 30.300 -0.544 0.000 0.940 397 R HN 0.531 nan 8.270 nan 0.000 0.480 398 T N -3.118 111.540 114.554 0.174 0.000 2.978 398 T HA 0.204 4.554 4.350 -0.000 0.000 0.248 398 T C 0.501 175.452 174.700 0.417 0.000 1.018 398 T CA -0.161 62.058 62.100 0.199 0.000 1.026 398 T CB -0.023 68.832 68.868 -0.023 0.000 1.032 398 T HN 0.182 nan 8.240 nan 0.000 0.485 399 H N 0.959 120.439 119.070 0.683 0.000 2.495 399 H HA 0.769 5.325 4.556 -0.000 0.000 0.348 399 H C -0.975 174.784 175.328 0.718 0.000 1.113 399 H CA -0.752 55.789 56.048 0.821 0.000 1.195 399 H CB 2.099 32.226 29.762 0.609 0.000 1.521 399 H HN 0.441 nan 8.280 nan 0.000 0.509 400 A N 2.552 125.711 122.820 0.565 0.000 2.520 400 A HA 0.298 4.618 4.320 -0.000 0.000 0.298 400 A C -1.634 175.815 177.584 -0.225 0.000 1.051 400 A CA -0.656 51.240 52.037 -0.234 0.000 0.690 400 A CB 1.814 20.053 19.000 -1.269 0.000 1.281 400 A HN 0.884 nan 8.150 nan 0.000 0.402 401 H N 2.320 120.971 119.070 -0.699 0.000 2.646 401 H HA 0.568 5.124 4.556 -0.000 0.000 0.328 401 H C -1.881 173.143 175.328 -0.506 0.000 0.998 401 H CA -0.495 55.038 56.048 -0.858 0.000 1.225 401 H CB 0.958 29.825 29.762 -1.491 0.000 1.457 401 H HN 0.596 nan 8.280 nan 0.000 0.505 402 F N 3.903 123.526 119.950 -0.545 0.000 2.385 402 F HA 0.394 4.921 4.527 -0.000 0.000 0.336 402 F C -0.778 174.755 175.800 -0.445 0.000 1.100 402 F CA -0.101 57.723 58.000 -0.293 0.000 1.116 402 F CB 1.229 40.397 39.000 0.279 0.000 1.166 402 F HN 0.412 nan 8.300 nan 0.000 0.511 403 S N 4.081 119.009 115.700 -1.287 0.000 2.569 403 S HA 0.437 4.907 4.470 -0.000 0.000 0.280 403 S C -2.110 171.952 174.600 -0.896 0.000 1.111 403 S CA -0.649 57.041 58.200 -0.850 0.000 0.887 403 S CB 1.716 64.542 63.200 -0.622 0.000 1.095 403 S HN 0.726 nan 8.310 nan 0.000 0.476 404 W N 3.620 124.506 121.300 -0.690 0.000 2.587 404 W HA 0.468 5.128 4.660 -0.000 0.000 0.324 404 W C -1.195 175.043 176.519 -0.470 0.000 1.008 404 W CA -0.704 56.252 57.345 -0.648 0.000 1.265 404 W CB 0.770 29.747 29.460 -0.805 0.000 1.328 404 W HN 0.733 nan 8.180 nan 0.000 0.432 405 N N 6.103 124.323 118.700 -0.800 0.000 2.439 405 N HA 0.317 5.057 4.740 -0.000 0.000 0.249 405 N C -0.239 174.770 175.510 -0.835 0.000 1.003 405 N CA -0.218 52.412 53.050 -0.700 0.000 0.942 405 N CB 0.852 39.059 38.487 -0.467 0.000 1.115 405 N HN 0.534 nan 8.380 nan 0.000 0.505 406 R N 2.412 122.403 120.500 -0.848 0.000 2.641 406 R HA 0.080 4.420 4.340 -0.000 0.000 0.269 406 R C 0.981 177.158 176.300 -0.205 0.000 1.074 406 R CA -0.515 55.167 56.100 -0.697 0.000 1.133 406 R CB 0.531 30.468 30.300 -0.604 0.000 1.029 406 R HN 0.582 nan 8.270 nan 0.000 0.488 407 N N 1.457 120.075 118.700 -0.136 0.000 2.244 407 N HA -0.140 4.600 4.740 -0.000 0.000 0.183 407 N C 1.313 176.857 175.510 0.057 0.000 1.016 407 N CA 1.324 54.287 53.050 -0.145 0.000 0.866 407 N CB 0.107 38.528 38.487 -0.109 0.000 0.980 407 N HN 0.463 nan 8.380 nan 0.000 0.430 408 Q N 0.352 120.172 119.800 0.035 0.000 2.224 408 Q HA 0.008 4.348 4.340 -0.000 0.000 0.203 408 Q C -0.047 175.987 176.000 0.056 0.000 0.970 408 Q CA 0.737 56.571 55.803 0.052 0.000 0.865 408 Q CB 0.008 28.765 28.738 0.031 0.000 0.922 408 Q HN 0.363 nan 8.270 nan 0.000 0.445 409 D N -0.008 120.410 120.400 0.030 0.000 2.398 409 D HA 0.282 4.922 4.640 -0.000 0.000 0.247 409 D C 0.438 176.742 176.300 0.007 0.000 1.227 409 D CA 0.145 54.142 54.000 -0.004 0.000 0.980 409 D CB 0.251 41.009 40.800 -0.071 0.000 1.106 409 D HN 0.175 nan 8.370 nan 0.000 0.493 410 G N -0.914 107.849 108.800 -0.062 0.000 2.562 410 G HA2 0.263 4.223 3.960 -0.000 0.000 0.275 410 G HA3 0.263 4.223 3.960 -0.000 0.000 0.275 410 G C 1.216 175.969 174.900 -0.246 0.000 1.196 410 G CA -0.611 44.411 45.100 -0.130 0.000 0.908 410 G HN 0.263 nan 8.290 nan 0.000 0.524 411 V N 0.923 120.617 119.914 -0.368 0.000 2.439 411 V HA -0.250 3.870 4.120 -0.000 0.000 0.253 411 V C 2.833 178.804 176.094 -0.205 0.000 1.074 411 V CA 2.653 64.717 62.300 -0.395 0.000 1.076 411 V CB -0.562 31.078 31.823 -0.305 0.000 0.664 411 V HN 0.832 nan 8.190 nan 0.000 0.461 412 A N -1.235 121.495 122.820 -0.149 0.000 2.348 412 A HA 0.303 4.623 4.320 -0.000 0.000 0.224 412 A C 0.774 178.301 177.584 -0.094 0.000 1.227 412 A CA 0.005 51.979 52.037 -0.105 0.000 0.885 412 A CB 0.174 19.127 19.000 -0.080 0.000 0.933 412 A HN 0.285 nan 8.150 nan 0.000 0.506 413 V N 2.251 122.101 119.914 -0.108 0.000 2.356 413 V HA 0.089 4.209 4.120 -0.000 0.000 0.258 413 V C -0.183 175.834 176.094 -0.129 0.000 1.065 413 V CA -0.324 61.920 62.300 -0.093 0.000 0.935 413 V CB 0.238 32.014 31.823 -0.078 0.000 1.061 413 V HN 0.479 nan 8.190 nan 0.000 0.484 414 E N 3.811 123.949 120.200 -0.104 0.000 1.944 414 E HA 0.268 4.618 4.350 -0.000 0.000 0.272 414 E C 1.094 177.647 176.600 -0.078 0.000 1.195 414 E CA -0.009 56.314 56.400 -0.128 0.000 0.926 414 E CB 0.998 30.646 29.700 -0.086 0.000 1.051 414 E HN 0.802 nan 8.360 nan 0.000 0.404 415 A N 3.737 126.483 122.820 -0.124 0.000 2.216 415 A HA -0.099 4.221 4.320 -0.000 0.000 0.214 415 A C 0.594 178.272 177.584 0.155 0.000 1.160 415 A CA 0.796 52.841 52.037 0.013 0.000 0.725 415 A CB 0.151 19.092 19.000 -0.098 0.000 0.784 415 A HN 0.528 nan 8.150 nan 0.000 0.472 416 D N -1.760 118.680 120.400 0.066 0.000 2.769 416 D HA 0.450 5.090 4.640 -0.000 0.000 0.219 416 D C -1.600 174.700 176.300 -0.001 0.000 1.245 416 D CA 0.242 54.233 54.000 -0.016 0.000 0.801 416 D CB 1.671 42.379 40.800 -0.153 0.000 1.598 416 D HN 0.035 nan 8.370 nan 0.000 0.485 417 S N 1.602 117.328 115.700 0.044 0.000 2.535 417 S HA 0.768 5.238 4.470 -0.000 0.000 0.272 417 S C -2.008 172.681 174.600 0.149 0.000 1.149 417 S CA -0.402 57.850 58.200 0.085 0.000 0.888 417 S CB 1.253 64.550 63.200 0.162 0.000 1.110 417 S HN 0.277 nan 8.310 nan 0.000 0.463 418 V N 2.951 122.969 119.914 0.174 0.000 3.000 418 V HA 0.553 4.673 4.120 -0.000 0.000 0.300 418 V C -1.533 174.625 176.094 0.107 0.000 1.251 418 V CA -0.715 61.666 62.300 0.135 0.000 0.972 418 V CB 1.981 33.851 31.823 0.078 0.000 1.065 418 V HN 0.957 nan 8.190 nan 0.000 0.431 419 W N 2.468 123.778 121.300 0.017 0.000 2.469 419 W HA 0.745 5.405 4.660 -0.000 0.000 0.320 419 W C -0.628 175.682 176.519 -0.349 0.000 1.086 419 W CA -0.284 57.047 57.345 -0.023 0.000 1.211 419 W CB 1.430 30.839 29.460 -0.084 0.000 1.298 419 W HN 0.369 nan 8.180 nan 0.000 0.525 420 F N 3.443 123.429 119.950 0.059 0.000 2.427 420 F HA 0.420 4.947 4.527 -0.000 0.000 0.346 420 F C -0.437 175.502 175.800 0.233 0.000 1.120 420 F CA -0.783 57.270 58.000 0.088 0.000 1.033 420 F CB 0.569 39.720 39.000 0.252 0.000 1.126 420 F HN -0.043 nan 8.300 nan 0.000 0.462 421 F N 2.780 123.002 119.950 0.454 0.000 2.404 421 F HA 0.218 4.745 4.527 -0.000 0.000 0.354 421 F C 0.640 176.630 175.800 0.317 0.000 1.122 421 F CA -1.653 56.545 58.000 0.330 0.000 1.080 421 F CB 0.560 39.656 39.000 0.161 0.000 1.131 421 F HN 0.382 nan 8.300 nan 0.000 0.471 422 N N 3.650 122.586 118.700 0.393 0.000 2.374 422 N HA -0.099 4.641 4.740 -0.000 0.000 0.269 422 N C 1.185 176.772 175.510 0.128 0.000 1.310 422 N CA 0.026 53.061 53.050 -0.024 0.000 0.877 422 N CB 0.555 38.850 38.487 -0.321 0.000 1.096 422 N HN 0.464 nan 8.380 nan 0.000 0.484 423 R N 2.053 122.624 120.500 0.118 0.000 2.316 423 R HA -0.184 4.156 4.340 -0.000 0.000 0.232 423 R C 1.115 177.459 176.300 0.073 0.000 1.137 423 R CA 1.097 57.260 56.100 0.105 0.000 1.012 423 R CB -0.710 29.651 30.300 0.102 0.000 0.859 423 R HN 0.751 nan 8.270 nan 0.000 0.474 424 H N -2.787 116.264 119.070 -0.031 0.000 2.594 424 H HA 0.059 4.615 4.556 -0.000 0.000 0.274 424 H C 1.085 176.286 175.328 -0.213 0.000 0.982 424 H CA 0.300 56.260 56.048 -0.145 0.000 1.228 424 H CB 0.100 29.738 29.762 -0.206 0.000 1.447 424 H HN 0.065 nan 8.280 nan 0.000 0.485 425 W N -0.597 120.755 121.300 0.086 0.000 3.177 425 W HA 0.239 4.899 4.660 -0.000 0.000 0.309 425 W C -0.614 175.997 176.519 0.154 0.000 1.224 425 W CA -0.126 57.271 57.345 0.086 0.000 1.718 425 W CB 0.768 30.282 29.460 0.090 0.000 1.078 425 W HN 0.137 nan 8.180 nan 0.000 0.618 426 Y N 0.703 121.091 120.300 0.148 0.000 2.782 426 Y HA 0.240 4.790 4.550 -0.000 0.000 0.264 426 Y C -2.782 173.146 175.900 0.047 0.000 1.020 426 Y CA -2.902 55.238 58.100 0.067 0.000 1.223 426 Y CB 0.237 38.735 38.460 0.063 0.000 1.137 426 Y HN -0.218 nan 8.280 nan 0.000 0.560 427 P HA 0.096 nan 4.420 nan 0.000 0.232 427 P C -0.355 176.830 177.300 -0.193 0.000 1.738 427 P CA 0.488 63.537 63.100 -0.086 0.000 0.948 427 P CB -0.391 31.266 31.700 -0.071 0.000 1.943 428 V N -2.486 117.219 119.914 -0.349 0.000 2.472 428 V HA 0.398 4.518 4.120 -0.000 0.000 0.290 428 V C 0.347 176.439 176.094 -0.003 0.000 1.037 428 V CA -1.071 61.013 62.300 -0.360 0.000 0.908 428 V CB 1.527 32.839 31.823 -0.851 0.000 0.985 428 V HN 0.071 nan 8.190 nan 0.000 0.454 429 D N 3.854 124.267 120.400 0.023 0.000 2.554 429 D HA -0.087 4.553 4.640 -0.000 0.000 0.251 429 D C 0.331 176.772 176.300 0.234 0.000 1.213 429 D CA 0.747 54.806 54.000 0.099 0.000 0.900 429 D CB 1.034 41.861 40.800 0.046 0.000 1.135 429 D HN 0.922 nan 8.370 nan 0.000 0.522 430 D N 0.748 121.262 120.400 0.191 0.000 2.367 430 D HA -0.033 4.607 4.640 -0.000 0.000 0.207 430 D C 0.348 176.626 176.300 -0.037 0.000 1.034 430 D CA -0.298 53.723 54.000 0.036 0.000 0.861 430 D CB -0.201 40.382 40.800 -0.362 0.000 0.943 430 D HN 0.031 nan 8.370 nan 0.000 0.515 431 S N 0.805 116.497 115.700 -0.014 0.000 2.555 431 S HA 0.383 4.853 4.470 -0.000 0.000 0.293 431 S C 0.377 174.982 174.600 0.008 0.000 1.248 431 S CA 0.317 58.504 58.200 -0.022 0.000 1.096 431 S CB -0.243 62.951 63.200 -0.010 0.000 0.881 431 S HN 0.580 nan 8.310 nan 0.000 0.498 432 T N 0.000 114.557 114.554 0.004 0.000 3.816 432 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 432 T CA 0.000 62.120 62.100 0.034 0.000 1.349 432 T CB 0.000 68.900 68.868 0.053 0.000 0.612 432 T HN 0.000 nan 8.240 nan 0.000 0.658