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 2rl2_1_A DATA FIRST_RESID 1 DATA SEQUENCE MDKFRVYGQS RLSGSVNISG AKNAALPILF AAILATEPVK LTNVPELKDI DATA SEQUENCE ETTLKILRQL GVVVDRDATG AVLLDASNIN HFTAPYELVK TMRASIWALA DATA SEQUENCE PLVARFHQGQ VSLPGGCSIG ARPVDLHISG LEKLGADIVL EEGYVKAQVS DATA SEQUENCE DRLVGTRIVI EKVSVGATLS IMMAATLAKG TTVIENAARE PEIVDTADFL DATA SEQUENCE NKMGAKITGA GSAHITIEGV ERLTGCEHSV VPDRIETGTF LIAAAISGGC DATA SEQUENCE VVCQNTKADT LDAVIDKLRE AGAQVDVTEN SITLDMLGNR PKAVNIRTAP DATA SEQUENCE HPGFPTDMQA QFTLLNMVAE GTSIITETIF ENRFMHIPEL IRMGGKAEIE DATA SEQUENCE GNTAVCHGVE QLSGTEVIAT DLRASISLVL AGCIATGETI VDRIYHIDRG DATA SEQUENCE YEHIEDKLRG LGAKIERFSG VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.236 176.300 -0.107 0.000 1.140 1 M CA 0.000 55.259 55.300 -0.069 0.000 0.988 1 M CB 0.000 32.566 32.600 -0.057 0.000 1.302 2 D N 4.083 124.420 120.400 -0.105 0.000 2.344 2 D HA 0.633 5.273 4.640 0.000 0.000 0.244 2 D C -0.312 175.824 176.300 -0.274 0.000 1.134 2 D CA 0.194 54.086 54.000 -0.180 0.000 0.930 2 D CB 1.008 41.742 40.800 -0.110 0.000 1.175 2 D HN 0.633 nan 8.370 nan 0.000 0.437 3 K N -0.196 119.960 120.400 -0.407 0.000 2.546 3 K HA 0.410 4.730 4.320 0.000 0.000 0.264 3 K C -1.426 175.117 176.600 -0.094 0.000 0.937 3 K CA -0.820 55.241 56.287 -0.377 0.000 0.833 3 K CB 1.081 33.312 32.500 -0.448 0.000 1.378 3 K HN 0.032 nan 8.250 nan 0.000 0.432 4 F N 1.415 121.385 119.950 0.034 0.000 2.385 4 F HA 0.441 4.968 4.527 0.000 0.000 0.336 4 F C 0.658 176.648 175.800 0.317 0.000 1.100 4 F CA -1.059 57.054 58.000 0.189 0.000 1.116 4 F CB 1.524 40.579 39.000 0.092 0.000 1.166 4 F HN 0.516 nan 8.300 nan 0.000 0.511 5 R N 2.537 123.328 120.500 0.485 0.000 2.343 5 R HA 0.682 5.022 4.340 0.000 0.000 0.320 5 R C -1.985 174.302 176.300 -0.021 0.000 0.956 5 R CA -0.347 55.829 56.100 0.127 0.000 0.836 5 R CB 1.098 31.295 30.300 -0.173 0.000 1.151 5 R HN 0.492 nan 8.270 nan 0.000 0.450 6 V N 5.629 125.475 119.914 -0.113 0.000 2.487 6 V HA 0.335 4.455 4.120 0.000 0.000 0.298 6 V C -1.064 174.894 176.094 -0.227 0.000 1.028 6 V CA -0.815 61.432 62.300 -0.089 0.000 0.860 6 V CB 1.530 33.354 31.823 0.001 0.000 0.991 6 V HN 0.656 nan 8.190 nan 0.000 0.427 7 Y N 2.905 123.199 120.300 -0.009 0.000 2.383 7 Y HA 0.600 5.150 4.550 0.000 0.000 0.344 7 Y C 1.104 177.000 175.900 -0.006 0.000 0.986 7 Y CA 0.108 58.202 58.100 -0.011 0.000 1.175 7 Y CB 1.287 39.734 38.460 -0.021 0.000 1.152 7 Y HN 0.772 nan 8.280 nan 0.000 0.511 8 G N 1.253 110.104 108.800 0.086 0.000 2.588 8 G HA2 0.343 4.303 3.960 0.000 0.000 0.278 8 G HA3 0.343 4.303 3.960 0.000 0.000 0.278 8 G C -0.811 174.126 174.900 0.061 0.000 1.307 8 G CA -0.758 44.377 45.100 0.057 0.000 1.016 8 G HN 0.770 nan 8.290 nan 0.000 0.503 9 Q N -1.421 118.402 119.800 0.038 0.000 2.444 9 Q HA -0.116 4.225 4.340 0.000 0.000 0.343 9 Q C -0.766 175.251 176.000 0.029 0.000 1.458 9 Q CA 0.534 56.355 55.803 0.030 0.000 0.903 9 Q CB -1.810 26.946 28.738 0.031 0.000 1.127 9 Q HN 0.428 nan 8.270 nan 0.000 0.344 10 S N 0.420 116.135 115.700 0.025 0.000 2.556 10 S HA 0.657 5.128 4.470 0.000 0.000 0.271 10 S C -0.873 173.737 174.600 0.016 0.000 1.135 10 S CA -1.041 57.172 58.200 0.021 0.000 0.858 10 S CB 2.353 65.570 63.200 0.027 0.000 1.114 10 S HN 0.437 nan 8.310 nan 0.000 0.468 11 R N 1.864 122.372 120.500 0.012 0.000 2.295 11 R HA 0.548 4.888 4.340 0.000 0.000 0.324 11 R C -1.419 174.888 176.300 0.011 0.000 0.968 11 R CA -0.570 55.537 56.100 0.010 0.000 0.837 11 R CB 0.350 30.655 30.300 0.007 0.000 1.133 11 R HN 0.618 nan 8.270 nan 0.000 0.450 12 L N 3.814 125.047 121.223 0.016 0.000 2.261 12 L HA 0.394 4.734 4.340 0.000 0.000 0.289 12 L C -0.479 176.400 176.870 0.016 0.000 1.059 12 L CA -0.259 54.593 54.840 0.020 0.000 0.816 12 L CB 1.523 43.605 42.059 0.038 0.000 1.191 12 L HN 0.657 nan 8.230 nan 0.000 0.431 13 S N 1.379 117.082 115.700 0.004 0.000 2.564 13 S HA 0.958 5.428 4.470 0.000 0.000 0.274 13 S C 0.032 174.623 174.600 -0.015 0.000 1.124 13 S CA -0.183 58.016 58.200 -0.001 0.000 0.869 13 S CB 2.403 65.603 63.200 -0.001 0.000 1.105 13 S HN 0.977 nan 8.310 nan 0.000 0.472 14 G N 1.038 109.827 108.800 -0.020 0.000 2.293 14 G HA2 0.291 4.251 3.960 0.000 0.000 0.282 14 G HA3 0.291 4.251 3.960 0.000 0.000 0.282 14 G C -1.072 173.801 174.900 -0.046 0.000 1.299 14 G CA -0.155 44.925 45.100 -0.034 0.000 1.018 14 G HN 0.925 nan 8.290 nan 0.000 0.478 15 S N -1.602 114.061 115.700 -0.063 0.000 2.537 15 S HA 0.804 5.275 4.470 0.000 0.000 0.301 15 S C -0.929 173.593 174.600 -0.129 0.000 1.092 15 S CA 0.100 58.255 58.200 -0.074 0.000 1.048 15 S CB 1.598 64.766 63.200 -0.052 0.000 1.053 15 S HN 2.067 nan 8.310 nan 0.000 0.501 16 V N 4.129 123.948 119.914 -0.158 0.000 2.851 16 V HA 0.541 4.661 4.120 0.000 0.000 0.307 16 V C -1.579 174.421 176.094 -0.157 0.000 1.129 16 V CA -0.843 61.302 62.300 -0.257 0.000 0.932 16 V CB 2.181 33.645 31.823 -0.598 0.000 1.024 16 V HN 0.966 nan 8.190 nan 0.000 0.426 17 N N 4.779 123.412 118.700 -0.111 0.000 2.472 17 N HA 0.542 5.282 4.740 0.000 0.000 0.277 17 N C -0.670 174.854 175.510 0.023 0.000 1.081 17 N CA -0.165 52.866 53.050 -0.031 0.000 0.973 17 N CB 1.228 39.706 38.487 -0.016 0.000 1.105 17 N HN 0.570 nan 8.380 nan 0.000 0.470 18 I N 1.366 121.972 120.570 0.061 0.000 2.342 18 I HA 0.192 4.362 4.170 0.000 0.000 0.291 18 I C 0.587 176.755 176.117 0.085 0.000 1.010 18 I CA 0.053 61.423 61.300 0.117 0.000 1.308 18 I CB 0.724 38.794 38.000 0.117 0.000 1.400 18 I HN 0.403 nan 8.210 nan 0.000 0.488 19 S N 3.478 119.238 115.700 0.099 0.000 2.686 19 S HA 0.639 5.109 4.470 0.000 0.000 0.270 19 S C 0.467 175.087 174.600 0.033 0.000 1.194 19 S CA -0.603 57.636 58.200 0.064 0.000 0.990 19 S CB 0.875 64.121 63.200 0.076 0.000 1.029 19 S HN 0.810 nan 8.310 nan 0.000 0.560 20 G N -0.068 108.741 108.800 0.016 0.000 2.594 20 G HA2 0.460 4.420 3.960 0.000 0.000 0.243 20 G HA3 0.460 4.420 3.960 0.000 0.000 0.243 20 G C -0.168 174.724 174.900 -0.013 0.000 1.229 20 G CA -0.386 44.714 45.100 -0.001 0.000 0.843 20 G HN 0.881 nan 8.290 nan 0.000 0.578 21 A N 0.963 123.771 122.820 -0.020 0.000 2.454 21 A HA 0.317 4.637 4.320 0.000 0.000 0.260 21 A C 1.563 179.128 177.584 -0.032 0.000 1.106 21 A CA -0.011 52.006 52.037 -0.034 0.000 0.780 21 A CB 0.469 19.450 19.000 -0.032 0.000 1.044 21 A HN 0.881 nan 8.150 nan 0.000 0.498 22 K N 2.219 122.592 120.400 -0.044 0.000 2.063 22 K HA -0.179 4.141 4.320 0.000 0.000 0.208 22 K C 0.592 177.208 176.600 0.028 0.000 1.048 22 K CA 1.978 58.254 56.287 -0.019 0.000 0.928 22 K CB -0.099 32.376 32.500 -0.041 0.000 0.713 22 K HN 0.737 nan 8.250 nan 0.000 0.442 23 N N -0.024 118.694 118.700 0.031 0.000 2.515 23 N HA -0.016 4.725 4.740 0.000 0.000 0.191 23 N C 0.557 176.082 175.510 0.024 0.000 1.182 23 N CA 0.753 53.856 53.050 0.089 0.000 0.879 23 N CB 0.629 39.171 38.487 0.091 0.000 0.984 23 N HN 0.341 nan 8.380 nan 0.000 0.453 24 A N -0.146 122.660 122.820 -0.023 0.000 1.988 24 A HA 0.462 4.782 4.320 0.000 0.000 0.198 24 A C 2.097 179.614 177.584 -0.112 0.000 1.507 24 A CA 0.662 52.652 52.037 -0.078 0.000 0.901 24 A CB -0.515 18.458 19.000 -0.046 0.000 1.007 24 A HN 0.168 nan 8.150 nan 0.000 0.502 25 A N 0.416 123.194 122.820 -0.071 0.000 1.902 25 A HA -0.040 4.280 4.320 0.000 0.000 0.217 25 A C 2.124 179.653 177.584 -0.092 0.000 1.181 25 A CA 1.542 53.523 52.037 -0.094 0.000 0.623 25 A CB -0.721 18.246 19.000 -0.055 0.000 0.818 25 A HN 0.449 nan 8.150 nan 0.000 0.443 26 L N -0.069 121.162 121.223 0.012 0.000 1.955 26 L HA -0.127 4.213 4.340 0.000 0.000 0.213 26 L C -0.145 176.811 176.870 0.144 0.000 1.072 26 L CA 1.942 56.877 54.840 0.158 0.000 0.755 26 L CB -1.619 40.681 42.059 0.402 0.000 0.888 26 L HN 0.296 nan 8.230 nan 0.000 0.432 27 P HA -0.182 nan 4.420 nan 0.000 0.218 27 P C 1.829 178.950 177.300 -0.298 0.000 1.149 27 P CA 1.672 64.445 63.100 -0.545 0.000 0.817 27 P CB 0.002 31.026 31.700 -1.126 0.000 0.785 28 I N -0.767 119.600 120.570 -0.338 0.000 2.315 28 I HA -0.200 3.971 4.170 0.000 0.000 0.248 28 I C 2.648 178.499 176.117 -0.445 0.000 1.117 28 I CA 1.084 62.059 61.300 -0.543 0.000 1.404 28 I CB -0.556 36.989 38.000 -0.759 0.000 1.071 28 I HN -0.134 nan 8.210 nan 0.000 0.419 29 L N -0.468 120.574 121.223 -0.302 0.000 2.046 29 L HA -0.216 4.124 4.340 0.000 0.000 0.208 29 L C 2.409 179.134 176.870 -0.242 0.000 1.077 29 L CA 1.499 56.169 54.840 -0.284 0.000 0.747 29 L CB -0.462 41.397 42.059 -0.333 0.000 0.896 29 L HN 0.127 nan 8.230 nan 0.000 0.432 30 F N -0.399 119.548 119.950 -0.005 0.000 2.259 30 F HA -0.082 4.446 4.527 0.001 0.000 0.298 30 F C 2.518 178.358 175.800 0.065 0.000 1.088 30 F CA 0.927 58.971 58.000 0.073 0.000 1.358 30 F CB -0.704 38.394 39.000 0.162 0.000 1.040 30 F HN -0.016 nan 8.300 nan 0.000 0.505 31 A N -0.055 122.862 122.820 0.161 0.000 2.019 31 A HA -0.003 4.317 4.320 0.000 0.000 0.219 31 A C 2.325 180.057 177.584 0.247 0.000 1.164 31 A CA 1.305 53.445 52.037 0.172 0.000 0.644 31 A CB -1.138 17.950 19.000 0.146 0.000 0.805 31 A HN 0.257 nan 8.150 nan 0.000 0.449 32 A N -0.160 122.792 122.820 0.220 0.000 2.178 32 A HA -0.001 4.320 4.320 0.000 0.000 0.218 32 A C 1.830 179.522 177.584 0.180 0.000 1.157 32 A CA 1.068 53.255 52.037 0.250 0.000 0.689 32 A CB -0.680 18.416 19.000 0.160 0.000 0.787 32 A HN 0.535 nan 8.150 nan 0.000 0.465 33 I N -0.630 120.054 120.570 0.189 0.000 2.567 33 I HA -0.219 3.951 4.170 0.000 0.000 0.257 33 I C 1.782 178.017 176.117 0.196 0.000 1.184 33 I CA 0.887 62.324 61.300 0.227 0.000 1.451 33 I CB -0.138 38.036 38.000 0.291 0.000 1.089 33 I HN 0.330 nan 8.210 nan 0.000 0.441 34 L N 0.476 121.777 121.223 0.130 0.000 2.418 34 L HA 0.137 4.477 4.340 0.000 0.000 0.218 34 L C 1.390 178.269 176.870 0.016 0.000 1.125 34 L CA -0.331 54.532 54.840 0.039 0.000 0.835 34 L CB -0.366 41.709 42.059 0.026 0.000 0.953 34 L HN 0.095 nan 8.230 nan 0.000 0.454 35 A N 0.300 123.154 122.820 0.056 0.000 2.454 35 A HA 0.258 4.578 4.320 0.000 0.000 0.260 35 A C 1.324 178.932 177.584 0.040 0.000 1.106 35 A CA 0.337 52.391 52.037 0.028 0.000 0.780 35 A CB 0.101 19.133 19.000 0.054 0.000 1.044 35 A HN 0.373 nan 8.150 nan 0.000 0.498 36 T N 0.025 114.586 114.554 0.011 0.000 3.057 36 T HA 0.184 4.535 4.350 0.000 0.000 0.254 36 T C 0.432 175.147 174.700 0.025 0.000 1.094 36 T CA 0.686 62.801 62.100 0.024 0.000 1.088 36 T CB -0.072 68.797 68.868 0.002 0.000 0.934 36 T HN 0.696 nan 8.240 nan 0.000 0.497 37 E N 1.503 121.711 120.200 0.013 0.000 2.281 37 E HA 0.450 4.800 4.350 0.000 0.000 0.262 37 E C -2.894 173.720 176.600 0.023 0.000 0.933 37 E CA -3.028 53.380 56.400 0.013 0.000 0.809 37 E CB 1.461 31.160 29.700 -0.002 0.000 1.242 37 E HN 0.053 nan 8.360 nan 0.000 0.418 38 P HA -0.085 nan 4.420 nan 0.000 0.264 38 P C -1.089 176.239 177.300 0.047 0.000 1.179 38 P CA 0.374 63.496 63.100 0.036 0.000 0.763 38 P CB 0.404 32.121 31.700 0.028 0.000 0.806 39 V N 4.003 123.960 119.914 0.070 0.000 2.656 39 V HA 0.427 4.547 4.120 0.000 0.000 0.307 39 V C -0.010 176.146 176.094 0.102 0.000 1.051 39 V CA -0.450 61.918 62.300 0.114 0.000 0.893 39 V CB 2.011 33.944 31.823 0.183 0.000 0.999 39 V HN 0.407 nan 8.190 nan 0.000 0.426 40 K N 4.981 125.452 120.400 0.119 0.000 2.502 40 K HA 0.680 5.000 4.320 0.000 0.000 0.254 40 K C -1.733 174.933 176.600 0.110 0.000 0.947 40 K CA -0.557 55.783 56.287 0.089 0.000 0.834 40 K CB 1.305 33.845 32.500 0.066 0.000 1.112 40 K HN 0.614 nan 8.250 nan 0.000 0.427 41 L N 3.640 124.907 121.223 0.073 0.000 2.322 41 L HA 0.507 4.847 4.340 0.000 0.000 0.281 41 L C 0.196 177.084 176.870 0.030 0.000 1.014 41 L CA -0.794 54.084 54.840 0.062 0.000 0.815 41 L CB 1.912 43.978 42.059 0.012 0.000 1.247 41 L HN 0.761 nan 8.230 nan 0.000 0.421 42 T N -1.649 112.917 114.554 0.020 0.000 2.926 42 T HA 0.391 4.741 4.350 0.000 0.000 0.289 42 T C 0.326 175.019 174.700 -0.011 0.000 1.054 42 T CA -0.685 61.416 62.100 0.001 0.000 1.015 42 T CB 1.603 70.468 68.868 -0.006 0.000 1.167 42 T HN 0.594 nan 8.240 nan 0.000 0.526 43 N N -0.733 117.963 118.700 -0.007 0.000 2.747 43 N HA -0.144 4.597 4.740 0.000 0.000 0.249 43 N C -0.781 174.727 175.510 -0.002 0.000 1.107 43 N CA 0.613 53.660 53.050 -0.005 0.000 0.707 43 N CB -1.566 36.908 38.487 -0.022 0.000 1.054 43 N HN 0.650 nan 8.380 nan 0.000 0.555 44 V N 2.004 121.919 119.914 0.000 0.000 2.348 44 V HA 0.392 4.512 4.120 0.000 0.000 0.270 44 V C -1.473 174.623 176.094 0.003 0.000 1.037 44 V CA -1.162 61.134 62.300 -0.007 0.000 0.872 44 V CB 1.208 33.021 31.823 -0.017 0.000 1.002 44 V HN 0.171 nan 8.190 nan 0.000 0.464 45 P HA 0.133 nan 4.420 nan 0.000 0.269 45 P C -0.416 176.877 177.300 -0.010 0.000 1.215 45 P CA -0.284 62.819 63.100 0.006 0.000 0.780 45 P CB 0.922 32.619 31.700 -0.005 0.000 0.898 46 E N 2.415 122.601 120.200 -0.024 0.000 1.941 46 E HA 0.321 4.671 4.350 0.000 0.000 0.275 46 E C -0.329 176.230 176.600 -0.067 0.000 1.113 46 E CA -0.197 56.175 56.400 -0.047 0.000 0.878 46 E CB 0.100 29.761 29.700 -0.066 0.000 1.070 46 E HN 0.386 nan 8.360 nan 0.000 0.399 47 L N 2.276 123.476 121.223 -0.037 0.000 2.371 47 L HA 0.292 4.632 4.340 0.000 0.000 0.262 47 L C 1.129 177.992 176.870 -0.012 0.000 1.006 47 L CA -0.963 53.862 54.840 -0.024 0.000 0.818 47 L CB 1.658 43.706 42.059 -0.019 0.000 1.354 47 L HN 0.234 nan 8.230 nan 0.000 0.415 48 K N 0.958 121.358 120.400 -0.001 0.000 2.059 48 K HA -0.218 4.102 4.320 0.000 0.000 0.212 48 K C 1.206 177.809 176.600 0.005 0.000 1.050 48 K CA 2.159 58.446 56.287 0.001 0.000 0.927 48 K CB -0.028 32.478 32.500 0.011 0.000 0.714 48 K HN 0.629 nan 8.250 nan 0.000 0.447 49 D N 0.003 120.413 120.400 0.016 0.000 2.182 49 D HA -0.137 4.504 4.640 0.000 0.000 0.201 49 D C 1.783 178.099 176.300 0.027 0.000 0.986 49 D CA 0.933 54.953 54.000 0.032 0.000 0.847 49 D CB -0.055 40.774 40.800 0.049 0.000 0.942 49 D HN 0.214 nan 8.370 nan 0.000 0.467 50 I N 1.069 121.642 120.570 0.004 0.000 2.252 50 I HA -0.148 4.022 4.170 0.000 0.000 0.245 50 I C 2.218 178.317 176.117 -0.030 0.000 1.102 50 I CA 0.973 62.261 61.300 -0.020 0.000 1.385 50 I CB -0.843 37.141 38.000 -0.026 0.000 1.064 50 I HN -0.022 nan 8.210 nan 0.000 0.414 51 E N 0.746 120.934 120.200 -0.019 0.000 2.058 51 E HA -0.164 4.186 4.350 0.000 0.000 0.194 51 E C 2.216 178.806 176.600 -0.018 0.000 0.997 51 E CA 1.727 58.115 56.400 -0.021 0.000 0.801 51 E CB -0.509 29.182 29.700 -0.016 0.000 0.746 51 E HN 0.409 nan 8.360 nan 0.000 0.450 52 T N 0.790 115.341 114.554 -0.005 0.000 2.759 52 T HA -0.121 4.229 4.350 0.000 0.000 0.269 52 T C 1.926 176.637 174.700 0.018 0.000 1.042 52 T CA 1.835 63.941 62.100 0.009 0.000 1.140 52 T CB -0.411 68.469 68.868 0.021 0.000 0.864 52 T HN 0.191 nan 8.240 nan 0.000 0.455 53 T N 2.219 116.772 114.554 -0.002 0.000 2.708 53 T HA -0.024 4.326 4.350 0.000 0.000 0.266 53 T C 1.873 176.489 174.700 -0.140 0.000 1.037 53 T CA 0.729 62.773 62.100 -0.092 0.000 1.146 53 T CB -0.411 68.326 68.868 -0.220 0.000 0.865 53 T HN 0.074 nan 8.240 nan 0.000 0.435 54 L N 1.149 122.311 121.223 -0.101 0.000 2.042 54 L HA -0.066 4.274 4.340 0.000 0.000 0.210 54 L C 2.353 179.195 176.870 -0.046 0.000 1.076 54 L CA 1.707 56.499 54.840 -0.081 0.000 0.749 54 L CB -0.661 41.364 42.059 -0.056 0.000 0.893 54 L HN 0.211 nan 8.230 nan 0.000 0.432 55 K N -0.665 119.720 120.400 -0.025 0.000 2.063 55 K HA -0.145 4.175 4.320 0.000 0.000 0.208 55 K C 2.092 178.698 176.600 0.011 0.000 1.048 55 K CA 1.372 57.654 56.287 -0.008 0.000 0.928 55 K CB -0.270 32.228 32.500 -0.003 0.000 0.713 55 K HN 0.270 nan 8.250 nan 0.000 0.442 56 I N 0.694 121.284 120.570 0.034 0.000 2.226 56 I HA -0.280 3.890 4.170 0.000 0.000 0.245 56 I C 1.967 178.127 176.117 0.072 0.000 1.100 56 I CA 0.822 62.176 61.300 0.091 0.000 1.374 56 I CB -0.226 37.891 38.000 0.194 0.000 1.057 56 I HN 0.076 nan 8.210 nan 0.000 0.413 57 L N 0.635 121.864 121.223 0.009 0.000 1.994 57 L HA -0.174 4.167 4.340 0.000 0.000 0.208 57 L C 2.628 179.498 176.870 0.000 0.000 1.071 57 L CA 1.772 56.611 54.840 -0.003 0.000 0.745 57 L CB -1.073 40.947 42.059 -0.064 0.000 0.892 57 L HN 0.152 nan 8.230 nan 0.000 0.431 58 R N -0.854 119.638 120.500 -0.014 0.000 2.105 58 R HA -0.213 4.128 4.340 0.000 0.000 0.239 58 R C 2.108 178.392 176.300 -0.026 0.000 1.135 58 R CA 1.203 57.290 56.100 -0.020 0.000 0.967 58 R CB -0.516 29.770 30.300 -0.023 0.000 0.861 58 R HN 0.461 nan 8.270 nan 0.000 0.442 59 Q N 1.220 121.012 119.800 -0.012 0.000 2.364 59 Q HA -0.101 4.239 4.340 0.000 0.000 0.209 59 Q C 1.717 177.717 176.000 0.000 0.000 0.977 59 Q CA 1.148 56.938 55.803 -0.023 0.000 0.885 59 Q CB 0.152 28.898 28.738 0.014 0.000 0.941 59 Q HN 0.432 nan 8.270 nan 0.000 0.464 60 L N -1.650 119.585 121.223 0.020 0.000 2.529 60 L HA 0.167 4.507 4.340 0.000 0.000 0.223 60 L C 1.338 178.143 176.870 -0.107 0.000 1.113 60 L CA 0.673 55.506 54.840 -0.013 0.000 0.861 60 L CB 0.289 42.346 42.059 -0.004 0.000 1.012 60 L HN 0.400 nan 8.230 nan 0.000 0.461 61 G N -0.406 108.350 108.800 -0.073 0.000 2.192 61 G HA2 -0.205 3.756 3.960 0.000 0.000 0.193 61 G HA3 -0.205 3.756 3.960 0.000 0.000 0.193 61 G C 0.167 175.043 174.900 -0.039 0.000 0.999 61 G CA -0.255 44.797 45.100 -0.080 0.000 0.659 61 G HN 0.007 nan 8.290 nan 0.000 0.503 62 V N 1.513 121.416 119.914 -0.018 0.000 2.637 62 V HA 0.432 4.552 4.120 0.000 0.000 0.296 62 V C 0.943 177.035 176.094 -0.003 0.000 1.046 62 V CA -0.301 62.002 62.300 0.006 0.000 1.066 62 V CB 1.702 33.535 31.823 0.017 0.000 0.968 62 V HN 0.227 nan 8.190 nan 0.000 0.483 63 V N 6.166 126.082 119.914 0.004 0.000 2.383 63 V HA 0.579 4.699 4.120 0.000 0.000 0.275 63 V C -0.081 176.014 176.094 0.002 0.000 1.036 63 V CA -0.104 62.196 62.300 -0.000 0.000 0.889 63 V CB 1.436 33.262 31.823 0.004 0.000 0.985 63 V HN 0.654 nan 8.190 nan 0.000 0.459 64 V N 4.672 124.583 119.914 -0.006 0.000 3.048 64 V HA 0.755 4.875 4.120 0.000 0.000 0.303 64 V C -1.803 174.284 176.094 -0.010 0.000 1.214 64 V CA -0.256 62.039 62.300 -0.008 0.000 0.984 64 V CB 2.787 34.599 31.823 -0.019 0.000 1.054 64 V HN 0.999 nan 8.190 nan 0.000 0.430 65 D N 2.475 122.871 120.400 -0.007 0.000 2.648 65 D HA 0.429 5.069 4.640 0.000 0.000 0.244 65 D C -1.409 174.889 176.300 -0.002 0.000 1.244 65 D CA -0.642 53.354 54.000 -0.006 0.000 0.772 65 D CB 1.667 42.466 40.800 -0.002 0.000 1.379 65 D HN 0.738 nan 8.370 nan 0.000 0.428 66 R N 1.286 121.785 120.500 -0.001 0.000 2.312 66 R HA 0.414 4.754 4.340 0.000 0.000 0.311 66 R C -0.849 175.455 176.300 0.008 0.000 1.004 66 R CA -0.527 55.575 56.100 0.004 0.000 0.902 66 R CB 0.651 30.954 30.300 0.005 0.000 1.073 66 R HN 0.565 nan 8.270 nan 0.000 0.457 67 D N 3.201 123.607 120.400 0.010 0.000 2.529 67 D HA 0.184 4.825 4.640 0.000 0.000 0.273 67 D C 0.805 177.113 176.300 0.013 0.000 1.197 67 D CA -0.373 53.633 54.000 0.010 0.000 1.070 67 D CB 0.495 41.301 40.800 0.010 0.000 1.134 67 D HN 0.414 nan 8.370 nan 0.000 0.590 68 A N -0.870 121.957 122.820 0.011 0.000 2.076 68 A HA -0.099 4.222 4.320 0.000 0.000 0.220 68 A C 1.931 179.523 177.584 0.012 0.000 1.160 68 A CA 2.213 54.257 52.037 0.012 0.000 0.653 68 A CB -1.376 17.629 19.000 0.009 0.000 0.801 68 A HN 0.726 nan 8.150 nan 0.000 0.455 69 T N -5.123 109.438 114.554 0.012 0.000 3.081 69 T HA 0.382 4.732 4.350 0.000 0.000 0.255 69 T C 1.502 176.211 174.700 0.015 0.000 1.113 69 T CA 1.152 63.258 62.100 0.011 0.000 1.082 69 T CB 0.134 69.008 68.868 0.010 0.000 0.939 69 T HN 1.619 nan 8.240 nan 0.000 0.506 70 G N 1.144 109.955 108.800 0.018 0.000 2.213 70 G HA2 -0.038 3.922 3.960 0.000 0.000 0.236 70 G HA3 -0.038 3.922 3.960 0.000 0.000 0.236 70 G C 0.386 175.296 174.900 0.017 0.000 0.991 70 G CA -0.108 45.006 45.100 0.023 0.000 0.629 70 G HN 1.163 nan 8.290 nan 0.000 0.517 71 A N -0.140 122.688 122.820 0.014 0.000 2.425 71 A HA 0.628 4.948 4.320 0.000 0.000 0.242 71 A C 0.439 178.030 177.584 0.011 0.000 1.077 71 A CA 0.641 52.686 52.037 0.014 0.000 0.781 71 A CB 0.884 19.893 19.000 0.016 0.000 1.020 71 A HN 1.164 nan 8.150 nan 0.000 0.494 72 V N 3.780 123.700 119.914 0.010 0.000 2.328 72 V HA 0.250 4.371 4.120 0.000 0.000 0.278 72 V C -0.511 175.591 176.094 0.013 0.000 1.021 72 V CA -0.593 61.709 62.300 0.003 0.000 0.838 72 V CB 0.950 32.765 31.823 -0.013 0.000 0.999 72 V HN 0.637 nan 8.190 nan 0.000 0.447 73 L N 6.253 127.484 121.223 0.013 0.000 2.275 73 L HA 0.594 4.934 4.340 0.000 0.000 0.288 73 L C -0.336 176.545 176.870 0.019 0.000 1.046 73 L CA -0.022 54.831 54.840 0.021 0.000 0.805 73 L CB 1.169 43.239 42.059 0.018 0.000 1.193 73 L HN 0.553 nan 8.230 nan 0.000 0.426 74 L N 3.594 124.836 121.223 0.031 0.000 2.410 74 L HA 0.535 4.875 4.340 0.000 0.000 0.270 74 L C -1.162 175.733 176.870 0.043 0.000 0.983 74 L CA -0.276 54.582 54.840 0.031 0.000 0.822 74 L CB 2.348 44.425 42.059 0.030 0.000 1.285 74 L HN 0.510 nan 8.230 nan 0.000 0.409 75 D N 4.032 124.453 120.400 0.036 0.000 2.462 75 D HA 0.452 5.093 4.640 0.000 0.000 0.245 75 D C -0.250 176.080 176.300 0.051 0.000 1.122 75 D CA -0.166 53.859 54.000 0.042 0.000 0.864 75 D CB 2.274 43.092 40.800 0.031 0.000 1.098 75 D HN 0.637 nan 8.370 nan 0.000 0.541 76 A N 2.764 125.628 122.820 0.073 0.000 2.610 76 A HA 0.143 4.463 4.320 0.000 0.000 0.286 76 A C 1.623 179.283 177.584 0.127 0.000 1.306 76 A CA 0.154 52.252 52.037 0.103 0.000 0.942 76 A CB -0.170 18.910 19.000 0.134 0.000 1.112 76 A HN 0.465 nan 8.150 nan 0.000 0.527 77 S N 0.137 115.893 115.700 0.092 0.000 2.402 77 S HA -0.103 4.367 4.470 0.000 0.000 0.229 77 S C 0.652 175.319 174.600 0.111 0.000 1.021 77 S CA 1.383 59.641 58.200 0.096 0.000 0.974 77 S CB -0.393 62.844 63.200 0.061 0.000 0.800 77 S HN 0.495 nan 8.310 nan 0.000 0.484 78 N N 0.895 119.641 118.700 0.076 0.000 2.610 78 N HA 0.447 5.187 4.740 0.000 0.000 0.309 78 N C -1.087 174.420 175.510 -0.005 0.000 1.536 78 N CA -0.166 52.913 53.050 0.049 0.000 0.954 78 N CB 0.359 38.859 38.487 0.022 0.000 1.310 78 N HN 0.416 nan 8.380 nan 0.000 0.502 79 I N 1.709 122.278 120.570 -0.002 0.000 2.587 79 I HA -0.040 4.130 4.170 0.000 0.000 0.284 79 I C 0.606 176.494 176.117 -0.382 0.000 1.134 79 I CA 0.163 61.347 61.300 -0.192 0.000 1.410 79 I CB 0.513 38.388 38.000 -0.208 0.000 1.392 79 I HN 0.398 nan 8.210 nan 0.000 0.545 80 N N 4.913 123.347 118.700 -0.443 0.000 2.160 80 N HA 0.029 4.769 4.740 0.000 0.000 0.226 80 N C -0.181 174.851 175.510 -0.797 0.000 1.256 80 N CA -0.310 52.462 53.050 -0.464 0.000 0.890 80 N CB 0.258 38.640 38.487 -0.174 0.000 1.116 80 N HN 0.585 nan 8.380 nan 0.000 0.517 81 H N -0.446 117.924 119.070 -1.166 0.000 2.637 81 H HA 0.494 5.050 4.556 0.000 0.000 0.363 81 H C -1.335 173.247 175.328 -1.244 0.000 1.131 81 H CA -0.855 54.598 56.048 -0.992 0.000 1.183 81 H CB 0.922 30.425 29.762 -0.432 0.000 1.637 81 H HN -0.061 nan 8.280 nan 0.000 0.531 82 F N 2.216 121.796 119.950 -0.617 0.000 2.835 82 F HA 0.326 4.853 4.527 0.000 0.000 0.342 82 F C -0.112 175.475 175.800 -0.355 0.000 1.202 82 F CA -0.332 57.446 58.000 -0.371 0.000 1.240 82 F CB 0.679 39.534 39.000 -0.241 0.000 1.005 82 F HN 0.307 nan 8.300 nan 0.000 0.507 83 T N 1.183 115.457 114.554 -0.467 0.000 2.881 83 T HA 0.640 4.990 4.350 0.000 0.000 0.291 83 T C -0.206 174.525 174.700 0.051 0.000 0.990 83 T CA -0.603 61.383 62.100 -0.190 0.000 0.976 83 T CB 1.654 70.371 68.868 -0.251 0.000 0.970 83 T HN 0.160 nan 8.240 nan 0.000 0.438 84 A N 6.157 129.056 122.820 0.132 0.000 2.415 84 A HA 0.570 4.891 4.320 0.000 0.000 0.309 84 A C -2.160 175.579 177.584 0.259 0.000 1.356 84 A CA -1.575 50.576 52.037 0.190 0.000 0.998 84 A CB -0.244 18.860 19.000 0.173 0.000 1.145 84 A HN 0.498 nan 8.150 nan 0.000 0.545 85 P HA -0.122 nan 4.420 nan 0.000 0.266 85 P C 0.260 177.718 177.300 0.264 0.000 1.195 85 P CA 0.283 63.568 63.100 0.308 0.000 0.768 85 P CB 0.507 32.334 31.700 0.210 0.000 0.838 86 Y N 3.015 123.424 120.300 0.182 0.000 2.207 86 Y HA -0.284 4.266 4.550 0.000 0.000 0.287 86 Y C 2.481 178.387 175.900 0.010 0.000 1.156 86 Y CA 2.317 60.417 58.100 0.000 0.000 1.182 86 Y CB -0.396 37.994 38.460 -0.116 0.000 0.979 86 Y HN 0.353 nan 8.280 nan 0.000 0.521 87 E N 0.510 120.779 120.200 0.115 0.000 2.147 87 E HA -0.230 4.121 4.350 0.000 0.000 0.199 87 E C 1.793 178.341 176.600 -0.087 0.000 1.005 87 E CA 2.277 58.687 56.400 0.017 0.000 0.810 87 E CB -0.518 29.228 29.700 0.076 0.000 0.736 87 E HN 0.648 nan 8.360 nan 0.000 0.460 88 L N -1.311 119.884 121.223 -0.047 0.000 2.200 88 L HA 0.022 4.362 4.340 0.000 0.000 0.200 88 L C 2.374 179.192 176.870 -0.086 0.000 1.072 88 L CA 0.437 55.251 54.840 -0.044 0.000 0.787 88 L CB -0.244 41.828 42.059 0.022 0.000 0.957 88 L HN -0.012 nan 8.230 nan 0.000 0.459 89 V N 1.420 121.282 119.914 -0.088 0.000 2.568 89 V HA -0.287 3.834 4.120 0.000 0.000 0.253 89 V C 2.478 178.431 176.094 -0.236 0.000 1.072 89 V CA 2.038 64.269 62.300 -0.116 0.000 1.084 89 V CB -0.884 30.900 31.823 -0.066 0.000 0.676 89 V HN 0.580 nan 8.190 nan 0.000 0.469 90 K N 1.251 121.389 120.400 -0.436 0.000 2.362 90 K HA -0.142 4.179 4.320 0.000 0.000 0.200 90 K C 1.601 178.040 176.600 -0.269 0.000 1.046 90 K CA 1.674 57.658 56.287 -0.504 0.000 0.952 90 K CB -0.501 31.452 32.500 -0.911 0.000 0.753 90 K HN 0.603 nan 8.250 nan 0.000 0.466 91 T N -1.943 112.493 114.554 -0.196 0.000 3.069 91 T HA 0.232 4.583 4.350 0.000 0.000 0.252 91 T C 0.426 175.078 174.700 -0.080 0.000 1.053 91 T CA -0.514 61.513 62.100 -0.122 0.000 0.964 91 T CB -0.016 68.791 68.868 -0.101 0.000 1.005 91 T HN 0.269 nan 8.240 nan 0.000 0.532 92 M N 2.081 121.627 119.600 -0.089 0.000 2.380 92 M HA 0.315 4.795 4.480 0.000 0.000 0.202 92 M C 0.562 176.797 176.300 -0.109 0.000 0.975 92 M CA -0.614 54.649 55.300 -0.062 0.000 0.971 92 M CB 1.146 33.748 32.600 0.004 0.000 2.685 92 M HN 0.158 nan 8.290 nan 0.000 0.431 93 R N 1.719 122.130 120.500 -0.148 0.000 2.200 93 R HA -0.011 4.329 4.340 0.000 0.000 0.234 93 R C 1.255 177.355 176.300 -0.332 0.000 1.127 93 R CA 1.753 57.724 56.100 -0.217 0.000 0.989 93 R CB -0.537 29.643 30.300 -0.201 0.000 0.869 93 R HN 0.611 nan 8.270 nan 0.000 0.459 94 A N 1.700 124.333 122.820 -0.311 0.000 2.067 94 A HA -0.127 4.193 4.320 0.000 0.000 0.219 94 A C 2.171 179.448 177.584 -0.510 0.000 1.158 94 A CA 1.267 52.996 52.037 -0.512 0.000 0.661 94 A CB -0.544 18.330 19.000 -0.210 0.000 0.801 94 A HN 0.586 nan 8.150 nan 0.000 0.452 95 S N -0.246 115.251 115.700 -0.339 0.000 2.584 95 S HA -0.048 4.423 4.470 0.000 0.000 0.240 95 S C 1.612 175.855 174.600 -0.596 0.000 0.975 95 S CA 0.718 58.596 58.200 -0.537 0.000 0.949 95 S CB -0.456 62.703 63.200 -0.068 0.000 0.761 95 S HN 0.417 nan 8.310 nan 0.000 0.536 96 I N 0.731 120.990 120.570 -0.517 0.000 2.567 96 I HA -0.039 4.131 4.170 0.000 0.000 0.257 96 I C 1.170 177.107 176.117 -0.300 0.000 1.184 96 I CA 0.798 61.850 61.300 -0.414 0.000 1.451 96 I CB -0.841 36.819 38.000 -0.566 0.000 1.089 96 I HN 0.466 nan 8.210 nan 0.000 0.441 97 W N 0.825 121.844 121.300 -0.469 0.000 2.848 97 W HA 0.032 4.692 4.660 0.000 0.000 0.241 97 W C 2.322 178.644 176.519 -0.327 0.000 1.289 97 W CA 0.729 57.870 57.345 -0.341 0.000 1.396 97 W CB -1.088 28.200 29.460 -0.287 0.000 1.138 97 W HN 0.234 nan 8.180 nan 0.000 0.677 98 A N -0.223 122.434 122.820 -0.272 0.000 2.016 98 A HA -0.081 4.239 4.320 0.000 0.000 0.217 98 A C 1.965 179.641 177.584 0.154 0.000 1.162 98 A CA 0.867 52.947 52.037 0.073 0.000 0.662 98 A CB -0.566 18.505 19.000 0.118 0.000 0.812 98 A HN 0.142 nan 8.150 nan 0.000 0.450 99 L N 0.034 121.315 121.223 0.097 0.000 1.994 99 L HA -0.071 4.269 4.340 0.000 0.000 0.208 99 L C 2.692 179.652 176.870 0.149 0.000 1.071 99 L CA 2.199 57.113 54.840 0.122 0.000 0.745 99 L CB -0.910 41.201 42.059 0.087 0.000 0.892 99 L HN 0.341 nan 8.230 nan 0.000 0.431 100 A N 0.019 122.935 122.820 0.161 0.000 1.859 100 A HA -0.162 4.158 4.320 0.000 0.000 0.217 100 A C 0.146 177.815 177.584 0.142 0.000 1.198 100 A CA 2.263 54.388 52.037 0.147 0.000 0.629 100 A CB -2.185 16.911 19.000 0.160 0.000 0.830 100 A HN 0.455 nan 8.150 nan 0.000 0.446 101 P HA -0.128 nan 4.420 nan 0.000 0.215 101 P C 1.551 178.970 177.300 0.198 0.000 1.157 101 P CA 0.917 64.117 63.100 0.166 0.000 0.868 101 P CB -0.187 31.641 31.700 0.214 0.000 0.788 102 L N -1.054 120.340 121.223 0.285 0.000 2.012 102 L HA -0.183 4.157 4.340 0.000 0.000 0.210 102 L C 2.363 179.419 176.870 0.309 0.000 1.073 102 L CA 1.568 56.658 54.840 0.417 0.000 0.748 102 L CB -1.213 41.069 42.059 0.371 0.000 0.891 102 L HN -0.115 nan 8.230 nan 0.000 0.431 103 V N -0.206 119.826 119.914 0.195 0.000 2.358 103 V HA -0.249 3.871 4.120 0.000 0.000 0.246 103 V C 2.753 178.933 176.094 0.142 0.000 1.047 103 V CA 1.666 64.053 62.300 0.145 0.000 1.035 103 V CB -1.065 30.815 31.823 0.094 0.000 0.658 103 V HN 0.468 nan 8.190 nan 0.000 0.452 104 A N 0.273 123.154 122.820 0.101 0.000 1.865 104 A HA -0.282 4.038 4.320 0.000 0.000 0.217 104 A C 2.456 180.079 177.584 0.066 0.000 1.191 104 A CA 2.416 54.493 52.037 0.066 0.000 0.623 104 A CB -0.534 18.489 19.000 0.037 0.000 0.826 104 A HN 0.491 nan 8.150 nan 0.000 0.444 105 R N -2.255 118.199 120.500 -0.076 0.000 2.080 105 R HA 0.047 4.388 4.340 0.000 0.000 0.222 105 R C 1.158 177.102 176.300 -0.593 0.000 1.107 105 R CA 1.290 57.154 56.100 -0.392 0.000 0.980 105 R CB -0.121 29.751 30.300 -0.713 0.000 0.879 105 R HN 0.471 nan 8.270 nan 0.000 0.439 106 F N -0.713 119.230 119.950 -0.011 0.000 2.721 106 F HA 0.281 4.808 4.527 0.000 0.000 0.301 106 F C 0.148 175.823 175.800 -0.209 0.000 1.096 106 F CA 0.204 58.083 58.000 -0.202 0.000 1.308 106 F CB 0.124 38.989 39.000 -0.224 0.000 1.086 106 F HN 0.156 nan 8.300 nan 0.000 0.587 107 H N 0.007 119.075 119.070 -0.004 0.000 3.080 107 H HA -0.203 4.354 4.556 0.001 0.000 0.254 107 H C 0.027 175.324 175.328 -0.052 0.000 1.179 107 H CA 0.469 56.498 56.048 -0.033 0.000 1.144 107 H CB -1.692 28.042 29.762 -0.046 0.000 1.261 107 H HN 0.527 nan 8.280 nan 0.000 0.333 108 Q N -0.686 119.149 119.800 0.058 0.000 2.545 108 Q HA 0.672 5.012 4.340 0.000 0.000 0.273 108 Q C -0.807 175.216 176.000 0.038 0.000 0.975 108 Q CA -0.630 55.166 55.803 -0.012 0.000 0.876 108 Q CB 2.640 31.300 28.738 -0.131 0.000 1.472 108 Q HN 0.233 nan 8.270 nan 0.000 0.389 109 G N 0.990 109.827 108.800 0.061 0.000 2.632 109 G HA2 0.538 4.499 3.960 0.000 0.000 0.292 109 G HA3 0.538 4.499 3.960 0.000 0.000 0.292 109 G C -1.975 172.966 174.900 0.068 0.000 1.465 109 G CA -0.616 44.549 45.100 0.108 0.000 0.824 109 G HN 0.469 nan 8.290 nan 0.000 0.509 110 Q N -0.407 119.430 119.800 0.062 0.000 2.289 110 Q HA 0.627 4.967 4.340 0.000 0.000 0.270 110 Q C -1.398 174.690 176.000 0.145 0.000 1.038 110 Q CA -0.854 54.981 55.803 0.053 0.000 0.812 110 Q CB 3.347 32.014 28.738 -0.118 0.000 1.300 110 Q HN 0.445 nan 8.270 nan 0.000 0.427 111 V N 1.259 121.321 119.914 0.246 0.000 2.808 111 V HA 0.363 4.483 4.120 0.000 0.000 0.308 111 V C -0.278 175.980 176.094 0.272 0.000 1.099 111 V CA -0.909 61.540 62.300 0.248 0.000 0.920 111 V CB 2.206 34.077 31.823 0.079 0.000 1.014 111 V HN 0.911 nan 8.190 nan 0.000 0.425 112 S N 4.481 120.270 115.700 0.148 0.000 2.564 112 S HA 0.579 5.050 4.470 0.000 0.000 0.278 112 S C -0.135 174.418 174.600 -0.079 0.000 1.333 112 S CA -0.546 57.549 58.200 -0.175 0.000 1.048 112 S CB 0.429 63.469 63.200 -0.267 0.000 0.900 112 S HN 0.537 nan 8.310 nan 0.000 0.505 113 L N 3.488 124.659 121.223 -0.086 0.000 2.483 113 L HA 0.249 4.589 4.340 0.000 0.000 0.275 113 L C -1.376 175.457 176.870 -0.062 0.000 1.220 113 L CA -1.414 53.386 54.840 -0.067 0.000 0.833 113 L CB -0.146 41.881 42.059 -0.053 0.000 1.102 113 L HN 0.595 nan 8.230 nan 0.000 0.490 114 P HA 0.124 nan 4.420 nan 0.000 0.272 114 P C -0.304 176.968 177.300 -0.047 0.000 1.230 114 P CA -0.315 62.733 63.100 -0.087 0.000 0.788 114 P CB 0.922 32.553 31.700 -0.116 0.000 0.949 115 G N 0.273 109.047 108.800 -0.044 0.000 2.671 115 G HA2 0.556 4.516 3.960 0.000 0.000 0.275 115 G HA3 0.556 4.516 3.960 0.000 0.000 0.275 115 G C -0.100 174.783 174.900 -0.028 0.000 1.368 115 G CA -0.680 44.409 45.100 -0.019 0.000 1.044 115 G HN 0.617 nan 8.290 nan 0.000 0.543 116 G N -1.955 106.835 108.800 -0.017 0.000 2.483 116 G HA2 0.414 4.374 3.960 0.000 0.000 0.248 116 G HA3 0.414 4.374 3.960 0.000 0.000 0.248 116 G C -0.486 174.397 174.900 -0.028 0.000 1.248 116 G CA 0.075 45.164 45.100 -0.018 0.000 0.838 116 G HN 0.797 nan 8.290 nan 0.000 0.566 117 C N 1.714 120.994 119.300 -0.034 0.000 2.498 117 C HA 0.604 5.064 4.460 0.000 0.000 0.316 117 C C 1.882 176.840 174.990 -0.053 0.000 1.209 117 C CA 0.051 59.036 59.018 -0.055 0.000 1.518 117 C CB 1.044 28.731 27.740 -0.087 0.000 2.147 117 C HN 0.979 nan 8.230 nan 0.000 0.483 118 S N 3.941 119.607 115.700 -0.055 0.000 2.423 118 S HA -0.172 4.298 4.470 0.000 0.000 0.231 118 S C 1.396 175.953 174.600 -0.072 0.000 1.014 118 S CA 1.660 59.831 58.200 -0.049 0.000 0.965 118 S CB -0.534 62.643 63.200 -0.039 0.000 0.785 118 S HN 0.973 nan 8.310 nan 0.000 0.495 119 I N -1.606 118.883 120.570 -0.134 0.000 3.059 119 I HA 0.514 4.685 4.170 0.000 0.000 0.270 119 I C 1.041 177.100 176.117 -0.097 0.000 1.238 119 I CA 0.235 61.434 61.300 -0.168 0.000 1.478 119 I CB -0.421 37.369 38.000 -0.349 0.000 1.097 119 I HN 0.462 nan 8.210 nan 0.000 0.455 120 G N 0.735 109.499 108.800 -0.060 0.000 2.324 120 G HA2 0.482 4.442 3.960 0.000 0.000 0.293 120 G HA3 0.482 4.442 3.960 0.000 0.000 0.293 120 G C -1.466 173.474 174.900 0.065 0.000 1.297 120 G CA -0.418 44.720 45.100 0.064 0.000 0.853 120 G HN 0.376 nan 8.290 nan 0.000 0.535 121 A N -0.068 122.811 122.820 0.099 0.000 2.440 121 A HA 0.659 4.980 4.320 0.000 0.000 0.251 121 A C 0.514 178.158 177.584 0.100 0.000 1.089 121 A CA 0.052 52.130 52.037 0.068 0.000 0.779 121 A CB 0.227 19.258 19.000 0.052 0.000 1.022 121 A HN 0.556 nan 8.150 nan 0.000 0.492 122 R N 2.525 123.053 120.500 0.047 0.000 2.795 122 R HA 0.251 4.591 4.340 0.000 0.000 0.320 122 R C -2.740 173.557 176.300 -0.004 0.000 1.223 122 R CA -1.338 54.788 56.100 0.043 0.000 1.305 122 R CB 0.025 30.320 30.300 -0.007 0.000 1.318 122 R HN 0.657 nan 8.270 nan 0.000 0.636 123 P HA 0.080 nan 4.420 nan 0.000 0.272 123 P C 0.702 177.996 177.300 -0.011 0.000 1.240 123 P CA -0.109 62.986 63.100 -0.008 0.000 0.791 123 P CB 1.191 32.898 31.700 0.010 0.000 0.978 124 V N -2.854 117.040 119.914 -0.033 0.000 3.070 124 V HA 0.097 4.218 4.120 0.000 0.000 0.345 124 V C 1.375 177.520 176.094 0.086 0.000 1.403 124 V CA 0.141 62.422 62.300 -0.032 0.000 1.155 124 V CB -0.554 31.099 31.823 -0.283 0.000 1.140 124 V HN 0.517 nan 8.190 nan 0.000 0.505 125 D N 1.567 122.008 120.400 0.068 0.000 2.158 125 D HA -0.262 4.379 4.640 0.000 0.000 0.197 125 D C 1.721 178.070 176.300 0.082 0.000 0.995 125 D CA 1.696 55.733 54.000 0.061 0.000 0.846 125 D CB -0.092 40.731 40.800 0.038 0.000 0.941 125 D HN 0.552 nan 8.370 nan 0.000 0.456 126 L N -0.230 121.055 121.223 0.104 0.000 2.217 126 L HA -0.077 4.263 4.340 0.000 0.000 0.211 126 L C 2.781 179.685 176.870 0.057 0.000 1.107 126 L CA 0.754 55.629 54.840 0.058 0.000 0.783 126 L CB -0.604 41.467 42.059 0.020 0.000 0.919 126 L HN 0.111 nan 8.230 nan 0.000 0.442 127 H N 0.120 119.200 119.070 0.018 0.000 2.299 127 H HA -0.085 4.471 4.556 0.000 0.000 0.302 127 H C 2.471 177.815 175.328 0.027 0.000 1.078 127 H CA 1.653 57.719 56.048 0.030 0.000 1.323 127 H CB 0.143 29.914 29.762 0.015 0.000 1.381 127 H HN 0.286 nan 8.280 nan 0.000 0.498 128 I N 0.195 120.863 120.570 0.164 0.000 2.163 128 I HA -0.286 3.884 4.170 0.000 0.000 0.243 128 I C 2.873 179.028 176.117 0.063 0.000 1.085 128 I CA 0.993 62.347 61.300 0.090 0.000 1.347 128 I CB -0.301 37.736 38.000 0.061 0.000 1.044 128 I HN 0.139 nan 8.210 nan 0.000 0.408 129 S N 0.724 116.457 115.700 0.054 0.000 2.359 129 S HA -0.159 4.311 4.470 0.000 0.000 0.224 129 S C 2.127 176.742 174.600 0.026 0.000 1.035 129 S CA 1.751 59.971 58.200 0.033 0.000 1.018 129 S CB -0.708 62.508 63.200 0.027 0.000 0.876 129 S HN 0.580 nan 8.310 nan 0.000 0.448 130 G N 1.365 110.180 108.800 0.026 0.000 2.440 130 G HA2 -0.131 3.830 3.960 0.000 0.000 0.218 130 G HA3 -0.131 3.830 3.960 0.000 0.000 0.218 130 G C 1.418 176.331 174.900 0.021 0.000 1.154 130 G CA 0.912 46.021 45.100 0.015 0.000 0.767 130 G HN 0.520 nan 8.290 nan 0.000 0.552 131 L N -0.026 121.220 121.223 0.038 0.000 2.093 131 L HA -0.027 4.313 4.340 0.000 0.000 0.208 131 L C 2.885 179.768 176.870 0.021 0.000 1.085 131 L CA 1.122 55.984 54.840 0.037 0.000 0.755 131 L CB -0.407 41.686 42.059 0.057 0.000 0.904 131 L HN 0.292 nan 8.230 nan 0.000 0.435 132 E N 0.137 120.350 120.200 0.021 0.000 2.077 132 E HA -0.239 4.111 4.350 0.000 0.000 0.193 132 E C 2.120 178.722 176.600 0.004 0.000 0.989 132 E CA 1.026 57.433 56.400 0.011 0.000 0.800 132 E CB 0.034 29.742 29.700 0.014 0.000 0.746 132 E HN 0.226 nan 8.360 nan 0.000 0.452 133 K N 0.791 121.194 120.400 0.005 0.000 2.103 133 K HA -0.088 4.233 4.320 0.000 0.000 0.207 133 K C 1.783 178.380 176.600 -0.005 0.000 1.048 133 K CA 0.806 57.093 56.287 0.000 0.000 0.930 133 K CB -0.127 32.374 32.500 0.002 0.000 0.716 133 K HN 0.090 nan 8.250 nan 0.000 0.444 134 L N -1.085 120.136 121.223 -0.004 0.000 2.622 134 L HA 0.044 4.385 4.340 0.000 0.000 0.233 134 L C 1.070 177.927 176.870 -0.023 0.000 1.156 134 L CA 0.627 55.461 54.840 -0.011 0.000 0.866 134 L CB -0.125 41.930 42.059 -0.007 0.000 0.980 134 L HN 0.528 nan 8.230 nan 0.000 0.448 135 G N -0.781 108.007 108.800 -0.020 0.000 2.184 135 G HA2 -0.204 3.757 3.960 0.000 0.000 0.206 135 G HA3 -0.204 3.757 3.960 0.000 0.000 0.206 135 G C 0.349 175.229 174.900 -0.033 0.000 0.995 135 G CA -0.181 44.900 45.100 -0.031 0.000 0.651 135 G HN 0.433 nan 8.290 nan 0.000 0.511 136 A N 0.667 123.475 122.820 -0.021 0.000 2.440 136 A HA 0.533 4.854 4.320 0.000 0.000 0.251 136 A C -0.009 177.572 177.584 -0.005 0.000 1.089 136 A CA 0.128 52.156 52.037 -0.014 0.000 0.779 136 A CB 0.318 19.321 19.000 0.005 0.000 1.022 136 A HN 0.249 nan 8.150 nan 0.000 0.492 137 D N 1.868 122.265 120.400 -0.005 0.000 2.280 137 D HA 0.462 5.103 4.640 0.000 0.000 0.243 137 D C -0.776 175.530 176.300 0.011 0.000 1.129 137 D CA 0.347 54.348 54.000 0.001 0.000 0.848 137 D CB 1.335 42.133 40.800 -0.003 0.000 1.107 137 D HN 0.246 nan 8.370 nan 0.000 0.471 138 I N 1.848 122.427 120.570 0.016 0.000 2.465 138 I HA 0.267 4.437 4.170 0.000 0.000 0.291 138 I C -0.216 175.915 176.117 0.024 0.000 1.014 138 I CA -0.969 60.346 61.300 0.024 0.000 1.093 138 I CB 2.170 40.188 38.000 0.031 0.000 1.267 138 I HN 0.025 nan 8.210 nan 0.000 0.431 139 V N 7.122 127.054 119.914 0.029 0.000 2.735 139 V HA 0.596 4.716 4.120 0.000 0.000 0.310 139 V C -1.134 174.984 176.094 0.040 0.000 1.061 139 V CA -0.641 61.676 62.300 0.028 0.000 0.913 139 V CB 2.270 34.108 31.823 0.024 0.000 1.005 139 V HN 0.521 nan 8.190 nan 0.000 0.428 140 L N 6.817 128.061 121.223 0.036 0.000 2.276 140 L HA 0.670 5.010 4.340 0.000 0.000 0.286 140 L C -0.386 176.510 176.870 0.043 0.000 1.024 140 L CA -0.311 54.555 54.840 0.043 0.000 0.826 140 L CB 1.215 43.290 42.059 0.026 0.000 1.211 140 L HN 0.809 nan 8.230 nan 0.000 0.422 141 E N 2.586 122.827 120.200 0.069 0.000 2.290 141 E HA 0.358 4.708 4.350 0.000 0.000 0.274 141 E C -0.797 175.866 176.600 0.104 0.000 0.889 141 E CA -0.842 55.596 56.400 0.064 0.000 0.760 141 E CB 1.740 31.472 29.700 0.052 0.000 1.206 141 E HN 0.546 nan 8.360 nan 0.000 0.419 142 E N 1.305 121.542 120.200 0.063 0.000 2.637 142 E HA -0.292 4.058 4.350 0.000 0.000 0.265 142 E C 0.648 177.252 176.600 0.007 0.000 1.073 142 E CA 0.579 57.017 56.400 0.064 0.000 0.778 142 E CB -1.791 27.991 29.700 0.137 0.000 1.362 142 E HN 1.234 nan 8.360 nan 0.000 0.413 143 G N -1.050 107.716 108.800 -0.057 0.000 2.162 143 G HA2 -0.362 3.598 3.960 0.000 0.000 0.260 143 G HA3 -0.362 3.598 3.960 0.000 0.000 0.260 143 G C -0.169 174.579 174.900 -0.254 0.000 0.976 143 G CA 0.753 45.742 45.100 -0.185 0.000 0.655 143 G HN 0.368 nan 8.290 nan 0.000 0.533 144 Y N -1.113 119.187 120.300 -0.000 0.000 2.446 144 Y HA 0.574 5.124 4.550 0.001 0.000 0.338 144 Y C 0.456 176.363 175.900 0.010 0.000 1.055 144 Y CA -1.084 57.026 58.100 0.017 0.000 1.101 144 Y CB 2.297 40.770 38.460 0.022 0.000 1.221 144 Y HN 0.038 nan 8.280 nan 0.000 0.460 145 V N 3.973 124.007 119.914 0.199 0.000 2.348 145 V HA 0.279 4.399 4.120 0.000 0.000 0.270 145 V C -0.589 175.578 176.094 0.122 0.000 1.037 145 V CA -1.004 61.364 62.300 0.113 0.000 0.872 145 V CB 0.574 32.436 31.823 0.066 0.000 1.002 145 V HN 0.615 nan 8.190 nan 0.000 0.464 146 K N 4.326 124.779 120.400 0.089 0.000 2.367 146 K HA 0.751 5.071 4.320 0.000 0.000 0.263 146 K C -0.205 176.421 176.600 0.044 0.000 1.000 146 K CA -0.229 56.093 56.287 0.058 0.000 0.891 146 K CB 2.047 34.570 32.500 0.038 0.000 1.117 146 K HN 0.730 nan 8.250 nan 0.000 0.443 147 A N 3.236 126.083 122.820 0.045 0.000 2.306 147 A HA 0.550 4.870 4.320 0.000 0.000 0.330 147 A C -0.749 176.851 177.584 0.027 0.000 1.146 147 A CA -0.426 51.634 52.037 0.039 0.000 0.827 147 A CB 1.245 20.276 19.000 0.053 0.000 1.178 147 A HN 0.716 nan 8.150 nan 0.000 0.490 148 Q N 0.097 119.906 119.800 0.016 0.000 2.438 148 Q HA 0.532 4.872 4.340 0.000 0.000 0.272 148 Q C -2.402 173.592 176.000 -0.010 0.000 0.994 148 Q CA -0.373 55.434 55.803 0.008 0.000 0.887 148 Q CB 2.278 31.017 28.738 0.002 0.000 1.432 148 Q HN 1.140 nan 8.270 nan 0.000 0.392 149 V N 3.235 123.134 119.914 -0.024 0.000 2.612 149 V HA 0.369 4.490 4.120 0.000 0.000 0.301 149 V C -0.052 175.990 176.094 -0.087 0.000 1.059 149 V CA -0.090 62.160 62.300 -0.084 0.000 0.886 149 V CB 2.162 33.886 31.823 -0.165 0.000 1.007 149 V HN 0.980 nan 8.190 nan 0.000 0.426 150 S N 4.361 120.028 115.700 -0.056 0.000 2.500 150 S HA -0.004 4.466 4.470 0.000 0.000 0.239 150 S C 0.424 175.011 174.600 -0.022 0.000 0.989 150 S CA 1.291 59.481 58.200 -0.017 0.000 0.951 150 S CB -0.237 62.955 63.200 -0.013 0.000 0.759 150 S HN 0.886 nan 8.310 nan 0.000 0.523 151 D N -0.689 119.622 120.400 -0.149 0.000 2.677 151 D HA 0.168 4.808 4.640 0.000 0.000 0.298 151 D C -0.654 175.346 176.300 -0.499 0.000 1.250 151 D CA -0.744 53.149 54.000 -0.178 0.000 0.888 151 D CB 1.217 41.972 40.800 -0.075 0.000 1.397 151 D HN -0.079 nan 8.370 nan 0.000 0.461 152 R N 1.145 121.463 120.500 -0.304 0.000 2.638 152 R HA 0.121 4.461 4.340 0.000 0.000 0.268 152 R C 0.170 176.344 176.300 -0.211 0.000 1.006 152 R CA -0.092 55.852 56.100 -0.261 0.000 1.088 152 R CB 0.203 30.483 30.300 -0.034 0.000 0.950 152 R HN 0.346 nan 8.270 nan 0.000 0.419 153 L N 3.154 124.270 121.223 -0.178 0.000 2.483 153 L HA 0.048 4.388 4.340 0.000 0.000 0.277 153 L C -0.155 176.675 176.870 -0.067 0.000 1.248 153 L CA -0.053 54.722 54.840 -0.108 0.000 0.825 153 L CB 0.559 42.578 42.059 -0.067 0.000 1.096 153 L HN 0.403 nan 8.230 nan 0.000 0.512 154 V N 1.015 120.900 119.914 -0.049 0.000 2.407 154 V HA 0.336 4.456 4.120 0.000 0.000 0.291 154 V C 0.678 176.758 176.094 -0.023 0.000 1.018 154 V CA -0.722 61.557 62.300 -0.034 0.000 0.842 154 V CB 1.201 33.004 31.823 -0.033 0.000 0.996 154 V HN 0.892 nan 8.190 nan 0.000 0.426 155 G N 2.818 111.607 108.800 -0.019 0.000 2.562 155 G HA2 0.424 4.384 3.960 0.000 0.000 0.233 155 G HA3 0.424 4.384 3.960 0.000 0.000 0.233 155 G C -0.007 174.887 174.900 -0.011 0.000 1.266 155 G CA 0.775 45.867 45.100 -0.013 0.000 0.852 155 G HN 0.870 nan 8.290 nan 0.000 0.581 156 T N -0.252 114.298 114.554 -0.008 0.000 2.686 156 T HA 0.376 4.726 4.350 0.000 0.000 0.308 156 T C -0.970 173.728 174.700 -0.003 0.000 1.667 156 T CA -0.820 61.276 62.100 -0.006 0.000 0.987 156 T CB 1.046 69.910 68.868 -0.007 0.000 1.652 156 T HN 0.669 nan 8.240 nan 0.000 0.496 157 R N 2.158 122.657 120.500 -0.002 0.000 2.265 157 R HA 0.626 4.967 4.340 0.000 0.000 0.314 157 R C -0.894 175.408 176.300 0.002 0.000 1.053 157 R CA -0.314 55.787 56.100 0.001 0.000 0.931 157 R CB 0.070 30.371 30.300 0.002 0.000 1.024 157 R HN 0.568 nan 8.270 nan 0.000 0.457 158 I N 4.619 125.191 120.570 0.003 0.000 2.418 158 I HA 0.226 4.396 4.170 0.000 0.000 0.287 158 I C -0.543 175.576 176.117 0.003 0.000 1.008 158 I CA -0.988 60.313 61.300 0.002 0.000 1.104 158 I CB 2.260 40.260 38.000 -0.000 0.000 1.264 158 I HN 0.238 nan 8.210 nan 0.000 0.438 159 V N 7.362 127.278 119.914 0.003 0.000 2.294 159 V HA 0.341 4.461 4.120 0.000 0.000 0.272 159 V C 0.418 176.511 176.094 -0.001 0.000 1.027 159 V CA -0.490 61.812 62.300 0.003 0.000 0.823 159 V CB 0.881 32.706 31.823 0.004 0.000 1.030 159 V HN 0.497 nan 8.190 nan 0.000 0.457 160 I N 3.396 123.963 120.570 -0.004 0.000 2.598 160 I HA 0.017 4.188 4.170 0.000 0.000 0.284 160 I C 1.714 177.826 176.117 -0.008 0.000 1.140 160 I CA 0.333 61.628 61.300 -0.009 0.000 1.420 160 I CB 0.534 38.524 38.000 -0.017 0.000 1.387 160 I HN 0.736 nan 8.210 nan 0.000 0.553 161 E N 6.702 126.899 120.200 -0.006 0.000 2.147 161 E HA -0.218 4.132 4.350 0.000 0.000 0.199 161 E C 0.213 176.807 176.600 -0.010 0.000 1.005 161 E CA 1.497 57.893 56.400 -0.006 0.000 0.810 161 E CB 0.327 30.026 29.700 -0.003 0.000 0.736 161 E HN 0.698 nan 8.360 nan 0.000 0.460 162 K N -1.781 118.610 120.400 -0.014 0.000 2.522 162 K HA 0.393 4.713 4.320 0.000 0.000 0.275 162 K C -0.940 175.646 176.600 -0.023 0.000 1.006 162 K CA -0.876 55.398 56.287 -0.020 0.000 0.890 162 K CB 1.710 34.194 32.500 -0.027 0.000 1.475 162 K HN -0.210 nan 8.250 nan 0.000 0.441 163 V N 1.720 121.618 119.914 -0.027 0.000 2.421 163 V HA 0.118 4.239 4.120 0.000 0.000 0.271 163 V C -0.259 175.820 176.094 -0.025 0.000 1.031 163 V CA 0.137 62.422 62.300 -0.024 0.000 1.032 163 V CB 0.351 32.160 31.823 -0.023 0.000 1.009 163 V HN 0.732 nan 8.190 nan 0.000 0.477 164 S N 4.309 120.001 115.700 -0.014 0.000 2.707 164 S HA 0.403 4.873 4.470 0.000 0.000 0.303 164 S C 0.578 175.194 174.600 0.026 0.000 1.132 164 S CA -0.645 57.555 58.200 -0.000 0.000 1.046 164 S CB 1.870 65.062 63.200 -0.013 0.000 1.004 164 S HN 0.325 nan 8.310 nan 0.000 0.483 165 V N 5.441 125.397 119.914 0.071 0.000 2.358 165 V HA -0.004 4.116 4.120 0.000 0.000 0.246 165 V C 2.594 178.822 176.094 0.225 0.000 1.047 165 V CA 2.542 64.917 62.300 0.125 0.000 1.035 165 V CB -1.146 30.770 31.823 0.154 0.000 0.658 165 V HN 0.941 nan 8.190 nan 0.000 0.452 166 G N -0.379 108.579 108.800 0.264 0.000 2.433 166 G HA2 -0.207 3.753 3.960 0.000 0.000 0.216 166 G HA3 -0.207 3.753 3.960 0.000 0.000 0.216 166 G C 1.769 176.706 174.900 0.062 0.000 1.186 166 G CA 1.020 46.371 45.100 0.418 0.000 0.779 166 G HN 0.600 nan 8.290 nan 0.000 0.543 167 A N 0.015 122.577 122.820 -0.429 0.000 1.972 167 A HA 0.022 4.342 4.320 0.000 0.000 0.219 167 A C 2.507 179.966 177.584 -0.208 0.000 1.169 167 A CA 2.377 54.011 52.037 -0.672 0.000 0.635 167 A CB -0.844 17.908 19.000 -0.413 0.000 0.810 167 A HN 0.306 nan 8.150 nan 0.000 0.446 168 T N 0.378 114.888 114.554 -0.073 0.000 2.746 168 T HA -0.089 4.261 4.350 0.000 0.000 0.267 168 T C 1.802 176.496 174.700 -0.010 0.000 1.039 168 T CA 1.483 63.567 62.100 -0.027 0.000 1.142 168 T CB -0.337 68.528 68.868 -0.006 0.000 0.866 168 T HN 0.373 nan 8.240 nan 0.000 0.444 169 L N 0.521 121.763 121.223 0.032 0.000 2.056 169 L HA -0.086 4.255 4.340 0.000 0.000 0.207 169 L C 2.901 179.768 176.870 -0.006 0.000 1.078 169 L CA 0.929 55.745 54.840 -0.039 0.000 0.749 169 L CB -0.489 41.466 42.059 -0.174 0.000 0.901 169 L HN 0.217 nan 8.230 nan 0.000 0.433 170 S N 0.115 115.903 115.700 0.147 0.000 2.353 170 S HA -0.165 4.305 4.470 0.000 0.000 0.222 170 S C 1.930 176.579 174.600 0.082 0.000 1.035 170 S CA 1.459 59.779 58.200 0.200 0.000 1.025 170 S CB -0.282 63.093 63.200 0.292 0.000 0.902 170 S HN 0.281 nan 8.310 nan 0.000 0.440 171 I N 1.127 121.712 120.570 0.025 0.000 2.226 171 I HA -0.218 3.953 4.170 0.000 0.000 0.245 171 I C 2.520 178.642 176.117 0.009 0.000 1.100 171 I CA 1.200 62.508 61.300 0.013 0.000 1.374 171 I CB -0.335 37.659 38.000 -0.009 0.000 1.057 171 I HN 0.325 nan 8.210 nan 0.000 0.413 172 M N 0.368 119.967 119.600 -0.002 0.000 2.117 172 M HA -0.262 4.219 4.480 0.000 0.000 0.262 172 M C 2.459 178.756 176.300 -0.004 0.000 1.065 172 M CA 1.943 57.238 55.300 -0.009 0.000 1.114 172 M CB -0.023 32.563 32.600 -0.023 0.000 1.361 172 M HN 0.159 nan 8.290 nan 0.000 0.408 173 M N -0.313 119.287 119.600 -0.000 0.000 2.065 173 M HA -0.199 4.281 4.480 0.000 0.000 0.259 173 M C 2.296 178.612 176.300 0.027 0.000 1.069 173 M CA 2.029 57.338 55.300 0.016 0.000 1.110 173 M CB -0.566 32.053 32.600 0.031 0.000 1.328 173 M HN 0.510 nan 8.290 nan 0.000 0.405 174 A N 0.015 122.857 122.820 0.037 0.000 1.969 174 A HA -0.012 4.309 4.320 0.000 0.000 0.218 174 A C 2.302 179.893 177.584 0.013 0.000 1.169 174 A CA 1.687 53.744 52.037 0.033 0.000 0.635 174 A CB -0.866 18.159 19.000 0.042 0.000 0.810 174 A HN 0.528 nan 8.150 nan 0.000 0.445 175 A N 0.096 122.921 122.820 0.007 0.000 1.978 175 A HA -0.130 4.190 4.320 0.000 0.000 0.220 175 A C 2.402 179.982 177.584 -0.007 0.000 1.170 175 A CA 2.477 54.514 52.037 -0.001 0.000 0.636 175 A CB -1.530 17.469 19.000 -0.002 0.000 0.810 175 A HN 0.833 nan 8.150 nan 0.000 0.448 176 T N -1.683 112.866 114.554 -0.007 0.000 2.778 176 T HA -0.118 4.233 4.350 0.000 0.000 0.269 176 T C 1.276 175.964 174.700 -0.020 0.000 1.050 176 T CA 1.678 63.768 62.100 -0.016 0.000 1.137 176 T CB -0.395 68.461 68.868 -0.020 0.000 0.860 176 T HN 0.334 nan 8.240 nan 0.000 0.468 177 L N 0.444 121.658 121.223 -0.015 0.000 2.910 177 L HA 0.561 4.901 4.340 0.000 0.000 0.252 177 L C 1.178 178.041 176.870 -0.011 0.000 1.195 177 L CA -0.595 54.236 54.840 -0.016 0.000 1.003 177 L CB -0.153 41.894 42.059 -0.020 0.000 1.328 177 L HN 0.298 nan 8.230 nan 0.000 0.540 178 A N 0.683 123.494 122.820 -0.015 0.000 2.287 178 A HA 0.302 4.622 4.320 0.000 0.000 0.273 178 A C 0.116 177.688 177.584 -0.019 0.000 1.091 178 A CA -0.260 51.764 52.037 -0.021 0.000 0.817 178 A CB 0.543 19.531 19.000 -0.020 0.000 1.069 178 A HN 0.190 nan 8.150 nan 0.000 0.492 179 K N 0.634 121.020 120.400 -0.024 0.000 2.258 179 K HA 0.488 4.808 4.320 0.000 0.000 0.284 179 K C 0.520 177.110 176.600 -0.017 0.000 1.051 179 K CA 0.779 57.055 56.287 -0.019 0.000 0.923 179 K CB 0.157 32.644 32.500 -0.021 0.000 1.046 179 K HN 1.717 nan 8.250 nan 0.000 0.474 180 G N 1.924 110.715 108.800 -0.014 0.000 2.548 180 G HA2 -0.193 3.768 3.960 0.000 0.000 0.208 180 G HA3 -0.193 3.768 3.960 0.000 0.000 0.208 180 G C -0.947 173.946 174.900 -0.012 0.000 1.308 180 G CA -0.668 44.424 45.100 -0.013 0.000 0.924 180 G HN 0.575 nan 8.290 nan 0.000 0.540 181 T N 1.060 115.608 114.554 -0.010 0.000 2.823 181 T HA 0.696 5.047 4.350 0.000 0.000 0.279 181 T C -0.002 174.694 174.700 -0.006 0.000 0.998 181 T CA 0.244 62.339 62.100 -0.008 0.000 0.994 181 T CB 1.566 70.429 68.868 -0.008 0.000 0.960 181 T HN 0.745 nan 8.240 nan 0.000 0.448 182 T N 2.570 117.121 114.554 -0.004 0.000 2.823 182 T HA 0.581 4.931 4.350 0.000 0.000 0.279 182 T C -0.576 174.127 174.700 0.004 0.000 0.998 182 T CA -0.483 61.616 62.100 -0.002 0.000 0.994 182 T CB 1.312 70.179 68.868 -0.002 0.000 0.960 182 T HN 0.297 nan 8.240 nan 0.000 0.448 183 V N 4.501 124.418 119.914 0.006 0.000 2.444 183 V HA 0.464 4.584 4.120 0.000 0.000 0.294 183 V C -0.403 175.700 176.094 0.016 0.000 1.022 183 V CA -0.738 61.571 62.300 0.015 0.000 0.850 183 V CB 1.419 33.250 31.823 0.013 0.000 0.992 183 V HN 0.786 nan 8.190 nan 0.000 0.426 184 I N 4.695 125.278 120.570 0.022 0.000 2.306 184 I HA 0.411 4.581 4.170 0.000 0.000 0.288 184 I C 0.211 176.345 176.117 0.028 0.000 1.036 184 I CA -0.159 61.150 61.300 0.016 0.000 1.221 184 I CB 1.146 39.150 38.000 0.007 0.000 1.385 184 I HN 0.626 nan 8.210 nan 0.000 0.472 185 E N 6.471 126.686 120.200 0.025 0.000 2.231 185 E HA 0.212 4.563 4.350 0.000 0.000 0.277 185 E C 0.356 176.966 176.600 0.017 0.000 0.999 185 E CA -0.338 56.082 56.400 0.034 0.000 0.827 185 E CB 0.836 30.556 29.700 0.032 0.000 1.101 185 E HN 0.639 nan 8.360 nan 0.000 0.393 186 N N 1.687 120.397 118.700 0.016 0.000 2.815 186 N HA -0.213 4.528 4.740 0.000 0.000 0.249 186 N C -1.047 174.458 175.510 -0.009 0.000 1.114 186 N CA 0.107 53.157 53.050 0.001 0.000 0.717 186 N CB -0.727 37.760 38.487 0.000 0.000 1.074 186 N HN 0.473 nan 8.380 nan 0.000 0.555 187 A N 0.338 123.151 122.820 -0.013 0.000 2.366 187 A HA 0.653 4.973 4.320 0.000 0.000 0.249 187 A C 0.849 178.421 177.584 -0.019 0.000 1.084 187 A CA 0.418 52.445 52.037 -0.017 0.000 0.794 187 A CB 0.628 19.616 19.000 -0.019 0.000 1.034 187 A HN 0.581 nan 8.150 nan 0.000 0.491 188 A N 0.702 123.517 122.820 -0.009 0.000 2.407 188 A HA 0.499 4.820 4.320 0.000 0.000 0.248 188 A C 0.797 178.384 177.584 0.004 0.000 1.082 188 A CA -0.296 51.744 52.037 0.005 0.000 0.785 188 A CB 0.094 19.105 19.000 0.018 0.000 1.020 188 A HN 0.807 nan 8.150 nan 0.000 0.489 189 R N 0.389 120.908 120.500 0.033 0.000 2.397 189 R HA 0.161 4.501 4.340 0.000 0.000 0.241 189 R C -0.435 175.890 176.300 0.041 0.000 0.914 189 R CA -0.199 55.931 56.100 0.050 0.000 1.071 189 R CB 0.044 30.397 30.300 0.088 0.000 1.116 189 R HN 0.729 nan 8.270 nan 0.000 0.524 190 E N 1.727 121.918 120.200 -0.016 0.000 2.696 190 E HA -0.105 4.246 4.350 0.000 0.000 0.270 190 E C -1.648 174.797 176.600 -0.259 0.000 0.958 190 E CA -0.652 55.621 56.400 -0.212 0.000 0.964 190 E CB 0.308 29.951 29.700 -0.094 0.000 0.948 190 E HN -0.052 nan 8.360 nan 0.000 0.472 191 P HA -0.150 nan 4.420 nan 0.000 0.219 191 P C 0.313 177.538 177.300 -0.125 0.000 1.146 191 P CA 1.123 64.081 63.100 -0.236 0.000 0.808 191 P CB 0.302 31.850 31.700 -0.253 0.000 0.779 192 E N -0.966 119.164 120.200 -0.117 0.000 2.204 192 E HA -0.083 4.268 4.350 0.000 0.000 0.194 192 E C 1.879 178.425 176.600 -0.091 0.000 0.989 192 E CA 0.764 57.115 56.400 -0.082 0.000 0.824 192 E CB -0.810 28.853 29.700 -0.062 0.000 0.756 192 E HN 0.299 nan 8.360 nan 0.000 0.477 193 I N -0.258 120.261 120.570 -0.085 0.000 2.353 193 I HA -0.189 3.982 4.170 0.000 0.000 0.248 193 I C 1.898 177.980 176.117 -0.059 0.000 1.119 193 I CA 0.484 61.737 61.300 -0.079 0.000 1.417 193 I CB -0.086 37.882 38.000 -0.054 0.000 1.078 193 I HN 0.003 nan 8.210 nan 0.000 0.421 194 V N 0.858 120.743 119.914 -0.048 0.000 2.295 194 V HA -0.323 3.797 4.120 0.000 0.000 0.246 194 V C 2.196 178.288 176.094 -0.003 0.000 1.049 194 V CA 2.336 64.622 62.300 -0.022 0.000 1.024 194 V CB -0.599 31.213 31.823 -0.018 0.000 0.648 194 V HN 0.420 nan 8.190 nan 0.000 0.447 195 D N -0.232 120.166 120.400 -0.002 0.000 2.117 195 D HA -0.155 4.486 4.640 0.000 0.000 0.197 195 D C 2.212 178.500 176.300 -0.020 0.000 0.987 195 D CA 1.810 55.836 54.000 0.044 0.000 0.829 195 D CB -0.116 40.724 40.800 0.065 0.000 0.961 195 D HN 0.390 nan 8.370 nan 0.000 0.460 196 T N -0.413 114.098 114.554 -0.072 0.000 2.788 196 T HA -0.088 4.262 4.350 0.000 0.000 0.268 196 T C 1.901 176.601 174.700 -0.001 0.000 1.044 196 T CA 1.345 63.391 62.100 -0.090 0.000 1.139 196 T CB -0.435 68.338 68.868 -0.158 0.000 0.867 196 T HN 0.245 nan 8.240 nan 0.000 0.454 197 A N 2.143 124.952 122.820 -0.017 0.000 1.877 197 A HA -0.167 4.154 4.320 0.000 0.000 0.216 197 A C 2.126 179.711 177.584 0.002 0.000 1.186 197 A CA 1.741 53.774 52.037 -0.007 0.000 0.620 197 A CB -0.664 18.330 19.000 -0.010 0.000 0.822 197 A HN 0.364 nan 8.150 nan 0.000 0.443 198 D N -1.065 119.348 120.400 0.021 0.000 2.144 198 D HA -0.143 4.497 4.640 0.000 0.000 0.199 198 D C 1.630 177.938 176.300 0.013 0.000 0.984 198 D CA 1.346 55.370 54.000 0.040 0.000 0.834 198 D CB -0.456 40.409 40.800 0.108 0.000 0.955 198 D HN 0.484 nan 8.370 nan 0.000 0.465 199 F N 1.722 121.529 119.950 -0.239 0.000 2.069 199 F HA -0.171 4.356 4.527 0.000 0.000 0.298 199 F C 2.178 177.877 175.800 -0.167 0.000 1.113 199 F CA 1.237 59.020 58.000 -0.362 0.000 1.214 199 F CB -0.505 38.159 39.000 -0.560 0.000 0.978 199 F HN -0.138 nan 8.300 nan 0.000 0.474 200 L N 0.294 121.412 121.223 -0.175 0.000 2.046 200 L HA -0.271 4.070 4.340 0.000 0.000 0.208 200 L C 2.335 179.078 176.870 -0.212 0.000 1.077 200 L CA 1.328 56.024 54.840 -0.240 0.000 0.747 200 L CB -0.940 41.082 42.059 -0.063 0.000 0.896 200 L HN 0.207 nan 8.230 nan 0.000 0.432 201 N N 0.534 119.157 118.700 -0.128 0.000 2.120 201 N HA -0.180 4.560 4.740 0.000 0.000 0.188 201 N C 1.708 177.149 175.510 -0.115 0.000 1.024 201 N CA 1.249 54.245 53.050 -0.092 0.000 0.852 201 N CB -0.198 38.263 38.487 -0.044 0.000 1.003 201 N HN 0.327 nan 8.380 nan 0.000 0.424 202 K N 0.287 120.604 120.400 -0.138 0.000 2.286 202 K HA -0.011 4.309 4.320 0.000 0.000 0.203 202 K C 1.184 177.681 176.600 -0.171 0.000 1.045 202 K CA 0.842 57.054 56.287 -0.126 0.000 0.935 202 K CB -0.055 32.383 32.500 -0.102 0.000 0.737 202 K HN 0.271 nan 8.250 nan 0.000 0.460 203 M N -0.671 118.779 119.600 -0.250 0.000 2.475 203 M HA 0.154 4.634 4.480 0.000 0.000 0.261 203 M C 0.700 176.913 176.300 -0.145 0.000 1.177 203 M CA 0.234 55.400 55.300 -0.224 0.000 0.979 203 M CB 1.177 33.577 32.600 -0.332 0.000 1.482 203 M HN 0.388 nan 8.290 nan 0.000 0.484 204 G N 0.578 109.310 108.800 -0.113 0.000 2.232 204 G HA2 -0.201 3.759 3.960 0.000 0.000 0.226 204 G HA3 -0.201 3.759 3.960 0.000 0.000 0.226 204 G C 0.368 175.227 174.900 -0.069 0.000 0.996 204 G CA -0.108 44.945 45.100 -0.078 0.000 0.626 204 G HN 0.661 nan 8.290 nan 0.000 0.509 205 A N 0.108 122.878 122.820 -0.084 0.000 2.475 205 A HA 0.546 4.866 4.320 0.000 0.000 0.239 205 A C 0.594 178.150 177.584 -0.046 0.000 1.087 205 A CA 1.163 53.163 52.037 -0.063 0.000 0.779 205 A CB 0.156 19.113 19.000 -0.070 0.000 1.036 205 A HN 0.528 nan 8.150 nan 0.000 0.506 206 K N 0.970 121.350 120.400 -0.032 0.000 2.679 206 K HA 0.442 4.762 4.320 0.000 0.000 0.188 206 K C -1.488 175.103 176.600 -0.014 0.000 1.055 206 K CA 0.292 56.566 56.287 -0.022 0.000 1.006 206 K CB 0.795 33.284 32.500 -0.019 0.000 1.317 206 K HN 0.576 nan 8.250 nan 0.000 0.584 207 I N 1.647 122.209 120.570 -0.012 0.000 2.404 207 I HA 0.321 4.492 4.170 0.000 0.000 0.293 207 I C 0.180 176.302 176.117 0.008 0.000 0.992 207 I CA -0.672 60.626 61.300 -0.003 0.000 1.149 207 I CB 2.028 40.024 38.000 -0.007 0.000 1.315 207 I HN 0.355 nan 8.210 nan 0.000 0.446 208 T N 0.520 115.086 114.554 0.020 0.000 2.906 208 T HA 0.678 5.028 4.350 0.000 0.000 0.295 208 T C 0.568 175.307 174.700 0.065 0.000 1.061 208 T CA -0.160 61.961 62.100 0.035 0.000 1.000 208 T CB 1.885 70.772 68.868 0.031 0.000 1.103 208 T HN 1.037 nan 8.240 nan 0.000 0.486 209 G N 0.479 109.330 108.800 0.086 0.000 2.176 209 G HA2 0.042 4.003 3.960 0.000 0.000 0.253 209 G HA3 0.042 4.003 3.960 0.000 0.000 0.253 209 G C 0.426 175.341 174.900 0.024 0.000 0.979 209 G CA -0.057 45.121 45.100 0.130 0.000 0.641 209 G HN 1.647 nan 8.290 nan 0.000 0.530 210 A N -0.062 122.767 122.820 0.015 0.000 2.548 210 A HA 0.620 4.940 4.320 0.000 0.000 0.247 210 A C 1.949 179.522 177.584 -0.019 0.000 1.067 210 A CA 2.108 54.140 52.037 -0.009 0.000 0.757 210 A CB -0.093 18.904 19.000 -0.005 0.000 0.996 210 A HN 2.401 nan 8.150 nan 0.000 0.504 211 G N 1.145 109.925 108.800 -0.033 0.000 2.218 211 G HA2 -0.071 3.889 3.960 0.000 0.000 0.216 211 G HA3 -0.071 3.889 3.960 0.000 0.000 0.216 211 G C 0.460 175.331 174.900 -0.049 0.000 0.994 211 G CA 0.706 45.795 45.100 -0.017 0.000 0.637 211 G HN 2.185 nan 8.290 nan 0.000 0.505 212 S N -0.753 114.862 115.700 -0.141 0.000 2.726 212 S HA 0.821 5.291 4.470 0.000 0.000 0.308 212 S C 1.172 175.596 174.600 -0.295 0.000 1.115 212 S CA 0.384 58.404 58.200 -0.300 0.000 0.965 212 S CB 1.865 64.664 63.200 -0.668 0.000 1.145 212 S HN 1.642 nan 8.310 nan 0.000 0.532 213 A N 0.294 122.925 122.820 -0.316 0.000 2.235 213 A HA 0.213 4.533 4.320 0.000 0.000 0.208 213 A C 0.426 177.957 177.584 -0.089 0.000 1.172 213 A CA 0.590 52.537 52.037 -0.150 0.000 0.786 213 A CB -1.234 17.723 19.000 -0.072 0.000 0.804 213 A HN 1.009 nan 8.150 nan 0.000 0.479 214 H N -2.119 116.954 119.070 0.005 0.000 2.866 214 H HA 0.691 5.248 4.556 0.000 0.000 0.287 214 H C -1.091 174.237 175.328 0.000 0.000 1.106 214 H CA -1.226 54.822 56.048 0.001 0.000 1.396 214 H CB -0.490 29.272 29.762 0.001 0.000 1.469 214 H HN 0.087 nan 8.280 nan 0.000 0.500 215 I N 3.093 123.728 120.570 0.109 0.000 2.336 215 I HA 0.326 4.497 4.170 0.000 0.000 0.292 215 I C -0.223 175.932 176.117 0.063 0.000 0.991 215 I CA -0.440 60.905 61.300 0.075 0.000 1.227 215 I CB 1.894 39.909 38.000 0.025 0.000 1.366 215 I HN 0.589 nan 8.210 nan 0.000 0.466 216 T N 7.145 121.732 114.554 0.056 0.000 2.792 216 T HA 0.654 5.004 4.350 0.000 0.000 0.280 216 T C -0.428 174.281 174.700 0.016 0.000 0.990 216 T CA -0.320 61.798 62.100 0.029 0.000 0.960 216 T CB 1.173 70.053 68.868 0.021 0.000 0.939 216 T HN 0.175 nan 8.240 nan 0.000 0.439 217 I N 2.509 123.083 120.570 0.007 0.000 2.466 217 I HA 0.335 4.506 4.170 0.000 0.000 0.289 217 I C 0.041 176.154 176.117 -0.005 0.000 1.026 217 I CA -0.670 60.630 61.300 -0.001 0.000 1.078 217 I CB 2.062 40.060 38.000 -0.003 0.000 1.249 217 I HN 0.578 nan 8.210 nan 0.000 0.429 218 E N 5.127 125.322 120.200 -0.009 0.000 2.055 218 E HA 0.551 4.902 4.350 0.000 0.000 0.274 218 E C 0.286 176.877 176.600 -0.014 0.000 0.949 218 E CA -0.634 55.759 56.400 -0.011 0.000 0.775 218 E CB 0.867 30.560 29.700 -0.011 0.000 1.097 218 E HN 0.822 nan 8.360 nan 0.000 0.404 219 G N 2.605 111.397 108.800 -0.014 0.000 2.562 219 G HA2 0.296 4.256 3.960 0.000 0.000 0.233 219 G HA3 0.296 4.256 3.960 0.000 0.000 0.233 219 G C -0.010 174.879 174.900 -0.018 0.000 1.266 219 G CA 0.246 45.337 45.100 -0.016 0.000 0.852 219 G HN 0.586 nan 8.290 nan 0.000 0.581 220 V N -1.308 118.593 119.914 -0.021 0.000 3.160 220 V HA 0.582 4.702 4.120 0.000 0.000 0.310 220 V C 0.913 176.993 176.094 -0.023 0.000 1.181 220 V CA -0.797 61.489 62.300 -0.023 0.000 1.047 220 V CB 1.892 33.698 31.823 -0.029 0.000 1.068 220 V HN 0.603 nan 8.190 nan 0.000 0.441 221 E N 1.346 121.532 120.200 -0.023 0.000 2.021 221 E HA -0.107 4.243 4.350 0.000 0.000 0.200 221 E C 0.786 177.365 176.600 -0.035 0.000 1.015 221 E CA 2.274 58.660 56.400 -0.023 0.000 0.824 221 E CB 0.048 29.736 29.700 -0.021 0.000 0.762 221 E HN 0.828 nan 8.360 nan 0.000 0.454 222 R N -1.554 118.921 120.500 -0.042 0.000 2.733 222 R HA 0.493 4.833 4.340 0.000 0.000 0.272 222 R C -0.963 175.303 176.300 -0.057 0.000 1.029 222 R CA -0.706 55.361 56.100 -0.056 0.000 0.888 222 R CB 0.563 30.827 30.300 -0.059 0.000 1.251 222 R HN -0.099 nan 8.270 nan 0.000 0.464 223 L N 1.233 122.416 121.223 -0.066 0.000 2.334 223 L HA 0.463 4.803 4.340 0.000 0.000 0.275 223 L C 1.199 178.027 176.870 -0.070 0.000 1.036 223 L CA -0.687 54.107 54.840 -0.078 0.000 0.807 223 L CB 1.959 43.962 42.059 -0.094 0.000 1.231 223 L HN 1.061 nan 8.230 nan 0.000 0.438 224 T N -0.937 113.568 114.554 -0.081 0.000 3.397 224 T HA 0.553 4.903 4.350 0.000 0.000 0.197 224 T C 0.502 175.162 174.700 -0.066 0.000 0.837 224 T CA 0.344 62.407 62.100 -0.061 0.000 2.001 224 T CB 0.383 69.217 68.868 -0.056 0.000 1.845 224 T HN 0.745 nan 8.240 nan 0.000 0.444 225 G N -0.853 107.897 108.800 -0.084 0.000 2.488 225 G HA2 0.552 4.512 3.960 0.000 0.000 0.301 225 G HA3 0.552 4.512 3.960 0.000 0.000 0.301 225 G C -0.931 173.916 174.900 -0.090 0.000 1.339 225 G CA -0.330 44.726 45.100 -0.075 0.000 0.803 225 G HN 1.652 nan 8.290 nan 0.000 0.482 226 C N -1.691 117.584 119.300 -0.041 0.000 3.132 226 C HA 0.822 5.283 4.460 0.000 0.000 0.336 226 C C -1.282 173.758 174.990 0.084 0.000 1.387 226 C CA -0.768 58.244 59.018 -0.010 0.000 1.202 226 C CB 1.007 28.700 27.740 -0.080 0.000 1.451 226 C HN 1.248 nan 8.230 nan 0.000 0.433 227 E N 0.436 120.699 120.200 0.104 0.000 2.199 227 E HA 0.728 5.078 4.350 0.000 0.000 0.269 227 E C -1.324 175.409 176.600 0.221 0.000 0.899 227 E CA -0.180 56.303 56.400 0.139 0.000 0.772 227 E CB 1.429 31.174 29.700 0.076 0.000 1.155 227 E HN 0.858 nan 8.360 nan 0.000 0.408 228 H N 1.395 120.542 119.070 0.130 0.000 2.954 228 H HA 0.335 4.891 4.556 0.000 0.000 0.361 228 H C -1.786 173.581 175.328 0.065 0.000 1.122 228 H CA -0.520 55.608 56.048 0.134 0.000 1.217 228 H CB 1.973 31.913 29.762 0.298 0.000 1.776 228 H HN 0.342 nan 8.280 nan 0.000 0.533 229 S N 4.085 119.472 115.700 -0.522 0.000 2.438 229 S HA 0.371 4.841 4.470 0.000 0.000 0.293 229 S C -0.531 173.789 174.600 -0.467 0.000 1.141 229 S CA -0.692 57.308 58.200 -0.334 0.000 1.080 229 S CB 0.183 63.253 63.200 -0.217 0.000 0.978 229 S HN 0.492 nan 8.310 nan 0.000 0.479 230 V N 5.662 125.493 119.914 -0.138 0.000 2.655 230 V HA 0.087 4.207 4.120 0.000 0.000 0.300 230 V C 0.972 177.049 176.094 -0.029 0.000 1.044 230 V CA -0.249 62.048 62.300 -0.004 0.000 1.095 230 V CB 1.200 33.033 31.823 0.016 0.000 0.952 230 V HN 0.724 nan 8.190 nan 0.000 0.485 231 V N 8.168 128.094 119.914 0.020 0.000 2.814 231 V HA 0.101 4.221 4.120 0.000 0.000 0.307 231 V C -1.837 174.253 176.094 -0.006 0.000 1.089 231 V CA -0.887 61.414 62.300 0.002 0.000 1.212 231 V CB 1.153 32.984 31.823 0.014 0.000 0.912 231 V HN 0.861 nan 8.190 nan 0.000 0.497 232 P HA 0.052 nan 4.420 nan 0.000 0.268 232 P C -0.882 176.419 177.300 0.001 0.000 1.208 232 P CA -0.015 63.088 63.100 0.005 0.000 0.777 232 P CB 0.292 32.001 31.700 0.014 0.000 0.875 233 D N 2.483 122.887 120.400 0.006 0.000 2.352 233 D HA -0.001 4.639 4.640 0.000 0.000 0.245 233 D C 1.351 177.652 176.300 0.000 0.000 1.224 233 D CA -0.098 53.894 54.000 -0.013 0.000 0.879 233 D CB 0.532 41.311 40.800 -0.034 0.000 1.057 233 D HN 0.332 nan 8.370 nan 0.000 0.491 234 R N 3.846 124.339 120.500 -0.012 0.000 2.115 234 R HA -0.119 4.221 4.340 0.000 0.000 0.230 234 R C 1.398 177.697 176.300 -0.002 0.000 1.111 234 R CA 0.575 56.674 56.100 -0.001 0.000 0.976 234 R CB -0.148 30.142 30.300 -0.017 0.000 0.870 234 R HN 0.345 nan 8.270 nan 0.000 0.445 235 I N 1.861 122.414 120.570 -0.029 0.000 2.286 235 I HA -0.139 4.031 4.170 0.000 0.000 0.245 235 I C 2.574 178.681 176.117 -0.017 0.000 1.104 235 I CA 1.270 62.551 61.300 -0.031 0.000 1.397 235 I CB -1.210 36.753 38.000 -0.062 0.000 1.072 235 I HN 0.361 nan 8.210 nan 0.000 0.417 236 E N 0.932 121.101 120.200 -0.051 0.000 2.077 236 E HA -0.196 4.155 4.350 0.000 0.000 0.193 236 E C 2.049 178.679 176.600 0.051 0.000 0.989 236 E CA 1.980 58.365 56.400 -0.024 0.000 0.800 236 E CB 0.144 29.850 29.700 0.010 0.000 0.746 236 E HN 0.372 nan 8.360 nan 0.000 0.452 237 T N -0.095 114.527 114.554 0.113 0.000 2.684 237 T HA -0.144 4.207 4.350 0.000 0.000 0.267 237 T C 1.735 176.514 174.700 0.133 0.000 1.036 237 T CA 1.340 63.540 62.100 0.167 0.000 1.148 237 T CB -0.704 68.232 68.868 0.114 0.000 0.863 237 T HN 0.427 nan 8.240 nan 0.000 0.436 238 G N 0.908 109.759 108.800 0.085 0.000 2.422 238 G HA2 -0.218 3.743 3.960 0.000 0.000 0.218 238 G HA3 -0.218 3.743 3.960 0.000 0.000 0.218 238 G C 1.715 176.658 174.900 0.073 0.000 1.146 238 G CA 1.460 46.620 45.100 0.100 0.000 0.769 238 G HN 0.457 nan 8.290 nan 0.000 0.547 239 T N 1.133 115.687 114.554 -0.001 0.000 2.708 239 T HA -0.083 4.267 4.350 0.000 0.000 0.266 239 T C 2.014 176.628 174.700 -0.143 0.000 1.037 239 T CA 1.091 63.123 62.100 -0.113 0.000 1.146 239 T CB -0.314 68.432 68.868 -0.203 0.000 0.865 239 T HN 0.205 nan 8.240 nan 0.000 0.435 240 F N 1.025 121.024 119.950 0.081 0.000 2.325 240 F HA 0.178 4.705 4.527 0.000 0.000 0.299 240 F C 2.055 177.873 175.800 0.030 0.000 1.090 240 F CA 0.068 58.097 58.000 0.050 0.000 1.392 240 F CB -0.816 38.220 39.000 0.061 0.000 1.053 240 F HN 0.098 nan 8.300 nan 0.000 0.521 241 L N -0.717 120.618 121.223 0.187 0.000 2.093 241 L HA -0.217 4.123 4.340 0.000 0.000 0.208 241 L C 2.390 179.290 176.870 0.049 0.000 1.085 241 L CA 0.695 55.604 54.840 0.115 0.000 0.755 241 L CB -0.511 41.613 42.059 0.109 0.000 0.904 241 L HN 0.090 nan 8.230 nan 0.000 0.435 242 I N 0.196 120.768 120.570 0.003 0.000 2.315 242 I HA -0.231 3.939 4.170 0.000 0.000 0.248 242 I C 2.838 178.931 176.117 -0.040 0.000 1.117 242 I CA 1.391 62.636 61.300 -0.090 0.000 1.404 242 I CB -1.224 36.685 38.000 -0.152 0.000 1.071 242 I HN 0.176 nan 8.210 nan 0.000 0.419 243 A N 1.012 123.847 122.820 0.025 0.000 1.917 243 A HA -0.217 4.103 4.320 0.000 0.000 0.219 243 A C 2.564 180.172 177.584 0.040 0.000 1.182 243 A CA 2.338 54.408 52.037 0.055 0.000 0.633 243 A CB -0.746 18.351 19.000 0.161 0.000 0.819 243 A HN 0.430 nan 8.150 nan 0.000 0.448 244 A N -0.487 122.362 122.820 0.047 0.000 1.872 244 A HA 0.270 4.590 4.320 0.000 0.000 0.214 244 A C 2.503 180.092 177.584 0.008 0.000 1.187 244 A CA 1.828 53.883 52.037 0.030 0.000 0.614 244 A CB -1.035 17.988 19.000 0.039 0.000 0.826 244 A HN 1.125 nan 8.150 nan 0.000 0.442 245 A N 0.527 123.342 122.820 -0.008 0.000 2.024 245 A HA -0.082 4.238 4.320 0.000 0.000 0.220 245 A C 2.011 179.572 177.584 -0.038 0.000 1.164 245 A CA 1.534 53.554 52.037 -0.029 0.000 0.643 245 A CB -0.796 18.165 19.000 -0.064 0.000 0.806 245 A HN 0.997 nan 8.150 nan 0.000 0.451 246 I N -3.071 117.474 120.570 -0.042 0.000 3.728 246 I HA 0.103 4.273 4.170 0.000 0.000 0.307 246 I C 1.422 177.531 176.117 -0.015 0.000 1.276 246 I CA 1.169 62.447 61.300 -0.037 0.000 1.285 246 I CB 0.234 38.207 38.000 -0.046 0.000 1.038 246 I HN 0.225 nan 8.210 nan 0.000 0.445 247 S N -0.300 115.397 115.700 -0.005 0.000 2.629 247 S HA 0.464 4.934 4.470 0.000 0.000 0.236 247 S C 1.517 176.119 174.600 0.005 0.000 1.010 247 S CA 0.204 58.406 58.200 0.003 0.000 0.981 247 S CB 0.497 63.703 63.200 0.010 0.000 0.919 247 S HN 0.713 nan 8.310 nan 0.000 0.514 248 G N 0.723 109.525 108.800 0.003 0.000 2.189 248 G HA2 -0.178 3.782 3.960 0.000 0.000 0.267 248 G HA3 -0.178 3.782 3.960 0.000 0.000 0.267 248 G C 0.613 175.517 174.900 0.008 0.000 0.975 248 G CA 0.099 45.203 45.100 0.005 0.000 0.644 248 G HN 1.087 nan 8.290 nan 0.000 0.537 249 G N -1.403 107.403 108.800 0.010 0.000 2.508 249 G HA2 0.459 4.419 3.960 0.000 0.000 0.278 249 G HA3 0.459 4.419 3.960 0.000 0.000 0.278 249 G C 0.193 175.101 174.900 0.014 0.000 1.389 249 G CA 0.347 45.454 45.100 0.011 0.000 1.050 249 G HN 1.418 nan 8.290 nan 0.000 0.522 250 C N -0.235 119.073 119.300 0.013 0.000 2.432 250 C HA 0.690 5.150 4.460 0.000 0.000 0.334 250 C C -0.656 174.343 174.990 0.014 0.000 1.155 250 C CA -0.514 58.513 59.018 0.015 0.000 1.335 250 C CB -0.021 27.725 27.740 0.011 0.000 1.964 250 C HN 0.493 nan 8.230 nan 0.000 0.444 251 V N 6.092 126.020 119.914 0.024 0.000 2.680 251 V HA 0.651 4.771 4.120 0.000 0.000 0.309 251 V C -0.476 175.632 176.094 0.023 0.000 1.052 251 V CA -0.493 61.819 62.300 0.021 0.000 0.908 251 V CB 2.166 34.015 31.823 0.044 0.000 1.001 251 V HN 0.688 nan 8.190 nan 0.000 0.431 252 V N 2.436 122.353 119.914 0.005 0.000 2.378 252 V HA 0.335 4.456 4.120 0.000 0.000 0.288 252 V C -0.250 175.845 176.094 0.002 0.000 1.016 252 V CA -0.510 61.795 62.300 0.009 0.000 0.840 252 V CB 1.422 33.244 31.823 -0.001 0.000 0.994 252 V HN 0.971 nan 8.190 nan 0.000 0.431 253 C N 5.465 124.784 119.300 0.030 0.000 2.325 253 C HA 0.501 4.962 4.460 0.000 0.000 0.347 253 C C 0.358 175.365 174.990 0.028 0.000 1.263 253 C CA -0.834 58.208 59.018 0.039 0.000 1.806 253 C CB 0.184 27.984 27.740 0.100 0.000 2.405 253 C HN 0.758 nan 8.230 nan 0.000 0.537 254 Q N 1.634 121.441 119.800 0.011 0.000 2.222 254 Q HA 0.275 4.615 4.340 0.000 0.000 0.252 254 Q C 0.144 176.156 176.000 0.019 0.000 0.926 254 Q CA -0.154 55.654 55.803 0.010 0.000 0.899 254 Q CB 0.617 29.352 28.738 -0.006 0.000 1.250 254 Q HN 0.871 nan 8.270 nan 0.000 0.441 255 N N -0.329 118.381 118.700 0.016 0.000 2.746 255 N HA -0.162 4.579 4.740 0.000 0.000 0.250 255 N C -0.535 174.989 175.510 0.024 0.000 1.055 255 N CA 0.689 53.748 53.050 0.016 0.000 0.699 255 N CB -1.057 37.437 38.487 0.013 0.000 0.919 255 N HN 0.765 nan 8.380 nan 0.000 0.548 256 T N -2.392 112.179 114.554 0.028 0.000 2.893 256 T HA 0.525 4.875 4.350 0.000 0.000 0.279 256 T C 0.201 174.917 174.700 0.026 0.000 0.991 256 T CA -0.692 61.429 62.100 0.035 0.000 0.950 256 T CB 2.489 71.385 68.868 0.046 0.000 1.223 256 T HN 0.251 nan 8.240 nan 0.000 0.585 257 K N -0.336 120.081 120.400 0.028 0.000 3.050 257 K HA 0.527 4.847 4.320 0.000 0.000 0.185 257 K C 1.126 177.745 176.600 0.032 0.000 1.147 257 K CA -0.366 55.935 56.287 0.024 0.000 0.916 257 K CB -0.049 32.461 32.500 0.016 0.000 1.119 257 K HN 0.724 nan 8.250 nan 0.000 0.605 258 A N 1.670 124.512 122.820 0.036 0.000 2.009 258 A HA -0.249 4.072 4.320 0.000 0.000 0.222 258 A C 1.569 179.181 177.584 0.046 0.000 1.175 258 A CA 2.315 54.378 52.037 0.043 0.000 0.651 258 A CB -0.455 18.569 19.000 0.041 0.000 0.815 258 A HN 0.873 nan 8.150 nan 0.000 0.459 259 D N -0.195 120.231 120.400 0.044 0.000 2.392 259 D HA -0.102 4.538 4.640 0.000 0.000 0.228 259 D C 1.273 177.620 176.300 0.078 0.000 1.003 259 D CA 1.581 55.612 54.000 0.052 0.000 0.917 259 D CB -0.806 40.021 40.800 0.045 0.000 0.890 259 D HN 0.512 nan 8.370 nan 0.000 0.532 260 T N -2.581 112.017 114.554 0.073 0.000 3.069 260 T HA 0.233 4.583 4.350 0.000 0.000 0.252 260 T C 1.385 176.158 174.700 0.122 0.000 1.053 260 T CA -0.314 61.846 62.100 0.100 0.000 0.964 260 T CB -0.117 68.760 68.868 0.015 0.000 1.005 260 T HN 0.157 nan 8.240 nan 0.000 0.532 261 L N 0.786 122.058 121.223 0.080 0.000 3.289 261 L HA 0.364 4.705 4.340 0.000 0.000 0.291 261 L C 0.688 177.583 176.870 0.042 0.000 1.279 261 L CA -0.317 54.554 54.840 0.051 0.000 1.025 261 L CB 0.550 42.638 42.059 0.048 0.000 1.413 261 L HN -0.016 nan 8.230 nan 0.000 0.593 262 D N 1.659 122.082 120.400 0.038 0.000 2.106 262 D HA -0.233 4.407 4.640 0.000 0.000 0.191 262 D C 2.176 178.491 176.300 0.025 0.000 0.997 262 D CA 1.816 55.832 54.000 0.026 0.000 0.834 262 D CB 0.175 40.979 40.800 0.006 0.000 0.956 262 D HN 0.390 nan 8.370 nan 0.000 0.448 263 A N 0.599 123.418 122.820 -0.002 0.000 1.883 263 A HA -0.171 4.149 4.320 0.000 0.000 0.217 263 A C 2.599 180.224 177.584 0.068 0.000 1.186 263 A CA 1.644 53.696 52.037 0.025 0.000 0.624 263 A CB -0.845 18.154 19.000 -0.001 0.000 0.822 263 A HN 0.167 nan 8.150 nan 0.000 0.444 264 V N 0.034 119.946 119.914 -0.003 0.000 2.270 264 V HA -0.262 3.858 4.120 0.000 0.000 0.245 264 V C 2.437 178.657 176.094 0.209 0.000 1.043 264 V CA 2.055 64.394 62.300 0.065 0.000 1.014 264 V CB -0.662 31.171 31.823 0.016 0.000 0.645 264 V HN 0.579 nan 8.190 nan 0.000 0.447 265 I N 0.246 120.900 120.570 0.140 0.000 2.208 265 I HA -0.275 3.895 4.170 0.000 0.000 0.245 265 I C 2.210 178.409 176.117 0.135 0.000 1.097 265 I CA 1.724 63.106 61.300 0.137 0.000 1.363 265 I CB -0.456 37.599 38.000 0.091 0.000 1.051 265 I HN 0.338 nan 8.210 nan 0.000 0.413 266 D N 0.539 121.006 120.400 0.111 0.000 2.178 266 D HA -0.130 4.510 4.640 0.000 0.000 0.202 266 D C 2.173 178.547 176.300 0.124 0.000 0.974 266 D CA 0.885 54.943 54.000 0.096 0.000 0.841 266 D CB -0.115 40.724 40.800 0.066 0.000 0.953 266 D HN 0.134 nan 8.370 nan 0.000 0.478 267 K N 0.323 120.827 120.400 0.173 0.000 2.103 267 K HA 0.045 4.365 4.320 0.000 0.000 0.204 267 K C 2.278 179.062 176.600 0.306 0.000 1.052 267 K CA 0.169 56.585 56.287 0.215 0.000 0.945 267 K CB -0.369 32.241 32.500 0.184 0.000 0.722 267 K HN 0.248 nan 8.250 nan 0.000 0.443 268 L N 0.298 121.725 121.223 0.340 0.000 2.046 268 L HA -0.152 4.189 4.340 0.000 0.000 0.208 268 L C 2.536 179.490 176.870 0.141 0.000 1.077 268 L CA 1.275 56.260 54.840 0.242 0.000 0.747 268 L CB -0.274 41.909 42.059 0.207 0.000 0.896 268 L HN 0.121 nan 8.230 nan 0.000 0.432 269 R N -0.347 120.227 120.500 0.123 0.000 2.092 269 R HA -0.173 4.168 4.340 0.000 0.000 0.231 269 R C 2.206 178.552 176.300 0.076 0.000 1.119 269 R CA 1.172 57.322 56.100 0.084 0.000 0.970 269 R CB -0.214 30.129 30.300 0.072 0.000 0.864 269 R HN 0.373 nan 8.270 nan 0.000 0.440 270 E N 0.606 120.860 120.200 0.089 0.000 2.153 270 E HA -0.144 4.206 4.350 0.000 0.000 0.194 270 E C 1.491 178.134 176.600 0.071 0.000 0.988 270 E CA 0.970 57.413 56.400 0.072 0.000 0.811 270 E CB 0.044 29.788 29.700 0.072 0.000 0.746 270 E HN 0.354 nan 8.360 nan 0.000 0.466 271 A N -0.132 122.743 122.820 0.092 0.000 2.239 271 A HA 0.138 4.458 4.320 0.000 0.000 0.209 271 A C 1.577 179.189 177.584 0.047 0.000 1.171 271 A CA 1.067 53.147 52.037 0.072 0.000 0.768 271 A CB -0.307 18.742 19.000 0.081 0.000 0.790 271 A HN 0.437 nan 8.150 nan 0.000 0.478 272 G N -2.761 106.067 108.800 0.047 0.000 2.148 272 G HA2 0.196 4.156 3.960 0.000 0.000 0.203 272 G HA3 0.196 4.156 3.960 0.000 0.000 0.203 272 G C 0.237 175.157 174.900 0.033 0.000 0.993 272 G CA 0.131 45.251 45.100 0.035 0.000 0.661 272 G HN 1.490 nan 8.290 nan 0.000 0.518 273 A N -0.633 122.212 122.820 0.041 0.000 2.282 273 A HA 0.867 5.188 4.320 0.000 0.000 0.319 273 A C 0.074 177.683 177.584 0.042 0.000 1.121 273 A CA -0.153 51.908 52.037 0.039 0.000 0.836 273 A CB 1.329 20.354 19.000 0.042 0.000 1.146 273 A HN 0.861 nan 8.150 nan 0.000 0.494 274 Q N 0.447 120.269 119.800 0.036 0.000 2.333 274 Q HA 0.517 4.857 4.340 0.000 0.000 0.265 274 Q C -1.109 174.914 176.000 0.039 0.000 0.989 274 Q CA -0.452 55.372 55.803 0.035 0.000 0.842 274 Q CB 1.470 30.224 28.738 0.028 0.000 1.262 274 Q HN 1.324 nan 8.270 nan 0.000 0.451 275 V N 1.358 121.299 119.914 0.044 0.000 2.588 275 V HA 0.742 4.862 4.120 0.000 0.000 0.304 275 V C -1.456 174.662 176.094 0.041 0.000 1.042 275 V CA -0.642 61.686 62.300 0.047 0.000 0.877 275 V CB 2.256 34.116 31.823 0.061 0.000 0.996 275 V HN 0.771 nan 8.190 nan 0.000 0.425 276 D N 4.771 125.193 120.400 0.037 0.000 2.391 276 D HA 0.518 5.159 4.640 0.000 0.000 0.245 276 D C -0.259 176.061 176.300 0.033 0.000 1.069 276 D CA -0.072 53.947 54.000 0.032 0.000 0.831 276 D CB 2.279 43.095 40.800 0.026 0.000 1.204 276 D HN 0.918 nan 8.370 nan 0.000 0.503 277 V N -0.151 119.783 119.914 0.032 0.000 2.398 277 V HA 0.736 4.856 4.120 0.000 0.000 0.286 277 V C 0.105 176.215 176.094 0.026 0.000 1.026 277 V CA -0.360 61.959 62.300 0.032 0.000 0.868 277 V CB 1.533 33.377 31.823 0.035 0.000 0.982 277 V HN 0.481 nan 8.190 nan 0.000 0.443 278 T N 1.775 116.343 114.554 0.024 0.000 2.927 278 T HA 0.352 4.702 4.350 0.000 0.000 0.286 278 T C 0.807 175.519 174.700 0.020 0.000 1.040 278 T CA 0.150 62.261 62.100 0.020 0.000 1.010 278 T CB 1.954 70.832 68.868 0.017 0.000 1.177 278 T HN 0.993 nan 8.240 nan 0.000 0.546 279 E N 0.257 120.467 120.200 0.016 0.000 2.265 279 E HA -0.088 4.262 4.350 0.000 0.000 0.196 279 E C 0.619 177.228 176.600 0.015 0.000 0.996 279 E CA 1.008 57.417 56.400 0.016 0.000 0.832 279 E CB 0.105 29.812 29.700 0.012 0.000 0.756 279 E HN 0.475 nan 8.360 nan 0.000 0.491 280 N N -0.159 118.549 118.700 0.015 0.000 2.194 280 N HA 0.043 4.784 4.740 0.000 0.000 0.231 280 N C -0.873 174.647 175.510 0.017 0.000 1.247 280 N CA 0.346 53.404 53.050 0.014 0.000 0.884 280 N CB 1.551 40.044 38.487 0.009 0.000 1.146 280 N HN 0.022 nan 8.380 nan 0.000 0.516 281 S N -0.194 115.519 115.700 0.021 0.000 2.565 281 S HA 0.671 5.141 4.470 0.000 0.000 0.269 281 S C -1.460 173.159 174.600 0.032 0.000 1.153 281 S CA -0.741 57.474 58.200 0.025 0.000 0.835 281 S CB 1.680 64.891 63.200 0.018 0.000 1.122 281 S HN 0.015 nan 8.310 nan 0.000 0.462 282 I N 1.692 122.285 120.570 0.040 0.000 2.534 282 I HA 0.420 4.590 4.170 0.000 0.000 0.288 282 I C -0.809 175.336 176.117 0.047 0.000 1.077 282 I CA -0.457 60.871 61.300 0.047 0.000 1.051 282 I CB 2.590 40.626 38.000 0.060 0.000 1.234 282 I HN 0.695 nan 8.210 nan 0.000 0.425 283 T N 6.790 121.369 114.554 0.041 0.000 2.823 283 T HA 0.607 4.957 4.350 0.000 0.000 0.279 283 T C -0.680 174.046 174.700 0.043 0.000 0.998 283 T CA -0.475 61.648 62.100 0.037 0.000 0.994 283 T CB 1.925 70.809 68.868 0.027 0.000 0.960 283 T HN 0.366 nan 8.240 nan 0.000 0.448 284 L N 2.997 124.246 121.223 0.044 0.000 2.376 284 L HA 0.567 4.908 4.340 0.000 0.000 0.275 284 L C -1.355 175.535 176.870 0.033 0.000 0.987 284 L CA -0.613 54.253 54.840 0.044 0.000 0.828 284 L CB 1.409 43.500 42.059 0.053 0.000 1.249 284 L HN 0.501 nan 8.230 nan 0.000 0.409 285 D N 4.910 125.328 120.400 0.029 0.000 2.440 285 D HA 0.165 4.805 4.640 0.000 0.000 0.239 285 D C 0.372 176.685 176.300 0.021 0.000 1.084 285 D CA -0.453 53.560 54.000 0.022 0.000 0.843 285 D CB 1.996 42.808 40.800 0.020 0.000 1.097 285 D HN 0.555 nan 8.370 nan 0.000 0.531 286 M N 3.930 123.540 119.600 0.018 0.000 2.492 286 M HA 0.214 4.694 4.480 0.000 0.000 0.262 286 M C 0.903 177.211 176.300 0.013 0.000 1.090 286 M CA 0.766 56.075 55.300 0.015 0.000 1.110 286 M CB -0.576 32.030 32.600 0.009 0.000 1.407 286 M HN 0.600 nan 8.290 nan 0.000 0.470 287 L N -0.270 120.961 121.223 0.013 0.000 4.089 287 L HA -0.226 4.114 4.340 0.000 0.000 0.408 287 L C 0.821 177.696 176.870 0.009 0.000 1.184 287 L CA 0.069 54.916 54.840 0.011 0.000 0.947 287 L CB -2.948 39.118 42.059 0.013 0.000 2.066 287 L HN 0.566 nan 8.230 nan 0.000 0.851 288 G N -0.292 108.513 108.800 0.008 0.000 2.273 288 G HA2 -0.309 3.651 3.960 0.000 0.000 0.280 288 G HA3 -0.309 3.651 3.960 0.000 0.000 0.280 288 G C 0.048 174.952 174.900 0.007 0.000 1.047 288 G CA 0.758 45.862 45.100 0.007 0.000 0.869 288 G HN 0.708 nan 8.290 nan 0.000 0.502 289 N N -1.015 117.689 118.700 0.008 0.000 2.319 289 N HA 0.511 5.251 4.740 0.000 0.000 0.305 289 N C 0.132 175.646 175.510 0.006 0.000 1.103 289 N CA -0.979 52.075 53.050 0.008 0.000 0.815 289 N CB 1.285 39.778 38.487 0.010 0.000 1.288 289 N HN 0.302 nan 8.380 nan 0.000 0.493 290 R N 2.173 122.677 120.500 0.007 0.000 2.390 290 R HA 0.283 4.623 4.340 0.000 0.000 0.291 290 R C -2.276 174.028 176.300 0.006 0.000 1.070 290 R CA -1.194 54.908 56.100 0.005 0.000 1.014 290 R CB 0.534 30.838 30.300 0.006 0.000 1.007 290 R HN 0.361 nan 8.270 nan 0.000 0.466 291 P HA 0.125 nan 4.420 nan 0.000 0.274 291 P C -1.376 175.932 177.300 0.012 0.000 1.246 291 P CA -0.277 62.826 63.100 0.005 0.000 0.795 291 P CB 0.834 32.529 31.700 -0.009 0.000 1.006 292 K N 0.587 121.000 120.400 0.021 0.000 2.156 292 K HA 0.556 4.876 4.320 0.000 0.000 0.271 292 K C 0.073 176.691 176.600 0.030 0.000 0.995 292 K CA -0.545 55.756 56.287 0.024 0.000 0.890 292 K CB 0.967 33.483 32.500 0.027 0.000 1.073 292 K HN 0.475 nan 8.250 nan 0.000 0.454 293 A N 1.984 124.819 122.820 0.025 0.000 2.511 293 A HA 0.361 4.681 4.320 0.000 0.000 0.242 293 A C -0.055 177.547 177.584 0.030 0.000 1.069 293 A CA -0.265 51.787 52.037 0.024 0.000 0.763 293 A CB -0.194 18.814 19.000 0.014 0.000 1.001 293 A HN 0.593 nan 8.150 nan 0.000 0.498 294 V N 0.822 120.759 119.914 0.038 0.000 2.925 294 V HA 0.513 4.633 4.120 0.000 0.000 0.311 294 V C -0.365 175.725 176.094 -0.007 0.000 1.104 294 V CA -1.258 61.059 62.300 0.029 0.000 0.954 294 V CB 1.550 33.412 31.823 0.066 0.000 1.022 294 V HN 0.912 nan 8.190 nan 0.000 0.427 295 N N 2.744 121.421 118.700 -0.037 0.000 2.525 295 N HA 0.584 5.324 4.740 0.000 0.000 0.271 295 N C -1.051 174.366 175.510 -0.154 0.000 1.194 295 N CA -0.551 52.456 53.050 -0.072 0.000 0.964 295 N CB 0.953 39.406 38.487 -0.057 0.000 1.126 295 N HN 0.566 nan 8.380 nan 0.000 0.452 296 I N 1.284 121.735 120.570 -0.198 0.000 2.647 296 I HA 0.372 4.542 4.170 0.000 0.000 0.295 296 I C -0.268 175.698 176.117 -0.250 0.000 1.078 296 I CA -0.450 60.612 61.300 -0.397 0.000 1.048 296 I CB 1.939 39.604 38.000 -0.559 0.000 1.239 296 I HN 0.586 nan 8.210 nan 0.000 0.421 297 R N 3.215 123.557 120.500 -0.263 0.000 2.539 297 R HA 0.367 4.707 4.340 0.000 0.000 0.295 297 R C -0.485 175.802 176.300 -0.021 0.000 1.138 297 R CA -0.301 55.742 56.100 -0.095 0.000 0.936 297 R CB 1.258 31.525 30.300 -0.056 0.000 1.182 297 R HN 0.865 nan 8.270 nan 0.000 0.459 298 T N 0.913 115.497 114.554 0.050 0.000 2.926 298 T HA 0.675 5.025 4.350 0.000 0.000 0.307 298 T C 0.173 174.918 174.700 0.076 0.000 1.059 298 T CA -0.122 62.076 62.100 0.163 0.000 1.122 298 T CB 1.591 70.549 68.868 0.149 0.000 0.972 298 T HN 0.630 nan 8.240 nan 0.000 0.545 299 A N 3.018 125.883 122.820 0.075 0.000 2.586 299 A HA 0.731 5.052 4.320 0.000 0.000 0.291 299 A C -3.152 174.440 177.584 0.014 0.000 1.062 299 A CA -1.762 50.287 52.037 0.020 0.000 0.666 299 A CB 0.468 19.476 19.000 0.014 0.000 1.281 299 A HN 0.647 nan 8.150 nan 0.000 0.421 300 P HA 0.229 nan 4.420 nan 0.000 0.268 300 P C -0.338 176.982 177.300 0.033 0.000 1.208 300 P CA 0.377 63.486 63.100 0.015 0.000 0.777 300 P CB 0.173 31.872 31.700 -0.001 0.000 0.875 301 H N 4.312 123.366 119.070 -0.028 0.000 3.038 301 H HA 0.001 4.558 4.556 0.001 0.000 0.338 301 H C -1.267 174.044 175.328 -0.027 0.000 1.041 301 H CA -0.586 55.443 56.048 -0.031 0.000 1.394 301 H CB 0.268 30.012 29.762 -0.031 0.000 1.357 301 H HN 0.316 nan 8.280 nan 0.000 0.600 302 P HA 0.118 nan 4.420 nan 0.000 0.255 302 P C 0.385 177.465 177.300 -0.367 0.000 1.427 302 P CA 0.138 62.689 63.100 -0.916 0.000 0.863 302 P CB 0.006 31.287 31.700 -0.698 0.000 1.444 303 G N 0.344 109.041 108.800 -0.172 0.000 2.553 303 G HA2 0.160 4.120 3.960 0.000 0.000 0.278 303 G HA3 0.160 4.120 3.960 0.000 0.000 0.278 303 G C -0.993 173.903 174.900 -0.008 0.000 1.349 303 G CA -0.633 44.435 45.100 -0.053 0.000 1.037 303 G HN 0.135 nan 8.290 nan 0.000 0.508 304 F N 2.662 122.557 119.950 -0.092 0.000 2.541 304 F HA 0.313 4.840 4.527 0.001 0.000 0.378 304 F C -1.361 174.400 175.800 -0.064 0.000 1.068 304 F CA -2.087 55.848 58.000 -0.109 0.000 1.199 304 F CB 0.715 39.616 39.000 -0.165 0.000 1.091 304 F HN 0.102 nan 8.300 nan 0.000 0.555 305 P HA -0.046 nan 4.420 nan 0.000 0.271 305 P C 0.416 177.653 177.300 -0.105 0.000 1.220 305 P CA 0.101 63.059 63.100 -0.237 0.000 0.768 305 P CB 1.365 32.913 31.700 -0.253 0.000 0.848 306 T N 1.409 115.998 114.554 0.058 0.000 2.881 306 T HA -0.127 4.223 4.350 0.000 0.000 0.270 306 T C 0.944 175.716 174.700 0.119 0.000 1.068 306 T CA 1.516 63.701 62.100 0.142 0.000 1.131 306 T CB -0.632 68.337 68.868 0.167 0.000 0.871 306 T HN 0.278 nan 8.240 nan 0.000 0.479 307 D N 0.352 120.786 120.400 0.057 0.000 2.378 307 D HA 0.074 4.714 4.640 0.000 0.000 0.227 307 D C 1.274 177.594 176.300 0.033 0.000 1.012 307 D CA 0.458 54.482 54.000 0.040 0.000 0.905 307 D CB 0.103 40.915 40.800 0.019 0.000 0.895 307 D HN 0.395 nan 8.370 nan 0.000 0.532 308 M N -0.461 119.152 119.600 0.022 0.000 2.306 308 M HA 0.065 4.545 4.480 0.000 0.000 0.292 308 M C 1.620 178.147 176.300 0.378 0.000 1.018 308 M CA 0.092 55.460 55.300 0.114 0.000 1.007 308 M CB 0.375 32.900 32.600 -0.125 0.000 1.510 308 M HN -0.014 nan 8.290 nan 0.000 0.537 309 Q N 1.026 121.039 119.800 0.355 0.000 2.061 309 Q HA -0.140 4.201 4.340 0.000 0.000 0.204 309 Q C 1.723 177.867 176.000 0.239 0.000 0.984 309 Q CA 2.221 58.259 55.803 0.390 0.000 0.846 309 Q CB 0.112 29.023 28.738 0.287 0.000 0.902 309 Q HN 0.477 nan 8.270 nan 0.000 0.421 310 A N 0.413 123.224 122.820 -0.015 0.000 1.898 310 A HA -0.227 4.094 4.320 0.000 0.000 0.216 310 A C 1.983 179.502 177.584 -0.109 0.000 1.181 310 A CA 1.621 53.400 52.037 -0.430 0.000 0.620 310 A CB -0.468 18.152 19.000 -0.633 0.000 0.819 310 A HN 0.447 nan 8.150 nan 0.000 0.442 311 Q N -1.169 118.656 119.800 0.040 0.000 2.124 311 Q HA -0.083 4.257 4.340 0.000 0.000 0.202 311 Q C 1.550 177.589 176.000 0.065 0.000 0.977 311 Q CA 1.658 57.491 55.803 0.050 0.000 0.850 311 Q CB -0.439 28.354 28.738 0.091 0.000 0.901 311 Q HN 0.697 nan 8.270 nan 0.000 0.429 312 F N -0.373 119.648 119.950 0.119 0.000 2.558 312 F HA -0.038 4.489 4.527 0.000 0.000 0.298 312 F C 2.045 177.889 175.800 0.073 0.000 1.119 312 F CA 0.912 58.983 58.000 0.119 0.000 1.451 312 F CB -0.116 38.987 39.000 0.171 0.000 1.091 312 F HN 0.001 nan 8.300 nan 0.000 0.563 313 T N 0.372 115.070 114.554 0.239 0.000 2.821 313 T HA -0.155 4.195 4.350 0.000 0.000 0.267 313 T C 2.030 176.798 174.700 0.113 0.000 1.046 313 T CA 1.101 63.324 62.100 0.205 0.000 1.139 313 T CB -0.407 68.695 68.868 0.391 0.000 0.871 313 T HN 0.142 nan 8.240 nan 0.000 0.454 314 L N 1.147 122.415 121.223 0.076 0.000 2.056 314 L HA 0.092 4.432 4.340 0.000 0.000 0.207 314 L C 2.138 179.000 176.870 -0.013 0.000 1.078 314 L CA 1.465 56.321 54.840 0.026 0.000 0.749 314 L CB -0.882 41.175 42.059 -0.003 0.000 0.901 314 L HN 0.164 nan 8.230 nan 0.000 0.433 315 L N 0.029 121.216 121.223 -0.060 0.000 2.017 315 L HA -0.205 4.135 4.340 0.000 0.000 0.208 315 L C 2.230 179.079 176.870 -0.035 0.000 1.073 315 L CA 1.790 56.570 54.840 -0.100 0.000 0.745 315 L CB -0.898 41.005 42.059 -0.260 0.000 0.894 315 L HN 0.370 nan 8.230 nan 0.000 0.432 316 N N -0.815 117.888 118.700 0.005 0.000 2.309 316 N HA -0.110 4.630 4.740 0.000 0.000 0.182 316 N C 1.746 177.255 175.510 -0.002 0.000 1.018 316 N CA 1.408 54.466 53.050 0.013 0.000 0.876 316 N CB -0.147 38.355 38.487 0.026 0.000 0.972 316 N HN 0.462 nan 8.380 nan 0.000 0.434 317 M N 0.150 119.751 119.600 0.001 0.000 2.476 317 M HA -0.035 4.445 4.480 0.000 0.000 0.262 317 M C 1.525 177.828 176.300 0.005 0.000 1.079 317 M CA 0.827 56.126 55.300 -0.000 0.000 1.104 317 M CB 0.253 32.858 32.600 0.008 0.000 1.409 317 M HN -0.012 nan 8.290 nan 0.000 0.467 318 V N -3.787 116.128 119.914 0.001 0.000 3.528 318 V HA 0.462 4.582 4.120 0.000 0.000 0.294 318 V C 0.997 177.093 176.094 0.002 0.000 1.404 318 V CA -0.280 62.021 62.300 0.002 0.000 1.065 318 V CB -1.145 30.676 31.823 -0.004 0.000 0.904 318 V HN 0.152 nan 8.190 nan 0.000 0.435 319 A N 0.669 123.491 122.820 0.002 0.000 2.267 319 A HA 0.515 4.835 4.320 0.000 0.000 0.271 319 A C 0.196 177.788 177.584 0.013 0.000 1.131 319 A CA -0.294 51.746 52.037 0.006 0.000 0.818 319 A CB 0.249 19.254 19.000 0.008 0.000 1.118 319 A HN 0.543 nan 8.150 nan 0.000 0.501 320 E N -0.835 119.375 120.200 0.015 0.000 2.113 320 E HA 0.488 4.838 4.350 0.000 0.000 0.273 320 E C 0.114 176.728 176.600 0.023 0.000 0.924 320 E CA 0.529 56.941 56.400 0.019 0.000 0.764 320 E CB 0.691 30.401 29.700 0.016 0.000 1.104 320 E HN 1.358 nan 8.360 nan 0.000 0.406 321 G N 2.293 111.111 108.800 0.031 0.000 2.408 321 G HA2 -0.148 3.813 3.960 0.000 0.000 0.682 321 G HA3 -0.148 3.813 3.960 0.000 0.000 0.682 321 G C -0.580 174.348 174.900 0.046 0.000 1.303 321 G CA -0.792 44.330 45.100 0.036 0.000 0.966 321 G HN 0.439 nan 8.290 nan 0.000 0.560 322 T N 0.829 115.414 114.554 0.051 0.000 2.907 322 T HA 0.758 5.108 4.350 0.000 0.000 0.284 322 T C 0.471 175.165 174.700 -0.009 0.000 1.004 322 T CA 0.450 62.578 62.100 0.047 0.000 1.063 322 T CB 1.225 70.160 68.868 0.112 0.000 0.992 322 T HN 1.661 nan 8.240 nan 0.000 0.483 323 S N 1.680 117.340 115.700 -0.066 0.000 2.569 323 S HA 0.742 5.212 4.470 0.000 0.000 0.280 323 S C -0.985 173.562 174.600 -0.088 0.000 1.111 323 S CA -0.973 57.191 58.200 -0.060 0.000 0.887 323 S CB 1.103 64.276 63.200 -0.044 0.000 1.095 323 S HN 0.577 nan 8.310 nan 0.000 0.476 324 I N 2.026 122.558 120.570 -0.062 0.000 2.382 324 I HA 0.418 4.588 4.170 0.000 0.000 0.285 324 I C -1.013 175.073 176.117 -0.051 0.000 1.007 324 I CA -0.627 60.637 61.300 -0.061 0.000 1.142 324 I CB 1.230 39.207 38.000 -0.038 0.000 1.289 324 I HN 0.560 nan 8.210 nan 0.000 0.453 325 I N 5.812 126.359 120.570 -0.039 0.000 2.354 325 I HA 0.277 4.447 4.170 0.000 0.000 0.286 325 I C -0.253 175.941 176.117 0.128 0.000 1.007 325 I CA -0.164 61.150 61.300 0.023 0.000 1.167 325 I CB 1.602 39.645 38.000 0.072 0.000 1.320 325 I HN 0.470 nan 8.210 nan 0.000 0.458 326 T N 4.593 119.202 114.554 0.093 0.000 2.788 326 T HA 0.215 4.566 4.350 0.000 0.000 0.296 326 T C -0.243 174.523 174.700 0.111 0.000 1.009 326 T CA -0.434 61.742 62.100 0.127 0.000 0.949 326 T CB 1.032 69.930 68.868 0.049 0.000 0.946 326 T HN 0.415 nan 8.240 nan 0.000 0.453 327 E N 2.496 122.774 120.200 0.130 0.000 2.046 327 E HA 0.270 4.620 4.350 0.000 0.000 0.279 327 E C 1.111 177.693 176.600 -0.030 0.000 0.989 327 E CA -0.469 55.922 56.400 -0.014 0.000 0.798 327 E CB 0.495 30.022 29.700 -0.288 0.000 1.086 327 E HN 0.635 nan 8.360 nan 0.000 0.399 328 T N 2.263 116.800 114.554 -0.028 0.000 3.060 328 T HA 0.120 4.470 4.350 0.000 0.000 0.249 328 T C 1.274 175.904 174.700 -0.116 0.000 1.079 328 T CA -0.021 62.048 62.100 -0.051 0.000 1.013 328 T CB -0.033 68.813 68.868 -0.035 0.000 0.975 328 T HN 0.394 nan 8.240 nan 0.000 0.518 329 I N -0.132 120.336 120.570 -0.171 0.000 2.385 329 I HA 0.343 4.513 4.170 0.000 0.000 0.244 329 I C 0.414 176.169 176.117 -0.605 0.000 1.089 329 I CA 0.355 61.413 61.300 -0.403 0.000 1.410 329 I CB -0.765 36.950 38.000 -0.475 0.000 1.117 329 I HN 0.191 nan 8.210 nan 0.000 0.429 330 F N 1.599 121.508 119.950 -0.068 0.000 2.556 330 F HA 0.273 4.800 4.527 0.000 0.000 0.327 330 F C 1.584 177.322 175.800 -0.104 0.000 1.059 330 F CA -0.880 57.074 58.000 -0.077 0.000 0.953 330 F CB 0.846 39.797 39.000 -0.082 0.000 1.227 330 F HN 0.002 nan 8.300 nan 0.000 0.478 331 E N -0.165 120.110 120.200 0.126 0.000 2.474 331 E HA -0.002 4.348 4.350 0.000 0.000 0.194 331 E C -0.129 176.478 176.600 0.012 0.000 1.041 331 E CA 0.545 56.968 56.400 0.038 0.000 0.874 331 E CB -0.133 29.592 29.700 0.042 0.000 0.914 331 E HN 0.561 nan 8.360 nan 0.000 0.498 332 N N 0.745 119.448 118.700 0.004 0.000 2.622 332 N HA 0.109 4.850 4.740 0.000 0.000 0.304 332 N C -0.706 174.769 175.510 -0.059 0.000 1.844 332 N CA -0.224 52.817 53.050 -0.015 0.000 0.886 332 N CB 0.376 38.866 38.487 0.004 0.000 1.366 332 N HN -0.063 nan 8.380 nan 0.000 0.491 333 R N 0.427 120.824 120.500 -0.171 0.000 3.534 333 R HA 0.276 4.616 4.340 0.000 0.000 0.312 333 R C -0.620 175.579 176.300 -0.169 0.000 1.419 333 R CA 0.045 56.053 56.100 -0.153 0.000 1.262 333 R CB -0.200 30.030 30.300 -0.115 0.000 1.437 333 R HN 0.132 nan 8.270 nan 0.000 0.627 334 F N -0.592 119.371 119.950 0.023 0.000 2.817 334 F HA 0.229 4.756 4.527 0.001 0.000 0.319 334 F C 1.113 176.734 175.800 -0.298 0.000 1.136 334 F CA -0.441 57.435 58.000 -0.207 0.000 1.177 334 F CB 0.375 39.283 39.000 -0.153 0.000 1.088 334 F HN 0.087 nan 8.300 nan 0.000 0.520 335 M N -0.524 119.105 119.600 0.049 0.000 2.446 335 M HA -0.179 4.301 4.480 0.000 0.000 0.263 335 M C 1.998 178.298 176.300 -0.001 0.000 1.066 335 M CA 1.573 56.881 55.300 0.013 0.000 1.087 335 M CB -0.622 31.988 32.600 0.016 0.000 1.406 335 M HN 0.383 nan 8.290 nan 0.000 0.459 336 H N -1.260 117.845 119.070 0.058 0.000 2.470 336 H HA 0.105 4.662 4.556 0.000 0.000 0.289 336 H C 1.766 177.118 175.328 0.038 0.000 1.033 336 H CA 0.697 56.766 56.048 0.034 0.000 1.331 336 H CB -0.460 29.327 29.762 0.041 0.000 1.414 336 H HN 0.297 nan 8.280 nan 0.000 0.545 337 I N 1.824 122.158 120.570 -0.394 0.000 2.127 337 I HA -0.157 4.013 4.170 0.000 0.000 0.241 337 I C -0.307 175.754 176.117 -0.095 0.000 1.075 337 I CA 1.095 62.260 61.300 -0.226 0.000 1.334 337 I CB -1.077 36.733 38.000 -0.316 0.000 1.040 337 I HN 0.320 nan 8.210 nan 0.000 0.405 338 P HA -0.175 nan 4.420 nan 0.000 0.216 338 P C 1.198 178.488 177.300 -0.017 0.000 1.150 338 P CA 1.541 64.618 63.100 -0.040 0.000 0.837 338 P CB -0.144 31.538 31.700 -0.030 0.000 0.786 339 E N 0.172 120.369 120.200 -0.005 0.000 2.077 339 E HA -0.093 4.258 4.350 0.000 0.000 0.193 339 E C 2.355 178.965 176.600 0.017 0.000 0.989 339 E CA 0.850 57.256 56.400 0.011 0.000 0.800 339 E CB -0.866 28.848 29.700 0.023 0.000 0.746 339 E HN 0.350 nan 8.360 nan 0.000 0.452 340 L N 0.484 121.723 121.223 0.026 0.000 2.141 340 L HA -0.099 4.242 4.340 0.000 0.000 0.209 340 L C 2.507 179.384 176.870 0.012 0.000 1.094 340 L CA 0.614 55.472 54.840 0.031 0.000 0.763 340 L CB -0.289 41.805 42.059 0.058 0.000 0.908 340 L HN 0.082 nan 8.230 nan 0.000 0.437 341 I N -0.539 120.030 120.570 -0.002 0.000 2.394 341 I HA -0.260 3.910 4.170 0.000 0.000 0.251 341 I C 2.594 178.711 176.117 0.001 0.000 1.136 341 I CA 1.014 62.311 61.300 -0.005 0.000 1.425 341 I CB -0.237 37.754 38.000 -0.016 0.000 1.079 341 I HN 0.203 nan 8.210 nan 0.000 0.425 342 R N 0.305 120.806 120.500 0.002 0.000 2.152 342 R HA -0.108 4.232 4.340 0.000 0.000 0.232 342 R C 1.967 178.271 176.300 0.006 0.000 1.117 342 R CA 1.232 57.335 56.100 0.004 0.000 0.981 342 R CB -0.194 30.109 30.300 0.005 0.000 0.870 342 R HN 0.373 nan 8.270 nan 0.000 0.451 343 M N -1.009 118.595 119.600 0.008 0.000 2.561 343 M HA 0.133 4.613 4.480 0.000 0.000 0.238 343 M C 0.806 177.111 176.300 0.009 0.000 1.131 343 M CA 0.637 55.943 55.300 0.009 0.000 1.046 343 M CB 1.157 33.764 32.600 0.012 0.000 1.532 343 M HN 0.465 nan 8.290 nan 0.000 0.497 344 G N -0.205 108.600 108.800 0.008 0.000 2.211 344 G HA2 -0.154 3.806 3.960 0.000 0.000 0.201 344 G HA3 -0.154 3.806 3.960 0.000 0.000 0.201 344 G C 0.359 175.266 174.900 0.012 0.000 0.997 344 G CA -0.448 44.657 45.100 0.009 0.000 0.652 344 G HN 0.593 nan 8.290 nan 0.000 0.500 345 G N -0.093 108.714 108.800 0.011 0.000 2.634 345 G HA2 0.514 4.474 3.960 0.000 0.000 0.255 345 G HA3 0.514 4.474 3.960 0.000 0.000 0.255 345 G C -0.225 174.682 174.900 0.013 0.000 1.205 345 G CA -0.028 45.079 45.100 0.011 0.000 0.884 345 G HN 0.436 nan 8.290 nan 0.000 0.549 346 K N -0.015 120.396 120.400 0.018 0.000 2.578 346 K HA 0.613 4.933 4.320 0.000 0.000 0.250 346 K C -0.782 175.820 176.600 0.003 0.000 0.955 346 K CA -0.406 55.910 56.287 0.049 0.000 0.825 346 K CB 2.234 34.809 32.500 0.125 0.000 1.151 346 K HN 0.683 nan 8.250 nan 0.000 0.432 347 A N 2.920 125.723 122.820 -0.029 0.000 2.520 347 A HA 0.477 4.797 4.320 0.000 0.000 0.298 347 A C -1.448 176.082 177.584 -0.090 0.000 1.051 347 A CA -0.834 51.121 52.037 -0.137 0.000 0.690 347 A CB 1.261 20.142 19.000 -0.199 0.000 1.281 347 A HN 0.697 nan 8.150 nan 0.000 0.402 348 E N 1.585 121.723 120.200 -0.103 0.000 2.145 348 E HA 0.528 4.878 4.350 0.000 0.000 0.270 348 E C -1.071 175.451 176.600 -0.131 0.000 0.906 348 E CA -0.324 56.044 56.400 -0.054 0.000 0.761 348 E CB 2.018 31.744 29.700 0.042 0.000 1.116 348 E HN 0.573 nan 8.360 nan 0.000 0.408 349 I N 2.397 122.891 120.570 -0.127 0.000 2.392 349 I HA 0.311 4.482 4.170 0.000 0.000 0.295 349 I C -0.189 175.892 176.117 -0.061 0.000 0.985 349 I CA -0.576 60.632 61.300 -0.153 0.000 1.221 349 I CB 1.410 39.318 38.000 -0.153 0.000 1.366 349 I HN 0.462 nan 8.210 nan 0.000 0.467 350 E N 4.754 124.933 120.200 -0.035 0.000 2.334 350 E HA 0.511 4.861 4.350 0.000 0.000 0.280 350 E C -0.103 176.525 176.600 0.047 0.000 0.899 350 E CA 0.207 56.611 56.400 0.007 0.000 0.813 350 E CB 1.031 30.731 29.700 -0.001 0.000 1.318 350 E HN 0.812 nan 8.360 nan 0.000 0.399 351 G N 5.094 113.933 108.800 0.065 0.000 2.583 351 G HA2 -0.411 3.549 3.960 0.000 0.000 0.292 351 G HA3 -0.411 3.549 3.960 0.000 0.000 0.292 351 G C 0.493 175.490 174.900 0.162 0.000 1.203 351 G CA 0.396 45.547 45.100 0.087 0.000 0.987 351 G HN 0.942 nan 8.290 nan 0.000 0.554 352 N N -0.246 118.549 118.700 0.159 0.000 2.295 352 N HA 0.355 5.095 4.740 0.000 0.000 0.221 352 N C -0.058 175.667 175.510 0.359 0.000 1.129 352 N CA 0.452 53.642 53.050 0.234 0.000 0.836 352 N CB 0.457 39.002 38.487 0.096 0.000 1.040 352 N HN 0.491 nan 8.380 nan 0.000 0.494 353 T N 0.597 115.310 114.554 0.264 0.000 2.848 353 T HA 0.599 4.950 4.350 0.000 0.000 0.285 353 T C -0.978 173.664 174.700 -0.095 0.000 0.995 353 T CA -0.622 61.557 62.100 0.130 0.000 0.970 353 T CB 1.825 70.724 68.868 0.051 0.000 0.976 353 T HN 0.276 nan 8.240 nan 0.000 0.441 354 A N 2.605 125.266 122.820 -0.266 0.000 2.330 354 A HA 0.736 5.057 4.320 0.000 0.000 0.313 354 A C -0.589 176.834 177.584 -0.268 0.000 1.124 354 A CA -0.622 51.139 52.037 -0.459 0.000 0.774 354 A CB 0.945 19.401 19.000 -0.906 0.000 1.198 354 A HN 0.670 nan 8.150 nan 0.000 0.465 355 V N 2.725 122.492 119.914 -0.245 0.000 2.311 355 V HA 0.224 4.344 4.120 0.000 0.000 0.275 355 V C -0.108 175.691 176.094 -0.491 0.000 1.022 355 V CA -0.494 61.653 62.300 -0.255 0.000 0.830 355 V CB 0.327 32.068 31.823 -0.136 0.000 1.012 355 V HN 0.987 nan 8.190 nan 0.000 0.452 356 C N 4.875 123.900 119.300 -0.459 0.000 2.364 356 C HA 0.569 5.030 4.460 0.000 0.000 0.356 356 C C 0.079 174.684 174.990 -0.642 0.000 1.201 356 C CA -0.671 58.044 59.018 -0.504 0.000 2.227 356 C CB 0.234 27.841 27.740 -0.221 0.000 2.387 356 C HN 0.799 nan 8.230 nan 0.000 0.546 357 H N 0.949 120.003 119.070 -0.027 0.000 2.887 357 H HA 0.312 4.868 4.556 0.000 0.000 0.300 357 H C 0.452 175.773 175.328 -0.012 0.000 1.038 357 H CA -0.113 55.924 56.048 -0.018 0.000 1.352 357 H CB 0.772 30.521 29.762 -0.021 0.000 1.473 357 H HN 0.923 nan 8.280 nan 0.000 0.503 358 G N 1.932 110.766 108.800 0.057 0.000 2.414 358 G HA2 0.306 4.266 3.960 0.000 0.000 0.236 358 G HA3 0.306 4.266 3.960 0.000 0.000 0.236 358 G C 0.466 175.391 174.900 0.041 0.000 1.293 358 G CA -0.083 45.038 45.100 0.035 0.000 0.869 358 G HN 0.466 nan 8.290 nan 0.000 0.556 359 V N -0.198 119.733 119.914 0.028 0.000 3.046 359 V HA 0.581 4.701 4.120 0.000 0.000 0.316 359 V C 0.758 176.862 176.094 0.015 0.000 1.104 359 V CA -0.767 61.547 62.300 0.023 0.000 1.006 359 V CB 2.065 33.902 31.823 0.022 0.000 1.058 359 V HN 0.775 nan 8.190 nan 0.000 0.440 360 E N 0.295 120.503 120.200 0.013 0.000 2.158 360 E HA 0.013 4.363 4.350 0.000 0.000 0.191 360 E C 0.392 176.997 176.600 0.009 0.000 0.982 360 E CA 1.046 57.452 56.400 0.010 0.000 0.823 360 E CB 0.272 29.977 29.700 0.009 0.000 0.766 360 E HN 0.739 nan 8.360 nan 0.000 0.468 361 Q N 0.144 119.949 119.800 0.009 0.000 2.309 361 Q HA 0.333 4.673 4.340 0.000 0.000 0.273 361 Q C -1.750 174.255 176.000 0.009 0.000 1.040 361 Q CA -0.256 55.552 55.803 0.009 0.000 0.834 361 Q CB 1.342 30.085 28.738 0.008 0.000 1.345 361 Q HN -0.019 nan 8.270 nan 0.000 0.414 362 L N 1.284 122.512 121.223 0.009 0.000 2.416 362 L HA 0.729 5.069 4.340 0.000 0.000 0.262 362 L C -0.084 176.790 176.870 0.008 0.000 1.093 362 L CA -0.859 53.986 54.840 0.009 0.000 0.801 362 L CB 1.819 43.883 42.059 0.009 0.000 1.191 362 L HN 0.629 nan 8.230 nan 0.000 0.459 363 S N -0.361 115.343 115.700 0.007 0.000 2.500 363 S HA 0.622 5.092 4.470 0.000 0.000 0.301 363 S C -0.176 174.425 174.600 0.002 0.000 1.092 363 S CA -0.628 57.575 58.200 0.005 0.000 1.030 363 S CB 1.495 64.698 63.200 0.005 0.000 1.031 363 S HN 0.725 nan 8.310 nan 0.000 0.483 364 G N 2.090 110.888 108.800 -0.002 0.000 2.441 364 G HA2 0.489 4.449 3.960 0.000 0.000 0.243 364 G HA3 0.489 4.449 3.960 0.000 0.000 0.243 364 G C -0.026 174.868 174.900 -0.011 0.000 1.281 364 G CA 0.148 45.241 45.100 -0.011 0.000 0.854 364 G HN 0.830 nan 8.290 nan 0.000 0.560 365 T N 0.268 114.817 114.554 -0.008 0.000 2.661 365 T HA 0.299 4.649 4.350 0.000 0.000 0.303 365 T C -1.339 173.365 174.700 0.007 0.000 1.658 365 T CA -0.677 61.422 62.100 -0.002 0.000 0.974 365 T CB 0.644 69.513 68.868 0.003 0.000 1.857 365 T HN 0.515 nan 8.240 nan 0.000 0.475 366 E N 0.858 121.067 120.200 0.014 0.000 2.283 366 E HA 0.552 4.903 4.350 0.000 0.000 0.278 366 E C -0.413 176.199 176.600 0.020 0.000 1.027 366 E CA -0.632 55.783 56.400 0.026 0.000 0.843 366 E CB 1.522 31.241 29.700 0.031 0.000 1.062 366 E HN 0.559 nan 8.360 nan 0.000 0.401 367 V N 0.072 119.998 119.914 0.021 0.000 3.159 367 V HA 0.629 4.749 4.120 0.000 0.000 0.308 367 V C -0.724 175.373 176.094 0.005 0.000 1.190 367 V CA -1.043 61.264 62.300 0.013 0.000 1.037 367 V CB 1.729 33.560 31.823 0.014 0.000 1.060 367 V HN 0.533 nan 8.190 nan 0.000 0.437 368 I N 1.952 122.521 120.570 -0.002 0.000 2.436 368 I HA 0.716 4.886 4.170 0.000 0.000 0.289 368 I C 0.562 176.660 176.117 -0.032 0.000 1.010 368 I CA -0.842 60.450 61.300 -0.013 0.000 1.098 368 I CB 1.864 39.864 38.000 -0.001 0.000 1.266 368 I HN 0.979 nan 8.210 nan 0.000 0.434 369 A N 3.754 126.540 122.820 -0.056 0.000 2.454 369 A HA 0.361 4.681 4.320 0.000 0.000 0.260 369 A C 1.075 178.558 177.584 -0.168 0.000 1.106 369 A CA 0.076 52.048 52.037 -0.108 0.000 0.780 369 A CB -0.019 18.916 19.000 -0.108 0.000 1.044 369 A HN 0.882 nan 8.150 nan 0.000 0.498 370 T N -0.797 113.602 114.554 -0.260 0.000 3.015 370 T HA 0.299 4.650 4.350 0.000 0.000 0.250 370 T C 0.193 174.519 174.700 -0.622 0.000 1.057 370 T CA 0.775 62.700 62.100 -0.290 0.000 1.066 370 T CB -0.455 68.338 68.868 -0.125 0.000 0.959 370 T HN 0.832 nan 8.240 nan 0.000 0.488 371 D N -0.964 118.992 120.400 -0.739 0.000 2.692 371 D HA 0.392 5.032 4.640 0.000 0.000 0.303 371 D C 0.665 176.702 176.300 -0.439 0.000 1.278 371 D CA -0.930 52.668 54.000 -0.670 0.000 0.852 371 D CB 0.674 41.297 40.800 -0.294 0.000 1.375 371 D HN -0.099 nan 8.370 nan 0.000 0.453 372 L N 0.385 121.497 121.223 -0.185 0.000 1.971 372 L HA -0.054 4.286 4.340 0.000 0.000 0.215 372 L C 1.968 178.848 176.870 0.017 0.000 1.072 372 L CA 1.795 56.626 54.840 -0.015 0.000 0.758 372 L CB -0.607 41.476 42.059 0.040 0.000 0.889 372 L HN 0.463 nan 8.230 nan 0.000 0.433 373 R N -0.238 120.258 120.500 -0.008 0.000 2.148 373 R HA 0.067 4.407 4.340 0.000 0.000 0.223 373 R C 2.125 178.374 176.300 -0.085 0.000 1.088 373 R CA 1.094 57.196 56.100 0.004 0.000 0.985 373 R CB -1.035 29.263 30.300 -0.003 0.000 0.880 373 R HN 0.563 nan 8.270 nan 0.000 0.451 374 A N 1.395 124.146 122.820 -0.115 0.000 1.929 374 A HA -0.150 4.170 4.320 0.000 0.000 0.216 374 A C 2.360 179.884 177.584 -0.100 0.000 1.176 374 A CA 1.678 53.651 52.037 -0.106 0.000 0.628 374 A CB -0.464 18.509 19.000 -0.044 0.000 0.816 374 A HN 0.421 nan 8.150 nan 0.000 0.444 375 S N 0.145 115.768 115.700 -0.129 0.000 2.359 375 S HA -0.203 4.267 4.470 0.000 0.000 0.224 375 S C 1.865 176.396 174.600 -0.115 0.000 1.035 375 S CA 1.559 59.687 58.200 -0.120 0.000 1.018 375 S CB -0.619 62.510 63.200 -0.119 0.000 0.876 375 S HN 0.479 nan 8.310 nan 0.000 0.448 376 I N 2.208 122.672 120.570 -0.177 0.000 2.315 376 I HA -0.053 4.117 4.170 0.000 0.000 0.248 376 I C 2.290 178.304 176.117 -0.171 0.000 1.117 376 I CA 1.107 62.240 61.300 -0.278 0.000 1.404 376 I CB -0.757 36.857 38.000 -0.643 0.000 1.071 376 I HN 0.282 nan 8.210 nan 0.000 0.419 377 S N 0.456 116.077 115.700 -0.131 0.000 2.382 377 S HA -0.121 4.350 4.470 0.000 0.000 0.228 377 S C 1.964 176.540 174.600 -0.041 0.000 1.027 377 S CA 1.548 59.697 58.200 -0.086 0.000 0.991 377 S CB -0.454 62.690 63.200 -0.094 0.000 0.823 377 S HN 0.468 nan 8.310 nan 0.000 0.469 378 L N 0.815 122.021 121.223 -0.029 0.000 2.109 378 L HA -0.039 4.301 4.340 0.000 0.000 0.207 378 L C 2.294 179.173 176.870 0.015 0.000 1.086 378 L CA 0.707 55.547 54.840 0.001 0.000 0.760 378 L CB -0.636 41.423 42.059 0.001 0.000 0.910 378 L HN 0.203 nan 8.230 nan 0.000 0.437 379 V N -0.296 119.629 119.914 0.019 0.000 2.307 379 V HA -0.273 3.847 4.120 0.000 0.000 0.245 379 V C 2.429 178.538 176.094 0.026 0.000 1.045 379 V CA 1.280 63.620 62.300 0.066 0.000 1.024 379 V CB -0.363 31.529 31.823 0.116 0.000 0.651 379 V HN 0.250 nan 8.190 nan 0.000 0.449 380 L N 0.485 121.702 121.223 -0.011 0.000 2.046 380 L HA -0.104 4.236 4.340 0.000 0.000 0.208 380 L C 2.590 179.459 176.870 -0.001 0.000 1.077 380 L CA 2.271 57.103 54.840 -0.012 0.000 0.747 380 L CB -1.496 40.538 42.059 -0.043 0.000 0.896 380 L HN 0.317 nan 8.230 nan 0.000 0.432 381 A N -0.794 122.025 122.820 -0.001 0.000 1.933 381 A HA -0.102 4.218 4.320 0.000 0.000 0.218 381 A C 2.395 179.985 177.584 0.011 0.000 1.175 381 A CA 1.572 53.612 52.037 0.006 0.000 0.628 381 A CB -1.239 17.768 19.000 0.011 0.000 0.814 381 A HN 0.448 nan 8.150 nan 0.000 0.444 382 G N -1.053 107.756 108.800 0.015 0.000 2.432 382 G HA2 -0.236 3.724 3.960 0.000 0.000 0.219 382 G HA3 -0.236 3.724 3.960 0.000 0.000 0.219 382 G C 1.499 176.408 174.900 0.015 0.000 1.135 382 G CA 1.270 46.378 45.100 0.014 0.000 0.767 382 G HN 0.529 nan 8.290 nan 0.000 0.550 383 C N 0.675 119.987 119.300 0.020 0.000 2.435 383 C HA 0.050 4.510 4.460 0.000 0.000 0.279 383 C C 2.555 177.560 174.990 0.025 0.000 1.321 383 C CA 0.841 59.875 59.018 0.026 0.000 1.752 383 C CB -0.855 26.901 27.740 0.026 0.000 1.959 383 C HN 0.664 nan 8.230 nan 0.000 0.500 384 I N -1.230 119.351 120.570 0.017 0.000 3.956 384 I HA 0.404 4.574 4.170 0.000 0.000 0.333 384 I C 0.906 177.031 176.117 0.014 0.000 1.302 384 I CA -0.153 61.156 61.300 0.015 0.000 1.122 384 I CB -0.352 37.653 38.000 0.008 0.000 1.013 384 I HN 0.062 nan 8.210 nan 0.000 0.405 385 A N 1.808 124.636 122.820 0.013 0.000 2.304 385 A HA 0.556 4.877 4.320 0.000 0.000 0.271 385 A C 0.678 178.270 177.584 0.014 0.000 1.091 385 A CA 0.135 52.178 52.037 0.011 0.000 0.812 385 A CB 0.135 19.139 19.000 0.007 0.000 1.056 385 A HN 0.491 nan 8.150 nan 0.000 0.489 386 T N -0.547 114.015 114.554 0.013 0.000 2.899 386 T HA 0.549 4.899 4.350 0.000 0.000 0.295 386 T C 0.956 175.664 174.700 0.014 0.000 1.033 386 T CA 0.419 62.529 62.100 0.017 0.000 1.084 386 T CB 0.699 69.575 68.868 0.014 0.000 0.979 386 T HN 2.586 nan 8.240 nan 0.000 0.532 387 G N 1.550 110.366 108.800 0.026 0.000 2.528 387 G HA2 -0.216 3.744 3.960 0.000 0.000 0.262 387 G HA3 -0.216 3.744 3.960 0.000 0.000 0.262 387 G C -0.399 174.497 174.900 -0.005 0.000 1.200 387 G CA 0.265 45.379 45.100 0.023 0.000 0.951 387 G HN 1.170 nan 8.290 nan 0.000 0.566 388 E N -0.453 119.708 120.200 -0.065 0.000 2.207 388 E HA 0.666 5.016 4.350 0.000 0.000 0.270 388 E C -0.819 175.700 176.600 -0.136 0.000 0.927 388 E CA -0.366 55.917 56.400 -0.196 0.000 0.799 388 E CB 1.527 31.050 29.700 -0.295 0.000 1.172 388 E HN 0.501 nan 8.360 nan 0.000 0.404 389 T N 3.746 118.209 114.554 -0.151 0.000 2.861 389 T HA 0.488 4.838 4.350 0.000 0.000 0.287 389 T C -0.530 174.153 174.700 -0.028 0.000 1.003 389 T CA -0.505 61.559 62.100 -0.060 0.000 0.977 389 T CB 0.662 69.517 68.868 -0.022 0.000 0.996 389 T HN 0.350 nan 8.240 nan 0.000 0.448 390 I N 2.812 123.401 120.570 0.031 0.000 2.418 390 I HA 0.461 4.631 4.170 0.000 0.000 0.287 390 I C -0.710 175.469 176.117 0.103 0.000 1.008 390 I CA -1.034 60.337 61.300 0.119 0.000 1.104 390 I CB 1.905 39.999 38.000 0.157 0.000 1.264 390 I HN 0.254 nan 8.210 nan 0.000 0.438 391 V N 5.191 125.180 119.914 0.125 0.000 2.357 391 V HA 0.303 4.423 4.120 0.000 0.000 0.284 391 V C -0.037 176.042 176.094 -0.026 0.000 1.018 391 V CA -0.563 61.766 62.300 0.047 0.000 0.841 391 V CB 1.554 33.410 31.823 0.055 0.000 0.991 391 V HN 0.625 nan 8.190 nan 0.000 0.437 392 D N 3.203 123.577 120.400 -0.044 0.000 2.423 392 D HA 0.333 4.973 4.640 0.000 0.000 0.255 392 D C 0.795 177.028 176.300 -0.113 0.000 1.174 392 D CA -0.454 53.498 54.000 -0.080 0.000 1.008 392 D CB 0.763 41.541 40.800 -0.037 0.000 1.101 392 D HN 0.488 nan 8.370 nan 0.000 0.516 393 R N 0.386 120.829 120.500 -0.095 0.000 3.484 393 R HA -0.231 4.109 4.340 0.000 0.000 0.260 393 R C 1.011 177.076 176.300 -0.392 0.000 1.053 393 R CA -0.020 55.990 56.100 -0.149 0.000 0.703 393 R CB -1.944 28.300 30.300 -0.093 0.000 1.089 393 R HN 0.359 nan 8.270 nan 0.000 0.459 394 I N 0.974 121.343 120.570 -0.336 0.000 3.241 394 I HA -0.198 3.972 4.170 0.000 0.000 0.280 394 I C 1.942 177.813 176.117 -0.409 0.000 1.320 394 I CA 0.711 61.731 61.300 -0.467 0.000 1.413 394 I CB -0.282 37.220 38.000 -0.829 0.000 1.060 394 I HN 0.367 nan 8.210 nan 0.000 0.500 395 Y N -1.664 118.485 120.300 -0.251 0.000 2.497 395 Y HA -0.169 4.382 4.550 0.000 0.000 0.292 395 Y C 2.128 177.923 175.900 -0.175 0.000 1.137 395 Y CA 1.310 59.277 58.100 -0.222 0.000 1.285 395 Y CB -1.729 36.587 38.460 -0.240 0.000 0.991 395 Y HN 0.300 nan 8.280 nan 0.000 0.556 396 H N 1.088 119.796 119.070 -0.604 0.000 2.353 396 H HA -0.116 4.440 4.556 0.000 0.000 0.300 396 H C 2.228 177.493 175.328 -0.105 0.000 1.090 396 H CA 2.309 58.153 56.048 -0.340 0.000 1.327 396 H CB -0.184 29.334 29.762 -0.406 0.000 1.383 396 H HN 0.596 nan 8.280 nan 0.000 0.508 397 I N -0.793 119.785 120.570 0.014 0.000 2.208 397 I HA -0.212 3.958 4.170 0.000 0.000 0.245 397 I C 1.034 177.257 176.117 0.177 0.000 1.097 397 I CA 1.625 62.991 61.300 0.109 0.000 1.363 397 I CB -0.278 37.741 38.000 0.032 0.000 1.051 397 I HN 0.075 nan 8.210 nan 0.000 0.413 398 D N 1.445 121.901 120.400 0.094 0.000 2.403 398 D HA -0.101 4.539 4.640 0.000 0.000 0.227 398 D C 2.049 178.392 176.300 0.073 0.000 0.995 398 D CA 0.684 54.736 54.000 0.087 0.000 0.928 398 D CB -0.234 40.600 40.800 0.057 0.000 0.887 398 D HN 0.574 nan 8.370 nan 0.000 0.529 399 R N -0.380 120.173 120.500 0.088 0.000 2.210 399 R HA 0.100 4.440 4.340 0.000 0.000 0.203 399 R C 1.779 178.090 176.300 0.018 0.000 1.010 399 R CA 0.798 56.933 56.100 0.059 0.000 1.008 399 R CB 0.440 30.786 30.300 0.077 0.000 0.923 399 R HN 0.114 nan 8.270 nan 0.000 0.469 400 G N -1.316 107.490 108.800 0.011 0.000 3.581 400 G HA2 0.086 4.046 3.960 0.000 0.000 0.248 400 G HA3 0.086 4.046 3.960 0.000 0.000 0.248 400 G C -0.550 174.096 174.900 -0.424 0.000 1.037 400 G CA -0.189 44.794 45.100 -0.194 0.000 0.902 400 G HN 0.051 nan 8.290 nan 0.000 0.512 401 Y N 1.231 121.543 120.300 0.019 0.000 2.363 401 Y HA 0.442 4.992 4.550 0.001 0.000 0.325 401 Y C 0.125 176.055 175.900 0.051 0.000 0.984 401 Y CA -1.284 56.843 58.100 0.045 0.000 1.248 401 Y CB 1.402 39.892 38.460 0.050 0.000 1.116 401 Y HN 0.059 nan 8.280 nan 0.000 0.470 402 E N 2.795 123.077 120.200 0.137 0.000 2.376 402 E HA 0.034 4.384 4.350 0.000 0.000 0.266 402 E C -0.397 176.281 176.600 0.129 0.000 1.009 402 E CA -0.181 56.233 56.400 0.024 0.000 0.902 402 E CB 0.241 29.970 29.700 0.048 0.000 0.972 402 E HN 0.788 nan 8.360 nan 0.000 0.439 403 H N 2.332 121.494 119.070 0.154 0.000 2.355 403 H HA -0.229 4.327 4.556 0.000 0.000 0.324 403 H C 0.798 176.231 175.328 0.176 0.000 1.015 403 H CA 0.364 56.496 56.048 0.141 0.000 1.101 403 H CB -1.163 28.656 29.762 0.095 0.000 1.555 403 H HN 0.521 nan 8.280 nan 0.000 0.386 404 I N 0.512 121.259 120.570 0.295 0.000 2.361 404 I HA -0.211 3.960 4.170 0.000 0.000 0.251 404 I C 1.940 178.177 176.117 0.201 0.000 1.133 404 I CA 1.667 63.149 61.300 0.304 0.000 1.413 404 I CB -0.154 38.016 38.000 0.283 0.000 1.073 404 I HN 0.467 nan 8.210 nan 0.000 0.424 405 E N 0.172 120.459 120.200 0.145 0.000 2.051 405 E HA -0.211 4.139 4.350 0.000 0.000 0.192 405 E C 1.763 178.372 176.600 0.015 0.000 0.991 405 E CA 1.537 57.929 56.400 -0.013 0.000 0.799 405 E CB -0.208 29.469 29.700 -0.039 0.000 0.748 405 E HN 0.534 nan 8.360 nan 0.000 0.449 406 D N 0.778 121.221 120.400 0.070 0.000 2.117 406 D HA -0.115 4.525 4.640 0.000 0.000 0.198 406 D C 1.746 178.052 176.300 0.011 0.000 0.982 406 D CA 0.970 54.989 54.000 0.031 0.000 0.828 406 D CB -0.106 40.710 40.800 0.027 0.000 0.967 406 D HN 0.114 nan 8.370 nan 0.000 0.464 407 K N 0.472 120.900 120.400 0.047 0.000 2.026 407 K HA -0.055 4.265 4.320 0.000 0.000 0.208 407 K C 2.400 178.962 176.600 -0.063 0.000 1.048 407 K CA 0.639 56.900 56.287 -0.043 0.000 0.929 407 K CB -0.188 32.307 32.500 -0.008 0.000 0.713 407 K HN 0.144 nan 8.250 nan 0.000 0.439 408 L N 0.351 121.608 121.223 0.057 0.000 2.056 408 L HA -0.136 4.205 4.340 0.000 0.000 0.207 408 L C 2.684 179.555 176.870 0.002 0.000 1.078 408 L CA 0.991 55.870 54.840 0.065 0.000 0.749 408 L CB -0.297 41.816 42.059 0.089 0.000 0.901 408 L HN 0.151 nan 8.230 nan 0.000 0.433 409 R N 0.215 120.706 120.500 -0.016 0.000 2.120 409 R HA -0.124 4.217 4.340 0.000 0.000 0.234 409 R C 2.117 178.397 176.300 -0.033 0.000 1.123 409 R CA 1.272 57.356 56.100 -0.027 0.000 0.975 409 R CB -0.367 29.914 30.300 -0.032 0.000 0.866 409 R HN 0.371 nan 8.270 nan 0.000 0.446 410 G N -0.536 108.237 108.800 -0.045 0.000 2.598 410 G HA2 -0.089 3.871 3.960 0.000 0.000 0.215 410 G HA3 -0.089 3.871 3.960 0.000 0.000 0.215 410 G C 0.989 175.852 174.900 -0.062 0.000 1.131 410 G CA 0.167 45.231 45.100 -0.060 0.000 0.785 410 G HN 0.254 nan 8.290 nan 0.000 0.539 411 L N -0.159 121.033 121.223 -0.053 0.000 2.769 411 L HA 0.339 4.679 4.340 0.000 0.000 0.240 411 L C 1.698 178.558 176.870 -0.015 0.000 1.163 411 L CA 0.365 55.181 54.840 -0.039 0.000 0.962 411 L CB 0.444 42.483 42.059 -0.032 0.000 1.258 411 L HN 0.292 nan 8.230 nan 0.000 0.513 412 G N 0.134 108.923 108.800 -0.017 0.000 2.176 412 G HA2 -0.221 3.740 3.960 0.000 0.000 0.232 412 G HA3 -0.221 3.740 3.960 0.000 0.000 0.232 412 G C 0.345 175.244 174.900 -0.002 0.000 0.986 412 G CA -0.071 45.023 45.100 -0.010 0.000 0.643 412 G HN 0.435 nan 8.290 nan 0.000 0.522 413 A N 0.119 122.939 122.820 0.001 0.000 2.354 413 A HA 0.671 4.991 4.320 0.000 0.000 0.269 413 A C 0.465 178.053 177.584 0.007 0.000 1.109 413 A CA 0.449 52.492 52.037 0.011 0.000 0.800 413 A CB 0.616 19.623 19.000 0.011 0.000 1.045 413 A HN 0.505 nan 8.150 nan 0.000 0.489 414 K N 2.780 123.203 120.400 0.038 0.000 2.347 414 K HA 0.570 4.890 4.320 0.000 0.000 0.262 414 K C -1.469 175.202 176.600 0.118 0.000 1.052 414 K CA -0.146 56.175 56.287 0.056 0.000 0.946 414 K CB 0.383 32.914 32.500 0.051 0.000 1.220 414 K HN 0.707 nan 8.250 nan 0.000 0.450 415 I N 2.770 123.357 120.570 0.027 0.000 2.569 415 I HA 0.311 4.482 4.170 0.000 0.000 0.290 415 I C -1.471 174.613 176.117 -0.055 0.000 1.088 415 I CA -0.518 60.759 61.300 -0.038 0.000 1.047 415 I CB 1.851 39.718 38.000 -0.221 0.000 1.237 415 I HN 0.606 nan 8.210 nan 0.000 0.421 416 E N 6.658 126.874 120.200 0.026 0.000 2.176 416 E HA 0.377 4.727 4.350 0.000 0.000 0.267 416 E C -1.007 175.731 176.600 0.231 0.000 0.893 416 E CA -0.866 55.588 56.400 0.090 0.000 0.761 416 E CB 2.196 31.970 29.700 0.123 0.000 1.133 416 E HN 0.403 nan 8.360 nan 0.000 0.409 417 R N 4.774 125.423 120.500 0.247 0.000 2.205 417 R HA 0.286 4.626 4.340 0.000 0.000 0.342 417 R C -1.072 175.486 176.300 0.429 0.000 1.058 417 R CA -0.194 56.177 56.100 0.452 0.000 0.904 417 R CB 0.071 30.617 30.300 0.410 0.000 1.089 417 R HN 0.468 nan 8.270 nan 0.000 0.471 418 F N 0.268 120.323 119.950 0.175 0.000 2.618 418 F HA 0.581 5.108 4.527 0.000 0.000 0.332 418 F C -0.562 175.292 175.800 0.089 0.000 1.061 418 F CA -1.246 56.821 58.000 0.110 0.000 0.974 418 F CB 1.692 40.746 39.000 0.090 0.000 1.310 418 F HN 0.184 nan 8.300 nan 0.000 0.491 419 S N 1.062 116.759 115.700 -0.005 0.000 2.433 419 S HA 0.602 5.072 4.470 0.000 0.000 0.310 419 S C 0.196 174.738 174.600 -0.095 0.000 1.097 419 S CA -0.271 57.854 58.200 -0.125 0.000 1.103 419 S CB 0.291 63.481 63.200 -0.016 0.000 0.992 419 S HN 1.189 nan 8.310 nan 0.000 0.469 420 G N 0.000 108.671 108.800 -0.215 0.000 5.446 420 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 420 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 420 G CA 0.000 45.059 45.100 -0.068 0.000 0.502 420 G HN 0.000 nan 8.290 nan 0.000 0.925