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 1gpe_1_A DATA FIRST_RESID 1 DATA SEQUENCE YLPAQQIDVQ SSLLSDPSKV AGKTYDYIIA GGGLTGLTVA AKLTENPKIK DATA SEQUENCE VLVIEKGFYE SNDGAIIEDP NAYGQIFGTT VDQNYLTVPL INNRTNNIKA DATA SEQUENCE GKGLGGSTLI NGDSWTRPDK VQIDSWEKVF GMEGWNWDNM FEYMKKAEAA DATA SEQUENCE RTPTAAQLAA GHSFNATcHG TNGTVQSGAR DNGQPWSPIM KALMNTVSAL DATA SEQUENCE GVPVQQDFLc GHPRGVSMIM NNLDENQVRV DAARAWLLPN YQRSNLEILT DATA SEQUENCE GQMVGKVLFK QTASGPQAVG VNFGTNKAVN FDVFAKHEVL LAAGSAISPL DATA SEQUENCE ILEYSGIGLK SVLDQANVTQ LLDLPVGINM QDQTTTTVSS RASSAGAGQG DATA SEQUENCE QAVFFANFTE TFGDYAPQAR DLLNTKLDQW AEETVARGGF HNVTALKVQY DATA SEQUENCE ENYRNWLLDE DVAFAELFMD TEGKINFDLW DLIPFTRGSV HILSSDPYLW DATA SEQUENCE QFANDPKFFL NEFDLLGQAA ASKLARDLTS QGAMKEYFAG ETLPGYNLVQ DATA SEQUENCE NATLSQWSDY VLQNFRPNWH AVSSCSMMSR ELGGVVDATA KVYGTQGLRV DATA SEQUENCE IDGSIPPTQV SSHVMTIFYG MALKVADAIL DDYAKSA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 Y HA 0.000 nan 4.550 nan 0.000 0.201 1 Y C 0.000 175.886 175.900 -0.023 0.000 1.272 1 Y CA 0.000 58.085 58.100 -0.025 0.000 1.940 1 Y CB 0.000 38.447 38.460 -0.022 0.000 1.050 2 L N 8.576 129.244 121.223 -0.925 0.000 2.482 2 L HA 0.707 5.050 4.340 0.005 0.000 0.269 2 L C -2.667 173.661 176.870 -0.905 0.000 0.967 2 L CA -1.754 52.652 54.840 -0.724 0.000 0.851 2 L CB 1.969 43.834 42.059 -0.324 0.000 1.242 2 L HN 0.469 nan 8.230 nan 0.000 0.404 3 P HA 0.245 nan 4.420 nan 0.000 0.264 3 P C -0.748 176.440 177.300 -0.186 0.000 1.229 3 P CA 0.056 62.960 63.100 -0.326 0.000 0.780 3 P CB 0.729 32.386 31.700 -0.071 0.000 0.808 4 A N 3.612 126.353 122.820 -0.131 0.000 2.256 4 A HA 0.418 4.741 4.320 0.005 0.000 0.318 4 A C 0.201 177.770 177.584 -0.025 0.000 1.103 4 A CA -0.628 51.364 52.037 -0.074 0.000 0.860 4 A CB 0.398 19.360 19.000 -0.063 0.000 1.182 4 A HN 0.455 nan 8.150 nan 0.000 0.501 5 Q N 0.651 120.442 119.800 -0.016 0.000 2.286 5 Q HA 0.264 4.607 4.340 0.005 0.000 0.267 5 Q C -0.628 175.383 176.000 0.018 0.000 1.028 5 Q CA 0.457 56.261 55.803 0.002 0.000 0.901 5 Q CB 0.419 29.156 28.738 -0.002 0.000 1.183 5 Q HN 0.561 nan 8.270 nan 0.000 0.392 6 Q N 3.347 123.167 119.800 0.034 0.000 2.257 6 Q HA 0.425 4.768 4.340 0.005 0.000 0.262 6 Q C -0.423 175.607 176.000 0.050 0.000 0.997 6 Q CA -0.707 55.130 55.803 0.057 0.000 0.873 6 Q CB 1.529 30.318 28.738 0.086 0.000 1.312 6 Q HN 0.746 nan 8.270 nan 0.000 0.450 7 I N 1.423 122.022 120.570 0.048 0.000 2.529 7 I HA -0.059 4.114 4.170 0.005 0.000 0.284 7 I C 0.572 176.659 176.117 -0.050 0.000 1.082 7 I CA -0.130 61.168 61.300 -0.004 0.000 1.406 7 I CB 0.481 38.467 38.000 -0.025 0.000 1.405 7 I HN 0.445 nan 8.210 nan 0.000 0.548 8 D N 6.467 126.822 120.400 -0.076 0.000 2.517 8 D HA 0.098 4.741 4.640 0.005 0.000 0.220 8 D C 0.858 176.976 176.300 -0.304 0.000 1.158 8 D CA -0.135 53.805 54.000 -0.101 0.000 0.992 8 D CB 0.713 41.490 40.800 -0.038 0.000 1.058 8 D HN 0.264 nan 8.370 nan 0.000 0.516 9 V N 2.844 122.352 119.914 -0.678 0.000 2.407 9 V HA -0.251 3.872 4.120 0.005 0.000 0.248 9 V C 2.430 178.164 176.094 -0.600 0.000 1.055 9 V CA 1.598 63.243 62.300 -1.091 0.000 1.049 9 V CB -0.621 30.059 31.823 -1.906 0.000 0.662 9 V HN 0.486 nan 8.190 nan 0.000 0.455 10 Q N 0.816 120.411 119.800 -0.342 0.000 2.112 10 Q HA -0.223 4.120 4.340 0.005 0.000 0.206 10 Q C 2.266 178.244 176.000 -0.035 0.000 0.987 10 Q CA 2.486 58.258 55.803 -0.051 0.000 0.858 10 Q CB -0.664 28.138 28.738 0.107 0.000 0.905 10 Q HN 0.580 nan 8.270 nan 0.000 0.420 11 S N -0.567 115.102 115.700 -0.052 0.000 2.440 11 S HA -0.072 4.402 4.470 0.005 0.000 0.238 11 S C 1.575 176.178 174.600 0.006 0.000 1.010 11 S CA 1.071 59.263 58.200 -0.014 0.000 0.972 11 S CB -0.135 63.056 63.200 -0.014 0.000 0.774 11 S HN 0.366 nan 8.310 nan 0.000 0.501 12 S N 0.528 116.226 115.700 -0.003 0.000 2.556 12 S HA 0.339 4.813 4.470 0.005 0.000 0.216 12 S C 0.461 175.108 174.600 0.078 0.000 0.970 12 S CA -0.095 58.153 58.200 0.079 0.000 0.912 12 S CB 0.129 63.474 63.200 0.241 0.000 0.790 12 S HN 0.311 nan 8.310 nan 0.000 0.504 13 L N 0.970 122.214 121.223 0.035 0.000 2.416 13 L HA 0.544 4.887 4.340 0.005 0.000 0.263 13 L C -0.288 176.613 176.870 0.051 0.000 1.065 13 L CA -0.966 53.901 54.840 0.046 0.000 0.798 13 L CB 0.561 42.641 42.059 0.035 0.000 1.267 13 L HN 0.030 nan 8.230 nan 0.000 0.467 14 L N 0.213 121.458 121.223 0.038 0.000 2.334 14 L HA 0.290 4.633 4.340 0.005 0.000 0.277 14 L C 0.577 177.479 176.870 0.053 0.000 1.075 14 L CA 0.042 54.903 54.840 0.034 0.000 0.804 14 L CB 1.564 43.626 42.059 0.005 0.000 1.174 14 L HN 0.800 nan 8.230 nan 0.000 0.438 15 S N -1.911 113.834 115.700 0.075 0.000 2.787 15 S HA 0.112 4.586 4.470 0.005 0.000 0.255 15 S C -0.103 174.552 174.600 0.092 0.000 1.051 15 S CA -0.535 57.741 58.200 0.126 0.000 1.124 15 S CB 0.232 63.558 63.200 0.210 0.000 1.104 15 S HN 0.602 nan 8.310 nan 0.000 0.623 16 D N 3.268 123.696 120.400 0.046 0.000 2.373 16 D HA 0.387 5.030 4.640 0.005 0.000 0.227 16 D C -1.716 174.561 176.300 -0.038 0.000 1.091 16 D CA -2.199 51.810 54.000 0.015 0.000 0.840 16 D CB 2.090 42.895 40.800 0.008 0.000 1.060 16 D HN 0.006 nan 8.370 nan 0.000 0.502 17 P HA -0.127 nan 4.420 nan 0.000 0.221 17 P C 1.218 178.228 177.300 -0.483 0.000 1.150 17 P CA 0.708 63.697 63.100 -0.186 0.000 0.800 17 P CB 0.127 31.700 31.700 -0.212 0.000 0.787 18 S N -0.423 114.999 115.700 -0.462 0.000 2.447 18 S HA -0.064 4.410 4.470 0.005 0.000 0.233 18 S C 1.790 176.314 174.600 -0.126 0.000 1.006 18 S CA 0.632 58.634 58.200 -0.330 0.000 0.957 18 S CB -0.769 62.346 63.200 -0.141 0.000 0.773 18 S HN 0.033 nan 8.310 nan 0.000 0.507 19 K N 1.193 121.548 120.400 -0.075 0.000 2.366 19 K HA 0.112 4.435 4.320 0.005 0.000 0.198 19 K C 2.058 178.675 176.600 0.029 0.000 1.044 19 K CA 1.218 57.500 56.287 -0.009 0.000 0.973 19 K CB -0.112 32.392 32.500 0.006 0.000 0.767 19 K HN 0.615 nan 8.250 nan 0.000 0.475 20 V N -2.349 117.585 119.914 0.032 0.000 3.570 20 V HA 0.380 4.503 4.120 0.005 0.000 0.257 20 V C 0.811 177.014 176.094 0.181 0.000 1.272 20 V CA -0.053 62.323 62.300 0.127 0.000 1.079 20 V CB -0.058 31.810 31.823 0.075 0.000 0.829 20 V HN 0.002 nan 8.190 nan 0.000 0.454 21 A N 1.163 124.069 122.820 0.142 0.000 2.566 21 A HA 0.441 4.765 4.320 0.005 0.000 0.245 21 A C 1.698 179.398 177.584 0.193 0.000 1.056 21 A CA 1.060 53.217 52.037 0.199 0.000 0.757 21 A CB -1.060 17.958 19.000 0.031 0.000 0.979 21 A HN 2.171 nan 8.150 nan 0.000 0.508 22 G N 1.935 110.874 108.800 0.232 0.000 2.199 22 G HA2 -0.245 3.719 3.960 0.005 0.000 0.254 22 G HA3 -0.245 3.719 3.960 0.005 0.000 0.254 22 G C 0.431 175.524 174.900 0.321 0.000 0.982 22 G CA 0.769 46.064 45.100 0.324 0.000 0.632 22 G HN 0.867 nan 8.290 nan 0.000 0.529 23 K N 0.370 120.901 120.400 0.219 0.000 2.120 23 K HA 0.553 4.876 4.320 0.005 0.000 0.245 23 K C -0.133 176.561 176.600 0.156 0.000 1.024 23 K CA 0.290 56.630 56.287 0.089 0.000 0.906 23 K CB 0.565 33.015 32.500 -0.084 0.000 1.051 23 K HN 0.087 nan 8.250 nan 0.000 0.491 24 T N 1.518 116.045 114.554 -0.044 0.000 2.812 24 T HA 0.394 4.748 4.350 0.005 0.000 0.282 24 T C -1.234 173.341 174.700 -0.208 0.000 0.990 24 T CA -0.557 61.568 62.100 0.041 0.000 0.960 24 T CB 0.288 69.188 68.868 0.054 0.000 0.948 24 T HN 0.270 nan 8.240 nan 0.000 0.438 25 Y N 0.664 121.014 120.300 0.083 0.000 2.621 25 Y HA 0.354 4.908 4.550 0.006 0.000 0.334 25 Y C 1.473 177.403 175.900 0.050 0.000 1.074 25 Y CA -1.055 57.083 58.100 0.062 0.000 1.149 25 Y CB 1.049 39.537 38.460 0.047 0.000 1.302 25 Y HN 0.520 nan 8.280 nan 0.000 0.501 26 D N -0.068 120.467 120.400 0.226 0.000 2.103 26 D HA -0.118 4.525 4.640 0.005 0.000 0.199 26 D C -0.600 175.528 176.300 -0.286 0.000 0.978 26 D CA 1.899 55.941 54.000 0.070 0.000 0.829 26 D CB 0.062 40.923 40.800 0.100 0.000 0.981 26 D HN 0.358 nan 8.370 nan 0.000 0.464 27 Y N -0.712 119.697 120.300 0.181 0.000 2.462 27 Y HA 0.491 5.044 4.550 0.005 0.000 0.346 27 Y C -0.097 175.822 175.900 0.031 0.000 0.976 27 Y CA -0.784 57.376 58.100 0.099 0.000 1.044 27 Y CB 2.064 40.539 38.460 0.025 0.000 1.230 27 Y HN -0.301 nan 8.280 nan 0.000 0.455 28 I N 4.420 125.074 120.570 0.140 0.000 2.436 28 I HA 0.427 4.600 4.170 0.005 0.000 0.289 28 I C -0.898 175.223 176.117 0.007 0.000 1.010 28 I CA -0.527 60.769 61.300 -0.005 0.000 1.098 28 I CB 1.510 39.485 38.000 -0.042 0.000 1.266 28 I HN 0.435 nan 8.210 nan 0.000 0.434 29 I N 5.652 126.191 120.570 -0.051 0.000 2.362 29 I HA 0.438 4.612 4.170 0.005 0.000 0.289 29 I C 0.285 176.361 176.117 -0.068 0.000 0.994 29 I CA -0.581 60.691 61.300 -0.046 0.000 1.158 29 I CB 1.788 39.753 38.000 -0.058 0.000 1.315 29 I HN 0.595 nan 8.210 nan 0.000 0.451 30 A N 5.477 128.271 122.820 -0.043 0.000 2.415 30 A HA 0.705 5.028 4.320 0.005 0.000 0.309 30 A C 0.519 178.080 177.584 -0.038 0.000 1.356 30 A CA -0.033 51.985 52.037 -0.031 0.000 0.998 30 A CB -0.217 18.788 19.000 0.008 0.000 1.145 30 A HN 1.078 nan 8.150 nan 0.000 0.545 31 G N 1.195 109.964 108.800 -0.051 0.000 3.438 31 G HA2 0.356 4.319 3.960 0.005 0.000 0.684 31 G HA3 0.356 4.319 3.960 0.005 0.000 0.684 31 G C 0.091 174.961 174.900 -0.051 0.000 1.192 31 G CA -0.310 44.759 45.100 -0.052 0.000 1.013 31 G HN 1.591 nan 8.290 nan 0.000 0.530 32 G N 0.886 109.660 108.800 -0.043 0.000 4.464 32 G HA2 0.692 4.656 3.960 0.005 0.000 0.297 32 G HA3 0.692 4.656 3.960 0.005 0.000 0.297 32 G C 0.793 175.698 174.900 0.008 0.000 1.342 32 G CA 0.819 45.909 45.100 -0.017 0.000 1.335 32 G HN 1.208 nan 8.290 nan 0.000 0.609 33 G N -0.126 108.672 108.800 -0.003 0.000 2.695 33 G HA2 0.368 4.332 3.960 0.005 0.000 0.213 33 G HA3 0.368 4.332 3.960 0.005 0.000 0.213 33 G C 1.114 176.033 174.900 0.032 0.000 1.406 33 G CA -0.484 44.626 45.100 0.016 0.000 1.049 33 G HN 0.316 nan 8.290 nan 0.000 0.573 34 L N -0.152 121.085 121.223 0.022 0.000 1.956 34 L HA -0.131 4.212 4.340 0.005 0.000 0.216 34 L C 3.221 180.039 176.870 -0.086 0.000 1.073 34 L CA 2.927 57.755 54.840 -0.020 0.000 0.762 34 L CB -0.508 41.486 42.059 -0.107 0.000 0.889 34 L HN 0.703 nan 8.230 nan 0.000 0.433 35 T N -3.576 110.912 114.554 -0.110 0.000 2.857 35 T HA -0.034 4.319 4.350 0.005 0.000 0.266 35 T C 1.868 176.486 174.700 -0.136 0.000 1.048 35 T CA 0.694 62.709 62.100 -0.143 0.000 1.139 35 T CB -1.133 67.637 68.868 -0.163 0.000 0.874 35 T HN 0.475 nan 8.240 nan 0.000 0.455 36 G N 1.621 110.362 108.800 -0.097 0.000 2.418 36 G HA2 -0.036 3.927 3.960 0.005 0.000 0.217 36 G HA3 -0.036 3.927 3.960 0.005 0.000 0.217 36 G C 1.540 176.390 174.900 -0.084 0.000 1.158 36 G CA 0.692 45.740 45.100 -0.086 0.000 0.771 36 G HN 0.507 nan 8.290 nan 0.000 0.545 37 L N 0.284 121.479 121.223 -0.047 0.000 2.109 37 L HA -0.033 4.310 4.340 0.005 0.000 0.207 37 L C 3.183 179.965 176.870 -0.147 0.000 1.086 37 L CA 1.296 56.135 54.840 -0.001 0.000 0.760 37 L CB -0.676 41.468 42.059 0.142 0.000 0.910 37 L HN 0.182 nan 8.230 nan 0.000 0.437 38 T N -0.283 114.043 114.554 -0.380 0.000 2.652 38 T HA -0.173 4.181 4.350 0.005 0.000 0.267 38 T C 1.990 176.350 174.700 -0.566 0.000 1.039 38 T CA 1.464 63.002 62.100 -0.936 0.000 1.153 38 T CB -0.251 68.168 68.868 -0.749 0.000 0.863 38 T HN 0.054 nan 8.240 nan 0.000 0.428 39 V N 1.656 121.374 119.914 -0.327 0.000 2.358 39 V HA -0.133 3.990 4.120 0.005 0.000 0.246 39 V C 2.886 178.859 176.094 -0.202 0.000 1.047 39 V CA 1.561 63.713 62.300 -0.247 0.000 1.035 39 V CB -1.226 30.478 31.823 -0.199 0.000 0.658 39 V HN 0.532 nan 8.190 nan 0.000 0.452 40 A N 0.089 122.820 122.820 -0.148 0.000 1.902 40 A HA -0.134 4.189 4.320 0.005 0.000 0.217 40 A C 2.422 179.978 177.584 -0.047 0.000 1.181 40 A CA 2.153 54.137 52.037 -0.088 0.000 0.623 40 A CB -0.736 18.241 19.000 -0.040 0.000 0.818 40 A HN 0.565 nan 8.150 nan 0.000 0.443 41 A N -0.416 122.394 122.820 -0.016 0.000 1.898 41 A HA -0.111 4.212 4.320 0.005 0.000 0.216 41 A C 2.083 179.698 177.584 0.051 0.000 1.181 41 A CA 1.747 53.847 52.037 0.104 0.000 0.620 41 A CB -0.322 18.893 19.000 0.359 0.000 0.819 41 A HN 0.333 nan 8.150 nan 0.000 0.442 42 K N 0.127 120.496 120.400 -0.052 0.000 2.057 42 K HA -0.011 4.312 4.320 0.005 0.000 0.207 42 K C 1.881 178.430 176.600 -0.085 0.000 1.049 42 K CA 1.103 57.362 56.287 -0.047 0.000 0.931 42 K CB -0.797 31.639 32.500 -0.106 0.000 0.714 42 K HN 0.563 nan 8.250 nan 0.000 0.440 43 L N 1.108 122.240 121.223 -0.151 0.000 2.093 43 L HA -0.123 4.220 4.340 0.005 0.000 0.208 43 L C 2.143 178.927 176.870 -0.143 0.000 1.085 43 L CA 1.711 56.421 54.840 -0.217 0.000 0.755 43 L CB -1.002 40.856 42.059 -0.335 0.000 0.904 43 L HN 0.260 nan 8.230 nan 0.000 0.435 44 T N -4.406 110.106 114.554 -0.070 0.000 3.194 44 T HA 0.007 4.360 4.350 0.005 0.000 0.251 44 T C 1.313 176.007 174.700 -0.011 0.000 1.132 44 T CA 0.093 62.176 62.100 -0.028 0.000 1.028 44 T CB -0.020 68.852 68.868 0.007 0.000 0.976 44 T HN 0.318 nan 8.240 nan 0.000 0.535 45 E N 1.492 121.686 120.200 -0.011 0.000 2.150 45 E HA -0.049 4.304 4.350 0.005 0.000 0.193 45 E C 0.807 177.401 176.600 -0.010 0.000 0.985 45 E CA 0.321 56.725 56.400 0.006 0.000 0.814 45 E CB 0.015 29.727 29.700 0.021 0.000 0.752 45 E HN 0.407 nan 8.360 nan 0.000 0.466 46 N N 1.100 119.774 118.700 -0.042 0.000 2.406 46 N HA 0.010 4.753 4.740 0.005 0.000 0.251 46 N C -1.881 173.610 175.510 -0.032 0.000 1.069 46 N CA -1.873 51.150 53.050 -0.044 0.000 0.947 46 N CB 1.125 39.547 38.487 -0.108 0.000 1.111 46 N HN -0.133 nan 8.380 nan 0.000 0.497 47 P HA -0.116 nan 4.420 nan 0.000 0.223 47 P C 0.392 177.706 177.300 0.023 0.000 1.144 47 P CA 1.042 64.148 63.100 0.011 0.000 0.783 47 P CB 0.462 32.172 31.700 0.016 0.000 0.771 48 K N -0.606 119.812 120.400 0.029 0.000 2.426 48 K HA 0.190 4.513 4.320 0.005 0.000 0.193 48 K C 1.048 177.684 176.600 0.060 0.000 1.028 48 K CA -0.192 56.133 56.287 0.065 0.000 1.047 48 K CB 0.088 32.656 32.500 0.113 0.000 0.821 48 K HN 0.321 nan 8.250 nan 0.000 0.513 49 I N 2.392 122.949 120.570 -0.022 0.000 2.312 49 I HA 0.076 4.249 4.170 0.005 0.000 0.291 49 I C -0.105 176.052 176.117 0.066 0.000 1.031 49 I CA -0.331 60.944 61.300 -0.042 0.000 1.293 49 I CB 0.706 38.563 38.000 -0.238 0.000 1.403 49 I HN -0.255 nan 8.210 nan 0.000 0.484 50 K N 5.945 126.431 120.400 0.144 0.000 2.253 50 K HA 0.554 4.877 4.320 0.005 0.000 0.277 50 K C -0.987 175.787 176.600 0.290 0.000 1.053 50 K CA -0.474 55.937 56.287 0.206 0.000 0.892 50 K CB 1.870 34.490 32.500 0.200 0.000 1.102 50 K HN 0.304 nan 8.250 nan 0.000 0.469 51 V N 4.468 124.510 119.914 0.213 0.000 2.604 51 V HA 0.347 4.471 4.120 0.005 0.000 0.305 51 V C -0.955 175.090 176.094 -0.081 0.000 1.043 51 V CA -1.038 61.334 62.300 0.121 0.000 0.888 51 V CB 1.742 33.602 31.823 0.062 0.000 0.995 51 V HN 0.547 nan 8.190 nan 0.000 0.429 52 L N 6.185 127.205 121.223 -0.338 0.000 2.313 52 L HA 0.736 5.079 4.340 0.005 0.000 0.283 52 L C -0.650 176.022 176.870 -0.331 0.000 1.013 52 L CA 0.034 54.494 54.840 -0.633 0.000 0.816 52 L CB 1.775 43.009 42.059 -1.374 0.000 1.236 52 L HN 0.431 nan 8.230 nan 0.000 0.419 53 V N 6.750 126.518 119.914 -0.243 0.000 2.398 53 V HA 0.462 4.585 4.120 0.005 0.000 0.286 53 V C 0.067 176.039 176.094 -0.203 0.000 1.026 53 V CA -0.376 61.824 62.300 -0.167 0.000 0.868 53 V CB 1.512 33.280 31.823 -0.092 0.000 0.982 53 V HN 0.615 nan 8.190 nan 0.000 0.443 54 I N 4.356 124.808 120.570 -0.196 0.000 2.330 54 I HA 0.498 4.671 4.170 0.005 0.000 0.289 54 I C -0.288 175.753 176.117 -0.127 0.000 1.001 54 I CA -0.335 60.840 61.300 -0.208 0.000 1.193 54 I CB 1.652 39.497 38.000 -0.259 0.000 1.345 54 I HN 0.617 nan 8.210 nan 0.000 0.461 55 E N 6.354 126.473 120.200 -0.135 0.000 2.222 55 E HA 0.256 4.609 4.350 0.005 0.000 0.267 55 E C 0.305 176.801 176.600 -0.174 0.000 0.884 55 E CA -0.693 55.632 56.400 -0.126 0.000 0.764 55 E CB 1.807 31.438 29.700 -0.115 0.000 1.169 55 E HN 0.446 nan 8.360 nan 0.000 0.413 56 K N 2.453 122.769 120.400 -0.142 0.000 2.097 56 K HA 0.022 4.345 4.320 0.005 0.000 0.206 56 K C 0.826 177.252 176.600 -0.291 0.000 1.049 56 K CA 1.446 57.644 56.287 -0.148 0.000 0.933 56 K CB -0.185 32.249 32.500 -0.110 0.000 0.717 56 K HN 0.571 nan 8.250 nan 0.000 0.442 57 G N -0.771 107.854 108.800 -0.293 0.000 2.641 57 G HA2 0.452 4.416 3.960 0.005 0.000 0.239 57 G HA3 0.452 4.416 3.960 0.005 0.000 0.239 57 G C -0.651 173.851 174.900 -0.662 0.000 1.402 57 G CA -0.739 44.147 45.100 -0.355 0.000 1.046 57 G HN 0.130 nan 8.290 nan 0.000 0.565 58 F N -2.939 117.024 119.950 0.022 0.000 2.782 58 F HA 0.445 4.974 4.527 0.003 0.000 0.366 58 F C -0.752 175.094 175.800 0.078 0.000 1.171 58 F CA -0.853 57.180 58.000 0.055 0.000 1.064 58 F CB 1.177 40.207 39.000 0.049 0.000 1.449 58 F HN 0.373 nan 8.300 nan 0.000 0.520 59 Y N 1.682 122.109 120.300 0.212 0.000 2.436 59 Y HA 0.220 4.774 4.550 0.006 0.000 0.336 59 Y C 0.645 176.595 175.900 0.083 0.000 1.049 59 Y CA 0.072 58.226 58.100 0.091 0.000 1.294 59 Y CB 0.514 38.994 38.460 0.033 0.000 1.179 59 Y HN 0.445 nan 8.280 nan 0.000 0.520 60 E N 2.005 121.966 120.200 -0.398 0.000 2.601 60 E HA 0.048 4.402 4.350 0.005 0.000 0.219 60 E C 1.332 177.708 176.600 -0.374 0.000 0.964 60 E CA 0.227 56.475 56.400 -0.253 0.000 1.050 60 E CB 0.716 30.345 29.700 -0.118 0.000 1.068 60 E HN 0.663 nan 8.360 nan 0.000 0.496 61 S N 2.391 117.624 115.700 -0.779 0.000 2.474 61 S HA -0.100 4.373 4.470 0.005 0.000 0.235 61 S C 1.306 175.783 174.600 -0.205 0.000 0.997 61 S CA 0.893 58.813 58.200 -0.467 0.000 0.949 61 S CB -0.157 62.736 63.200 -0.511 0.000 0.766 61 S HN 0.323 nan 8.310 nan 0.000 0.517 62 N N 0.499 119.109 118.700 -0.150 0.000 2.320 62 N HA 0.089 4.833 4.740 0.005 0.000 0.237 62 N C -0.501 175.016 175.510 0.012 0.000 1.129 62 N CA -0.083 52.985 53.050 0.031 0.000 0.854 62 N CB -0.075 38.510 38.487 0.164 0.000 1.083 62 N HN 0.000 nan 8.380 nan 0.000 0.504 63 D N 0.378 120.760 120.400 -0.030 0.000 2.349 63 D HA 0.174 4.818 4.640 0.005 0.000 0.224 63 D C 1.194 177.496 176.300 0.003 0.000 1.029 63 D CA 0.980 54.969 54.000 -0.018 0.000 0.879 63 D CB 0.127 40.901 40.800 -0.042 0.000 0.906 63 D HN 0.540 nan 8.370 nan 0.000 0.528 64 G N 0.526 109.347 108.800 0.035 0.000 2.587 64 G HA2 -0.161 3.802 3.960 0.005 0.000 0.212 64 G HA3 -0.161 3.802 3.960 0.005 0.000 0.212 64 G C 1.070 175.989 174.900 0.031 0.000 1.327 64 G CA 0.179 45.333 45.100 0.089 0.000 0.898 64 G HN 0.284 nan 8.290 nan 0.000 0.551 65 A N -0.569 122.252 122.820 0.001 0.000 1.948 65 A HA -0.024 4.299 4.320 0.005 0.000 0.220 65 A C 2.567 179.996 177.584 -0.259 0.000 1.177 65 A CA 2.678 54.524 52.037 -0.318 0.000 0.636 65 A CB -0.462 18.411 19.000 -0.212 0.000 0.815 65 A HN 1.570 nan 8.150 nan 0.000 0.449 66 I N -0.948 119.539 120.570 -0.138 0.000 2.335 66 I HA -0.232 3.942 4.170 0.005 0.000 0.251 66 I C 1.762 177.807 176.117 -0.120 0.000 1.129 66 I CA 1.298 62.521 61.300 -0.128 0.000 1.402 66 I CB 0.032 37.975 38.000 -0.095 0.000 1.069 66 I HN 0.277 nan 8.210 nan 0.000 0.424 67 I N -0.023 120.485 120.570 -0.104 0.000 2.899 67 I HA -0.064 4.109 4.170 0.005 0.000 0.257 67 I C 2.259 178.323 176.117 -0.087 0.000 1.115 67 I CA 0.965 62.218 61.300 -0.078 0.000 1.451 67 I CB -1.224 36.734 38.000 -0.070 0.000 1.251 67 I HN 0.173 nan 8.210 nan 0.000 0.456 68 E N 0.541 120.677 120.200 -0.106 0.000 2.150 68 E HA -0.176 4.177 4.350 0.005 0.000 0.193 68 E C 0.349 176.834 176.600 -0.192 0.000 0.985 68 E CA 0.688 57.045 56.400 -0.072 0.000 0.814 68 E CB 0.057 29.812 29.700 0.091 0.000 0.752 68 E HN 0.247 nan 8.360 nan 0.000 0.466 69 D N 0.251 120.369 120.400 -0.471 0.000 2.313 69 D HA 0.033 4.676 4.640 0.005 0.000 0.239 69 D C -1.615 174.558 176.300 -0.212 0.000 1.142 69 D CA -2.600 51.094 54.000 -0.510 0.000 0.847 69 D CB 1.274 41.511 40.800 -0.939 0.000 1.082 69 D HN -0.173 nan 8.370 nan 0.000 0.480 70 P HA -0.136 nan 4.420 nan 0.000 0.219 70 P C 0.568 177.868 177.300 0.001 0.000 1.146 70 P CA 0.795 63.885 63.100 -0.018 0.000 0.808 70 P CB 0.395 32.100 31.700 0.009 0.000 0.779 71 N N 0.222 118.900 118.700 -0.037 0.000 2.512 71 N HA -0.016 4.727 4.740 0.005 0.000 0.183 71 N C 1.462 176.954 175.510 -0.029 0.000 1.073 71 N CA 0.774 53.814 53.050 -0.016 0.000 0.911 71 N CB -0.177 38.290 38.487 -0.034 0.000 0.964 71 N HN 0.172 nan 8.380 nan 0.000 0.447 72 A N 0.316 123.090 122.820 -0.076 0.000 2.307 72 A HA -0.013 4.311 4.320 0.005 0.000 0.218 72 A C 0.241 177.763 177.584 -0.103 0.000 1.228 72 A CA -0.513 51.460 52.037 -0.106 0.000 0.857 72 A CB -0.554 18.349 19.000 -0.162 0.000 0.897 72 A HN 0.280 nan 8.150 nan 0.000 0.495 73 Y N 0.894 121.096 120.300 -0.164 0.000 2.944 73 Y HA 0.182 4.738 4.550 0.010 0.000 0.340 73 Y C 1.421 177.106 175.900 -0.357 0.000 1.275 73 Y CA 1.359 59.337 58.100 -0.204 0.000 1.590 73 Y CB -0.062 38.337 38.460 -0.102 0.000 1.218 73 Y HN 0.604 nan 8.280 nan 0.000 0.576 74 G N 3.803 111.795 108.800 -1.346 0.000 2.241 74 G HA2 -0.333 3.631 3.960 0.005 0.000 0.244 74 G HA3 -0.333 3.631 3.960 0.005 0.000 0.244 74 G C 1.039 175.293 174.900 -1.077 0.000 0.998 74 G CA 0.530 44.503 45.100 -1.877 0.000 0.621 74 G HN 0.625 nan 8.290 nan 0.000 0.519 75 Q N -0.552 118.898 119.800 -0.583 0.000 2.167 75 Q HA 0.167 4.510 4.340 0.005 0.000 0.202 75 Q C 2.464 178.304 176.000 -0.267 0.000 0.970 75 Q CA 1.307 56.913 55.803 -0.329 0.000 0.855 75 Q CB -0.041 28.569 28.738 -0.214 0.000 0.911 75 Q HN 0.592 nan 8.270 nan 0.000 0.438 76 I N 0.321 120.711 120.570 -0.300 0.000 2.756 76 I HA -0.129 4.044 4.170 0.005 0.000 0.262 76 I C -0.098 176.019 176.117 -0.001 0.000 1.225 76 I CA 0.332 61.553 61.300 -0.133 0.000 1.472 76 I CB -0.013 37.933 38.000 -0.091 0.000 1.094 76 I HN -0.078 nan 8.210 nan 0.000 0.454 77 F N 1.508 121.337 119.950 -0.202 0.000 2.572 77 F HA 0.385 4.913 4.527 0.002 0.000 0.370 77 F C 1.786 177.488 175.800 -0.164 0.000 1.103 77 F CA -0.076 57.790 58.000 -0.223 0.000 1.286 77 F CB -0.622 38.221 39.000 -0.261 0.000 1.105 77 F HN 0.215 nan 8.300 nan 0.000 0.583 78 G N 1.330 110.143 108.800 0.022 0.000 2.217 78 G HA2 -0.276 3.687 3.960 0.005 0.000 0.246 78 G HA3 -0.276 3.687 3.960 0.005 0.000 0.246 78 G C 0.431 175.314 174.900 -0.028 0.000 0.990 78 G CA 0.251 45.339 45.100 -0.020 0.000 0.627 78 G HN 0.951 nan 8.290 nan 0.000 0.522 79 T N -1.878 112.662 114.554 -0.024 0.000 2.771 79 T HA 0.510 4.863 4.350 0.005 0.000 0.290 79 T C 1.897 176.577 174.700 -0.034 0.000 1.005 79 T CA 1.273 63.356 62.100 -0.028 0.000 0.944 79 T CB 0.814 69.665 68.868 -0.028 0.000 1.147 79 T HN 0.977 nan 8.240 nan 0.000 0.534 80 T N -1.865 112.677 114.554 -0.020 0.000 3.072 80 T HA -0.014 4.339 4.350 0.005 0.000 0.266 80 T C 1.639 176.330 174.700 -0.015 0.000 1.127 80 T CA 0.541 62.636 62.100 -0.009 0.000 1.107 80 T CB -0.613 68.271 68.868 0.026 0.000 0.910 80 T HN 0.375 nan 8.240 nan 0.000 0.513 81 V N 1.305 121.204 119.914 -0.024 0.000 3.541 81 V HA 0.147 4.271 4.120 0.005 0.000 0.267 81 V C 0.663 176.710 176.094 -0.079 0.000 1.213 81 V CA 0.408 62.689 62.300 -0.033 0.000 1.149 81 V CB -0.363 31.448 31.823 -0.020 0.000 0.822 81 V HN 0.492 nan 8.190 nan 0.000 0.462 82 D N -0.255 120.081 120.400 -0.106 0.000 2.329 82 D HA 0.181 4.824 4.640 0.005 0.000 0.232 82 D C 1.280 177.409 176.300 -0.285 0.000 1.088 82 D CA -0.292 53.592 54.000 -0.194 0.000 0.835 82 D CB 1.347 42.051 40.800 -0.161 0.000 1.078 82 D HN -0.036 nan 8.370 nan 0.000 0.495 83 Q N 2.607 122.147 119.800 -0.433 0.000 2.096 83 Q HA -0.203 4.140 4.340 0.005 0.000 0.204 83 Q C 0.488 176.114 176.000 -0.623 0.000 0.982 83 Q CA 1.072 56.472 55.803 -0.671 0.000 0.850 83 Q CB -0.477 27.456 28.738 -1.341 0.000 0.901 83 Q HN 0.717 nan 8.270 nan 0.000 0.422 84 N N -0.587 117.776 118.700 -0.562 0.000 2.727 84 N HA -0.194 4.549 4.740 0.005 0.000 0.251 84 N C -1.575 173.829 175.510 -0.177 0.000 1.040 84 N CA 0.230 53.074 53.050 -0.343 0.000 0.712 84 N CB -1.334 37.019 38.487 -0.224 0.000 0.912 84 N HN 0.122 nan 8.380 nan 0.000 0.545 85 Y N 0.084 120.364 120.300 -0.033 0.000 2.480 85 Y HA 0.269 4.821 4.550 0.004 0.000 0.338 85 Y C 1.409 177.378 175.900 0.115 0.000 1.220 85 Y CA -0.160 58.009 58.100 0.114 0.000 1.430 85 Y CB 0.547 39.094 38.460 0.145 0.000 1.311 85 Y HN 0.156 nan 8.280 nan 0.000 0.575 86 L N 2.946 124.370 121.223 0.335 0.000 2.309 86 L HA 0.387 4.731 4.340 0.005 0.000 0.282 86 L C 0.517 177.532 176.870 0.241 0.000 1.036 86 L CA -0.763 54.194 54.840 0.196 0.000 0.806 86 L CB 1.541 43.652 42.059 0.086 0.000 1.220 86 L HN 0.800 nan 8.230 nan 0.000 0.429 87 T N -0.191 114.479 114.554 0.193 0.000 2.810 87 T HA 0.447 4.801 4.350 0.005 0.000 0.277 87 T C 0.392 175.164 174.700 0.120 0.000 0.973 87 T CA -0.804 61.402 62.100 0.176 0.000 0.949 87 T CB 1.365 70.327 68.868 0.158 0.000 1.075 87 T HN 0.359 nan 8.240 nan 0.000 0.537 88 V N -2.271 117.704 119.914 0.102 0.000 3.319 88 V HA 0.457 4.580 4.120 0.005 0.000 0.303 88 V C -2.687 173.457 176.094 0.083 0.000 1.094 88 V CA -2.360 59.985 62.300 0.076 0.000 1.106 88 V CB -0.777 31.087 31.823 0.068 0.000 1.099 88 V HN 0.745 nan 8.190 nan 0.000 0.476 89 P HA 0.230 nan 4.420 nan 0.000 0.262 89 P C -0.153 177.213 177.300 0.109 0.000 1.199 89 P CA 0.263 63.412 63.100 0.082 0.000 0.763 89 P CB 0.225 31.965 31.700 0.066 0.000 0.790 90 L N 3.751 125.064 121.223 0.150 0.000 2.682 90 L HA 0.300 4.643 4.340 0.005 0.000 0.209 90 L C 2.211 179.217 176.870 0.226 0.000 1.195 90 L CA -0.579 54.394 54.840 0.223 0.000 0.869 90 L CB -0.112 42.174 42.059 0.379 0.000 1.599 90 L HN 0.296 nan 8.230 nan 0.000 0.518 91 I N 0.965 121.712 120.570 0.295 0.000 2.423 91 I HA -0.291 3.883 4.170 0.005 0.000 0.254 91 I C 1.641 177.904 176.117 0.244 0.000 1.151 91 I CA 1.435 62.888 61.300 0.255 0.000 1.421 91 I CB -0.102 38.069 38.000 0.284 0.000 1.079 91 I HN 0.788 nan 8.210 nan 0.000 0.431 92 N N 0.127 119.004 118.700 0.295 0.000 2.314 92 N HA -0.076 4.668 4.740 0.005 0.000 0.200 92 N C 0.265 175.849 175.510 0.124 0.000 1.135 92 N CA 0.197 53.370 53.050 0.205 0.000 0.835 92 N CB -0.559 38.061 38.487 0.222 0.000 0.989 92 N HN 0.239 nan 8.380 nan 0.000 0.478 93 N N -0.382 118.391 118.700 0.121 0.000 2.782 93 N HA -0.195 4.549 4.740 0.005 0.000 0.251 93 N C -0.945 174.604 175.510 0.064 0.000 1.101 93 N CA 0.609 53.710 53.050 0.085 0.000 0.764 93 N CB -1.099 37.428 38.487 0.067 0.000 1.122 93 N HN 0.579 nan 8.380 nan 0.000 0.561 94 R N 0.171 120.709 120.500 0.064 0.000 2.637 94 R HA 0.445 4.788 4.340 0.005 0.000 0.291 94 R C 0.527 176.856 176.300 0.048 0.000 0.963 94 R CA -0.417 55.704 56.100 0.036 0.000 0.901 94 R CB 1.332 31.631 30.300 -0.002 0.000 1.160 94 R HN 0.181 nan 8.270 nan 0.000 0.457 95 T N -0.466 114.114 114.554 0.042 0.000 2.788 95 T HA 0.267 4.620 4.350 0.005 0.000 0.287 95 T C 0.200 174.929 174.700 0.049 0.000 1.007 95 T CA -0.627 61.508 62.100 0.059 0.000 1.005 95 T CB 0.928 69.827 68.868 0.053 0.000 1.012 95 T HN 0.365 nan 8.240 nan 0.000 0.530 96 N N 0.087 118.837 118.700 0.083 0.000 2.455 96 N HA 0.377 5.121 4.740 0.005 0.000 0.278 96 N C -1.616 173.970 175.510 0.128 0.000 1.291 96 N CA -0.720 52.377 53.050 0.079 0.000 0.780 96 N CB 2.155 40.681 38.487 0.065 0.000 1.520 96 N HN 0.712 nan 8.380 nan 0.000 0.486 97 N N 0.114 118.892 118.700 0.130 0.000 2.473 97 N HA 0.480 5.223 4.740 0.005 0.000 0.291 97 N C -0.665 174.948 175.510 0.171 0.000 1.083 97 N CA -0.282 52.824 53.050 0.094 0.000 0.951 97 N CB 1.720 40.200 38.487 -0.013 0.000 1.164 97 N HN 0.373 nan 8.380 nan 0.000 0.480 98 I N 2.027 122.649 120.570 0.086 0.000 2.312 98 I HA 0.206 4.379 4.170 0.005 0.000 0.290 98 I C -0.022 175.807 176.117 -0.480 0.000 1.008 98 I CA -0.888 60.436 61.300 0.040 0.000 1.226 98 I CB 0.745 38.898 38.000 0.256 0.000 1.371 98 I HN 0.187 nan 8.210 nan 0.000 0.468 99 K N 5.490 125.104 120.400 -1.311 0.000 2.298 99 K HA 0.732 5.056 4.320 0.005 0.000 0.280 99 K C -0.410 175.762 176.600 -0.713 0.000 1.032 99 K CA -0.249 55.275 56.287 -1.271 0.000 0.958 99 K CB 1.590 32.805 32.500 -2.141 0.000 0.978 99 K HN 0.732 nan 8.250 nan 0.000 0.472 100 A N 1.323 123.833 122.820 -0.517 0.000 2.594 100 A HA 0.585 4.909 4.320 0.005 0.000 0.296 100 A C -0.297 177.128 177.584 -0.263 0.000 1.061 100 A CA -0.542 51.319 52.037 -0.295 0.000 0.689 100 A CB 1.490 20.381 19.000 -0.182 0.000 1.280 100 A HN 0.604 nan 8.150 nan 0.000 0.406 101 G N 0.481 109.197 108.800 -0.141 0.000 2.444 101 G HA2 0.508 4.471 3.960 0.005 0.000 0.268 101 G HA3 0.508 4.471 3.960 0.005 0.000 0.268 101 G C -0.284 174.548 174.900 -0.113 0.000 1.203 101 G CA -0.296 44.743 45.100 -0.101 0.000 0.835 101 G HN 0.745 nan 8.290 nan 0.000 0.543 102 K N 1.420 121.758 120.400 -0.103 0.000 2.572 102 K HA 0.589 4.912 4.320 0.005 0.000 0.244 102 K C -0.193 176.380 176.600 -0.046 0.000 0.965 102 K CA -0.233 55.998 56.287 -0.093 0.000 0.943 102 K CB 0.792 33.224 32.500 -0.113 0.000 1.154 102 K HN 1.084 nan 8.250 nan 0.000 0.447 103 G N 2.538 111.310 108.800 -0.047 0.000 2.353 103 G HA2 0.047 4.010 3.960 0.005 0.000 0.308 103 G HA3 0.047 4.010 3.960 0.005 0.000 0.308 103 G C -1.395 173.498 174.900 -0.012 0.000 1.418 103 G CA -1.158 43.930 45.100 -0.019 0.000 0.966 103 G HN 0.466 nan 8.290 nan 0.000 0.638 104 L N 1.324 122.558 121.223 0.018 0.000 2.584 104 L HA 0.356 4.699 4.340 0.005 0.000 0.272 104 L C 1.720 178.621 176.870 0.051 0.000 1.195 104 L CA 1.813 56.688 54.840 0.059 0.000 0.920 104 L CB 0.390 42.542 42.059 0.155 0.000 1.173 104 L HN 2.088 nan 8.230 nan 0.000 0.489 105 G N 1.534 110.381 108.800 0.078 0.000 2.218 105 G HA2 -0.105 3.858 3.960 0.005 0.000 0.216 105 G HA3 -0.105 3.858 3.960 0.005 0.000 0.216 105 G C 0.720 175.665 174.900 0.074 0.000 0.994 105 G CA -0.160 45.004 45.100 0.107 0.000 0.637 105 G HN 1.303 nan 8.290 nan 0.000 0.505 106 G N 0.132 108.951 108.800 0.031 0.000 2.614 106 G HA2 -0.194 3.769 3.960 0.005 0.000 0.303 106 G HA3 -0.194 3.769 3.960 0.005 0.000 0.303 106 G C 1.278 176.189 174.900 0.017 0.000 1.270 106 G CA 1.339 46.444 45.100 0.009 0.000 0.988 106 G HN 1.453 nan 8.290 nan 0.000 0.551 107 S N 0.901 116.614 115.700 0.021 0.000 2.507 107 S HA -0.006 4.467 4.470 0.005 0.000 0.235 107 S C 2.504 177.153 174.600 0.082 0.000 0.988 107 S CA 2.146 60.362 58.200 0.027 0.000 0.944 107 S CB -0.461 62.742 63.200 0.005 0.000 0.762 107 S HN 1.397 nan 8.310 nan 0.000 0.526 108 T N 0.014 114.632 114.554 0.106 0.000 3.035 108 T HA 0.136 4.490 4.350 0.005 0.000 0.268 108 T C 1.542 176.319 174.700 0.128 0.000 1.109 108 T CA 0.480 62.674 62.100 0.158 0.000 1.119 108 T CB -0.389 68.614 68.868 0.226 0.000 0.900 108 T HN 0.305 nan 8.240 nan 0.000 0.503 109 L N 0.518 121.791 121.223 0.083 0.000 2.156 109 L HA 0.262 4.606 4.340 0.005 0.000 0.208 109 L C 2.320 179.230 176.870 0.068 0.000 1.095 109 L CA 1.170 56.039 54.840 0.049 0.000 0.770 109 L CB -0.258 41.806 42.059 0.008 0.000 0.914 109 L HN 0.486 nan 8.230 nan 0.000 0.439 110 I N -3.520 117.117 120.570 0.111 0.000 4.240 110 I HA 0.194 4.367 4.170 0.005 0.000 0.331 110 I C 0.538 176.863 176.117 0.347 0.000 1.381 110 I CA -0.664 60.745 61.300 0.182 0.000 1.136 110 I CB -0.011 38.096 38.000 0.179 0.000 1.137 110 I HN 0.098 nan 8.210 nan 0.000 0.411 111 N N 1.616 120.480 118.700 0.273 0.000 2.405 111 N HA 0.243 4.986 4.740 0.005 0.000 0.269 111 N C 1.177 176.741 175.510 0.090 0.000 1.249 111 N CA 0.072 53.296 53.050 0.290 0.000 0.974 111 N CB 0.253 38.864 38.487 0.207 0.000 1.204 111 N HN 0.026 nan 8.380 nan 0.000 0.565 112 G N -1.998 106.678 108.800 -0.206 0.000 2.920 112 G HA2 -0.035 3.929 3.960 0.005 0.000 0.208 112 G HA3 -0.035 3.929 3.960 0.005 0.000 0.208 112 G C -0.130 174.649 174.900 -0.201 0.000 1.159 112 G CA 0.140 44.858 45.100 -0.637 0.000 0.784 112 G HN 0.744 nan 8.290 nan 0.000 0.535 113 D N -0.637 119.766 120.400 0.005 0.000 3.079 113 D HA -0.152 4.492 4.640 0.005 0.000 0.214 113 D C 0.338 176.751 176.300 0.189 0.000 1.145 113 D CA 1.123 55.195 54.000 0.120 0.000 0.958 113 D CB -1.449 39.397 40.800 0.076 0.000 1.117 113 D HN 0.368 nan 8.370 nan 0.000 0.416 114 S N 0.111 115.873 115.700 0.104 0.000 2.516 114 S HA 0.139 4.612 4.470 0.005 0.000 0.282 114 S C 0.056 174.833 174.600 0.294 0.000 1.286 114 S CA -0.196 58.040 58.200 0.060 0.000 1.066 114 S CB 0.951 63.824 63.200 -0.544 0.000 0.884 114 S HN 0.266 nan 8.310 nan 0.000 0.491 115 W N 5.392 126.790 121.300 0.163 0.000 2.413 115 W HA 0.346 5.009 4.660 0.004 0.000 0.308 115 W C -0.457 176.247 176.519 0.309 0.000 0.997 115 W CA -0.606 56.884 57.345 0.242 0.000 1.447 115 W CB 0.974 30.569 29.460 0.225 0.000 1.263 115 W HN 0.783 nan 8.180 nan 0.000 0.416 116 T N 2.244 116.926 114.554 0.214 0.000 2.865 116 T HA 0.693 5.046 4.350 0.005 0.000 0.294 116 T C -0.804 173.941 174.700 0.074 0.000 1.119 116 T CA -0.862 61.408 62.100 0.284 0.000 1.007 116 T CB 2.966 72.165 68.868 0.552 0.000 1.225 116 T HN 0.462 nan 8.240 nan 0.000 0.515 117 R N 0.682 121.240 120.500 0.097 0.000 2.854 117 R HA 0.636 4.979 4.340 0.005 0.000 0.271 117 R C -2.760 173.544 176.300 0.007 0.000 0.994 117 R CA -2.305 53.841 56.100 0.077 0.000 0.945 117 R CB 2.021 32.464 30.300 0.238 0.000 1.194 117 R HN 0.445 nan 8.270 nan 0.000 0.476 118 P HA -0.082 nan 4.420 nan 0.000 0.274 118 P C -0.859 176.253 177.300 -0.313 0.000 1.264 118 P CA -0.194 62.826 63.100 -0.134 0.000 0.795 118 P CB 0.443 32.113 31.700 -0.050 0.000 1.064 119 D N 0.134 120.250 120.400 -0.473 0.000 2.302 119 D HA -0.008 4.636 4.640 0.005 0.000 0.248 119 D C 1.137 176.968 176.300 -0.783 0.000 1.094 119 D CA -0.177 53.453 54.000 -0.616 0.000 0.897 119 D CB 0.758 41.245 40.800 -0.522 0.000 1.200 119 D HN 0.282 nan 8.370 nan 0.000 0.429 120 K N 2.676 122.369 120.400 -1.178 0.000 2.074 120 K HA -0.202 4.122 4.320 0.005 0.000 0.209 120 K C 1.809 178.102 176.600 -0.512 0.000 1.048 120 K CA 2.023 57.581 56.287 -1.215 0.000 0.926 120 K CB -0.186 31.520 32.500 -1.323 0.000 0.713 120 K HN 0.412 nan 8.250 nan 0.000 0.444 121 V N -0.896 118.718 119.914 -0.499 0.000 2.515 121 V HA -0.208 3.915 4.120 0.005 0.000 0.250 121 V C 1.973 177.837 176.094 -0.384 0.000 1.058 121 V CA 1.508 63.599 62.300 -0.348 0.000 1.064 121 V CB -0.655 30.976 31.823 -0.319 0.000 0.675 121 V HN 0.358 nan 8.190 nan 0.000 0.461 122 Q N -0.005 119.374 119.800 -0.702 0.000 2.079 122 Q HA -0.040 4.304 4.340 0.005 0.000 0.200 122 Q C 2.352 178.199 176.000 -0.254 0.000 0.974 122 Q CA 1.799 57.181 55.803 -0.703 0.000 0.840 122 Q CB -0.197 27.980 28.738 -0.934 0.000 0.898 122 Q HN 0.575 nan 8.270 nan 0.000 0.430 123 I N 1.163 121.515 120.570 -0.364 0.000 2.353 123 I HA -0.177 3.996 4.170 0.005 0.000 0.248 123 I C 1.541 177.566 176.117 -0.154 0.000 1.119 123 I CA 1.113 62.072 61.300 -0.569 0.000 1.417 123 I CB -1.021 36.831 38.000 -0.246 0.000 1.078 123 I HN 0.145 nan 8.210 nan 0.000 0.421 124 D N 1.033 121.453 120.400 0.033 0.000 2.149 124 D HA -0.149 4.495 4.640 0.005 0.000 0.198 124 D C 2.384 178.846 176.300 0.271 0.000 0.990 124 D CA 1.709 55.803 54.000 0.156 0.000 0.839 124 D CB -0.026 40.837 40.800 0.105 0.000 0.948 124 D HN 0.366 nan 8.370 nan 0.000 0.460 125 S N -0.448 115.470 115.700 0.363 0.000 2.442 125 S HA -0.169 4.305 4.470 0.005 0.000 0.236 125 S C 1.859 176.920 174.600 0.768 0.000 1.007 125 S CA 0.498 59.028 58.200 0.549 0.000 0.965 125 S CB -0.623 63.060 63.200 0.806 0.000 0.773 125 S HN 0.253 nan 8.310 nan 0.000 0.504 126 W N 2.163 123.763 121.300 0.500 0.000 2.363 126 W HA 0.119 4.782 4.660 0.005 0.000 0.296 126 W C 2.607 179.367 176.519 0.402 0.000 1.212 126 W CA 0.591 58.222 57.345 0.477 0.000 1.260 126 W CB -0.985 28.676 29.460 0.334 0.000 1.131 126 W HN 0.599 nan 8.180 nan 0.000 0.530 127 E N 0.085 120.634 120.200 0.582 0.000 2.075 127 E HA -0.134 4.219 4.350 0.005 0.000 0.190 127 E C 2.012 178.784 176.600 0.287 0.000 0.969 127 E CA 0.856 57.505 56.400 0.414 0.000 0.815 127 E CB 0.128 30.037 29.700 0.349 0.000 0.776 127 E HN -0.198 nan 8.360 nan 0.000 0.457 128 K N 0.209 120.761 120.400 0.254 0.000 2.148 128 K HA -0.017 4.306 4.320 0.005 0.000 0.204 128 K C 1.932 178.581 176.600 0.081 0.000 1.050 128 K CA 0.733 57.114 56.287 0.156 0.000 0.942 128 K CB -0.182 32.405 32.500 0.145 0.000 0.724 128 K HN 0.110 nan 8.250 nan 0.000 0.446 129 V N -0.890 119.054 119.914 0.049 0.000 2.743 129 V HA 0.034 4.157 4.120 0.005 0.000 0.237 129 V C 1.470 177.352 176.094 -0.354 0.000 1.113 129 V CA 0.624 62.787 62.300 -0.228 0.000 1.141 129 V CB -0.282 31.278 31.823 -0.438 0.000 0.873 129 V HN -0.015 nan 8.190 nan 0.000 0.486 130 F N 1.429 121.465 119.950 0.144 0.000 2.780 130 F HA 0.390 4.921 4.527 0.006 0.000 0.299 130 F C 1.948 177.808 175.800 0.100 0.000 1.146 130 F CA 0.850 58.903 58.000 0.088 0.000 1.428 130 F CB -0.527 38.497 39.000 0.041 0.000 1.115 130 F HN 0.308 nan 8.300 nan 0.000 0.583 131 G N 0.088 109.025 108.800 0.228 0.000 2.153 131 G HA2 -0.293 3.670 3.960 0.005 0.000 0.252 131 G HA3 -0.293 3.670 3.960 0.005 0.000 0.252 131 G C 0.320 175.364 174.900 0.241 0.000 0.994 131 G CA -0.184 45.034 45.100 0.196 0.000 0.698 131 G HN 0.095 nan 8.290 nan 0.000 0.521 132 M N 1.317 121.102 119.600 0.309 0.000 2.319 132 M HA 0.272 4.755 4.480 0.005 0.000 0.343 132 M C 0.638 177.240 176.300 0.502 0.000 1.364 132 M CA -0.511 54.999 55.300 0.351 0.000 1.292 132 M CB 0.331 33.051 32.600 0.199 0.000 1.432 132 M HN 0.374 nan 8.290 nan 0.000 0.448 133 E N 1.316 121.744 120.200 0.380 0.000 2.480 133 E HA 0.170 4.524 4.350 0.005 0.000 0.258 133 E C 1.143 177.911 176.600 0.281 0.000 0.984 133 E CA 1.087 57.663 56.400 0.292 0.000 0.930 133 E CB 0.425 30.247 29.700 0.204 0.000 0.936 133 E HN 0.954 nan 8.360 nan 0.000 0.466 134 G N 4.086 112.996 108.800 0.184 0.000 2.199 134 G HA2 -0.267 3.696 3.960 0.005 0.000 0.254 134 G HA3 -0.267 3.696 3.960 0.005 0.000 0.254 134 G C -0.333 174.532 174.900 -0.058 0.000 0.982 134 G CA 0.148 45.263 45.100 0.026 0.000 0.632 134 G HN 0.608 nan 8.290 nan 0.000 0.529 135 W N 2.713 124.139 121.300 0.210 0.000 1.978 135 W HA 0.612 5.276 4.660 0.006 0.000 0.373 135 W C 0.466 177.120 176.519 0.224 0.000 0.813 135 W CA -0.270 57.235 57.345 0.265 0.000 1.571 135 W CB -0.047 29.680 29.460 0.445 0.000 1.746 135 W HN 0.522 nan 8.180 nan 0.000 0.302 136 N N -0.829 118.017 118.700 0.243 0.000 2.509 136 N HA 0.261 5.005 4.740 0.005 0.000 0.280 136 N C 0.560 176.154 175.510 0.140 0.000 1.306 136 N CA -1.034 52.136 53.050 0.199 0.000 0.782 136 N CB 0.607 39.198 38.487 0.174 0.000 1.493 136 N HN 0.227 nan 8.380 nan 0.000 0.498 137 W N 0.978 122.261 121.300 -0.028 0.000 2.333 137 W HA -0.217 4.446 4.660 0.005 0.000 0.316 137 W C 0.065 176.595 176.519 0.019 0.000 1.215 137 W CA 2.117 59.426 57.345 -0.061 0.000 1.278 137 W CB -0.235 29.141 29.460 -0.140 0.000 1.154 137 W HN 0.529 nan 8.180 nan 0.000 0.486 138 D N 0.384 120.788 120.400 0.007 0.000 2.116 138 D HA -0.236 4.408 4.640 0.005 0.000 0.193 138 D C 1.663 177.909 176.300 -0.090 0.000 0.998 138 D CA 1.727 55.698 54.000 -0.048 0.000 0.836 138 D CB -0.874 39.959 40.800 0.056 0.000 0.951 138 D HN 0.174 nan 8.370 nan 0.000 0.449 139 N N -0.037 118.630 118.700 -0.055 0.000 2.106 139 N HA -0.083 4.661 4.740 0.005 0.000 0.188 139 N C 1.770 177.266 175.510 -0.024 0.000 1.029 139 N CA 0.794 53.814 53.050 -0.050 0.000 0.848 139 N CB -0.219 38.258 38.487 -0.017 0.000 1.007 139 N HN 0.165 nan 8.380 nan 0.000 0.423 140 M N -0.345 119.212 119.600 -0.072 0.000 2.254 140 M HA -0.011 4.473 4.480 0.005 0.000 0.265 140 M C 1.792 177.971 176.300 -0.202 0.000 1.066 140 M CA 0.587 55.850 55.300 -0.061 0.000 1.123 140 M CB -1.237 31.320 32.600 -0.071 0.000 1.388 140 M HN 0.025 nan 8.290 nan 0.000 0.425 141 F N 2.283 121.793 119.950 -0.733 0.000 2.095 141 F HA -0.206 4.324 4.527 0.005 0.000 0.298 141 F C 2.244 177.823 175.800 -0.369 0.000 1.104 141 F CA 1.649 59.161 58.000 -0.812 0.000 1.232 141 F CB -0.267 38.104 39.000 -1.048 0.000 0.987 141 F HN 0.159 nan 8.300 nan 0.000 0.475 142 E N -0.714 119.320 120.200 -0.275 0.000 2.072 142 E HA -0.229 4.124 4.350 0.005 0.000 0.191 142 E C 2.292 178.743 176.600 -0.249 0.000 0.985 142 E CA 1.427 57.636 56.400 -0.319 0.000 0.801 142 E CB -0.982 28.540 29.700 -0.298 0.000 0.750 142 E HN 0.473 nan 8.360 nan 0.000 0.452 143 Y N 0.597 120.805 120.300 -0.153 0.000 2.181 143 Y HA -0.097 4.456 4.550 0.006 0.000 0.288 143 Y C 2.497 178.375 175.900 -0.036 0.000 1.146 143 Y CA 1.186 59.238 58.100 -0.079 0.000 1.164 143 Y CB -0.318 38.097 38.460 -0.075 0.000 0.982 143 Y HN 0.007 nan 8.280 nan 0.000 0.515 144 M N -0.573 119.075 119.600 0.080 0.000 2.175 144 M HA -0.241 4.242 4.480 0.005 0.000 0.264 144 M C 2.044 178.360 176.300 0.028 0.000 1.063 144 M CA 1.630 56.966 55.300 0.060 0.000 1.119 144 M CB -0.277 32.307 32.600 -0.027 0.000 1.377 144 M HN 0.119 nan 8.290 nan 0.000 0.415 145 K N 0.322 120.641 120.400 -0.135 0.000 2.097 145 K HA -0.113 4.211 4.320 0.005 0.000 0.205 145 K C 1.876 178.464 176.600 -0.021 0.000 1.050 145 K CA 1.047 57.252 56.287 -0.137 0.000 0.938 145 K CB -0.108 32.192 32.500 -0.334 0.000 0.718 145 K HN 0.342 nan 8.250 nan 0.000 0.442 146 K N 0.351 120.744 120.400 -0.010 0.000 2.209 146 K HA -0.084 4.239 4.320 0.005 0.000 0.204 146 K C 1.929 178.605 176.600 0.128 0.000 1.048 146 K CA 1.015 57.326 56.287 0.041 0.000 0.940 146 K CB 0.001 32.524 32.500 0.040 0.000 0.729 146 K HN 0.105 nan 8.250 nan 0.000 0.451 147 A N 1.857 124.794 122.820 0.196 0.000 2.119 147 A HA -0.086 4.238 4.320 0.005 0.000 0.216 147 A C 0.720 178.398 177.584 0.156 0.000 1.152 147 A CA 0.448 52.642 52.037 0.261 0.000 0.708 147 A CB -0.160 19.053 19.000 0.354 0.000 0.805 147 A HN 0.456 nan 8.150 nan 0.000 0.460 148 E N -1.511 118.788 120.200 0.165 0.000 2.299 148 E HA 0.717 5.071 4.350 0.005 0.000 0.265 148 E C -0.864 175.768 176.600 0.053 0.000 0.911 148 E CA -0.853 55.626 56.400 0.132 0.000 0.789 148 E CB 1.806 31.726 29.700 0.368 0.000 1.246 148 E HN 0.118 nan 8.360 nan 0.000 0.427 149 A N 1.463 124.276 122.820 -0.011 0.000 2.545 149 A HA 0.647 4.970 4.320 0.005 0.000 0.300 149 A C -0.496 177.088 177.584 -0.001 0.000 1.252 149 A CA -0.394 51.636 52.037 -0.012 0.000 0.753 149 A CB 0.653 19.615 19.000 -0.064 0.000 1.144 149 A HN 0.715 nan 8.150 nan 0.000 0.457 150 A N 2.552 125.430 122.820 0.096 0.000 2.316 150 A HA 0.750 5.073 4.320 0.005 0.000 0.284 150 A C 0.358 177.975 177.584 0.055 0.000 1.115 150 A CA -0.473 51.650 52.037 0.143 0.000 0.812 150 A CB 0.507 19.745 19.000 0.395 0.000 1.064 150 A HN 0.788 nan 8.150 nan 0.000 0.489 151 R N 0.610 121.092 120.500 -0.031 0.000 2.460 151 R HA 0.480 4.823 4.340 0.005 0.000 0.303 151 R C -0.189 175.896 176.300 -0.359 0.000 0.968 151 R CA -0.352 55.660 56.100 -0.147 0.000 0.889 151 R CB 1.671 31.888 30.300 -0.138 0.000 1.123 151 R HN 0.864 nan 8.270 nan 0.000 0.455 152 T N 0.565 114.806 114.554 -0.522 0.000 2.910 152 T HA 0.312 4.665 4.350 0.005 0.000 0.293 152 T C -2.146 172.203 174.700 -0.585 0.000 1.015 152 T CA -1.669 59.858 62.100 -0.954 0.000 1.094 152 T CB 0.899 69.305 68.868 -0.772 0.000 0.968 152 T HN 0.243 nan 8.240 nan 0.000 0.521 153 P HA 0.219 nan 4.420 nan 0.000 0.272 153 P C 0.541 177.664 177.300 -0.295 0.000 1.223 153 P CA -0.425 62.427 63.100 -0.413 0.000 0.784 153 P CB 0.207 31.661 31.700 -0.410 0.000 0.923 154 T N -1.712 112.708 114.554 -0.223 0.000 2.754 154 T HA 0.391 4.744 4.350 0.005 0.000 0.286 154 T C 1.415 176.028 174.700 -0.145 0.000 0.997 154 T CA -0.045 61.966 62.100 -0.148 0.000 0.982 154 T CB 0.294 69.115 68.868 -0.079 0.000 1.027 154 T HN 0.316 nan 8.240 nan 0.000 0.529 155 A N 0.658 123.417 122.820 -0.101 0.000 1.908 155 A HA 0.139 4.462 4.320 0.005 0.000 0.218 155 A C 2.659 180.173 177.584 -0.115 0.000 1.181 155 A CA 1.972 53.953 52.037 -0.093 0.000 0.627 155 A CB -1.609 17.356 19.000 -0.059 0.000 0.818 155 A HN 1.224 nan 8.150 nan 0.000 0.445 156 A N -0.915 121.849 122.820 -0.093 0.000 1.898 156 A HA -0.184 4.139 4.320 0.005 0.000 0.216 156 A C 2.118 179.441 177.584 -0.435 0.000 1.181 156 A CA 1.677 53.642 52.037 -0.120 0.000 0.620 156 A CB -0.530 18.527 19.000 0.096 0.000 0.819 156 A HN 0.641 nan 8.150 nan 0.000 0.442 157 Q N -0.382 119.169 119.800 -0.415 0.000 2.084 157 Q HA -0.076 4.267 4.340 0.005 0.000 0.202 157 Q C 2.067 177.846 176.000 -0.369 0.000 0.978 157 Q CA 1.492 56.922 55.803 -0.622 0.000 0.844 157 Q CB -0.331 28.143 28.738 -0.441 0.000 0.898 157 Q HN 0.678 nan 8.270 nan 0.000 0.426 158 L N -0.016 121.066 121.223 -0.235 0.000 2.046 158 L HA -0.194 4.149 4.340 0.005 0.000 0.208 158 L C 2.475 179.246 176.870 -0.166 0.000 1.077 158 L CA 1.029 55.784 54.840 -0.141 0.000 0.747 158 L CB -0.602 41.389 42.059 -0.112 0.000 0.896 158 L HN 0.235 nan 8.230 nan 0.000 0.432 159 A N -0.088 122.618 122.820 -0.190 0.000 1.972 159 A HA -0.121 4.202 4.320 0.005 0.000 0.219 159 A C 2.487 179.953 177.584 -0.197 0.000 1.169 159 A CA 1.545 53.489 52.037 -0.155 0.000 0.635 159 A CB -0.593 18.339 19.000 -0.113 0.000 0.810 159 A HN 0.407 nan 8.150 nan 0.000 0.446 160 A N -1.974 120.634 122.820 -0.354 0.000 2.015 160 A HA 0.333 4.657 4.320 0.005 0.000 0.219 160 A C 1.840 179.256 177.584 -0.280 0.000 1.163 160 A CA 1.947 53.765 52.037 -0.365 0.000 0.646 160 A CB -0.496 18.014 19.000 -0.817 0.000 0.806 160 A HN 1.622 nan 8.150 nan 0.000 0.448 161 G N -3.459 105.172 108.800 -0.282 0.000 3.272 161 G HA2 -0.030 3.933 3.960 0.005 0.000 0.219 161 G HA3 -0.030 3.933 3.960 0.005 0.000 0.219 161 G C 0.074 174.807 174.900 -0.279 0.000 0.952 161 G CA -0.056 44.892 45.100 -0.253 0.000 0.833 161 G HN 0.498 nan 8.290 nan 0.000 0.608 162 H N 0.852 119.780 119.070 -0.236 0.000 2.852 162 H HA 0.545 5.104 4.556 0.005 0.000 0.362 162 H C -0.247 175.017 175.328 -0.106 0.000 1.122 162 H CA 1.608 57.555 56.048 -0.168 0.000 1.419 162 H CB 1.661 31.311 29.762 -0.187 0.000 1.401 162 H HN 0.240 nan 8.280 nan 0.000 0.609 163 S N 2.329 118.087 115.700 0.096 0.000 2.562 163 S HA 0.380 4.853 4.470 0.005 0.000 0.274 163 S C -1.745 172.974 174.600 0.199 0.000 1.160 163 S CA -0.689 57.563 58.200 0.087 0.000 0.933 163 S CB 0.674 63.877 63.200 0.005 0.000 1.100 163 S HN 0.419 nan 8.310 nan 0.000 0.468 164 F N 4.665 124.618 119.950 0.004 0.000 2.529 164 F HA 0.590 5.120 4.527 0.005 0.000 0.320 164 F C -0.431 175.413 175.800 0.074 0.000 1.118 164 F CA -0.676 57.337 58.000 0.021 0.000 0.915 164 F CB 1.616 40.556 39.000 -0.100 0.000 1.161 164 F HN 0.612 nan 8.300 nan 0.000 0.445 165 N N 4.463 123.130 118.700 -0.055 0.000 2.527 165 N HA 0.308 5.051 4.740 0.005 0.000 0.236 165 N C 0.415 175.866 175.510 -0.098 0.000 0.999 165 N CA 0.199 53.252 53.050 0.005 0.000 0.935 165 N CB 1.536 40.055 38.487 0.052 0.000 1.132 165 N HN 0.765 nan 8.380 nan 0.000 0.511 166 A N 2.477 125.297 122.820 -0.001 0.000 2.070 166 A HA -0.151 4.172 4.320 0.005 0.000 0.220 166 A C 1.906 179.539 177.584 0.082 0.000 1.159 166 A CA 2.035 54.098 52.037 0.043 0.000 0.656 166 A CB -0.872 18.288 19.000 0.266 0.000 0.800 166 A HN 0.767 nan 8.150 nan 0.000 0.453 167 T N -3.854 110.754 114.554 0.089 0.000 3.007 167 T HA -0.126 4.228 4.350 0.005 0.000 0.270 167 T C 1.502 176.269 174.700 0.113 0.000 1.107 167 T CA 1.443 63.606 62.100 0.106 0.000 1.118 167 T CB -0.956 67.990 68.868 0.130 0.000 0.889 167 T HN 0.429 nan 8.240 nan 0.000 0.506 168 c N 0.959 119.620 118.600 0.102 0.000 2.696 168 c HA 0.285 4.858 4.570 0.005 0.000 0.264 168 c C 0.832 174.770 174.090 -0.254 0.000 1.288 168 c CA -0.881 55.480 56.329 0.053 0.000 1.717 168 c CB -1.296 41.231 42.510 0.028 0.000 1.893 168 c HN 0.586 nan 8.230 nan 0.000 0.577 169 H N 0.587 119.591 119.070 -0.110 0.000 2.459 169 H HA 0.404 4.963 4.556 0.005 0.000 0.332 169 H C 0.488 175.812 175.328 -0.007 0.000 1.094 169 H CA 0.071 56.098 56.048 -0.034 0.000 1.224 169 H CB 1.369 31.110 29.762 -0.035 0.000 1.449 169 H HN 0.312 nan 8.280 nan 0.000 0.484 170 G N 0.672 109.528 108.800 0.093 0.000 2.467 170 G HA2 0.218 4.181 3.960 0.005 0.000 0.257 170 G HA3 0.218 4.181 3.960 0.005 0.000 0.257 170 G C 0.793 175.755 174.900 0.103 0.000 1.227 170 G CA -0.280 44.850 45.100 0.049 0.000 0.835 170 G HN 0.697 nan 8.290 nan 0.000 0.556 171 T N -1.797 112.793 114.554 0.061 0.000 3.043 171 T HA 0.123 4.477 4.350 0.005 0.000 0.272 171 T C 1.050 175.758 174.700 0.014 0.000 0.990 171 T CA -0.182 61.951 62.100 0.054 0.000 0.897 171 T CB 0.286 69.188 68.868 0.057 0.000 1.111 171 T HN 0.408 nan 8.240 nan 0.000 0.529 172 N N 0.823 119.525 118.700 0.003 0.000 2.171 172 N HA 0.336 5.080 4.740 0.005 0.000 0.212 172 N C 0.977 176.470 175.510 -0.027 0.000 1.184 172 N CA 0.074 53.115 53.050 -0.015 0.000 0.888 172 N CB 0.540 39.020 38.487 -0.012 0.000 1.038 172 N HN 0.492 nan 8.380 nan 0.000 0.517 173 G N -1.143 107.644 108.800 -0.021 0.000 2.516 173 G HA2 0.110 4.073 3.960 0.005 0.000 0.276 173 G HA3 0.110 4.073 3.960 0.005 0.000 0.276 173 G C 0.613 175.437 174.900 -0.127 0.000 1.390 173 G CA 0.122 45.201 45.100 -0.035 0.000 1.050 173 G HN 0.183 nan 8.290 nan 0.000 0.519 174 T N -0.777 113.644 114.554 -0.222 0.000 2.983 174 T HA 0.057 4.411 4.350 0.005 0.000 0.250 174 T C 0.986 175.421 174.700 -0.442 0.000 1.037 174 T CA 0.304 62.123 62.100 -0.469 0.000 1.142 174 T CB 0.104 68.342 68.868 -1.049 0.000 0.876 174 T HN 0.117 nan 8.240 nan 0.000 0.455 175 V N 3.330 123.028 119.914 -0.361 0.000 2.385 175 V HA 0.226 4.349 4.120 0.005 0.000 0.269 175 V C 0.089 175.983 176.094 -0.333 0.000 1.043 175 V CA -0.661 61.422 62.300 -0.362 0.000 0.906 175 V CB 0.768 32.360 31.823 -0.385 0.000 0.995 175 V HN 0.400 nan 8.190 nan 0.000 0.467 176 Q N 2.934 122.554 119.800 -0.300 0.000 2.373 176 Q HA 0.470 4.813 4.340 0.005 0.000 0.255 176 Q C 0.193 175.958 176.000 -0.393 0.000 0.980 176 Q CA -0.033 55.614 55.803 -0.259 0.000 0.882 176 Q CB 1.227 29.857 28.738 -0.179 0.000 1.249 176 Q HN 0.929 nan 8.270 nan 0.000 0.438 177 S N -0.053 115.456 115.700 -0.317 0.000 2.569 177 S HA 0.948 5.421 4.470 0.005 0.000 0.280 177 S C -0.452 174.069 174.600 -0.131 0.000 1.111 177 S CA -0.343 57.630 58.200 -0.378 0.000 0.887 177 S CB 2.306 65.148 63.200 -0.597 0.000 1.095 177 S HN 0.843 nan 8.310 nan 0.000 0.476 178 G N -0.016 108.734 108.800 -0.084 0.000 2.451 178 G HA2 0.672 4.635 3.960 0.005 0.000 0.292 178 G HA3 0.672 4.635 3.960 0.005 0.000 0.292 178 G C -0.930 173.954 174.900 -0.028 0.000 1.427 178 G CA -0.349 44.717 45.100 -0.056 0.000 0.792 178 G HN 1.341 nan 8.290 nan 0.000 0.498 179 A N 0.199 122.953 122.820 -0.110 0.000 2.440 179 A HA 0.626 4.950 4.320 0.005 0.000 0.251 179 A C 0.871 178.490 177.584 0.059 0.000 1.089 179 A CA -0.054 51.916 52.037 -0.112 0.000 0.779 179 A CB 0.222 18.924 19.000 -0.497 0.000 1.022 179 A HN 0.880 nan 8.150 nan 0.000 0.492 180 R N 1.491 122.096 120.500 0.174 0.000 2.537 180 R HA 0.203 4.546 4.340 0.005 0.000 0.280 180 R C -1.351 175.104 176.300 0.259 0.000 1.058 180 R CA 0.130 56.334 56.100 0.173 0.000 1.057 180 R CB 0.388 30.796 30.300 0.180 0.000 0.973 180 R HN 0.724 nan 8.270 nan 0.000 0.438 181 D N 3.257 123.741 120.400 0.139 0.000 2.365 181 D HA 0.037 4.680 4.640 0.005 0.000 0.235 181 D C -0.607 175.664 176.300 -0.048 0.000 1.368 181 D CA -0.603 53.445 54.000 0.080 0.000 1.001 181 D CB 0.728 41.658 40.800 0.217 0.000 1.364 181 D HN 0.702 nan 8.370 nan 0.000 0.577 182 N N 2.628 121.234 118.700 -0.157 0.000 2.370 182 N HA 0.188 4.932 4.740 0.005 0.000 0.198 182 N C 1.366 176.798 175.510 -0.130 0.000 1.156 182 N CA 0.520 53.507 53.050 -0.106 0.000 0.839 182 N CB 0.419 38.847 38.487 -0.098 0.000 0.989 182 N HN 0.572 nan 8.380 nan 0.000 0.468 183 G N -0.916 107.779 108.800 -0.174 0.000 2.225 183 G HA2 -0.319 3.645 3.960 0.005 0.000 0.254 183 G HA3 -0.319 3.645 3.960 0.005 0.000 0.254 183 G C -0.154 174.626 174.900 -0.200 0.000 0.988 183 G CA 0.239 45.252 45.100 -0.144 0.000 0.625 183 G HN 0.518 nan 8.290 nan 0.000 0.527 184 Q N 0.976 120.603 119.800 -0.288 0.000 2.312 184 Q HA 0.465 4.808 4.340 0.005 0.000 0.236 184 Q C -2.255 173.507 176.000 -0.396 0.000 0.965 184 Q CA -1.782 53.855 55.803 -0.276 0.000 0.894 184 Q CB 0.684 29.272 28.738 -0.251 0.000 1.225 184 Q HN 0.186 nan 8.270 nan 0.000 0.478 185 P HA -0.126 nan 4.420 nan 0.000 0.266 185 P C -1.278 175.863 177.300 -0.265 0.000 1.193 185 P CA 0.268 63.261 63.100 -0.178 0.000 0.770 185 P CB 0.334 31.995 31.700 -0.065 0.000 0.836 186 W N 1.523 122.809 121.300 -0.022 0.000 2.266 186 W HA 0.260 4.924 4.660 0.006 0.000 0.317 186 W C 1.173 177.655 176.519 -0.061 0.000 1.310 186 W CA 0.183 57.508 57.345 -0.034 0.000 1.207 186 W CB 0.326 29.771 29.460 -0.025 0.000 1.199 186 W HN 0.250 nan 8.180 nan 0.000 0.544 187 S N 4.654 120.429 115.700 0.124 0.000 2.572 187 S HA 0.115 4.588 4.470 0.005 0.000 0.279 187 S C -0.914 173.665 174.600 -0.035 0.000 1.341 187 S CA -1.089 57.104 58.200 -0.011 0.000 1.043 187 S CB 0.805 63.966 63.200 -0.065 0.000 0.887 187 S HN 0.385 nan 8.310 nan 0.000 0.516 188 P HA 0.142 nan 4.420 nan 0.000 0.249 188 P C 1.226 178.318 177.300 -0.348 0.000 1.229 188 P CA 0.356 63.328 63.100 -0.212 0.000 0.788 188 P CB -0.036 31.538 31.700 -0.210 0.000 1.072 189 I N -0.938 119.374 120.570 -0.431 0.000 2.394 189 I HA -0.221 3.952 4.170 0.005 0.000 0.251 189 I C 2.206 178.225 176.117 -0.164 0.000 1.136 189 I CA 1.307 62.400 61.300 -0.346 0.000 1.425 189 I CB -0.619 37.211 38.000 -0.284 0.000 1.079 189 I HN -0.114 nan 8.210 nan 0.000 0.425 190 M N 0.433 119.953 119.600 -0.134 0.000 2.086 190 M HA -0.209 4.274 4.480 0.005 0.000 0.261 190 M C 2.220 178.455 176.300 -0.108 0.000 1.067 190 M CA 1.819 57.048 55.300 -0.119 0.000 1.116 190 M CB -0.545 31.978 32.600 -0.128 0.000 1.348 190 M HN -0.106 nan 8.290 nan 0.000 0.407 191 K N 0.195 120.536 120.400 -0.098 0.000 2.057 191 K HA 0.021 4.344 4.320 0.005 0.000 0.207 191 K C 1.936 178.516 176.600 -0.034 0.000 1.049 191 K CA 1.537 57.782 56.287 -0.071 0.000 0.931 191 K CB -0.509 31.959 32.500 -0.054 0.000 0.714 191 K HN 0.298 nan 8.250 nan 0.000 0.440 192 A N 0.445 123.261 122.820 -0.007 0.000 1.902 192 A HA -0.147 4.177 4.320 0.005 0.000 0.217 192 A C 2.060 179.663 177.584 0.032 0.000 1.181 192 A CA 1.596 53.677 52.037 0.074 0.000 0.623 192 A CB -0.680 18.452 19.000 0.220 0.000 0.818 192 A HN 0.341 nan 8.150 nan 0.000 0.443 193 L N -0.586 120.634 121.223 -0.005 0.000 2.046 193 L HA -0.119 4.224 4.340 0.005 0.000 0.208 193 L C 2.477 179.293 176.870 -0.091 0.000 1.077 193 L CA 2.151 56.977 54.840 -0.022 0.000 0.747 193 L CB -0.521 41.533 42.059 -0.007 0.000 0.896 193 L HN 0.449 nan 8.230 nan 0.000 0.432 194 M N -0.556 118.984 119.600 -0.099 0.000 2.086 194 M HA -0.208 4.275 4.480 0.005 0.000 0.261 194 M C 1.930 178.175 176.300 -0.092 0.000 1.067 194 M CA 1.735 56.963 55.300 -0.121 0.000 1.116 194 M CB -0.636 31.901 32.600 -0.106 0.000 1.348 194 M HN 0.311 nan 8.290 nan 0.000 0.407 195 N N -0.088 118.580 118.700 -0.053 0.000 2.166 195 N HA -0.105 4.638 4.740 0.005 0.000 0.186 195 N C 1.683 177.171 175.510 -0.036 0.000 1.019 195 N CA 1.753 54.784 53.050 -0.033 0.000 0.856 195 N CB -0.738 37.746 38.487 -0.004 0.000 0.993 195 N HN 0.350 nan 8.380 nan 0.000 0.426 196 T N 1.091 115.623 114.554 -0.037 0.000 2.674 196 T HA -0.098 4.256 4.350 0.005 0.000 0.265 196 T C 2.183 176.839 174.700 -0.074 0.000 1.039 196 T CA 1.748 63.824 62.100 -0.040 0.000 1.150 196 T CB -0.456 68.397 68.868 -0.025 0.000 0.864 196 T HN 0.257 nan 8.240 nan 0.000 0.427 197 V N 1.470 121.302 119.914 -0.137 0.000 2.548 197 V HA -0.080 4.043 4.120 0.005 0.000 0.249 197 V C 2.543 178.565 176.094 -0.119 0.000 1.055 197 V CA 1.809 63.998 62.300 -0.184 0.000 1.065 197 V CB -1.294 30.271 31.823 -0.430 0.000 0.681 197 V HN 0.579 nan 8.190 nan 0.000 0.462 198 S N 1.866 117.506 115.700 -0.100 0.000 2.399 198 S HA -0.033 4.440 4.470 0.005 0.000 0.231 198 S C 2.140 176.719 174.600 -0.036 0.000 1.022 198 S CA 1.385 59.549 58.200 -0.060 0.000 0.983 198 S CB -0.797 62.372 63.200 -0.051 0.000 0.803 198 S HN 1.114 nan 8.310 nan 0.000 0.480 199 A N 1.914 124.714 122.820 -0.034 0.000 1.978 199 A HA 0.152 4.476 4.320 0.005 0.000 0.220 199 A C 2.171 179.746 177.584 -0.014 0.000 1.170 199 A CA 1.375 53.400 52.037 -0.020 0.000 0.636 199 A CB -0.771 18.219 19.000 -0.018 0.000 0.810 199 A HN 0.618 nan 8.150 nan 0.000 0.448 200 L N -1.577 119.635 121.223 -0.019 0.000 2.591 200 L HA 0.247 4.590 4.340 0.005 0.000 0.228 200 L C 1.575 178.450 176.870 0.007 0.000 1.133 200 L CA 0.469 55.306 54.840 -0.005 0.000 0.880 200 L CB -0.291 41.765 42.059 -0.004 0.000 1.033 200 L HN 0.549 nan 8.230 nan 0.000 0.450 201 G N 0.142 108.943 108.800 0.001 0.000 2.141 201 G HA2 -0.229 3.734 3.960 0.005 0.000 0.231 201 G HA3 -0.229 3.734 3.960 0.005 0.000 0.231 201 G C 0.141 175.055 174.900 0.023 0.000 0.984 201 G CA -0.111 44.998 45.100 0.014 0.000 0.660 201 G HN 0.091 nan 8.290 nan 0.000 0.525 202 V N 2.195 122.112 119.914 0.004 0.000 2.530 202 V HA 0.424 4.547 4.120 0.005 0.000 0.282 202 V C -1.281 174.808 176.094 -0.008 0.000 1.048 202 V CA -1.384 60.924 62.300 0.014 0.000 0.997 202 V CB 1.316 33.112 31.823 -0.046 0.000 0.987 202 V HN 0.154 nan 8.190 nan 0.000 0.477 203 P HA 0.197 nan 4.420 nan 0.000 0.267 203 P C -0.756 176.550 177.300 0.009 0.000 1.200 203 P CA 0.197 63.318 63.100 0.035 0.000 0.772 203 P CB 0.538 32.281 31.700 0.073 0.000 0.855 204 V N -1.065 118.845 119.914 -0.008 0.000 3.007 204 V HA 0.441 4.564 4.120 0.005 0.000 0.311 204 V C 0.096 176.165 176.094 -0.041 0.000 1.120 204 V CA -0.964 61.312 62.300 -0.040 0.000 0.980 204 V CB 1.532 33.309 31.823 -0.076 0.000 1.033 204 V HN 0.573 nan 8.190 nan 0.000 0.429 205 Q N -0.307 119.438 119.800 -0.092 0.000 2.494 205 Q HA -0.171 4.173 4.340 0.005 0.000 0.266 205 Q C -0.126 175.816 176.000 -0.097 0.000 1.053 205 Q CA 0.856 56.584 55.803 -0.124 0.000 1.029 205 Q CB -0.799 27.890 28.738 -0.081 0.000 1.423 205 Q HN 0.895 nan 8.270 nan 0.000 0.516 206 Q N 1.006 120.765 119.800 -0.068 0.000 2.373 206 Q HA 0.103 4.446 4.340 0.005 0.000 0.255 206 Q C 0.097 176.035 176.000 -0.102 0.000 0.980 206 Q CA 0.221 56.032 55.803 0.013 0.000 0.882 206 Q CB 0.590 29.428 28.738 0.166 0.000 1.249 206 Q HN 0.095 nan 8.270 nan 0.000 0.438 207 D N 1.813 122.222 120.400 0.014 0.000 2.336 207 D HA 0.035 4.678 4.640 0.005 0.000 0.249 207 D C -0.007 176.403 176.300 0.183 0.000 1.213 207 D CA -0.346 53.674 54.000 0.033 0.000 0.870 207 D CB 0.268 41.125 40.800 0.095 0.000 1.076 207 D HN 0.237 nan 8.370 nan 0.000 0.483 208 F N 2.907 122.944 119.950 0.144 0.000 2.805 208 F HA 0.021 4.551 4.527 0.005 0.000 0.301 208 F C 1.761 177.618 175.800 0.094 0.000 1.196 208 F CA 0.083 58.155 58.000 0.120 0.000 1.439 208 F CB -0.381 38.767 39.000 0.247 0.000 1.117 208 F HN 0.429 nan 8.300 nan 0.000 0.581 209 L N -1.826 119.539 121.223 0.237 0.000 2.607 209 L HA 0.016 4.359 4.340 0.005 0.000 0.228 209 L C 1.195 178.227 176.870 0.270 0.000 1.123 209 L CA 0.244 55.177 54.840 0.156 0.000 0.890 209 L CB -0.301 41.679 42.059 -0.132 0.000 1.103 209 L HN 0.131 nan 8.230 nan 0.000 0.468 210 c N -0.048 118.673 118.600 0.202 0.000 2.791 210 c HA 0.403 4.977 4.570 0.005 0.000 0.270 210 c C 1.776 175.854 174.090 -0.021 0.000 1.257 210 c CA 0.430 56.859 56.329 0.167 0.000 1.699 210 c CB -0.612 41.959 42.510 0.102 0.000 1.904 210 c HN 0.796 nan 8.230 nan 0.000 0.603 211 G N 0.233 108.936 108.800 -0.162 0.000 2.231 211 G HA2 -0.192 3.771 3.960 0.005 0.000 0.206 211 G HA3 -0.192 3.771 3.960 0.005 0.000 0.206 211 G C -0.021 174.529 174.900 -0.584 0.000 0.996 211 G CA 0.264 44.841 45.100 -0.872 0.000 0.645 211 G HN 0.569 nan 8.290 nan 0.000 0.498 212 H N 0.950 119.787 119.070 -0.388 0.000 2.600 212 H HA 0.468 5.027 4.556 0.006 0.000 0.224 212 H C -2.720 172.489 175.328 -0.200 0.000 1.413 212 H CA -1.383 54.471 56.048 -0.323 0.000 1.401 212 H CB 1.311 30.923 29.762 -0.250 0.000 1.772 212 H HN 0.170 nan 8.280 nan 0.000 0.528 213 P HA 0.185 nan 4.420 nan 0.000 0.264 213 P C -0.407 176.543 177.300 -0.584 0.000 1.236 213 P CA 0.076 62.845 63.100 -0.552 0.000 0.811 213 P CB 0.401 31.442 31.700 -1.098 0.000 0.840 214 R N 2.247 122.642 120.500 -0.176 0.000 2.626 214 R HA 0.664 5.007 4.340 0.005 0.000 0.274 214 R C 0.457 176.935 176.300 0.297 0.000 1.031 214 R CA 0.006 56.077 56.100 -0.048 0.000 0.898 214 R CB 2.255 32.413 30.300 -0.237 0.000 1.222 214 R HN 0.722 nan 8.270 nan 0.000 0.455 215 G N 0.403 109.426 108.800 0.371 0.000 2.632 215 G HA2 -0.247 3.716 3.960 0.005 0.000 0.224 215 G HA3 -0.247 3.716 3.960 0.005 0.000 0.224 215 G C -1.231 173.917 174.900 0.413 0.000 1.341 215 G CA -0.446 44.862 45.100 0.346 0.000 0.880 215 G HN 0.391 nan 8.290 nan 0.000 0.566 216 V N 1.183 121.138 119.914 0.069 0.000 2.370 216 V HA 0.713 4.836 4.120 0.005 0.000 0.283 216 V C 0.384 176.466 176.094 -0.021 0.000 1.023 216 V CA 0.322 62.631 62.300 0.015 0.000 0.857 216 V CB 1.049 32.727 31.823 -0.243 0.000 0.985 216 V HN 1.068 nan 8.190 nan 0.000 0.443 217 S N 4.643 120.311 115.700 -0.053 0.000 2.618 217 S HA 0.693 5.167 4.470 0.005 0.000 0.277 217 S C -0.569 173.846 174.600 -0.309 0.000 1.138 217 S CA -0.835 57.148 58.200 -0.362 0.000 0.844 217 S CB 2.023 64.635 63.200 -0.981 0.000 1.127 217 S HN 0.587 nan 8.310 nan 0.000 0.474 218 M N 2.062 121.430 119.600 -0.387 0.000 2.359 218 M HA 0.566 5.050 4.480 0.005 0.000 0.322 218 M C -0.409 175.743 176.300 -0.247 0.000 1.166 218 M CA -0.446 54.595 55.300 -0.433 0.000 1.067 218 M CB 0.703 32.751 32.600 -0.920 0.000 1.523 218 M HN 0.679 nan 8.290 nan 0.000 0.467 219 I N -1.605 118.955 120.570 -0.016 0.000 3.002 219 I HA 0.555 4.728 4.170 0.005 0.000 0.310 219 I C -0.661 175.686 176.117 0.383 0.000 1.087 219 I CA -1.291 60.140 61.300 0.219 0.000 1.017 219 I CB 1.611 39.781 38.000 0.283 0.000 1.226 219 I HN 0.463 nan 8.210 nan 0.000 0.443 220 M N 2.321 122.174 119.600 0.423 0.000 2.202 220 M HA 0.339 4.822 4.480 0.005 0.000 0.316 220 M C -0.383 176.136 176.300 0.366 0.000 1.138 220 M CA 0.329 55.865 55.300 0.393 0.000 1.151 220 M CB 0.189 33.099 32.600 0.517 0.000 1.422 220 M HN 0.709 nan 8.290 nan 0.000 0.471 221 N N 0.979 119.810 118.700 0.218 0.000 2.405 221 N HA 0.288 5.032 4.740 0.005 0.000 0.285 221 N C -0.859 174.618 175.510 -0.055 0.000 1.262 221 N CA -0.738 52.414 53.050 0.170 0.000 0.773 221 N CB 1.523 40.087 38.487 0.129 0.000 1.490 221 N HN 0.546 nan 8.380 nan 0.000 0.486 222 N N 2.409 121.048 118.700 -0.103 0.000 2.968 222 N HA 0.167 4.910 4.740 0.005 0.000 0.271 222 N C -1.203 174.204 175.510 -0.172 0.000 1.174 222 N CA 0.069 52.892 53.050 -0.378 0.000 1.096 222 N CB -0.074 38.215 38.487 -0.329 0.000 1.403 222 N HN 0.376 nan 8.380 nan 0.000 0.522 223 L N 0.729 121.859 121.223 -0.155 0.000 2.386 223 L HA 0.361 4.704 4.340 0.005 0.000 0.271 223 L C 0.115 176.929 176.870 -0.093 0.000 0.993 223 L CA -1.222 53.572 54.840 -0.077 0.000 0.819 223 L CB 1.785 43.830 42.059 -0.024 0.000 1.294 223 L HN 0.282 nan 8.230 nan 0.000 0.414 224 D N 1.039 121.400 120.400 -0.065 0.000 2.398 224 D HA -0.025 4.618 4.640 0.005 0.000 0.264 224 D C 0.912 177.184 176.300 -0.047 0.000 1.263 224 D CA -0.370 53.590 54.000 -0.067 0.000 1.037 224 D CB 0.434 41.201 40.800 -0.055 0.000 1.101 224 D HN 0.628 nan 8.370 nan 0.000 0.551 225 E N -0.271 119.901 120.200 -0.047 0.000 2.418 225 E HA -0.188 4.165 4.350 0.005 0.000 0.197 225 E C 0.297 176.882 176.600 -0.024 0.000 1.026 225 E CA 0.742 57.117 56.400 -0.040 0.000 0.862 225 E CB -0.861 28.812 29.700 -0.046 0.000 0.799 225 E HN 0.584 nan 8.360 nan 0.000 0.518 226 N N 0.957 119.648 118.700 -0.015 0.000 2.322 226 N HA -0.003 4.740 4.740 0.005 0.000 0.194 226 N C -0.335 175.198 175.510 0.037 0.000 1.126 226 N CA -0.022 53.026 53.050 -0.004 0.000 0.845 226 N CB 0.296 38.776 38.487 -0.012 0.000 0.976 226 N HN -0.013 nan 8.380 nan 0.000 0.475 227 Q N -0.594 119.227 119.800 0.035 0.000 2.502 227 Q HA -0.145 4.198 4.340 0.005 0.000 0.273 227 Q C -0.944 175.115 176.000 0.098 0.000 1.127 227 Q CA 0.491 56.330 55.803 0.060 0.000 0.952 227 Q CB -1.992 26.794 28.738 0.079 0.000 1.333 227 Q HN 0.202 nan 8.270 nan 0.000 0.494 228 V N 1.043 121.005 119.914 0.080 0.000 2.481 228 V HA 0.279 4.402 4.120 0.005 0.000 0.286 228 V C 1.059 177.174 176.094 0.035 0.000 1.042 228 V CA -0.526 61.832 62.300 0.096 0.000 0.928 228 V CB 1.685 33.571 31.823 0.105 0.000 0.986 228 V HN 0.256 nan 8.190 nan 0.000 0.462 229 R N 3.632 124.147 120.500 0.026 0.000 2.502 229 R HA 0.093 4.436 4.340 0.005 0.000 0.292 229 R C -0.793 175.518 176.300 0.018 0.000 0.998 229 R CA -0.097 56.014 56.100 0.018 0.000 1.056 229 R CB 0.411 30.721 30.300 0.018 0.000 0.939 229 R HN 0.526 nan 8.270 nan 0.000 0.411 230 V N 6.493 126.407 119.914 0.001 0.000 2.222 230 V HA 0.021 4.145 4.120 0.005 0.000 0.253 230 V C -0.025 176.114 176.094 0.074 0.000 1.210 230 V CA -0.456 61.840 62.300 -0.007 0.000 1.079 230 V CB -0.090 31.676 31.823 -0.095 0.000 1.265 230 V HN 0.870 nan 8.190 nan 0.000 0.494 231 D N 3.110 123.567 120.400 0.095 0.000 2.371 231 D HA 0.366 5.009 4.640 0.005 0.000 0.242 231 D C 1.370 177.814 176.300 0.240 0.000 1.218 231 D CA 0.098 54.197 54.000 0.165 0.000 0.945 231 D CB 1.229 42.088 40.800 0.098 0.000 1.137 231 D HN 0.281 nan 8.370 nan 0.000 0.464 232 A N 0.458 123.489 122.820 0.352 0.000 2.015 232 A HA 0.053 4.377 4.320 0.005 0.000 0.219 232 A C 2.151 179.988 177.584 0.422 0.000 1.163 232 A CA 1.661 54.016 52.037 0.530 0.000 0.646 232 A CB -1.221 18.093 19.000 0.523 0.000 0.806 232 A HN 0.670 nan 8.150 nan 0.000 0.448 233 A N -0.211 122.770 122.820 0.267 0.000 1.897 233 A HA -0.088 4.236 4.320 0.005 0.000 0.215 233 A C 2.208 179.946 177.584 0.256 0.000 1.181 233 A CA 1.497 53.696 52.037 0.269 0.000 0.620 233 A CB -0.456 18.673 19.000 0.214 0.000 0.821 233 A HN 0.527 nan 8.150 nan 0.000 0.443 234 R N -0.352 120.250 120.500 0.172 0.000 2.091 234 R HA -0.130 4.214 4.340 0.005 0.000 0.238 234 R C 2.249 178.577 176.300 0.048 0.000 1.136 234 R CA 1.572 57.744 56.100 0.121 0.000 0.959 234 R CB -0.351 29.987 30.300 0.064 0.000 0.856 234 R HN 0.453 nan 8.270 nan 0.000 0.437 235 A N -0.574 122.244 122.820 -0.004 0.000 1.872 235 A HA -0.120 4.203 4.320 0.005 0.000 0.214 235 A C 1.475 178.824 177.584 -0.391 0.000 1.187 235 A CA 1.100 52.970 52.037 -0.278 0.000 0.614 235 A CB -0.588 18.156 19.000 -0.427 0.000 0.826 235 A HN 0.575 nan 8.150 nan 0.000 0.442 236 W N -2.209 119.156 121.300 0.108 0.000 2.993 236 W HA 0.347 5.010 4.660 0.005 0.000 0.290 236 W C 1.616 178.205 176.519 0.116 0.000 1.203 236 W CA 0.010 57.418 57.345 0.106 0.000 1.582 236 W CB 0.321 29.860 29.460 0.132 0.000 1.033 236 W HN 0.310 nan 8.180 nan 0.000 0.594 237 L N -0.364 121.058 121.223 0.333 0.000 2.388 237 L HA 0.216 4.559 4.340 0.005 0.000 0.209 237 L C 2.038 179.071 176.870 0.271 0.000 1.061 237 L CA 1.006 56.016 54.840 0.283 0.000 0.834 237 L CB -1.086 41.137 42.059 0.273 0.000 1.029 237 L HN -0.049 nan 8.230 nan 0.000 0.473 238 L N 1.157 122.523 121.223 0.238 0.000 2.013 238 L HA -0.071 4.272 4.340 0.005 0.000 0.212 238 L C -0.691 176.343 176.870 0.272 0.000 1.073 238 L CA 2.267 57.240 54.840 0.222 0.000 0.753 238 L CB -1.749 40.416 42.059 0.176 0.000 0.890 238 L HN 0.210 nan 8.230 nan 0.000 0.432 239 P HA -0.011 nan 4.420 nan 0.000 0.225 239 P C 0.419 177.758 177.300 0.065 0.000 1.156 239 P CA 1.102 64.254 63.100 0.086 0.000 0.787 239 P CB 0.037 31.746 31.700 0.016 0.000 0.802 240 N N -1.715 117.055 118.700 0.117 0.000 2.171 240 N HA 0.033 4.776 4.740 0.005 0.000 0.212 240 N C 1.108 176.644 175.510 0.044 0.000 1.184 240 N CA -0.061 53.027 53.050 0.064 0.000 0.888 240 N CB -0.240 38.322 38.487 0.124 0.000 1.038 240 N HN 0.303 nan 8.380 nan 0.000 0.517 241 Y N 0.782 121.092 120.300 0.017 0.000 2.497 241 Y HA 0.107 4.661 4.550 0.006 0.000 0.292 241 Y C 1.597 177.493 175.900 -0.006 0.000 1.137 241 Y CA 0.818 58.918 58.100 -0.001 0.000 1.285 241 Y CB -0.340 38.094 38.460 -0.042 0.000 0.991 241 Y HN -0.064 nan 8.280 nan 0.000 0.556 242 Q N 0.829 120.227 119.800 -0.671 0.000 2.451 242 Q HA 0.092 4.435 4.340 0.005 0.000 0.206 242 Q C 0.205 176.095 176.000 -0.185 0.000 0.947 242 Q CA -0.066 55.459 55.803 -0.463 0.000 0.937 242 Q CB 0.101 28.530 28.738 -0.515 0.000 1.025 242 Q HN 0.423 nan 8.270 nan 0.000 0.511 243 R N 1.064 121.496 120.500 -0.114 0.000 2.502 243 R HA -0.040 4.303 4.340 0.005 0.000 0.292 243 R C 1.342 177.633 176.300 -0.015 0.000 0.998 243 R CA 0.315 56.390 56.100 -0.042 0.000 1.056 243 R CB 0.450 30.746 30.300 -0.006 0.000 0.939 243 R HN 0.225 nan 8.270 nan 0.000 0.411 244 S N 1.864 117.560 115.700 -0.006 0.000 2.481 244 S HA -0.120 4.353 4.470 0.005 0.000 0.231 244 S C 1.124 175.749 174.600 0.043 0.000 0.996 244 S CA 0.884 59.093 58.200 0.015 0.000 0.942 244 S CB -0.052 63.154 63.200 0.010 0.000 0.768 244 S HN 0.756 nan 8.310 nan 0.000 0.520 245 N N 0.845 119.572 118.700 0.045 0.000 2.280 245 N HA 0.147 4.890 4.740 0.005 0.000 0.192 245 N C -0.156 175.406 175.510 0.087 0.000 1.109 245 N CA -0.222 52.872 53.050 0.072 0.000 0.855 245 N CB -0.172 38.348 38.487 0.055 0.000 0.974 245 N HN 0.442 nan 8.380 nan 0.000 0.482 246 L N 1.112 122.374 121.223 0.065 0.000 2.294 246 L HA 0.457 4.801 4.340 0.005 0.000 0.283 246 L C -0.908 175.994 176.870 0.053 0.000 1.015 246 L CA -0.472 54.400 54.840 0.054 0.000 0.831 246 L CB 1.044 43.132 42.059 0.050 0.000 1.217 246 L HN -0.015 nan 8.230 nan 0.000 0.420 247 E N 5.819 126.033 120.200 0.024 0.000 2.187 247 E HA 0.499 4.852 4.350 0.005 0.000 0.268 247 E C -1.081 175.473 176.600 -0.077 0.000 0.896 247 E CA -0.686 55.716 56.400 0.004 0.000 0.766 247 E CB 2.089 31.824 29.700 0.058 0.000 1.142 247 E HN 0.420 nan 8.360 nan 0.000 0.408 248 I N 3.939 124.486 120.570 -0.037 0.000 2.389 248 I HA 0.247 4.420 4.170 0.005 0.000 0.288 248 I C -0.617 175.455 176.117 -0.075 0.000 0.999 248 I CA -0.839 60.425 61.300 -0.059 0.000 1.129 248 I CB 1.025 39.024 38.000 -0.002 0.000 1.288 248 I HN 0.409 nan 8.210 nan 0.000 0.444 249 L N 7.988 129.125 121.223 -0.143 0.000 2.265 249 L HA 0.557 4.900 4.340 0.005 0.000 0.289 249 L C 0.409 177.193 176.870 -0.143 0.000 1.033 249 L CA 0.231 54.984 54.840 -0.145 0.000 0.814 249 L CB 1.263 43.169 42.059 -0.255 0.000 1.203 249 L HN 0.775 nan 8.230 nan 0.000 0.423 250 T N 0.814 115.299 114.554 -0.115 0.000 2.952 250 T HA 0.670 5.024 4.350 0.005 0.000 0.286 250 T C 0.831 175.296 174.700 -0.391 0.000 1.024 250 T CA -0.236 61.700 62.100 -0.273 0.000 1.029 250 T CB 1.521 70.272 68.868 -0.195 0.000 1.094 250 T HN 1.335 nan 8.240 nan 0.000 0.515 251 G N 0.767 109.077 108.800 -0.816 0.000 2.148 251 G HA2 -0.165 3.798 3.960 0.005 0.000 0.254 251 G HA3 -0.165 3.798 3.960 0.005 0.000 0.254 251 G C -0.112 174.722 174.900 -0.110 0.000 0.981 251 G CA 0.056 44.791 45.100 -0.609 0.000 0.670 251 G HN 0.848 nan 8.290 nan 0.000 0.528 252 Q N -0.893 118.868 119.800 -0.065 0.000 2.413 252 Q HA 0.761 5.105 4.340 0.005 0.000 0.276 252 Q C -0.085 176.009 176.000 0.157 0.000 1.099 252 Q CA -0.498 55.384 55.803 0.132 0.000 0.814 252 Q CB 1.793 30.677 28.738 0.244 0.000 1.379 252 Q HN 0.412 nan 8.270 nan 0.000 0.436 253 M N 0.861 120.654 119.600 0.322 0.000 2.456 253 M HA 0.424 4.908 4.480 0.005 0.000 0.324 253 M C -0.431 176.165 176.300 0.494 0.000 1.124 253 M CA -0.908 54.614 55.300 0.371 0.000 0.959 253 M CB 2.253 35.169 32.600 0.527 0.000 1.692 253 M HN 0.192 nan 8.290 nan 0.000 0.444 254 V N 2.361 122.491 119.914 0.359 0.000 2.530 254 V HA 0.311 4.435 4.120 0.005 0.000 0.282 254 V C 0.847 177.136 176.094 0.324 0.000 1.048 254 V CA 0.410 62.910 62.300 0.333 0.000 0.997 254 V CB 1.085 33.020 31.823 0.187 0.000 0.987 254 V HN 1.137 nan 8.190 nan 0.000 0.477 255 G N 4.771 113.656 108.800 0.141 0.000 2.720 255 G HA2 0.209 4.172 3.960 0.005 0.000 0.204 255 G HA3 0.209 4.172 3.960 0.005 0.000 0.204 255 G C 0.312 175.093 174.900 -0.199 0.000 1.113 255 G CA 0.170 45.045 45.100 -0.374 0.000 0.805 255 G HN 0.682 nan 8.290 nan 0.000 0.536 256 K N -0.920 119.457 120.400 -0.038 0.000 2.555 256 K HA 0.648 4.971 4.320 0.005 0.000 0.279 256 K C -1.742 174.863 176.600 0.008 0.000 0.986 256 K CA -0.868 55.429 56.287 0.016 0.000 0.880 256 K CB 2.038 34.541 32.500 0.004 0.000 1.474 256 K HN -0.147 nan 8.250 nan 0.000 0.433 257 V N 2.217 122.117 119.914 -0.023 0.000 2.509 257 V HA 0.314 4.437 4.120 0.005 0.000 0.284 257 V C -0.148 175.741 176.094 -0.342 0.000 1.047 257 V CA -0.843 61.315 62.300 -0.236 0.000 0.952 257 V CB 1.036 32.622 31.823 -0.396 0.000 0.988 257 V HN 0.530 nan 8.190 nan 0.000 0.469 258 L N 4.898 125.925 121.223 -0.328 0.000 2.292 258 L HA 0.562 4.905 4.340 0.005 0.000 0.284 258 L C -0.815 175.861 176.870 -0.325 0.000 1.065 258 L CA -0.006 54.737 54.840 -0.163 0.000 0.806 258 L CB 0.861 42.925 42.059 0.008 0.000 1.175 258 L HN 0.466 nan 8.230 nan 0.000 0.431 259 F N 1.740 121.740 119.950 0.082 0.000 2.561 259 F HA 0.502 5.032 4.527 0.005 0.000 0.321 259 F C 0.032 175.869 175.800 0.062 0.000 1.065 259 F CA -0.854 57.187 58.000 0.068 0.000 0.934 259 F CB 1.945 40.973 39.000 0.047 0.000 1.215 259 F HN 0.318 nan 8.300 nan 0.000 0.471 260 K N 1.886 122.442 120.400 0.260 0.000 2.292 260 K HA 0.447 4.771 4.320 0.005 0.000 0.257 260 K C -1.023 175.658 176.600 0.135 0.000 0.940 260 K CA -0.937 55.441 56.287 0.151 0.000 0.811 260 K CB 1.604 34.160 32.500 0.093 0.000 1.120 260 K HN 0.398 nan 8.250 nan 0.000 0.428 261 Q N 2.417 122.269 119.800 0.086 0.000 2.304 261 Q HA 0.129 4.473 4.340 0.005 0.000 0.260 261 Q C -0.090 175.934 176.000 0.040 0.000 0.965 261 Q CA 0.197 56.030 55.803 0.051 0.000 0.898 261 Q CB 1.638 30.393 28.738 0.028 0.000 1.196 261 Q HN 0.950 nan 8.270 nan 0.000 0.402 262 T N -2.175 112.399 114.554 0.034 0.000 2.807 262 T HA 0.677 5.030 4.350 0.005 0.000 0.277 262 T C 0.872 175.582 174.700 0.016 0.000 1.006 262 T CA -0.181 61.935 62.100 0.027 0.000 1.006 262 T CB 1.140 70.029 68.868 0.034 0.000 1.274 262 T HN 0.379 nan 8.240 nan 0.000 0.569 263 A N 0.842 123.670 122.820 0.014 0.000 1.898 263 A HA 0.111 4.434 4.320 0.005 0.000 0.216 263 A C 2.157 179.748 177.584 0.011 0.000 1.181 263 A CA 1.584 53.627 52.037 0.010 0.000 0.620 263 A CB -1.160 17.846 19.000 0.009 0.000 0.819 263 A HN 1.255 nan 8.150 nan 0.000 0.442 264 S N -0.968 114.743 115.700 0.018 0.000 2.763 264 S HA 0.481 4.955 4.470 0.005 0.000 0.237 264 S C 0.838 175.451 174.600 0.021 0.000 0.966 264 S CA 0.430 58.643 58.200 0.021 0.000 1.017 264 S CB -0.996 62.222 63.200 0.029 0.000 0.780 264 S HN 1.944 nan 8.310 nan 0.000 0.476 265 G N 1.490 110.296 108.800 0.011 0.000 2.549 265 G HA2 -0.015 3.948 3.960 0.005 0.000 0.404 265 G HA3 -0.015 3.948 3.960 0.005 0.000 0.404 265 G C -3.479 171.423 174.900 0.004 0.000 1.292 265 G CA -0.973 44.124 45.100 -0.005 0.000 0.935 265 G HN 0.278 nan 8.290 nan 0.000 0.512 266 P HA 0.324 nan 4.420 nan 0.000 0.271 266 P C -0.553 176.850 177.300 0.172 0.000 1.220 266 P CA 0.248 63.334 63.100 -0.023 0.000 0.768 266 P CB 1.064 32.519 31.700 -0.409 0.000 0.848 267 Q N 2.517 122.486 119.800 0.281 0.000 2.333 267 Q HA 0.586 4.929 4.340 0.005 0.000 0.265 267 Q C -0.776 175.422 176.000 0.330 0.000 0.989 267 Q CA -0.919 55.041 55.803 0.261 0.000 0.842 267 Q CB 1.013 29.834 28.738 0.138 0.000 1.262 267 Q HN 0.515 nan 8.270 nan 0.000 0.451 268 A N 3.208 126.168 122.820 0.234 0.000 2.492 268 A HA 0.291 4.615 4.320 0.005 0.000 0.254 268 A C 0.675 178.239 177.584 -0.034 0.000 1.091 268 A CA 0.018 51.980 52.037 -0.126 0.000 0.768 268 A CB 0.197 19.097 19.000 -0.167 0.000 1.028 268 A HN 0.892 nan 8.150 nan 0.000 0.498 269 V N 0.461 120.355 119.914 -0.033 0.000 3.556 269 V HA 0.651 4.774 4.120 0.005 0.000 0.287 269 V C 0.738 176.944 176.094 0.187 0.000 1.422 269 V CA 0.716 63.072 62.300 0.093 0.000 1.038 269 V CB -0.745 31.162 31.823 0.140 0.000 0.850 269 V HN 1.745 nan 8.190 nan 0.000 0.437 270 G N 0.036 108.862 108.800 0.043 0.000 2.336 270 G HA2 0.525 4.488 3.960 0.005 0.000 0.286 270 G HA3 0.525 4.488 3.960 0.005 0.000 0.286 270 G C -1.379 173.466 174.900 -0.092 0.000 1.269 270 G CA 0.230 45.331 45.100 0.001 0.000 0.873 270 G HN 1.250 nan 8.290 nan 0.000 0.494 271 V N -2.091 117.769 119.914 -0.090 0.000 3.078 271 V HA 0.830 4.953 4.120 0.005 0.000 0.311 271 V C -0.648 175.479 176.094 0.054 0.000 1.138 271 V CA -1.105 61.187 62.300 -0.014 0.000 1.007 271 V CB 1.991 33.842 31.823 0.046 0.000 1.045 271 V HN 1.010 nan 8.190 nan 0.000 0.432 272 N N 1.510 120.266 118.700 0.092 0.000 2.421 272 N HA 0.616 5.359 4.740 0.005 0.000 0.285 272 N C -1.359 174.321 175.510 0.284 0.000 1.027 272 N CA -0.264 52.848 53.050 0.104 0.000 0.918 272 N CB 1.858 40.378 38.487 0.055 0.000 1.152 272 N HN 0.799 nan 8.380 nan 0.000 0.485 273 F N 0.865 120.921 119.950 0.177 0.000 2.643 273 F HA 0.906 5.436 4.527 0.005 0.000 0.314 273 F C 0.152 176.070 175.800 0.196 0.000 1.096 273 F CA -0.501 57.651 58.000 0.252 0.000 0.953 273 F CB 1.364 40.458 39.000 0.155 0.000 1.345 273 F HN 0.619 nan 8.300 nan 0.000 0.468 274 G N 0.374 109.321 108.800 0.245 0.000 2.373 274 G HA2 0.383 4.346 3.960 0.005 0.000 0.250 274 G HA3 0.383 4.346 3.960 0.005 0.000 0.250 274 G C -0.388 174.463 174.900 -0.081 0.000 1.304 274 G CA -0.073 44.990 45.100 -0.062 0.000 0.948 274 G HN 1.428 nan 8.290 nan 0.000 0.474 275 T N -2.300 112.080 114.554 -0.290 0.000 3.041 275 T HA 0.415 4.768 4.350 0.005 0.000 0.276 275 T C 0.321 174.931 174.700 -0.150 0.000 0.948 275 T CA 0.730 62.787 62.100 -0.072 0.000 0.885 275 T CB 0.281 69.170 68.868 0.035 0.000 1.175 275 T HN 0.851 nan 8.240 nan 0.000 0.529 276 N N 0.782 119.179 118.700 -0.504 0.000 2.823 276 N HA 0.149 4.892 4.740 0.005 0.000 0.251 276 N C 0.348 175.623 175.510 -0.392 0.000 1.392 276 N CA -0.410 52.482 53.050 -0.263 0.000 0.864 276 N CB 2.106 40.507 38.487 -0.143 0.000 1.481 276 N HN 0.124 nan 8.380 nan 0.000 0.508 277 K N 0.123 120.468 120.400 -0.093 0.000 2.211 277 K HA -0.050 4.273 4.320 0.005 0.000 0.204 277 K C 1.095 177.602 176.600 -0.155 0.000 1.047 277 K CA 1.844 58.104 56.287 -0.045 0.000 0.935 277 K CB -0.040 32.453 32.500 -0.012 0.000 0.728 277 K HN 0.348 nan 8.250 nan 0.000 0.452 278 A N 1.048 123.760 122.820 -0.179 0.000 2.430 278 A HA 0.275 4.598 4.320 0.005 0.000 0.243 278 A C 0.113 177.533 177.584 -0.275 0.000 1.254 278 A CA -0.355 51.568 52.037 -0.190 0.000 0.914 278 A CB 0.748 19.674 19.000 -0.124 0.000 0.998 278 A HN 0.086 nan 8.150 nan 0.000 0.515 279 V N 2.428 122.121 119.914 -0.368 0.000 2.383 279 V HA 0.343 4.466 4.120 0.005 0.000 0.264 279 V C -1.032 174.661 176.094 -0.667 0.000 1.001 279 V CA -0.367 61.670 62.300 -0.438 0.000 0.828 279 V CB -0.012 31.668 31.823 -0.238 0.000 1.069 279 V HN 0.748 nan 8.190 nan 0.000 0.451 280 N N 1.816 119.952 118.700 -0.940 0.000 2.823 280 N HA 0.788 5.531 4.740 0.005 0.000 0.251 280 N C -1.426 173.348 175.510 -1.226 0.000 1.392 280 N CA -0.702 51.777 53.050 -0.952 0.000 0.864 280 N CB 1.844 39.919 38.487 -0.687 0.000 1.481 280 N HN 0.080 nan 8.380 nan 0.000 0.508 281 F N -1.013 118.518 119.950 -0.699 0.000 2.643 281 F HA 0.515 5.045 4.527 0.005 0.000 0.314 281 F C -0.829 174.645 175.800 -0.543 0.000 1.096 281 F CA -0.773 56.855 58.000 -0.620 0.000 0.953 281 F CB 1.916 40.446 39.000 -0.784 0.000 1.345 281 F HN 0.284 nan 8.300 nan 0.000 0.468 282 D N 0.999 121.364 120.400 -0.059 0.000 2.198 282 D HA 0.586 5.229 4.640 0.005 0.000 0.247 282 D C -1.183 175.003 176.300 -0.189 0.000 1.010 282 D CA -0.259 53.645 54.000 -0.160 0.000 0.880 282 D CB 2.581 43.236 40.800 -0.242 0.000 1.209 282 D HN 0.348 nan 8.370 nan 0.000 0.451 283 V N 2.027 121.733 119.914 -0.348 0.000 2.888 283 V HA 0.589 4.712 4.120 0.005 0.000 0.309 283 V C -1.697 174.066 176.094 -0.552 0.000 1.114 283 V CA -0.604 61.534 62.300 -0.270 0.000 0.940 283 V CB 1.643 33.542 31.823 0.127 0.000 1.021 283 V HN 0.366 nan 8.190 nan 0.000 0.426 284 F N 3.792 123.852 119.950 0.184 0.000 2.538 284 F HA 0.893 5.424 4.527 0.006 0.000 0.325 284 F C 0.498 176.370 175.800 0.120 0.000 1.066 284 F CA -0.369 57.697 58.000 0.111 0.000 0.946 284 F CB 2.124 41.163 39.000 0.065 0.000 1.199 284 F HN 0.668 nan 8.300 nan 0.000 0.473 285 A N 2.019 124.985 122.820 0.243 0.000 2.331 285 A HA 0.455 4.779 4.320 0.005 0.000 0.320 285 A C 0.710 178.332 177.584 0.064 0.000 1.138 285 A CA -0.676 51.443 52.037 0.135 0.000 0.790 285 A CB 1.389 20.431 19.000 0.070 0.000 1.206 285 A HN 0.937 nan 8.150 nan 0.000 0.470 286 K N 1.026 121.434 120.400 0.014 0.000 2.167 286 K HA -0.064 4.259 4.320 0.005 0.000 0.203 286 K C 0.838 177.257 176.600 -0.302 0.000 1.052 286 K CA 1.313 57.533 56.287 -0.111 0.000 0.956 286 K CB -0.100 32.350 32.500 -0.084 0.000 0.735 286 K HN 0.915 nan 8.250 nan 0.000 0.451 287 H N -0.527 118.418 119.070 -0.208 0.000 2.320 287 H HA 0.254 4.813 4.556 0.005 0.000 0.321 287 H C 0.116 175.350 175.328 -0.156 0.000 1.141 287 H CA 0.367 56.262 56.048 -0.255 0.000 1.670 287 H CB 0.671 30.076 29.762 -0.596 0.000 1.515 287 H HN 0.080 nan 8.280 nan 0.000 0.638 288 E N 0.595 120.749 120.200 -0.078 0.000 2.408 288 E HA 0.423 4.776 4.350 0.005 0.000 0.275 288 E C -1.341 175.346 176.600 0.144 0.000 0.935 288 E CA -0.606 55.868 56.400 0.124 0.000 0.775 288 E CB 3.633 33.533 29.700 0.334 0.000 1.277 288 E HN -0.105 nan 8.360 nan 0.000 0.455 289 V N 2.523 122.499 119.914 0.104 0.000 2.398 289 V HA 0.387 4.510 4.120 0.005 0.000 0.286 289 V C -0.588 175.550 176.094 0.074 0.000 1.026 289 V CA -0.581 61.757 62.300 0.063 0.000 0.868 289 V CB 0.962 32.775 31.823 -0.016 0.000 0.982 289 V HN 0.416 nan 8.190 nan 0.000 0.443 290 L N 6.064 127.324 121.223 0.063 0.000 2.325 290 L HA 0.569 4.912 4.340 0.005 0.000 0.281 290 L C -0.596 176.269 176.870 -0.008 0.000 1.004 290 L CA -0.456 54.400 54.840 0.028 0.000 0.823 290 L CB 1.632 43.702 42.059 0.017 0.000 1.236 290 L HN 0.383 nan 8.230 nan 0.000 0.415 291 L N 3.619 124.830 121.223 -0.019 0.000 2.276 291 L HA 0.573 4.917 4.340 0.005 0.000 0.286 291 L C 0.587 177.421 176.870 -0.060 0.000 1.061 291 L CA -0.097 54.726 54.840 -0.028 0.000 0.807 291 L CB 1.439 43.487 42.059 -0.019 0.000 1.177 291 L HN 0.828 nan 8.230 nan 0.000 0.429 292 A N 2.521 125.305 122.820 -0.060 0.000 2.709 292 A HA 0.513 4.836 4.320 0.005 0.000 0.241 292 A C 0.862 178.402 177.584 -0.072 0.000 0.879 292 A CA 0.176 52.163 52.037 -0.083 0.000 1.120 292 A CB 0.397 19.347 19.000 -0.083 0.000 1.226 292 A HN 0.732 nan 8.150 nan 0.000 0.468 293 A N -0.150 122.631 122.820 -0.065 0.000 2.251 293 A HA 0.538 4.862 4.320 0.005 0.000 0.209 293 A C 1.284 178.820 177.584 -0.080 0.000 1.187 293 A CA 0.900 52.898 52.037 -0.065 0.000 0.823 293 A CB -0.589 18.382 19.000 -0.048 0.000 0.846 293 A HN 2.261 nan 8.150 nan 0.000 0.486 294 G N -1.346 107.401 108.800 -0.088 0.000 2.587 294 G HA2 0.064 4.027 3.960 0.005 0.000 0.686 294 G HA3 0.064 4.027 3.960 0.005 0.000 0.686 294 G C 0.564 175.391 174.900 -0.122 0.000 1.236 294 G CA 0.193 45.244 45.100 -0.082 0.000 0.820 294 G HN 1.172 nan 8.290 nan 0.000 0.645 295 S N -0.470 115.164 115.700 -0.111 0.000 2.442 295 S HA 0.171 4.645 4.470 0.005 0.000 0.236 295 S C 2.425 176.913 174.600 -0.188 0.000 1.007 295 S CA 1.778 59.897 58.200 -0.135 0.000 0.965 295 S CB 0.011 63.158 63.200 -0.088 0.000 0.773 295 S HN 2.170 nan 8.310 nan 0.000 0.504 296 A N 0.778 123.459 122.820 -0.232 0.000 2.123 296 A HA 0.358 4.681 4.320 0.005 0.000 0.214 296 A C 1.945 179.218 177.584 -0.519 0.000 1.152 296 A CA 0.584 52.368 52.037 -0.421 0.000 0.728 296 A CB -0.188 18.474 19.000 -0.562 0.000 0.814 296 A HN 0.534 nan 8.150 nan 0.000 0.464 297 I N -1.826 118.528 120.570 -0.359 0.000 3.971 297 I HA 0.035 4.209 4.170 0.005 0.000 0.303 297 I C 2.135 178.197 176.117 -0.091 0.000 1.233 297 I CA 0.834 61.971 61.300 -0.273 0.000 1.346 297 I CB -1.120 36.704 38.000 -0.293 0.000 1.273 297 I HN 0.120 nan 8.210 nan 0.000 0.448 298 S N 2.659 118.299 115.700 -0.100 0.000 2.365 298 S HA -0.097 4.377 4.470 0.005 0.000 0.225 298 S C -0.460 174.109 174.600 -0.051 0.000 1.039 298 S CA 1.862 60.029 58.200 -0.055 0.000 1.033 298 S CB -1.301 61.848 63.200 -0.086 0.000 0.887 298 S HN 0.329 nan 8.310 nan 0.000 0.447 299 P HA -0.058 nan 4.420 nan 0.000 0.217 299 P C 1.393 178.637 177.300 -0.093 0.000 1.150 299 P CA 0.987 64.026 63.100 -0.101 0.000 0.832 299 P CB -0.250 31.360 31.700 -0.149 0.000 0.787 300 L N -1.062 120.100 121.223 -0.102 0.000 2.046 300 L HA -0.134 4.209 4.340 0.005 0.000 0.208 300 L C 2.760 179.587 176.870 -0.072 0.000 1.077 300 L CA 1.339 56.089 54.840 -0.150 0.000 0.747 300 L CB -0.988 41.078 42.059 0.013 0.000 0.896 300 L HN -0.130 nan 8.230 nan 0.000 0.432 301 I N -0.069 120.594 120.570 0.155 0.000 2.208 301 I HA -0.325 3.848 4.170 0.005 0.000 0.245 301 I C 2.539 178.732 176.117 0.126 0.000 1.097 301 I CA 1.417 62.850 61.300 0.223 0.000 1.363 301 I CB -0.288 37.829 38.000 0.196 0.000 1.051 301 I HN 0.235 nan 8.210 nan 0.000 0.413 302 L N 0.334 121.594 121.223 0.063 0.000 2.012 302 L HA -0.233 4.110 4.340 0.005 0.000 0.210 302 L C 2.579 179.469 176.870 0.033 0.000 1.073 302 L CA 1.615 56.496 54.840 0.069 0.000 0.748 302 L CB -0.597 41.477 42.059 0.026 0.000 0.891 302 L HN 0.277 nan 8.230 nan 0.000 0.431 303 E N -0.802 119.362 120.200 -0.060 0.000 2.077 303 E HA -0.233 4.120 4.350 0.005 0.000 0.193 303 E C 2.119 178.653 176.600 -0.110 0.000 0.989 303 E CA 1.278 57.604 56.400 -0.122 0.000 0.800 303 E CB -0.131 29.444 29.700 -0.208 0.000 0.746 303 E HN 0.432 nan 8.360 nan 0.000 0.452 304 Y N 0.760 121.039 120.300 -0.035 0.000 2.333 304 Y HA -0.108 4.444 4.550 0.004 0.000 0.290 304 Y C 2.314 178.197 175.900 -0.028 0.000 1.144 304 Y CA 0.874 58.925 58.100 -0.082 0.000 1.228 304 Y CB -0.055 38.293 38.460 -0.186 0.000 0.985 304 Y HN -0.077 nan 8.280 nan 0.000 0.542 305 S N -1.344 114.466 115.700 0.184 0.000 2.593 305 S HA 0.245 4.718 4.470 0.005 0.000 0.217 305 S C 1.728 176.432 174.600 0.172 0.000 0.966 305 S CA 0.660 58.999 58.200 0.232 0.000 0.914 305 S CB -0.212 63.210 63.200 0.371 0.000 0.776 305 S HN 0.659 nan 8.310 nan 0.000 0.523 306 G N 1.506 110.348 108.800 0.070 0.000 2.141 306 G HA2 -0.212 3.751 3.960 0.005 0.000 0.231 306 G HA3 -0.212 3.751 3.960 0.005 0.000 0.231 306 G C -0.061 174.806 174.900 -0.054 0.000 0.984 306 G CA -0.357 44.741 45.100 -0.003 0.000 0.660 306 G HN 0.507 nan 8.290 nan 0.000 0.525 307 I N 1.108 121.658 120.570 -0.033 0.000 2.328 307 I HA 0.661 4.834 4.170 0.005 0.000 0.287 307 I C 0.803 176.888 176.117 -0.054 0.000 1.012 307 I CA 0.131 61.395 61.300 -0.060 0.000 1.195 307 I CB 1.228 39.206 38.000 -0.038 0.000 1.350 307 I HN 0.478 nan 8.210 nan 0.000 0.464 308 G N 5.425 114.181 108.800 -0.074 0.000 2.327 308 G HA2 0.252 4.215 3.960 0.005 0.000 0.291 308 G HA3 0.252 4.215 3.960 0.005 0.000 0.291 308 G C -1.341 173.495 174.900 -0.107 0.000 1.290 308 G CA -1.095 43.956 45.100 -0.082 0.000 0.857 308 G HN 0.335 nan 8.290 nan 0.000 0.520 309 L N 1.048 122.190 121.223 -0.135 0.000 2.453 309 L HA 0.233 4.576 4.340 0.005 0.000 0.272 309 L C 2.134 178.919 176.870 -0.142 0.000 1.182 309 L CA -0.174 54.574 54.840 -0.153 0.000 0.858 309 L CB 1.133 43.075 42.059 -0.195 0.000 1.120 309 L HN 0.872 nan 8.230 nan 0.000 0.474 310 K N 1.583 121.917 120.400 -0.110 0.000 2.063 310 K HA -0.216 4.107 4.320 0.005 0.000 0.208 310 K C 2.073 178.611 176.600 -0.102 0.000 1.048 310 K CA 1.948 58.179 56.287 -0.093 0.000 0.928 310 K CB 0.021 32.478 32.500 -0.072 0.000 0.713 310 K HN 0.825 nan 8.250 nan 0.000 0.442 311 S N -0.054 115.579 115.700 -0.112 0.000 2.383 311 S HA -0.132 4.341 4.470 0.005 0.000 0.229 311 S C 2.031 176.545 174.600 -0.143 0.000 1.030 311 S CA 1.468 59.602 58.200 -0.110 0.000 1.002 311 S CB -0.677 62.461 63.200 -0.103 0.000 0.829 311 S HN 0.140 nan 8.310 nan 0.000 0.467 312 V N 2.380 122.163 119.914 -0.218 0.000 2.307 312 V HA -0.084 4.039 4.120 0.005 0.000 0.245 312 V C 2.603 178.599 176.094 -0.163 0.000 1.045 312 V CA 1.764 63.905 62.300 -0.265 0.000 1.024 312 V CB -0.885 30.648 31.823 -0.484 0.000 0.651 312 V HN 0.465 nan 8.190 nan 0.000 0.449 313 L N -0.245 120.895 121.223 -0.138 0.000 2.083 313 L HA -0.168 4.175 4.340 0.005 0.000 0.209 313 L C 2.372 179.201 176.870 -0.068 0.000 1.083 313 L CA 1.469 56.253 54.840 -0.094 0.000 0.752 313 L CB -0.826 41.184 42.059 -0.082 0.000 0.899 313 L HN 0.334 nan 8.230 nan 0.000 0.433 314 D N 0.079 120.437 120.400 -0.070 0.000 2.097 314 D HA -0.195 4.449 4.640 0.005 0.000 0.195 314 D C 2.334 178.608 176.300 -0.044 0.000 0.989 314 D CA 1.179 55.149 54.000 -0.051 0.000 0.827 314 D CB -0.196 40.574 40.800 -0.050 0.000 0.966 314 D HN 0.368 nan 8.370 nan 0.000 0.456 315 Q N 0.022 119.790 119.800 -0.054 0.000 2.135 315 Q HA -0.049 4.294 4.340 0.005 0.000 0.204 315 Q C 1.825 177.807 176.000 -0.030 0.000 0.981 315 Q CA 1.408 57.187 55.803 -0.041 0.000 0.856 315 Q CB -0.080 28.629 28.738 -0.049 0.000 0.902 315 Q HN 0.209 nan 8.270 nan 0.000 0.425 316 A N 0.815 123.613 122.820 -0.037 0.000 2.251 316 A HA -0.012 4.311 4.320 0.005 0.000 0.209 316 A C 0.595 178.176 177.584 -0.005 0.000 1.187 316 A CA 0.343 52.370 52.037 -0.017 0.000 0.823 316 A CB -0.010 18.971 19.000 -0.031 0.000 0.846 316 A HN 0.457 nan 8.150 nan 0.000 0.486 317 N N -1.421 117.270 118.700 -0.014 0.000 2.780 317 N HA -0.140 4.603 4.740 0.005 0.000 0.248 317 N C -0.889 174.619 175.510 -0.003 0.000 1.102 317 N CA 0.978 54.023 53.050 -0.009 0.000 0.697 317 N CB -1.800 36.684 38.487 -0.005 0.000 1.028 317 N HN 0.182 nan 8.380 nan 0.000 0.554 318 V N 0.961 120.870 119.914 -0.008 0.000 2.417 318 V HA 0.392 4.515 4.120 0.005 0.000 0.291 318 V C 0.725 176.812 176.094 -0.012 0.000 1.024 318 V CA -0.572 61.728 62.300 0.001 0.000 0.861 318 V CB 1.770 33.597 31.823 0.007 0.000 0.985 318 V HN 0.239 nan 8.190 nan 0.000 0.436 319 T N 4.882 119.433 114.554 -0.006 0.000 2.888 319 T HA 0.109 4.462 4.350 0.005 0.000 0.301 319 T C 0.068 174.753 174.700 -0.024 0.000 1.001 319 T CA 0.260 62.351 62.100 -0.014 0.000 1.147 319 T CB 0.427 69.291 68.868 -0.007 0.000 0.931 319 T HN 0.754 nan 8.240 nan 0.000 0.541 320 Q N 2.581 122.358 119.800 -0.039 0.000 2.304 320 Q HA 0.239 4.583 4.340 0.005 0.000 0.260 320 Q C 0.442 176.402 176.000 -0.067 0.000 0.965 320 Q CA -0.521 55.249 55.803 -0.055 0.000 0.898 320 Q CB 0.602 29.303 28.738 -0.061 0.000 1.196 320 Q HN 0.611 nan 8.270 nan 0.000 0.402 321 L N 5.071 126.237 121.223 -0.096 0.000 2.286 321 L HA 0.365 4.709 4.340 0.005 0.000 0.203 321 L C -0.726 176.056 176.870 -0.147 0.000 1.068 321 L CA 0.835 55.591 54.840 -0.141 0.000 0.811 321 L CB 0.639 42.553 42.059 -0.242 0.000 0.989 321 L HN 0.639 nan 8.230 nan 0.000 0.467 322 L N -0.376 120.763 121.223 -0.140 0.000 2.493 322 L HA 0.417 4.761 4.340 0.005 0.000 0.265 322 L C -1.423 175.393 176.870 -0.091 0.000 0.954 322 L CA -0.429 54.341 54.840 -0.117 0.000 0.844 322 L CB 1.615 43.587 42.059 -0.145 0.000 1.302 322 L HN -0.078 nan 8.230 nan 0.000 0.405 323 D N 5.336 125.691 120.400 -0.076 0.000 2.313 323 D HA 0.453 5.096 4.640 0.005 0.000 0.239 323 D C -1.278 174.977 176.300 -0.074 0.000 1.142 323 D CA 0.073 54.027 54.000 -0.076 0.000 0.847 323 D CB 0.729 41.488 40.800 -0.069 0.000 1.082 323 D HN 0.504 nan 8.370 nan 0.000 0.480 324 L N 4.703 125.873 121.223 -0.088 0.000 2.466 324 L HA 0.320 4.664 4.340 0.005 0.000 0.258 324 L C -2.273 174.502 176.870 -0.157 0.000 0.973 324 L CA -1.896 52.890 54.840 -0.090 0.000 0.826 324 L CB 3.418 45.453 42.059 -0.039 0.000 1.372 324 L HN 0.223 nan 8.230 nan 0.000 0.409 325 P HA 0.074 nan 4.420 nan 0.000 0.225 325 P C -0.248 176.925 177.300 -0.211 0.000 1.768 325 P CA -0.042 62.812 63.100 -0.410 0.000 0.943 325 P CB -0.050 31.107 31.700 -0.906 0.000 1.936 326 V N 0.942 120.789 119.914 -0.113 0.000 2.686 326 V HA 0.347 4.470 4.120 0.005 0.000 0.295 326 V C 1.731 177.812 176.094 -0.022 0.000 1.055 326 V CA 1.243 63.505 62.300 -0.064 0.000 1.050 326 V CB 0.208 32.004 31.823 -0.045 0.000 0.984 326 V HN 0.662 nan 8.190 nan 0.000 0.482 327 G N 3.882 112.625 108.800 -0.096 0.000 2.143 327 G HA2 -0.221 3.742 3.960 0.005 0.000 0.248 327 G HA3 -0.221 3.742 3.960 0.005 0.000 0.248 327 G C -0.042 174.696 174.900 -0.271 0.000 0.991 327 G CA 0.567 45.531 45.100 -0.226 0.000 0.689 327 G HN 1.015 nan 8.290 nan 0.000 0.522 328 I N -5.793 114.722 120.570 -0.091 0.000 3.206 328 I HA 0.834 5.007 4.170 0.005 0.000 0.313 328 I C 0.739 176.904 176.117 0.081 0.000 1.103 328 I CA -0.600 60.698 61.300 -0.002 0.000 0.985 328 I CB 1.804 39.846 38.000 0.070 0.000 1.240 328 I HN 0.019 nan 8.210 nan 0.000 0.464 329 N N 0.347 119.157 118.700 0.184 0.000 2.948 329 N HA -0.208 4.536 4.740 0.005 0.000 0.239 329 N C -0.219 175.271 175.510 -0.033 0.000 0.954 329 N CA 1.249 54.353 53.050 0.091 0.000 0.941 329 N CB -1.045 37.508 38.487 0.111 0.000 1.101 329 N HN 0.838 nan 8.380 nan 0.000 0.579 330 M N 0.937 120.509 119.600 -0.046 0.000 2.239 330 M HA 0.062 4.545 4.480 0.005 0.000 0.348 330 M C -0.559 175.707 176.300 -0.057 0.000 1.239 330 M CA 0.699 55.952 55.300 -0.078 0.000 1.114 330 M CB 0.348 32.874 32.600 -0.124 0.000 1.641 330 M HN 0.103 nan 8.290 nan 0.000 0.453 331 Q N 3.726 123.511 119.800 -0.024 0.000 2.337 331 Q HA 0.304 4.647 4.340 0.005 0.000 0.264 331 Q C -1.554 174.486 176.000 0.067 0.000 1.007 331 Q CA -0.750 55.069 55.803 0.027 0.000 0.727 331 Q CB 1.802 30.585 28.738 0.075 0.000 1.256 331 Q HN 0.616 nan 8.270 nan 0.000 0.467 332 D N 1.363 121.812 120.400 0.082 0.000 2.392 332 D HA 0.329 4.972 4.640 0.005 0.000 0.246 332 D C -0.863 175.601 176.300 0.274 0.000 1.013 332 D CA -0.380 53.733 54.000 0.189 0.000 0.993 332 D CB 1.456 42.414 40.800 0.263 0.000 1.219 332 D HN 0.305 nan 8.370 nan 0.000 0.538 333 Q N -0.504 119.386 119.800 0.150 0.000 2.297 333 Q HA 0.557 4.900 4.340 0.005 0.000 0.268 333 Q C -0.678 175.150 176.000 -0.287 0.000 1.045 333 Q CA -0.929 54.873 55.803 -0.002 0.000 0.861 333 Q CB 1.887 30.587 28.738 -0.064 0.000 1.344 333 Q HN 0.484 nan 8.270 nan 0.000 0.452 334 T N -1.540 112.776 114.554 -0.397 0.000 2.829 334 T HA 0.583 4.936 4.350 0.005 0.000 0.282 334 T C -0.255 174.312 174.700 -0.222 0.000 0.990 334 T CA -0.709 60.999 62.100 -0.652 0.000 1.028 334 T CB 1.283 69.608 68.868 -0.905 0.000 0.951 334 T HN 0.388 nan 8.240 nan 0.000 0.460 335 T N 2.959 117.395 114.554 -0.196 0.000 2.829 335 T HA 0.733 5.086 4.350 0.005 0.000 0.280 335 T C 0.117 174.873 174.700 0.092 0.000 0.999 335 T CA -0.740 61.357 62.100 -0.004 0.000 0.983 335 T CB 1.655 70.419 68.868 -0.173 0.000 0.968 335 T HN 1.006 nan 8.240 nan 0.000 0.446 336 T N -0.471 114.185 114.554 0.171 0.000 2.907 336 T HA 0.798 5.152 4.350 0.005 0.000 0.290 336 T C -0.702 174.132 174.700 0.223 0.000 1.066 336 T CA -0.833 61.396 62.100 0.215 0.000 1.012 336 T CB 1.889 70.918 68.868 0.268 0.000 1.184 336 T HN 0.403 nan 8.240 nan 0.000 0.522 337 T N 0.960 115.671 114.554 0.261 0.000 2.886 337 T HA 0.621 4.974 4.350 0.005 0.000 0.292 337 T C -1.079 173.800 174.700 0.298 0.000 1.012 337 T CA -0.597 61.660 62.100 0.262 0.000 0.982 337 T CB 1.560 70.564 68.868 0.227 0.000 1.018 337 T HN 0.640 nan 8.240 nan 0.000 0.451 338 V N 2.615 122.707 119.914 0.296 0.000 2.409 338 V HA 0.668 4.792 4.120 0.005 0.000 0.290 338 V C -0.246 176.030 176.094 0.303 0.000 1.017 338 V CA -0.573 61.909 62.300 0.303 0.000 0.841 338 V CB 1.680 33.664 31.823 0.269 0.000 1.003 338 V HN 0.881 nan 8.190 nan 0.000 0.426 339 S N 3.321 119.162 115.700 0.234 0.000 2.500 339 S HA 0.826 5.299 4.470 0.005 0.000 0.301 339 S C -0.502 174.201 174.600 0.171 0.000 1.092 339 S CA -0.303 58.005 58.200 0.181 0.000 1.030 339 S CB 1.649 64.928 63.200 0.132 0.000 1.031 339 S HN 0.727 nan 8.310 nan 0.000 0.483 340 S N 2.488 118.287 115.700 0.165 0.000 2.570 340 S HA 0.529 5.002 4.470 0.005 0.000 0.286 340 S C -0.747 173.896 174.600 0.070 0.000 1.099 340 S CA -0.856 57.450 58.200 0.177 0.000 0.913 340 S CB 1.625 65.073 63.200 0.413 0.000 1.085 340 S HN 0.804 nan 8.310 nan 0.000 0.480 341 R N 1.044 121.532 120.500 -0.020 0.000 2.490 341 R HA 0.661 5.005 4.340 0.005 0.000 0.278 341 R C -0.432 175.844 176.300 -0.040 0.000 1.069 341 R CA -0.321 55.750 56.100 -0.049 0.000 1.080 341 R CB 0.440 30.684 30.300 -0.094 0.000 1.030 341 R HN 0.702 nan 8.270 nan 0.000 0.491 342 A N 2.587 125.405 122.820 -0.003 0.000 2.325 342 A HA 0.402 4.725 4.320 0.005 0.000 0.333 342 A C -0.147 177.458 177.584 0.036 0.000 1.155 342 A CA -0.574 51.491 52.037 0.045 0.000 0.814 342 A CB 1.149 20.179 19.000 0.050 0.000 1.206 342 A HN 0.958 nan 8.150 nan 0.000 0.482 343 S N 0.948 116.698 115.700 0.084 0.000 2.598 343 S HA 0.147 4.621 4.470 0.005 0.000 0.256 343 S C 1.337 175.983 174.600 0.078 0.000 1.350 343 S CA 0.155 58.394 58.200 0.063 0.000 0.984 343 S CB 0.380 63.628 63.200 0.079 0.000 0.930 343 S HN 1.475 nan 8.310 nan 0.000 0.577 344 S N 0.899 116.630 115.700 0.052 0.000 2.399 344 S HA -0.094 4.379 4.470 0.005 0.000 0.231 344 S C 2.003 176.648 174.600 0.075 0.000 1.022 344 S CA 0.722 58.949 58.200 0.045 0.000 0.983 344 S CB -1.290 61.926 63.200 0.027 0.000 0.803 344 S HN 1.113 nan 8.310 nan 0.000 0.480 345 A N 1.736 124.632 122.820 0.126 0.000 2.019 345 A HA 0.231 4.554 4.320 0.005 0.000 0.219 345 A C 2.207 179.926 177.584 0.225 0.000 1.164 345 A CA 1.317 53.470 52.037 0.193 0.000 0.644 345 A CB -1.325 17.819 19.000 0.240 0.000 0.805 345 A HN 0.639 nan 8.150 nan 0.000 0.449 346 G N -0.873 108.060 108.800 0.222 0.000 2.920 346 G HA2 0.385 4.349 3.960 0.005 0.000 0.208 346 G HA3 0.385 4.349 3.960 0.005 0.000 0.208 346 G C 0.720 175.575 174.900 -0.075 0.000 1.159 346 G CA 0.546 45.607 45.100 -0.065 0.000 0.784 346 G HN 0.767 nan 8.290 nan 0.000 0.535 347 A N -0.368 122.444 122.820 -0.012 0.000 2.475 347 A HA 0.618 4.942 4.320 0.005 0.000 0.239 347 A C 1.028 178.583 177.584 -0.048 0.000 1.087 347 A CA 0.924 52.944 52.037 -0.027 0.000 0.779 347 A CB -0.161 18.832 19.000 -0.013 0.000 1.036 347 A HN 1.787 nan 8.150 nan 0.000 0.506 348 G N -0.393 108.370 108.800 -0.062 0.000 2.354 348 G HA2 0.415 4.378 3.960 0.005 0.000 0.582 348 G HA3 0.415 4.378 3.960 0.005 0.000 0.582 348 G C -0.685 174.149 174.900 -0.109 0.000 1.316 348 G CA -0.149 44.895 45.100 -0.092 0.000 0.995 348 G HN 1.578 nan 8.290 nan 0.000 0.573 349 Q N -0.517 119.169 119.800 -0.190 0.000 2.180 349 Q HA 0.762 5.105 4.340 0.005 0.000 0.241 349 Q C 0.316 176.290 176.000 -0.044 0.000 0.970 349 Q CA -0.504 55.183 55.803 -0.193 0.000 0.919 349 Q CB 2.111 30.606 28.738 -0.405 0.000 1.222 349 Q HN 2.610 nan 8.270 nan 0.000 0.482 350 G N 0.555 109.379 108.800 0.040 0.000 2.397 350 G HA2 0.072 4.035 3.960 0.005 0.000 0.453 350 G HA3 0.072 4.035 3.960 0.005 0.000 0.453 350 G C -1.710 173.232 174.900 0.070 0.000 1.579 350 G CA -0.918 44.305 45.100 0.205 0.000 0.906 350 G HN 0.561 nan 8.290 nan 0.000 0.675 351 Q N -0.562 119.268 119.800 0.050 0.000 2.377 351 Q HA 0.823 5.166 4.340 0.005 0.000 0.271 351 Q C -0.170 175.699 176.000 -0.219 0.000 1.077 351 Q CA -0.663 55.080 55.803 -0.099 0.000 0.820 351 Q CB 2.625 31.322 28.738 -0.069 0.000 1.347 351 Q HN 1.507 nan 8.270 nan 0.000 0.444 352 A N 1.221 123.840 122.820 -0.335 0.000 2.515 352 A HA 0.759 5.082 4.320 0.005 0.000 0.298 352 A C -1.351 176.016 177.584 -0.362 0.000 1.059 352 A CA -0.530 51.337 52.037 -0.282 0.000 0.698 352 A CB 1.708 20.599 19.000 -0.181 0.000 1.289 352 A HN 0.409 nan 8.150 nan 0.000 0.404 353 V N 2.169 121.957 119.914 -0.210 0.000 2.540 353 V HA 0.514 4.637 4.120 0.005 0.000 0.302 353 V C -1.186 174.926 176.094 0.030 0.000 1.035 353 V CA -0.474 61.705 62.300 -0.202 0.000 0.873 353 V CB 1.612 33.338 31.823 -0.163 0.000 0.992 353 V HN 0.783 nan 8.190 nan 0.000 0.428 354 F N 5.759 125.550 119.950 -0.266 0.000 2.388 354 F HA 0.597 5.128 4.527 0.005 0.000 0.358 354 F C -0.788 174.763 175.800 -0.415 0.000 1.122 354 F CA -2.068 55.812 58.000 -0.199 0.000 1.056 354 F CB 0.995 39.898 39.000 -0.161 0.000 1.155 354 F HN 0.346 nan 8.300 nan 0.000 0.461 355 F N 5.419 125.424 119.950 0.092 0.000 2.351 355 F HA 0.504 5.034 4.527 0.006 0.000 0.362 355 F C 0.576 176.208 175.800 -0.280 0.000 1.131 355 F CA -0.613 57.211 58.000 -0.293 0.000 1.187 355 F CB 0.286 38.977 39.000 -0.516 0.000 1.434 355 F HN 0.581 nan 8.300 nan 0.000 0.553 356 A N 3.986 126.500 122.820 -0.511 0.000 2.328 356 A HA 0.461 4.785 4.320 0.005 0.000 0.284 356 A C 0.342 177.829 177.584 -0.161 0.000 1.160 356 A CA -0.736 50.916 52.037 -0.641 0.000 0.818 356 A CB 0.174 18.472 19.000 -1.170 0.000 1.087 356 A HN 0.687 nan 8.150 nan 0.000 0.504 357 N N 1.390 120.088 118.700 -0.004 0.000 2.374 357 N HA 0.140 4.883 4.740 0.005 0.000 0.284 357 N C 0.655 176.291 175.510 0.209 0.000 1.280 357 N CA -0.367 52.767 53.050 0.140 0.000 0.963 357 N CB -0.231 38.348 38.487 0.154 0.000 1.141 357 N HN 0.454 nan 8.380 nan 0.000 0.565 358 F N 0.056 120.085 119.950 0.132 0.000 2.069 358 F HA -0.168 4.362 4.527 0.005 0.000 0.298 358 F C 2.012 177.917 175.800 0.175 0.000 1.113 358 F CA 2.236 60.304 58.000 0.114 0.000 1.214 358 F CB -0.779 38.270 39.000 0.082 0.000 0.978 358 F HN 0.485 nan 8.300 nan 0.000 0.474 359 T N -0.105 114.576 114.554 0.212 0.000 2.821 359 T HA -0.162 4.191 4.350 0.005 0.000 0.267 359 T C 1.675 176.385 174.700 0.016 0.000 1.046 359 T CA 1.645 63.798 62.100 0.087 0.000 1.139 359 T CB -0.347 68.631 68.868 0.183 0.000 0.871 359 T HN 0.373 nan 8.240 nan 0.000 0.454 360 E N 0.606 120.826 120.200 0.033 0.000 2.110 360 E HA -0.093 4.260 4.350 0.005 0.000 0.193 360 E C 2.384 178.909 176.600 -0.125 0.000 0.988 360 E CA 1.340 57.744 56.400 0.006 0.000 0.804 360 E CB -0.162 29.581 29.700 0.071 0.000 0.745 360 E HN 0.385 nan 8.360 nan 0.000 0.458 361 T N 0.316 114.745 114.554 -0.209 0.000 2.732 361 T HA -0.086 4.268 4.350 0.005 0.000 0.261 361 T C 1.393 175.822 174.700 -0.451 0.000 1.040 361 T CA 0.965 62.836 62.100 -0.381 0.000 1.145 361 T CB -0.275 68.390 68.868 -0.338 0.000 0.866 361 T HN 0.069 nan 8.240 nan 0.000 0.427 362 F N 1.351 121.136 119.950 -0.274 0.000 2.456 362 F HA 0.240 4.771 4.527 0.006 0.000 0.298 362 F C 2.125 177.842 175.800 -0.138 0.000 1.104 362 F CA 0.330 58.179 58.000 -0.252 0.000 1.435 362 F CB -1.019 37.710 39.000 -0.451 0.000 1.078 362 F HN 0.374 nan 8.300 nan 0.000 0.546 363 G N 0.774 109.588 108.800 0.022 0.000 2.660 363 G HA2 -0.420 3.544 3.960 0.005 0.000 0.321 363 G HA3 -0.420 3.544 3.960 0.005 0.000 0.321 363 G C 0.989 175.926 174.900 0.060 0.000 1.246 363 G CA 0.748 45.864 45.100 0.027 0.000 1.000 363 G HN 0.240 nan 8.290 nan 0.000 0.550 364 D N -0.610 119.831 120.400 0.069 0.000 2.309 364 D HA -0.017 4.626 4.640 0.005 0.000 0.212 364 D C 1.756 178.119 176.300 0.104 0.000 0.968 364 D CA 1.345 55.389 54.000 0.074 0.000 0.882 364 D CB -0.043 40.799 40.800 0.070 0.000 0.918 364 D HN 0.398 nan 8.370 nan 0.000 0.503 365 Y N 0.833 121.142 120.300 0.014 0.000 2.466 365 Y HA 0.255 4.809 4.550 0.006 0.000 0.272 365 Y C 1.986 177.822 175.900 -0.105 0.000 1.169 365 Y CA -0.161 57.932 58.100 -0.012 0.000 1.285 365 Y CB 0.027 38.514 38.460 0.045 0.000 1.078 365 Y HN -0.092 nan 8.280 nan 0.000 0.523 366 A N 1.213 124.007 122.820 -0.044 0.000 1.884 366 A HA -0.209 4.114 4.320 0.005 0.000 0.219 366 A C -0.092 177.436 177.584 -0.093 0.000 1.197 366 A CA 2.068 54.023 52.037 -0.136 0.000 0.637 366 A CB -1.831 17.172 19.000 0.004 0.000 0.827 366 A HN 0.370 nan 8.150 nan 0.000 0.450 367 P HA -0.173 nan 4.420 nan 0.000 0.215 367 P C 1.384 178.560 177.300 -0.208 0.000 1.157 367 P CA 1.716 64.755 63.100 -0.102 0.000 0.874 367 P CB -0.138 31.502 31.700 -0.100 0.000 0.790 368 Q N -0.622 118.912 119.800 -0.442 0.000 2.084 368 Q HA -0.100 4.243 4.340 0.005 0.000 0.202 368 Q C 2.299 178.038 176.000 -0.433 0.000 0.978 368 Q CA 2.020 57.459 55.803 -0.606 0.000 0.844 368 Q CB -1.194 26.715 28.738 -1.382 0.000 0.898 368 Q HN 0.169 nan 8.270 nan 0.000 0.426 369 A N 0.761 123.294 122.820 -0.478 0.000 1.902 369 A HA -0.212 4.111 4.320 0.005 0.000 0.217 369 A C 2.048 179.715 177.584 0.138 0.000 1.181 369 A CA 1.578 53.479 52.037 -0.226 0.000 0.623 369 A CB -0.517 17.800 19.000 -1.138 0.000 0.818 369 A HN 0.267 nan 8.150 nan 0.000 0.443 370 R N -0.363 120.245 120.500 0.179 0.000 2.081 370 R HA -0.173 4.171 4.340 0.005 0.000 0.235 370 R C 1.371 177.617 176.300 -0.091 0.000 1.131 370 R CA 1.821 57.947 56.100 0.043 0.000 0.960 370 R CB -0.377 29.945 30.300 0.036 0.000 0.856 370 R HN 0.440 nan 8.270 nan 0.000 0.436 371 D N 0.760 121.103 120.400 -0.096 0.000 2.123 371 D HA -0.179 4.464 4.640 0.005 0.000 0.196 371 D C 2.017 178.229 176.300 -0.147 0.000 0.992 371 D CA 1.155 55.082 54.000 -0.122 0.000 0.833 371 D CB -0.227 40.503 40.800 -0.117 0.000 0.954 371 D HN 0.271 nan 8.370 nan 0.000 0.455 372 L N 0.250 121.418 121.223 -0.091 0.000 2.012 372 L HA -0.170 4.174 4.340 0.005 0.000 0.210 372 L C 2.625 179.262 176.870 -0.388 0.000 1.073 372 L CA 0.776 55.552 54.840 -0.108 0.000 0.748 372 L CB -0.401 41.810 42.059 0.252 0.000 0.891 372 L HN 0.059 nan 8.230 nan 0.000 0.431 373 L N -0.458 120.557 121.223 -0.347 0.000 2.083 373 L HA -0.228 4.116 4.340 0.005 0.000 0.209 373 L C 1.989 178.610 176.870 -0.416 0.000 1.083 373 L CA 1.593 56.125 54.840 -0.513 0.000 0.752 373 L CB -0.537 41.239 42.059 -0.470 0.000 0.899 373 L HN 0.399 nan 8.230 nan 0.000 0.433 374 N N -1.470 117.046 118.700 -0.307 0.000 2.409 374 N HA -0.110 4.633 4.740 0.005 0.000 0.179 374 N C 1.465 176.823 175.510 -0.253 0.000 1.032 374 N CA 1.387 54.292 53.050 -0.241 0.000 0.898 374 N CB 0.232 38.611 38.487 -0.179 0.000 0.971 374 N HN 0.399 nan 8.380 nan 0.000 0.441 375 T N -3.046 111.320 114.554 -0.313 0.000 2.959 375 T HA 0.232 4.585 4.350 0.005 0.000 0.254 375 T C 1.284 175.735 174.700 -0.414 0.000 1.003 375 T CA -0.112 61.812 62.100 -0.293 0.000 0.950 375 T CB 0.376 69.111 68.868 -0.221 0.000 1.090 375 T HN -0.133 nan 8.240 nan 0.000 0.503 376 K N 1.101 121.072 120.400 -0.716 0.000 2.358 376 K HA 0.422 4.745 4.320 0.005 0.000 0.197 376 K C 1.835 177.770 176.600 -1.109 0.000 1.025 376 K CA -0.129 55.537 56.287 -1.036 0.000 1.104 376 K CB 0.078 31.616 32.500 -1.603 0.000 0.855 376 K HN 0.353 nan 8.250 nan 0.000 0.531 377 L N 1.183 121.974 121.223 -0.721 0.000 1.990 377 L HA -0.270 4.073 4.340 0.005 0.000 0.213 377 L C 1.778 178.670 176.870 0.036 0.000 1.072 377 L CA 1.626 56.335 54.840 -0.219 0.000 0.755 377 L CB -0.560 41.467 42.059 -0.053 0.000 0.889 377 L HN 0.214 nan 8.230 nan 0.000 0.432 378 D N -0.491 119.872 120.400 -0.062 0.000 2.104 378 D HA -0.247 4.396 4.640 0.005 0.000 0.194 378 D C 2.126 178.449 176.300 0.038 0.000 0.994 378 D CA 1.407 55.407 54.000 -0.000 0.000 0.830 378 D CB -0.114 40.660 40.800 -0.043 0.000 0.959 378 D HN 0.431 nan 8.370 nan 0.000 0.452 379 Q N -0.280 119.496 119.800 -0.039 0.000 2.050 379 Q HA -0.169 4.174 4.340 0.005 0.000 0.202 379 Q C 2.154 178.299 176.000 0.242 0.000 0.980 379 Q CA 1.256 57.083 55.803 0.041 0.000 0.840 379 Q CB -0.050 28.665 28.738 -0.038 0.000 0.898 379 Q HN 0.279 nan 8.270 nan 0.000 0.424 380 W N 0.117 121.495 121.300 0.131 0.000 2.338 380 W HA -0.078 4.587 4.660 0.008 0.000 0.304 380 W C 2.419 179.151 176.519 0.356 0.000 1.212 380 W CA 1.049 58.524 57.345 0.217 0.000 1.264 380 W CB -1.187 28.361 29.460 0.148 0.000 1.142 380 W HN 0.350 nan 8.180 nan 0.000 0.512 381 A N 0.377 123.560 122.820 0.604 0.000 1.877 381 A HA -0.227 4.097 4.320 0.005 0.000 0.216 381 A C 1.898 179.595 177.584 0.188 0.000 1.186 381 A CA 1.961 54.161 52.037 0.271 0.000 0.620 381 A CB -0.809 18.218 19.000 0.046 0.000 0.822 381 A HN 0.382 nan 8.150 nan 0.000 0.443 382 E N -0.222 120.081 120.200 0.171 0.000 2.051 382 E HA -0.207 4.147 4.350 0.005 0.000 0.192 382 E C 2.001 178.689 176.600 0.147 0.000 0.991 382 E CA 1.442 57.916 56.400 0.124 0.000 0.799 382 E CB -0.215 29.541 29.700 0.093 0.000 0.748 382 E HN 0.742 nan 8.360 nan 0.000 0.449 383 E N 0.108 120.426 120.200 0.196 0.000 2.110 383 E HA -0.132 4.221 4.350 0.005 0.000 0.193 383 E C 2.079 178.788 176.600 0.183 0.000 0.988 383 E CA 1.383 57.894 56.400 0.186 0.000 0.804 383 E CB -0.015 29.818 29.700 0.221 0.000 0.745 383 E HN 0.169 nan 8.360 nan 0.000 0.458 384 T N 0.576 115.267 114.554 0.229 0.000 2.777 384 T HA -0.103 4.250 4.350 0.005 0.000 0.266 384 T C 2.076 176.883 174.700 0.180 0.000 1.040 384 T CA 0.854 63.081 62.100 0.211 0.000 1.141 384 T CB -0.103 68.927 68.868 0.270 0.000 0.868 384 T HN -0.020 nan 8.240 nan 0.000 0.444 385 V N 1.663 121.680 119.914 0.172 0.000 2.358 385 V HA -0.117 4.006 4.120 0.005 0.000 0.246 385 V C 2.881 179.042 176.094 0.111 0.000 1.047 385 V CA 1.559 63.951 62.300 0.153 0.000 1.035 385 V CB -1.138 30.758 31.823 0.121 0.000 0.658 385 V HN 0.512 nan 8.190 nan 0.000 0.452 386 A N 1.356 124.237 122.820 0.102 0.000 1.940 386 A HA -0.239 4.085 4.320 0.005 0.000 0.219 386 A C 2.234 179.866 177.584 0.079 0.000 1.176 386 A CA 1.989 54.074 52.037 0.080 0.000 0.631 386 A CB -0.493 18.555 19.000 0.080 0.000 0.814 386 A HN 0.725 nan 8.150 nan 0.000 0.446 387 R N -1.218 119.338 120.500 0.095 0.000 2.320 387 R HA 0.338 4.681 4.340 0.005 0.000 0.211 387 R C 1.022 177.374 176.300 0.087 0.000 0.931 387 R CA 0.773 56.924 56.100 0.086 0.000 1.071 387 R CB -0.577 29.777 30.300 0.090 0.000 1.025 387 R HN 0.786 nan 8.270 nan 0.000 0.495 388 G N -0.187 108.671 108.800 0.096 0.000 2.141 388 G HA2 -0.264 3.699 3.960 0.005 0.000 0.242 388 G HA3 -0.264 3.699 3.960 0.005 0.000 0.242 388 G C 0.714 175.691 174.900 0.129 0.000 0.982 388 G CA -0.030 45.132 45.100 0.103 0.000 0.662 388 G HN 0.520 nan 8.290 nan 0.000 0.527 389 G N -1.183 107.702 108.800 0.142 0.000 2.572 389 G HA2 0.415 4.378 3.960 0.005 0.000 0.216 389 G HA3 0.415 4.378 3.960 0.005 0.000 0.216 389 G C 0.338 175.406 174.900 0.281 0.000 1.133 389 G CA 1.143 46.336 45.100 0.154 0.000 0.791 389 G HN 0.847 nan 8.290 nan 0.000 0.538 390 F N -1.507 118.482 119.950 0.065 0.000 2.831 390 F HA 0.432 4.962 4.527 0.005 0.000 0.318 390 F C 0.355 176.259 175.800 0.174 0.000 1.174 390 F CA -1.254 56.810 58.000 0.108 0.000 0.918 390 F CB 1.060 40.096 39.000 0.060 0.000 1.364 390 F HN 0.046 nan 8.300 nan 0.000 0.475 391 H N -0.200 118.516 119.070 -0.591 0.000 3.241 391 H HA 0.353 4.912 4.556 0.006 0.000 0.260 391 H C -0.736 174.439 175.328 -0.256 0.000 1.084 391 H CA 0.055 55.893 56.048 -0.350 0.000 1.203 391 H CB 0.130 29.656 29.762 -0.394 0.000 1.524 391 H HN 0.294 nan 8.280 nan 0.000 0.521 392 N N 1.442 119.761 118.700 -0.636 0.000 2.540 392 N HA 0.160 4.904 4.740 0.005 0.000 0.275 392 N C 0.748 176.252 175.510 -0.010 0.000 1.053 392 N CA -0.254 52.554 53.050 -0.403 0.000 0.876 392 N CB 1.997 40.066 38.487 -0.697 0.000 1.284 392 N HN -0.085 nan 8.380 nan 0.000 0.518 393 V N 2.798 122.704 119.914 -0.014 0.000 2.332 393 V HA -0.221 3.902 4.120 0.005 0.000 0.248 393 V C 1.996 178.076 176.094 -0.023 0.000 1.055 393 V CA 2.293 64.599 62.300 0.011 0.000 1.038 393 V CB -0.671 31.154 31.823 0.004 0.000 0.651 393 V HN 0.691 nan 8.190 nan 0.000 0.450 394 T N 0.359 114.891 114.554 -0.036 0.000 2.746 394 T HA -0.169 4.184 4.350 0.005 0.000 0.267 394 T C 2.044 176.719 174.700 -0.042 0.000 1.039 394 T CA 1.653 63.726 62.100 -0.045 0.000 1.142 394 T CB -0.442 68.396 68.868 -0.050 0.000 0.866 394 T HN 0.581 nan 8.240 nan 0.000 0.444 395 A N 1.134 123.956 122.820 0.002 0.000 1.930 395 A HA 0.034 4.358 4.320 0.005 0.000 0.217 395 A C 2.226 179.794 177.584 -0.026 0.000 1.175 395 A CA 1.091 53.162 52.037 0.057 0.000 0.627 395 A CB -0.737 18.385 19.000 0.204 0.000 0.815 395 A HN 0.390 nan 8.150 nan 0.000 0.443 396 L N 0.029 121.211 121.223 -0.067 0.000 2.093 396 L HA -0.085 4.258 4.340 0.005 0.000 0.208 396 L C 2.215 178.766 176.870 -0.533 0.000 1.085 396 L CA 2.413 56.967 54.840 -0.476 0.000 0.755 396 L CB -0.552 41.231 42.059 -0.460 0.000 0.904 396 L HN 0.449 nan 8.230 nan 0.000 0.435 397 K N -1.135 119.091 120.400 -0.289 0.000 2.152 397 K HA -0.140 4.183 4.320 0.005 0.000 0.206 397 K C 1.868 178.400 176.600 -0.114 0.000 1.048 397 K CA 1.542 57.733 56.287 -0.159 0.000 0.933 397 K CB -0.026 32.437 32.500 -0.062 0.000 0.721 397 K HN 0.302 nan 8.250 nan 0.000 0.447 398 V N 1.511 121.339 119.914 -0.145 0.000 2.295 398 V HA -0.275 3.848 4.120 0.005 0.000 0.246 398 V C 2.296 178.272 176.094 -0.197 0.000 1.049 398 V CA 1.828 64.032 62.300 -0.160 0.000 1.024 398 V CB -0.485 31.234 31.823 -0.174 0.000 0.648 398 V HN 0.434 nan 8.190 nan 0.000 0.447 399 Q N -1.325 118.347 119.800 -0.215 0.000 2.084 399 Q HA -0.206 4.137 4.340 0.005 0.000 0.202 399 Q C 2.318 178.149 176.000 -0.282 0.000 0.978 399 Q CA 1.844 57.486 55.803 -0.269 0.000 0.844 399 Q CB -0.257 28.236 28.738 -0.408 0.000 0.898 399 Q HN 0.622 nan 8.270 nan 0.000 0.426 400 Y N 1.336 121.501 120.300 -0.225 0.000 2.181 400 Y HA -0.165 4.388 4.550 0.005 0.000 0.288 400 Y C 2.033 177.963 175.900 0.049 0.000 1.146 400 Y CA 0.959 59.077 58.100 0.030 0.000 1.164 400 Y CB -0.485 38.105 38.460 0.216 0.000 0.982 400 Y HN 0.218 nan 8.280 nan 0.000 0.515 401 E N -0.342 119.926 120.200 0.114 0.000 2.110 401 E HA -0.220 4.133 4.350 0.005 0.000 0.193 401 E C 1.997 178.572 176.600 -0.042 0.000 0.988 401 E CA 1.084 57.499 56.400 0.024 0.000 0.804 401 E CB -0.225 29.459 29.700 -0.027 0.000 0.745 401 E HN 0.339 nan 8.360 nan 0.000 0.458 402 N N 0.182 118.796 118.700 -0.143 0.000 2.043 402 N HA -0.209 4.535 4.740 0.005 0.000 0.193 402 N C 1.626 176.859 175.510 -0.462 0.000 1.037 402 N CA 1.380 54.269 53.050 -0.269 0.000 0.851 402 N CB -0.209 38.093 38.487 -0.309 0.000 1.027 402 N HN 0.110 nan 8.380 nan 0.000 0.422 403 Y N 1.080 121.018 120.300 -0.604 0.000 2.165 403 Y HA -0.080 4.473 4.550 0.005 0.000 0.286 403 Y C 2.639 178.496 175.900 -0.071 0.000 1.155 403 Y CA 1.108 58.885 58.100 -0.538 0.000 1.164 403 Y CB -0.965 37.203 38.460 -0.488 0.000 0.978 403 Y HN 0.187 nan 8.280 nan 0.000 0.513 404 R N 0.403 121.028 120.500 0.208 0.000 2.091 404 R HA -0.188 4.156 4.340 0.005 0.000 0.238 404 R C 1.935 178.265 176.300 0.050 0.000 1.136 404 R CA 1.700 57.863 56.100 0.106 0.000 0.959 404 R CB -0.129 30.183 30.300 0.020 0.000 0.856 404 R HN 0.251 nan 8.270 nan 0.000 0.437 405 N N 0.024 118.758 118.700 0.058 0.000 2.069 405 N HA -0.200 4.544 4.740 0.005 0.000 0.191 405 N C 1.333 176.993 175.510 0.250 0.000 1.031 405 N CA 1.467 54.580 53.050 0.106 0.000 0.852 405 N CB -0.513 38.040 38.487 0.110 0.000 1.018 405 N HN 0.304 nan 8.380 nan 0.000 0.423 406 W N 1.689 123.044 121.300 0.092 0.000 2.333 406 W HA -0.000 4.662 4.660 0.005 0.000 0.316 406 W C 2.282 178.833 176.519 0.054 0.000 1.215 406 W CA 0.373 57.764 57.345 0.077 0.000 1.278 406 W CB -1.210 28.314 29.460 0.108 0.000 1.154 406 W HN 0.066 nan 8.180 nan 0.000 0.486 407 L N -0.751 120.661 121.223 0.314 0.000 2.027 407 L HA -0.191 4.152 4.340 0.005 0.000 0.206 407 L C 2.372 179.226 176.870 -0.027 0.000 1.074 407 L CA 1.204 56.142 54.840 0.163 0.000 0.745 407 L CB -1.087 41.029 42.059 0.096 0.000 0.898 407 L HN -0.051 nan 8.230 nan 0.000 0.433 408 L N -1.153 119.990 121.223 -0.133 0.000 2.298 408 L HA -0.015 4.328 4.340 0.005 0.000 0.209 408 L C 1.556 178.389 176.870 -0.062 0.000 1.084 408 L CA 0.498 55.211 54.840 -0.212 0.000 0.816 408 L CB -0.201 41.686 42.059 -0.286 0.000 0.967 408 L HN 0.237 nan 8.230 nan 0.000 0.460 409 D N -0.978 119.424 120.400 0.002 0.000 2.423 409 D HA -0.015 4.628 4.640 0.005 0.000 0.212 409 D C 1.423 177.744 176.300 0.036 0.000 1.060 409 D CA 0.478 54.489 54.000 0.017 0.000 0.872 409 D CB 0.483 41.296 40.800 0.023 0.000 1.012 409 D HN 0.152 nan 8.370 nan 0.000 0.503 410 E N 0.754 120.997 120.200 0.072 0.000 2.538 410 E HA 0.018 4.371 4.350 0.005 0.000 0.207 410 E C -0.265 176.374 176.600 0.065 0.000 1.002 410 E CA -0.007 56.416 56.400 0.038 0.000 0.952 410 E CB 0.643 30.365 29.700 0.037 0.000 1.031 410 E HN 0.037 nan 8.360 nan 0.000 0.476 411 D N 0.361 120.830 120.400 0.115 0.000 2.772 411 D HA -0.161 4.482 4.640 0.005 0.000 0.233 411 D C -0.764 175.656 176.300 0.201 0.000 1.143 411 D CA 0.244 54.348 54.000 0.174 0.000 0.700 411 D CB -1.288 39.637 40.800 0.209 0.000 1.076 411 D HN -0.066 nan 8.370 nan 0.000 0.430 412 V N 0.319 120.321 119.914 0.148 0.000 2.732 412 V HA 0.604 4.727 4.120 0.005 0.000 0.297 412 V C 1.321 177.453 176.094 0.063 0.000 1.060 412 V CA -0.275 62.053 62.300 0.048 0.000 1.038 412 V CB 1.340 33.163 31.823 0.000 0.000 1.003 412 V HN 0.484 nan 8.190 nan 0.000 0.481 413 A N 3.812 126.584 122.820 -0.080 0.000 2.524 413 A HA 0.236 4.560 4.320 0.005 0.000 0.250 413 A C 0.392 178.038 177.584 0.103 0.000 1.078 413 A CA 0.100 52.119 52.037 -0.030 0.000 0.761 413 A CB -0.261 18.633 19.000 -0.177 0.000 1.012 413 A HN 0.856 nan 8.150 nan 0.000 0.500 414 F N 2.671 122.617 119.950 -0.007 0.000 2.437 414 F HA 0.505 5.036 4.527 0.007 0.000 0.288 414 F C 0.959 176.722 175.800 -0.061 0.000 1.085 414 F CA 0.527 58.553 58.000 0.045 0.000 1.430 414 F CB 0.017 39.100 39.000 0.138 0.000 1.120 414 F HN 0.641 nan 8.300 nan 0.000 0.556 415 A N 0.458 123.073 122.820 -0.342 0.000 2.435 415 A HA 0.547 4.870 4.320 0.005 0.000 0.304 415 A C -1.106 176.153 177.584 -0.541 0.000 1.064 415 A CA -0.576 51.115 52.037 -0.577 0.000 0.727 415 A CB 0.970 19.586 19.000 -0.639 0.000 1.284 415 A HN 0.275 nan 8.150 nan 0.000 0.415 416 E N 1.406 121.142 120.200 -0.774 0.000 2.158 416 E HA 0.559 4.913 4.350 0.005 0.000 0.271 416 E C -1.842 174.169 176.600 -0.982 0.000 0.911 416 E CA -0.568 55.239 56.400 -0.988 0.000 0.767 416 E CB 0.953 29.901 29.700 -1.252 0.000 1.120 416 E HN 0.453 nan 8.360 nan 0.000 0.405 417 L N 5.468 126.296 121.223 -0.660 0.000 2.294 417 L HA 0.368 4.711 4.340 0.005 0.000 0.283 417 L C -0.912 175.909 176.870 -0.081 0.000 1.015 417 L CA -0.356 54.278 54.840 -0.343 0.000 0.831 417 L CB 0.802 42.661 42.059 -0.334 0.000 1.217 417 L HN 0.526 nan 8.230 nan 0.000 0.420 418 F N 4.890 124.757 119.950 -0.139 0.000 2.371 418 F HA 0.535 5.067 4.527 0.008 0.000 0.363 418 F C 0.056 175.929 175.800 0.122 0.000 1.122 418 F CA -0.521 57.473 58.000 -0.010 0.000 1.129 418 F CB 0.946 39.984 39.000 0.063 0.000 1.173 418 F HN 0.395 nan 8.300 nan 0.000 0.489 419 M N 6.486 126.015 119.600 -0.119 0.000 2.180 419 M HA 0.313 4.796 4.480 0.005 0.000 0.350 419 M C -1.315 174.898 176.300 -0.144 0.000 1.125 419 M CA -0.293 54.858 55.300 -0.248 0.000 1.031 419 M CB 0.593 32.922 32.600 -0.451 0.000 1.623 419 M HN 0.511 nan 8.290 nan 0.000 0.451 420 D N 2.539 122.919 120.400 -0.034 0.000 2.269 420 D HA 0.418 5.061 4.640 0.005 0.000 0.244 420 D C 0.169 176.430 176.300 -0.064 0.000 0.992 420 D CA 0.061 54.086 54.000 0.042 0.000 0.894 420 D CB 2.289 43.178 40.800 0.149 0.000 1.248 420 D HN 0.736 nan 8.370 nan 0.000 0.468 421 T N -2.075 112.455 114.554 -0.040 0.000 2.818 421 T HA 0.086 4.439 4.350 0.005 0.000 0.177 421 T C 0.139 174.819 174.700 -0.034 0.000 0.760 421 T CA -0.326 61.736 62.100 -0.063 0.000 1.490 421 T CB 0.157 68.981 68.868 -0.073 0.000 2.555 421 T HN 0.432 nan 8.240 nan 0.000 0.410 422 E N 1.612 121.789 120.200 -0.038 0.000 2.360 422 E HA -0.210 4.143 4.350 0.005 0.000 0.238 422 E C 0.945 177.529 176.600 -0.027 0.000 1.186 422 E CA 0.894 57.274 56.400 -0.034 0.000 0.719 422 E CB -2.011 27.678 29.700 -0.019 0.000 1.236 422 E HN 1.360 nan 8.360 nan 0.000 0.386 423 G N -0.776 108.006 108.800 -0.030 0.000 2.213 423 G HA2 -0.300 3.663 3.960 0.005 0.000 0.236 423 G HA3 -0.300 3.663 3.960 0.005 0.000 0.236 423 G C 0.326 175.219 174.900 -0.013 0.000 0.991 423 G CA 0.628 45.717 45.100 -0.019 0.000 0.629 423 G HN 0.304 nan 8.290 nan 0.000 0.517 424 K N -0.820 119.570 120.400 -0.017 0.000 2.378 424 K HA 0.803 5.126 4.320 0.005 0.000 0.244 424 K C -0.717 175.863 176.600 -0.034 0.000 1.039 424 K CA -1.055 55.226 56.287 -0.010 0.000 0.863 424 K CB 1.830 34.330 32.500 -0.001 0.000 1.326 424 K HN 0.060 nan 8.250 nan 0.000 0.460 425 I N 1.849 122.405 120.570 -0.023 0.000 2.621 425 I HA 0.165 4.338 4.170 0.005 0.000 0.276 425 I C -0.672 175.359 176.117 -0.143 0.000 1.118 425 I CA -0.394 60.842 61.300 -0.106 0.000 1.159 425 I CB 0.798 38.811 38.000 0.022 0.000 1.357 425 I HN 0.380 nan 8.210 nan 0.000 0.513 426 N N 5.613 124.192 118.700 -0.203 0.000 2.424 426 N HA 0.382 5.126 4.740 0.005 0.000 0.271 426 N C -1.581 173.832 175.510 -0.162 0.000 0.985 426 N CA -0.335 52.671 53.050 -0.074 0.000 0.921 426 N CB 1.181 39.687 38.487 0.031 0.000 1.149 426 N HN 0.139 nan 8.380 nan 0.000 0.492 427 F N 1.795 121.826 119.950 0.134 0.000 2.402 427 F HA 0.311 4.841 4.527 0.004 0.000 0.355 427 F C 0.123 176.018 175.800 0.158 0.000 1.123 427 F CA -0.803 57.272 58.000 0.125 0.000 1.021 427 F CB 1.221 40.255 39.000 0.057 0.000 1.160 427 F HN 0.229 nan 8.300 nan 0.000 0.451 428 D N 5.073 125.720 120.400 0.412 0.000 2.232 428 D HA 0.564 5.207 4.640 0.005 0.000 0.242 428 D C -0.659 175.841 176.300 0.332 0.000 1.093 428 D CA -0.110 54.126 54.000 0.393 0.000 0.845 428 D CB 1.742 42.803 40.800 0.436 0.000 1.124 428 D HN 0.429 nan 8.370 nan 0.000 0.467 429 L N -0.339 121.036 121.223 0.253 0.000 2.434 429 L HA 0.895 5.239 4.340 0.005 0.000 0.260 429 L C -1.633 175.317 176.870 0.133 0.000 0.983 429 L CA -1.096 53.703 54.840 -0.068 0.000 0.820 429 L CB 1.688 43.634 42.059 -0.189 0.000 1.361 429 L HN 0.371 nan 8.230 nan 0.000 0.410 430 W N 0.054 121.243 121.300 -0.186 0.000 3.256 430 W HA 0.587 5.251 4.660 0.007 0.000 0.324 430 W C -1.219 175.110 176.519 -0.317 0.000 1.196 430 W CA -0.849 56.359 57.345 -0.228 0.000 1.206 430 W CB 0.643 29.970 29.460 -0.223 0.000 1.385 430 W HN 0.709 nan 8.180 nan 0.000 0.522 431 D N 2.596 122.895 120.400 -0.169 0.000 2.371 431 D HA 0.039 4.683 4.640 0.005 0.000 0.256 431 D C 0.466 176.654 176.300 -0.187 0.000 1.193 431 D CA 0.191 53.921 54.000 -0.450 0.000 0.881 431 D CB 1.337 41.904 40.800 -0.388 0.000 1.143 431 D HN 0.686 nan 8.370 nan 0.000 0.473 432 L N 3.746 124.826 121.223 -0.239 0.000 2.240 432 L HA 0.042 4.385 4.340 0.005 0.000 0.211 432 L C 0.697 177.561 176.870 -0.010 0.000 1.106 432 L CA 0.481 55.320 54.840 -0.002 0.000 0.793 432 L CB 0.033 42.077 42.059 -0.025 0.000 0.927 432 L HN 0.465 nan 8.230 nan 0.000 0.446 433 I N 1.376 121.913 120.570 -0.055 0.000 2.621 433 I HA 0.290 4.463 4.170 0.005 0.000 0.276 433 I C -2.430 173.686 176.117 -0.002 0.000 1.118 433 I CA -2.333 58.893 61.300 -0.123 0.000 1.159 433 I CB 0.280 38.252 38.000 -0.045 0.000 1.357 433 I HN -0.163 nan 8.210 nan 0.000 0.513 434 P HA 0.272 nan 4.420 nan 0.000 0.278 434 P C 0.150 177.488 177.300 0.063 0.000 1.238 434 P CA -0.120 63.075 63.100 0.159 0.000 0.794 434 P CB 1.323 33.111 31.700 0.146 0.000 0.955 435 F N -0.838 119.213 119.950 0.169 0.000 2.656 435 F HA 0.087 4.617 4.527 0.005 0.000 0.291 435 F C 1.903 177.763 175.800 0.100 0.000 1.122 435 F CA 0.458 58.459 58.000 0.002 0.000 1.427 435 F CB -0.128 38.628 39.000 -0.407 0.000 1.125 435 F HN 0.208 nan 8.300 nan 0.000 0.583 436 T N 1.790 116.470 114.554 0.210 0.000 2.855 436 T HA 0.204 4.558 4.350 0.005 0.000 0.314 436 T C 0.068 174.848 174.700 0.134 0.000 1.077 436 T CA -0.151 62.041 62.100 0.153 0.000 1.095 436 T CB 0.291 69.210 68.868 0.085 0.000 0.987 436 T HN -0.070 nan 8.240 nan 0.000 0.546 437 R N 2.062 122.623 120.500 0.102 0.000 2.532 437 R HA 0.536 4.879 4.340 0.005 0.000 0.297 437 R C 0.240 176.548 176.300 0.014 0.000 0.984 437 R CA -0.661 55.470 56.100 0.051 0.000 0.884 437 R CB 1.721 32.053 30.300 0.054 0.000 1.182 437 R HN 0.832 nan 8.270 nan 0.000 0.442 438 G N 0.260 109.031 108.800 -0.049 0.000 2.753 438 G HA2 0.605 4.569 3.960 0.005 0.000 0.285 438 G HA3 0.605 4.569 3.960 0.005 0.000 0.285 438 G C -0.783 174.061 174.900 -0.094 0.000 1.344 438 G CA -0.389 44.651 45.100 -0.100 0.000 1.050 438 G HN 0.545 nan 8.290 nan 0.000 0.532 439 S N -2.676 112.937 115.700 -0.146 0.000 2.588 439 S HA 0.698 5.171 4.470 0.005 0.000 0.275 439 S C -1.466 172.923 174.600 -0.351 0.000 1.130 439 S CA -0.831 57.208 58.200 -0.268 0.000 0.855 439 S CB 1.902 65.001 63.200 -0.168 0.000 1.116 439 S HN 1.593 nan 8.310 nan 0.000 0.472 440 V N 2.736 122.296 119.914 -0.590 0.000 2.577 440 V HA 0.597 4.720 4.120 0.005 0.000 0.294 440 V C -2.005 173.781 176.094 -0.514 0.000 1.052 440 V CA -0.097 61.954 62.300 -0.415 0.000 0.891 440 V CB 1.057 32.678 31.823 -0.336 0.000 1.017 440 V HN 1.094 nan 8.190 nan 0.000 0.436 441 H N 5.565 124.608 119.070 -0.045 0.000 2.895 441 H HA 0.547 5.106 4.556 0.005 0.000 0.373 441 H C -0.005 175.305 175.328 -0.030 0.000 1.174 441 H CA -0.033 55.972 56.048 -0.071 0.000 1.144 441 H CB 2.202 31.929 29.762 -0.059 0.000 1.793 441 H HN 0.893 nan 8.280 nan 0.000 0.551 442 I N -0.527 120.040 120.570 -0.005 0.000 2.882 442 I HA 0.109 4.282 4.170 0.005 0.000 0.286 442 I C 0.170 176.291 176.117 0.007 0.000 1.139 442 I CA -0.141 61.099 61.300 -0.101 0.000 1.379 442 I CB 0.841 38.513 38.000 -0.546 0.000 1.410 442 I HN 0.429 nan 8.210 nan 0.000 0.594 443 L N 3.093 124.345 121.223 0.049 0.000 2.920 443 L HA 0.265 4.608 4.340 0.005 0.000 0.257 443 L C 0.502 177.391 176.870 0.032 0.000 1.150 443 L CA 0.137 54.999 54.840 0.036 0.000 0.959 443 L CB 0.227 42.310 42.059 0.040 0.000 1.321 443 L HN 0.968 nan 8.230 nan 0.000 0.555 444 S N -2.456 113.285 115.700 0.067 0.000 2.656 444 S HA 0.251 4.725 4.470 0.005 0.000 0.273 444 S C 0.456 175.137 174.600 0.137 0.000 1.168 444 S CA 0.063 58.302 58.200 0.066 0.000 0.817 444 S CB 1.465 64.689 63.200 0.040 0.000 1.146 444 S HN 0.025 nan 8.310 nan 0.000 0.475 445 S N -0.779 114.968 115.700 0.079 0.000 2.524 445 S HA 0.145 4.619 4.470 0.005 0.000 0.216 445 S C 0.166 174.744 174.600 -0.037 0.000 0.987 445 S CA 0.509 58.762 58.200 0.088 0.000 0.909 445 S CB -0.553 62.663 63.200 0.028 0.000 0.781 445 S HN 0.775 nan 8.310 nan 0.000 0.521 446 D N 3.197 123.521 120.400 -0.126 0.000 2.336 446 D HA 0.328 4.971 4.640 0.005 0.000 0.249 446 D C -1.696 174.142 176.300 -0.770 0.000 1.213 446 D CA -2.446 51.370 54.000 -0.308 0.000 0.870 446 D CB 1.529 42.230 40.800 -0.165 0.000 1.076 446 D HN 0.009 nan 8.370 nan 0.000 0.483 447 P HA -0.145 nan 4.420 nan 0.000 0.217 447 P C 0.666 176.711 177.300 -2.092 0.000 1.150 447 P CA 1.113 62.726 63.100 -2.478 0.000 0.832 447 P CB -0.054 30.370 31.700 -2.125 0.000 0.787 448 Y N -1.353 118.431 120.300 -0.860 0.000 2.583 448 Y HA 0.034 4.587 4.550 0.004 0.000 0.293 448 Y C 2.113 177.859 175.900 -0.257 0.000 1.157 448 Y CA 0.114 57.932 58.100 -0.471 0.000 1.315 448 Y CB -1.012 37.341 38.460 -0.179 0.000 1.021 448 Y HN -0.098 nan 8.280 nan 0.000 0.536 449 L N -1.487 119.590 121.223 -0.243 0.000 2.270 449 L HA 0.023 4.367 4.340 0.005 0.000 0.210 449 L C 0.027 176.959 176.870 0.102 0.000 1.104 449 L CA 0.641 55.463 54.840 -0.030 0.000 0.804 449 L CB -0.539 41.488 42.059 -0.053 0.000 0.937 449 L HN 0.383 nan 8.230 nan 0.000 0.450 450 W N 0.827 122.175 121.300 0.080 0.000 6.486 450 W HA -0.278 4.384 4.660 0.003 0.000 0.411 450 W C 0.525 177.112 176.519 0.114 0.000 1.595 450 W CA 0.805 58.297 57.345 0.245 0.000 1.075 450 W CB -2.063 27.577 29.460 0.300 0.000 2.798 450 W HN 0.314 nan 8.180 nan 0.000 1.534 451 Q N 1.809 121.733 119.800 0.205 0.000 2.377 451 Q HA 0.451 4.794 4.340 0.005 0.000 0.249 451 Q C -0.119 175.949 176.000 0.113 0.000 1.005 451 Q CA -0.452 55.364 55.803 0.021 0.000 0.912 451 Q CB 0.248 29.002 28.738 0.026 0.000 1.223 451 Q HN 0.206 nan 8.270 nan 0.000 0.459 452 F N 0.871 120.893 119.950 0.120 0.000 2.650 452 F HA 0.854 5.386 4.527 0.008 0.000 0.320 452 F C -1.401 174.423 175.800 0.040 0.000 1.091 452 F CA -1.573 56.464 58.000 0.062 0.000 0.962 452 F CB 1.074 40.106 39.000 0.052 0.000 1.363 452 F HN 0.279 nan 8.300 nan 0.000 0.482 453 A N 2.234 125.260 122.820 0.344 0.000 2.431 453 A HA 0.429 4.752 4.320 0.005 0.000 0.318 453 A C -1.162 176.550 177.584 0.213 0.000 1.330 453 A CA -0.597 51.570 52.037 0.216 0.000 0.804 453 A CB -0.129 18.952 19.000 0.136 0.000 1.135 453 A HN 0.714 nan 8.150 nan 0.000 0.483 454 N N 2.393 121.266 118.700 0.288 0.000 2.439 454 N HA 0.215 4.958 4.740 0.005 0.000 0.249 454 N C -1.731 173.800 175.510 0.035 0.000 1.003 454 N CA 0.038 53.147 53.050 0.097 0.000 0.942 454 N CB 1.258 39.810 38.487 0.108 0.000 1.115 454 N HN 0.521 nan 8.380 nan 0.000 0.505 455 D N 4.812 125.180 120.400 -0.054 0.000 2.420 455 D HA 0.383 5.027 4.640 0.005 0.000 0.255 455 D C -2.037 174.144 176.300 -0.199 0.000 1.185 455 D CA -2.017 51.933 54.000 -0.083 0.000 0.904 455 D CB 1.772 42.554 40.800 -0.030 0.000 1.102 455 D HN 0.277 nan 8.370 nan 0.000 0.534 456 P HA -0.012 nan 4.420 nan 0.000 0.233 456 P C -0.357 176.580 177.300 -0.605 0.000 1.167 456 P CA 0.393 63.097 63.100 -0.661 0.000 0.770 456 P CB 0.106 30.950 31.700 -1.425 0.000 0.837 457 K N -1.866 118.308 120.400 -0.377 0.000 3.077 457 K HA -0.174 4.149 4.320 0.005 0.000 0.264 457 K C -0.633 175.882 176.600 -0.141 0.000 1.008 457 K CA 0.001 56.190 56.287 -0.163 0.000 0.740 457 K CB -2.254 30.204 32.500 -0.071 0.000 1.273 457 K HN 0.147 nan 8.250 nan 0.000 0.477 458 F N 0.770 120.653 119.950 -0.111 0.000 2.572 458 F HA 0.050 4.578 4.527 0.002 0.000 0.370 458 F C 1.468 177.092 175.800 -0.294 0.000 1.103 458 F CA 0.163 57.930 58.000 -0.387 0.000 1.286 458 F CB -0.108 38.484 39.000 -0.679 0.000 1.105 458 F HN 0.163 nan 8.300 nan 0.000 0.583 459 F N 0.438 120.404 119.950 0.027 0.000 3.034 459 F HA -0.289 4.241 4.527 0.004 0.000 0.286 459 F C 1.060 176.852 175.800 -0.014 0.000 0.804 459 F CA -0.100 57.866 58.000 -0.056 0.000 1.161 459 F CB -2.114 36.784 39.000 -0.170 0.000 1.317 459 F HN 0.474 nan 8.300 nan 0.000 0.453 460 L N -0.837 120.479 121.223 0.155 0.000 2.509 460 L HA 0.042 4.385 4.340 0.005 0.000 0.222 460 L C 1.372 178.281 176.870 0.065 0.000 1.123 460 L CA 0.605 55.509 54.840 0.108 0.000 0.856 460 L CB -0.105 42.008 42.059 0.089 0.000 0.985 460 L HN 0.252 nan 8.230 nan 0.000 0.456 461 N N 0.865 119.586 118.700 0.036 0.000 2.408 461 N HA 0.003 4.746 4.740 0.005 0.000 0.280 461 N C 0.939 176.378 175.510 -0.119 0.000 1.002 461 N CA -0.062 52.908 53.050 -0.133 0.000 0.907 461 N CB 1.768 40.154 38.487 -0.169 0.000 1.161 461 N HN 0.256 nan 8.380 nan 0.000 0.488 462 E N 3.504 123.595 120.200 -0.183 0.000 2.153 462 E HA -0.217 4.136 4.350 0.005 0.000 0.194 462 E C 1.076 177.656 176.600 -0.034 0.000 0.988 462 E CA 0.989 57.362 56.400 -0.046 0.000 0.811 462 E CB -0.327 29.422 29.700 0.081 0.000 0.746 462 E HN 0.602 nan 8.360 nan 0.000 0.466 463 F N 2.527 122.253 119.950 -0.374 0.000 2.186 463 F HA -0.126 4.404 4.527 0.006 0.000 0.299 463 F C 1.545 177.414 175.800 0.115 0.000 1.090 463 F CA 1.820 59.715 58.000 -0.175 0.000 1.307 463 F CB -0.032 38.600 39.000 -0.614 0.000 1.019 463 F HN -0.076 nan 8.300 nan 0.000 0.489 464 D N 0.228 120.745 120.400 0.196 0.000 2.123 464 D HA -0.191 4.453 4.640 0.005 0.000 0.196 464 D C 2.212 178.662 176.300 0.249 0.000 0.992 464 D CA 1.289 55.461 54.000 0.285 0.000 0.833 464 D CB -0.635 40.346 40.800 0.301 0.000 0.954 464 D HN 0.294 nan 8.370 nan 0.000 0.455 465 L N 0.432 121.732 121.223 0.129 0.000 2.027 465 L HA -0.046 4.297 4.340 0.005 0.000 0.206 465 L C 2.165 178.911 176.870 -0.206 0.000 1.074 465 L CA 1.306 55.991 54.840 -0.260 0.000 0.745 465 L CB -0.648 41.198 42.059 -0.354 0.000 0.898 465 L HN 0.011 nan 8.230 nan 0.000 0.433 466 L N -0.643 120.509 121.223 -0.118 0.000 2.042 466 L HA -0.171 4.173 4.340 0.005 0.000 0.210 466 L C 2.449 179.299 176.870 -0.033 0.000 1.076 466 L CA 1.465 56.255 54.840 -0.084 0.000 0.749 466 L CB -1.191 40.834 42.059 -0.056 0.000 0.893 466 L HN 0.488 nan 8.230 nan 0.000 0.432 467 G N -1.224 107.555 108.800 -0.036 0.000 2.421 467 G HA2 -0.338 3.626 3.960 0.005 0.000 0.216 467 G HA3 -0.338 3.626 3.960 0.005 0.000 0.216 467 G C 1.486 176.249 174.900 -0.229 0.000 1.171 467 G CA 0.726 45.797 45.100 -0.048 0.000 0.775 467 G HN 0.280 nan 8.290 nan 0.000 0.543 468 Q N 0.561 120.292 119.800 -0.116 0.000 2.119 468 Q HA 0.187 4.530 4.340 0.005 0.000 0.201 468 Q C 2.661 178.552 176.000 -0.183 0.000 0.972 468 Q CA 1.730 57.470 55.803 -0.105 0.000 0.847 468 Q CB -0.533 28.292 28.738 0.145 0.000 0.903 468 Q HN 0.368 nan 8.270 nan 0.000 0.433 469 A N 0.214 122.921 122.820 -0.188 0.000 1.877 469 A HA -0.051 4.273 4.320 0.005 0.000 0.216 469 A C 2.278 179.629 177.584 -0.388 0.000 1.186 469 A CA 1.844 53.780 52.037 -0.168 0.000 0.620 469 A CB -1.193 17.754 19.000 -0.088 0.000 0.822 469 A HN 0.494 nan 8.150 nan 0.000 0.443 470 A N -0.166 122.426 122.820 -0.381 0.000 1.902 470 A HA 0.168 4.491 4.320 0.005 0.000 0.217 470 A C 2.512 179.761 177.584 -0.559 0.000 1.181 470 A CA 2.115 53.871 52.037 -0.469 0.000 0.623 470 A CB -1.037 17.630 19.000 -0.555 0.000 0.818 470 A HN 1.062 nan 8.150 nan 0.000 0.443 471 A N -0.462 122.032 122.820 -0.543 0.000 1.902 471 A HA -0.077 4.247 4.320 0.005 0.000 0.217 471 A C 2.446 179.691 177.584 -0.564 0.000 1.181 471 A CA 2.126 53.844 52.037 -0.531 0.000 0.623 471 A CB -0.859 17.850 19.000 -0.484 0.000 0.818 471 A HN 0.464 nan 8.150 nan 0.000 0.443 472 S N -0.488 114.848 115.700 -0.607 0.000 2.368 472 S HA -0.153 4.320 4.470 0.005 0.000 0.224 472 S C 1.995 175.809 174.600 -1.309 0.000 1.029 472 S CA 1.555 59.284 58.200 -0.785 0.000 0.988 472 S CB -0.247 62.567 63.200 -0.643 0.000 0.838 472 S HN 0.697 nan 8.310 nan 0.000 0.462 473 K N 0.962 120.415 120.400 -1.579 0.000 2.057 473 K HA -0.105 4.218 4.320 0.005 0.000 0.207 473 K C 2.178 178.415 176.600 -0.606 0.000 1.049 473 K CA 1.134 56.649 56.287 -1.287 0.000 0.931 473 K CB -0.319 31.588 32.500 -0.987 0.000 0.714 473 K HN 0.226 nan 8.250 nan 0.000 0.440 474 L N 1.219 122.119 121.223 -0.539 0.000 2.013 474 L HA -0.167 4.176 4.340 0.005 0.000 0.212 474 L C 2.241 178.867 176.870 -0.406 0.000 1.073 474 L CA 2.250 56.858 54.840 -0.387 0.000 0.753 474 L CB -0.836 40.987 42.059 -0.392 0.000 0.890 474 L HN 0.261 nan 8.230 nan 0.000 0.432 475 A N -0.235 122.264 122.820 -0.535 0.000 1.883 475 A HA -0.277 4.046 4.320 0.005 0.000 0.217 475 A C 2.550 179.938 177.584 -0.327 0.000 1.186 475 A CA 1.986 53.618 52.037 -0.675 0.000 0.624 475 A CB -0.739 17.881 19.000 -0.633 0.000 0.822 475 A HN 0.580 nan 8.150 nan 0.000 0.444 476 R N -0.373 120.007 120.500 -0.200 0.000 2.070 476 R HA -0.188 4.156 4.340 0.005 0.000 0.233 476 R C 1.544 177.794 176.300 -0.084 0.000 1.137 476 R CA 2.019 58.107 56.100 -0.019 0.000 0.945 476 R CB -0.513 29.880 30.300 0.155 0.000 0.845 476 R HN 0.420 nan 8.270 nan 0.000 0.430 477 D N 0.781 121.108 120.400 -0.122 0.000 2.123 477 D HA -0.182 4.461 4.640 0.005 0.000 0.196 477 D C 2.044 178.278 176.300 -0.109 0.000 0.992 477 D CA 1.300 55.234 54.000 -0.110 0.000 0.833 477 D CB -0.227 40.509 40.800 -0.107 0.000 0.954 477 D HN 0.306 nan 8.370 nan 0.000 0.455 478 L N 0.575 121.728 121.223 -0.116 0.000 2.083 478 L HA -0.147 4.196 4.340 0.005 0.000 0.209 478 L C 2.473 179.348 176.870 0.009 0.000 1.083 478 L CA 1.103 55.908 54.840 -0.059 0.000 0.752 478 L CB -0.647 41.363 42.059 -0.082 0.000 0.899 478 L HN 0.033 nan 8.230 nan 0.000 0.433 479 T N -0.839 113.739 114.554 0.040 0.000 2.699 479 T HA -0.166 4.188 4.350 0.005 0.000 0.268 479 T C 1.595 176.214 174.700 -0.135 0.000 1.036 479 T CA 1.771 63.923 62.100 0.086 0.000 1.147 479 T CB -0.208 68.735 68.868 0.126 0.000 0.862 479 T HN 0.486 nan 8.240 nan 0.000 0.446 480 S N 0.015 115.513 115.700 -0.336 0.000 2.588 480 S HA 0.365 4.839 4.470 0.005 0.000 0.245 480 S C -0.060 174.440 174.600 -0.168 0.000 1.021 480 S CA -0.756 57.186 58.200 -0.429 0.000 1.006 480 S CB 0.132 62.860 63.200 -0.786 0.000 0.830 480 S HN 0.463 nan 8.310 nan 0.000 0.468 481 Q N 0.379 120.128 119.800 -0.085 0.000 2.301 481 Q HA 0.577 4.920 4.340 0.005 0.000 0.267 481 Q C 1.013 177.005 176.000 -0.012 0.000 1.035 481 Q CA 0.043 55.818 55.803 -0.045 0.000 0.856 481 Q CB 1.440 30.151 28.738 -0.044 0.000 1.337 481 Q HN 0.458 nan 8.270 nan 0.000 0.450 482 G N 1.485 110.278 108.800 -0.011 0.000 2.661 482 G HA2 -0.450 3.514 3.960 0.005 0.000 0.327 482 G HA3 -0.450 3.514 3.960 0.005 0.000 0.327 482 G C 0.787 175.694 174.900 0.012 0.000 1.320 482 G CA 0.850 45.949 45.100 -0.001 0.000 0.997 482 G HN 1.015 nan 8.290 nan 0.000 0.543 483 A N -1.710 121.126 122.820 0.028 0.000 2.019 483 A HA 0.101 4.425 4.320 0.005 0.000 0.219 483 A C 2.572 180.227 177.584 0.118 0.000 1.164 483 A CA 2.654 54.725 52.037 0.057 0.000 0.644 483 A CB -0.337 18.709 19.000 0.077 0.000 0.805 483 A HN 0.575 nan 8.150 nan 0.000 0.449 484 M N -0.460 119.213 119.600 0.123 0.000 2.159 484 M HA -0.147 4.336 4.480 0.005 0.000 0.263 484 M C 2.020 178.430 176.300 0.184 0.000 1.063 484 M CA 1.739 57.155 55.300 0.193 0.000 1.110 484 M CB -1.087 31.594 32.600 0.134 0.000 1.374 484 M HN 0.512 nan 8.290 nan 0.000 0.411 485 K N 0.480 120.933 120.400 0.088 0.000 2.089 485 K HA -0.253 4.070 4.320 0.005 0.000 0.210 485 K C 1.894 178.541 176.600 0.077 0.000 1.048 485 K CA 1.963 58.303 56.287 0.089 0.000 0.926 485 K CB -0.148 32.370 32.500 0.030 0.000 0.714 485 K HN 0.361 nan 8.250 nan 0.000 0.448 486 E N -0.711 119.442 120.200 -0.079 0.000 2.097 486 E HA -0.229 4.125 4.350 0.005 0.000 0.196 486 E C 1.203 177.581 176.600 -0.369 0.000 1.000 486 E CA 1.577 57.791 56.400 -0.308 0.000 0.804 486 E CB -0.032 29.297 29.700 -0.617 0.000 0.740 486 E HN 0.458 nan 8.360 nan 0.000 0.454 487 Y N -1.296 119.063 120.300 0.099 0.000 2.482 487 Y HA 0.122 4.675 4.550 0.005 0.000 0.270 487 Y C 0.269 176.246 175.900 0.129 0.000 1.152 487 Y CA -0.375 57.777 58.100 0.087 0.000 1.292 487 Y CB 0.064 38.565 38.460 0.069 0.000 1.070 487 Y HN 0.002 nan 8.280 nan 0.000 0.528 488 F N 1.384 121.400 119.950 0.110 0.000 2.506 488 F HA 0.454 4.984 4.527 0.005 0.000 0.371 488 F C 0.644 176.478 175.800 0.058 0.000 1.078 488 F CA -1.142 56.910 58.000 0.087 0.000 1.195 488 F CB 0.759 39.802 39.000 0.073 0.000 1.099 488 F HN -0.057 nan 8.300 nan 0.000 0.548 489 A N 4.839 127.325 122.820 -0.557 0.000 2.631 489 A HA 0.617 4.940 4.320 0.005 0.000 0.294 489 A C 0.489 177.667 177.584 -0.677 0.000 1.156 489 A CA 0.151 51.895 52.037 -0.489 0.000 0.963 489 A CB -0.874 18.006 19.000 -0.200 0.000 1.202 489 A HN 1.731 nan 8.150 nan 0.000 0.523 490 G N -0.219 107.702 108.800 -1.465 0.000 3.069 490 G HA2 0.003 3.967 3.960 0.005 0.000 0.686 490 G HA3 0.003 3.967 3.960 0.005 0.000 0.686 490 G C -0.624 174.094 174.900 -0.303 0.000 1.161 490 G CA -0.271 44.356 45.100 -0.789 0.000 0.804 490 G HN 0.565 nan 8.290 nan 0.000 0.608 491 E N 0.370 120.628 120.200 0.097 0.000 2.354 491 E HA 0.536 4.889 4.350 0.005 0.000 0.269 491 E C 1.605 178.210 176.600 0.009 0.000 1.036 491 E CA 0.231 56.746 56.400 0.192 0.000 0.876 491 E CB 0.566 30.435 29.700 0.281 0.000 1.009 491 E HN 0.765 nan 8.360 nan 0.000 0.416 492 T N 1.694 116.256 114.554 0.013 0.000 2.969 492 T HA 0.187 4.540 4.350 0.005 0.000 0.250 492 T C 0.073 174.761 174.700 -0.021 0.000 1.021 492 T CA -0.371 61.694 62.100 -0.060 0.000 1.003 492 T CB 0.372 69.215 68.868 -0.041 0.000 1.040 492 T HN 0.241 nan 8.240 nan 0.000 0.492 493 L N 1.595 122.851 121.223 0.055 0.000 2.516 493 L HA 0.539 4.882 4.340 0.005 0.000 0.267 493 L C -2.597 174.349 176.870 0.128 0.000 0.957 493 L CA -1.969 52.930 54.840 0.098 0.000 0.860 493 L CB 2.372 44.513 42.059 0.137 0.000 1.265 493 L HN -0.274 nan 8.230 nan 0.000 0.403 494 P HA 0.099 nan 4.420 nan 0.000 0.223 494 P C 0.951 178.221 177.300 -0.050 0.000 1.151 494 P CA 1.327 64.377 63.100 -0.083 0.000 0.787 494 P CB 0.195 31.485 31.700 -0.684 0.000 0.788 495 G N -0.294 108.480 108.800 -0.042 0.000 2.596 495 G HA2 -0.368 3.595 3.960 0.005 0.000 0.304 495 G HA3 -0.368 3.595 3.960 0.005 0.000 0.304 495 G C 0.656 175.580 174.900 0.040 0.000 1.189 495 G CA 0.552 45.616 45.100 -0.059 0.000 0.986 495 G HN 0.102 nan 8.290 nan 0.000 0.548 496 Y N 2.329 122.625 120.300 -0.007 0.000 2.497 496 Y HA 0.028 4.581 4.550 0.005 0.000 0.292 496 Y C 2.810 178.692 175.900 -0.031 0.000 1.137 496 Y CA 1.073 59.163 58.100 -0.017 0.000 1.285 496 Y CB -0.557 37.903 38.460 0.001 0.000 0.991 496 Y HN 0.354 nan 8.280 nan 0.000 0.556 497 N N 0.100 118.866 118.700 0.111 0.000 2.520 497 N HA -0.040 4.704 4.740 0.005 0.000 0.185 497 N C -0.057 175.436 175.510 -0.027 0.000 1.068 497 N CA 0.583 53.686 53.050 0.089 0.000 0.911 497 N CB 0.213 38.814 38.487 0.189 0.000 0.961 497 N HN 0.234 nan 8.380 nan 0.000 0.446 498 L N 0.393 121.503 121.223 -0.189 0.000 2.516 498 L HA 0.260 4.603 4.340 0.005 0.000 0.267 498 L C -0.494 176.212 176.870 -0.274 0.000 0.957 498 L CA -0.971 53.647 54.840 -0.370 0.000 0.860 498 L CB 1.718 43.233 42.059 -0.906 0.000 1.265 498 L HN -0.098 nan 8.230 nan 0.000 0.403 499 V N 2.702 122.496 119.914 -0.199 0.000 2.843 499 V HA 0.018 4.142 4.120 0.005 0.000 0.305 499 V C 1.138 177.155 176.094 -0.128 0.000 1.120 499 V CA -0.046 62.182 62.300 -0.120 0.000 1.254 499 V CB 0.279 32.047 31.823 -0.092 0.000 0.901 499 V HN 0.944 nan 8.190 nan 0.000 0.503 500 Q N 3.201 122.976 119.800 -0.041 0.000 2.226 500 Q HA -0.123 4.220 4.340 0.005 0.000 0.204 500 Q C 1.540 177.548 176.000 0.014 0.000 0.975 500 Q CA 1.881 57.685 55.803 0.002 0.000 0.866 500 Q CB -0.544 28.224 28.738 0.049 0.000 0.915 500 Q HN 1.132 nan 8.270 nan 0.000 0.440 501 N N -0.201 118.497 118.700 -0.003 0.000 2.295 501 N HA 0.161 4.904 4.740 0.005 0.000 0.221 501 N C -0.330 175.186 175.510 0.010 0.000 1.129 501 N CA 0.184 53.244 53.050 0.016 0.000 0.836 501 N CB -0.241 38.252 38.487 0.009 0.000 1.040 501 N HN -0.036 nan 8.380 nan 0.000 0.494 502 A N 0.897 123.691 122.820 -0.043 0.000 2.584 502 A HA 0.270 4.593 4.320 0.005 0.000 0.239 502 A C 1.056 178.688 177.584 0.079 0.000 1.043 502 A CA 0.199 52.165 52.037 -0.117 0.000 0.756 502 A CB -0.424 18.253 19.000 -0.538 0.000 0.963 502 A HN 0.574 nan 8.150 nan 0.000 0.511 503 T N 0.785 115.371 114.554 0.053 0.000 2.732 503 T HA 0.302 4.655 4.350 0.005 0.000 0.287 503 T C 1.196 176.010 174.700 0.189 0.000 0.993 503 T CA -0.078 62.083 62.100 0.101 0.000 0.966 503 T CB 0.270 69.163 68.868 0.042 0.000 1.047 503 T HN 0.475 nan 8.240 nan 0.000 0.527 504 L N 0.789 122.065 121.223 0.088 0.000 2.083 504 L HA 0.017 4.360 4.340 0.005 0.000 0.209 504 L C 2.948 179.834 176.870 0.027 0.000 1.083 504 L CA 2.087 56.941 54.840 0.023 0.000 0.752 504 L CB -1.293 40.631 42.059 -0.225 0.000 0.899 504 L HN 0.933 nan 8.230 nan 0.000 0.433 505 S N -1.308 114.386 115.700 -0.011 0.000 2.368 505 S HA -0.241 4.232 4.470 0.005 0.000 0.225 505 S C 1.933 176.542 174.600 0.013 0.000 1.030 505 S CA 1.555 59.748 58.200 -0.011 0.000 0.999 505 S CB -0.121 63.074 63.200 -0.009 0.000 0.844 505 S HN 0.631 nan 8.310 nan 0.000 0.459 506 Q N -0.969 118.837 119.800 0.010 0.000 2.119 506 Q HA -0.089 4.254 4.340 0.005 0.000 0.201 506 Q C 1.883 177.860 176.000 -0.038 0.000 0.972 506 Q CA 1.619 57.397 55.803 -0.043 0.000 0.847 506 Q CB -0.262 28.407 28.738 -0.115 0.000 0.903 506 Q HN 0.702 nan 8.270 nan 0.000 0.433 507 W N 0.662 121.945 121.300 -0.029 0.000 2.358 507 W HA -0.188 4.475 4.660 0.004 0.000 0.303 507 W C 2.609 179.125 176.519 -0.005 0.000 1.208 507 W CA 1.251 58.590 57.345 -0.009 0.000 1.274 507 W CB -0.089 29.328 29.460 -0.071 0.000 1.138 507 W HN 0.038 nan 8.180 nan 0.000 0.515 508 S N 0.121 115.911 115.700 0.151 0.000 2.359 508 S HA -0.224 4.249 4.470 0.005 0.000 0.224 508 S C 1.255 175.833 174.600 -0.036 0.000 1.035 508 S CA 1.753 59.939 58.200 -0.023 0.000 1.018 508 S CB -0.602 62.549 63.200 -0.082 0.000 0.876 508 S HN 0.249 nan 8.310 nan 0.000 0.448 509 D N -0.016 120.392 120.400 0.012 0.000 2.117 509 D HA -0.098 4.545 4.640 0.005 0.000 0.197 509 D C 1.639 177.963 176.300 0.040 0.000 0.987 509 D CA 0.984 54.991 54.000 0.012 0.000 0.829 509 D CB -0.414 40.395 40.800 0.017 0.000 0.961 509 D HN 0.478 nan 8.370 nan 0.000 0.460 510 Y N 1.584 121.864 120.300 -0.033 0.000 2.114 510 Y HA -0.233 4.322 4.550 0.009 0.000 0.284 510 Y C 2.310 178.258 175.900 0.080 0.000 1.143 510 Y CA 1.251 59.342 58.100 -0.015 0.000 1.135 510 Y CB -0.445 37.938 38.460 -0.129 0.000 0.980 510 Y HN -0.218 nan 8.280 nan 0.000 0.499 511 V N 0.283 120.299 119.914 0.170 0.000 2.332 511 V HA -0.317 3.806 4.120 0.005 0.000 0.248 511 V C 2.444 178.601 176.094 0.104 0.000 1.055 511 V CA 1.898 64.278 62.300 0.133 0.000 1.038 511 V CB -0.866 31.000 31.823 0.071 0.000 0.651 511 V HN 0.514 nan 8.190 nan 0.000 0.450 512 L N -0.358 120.835 121.223 -0.049 0.000 2.043 512 L HA -0.237 4.106 4.340 0.005 0.000 0.212 512 L C 2.533 179.606 176.870 0.339 0.000 1.075 512 L CA 1.956 56.856 54.840 0.100 0.000 0.752 512 L CB -0.356 41.705 42.059 0.002 0.000 0.891 512 L HN 0.297 nan 8.230 nan 0.000 0.432 513 Q N -0.654 119.207 119.800 0.102 0.000 2.269 513 Q HA 0.093 4.436 4.340 0.005 0.000 0.201 513 Q C 0.227 176.186 176.000 -0.069 0.000 0.946 513 Q CA 0.679 56.492 55.803 0.017 0.000 0.877 513 Q CB 0.106 28.792 28.738 -0.088 0.000 0.963 513 Q HN 0.594 nan 8.270 nan 0.000 0.472 514 N N 0.504 119.127 118.700 -0.128 0.000 2.886 514 N HA 0.210 4.953 4.740 0.005 0.000 0.285 514 N C -0.939 174.601 175.510 0.050 0.000 1.706 514 N CA -0.071 52.870 53.050 -0.182 0.000 0.904 514 N CB 0.495 38.668 38.487 -0.523 0.000 1.224 514 N HN 0.025 nan 8.380 nan 0.000 0.488 515 F N -0.363 119.578 119.950 -0.016 0.000 2.640 515 F HA 0.734 5.270 4.527 0.016 0.000 0.324 515 F C -0.439 175.295 175.800 -0.110 0.000 1.077 515 F CA -1.349 56.638 58.000 -0.022 0.000 0.965 515 F CB 1.277 40.312 39.000 0.059 0.000 1.351 515 F HN -0.060 nan 8.300 nan 0.000 0.487 516 R N -0.182 120.185 120.500 -0.222 0.000 2.836 516 R HA 0.734 5.078 4.340 0.005 0.000 0.269 516 R C -3.384 172.652 176.300 -0.440 0.000 1.010 516 R CA -2.217 53.652 56.100 -0.385 0.000 0.930 516 R CB 1.453 31.581 30.300 -0.287 0.000 1.218 516 R HN 0.334 nan 8.270 nan 0.000 0.473 517 P HA 0.080 nan 4.420 nan 0.000 0.269 517 P C -0.545 176.145 177.300 -1.016 0.000 1.215 517 P CA -0.264 62.523 63.100 -0.521 0.000 0.780 517 P CB 0.612 32.358 31.700 0.076 0.000 0.898 518 N N 1.269 119.537 118.700 -0.721 0.000 2.422 518 N HA -0.041 4.702 4.740 0.005 0.000 0.181 518 N C -0.276 175.021 175.510 -0.355 0.000 1.080 518 N CA 0.175 52.756 53.050 -0.781 0.000 0.893 518 N CB -0.115 37.922 38.487 -0.750 0.000 0.973 518 N HN 0.383 nan 8.380 nan 0.000 0.456 519 W N -0.390 120.932 121.300 0.037 0.000 4.706 519 W HA -0.213 4.447 4.660 -0.000 0.000 0.366 519 W C -0.571 175.809 176.519 -0.233 0.000 1.382 519 W CA 0.249 57.564 57.345 -0.050 0.000 0.832 519 W CB -2.905 26.479 29.460 -0.127 0.000 2.504 519 W HN 0.403 nan 8.180 nan 0.000 1.403 520 H N -0.842 118.269 119.070 0.068 0.000 2.562 520 H HA 0.545 5.104 4.556 0.005 0.000 0.249 520 H C 0.941 176.320 175.328 0.085 0.000 1.195 520 H CA 0.210 56.286 56.048 0.046 0.000 0.938 520 H CB 0.127 29.843 29.762 -0.077 0.000 1.891 520 H HN 0.149 nan 8.280 nan 0.000 0.595 521 A N 1.269 124.167 122.820 0.130 0.000 2.524 521 A HA 0.418 4.741 4.320 0.005 0.000 0.250 521 A C 0.536 178.176 177.584 0.092 0.000 1.078 521 A CA 0.166 52.258 52.037 0.090 0.000 0.761 521 A CB -0.254 18.764 19.000 0.029 0.000 1.012 521 A HN 0.318 nan 8.150 nan 0.000 0.500 522 V N -0.457 119.506 119.914 0.082 0.000 3.164 522 V HA 0.852 4.976 4.120 0.005 0.000 0.313 522 V C 0.459 176.528 176.094 -0.043 0.000 1.188 522 V CA -0.113 62.217 62.300 0.049 0.000 1.058 522 V CB 0.864 32.769 31.823 0.138 0.000 1.110 522 V HN 1.567 nan 8.190 nan 0.000 0.453 523 S N -0.587 115.043 115.700 -0.116 0.000 3.672 523 S HA -0.167 4.306 4.470 0.005 0.000 0.319 523 S C 1.069 175.590 174.600 -0.132 0.000 1.151 523 S CA 0.998 59.101 58.200 -0.162 0.000 0.911 523 S CB -2.111 61.001 63.200 -0.146 0.000 0.939 523 S HN 1.864 nan 8.310 nan 0.000 0.524 524 S N -1.940 113.677 115.700 -0.138 0.000 2.524 524 S HA 0.251 4.725 4.470 0.005 0.000 0.216 524 S C 0.658 175.178 174.600 -0.133 0.000 0.987 524 S CA 0.440 58.557 58.200 -0.138 0.000 0.909 524 S CB 0.219 63.322 63.200 -0.162 0.000 0.781 524 S HN 0.705 nan 8.310 nan 0.000 0.521 525 C N 2.827 122.037 119.300 -0.149 0.000 3.471 525 C HA 0.506 4.970 4.460 0.005 0.000 0.191 525 C C 0.387 175.271 174.990 -0.177 0.000 1.480 525 C CA -1.105 57.828 59.018 -0.140 0.000 1.281 525 C CB -1.171 26.483 27.740 -0.142 0.000 1.898 525 C HN 0.408 nan 8.230 nan 0.000 0.533 526 S N 1.857 117.460 115.700 -0.162 0.000 2.563 526 S HA 0.043 4.516 4.470 0.005 0.000 0.294 526 S C 0.119 174.572 174.600 -0.244 0.000 1.279 526 S CA 0.443 58.502 58.200 -0.235 0.000 1.069 526 S CB 0.276 63.363 63.200 -0.190 0.000 0.828 526 S HN 0.761 nan 8.310 nan 0.000 0.497 527 M N 6.581 125.937 119.600 -0.406 0.000 2.261 527 M HA 0.385 4.868 4.480 0.005 0.000 0.349 527 M C -0.662 175.426 176.300 -0.353 0.000 1.305 527 M CA 0.044 55.095 55.300 -0.414 0.000 1.240 527 M CB -0.626 31.591 32.600 -0.639 0.000 1.394 527 M HN 0.774 nan 8.290 nan 0.000 0.438 528 M N 2.207 121.749 119.600 -0.096 0.000 2.833 528 M HA 0.497 4.980 4.480 0.005 0.000 0.270 528 M C -0.528 175.901 176.300 0.214 0.000 1.209 528 M CA -0.992 54.343 55.300 0.058 0.000 0.826 528 M CB 1.400 34.054 32.600 0.090 0.000 1.657 528 M HN 0.455 nan 8.290 nan 0.000 0.492 529 S N 0.281 116.109 115.700 0.214 0.000 2.566 529 S HA 0.148 4.621 4.470 0.005 0.000 0.280 529 S C 0.772 175.395 174.600 0.038 0.000 1.343 529 S CA 0.126 58.422 58.200 0.161 0.000 1.036 529 S CB 1.076 64.336 63.200 0.099 0.000 0.866 529 S HN 0.944 nan 8.310 nan 0.000 0.526 530 R N 1.050 121.385 120.500 -0.275 0.000 2.105 530 R HA -0.147 4.196 4.340 0.005 0.000 0.239 530 R C 1.810 177.994 176.300 -0.193 0.000 1.135 530 R CA 2.016 57.787 56.100 -0.549 0.000 0.967 530 R CB -0.387 29.379 30.300 -0.889 0.000 0.861 530 R HN 0.833 nan 8.270 nan 0.000 0.442 531 E N 0.201 120.332 120.200 -0.115 0.000 2.153 531 E HA -0.143 4.210 4.350 0.005 0.000 0.194 531 E C 1.540 178.142 176.600 0.003 0.000 0.988 531 E CA 0.893 57.259 56.400 -0.056 0.000 0.811 531 E CB -0.002 29.671 29.700 -0.044 0.000 0.746 531 E HN 0.359 nan 8.360 nan 0.000 0.466 532 L N -1.044 120.217 121.223 0.063 0.000 2.591 532 L HA 0.175 4.519 4.340 0.005 0.000 0.228 532 L C 0.990 178.033 176.870 0.290 0.000 1.133 532 L CA 0.423 55.356 54.840 0.155 0.000 0.880 532 L CB 0.107 42.289 42.059 0.205 0.000 1.033 532 L HN 0.379 nan 8.230 nan 0.000 0.450 533 G N -0.514 108.416 108.800 0.216 0.000 2.143 533 G HA2 -0.183 3.780 3.960 0.005 0.000 0.175 533 G HA3 -0.183 3.780 3.960 0.005 0.000 0.175 533 G C 0.512 175.531 174.900 0.197 0.000 1.004 533 G CA -0.366 44.919 45.100 0.310 0.000 0.671 533 G HN 0.462 nan 8.290 nan 0.000 0.512 534 G N -1.042 107.859 108.800 0.168 0.000 2.554 534 G HA2 0.525 4.488 3.960 0.005 0.000 0.238 534 G HA3 0.525 4.488 3.960 0.005 0.000 0.238 534 G C 0.980 176.042 174.900 0.269 0.000 1.259 534 G CA 0.470 45.701 45.100 0.218 0.000 0.843 534 G HN 0.811 nan 8.290 nan 0.000 0.582 535 V N 0.865 120.876 119.914 0.161 0.000 3.212 535 V HA 0.133 4.256 4.120 0.005 0.000 0.244 535 V C 0.853 176.912 176.094 -0.060 0.000 1.151 535 V CA 1.090 63.450 62.300 0.099 0.000 1.119 535 V CB 0.210 32.016 31.823 -0.029 0.000 0.838 535 V HN 0.736 nan 8.190 nan 0.000 0.470 536 V N -1.208 118.566 119.914 -0.234 0.000 3.040 536 V HA 0.755 4.878 4.120 0.005 0.000 0.312 536 V C -0.825 174.906 176.094 -0.605 0.000 1.115 536 V CA -0.895 61.103 62.300 -0.504 0.000 0.998 536 V CB 2.053 33.687 31.823 -0.315 0.000 1.042 536 V HN 0.347 nan 8.190 nan 0.000 0.433 537 D N 2.709 122.695 120.400 -0.690 0.000 2.507 537 D HA 0.546 5.190 4.640 0.005 0.000 0.280 537 D C 1.169 177.392 176.300 -0.129 0.000 1.219 537 D CA -0.019 53.783 54.000 -0.330 0.000 1.085 537 D CB 0.989 41.639 40.800 -0.250 0.000 1.134 537 D HN 0.838 nan 8.370 nan 0.000 0.583 538 A N -1.225 121.625 122.820 0.050 0.000 2.172 538 A HA 0.015 4.339 4.320 0.005 0.000 0.216 538 A C 1.621 179.432 177.584 0.378 0.000 1.154 538 A CA 1.713 53.889 52.037 0.231 0.000 0.701 538 A CB -1.051 18.175 19.000 0.376 0.000 0.789 538 A HN 0.676 nan 8.150 nan 0.000 0.465 539 T N -5.389 109.268 114.554 0.171 0.000 3.134 539 T HA 0.513 4.866 4.350 0.005 0.000 0.260 539 T C 0.806 175.544 174.700 0.065 0.000 1.027 539 T CA 0.900 63.095 62.100 0.158 0.000 0.913 539 T CB 0.020 68.953 68.868 0.109 0.000 1.046 539 T HN 1.700 nan 8.240 nan 0.000 0.553 540 A N 0.610 123.416 122.820 -0.024 0.000 2.899 540 A HA -0.184 4.139 4.320 0.005 0.000 0.257 540 A C 0.342 177.853 177.584 -0.122 0.000 1.335 540 A CA 1.008 52.979 52.037 -0.111 0.000 0.924 540 A CB -2.502 16.456 19.000 -0.070 0.000 1.105 540 A HN 0.651 nan 8.150 nan 0.000 0.765 541 K N 0.187 120.507 120.400 -0.133 0.000 2.249 541 K HA 0.459 4.782 4.320 0.005 0.000 0.280 541 K C 0.229 176.690 176.600 -0.233 0.000 1.033 541 K CA -0.377 55.839 56.287 -0.119 0.000 0.946 541 K CB 1.457 33.916 32.500 -0.068 0.000 1.005 541 K HN 0.197 nan 8.250 nan 0.000 0.469 542 V N 4.668 124.506 119.914 -0.128 0.000 2.529 542 V HA -0.061 4.063 4.120 0.005 0.000 0.292 542 V C -0.084 175.949 176.094 -0.102 0.000 1.028 542 V CA -0.090 62.133 62.300 -0.128 0.000 1.074 542 V CB -0.462 31.357 31.823 -0.007 0.000 0.958 542 V HN 0.490 nan 8.190 nan 0.000 0.481 543 Y N 3.206 123.503 120.300 -0.005 0.000 2.712 543 Y HA 0.341 4.894 4.550 0.005 0.000 0.333 543 Y C 1.577 177.469 175.900 -0.012 0.000 1.225 543 Y CA 1.340 59.437 58.100 -0.004 0.000 1.499 543 Y CB 0.095 38.546 38.460 -0.015 0.000 1.288 543 Y HN 0.938 nan 8.280 nan 0.000 0.575 544 G N 1.453 110.359 108.800 0.177 0.000 2.179 544 G HA2 -0.262 3.701 3.960 0.005 0.000 0.260 544 G HA3 -0.262 3.701 3.960 0.005 0.000 0.260 544 G C 0.167 175.089 174.900 0.037 0.000 0.977 544 G CA 0.372 45.519 45.100 0.079 0.000 0.641 544 G HN 1.035 nan 8.290 nan 0.000 0.533 545 T N -2.641 111.947 114.554 0.056 0.000 2.916 545 T HA 0.761 5.115 4.350 0.005 0.000 0.292 545 T C -0.703 174.055 174.700 0.097 0.000 1.064 545 T CA -0.657 61.486 62.100 0.073 0.000 1.011 545 T CB 2.605 71.549 68.868 0.127 0.000 1.152 545 T HN 0.249 nan 8.240 nan 0.000 0.510 546 Q N -0.126 119.752 119.800 0.130 0.000 2.365 546 Q HA 0.537 4.880 4.340 0.005 0.000 0.269 546 Q C 0.738 176.820 176.000 0.137 0.000 1.061 546 Q CA -0.463 55.409 55.803 0.115 0.000 0.816 546 Q CB 1.825 30.622 28.738 0.098 0.000 1.325 546 Q HN 1.425 nan 8.270 nan 0.000 0.446 547 G N 1.394 110.264 108.800 0.117 0.000 2.179 547 G HA2 -0.263 3.700 3.960 0.005 0.000 0.257 547 G HA3 -0.263 3.700 3.960 0.005 0.000 0.257 547 G C -0.562 174.406 174.900 0.113 0.000 1.010 547 G CA 0.546 45.715 45.100 0.115 0.000 0.736 547 G HN 0.378 nan 8.290 nan 0.000 0.513 548 L N -0.180 121.113 121.223 0.117 0.000 2.439 548 L HA 0.844 5.187 4.340 0.005 0.000 0.270 548 L C -0.204 176.704 176.870 0.063 0.000 0.972 548 L CA -1.078 53.823 54.840 0.102 0.000 0.836 548 L CB 1.390 43.552 42.059 0.171 0.000 1.255 548 L HN 0.225 nan 8.230 nan 0.000 0.404 549 R N 3.386 123.911 120.500 0.041 0.000 2.795 549 R HA 0.834 5.177 4.340 0.005 0.000 0.275 549 R C -1.575 174.707 176.300 -0.031 0.000 0.981 549 R CA -1.087 55.010 56.100 -0.005 0.000 0.917 549 R CB 2.587 32.888 30.300 0.002 0.000 1.202 549 R HN 0.385 nan 8.270 nan 0.000 0.469 550 V N 3.508 123.377 119.914 -0.075 0.000 2.409 550 V HA 0.295 4.418 4.120 0.005 0.000 0.291 550 V C 0.699 176.713 176.094 -0.134 0.000 1.020 550 V CA -0.425 61.816 62.300 -0.099 0.000 0.848 550 V CB 1.392 33.145 31.823 -0.117 0.000 0.990 550 V HN 0.785 nan 8.190 nan 0.000 0.430 551 I N 0.067 120.558 120.570 -0.132 0.000 4.009 551 I HA 0.429 4.602 4.170 0.005 0.000 0.331 551 I C 0.361 176.354 176.117 -0.207 0.000 1.462 551 I CA -0.310 60.901 61.300 -0.148 0.000 1.117 551 I CB 0.410 38.343 38.000 -0.111 0.000 1.091 551 I HN 0.600 nan 8.210 nan 0.000 0.410 552 D N 0.886 121.142 120.400 -0.240 0.000 2.570 552 D HA 0.281 4.924 4.640 0.005 0.000 0.266 552 D C 1.590 177.590 176.300 -0.500 0.000 1.182 552 D CA -0.033 53.778 54.000 -0.315 0.000 1.088 552 D CB -0.159 40.516 40.800 -0.207 0.000 1.186 552 D HN -0.081 nan 8.370 nan 0.000 0.618 553 G N -1.116 107.352 108.800 -0.552 0.000 2.586 553 G HA2 -0.158 3.806 3.960 0.005 0.000 0.215 553 G HA3 -0.158 3.806 3.960 0.005 0.000 0.215 553 G C 1.156 175.862 174.900 -0.323 0.000 1.128 553 G CA 0.758 45.467 45.100 -0.652 0.000 0.774 553 G HN 0.361 nan 8.290 nan 0.000 0.543 554 S N 0.405 115.942 115.700 -0.272 0.000 2.423 554 S HA -0.086 4.388 4.470 0.005 0.000 0.231 554 S C 2.217 176.658 174.600 -0.264 0.000 1.014 554 S CA 1.057 59.127 58.200 -0.217 0.000 0.965 554 S CB -0.151 62.933 63.200 -0.192 0.000 0.785 554 S HN 0.726 nan 8.310 nan 0.000 0.495 555 I N -0.562 119.800 120.570 -0.347 0.000 2.852 555 I HA 0.189 4.363 4.170 0.005 0.000 0.264 555 I C -2.341 173.451 176.117 -0.543 0.000 1.179 555 I CA -0.676 60.378 61.300 -0.411 0.000 1.480 555 I CB -1.422 36.328 38.000 -0.417 0.000 1.111 555 I HN -0.062 nan 8.210 nan 0.000 0.441 556 P HA 0.041 nan 4.420 nan 0.000 0.261 556 P C -1.974 174.921 177.300 -0.673 0.000 1.183 556 P CA -0.714 61.943 63.100 -0.739 0.000 0.761 556 P CB 0.049 31.653 31.700 -0.160 0.000 0.785 557 P HA -0.043 nan 4.420 nan 0.000 0.236 557 P C 0.097 177.010 177.300 -0.645 0.000 1.177 557 P CA 1.046 63.609 63.100 -0.896 0.000 0.773 557 P CB 0.321 31.227 31.700 -1.322 0.000 0.878 558 T N -4.391 110.007 114.554 -0.260 0.000 2.883 558 T HA 0.408 4.762 4.350 0.005 0.000 0.296 558 T C -0.168 174.779 174.700 0.413 0.000 1.117 558 T CA -0.836 61.412 62.100 0.247 0.000 1.006 558 T CB 1.767 71.120 68.868 0.808 0.000 1.191 558 T HN -0.268 nan 8.240 nan 0.000 0.508 559 Q N 0.354 120.444 119.800 0.482 0.000 2.396 559 Q HA 0.572 4.915 4.340 0.005 0.000 0.221 559 Q C -0.018 176.230 176.000 0.412 0.000 1.025 559 Q CA -0.440 55.576 55.803 0.355 0.000 0.946 559 Q CB 1.507 30.380 28.738 0.224 0.000 1.224 559 Q HN 0.825 nan 8.270 nan 0.000 0.539 560 V N -2.126 117.934 119.914 0.244 0.000 2.962 560 V HA 0.521 4.644 4.120 0.005 0.000 0.313 560 V C -0.228 175.857 176.094 -0.015 0.000 1.099 560 V CA -0.907 61.457 62.300 0.107 0.000 0.971 560 V CB 2.134 34.021 31.823 0.107 0.000 1.028 560 V HN 0.616 nan 8.190 nan 0.000 0.430 561 S N 2.534 118.127 115.700 -0.179 0.000 4.087 561 S HA 0.636 5.109 4.470 0.005 0.000 0.213 561 S C 0.074 174.377 174.600 -0.494 0.000 1.415 561 S CA 0.352 58.373 58.200 -0.298 0.000 0.893 561 S CB -0.760 62.177 63.200 -0.438 0.000 1.529 561 S HN 1.223 nan 8.310 nan 0.000 0.457 562 S N 1.032 116.631 115.700 -0.168 0.000 2.645 562 S HA 0.242 4.716 4.470 0.005 0.000 0.268 562 S C -1.719 172.854 174.600 -0.044 0.000 1.110 562 S CA -0.812 57.349 58.200 -0.066 0.000 0.823 562 S CB 0.542 63.685 63.200 -0.094 0.000 1.091 562 S HN 0.554 nan 8.310 nan 0.000 0.466 563 H N 1.726 120.909 119.070 0.188 0.000 2.683 563 H HA 0.254 4.813 4.556 0.005 0.000 0.339 563 H C 1.422 176.732 175.328 -0.029 0.000 1.081 563 H CA 0.691 56.809 56.048 0.117 0.000 1.432 563 H CB 1.386 31.281 29.762 0.222 0.000 1.462 563 H HN 0.552 nan 8.280 nan 0.000 0.557 564 V N 0.773 120.644 119.914 -0.071 0.000 3.541 564 V HA -0.086 4.038 4.120 0.005 0.000 0.267 564 V C 2.131 177.885 176.094 -0.567 0.000 1.213 564 V CA 0.567 62.580 62.300 -0.477 0.000 1.149 564 V CB -0.461 30.738 31.823 -1.039 0.000 0.822 564 V HN 0.649 nan 8.190 nan 0.000 0.462 565 M N 2.105 121.568 119.600 -0.227 0.000 2.080 565 M HA -0.176 4.307 4.480 0.005 0.000 0.260 565 M C 2.536 178.785 176.300 -0.086 0.000 1.068 565 M CA 2.787 58.030 55.300 -0.095 0.000 1.109 565 M CB -0.655 32.102 32.600 0.261 0.000 1.342 565 M HN 0.764 nan 8.290 nan 0.000 0.405 566 T N -0.431 113.898 114.554 -0.375 0.000 2.635 566 T HA -0.207 4.146 4.350 0.005 0.000 0.267 566 T C 1.573 176.270 174.700 -0.005 0.000 1.040 566 T CA 1.629 63.474 62.100 -0.424 0.000 1.156 566 T CB -0.791 67.719 68.868 -0.598 0.000 0.863 566 T HN 0.326 nan 8.240 nan 0.000 0.430 567 I N 0.379 120.962 120.570 0.023 0.000 2.394 567 I HA 0.044 4.217 4.170 0.005 0.000 0.251 567 I C 1.804 178.172 176.117 0.418 0.000 1.136 567 I CA 0.623 62.048 61.300 0.208 0.000 1.425 567 I CB -0.697 37.435 38.000 0.221 0.000 1.079 567 I HN 0.103 nan 8.210 nan 0.000 0.425 568 F N -0.213 119.779 119.950 0.070 0.000 2.186 568 F HA -0.155 4.374 4.527 0.004 0.000 0.299 568 F C 2.323 178.111 175.800 -0.020 0.000 1.090 568 F CA 1.008 59.012 58.000 0.007 0.000 1.307 568 F CB -1.718 37.227 39.000 -0.092 0.000 1.019 568 F HN 0.119 nan 8.300 nan 0.000 0.489 569 Y N 0.352 120.830 120.300 0.296 0.000 2.181 569 Y HA -0.099 4.454 4.550 0.006 0.000 0.288 569 Y C 2.727 178.720 175.900 0.155 0.000 1.146 569 Y CA 1.208 59.446 58.100 0.230 0.000 1.164 569 Y CB -1.201 37.464 38.460 0.342 0.000 0.982 569 Y HN 0.029 nan 8.280 nan 0.000 0.515 570 G N -0.446 108.548 108.800 0.324 0.000 2.446 570 G HA2 -0.328 3.635 3.960 0.005 0.000 0.217 570 G HA3 -0.328 3.635 3.960 0.005 0.000 0.217 570 G C 1.808 176.732 174.900 0.041 0.000 1.168 570 G CA 1.074 46.292 45.100 0.197 0.000 0.771 570 G HN 0.410 nan 8.290 nan 0.000 0.551 571 M N 0.907 120.627 119.600 0.200 0.000 2.080 571 M HA -0.013 4.471 4.480 0.005 0.000 0.260 571 M C 2.747 179.105 176.300 0.096 0.000 1.068 571 M CA 2.016 57.494 55.300 0.297 0.000 1.109 571 M CB -0.163 32.671 32.600 0.389 0.000 1.342 571 M HN 0.264 nan 8.290 nan 0.000 0.405 572 A N 0.618 123.454 122.820 0.028 0.000 1.933 572 A HA -0.124 4.200 4.320 0.005 0.000 0.218 572 A C 2.029 179.535 177.584 -0.131 0.000 1.175 572 A CA 1.520 53.517 52.037 -0.066 0.000 0.628 572 A CB -0.977 17.965 19.000 -0.098 0.000 0.814 572 A HN 0.626 nan 8.150 nan 0.000 0.444 573 L N -0.823 120.322 121.223 -0.130 0.000 2.056 573 L HA -0.176 4.167 4.340 0.005 0.000 0.207 573 L C 2.640 179.280 176.870 -0.383 0.000 1.078 573 L CA 1.879 56.627 54.840 -0.152 0.000 0.749 573 L CB -0.386 41.712 42.059 0.065 0.000 0.901 573 L HN 0.474 nan 8.230 nan 0.000 0.433 574 K N 0.100 120.010 120.400 -0.816 0.000 2.057 574 K HA -0.152 4.172 4.320 0.005 0.000 0.207 574 K C 1.994 178.387 176.600 -0.345 0.000 1.049 574 K CA 1.332 57.013 56.287 -1.010 0.000 0.931 574 K CB 0.032 31.777 32.500 -1.259 0.000 0.714 574 K HN 0.054 nan 8.250 nan 0.000 0.440 575 V N 1.342 121.168 119.914 -0.146 0.000 2.407 575 V HA -0.233 3.891 4.120 0.005 0.000 0.248 575 V C 2.421 178.471 176.094 -0.072 0.000 1.055 575 V CA 1.893 64.184 62.300 -0.015 0.000 1.049 575 V CB -0.630 31.211 31.823 0.030 0.000 0.662 575 V HN 0.503 nan 8.190 nan 0.000 0.455 576 A N -0.124 122.624 122.820 -0.119 0.000 1.908 576 A HA -0.273 4.050 4.320 0.005 0.000 0.218 576 A C 2.013 179.546 177.584 -0.085 0.000 1.181 576 A CA 2.122 54.081 52.037 -0.131 0.000 0.627 576 A CB -0.637 18.277 19.000 -0.143 0.000 0.818 576 A HN 0.525 nan 8.150 nan 0.000 0.445 577 D N -0.045 120.326 120.400 -0.049 0.000 2.117 577 D HA -0.059 4.584 4.640 0.005 0.000 0.197 577 D C 2.262 178.569 176.300 0.011 0.000 0.987 577 D CA 1.552 55.558 54.000 0.010 0.000 0.829 577 D CB -0.435 40.414 40.800 0.082 0.000 0.961 577 D HN 0.418 nan 8.370 nan 0.000 0.460 578 A N 0.591 123.410 122.820 -0.000 0.000 1.902 578 A HA -0.144 4.179 4.320 0.005 0.000 0.217 578 A C 2.387 179.997 177.584 0.043 0.000 1.181 578 A CA 0.975 53.032 52.037 0.034 0.000 0.623 578 A CB -0.723 18.310 19.000 0.055 0.000 0.818 578 A HN 0.212 nan 8.150 nan 0.000 0.443 579 I N -0.452 120.120 120.570 0.004 0.000 2.226 579 I HA -0.256 3.917 4.170 0.005 0.000 0.245 579 I C 2.327 178.467 176.117 0.039 0.000 1.100 579 I CA 1.125 62.426 61.300 0.002 0.000 1.374 579 I CB -0.305 37.607 38.000 -0.148 0.000 1.057 579 I HN 0.273 nan 8.210 nan 0.000 0.413 580 L N 0.120 121.339 121.223 -0.007 0.000 2.141 580 L HA -0.202 4.141 4.340 0.005 0.000 0.209 580 L C 2.064 179.013 176.870 0.133 0.000 1.094 580 L CA 1.003 55.870 54.840 0.046 0.000 0.763 580 L CB -0.610 41.441 42.059 -0.014 0.000 0.908 580 L HN 0.241 nan 8.230 nan 0.000 0.437 581 D N 0.082 120.539 120.400 0.096 0.000 2.117 581 D HA -0.189 4.454 4.640 0.005 0.000 0.197 581 D C 1.786 178.157 176.300 0.118 0.000 0.987 581 D CA 1.222 55.280 54.000 0.097 0.000 0.829 581 D CB -0.137 40.708 40.800 0.076 0.000 0.961 581 D HN 0.245 nan 8.370 nan 0.000 0.460 582 D N -0.747 119.736 120.400 0.138 0.000 2.144 582 D HA -0.142 4.502 4.640 0.005 0.000 0.200 582 D C 1.898 178.310 176.300 0.187 0.000 0.978 582 D CA 0.449 54.541 54.000 0.153 0.000 0.833 582 D CB -0.368 40.534 40.800 0.170 0.000 0.961 582 D HN 0.277 nan 8.370 nan 0.000 0.470 583 Y N 1.772 122.138 120.300 0.110 0.000 2.128 583 Y HA -0.243 4.311 4.550 0.006 0.000 0.284 583 Y C 2.249 178.193 175.900 0.074 0.000 1.154 583 Y CA 1.957 60.106 58.100 0.081 0.000 1.149 583 Y CB -0.370 38.109 38.460 0.032 0.000 0.976 583 Y HN -0.048 nan 8.280 nan 0.000 0.505 584 A N 0.190 123.086 122.820 0.128 0.000 1.933 584 A HA -0.220 4.104 4.320 0.005 0.000 0.218 584 A C 2.134 179.709 177.584 -0.014 0.000 1.175 584 A CA 1.983 54.049 52.037 0.048 0.000 0.628 584 A CB -0.608 18.458 19.000 0.109 0.000 0.814 584 A HN 0.523 nan 8.150 nan 0.000 0.444 585 K N 0.468 120.878 120.400 0.018 0.000 2.504 585 K HA -0.031 4.292 4.320 0.005 0.000 0.195 585 K C 1.355 177.952 176.600 -0.005 0.000 1.036 585 K CA 0.991 57.288 56.287 0.017 0.000 0.984 585 K CB -0.019 32.507 32.500 0.044 0.000 0.788 585 K HN 0.612 nan 8.250 nan 0.000 0.488 586 S N -0.338 115.338 115.700 -0.040 0.000 2.583 586 S HA 0.542 5.015 4.470 0.005 0.000 0.239 586 S C 0.199 174.747 174.600 -0.086 0.000 0.966 586 S CA -0.172 58.004 58.200 -0.040 0.000 0.973 586 S CB -0.017 63.192 63.200 0.015 0.000 0.794 586 S HN 0.278 nan 8.310 nan 0.000 0.463 587 A N 0.000 122.765 122.820 -0.092 0.000 2.254 587 A HA 0.000 4.323 4.320 0.005 0.000 0.244 587 A CA 0.000 51.989 52.037 -0.080 0.000 0.836 587 A CB 0.000 18.968 19.000 -0.053 0.000 0.831 587 A HN 0.000 nan 8.150 nan 0.000 0.486