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 2chr_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKIDAIEAVI VDVPTKRPIQ MSITTVHQQS YVIVRVYSEG LVGVGEGGSV DATA SEQUENCE GGPVWSAECA ETIKIIVERY LAPHLLGTDA FNVSGALQTM ARAVTGNASA DATA SEQUENCE KAAVEMALLD LKARALGVSI AELLGGPLRS AIPIAWTLAS GDTKRDLDSA DATA SEQUENCE VEMIERRRHN RFKVKLGFRS PQDDLIHMEA LSNSLGSKAY LRVDVNQAWD DATA SEQUENCE EQVASVYIPE LEALGVELIE QPVGRENTQA LRRLSDNNRV AIMADESLST DATA SEQUENCE LASAFDLARD RSVDVFSLKL CNMGGVSATQ KIAAVAEASG IASYGGTMLD DATA SEQUENCE STIGTSVALQ LYSTVPSLPF GCELIGPFVL ADTLSHEPLE IRDYELQVPT DATA SEQUENCE GVGHGMTLDE DKVRQYARVS 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 0.000 176.257 176.300 -0.071 0.000 1.140 1 M CA 0.000 55.154 55.300 -0.243 0.000 0.988 1 M CB 0.000 32.456 32.600 -0.241 0.000 1.302 2 K N 1.872 122.250 120.400 -0.037 0.000 6.478 2 K HA -0.106 4.214 4.320 -0.000 0.000 0.706 2 K C -0.757 175.860 176.600 0.029 0.000 2.136 2 K CA 0.796 57.083 56.287 0.000 0.000 1.616 2 K CB -0.860 31.633 32.500 -0.012 0.000 1.834 2 K HN 0.512 nan 8.250 nan 0.000 0.304 3 I N 4.443 125.040 120.570 0.044 0.000 2.505 3 I HA -0.094 4.076 4.170 -0.000 0.000 0.287 3 I C 1.660 177.809 176.117 0.053 0.000 1.104 3 I CA -0.012 61.323 61.300 0.059 0.000 1.387 3 I CB 0.397 38.432 38.000 0.059 0.000 1.404 3 I HN 0.457 nan 8.210 nan 0.000 0.528 4 D N 5.528 125.968 120.400 0.068 0.000 2.107 4 D HA 0.098 4.738 4.640 -0.000 0.000 0.204 4 D C 0.597 176.936 176.300 0.066 0.000 0.978 4 D CA 0.979 55.014 54.000 0.058 0.000 0.852 4 D CB 0.208 41.046 40.800 0.063 0.000 1.008 4 D HN 0.598 nan 8.370 nan 0.000 0.458 5 A N -0.190 122.699 122.820 0.116 0.000 2.547 5 A HA 0.602 4.922 4.320 -0.000 0.000 0.297 5 A C -1.350 176.352 177.584 0.196 0.000 1.056 5 A CA -0.610 51.503 52.037 0.127 0.000 0.688 5 A CB 1.270 20.326 19.000 0.095 0.000 1.282 5 A HN 0.071 nan 8.150 nan 0.000 0.400 6 I N 1.984 122.631 120.570 0.128 0.000 2.354 6 I HA 0.359 4.529 4.170 -0.000 0.000 0.286 6 I C 0.153 176.336 176.117 0.109 0.000 1.007 6 I CA -0.124 61.232 61.300 0.094 0.000 1.167 6 I CB 1.439 39.467 38.000 0.047 0.000 1.320 6 I HN 0.842 nan 8.210 nan 0.000 0.458 7 E N 5.501 125.793 120.200 0.153 0.000 2.222 7 E HA 0.837 5.187 4.350 -0.000 0.000 0.267 7 E C -1.336 175.309 176.600 0.076 0.000 0.963 7 E CA -0.757 55.738 56.400 0.157 0.000 0.837 7 E CB 2.284 32.178 29.700 0.324 0.000 1.183 7 E HN 0.703 nan 8.360 nan 0.000 0.403 8 A N 2.139 124.999 122.820 0.066 0.000 2.517 8 A HA 0.553 4.873 4.320 -0.000 0.000 0.297 8 A C -1.290 176.324 177.584 0.049 0.000 1.050 8 A CA -0.513 51.550 52.037 0.042 0.000 0.694 8 A CB 1.413 20.431 19.000 0.031 0.000 1.277 8 A HN 0.562 nan 8.150 nan 0.000 0.400 9 V N 0.465 120.408 119.914 0.047 0.000 2.962 9 V HA 0.818 4.938 4.120 -0.000 0.000 0.313 9 V C -0.789 175.338 176.094 0.056 0.000 1.099 9 V CA -0.893 61.438 62.300 0.052 0.000 0.971 9 V CB 1.674 33.533 31.823 0.060 0.000 1.028 9 V HN 0.802 nan 8.190 nan 0.000 0.430 10 I N 4.154 124.759 120.570 0.058 0.000 2.396 10 I HA 0.634 4.804 4.170 -0.000 0.000 0.292 10 I C -0.426 175.741 176.117 0.084 0.000 0.999 10 I CA -0.809 60.530 61.300 0.065 0.000 1.310 10 I CB 1.852 39.881 38.000 0.048 0.000 1.404 10 I HN 0.776 nan 8.210 nan 0.000 0.496 11 V N 1.664 121.643 119.914 0.107 0.000 2.623 11 V HA 0.508 4.628 4.120 -0.000 0.000 0.304 11 V C -1.241 174.921 176.094 0.113 0.000 1.054 11 V CA -0.787 61.594 62.300 0.137 0.000 0.882 11 V CB 1.842 33.752 31.823 0.146 0.000 1.002 11 V HN 0.499 nan 8.190 nan 0.000 0.424 12 D N 4.012 124.476 120.400 0.107 0.000 2.412 12 D HA 0.563 5.203 4.640 -0.000 0.000 0.224 12 D C -0.311 175.983 176.300 -0.010 0.000 1.093 12 D CA -0.005 54.012 54.000 0.028 0.000 0.850 12 D CB 1.950 42.778 40.800 0.046 0.000 1.046 12 D HN 0.534 nan 8.370 nan 0.000 0.507 13 V N 4.354 124.189 119.914 -0.131 0.000 2.417 13 V HA 0.370 4.490 4.120 -0.000 0.000 0.291 13 V C -2.148 173.886 176.094 -0.100 0.000 1.024 13 V CA -1.852 60.295 62.300 -0.256 0.000 0.861 13 V CB 1.837 33.493 31.823 -0.278 0.000 0.985 13 V HN 0.313 nan 8.190 nan 0.000 0.436 14 P HA 0.277 nan 4.420 nan 0.000 0.274 14 P C -0.197 177.111 177.300 0.013 0.000 1.246 14 P CA -0.210 62.899 63.100 0.014 0.000 0.795 14 P CB 0.353 32.091 31.700 0.064 0.000 1.006 15 T N -2.077 112.492 114.554 0.025 0.000 2.845 15 T HA 0.305 4.655 4.350 -0.000 0.000 0.288 15 T C 1.041 175.776 174.700 0.057 0.000 0.980 15 T CA -0.777 61.341 62.100 0.030 0.000 1.071 15 T CB 0.947 69.819 68.868 0.007 0.000 0.941 15 T HN 0.213 nan 8.240 nan 0.000 0.487 16 K N 1.194 121.639 120.400 0.075 0.000 2.044 16 K HA -0.077 4.243 4.320 -0.000 0.000 0.210 16 K C 0.942 177.594 176.600 0.086 0.000 1.049 16 K CA 1.364 57.705 56.287 0.090 0.000 0.927 16 K CB 0.015 32.586 32.500 0.120 0.000 0.713 16 K HN 0.527 nan 8.250 nan 0.000 0.443 17 R N -0.272 120.277 120.500 0.082 0.000 2.771 17 R HA 0.282 4.622 4.340 -0.000 0.000 0.274 17 R C -2.776 173.543 176.300 0.031 0.000 0.987 17 R CA -2.183 53.959 56.100 0.071 0.000 0.908 17 R CB 1.969 32.322 30.300 0.087 0.000 1.213 17 R HN -0.134 nan 8.270 nan 0.000 0.468 18 P HA 0.072 nan 4.420 nan 0.000 0.268 18 P C -0.613 176.609 177.300 -0.130 0.000 1.208 18 P CA 0.196 63.245 63.100 -0.086 0.000 0.777 18 P CB 0.554 32.204 31.700 -0.084 0.000 0.875 19 I N 1.588 122.038 120.570 -0.201 0.000 2.595 19 I HA 0.171 4.341 4.170 -0.000 0.000 0.275 19 I C 0.308 176.282 176.117 -0.238 0.000 1.092 19 I CA -0.475 60.714 61.300 -0.184 0.000 1.145 19 I CB 0.901 38.809 38.000 -0.153 0.000 1.276 19 I HN 0.297 nan 8.210 nan 0.000 0.497 20 Q N 6.617 126.232 119.800 -0.309 0.000 2.307 20 Q HA 0.355 4.695 4.340 -0.000 0.000 0.261 20 Q C -0.576 175.183 176.000 -0.402 0.000 1.051 20 Q CA 0.154 55.679 55.803 -0.464 0.000 0.911 20 Q CB 0.780 29.081 28.738 -0.727 0.000 1.227 20 Q HN 0.598 nan 8.270 nan 0.000 0.418 21 M N 1.139 120.628 119.600 -0.184 0.000 2.686 21 M HA 0.271 4.751 4.480 -0.000 0.000 0.262 21 M C 1.152 177.543 176.300 0.152 0.000 1.139 21 M CA -0.661 54.667 55.300 0.046 0.000 0.928 21 M CB 1.248 33.869 32.600 0.035 0.000 1.482 21 M HN 0.495 nan 8.290 nan 0.000 0.545 22 S N 0.435 116.229 115.700 0.157 0.000 2.436 22 S HA 0.016 4.486 4.470 -0.000 0.000 0.228 22 S C 1.630 176.254 174.600 0.039 0.000 1.014 22 S CA 0.889 59.157 58.200 0.114 0.000 0.950 22 S CB -0.418 62.769 63.200 -0.022 0.000 0.784 22 S HN 0.681 nan 8.310 nan 0.000 0.504 23 I N -1.592 118.986 120.570 0.013 0.000 2.867 23 I HA 0.243 4.413 4.170 -0.000 0.000 0.265 23 I C 0.113 176.227 176.117 -0.005 0.000 1.162 23 I CA 0.433 61.730 61.300 -0.005 0.000 1.471 23 I CB 0.214 38.203 38.000 -0.019 0.000 1.123 23 I HN -0.009 nan 8.210 nan 0.000 0.440 24 T N 0.769 115.313 114.554 -0.016 0.000 2.775 24 T HA 0.315 4.665 4.350 -0.000 0.000 0.320 24 T C -0.620 174.010 174.700 -0.117 0.000 1.597 24 T CA -0.407 61.665 62.100 -0.048 0.000 1.022 24 T CB 1.847 70.701 68.868 -0.023 0.000 1.485 24 T HN 0.318 nan 8.240 nan 0.000 0.494 25 T N -0.742 113.705 114.554 -0.178 0.000 2.795 25 T HA 0.635 4.985 4.350 -0.000 0.000 0.282 25 T C -0.240 174.223 174.700 -0.395 0.000 0.980 25 T CA -0.687 61.210 62.100 -0.339 0.000 1.012 25 T CB 0.785 69.378 68.868 -0.458 0.000 0.936 25 T HN 0.373 nan 8.240 nan 0.000 0.457 26 V N 4.664 124.367 119.914 -0.351 0.000 2.322 26 V HA 0.215 4.335 4.120 -0.000 0.000 0.258 26 V C 0.595 176.531 176.094 -0.264 0.000 1.074 26 V CA -0.348 61.802 62.300 -0.250 0.000 0.909 26 V CB -0.684 31.043 31.823 -0.160 0.000 1.090 26 V HN 1.022 nan 8.190 nan 0.000 0.486 27 H N 1.910 120.947 119.070 -0.055 0.000 2.520 27 H HA 0.230 4.786 4.556 -0.000 0.000 0.279 27 H C 0.978 176.283 175.328 -0.038 0.000 0.990 27 H CA 0.439 56.463 56.048 -0.040 0.000 1.288 27 H CB 0.695 30.438 29.762 -0.033 0.000 1.446 27 H HN 0.602 nan 8.280 nan 0.000 0.538 28 Q N 0.322 120.154 119.800 0.053 0.000 2.456 28 Q HA 0.300 4.640 4.340 -0.000 0.000 0.284 28 Q C -1.715 174.228 176.000 -0.096 0.000 1.061 28 Q CA -1.060 54.737 55.803 -0.010 0.000 0.799 28 Q CB 2.242 30.984 28.738 0.007 0.000 1.445 28 Q HN 0.055 nan 8.270 nan 0.000 0.411 29 Q N 1.004 120.702 119.800 -0.170 0.000 2.303 29 Q HA 0.444 4.784 4.340 -0.000 0.000 0.267 29 Q C -1.753 173.883 176.000 -0.606 0.000 1.011 29 Q CA -0.143 55.443 55.803 -0.361 0.000 0.740 29 Q CB 2.174 30.712 28.738 -0.334 0.000 1.250 29 Q HN 0.601 nan 8.270 nan 0.000 0.458 30 S N 3.248 118.623 115.700 -0.542 0.000 2.586 30 S HA 0.671 5.141 4.470 -0.000 0.000 0.274 30 S C -0.896 173.313 174.600 -0.652 0.000 1.281 30 S CA -0.234 57.697 58.200 -0.448 0.000 1.035 30 S CB 0.452 63.530 63.200 -0.202 0.000 0.962 30 S HN 0.513 nan 8.310 nan 0.000 0.512 31 Y N -0.453 119.822 120.300 -0.043 0.000 2.805 31 Y HA 0.679 5.229 4.550 -0.000 0.000 0.323 31 Y C -0.481 175.402 175.900 -0.029 0.000 1.279 31 Y CA -1.221 56.850 58.100 -0.047 0.000 1.103 31 Y CB 1.211 39.631 38.460 -0.066 0.000 1.324 31 Y HN 0.307 nan 8.280 nan 0.000 0.498 32 V N 2.860 122.880 119.914 0.177 0.000 2.637 32 V HA 0.277 4.397 4.120 -0.000 0.000 0.274 32 V C -0.810 175.309 176.094 0.042 0.000 1.004 32 V CA -0.703 61.647 62.300 0.083 0.000 0.894 32 V CB 0.855 32.711 31.823 0.055 0.000 1.046 32 V HN 0.596 nan 8.190 nan 0.000 0.467 33 I N 1.871 122.456 120.570 0.025 0.000 2.371 33 I HA 0.641 4.811 4.170 -0.000 0.000 0.290 33 I C -0.388 175.717 176.117 -0.021 0.000 1.028 33 I CA -0.354 60.934 61.300 -0.021 0.000 1.345 33 I CB 1.454 39.434 38.000 -0.032 0.000 1.407 33 I HN 0.212 nan 8.210 nan 0.000 0.501 34 V N 6.981 126.866 119.914 -0.048 0.000 2.294 34 V HA 0.353 4.473 4.120 -0.000 0.000 0.272 34 V C 0.457 176.483 176.094 -0.113 0.000 1.027 34 V CA -0.487 61.779 62.300 -0.056 0.000 0.823 34 V CB 0.555 32.351 31.823 -0.046 0.000 1.030 34 V HN 0.711 nan 8.190 nan 0.000 0.457 35 R N 3.065 123.472 120.500 -0.155 0.000 2.248 35 R HA 0.372 4.712 4.340 -0.000 0.000 0.337 35 R C -0.459 175.517 176.300 -0.540 0.000 1.106 35 R CA -0.239 55.635 56.100 -0.377 0.000 0.959 35 R CB 1.513 31.535 30.300 -0.462 0.000 1.075 35 R HN 0.524 nan 8.270 nan 0.000 0.480 36 V N 6.610 126.292 119.914 -0.387 0.000 2.339 36 V HA 0.206 4.326 4.120 -0.000 0.000 0.261 36 V C -0.927 175.014 176.094 -0.256 0.000 1.058 36 V CA -0.474 61.683 62.300 -0.237 0.000 0.897 36 V CB -0.028 31.741 31.823 -0.089 0.000 1.052 36 V HN 0.526 nan 8.190 nan 0.000 0.480 37 Y N 4.391 124.707 120.300 0.026 0.000 2.335 37 Y HA 0.578 5.128 4.550 -0.000 0.000 0.331 37 Y C 0.778 176.697 175.900 0.032 0.000 1.094 37 Y CA -0.042 58.075 58.100 0.028 0.000 1.253 37 Y CB 1.459 39.932 38.460 0.021 0.000 1.203 37 Y HN 0.581 nan 8.280 nan 0.000 0.508 38 S N 2.194 117.996 115.700 0.170 0.000 2.652 38 S HA 0.355 4.825 4.470 -0.000 0.000 0.273 38 S C -0.680 173.978 174.600 0.097 0.000 1.172 38 S CA -0.690 57.581 58.200 0.118 0.000 1.009 38 S CB 0.604 63.866 63.200 0.104 0.000 1.094 38 S HN 0.712 nan 8.310 nan 0.000 0.471 39 E N 3.079 123.321 120.200 0.069 0.000 2.476 39 E HA -0.194 4.155 4.350 -0.000 0.000 0.251 39 E C 0.980 177.613 176.600 0.054 0.000 1.130 39 E CA 2.227 58.654 56.400 0.044 0.000 0.736 39 E CB -1.417 28.297 29.700 0.023 0.000 1.298 39 E HN 1.864 nan 8.360 nan 0.000 0.400 40 G N -1.862 106.980 108.800 0.070 0.000 2.336 40 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.233 40 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.233 40 G C -0.000 174.954 174.900 0.091 0.000 1.053 40 G CA 0.065 45.207 45.100 0.070 0.000 0.625 40 G HN 0.716 nan 8.290 nan 0.000 0.511 41 L N 2.377 123.655 121.223 0.092 0.000 2.275 41 L HA 0.752 5.092 4.340 -0.000 0.000 0.288 41 L C 0.662 177.585 176.870 0.089 0.000 1.046 41 L CA -0.788 54.105 54.840 0.087 0.000 0.805 41 L CB 1.665 43.773 42.059 0.082 0.000 1.193 41 L HN 0.200 nan 8.230 nan 0.000 0.426 42 V N 3.369 123.324 119.914 0.069 0.000 3.295 42 V HA 0.800 4.920 4.120 -0.000 0.000 0.308 42 V C 0.620 176.694 176.094 -0.033 0.000 1.068 42 V CA -0.197 62.094 62.300 -0.014 0.000 1.062 42 V CB 1.368 33.164 31.823 -0.044 0.000 1.162 42 V HN 0.940 nan 8.190 nan 0.000 0.456 43 G N 0.340 109.079 108.800 -0.101 0.000 2.704 43 G HA2 0.555 4.515 3.960 -0.000 0.000 0.280 43 G HA3 0.555 4.515 3.960 -0.000 0.000 0.280 43 G C -1.319 173.525 174.900 -0.093 0.000 1.499 43 G CA -0.297 44.770 45.100 -0.056 0.000 1.146 43 G HN 0.487 nan 8.290 nan 0.000 0.558 44 V N 1.335 121.238 119.914 -0.020 0.000 2.567 44 V HA 0.922 5.042 4.120 -0.000 0.000 0.289 44 V C 0.909 176.902 176.094 -0.169 0.000 1.049 44 V CA 0.394 62.660 62.300 -0.056 0.000 0.969 44 V CB 1.253 33.103 31.823 0.045 0.000 0.995 44 V HN 1.045 nan 8.190 nan 0.000 0.471 45 G N 2.995 111.696 108.800 -0.166 0.000 2.660 45 G HA2 0.730 4.690 3.960 -0.000 0.000 0.290 45 G HA3 0.730 4.690 3.960 -0.000 0.000 0.290 45 G C -1.478 173.336 174.900 -0.144 0.000 1.432 45 G CA -0.458 44.521 45.100 -0.202 0.000 0.807 45 G HN 0.829 nan 8.290 nan 0.000 0.485 46 E N -1.208 118.908 120.200 -0.140 0.000 2.433 46 E HA 0.707 5.057 4.350 -0.000 0.000 0.278 46 E C -0.889 175.674 176.600 -0.062 0.000 0.976 46 E CA -1.155 55.186 56.400 -0.098 0.000 0.793 46 E CB 2.111 31.722 29.700 -0.148 0.000 1.311 46 E HN 1.260 nan 8.360 nan 0.000 0.460 47 G N -0.152 108.643 108.800 -0.007 0.000 2.753 47 G HA2 0.680 4.640 3.960 -0.000 0.000 0.297 47 G HA3 0.680 4.640 3.960 -0.000 0.000 0.297 47 G C -0.908 174.027 174.900 0.058 0.000 1.430 47 G CA -0.265 44.841 45.100 0.010 0.000 1.040 47 G HN 0.734 nan 8.290 nan 0.000 0.530 48 G N -0.850 107.981 108.800 0.053 0.000 2.559 48 G HA2 0.736 4.696 3.960 -0.000 0.000 0.291 48 G HA3 0.736 4.696 3.960 -0.000 0.000 0.291 48 G C -1.322 173.567 174.900 -0.018 0.000 1.424 48 G CA 0.210 45.334 45.100 0.039 0.000 0.786 48 G HN 1.186 nan 8.290 nan 0.000 0.485 49 S N -1.883 113.788 115.700 -0.049 0.000 2.671 49 S HA 0.758 5.228 4.470 -0.000 0.000 0.299 49 S C -0.727 173.819 174.600 -0.089 0.000 1.116 49 S CA -0.480 57.690 58.200 -0.050 0.000 0.912 49 S CB 1.819 65.031 63.200 0.020 0.000 1.130 49 S HN 0.847 nan 8.310 nan 0.000 0.501 50 V N 2.254 122.132 119.914 -0.061 0.000 2.439 50 V HA 0.588 4.708 4.120 -0.000 0.000 0.282 50 V C 1.300 177.414 176.094 0.034 0.000 1.039 50 V CA 0.460 62.727 62.300 -0.056 0.000 0.913 50 V CB 0.457 32.215 31.823 -0.109 0.000 0.983 50 V HN 1.404 nan 8.190 nan 0.000 0.460 51 G N 3.672 112.464 108.800 -0.013 0.000 2.258 51 G HA2 0.032 3.992 3.960 -0.000 0.000 0.274 51 G HA3 0.032 3.992 3.960 -0.000 0.000 0.274 51 G C 1.014 175.920 174.900 0.010 0.000 1.021 51 G CA 0.772 45.873 45.100 0.002 0.000 0.798 51 G HN 2.135 nan 8.290 nan 0.000 0.507 52 G N -0.892 107.905 108.800 -0.005 0.000 2.531 52 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.274 52 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.274 52 G C -1.542 173.375 174.900 0.028 0.000 1.159 52 G CA 0.505 45.605 45.100 0.001 0.000 0.969 52 G HN 0.953 nan 8.290 nan 0.000 0.554 53 P HA 0.454 nan 4.420 nan 0.000 0.228 53 P C 0.763 178.086 177.300 0.039 0.000 1.764 53 P CA 0.101 63.222 63.100 0.036 0.000 0.929 53 P CB 0.403 32.116 31.700 0.021 0.000 1.675 54 V N -2.351 117.600 119.914 0.061 0.000 2.743 54 V HA 0.068 4.188 4.120 -0.000 0.000 0.237 54 V C 1.804 177.940 176.094 0.070 0.000 1.113 54 V CA 0.530 62.859 62.300 0.049 0.000 1.141 54 V CB -1.002 30.845 31.823 0.040 0.000 0.873 54 V HN 0.240 nan 8.190 nan 0.000 0.486 55 W N 2.366 123.645 121.300 -0.036 0.000 2.358 55 W HA -0.080 4.580 4.660 -0.000 0.000 0.303 55 W C 1.515 178.016 176.519 -0.030 0.000 1.208 55 W CA 1.934 59.258 57.345 -0.035 0.000 1.274 55 W CB 0.200 29.638 29.460 -0.037 0.000 1.138 55 W HN 0.398 nan 8.180 nan 0.000 0.515 56 S N -1.988 113.906 115.700 0.323 0.000 2.745 56 S HA 0.678 5.148 4.470 -0.000 0.000 0.306 56 S C 0.386 175.043 174.600 0.095 0.000 1.137 56 S CA -0.361 57.960 58.200 0.202 0.000 0.900 56 S CB 1.161 64.565 63.200 0.340 0.000 1.176 56 S HN 0.199 nan 8.310 nan 0.000 0.520 57 A N -0.341 122.513 122.820 0.058 0.000 2.206 57 A HA 0.265 4.585 4.320 -0.000 0.000 0.211 57 A C 0.627 178.233 177.584 0.037 0.000 1.158 57 A CA 0.284 52.340 52.037 0.031 0.000 0.761 57 A CB -0.626 18.381 19.000 0.012 0.000 0.801 57 A HN 0.786 nan 8.150 nan 0.000 0.473 58 E N -1.021 119.212 120.200 0.056 0.000 2.250 58 E HA 0.522 4.872 4.350 -0.000 0.000 0.265 58 E C -0.420 176.204 176.600 0.040 0.000 1.033 58 E CA -0.361 56.066 56.400 0.044 0.000 0.888 58 E CB 1.472 31.200 29.700 0.046 0.000 1.151 58 E HN 0.606 nan 8.360 nan 0.000 0.412 59 C N -1.990 117.326 119.300 0.026 0.000 3.321 59 C HA 0.709 5.169 4.460 -0.000 0.000 0.329 59 C C 1.520 176.515 174.990 0.009 0.000 1.394 59 C CA -0.224 58.801 59.018 0.012 0.000 1.291 59 C CB 0.384 28.130 27.740 0.011 0.000 1.606 59 C HN 0.850 nan 8.230 nan 0.000 0.463 60 A N 0.583 123.399 122.820 -0.006 0.000 1.884 60 A HA -0.190 4.130 4.320 -0.000 0.000 0.219 60 A C 1.744 179.338 177.584 0.016 0.000 1.197 60 A CA 2.686 54.723 52.037 -0.001 0.000 0.637 60 A CB -0.972 18.017 19.000 -0.018 0.000 0.827 60 A HN 1.007 nan 8.150 nan 0.000 0.450 61 E N -0.532 119.678 120.200 0.017 0.000 2.152 61 E HA -0.090 4.260 4.350 -0.000 0.000 0.192 61 E C 2.109 178.730 176.600 0.035 0.000 0.983 61 E CA 1.530 57.945 56.400 0.025 0.000 0.818 61 E CB -0.505 29.208 29.700 0.022 0.000 0.758 61 E HN 0.853 nan 8.360 nan 0.000 0.467 62 T N -0.549 114.025 114.554 0.034 0.000 2.942 62 T HA -0.033 4.317 4.350 -0.000 0.000 0.265 62 T C 1.867 176.597 174.700 0.051 0.000 1.062 62 T CA 0.464 62.590 62.100 0.043 0.000 1.139 62 T CB -0.119 68.769 68.868 0.034 0.000 0.883 62 T HN -0.023 nan 8.240 nan 0.000 0.468 63 I N 1.695 122.290 120.570 0.042 0.000 2.226 63 I HA -0.049 4.121 4.170 -0.000 0.000 0.245 63 I C 2.600 178.748 176.117 0.051 0.000 1.100 63 I CA 1.384 62.710 61.300 0.043 0.000 1.374 63 I CB -1.036 36.985 38.000 0.034 0.000 1.057 63 I HN 0.348 nan 8.210 nan 0.000 0.413 64 K N 1.524 121.953 120.400 0.047 0.000 2.002 64 K HA -0.180 4.140 4.320 -0.000 0.000 0.209 64 K C 2.241 178.873 176.600 0.054 0.000 1.048 64 K CA 1.833 58.148 56.287 0.046 0.000 0.930 64 K CB -0.161 32.362 32.500 0.039 0.000 0.714 64 K HN 0.423 nan 8.250 nan 0.000 0.438 65 I N -1.154 119.455 120.570 0.065 0.000 2.286 65 I HA -0.211 3.959 4.170 -0.000 0.000 0.248 65 I C 1.781 177.987 176.117 0.149 0.000 1.115 65 I CA 1.063 62.411 61.300 0.080 0.000 1.392 65 I CB -0.429 37.626 38.000 0.092 0.000 1.065 65 I HN 0.036 nan 8.210 nan 0.000 0.418 66 I N 1.334 122.012 120.570 0.180 0.000 2.361 66 I HA -0.155 4.015 4.170 -0.000 0.000 0.251 66 I C 2.656 178.892 176.117 0.198 0.000 1.133 66 I CA 1.151 62.602 61.300 0.251 0.000 1.413 66 I CB -0.991 37.088 38.000 0.131 0.000 1.073 66 I HN 0.196 nan 8.210 nan 0.000 0.424 67 V N 0.961 120.945 119.914 0.116 0.000 2.231 67 V HA -0.226 3.894 4.120 -0.000 0.000 0.240 67 V C 2.421 178.557 176.094 0.070 0.000 1.039 67 V CA 1.597 63.947 62.300 0.084 0.000 0.998 67 V CB -0.659 31.196 31.823 0.053 0.000 0.639 67 V HN 0.341 nan 8.190 nan 0.000 0.451 68 E N -0.053 120.171 120.200 0.041 0.000 2.033 68 E HA -0.298 4.052 4.350 -0.000 0.000 0.199 68 E C 2.408 178.981 176.600 -0.045 0.000 1.011 68 E CA 1.800 58.203 56.400 0.005 0.000 0.815 68 E CB -0.234 29.465 29.700 -0.001 0.000 0.755 68 E HN 0.329 nan 8.360 nan 0.000 0.451 69 R N -1.020 119.419 120.500 -0.102 0.000 2.236 69 R HA -0.060 4.280 4.340 -0.000 0.000 0.208 69 R C 1.043 177.047 176.300 -0.492 0.000 1.036 69 R CA 0.906 56.809 56.100 -0.327 0.000 1.001 69 R CB 0.275 30.296 30.300 -0.465 0.000 0.896 69 R HN 0.235 nan 8.270 nan 0.000 0.464 70 Y N -2.091 118.246 120.300 0.061 0.000 2.512 70 Y HA 0.182 4.732 4.550 -0.000 0.000 0.268 70 Y C 1.430 177.440 175.900 0.184 0.000 1.102 70 Y CA -0.059 58.110 58.100 0.114 0.000 1.261 70 Y CB 0.503 39.014 38.460 0.084 0.000 1.250 70 Y HN -0.111 nan 8.280 nan 0.000 0.506 71 L N -1.326 120.052 121.223 0.258 0.000 2.269 71 L HA 0.187 4.527 4.340 -0.000 0.000 0.200 71 L C 2.547 179.519 176.870 0.170 0.000 1.069 71 L CA 0.838 55.806 54.840 0.214 0.000 0.804 71 L CB -0.671 41.466 42.059 0.130 0.000 0.987 71 L HN 0.100 nan 8.230 nan 0.000 0.468 72 A N 1.141 124.017 122.820 0.094 0.000 1.903 72 A HA -0.177 4.143 4.320 -0.000 0.000 0.219 72 A C -0.101 177.488 177.584 0.008 0.000 1.191 72 A CA 2.140 54.204 52.037 0.045 0.000 0.638 72 A CB -1.920 17.093 19.000 0.023 0.000 0.823 72 A HN 0.249 nan 8.150 nan 0.000 0.451 73 P HA -0.171 nan 4.420 nan 0.000 0.214 73 P C 0.655 177.832 177.300 -0.204 0.000 1.163 73 P CA 1.800 64.784 63.100 -0.194 0.000 0.889 73 P CB -0.301 31.177 31.700 -0.369 0.000 0.790 74 H N -1.884 117.203 119.070 0.027 0.000 2.546 74 H HA 0.064 4.620 4.556 -0.000 0.000 0.277 74 H C 1.630 176.974 175.328 0.026 0.000 1.004 74 H CA 0.640 56.705 56.048 0.028 0.000 1.231 74 H CB -0.731 29.052 29.762 0.036 0.000 1.382 74 H HN 0.123 nan 8.280 nan 0.000 0.580 75 L N -0.057 121.232 121.223 0.111 0.000 2.513 75 L HA 0.144 4.484 4.340 -0.000 0.000 0.222 75 L C 0.150 177.051 176.870 0.051 0.000 1.096 75 L CA -0.084 54.803 54.840 0.079 0.000 0.857 75 L CB 0.235 42.338 42.059 0.073 0.000 1.026 75 L HN 0.143 nan 8.230 nan 0.000 0.469 76 L N 1.000 122.243 121.223 0.032 0.000 2.455 76 L HA 0.175 4.515 4.340 -0.000 0.000 0.272 76 L C 1.288 178.171 176.870 0.022 0.000 1.174 76 L CA 0.582 55.436 54.840 0.023 0.000 0.869 76 L CB 0.228 42.290 42.059 0.005 0.000 1.130 76 L HN 0.364 nan 8.230 nan 0.000 0.474 77 G N 2.026 110.841 108.800 0.025 0.000 2.148 77 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.254 77 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.254 77 G C 0.269 175.183 174.900 0.024 0.000 0.981 77 G CA 0.213 45.325 45.100 0.020 0.000 0.670 77 G HN 0.579 nan 8.290 nan 0.000 0.528 78 T N 0.225 114.799 114.554 0.034 0.000 2.943 78 T HA 0.467 4.817 4.350 -0.000 0.000 0.284 78 T C -0.060 174.665 174.700 0.041 0.000 1.015 78 T CA -0.149 61.974 62.100 0.038 0.000 1.042 78 T CB 1.595 70.493 68.868 0.049 0.000 1.055 78 T HN 0.199 nan 8.240 nan 0.000 0.500 79 D N 1.183 121.606 120.400 0.040 0.000 2.368 79 D HA 0.167 4.807 4.640 -0.000 0.000 0.268 79 D C 1.120 177.478 176.300 0.097 0.000 1.298 79 D CA -0.238 53.789 54.000 0.046 0.000 0.938 79 D CB 0.419 41.243 40.800 0.042 0.000 1.101 79 D HN 0.576 nan 8.370 nan 0.000 0.509 80 A N 4.152 127.047 122.820 0.126 0.000 2.070 80 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 80 A C 1.381 179.169 177.584 0.339 0.000 1.159 80 A CA 0.680 52.840 52.037 0.204 0.000 0.656 80 A CB -0.403 18.729 19.000 0.220 0.000 0.800 80 A HN 0.548 nan 8.150 nan 0.000 0.453 81 F N 0.336 120.289 119.950 0.005 0.000 2.701 81 F HA 0.234 4.761 4.527 0.000 0.000 0.295 81 F C 0.768 176.570 175.800 0.002 0.000 1.165 81 F CA -0.739 57.263 58.000 0.003 0.000 1.399 81 F CB -0.306 38.697 39.000 0.004 0.000 0.996 81 F HN 0.211 nan 8.300 nan 0.000 0.513 82 N N 0.554 119.350 118.700 0.159 0.000 2.762 82 N HA 0.133 4.873 4.740 -0.000 0.000 0.252 82 N C 0.811 176.350 175.510 0.048 0.000 1.269 82 N CA 0.135 53.238 53.050 0.088 0.000 0.799 82 N CB 1.070 39.603 38.487 0.078 0.000 1.173 82 N HN -0.059 nan 8.380 nan 0.000 0.516 83 V N 1.216 121.144 119.914 0.022 0.000 2.515 83 V HA -0.165 3.955 4.120 -0.000 0.000 0.250 83 V C 2.193 178.291 176.094 0.006 0.000 1.058 83 V CA 1.380 63.682 62.300 0.004 0.000 1.064 83 V CB -0.445 31.366 31.823 -0.020 0.000 0.675 83 V HN 0.472 nan 8.190 nan 0.000 0.461 84 S N 1.217 116.923 115.700 0.010 0.000 2.365 84 S HA -0.183 4.287 4.470 -0.000 0.000 0.225 84 S C 2.096 176.702 174.600 0.011 0.000 1.039 84 S CA 1.749 59.954 58.200 0.008 0.000 1.033 84 S CB -0.807 62.399 63.200 0.011 0.000 0.887 84 S HN 0.700 nan 8.310 nan 0.000 0.447 85 G N 0.948 109.759 108.800 0.019 0.000 2.403 85 G HA2 0.098 4.058 3.960 -0.000 0.000 0.216 85 G HA3 0.098 4.058 3.960 -0.000 0.000 0.216 85 G C 1.561 176.473 174.900 0.020 0.000 1.154 85 G CA 0.756 45.868 45.100 0.020 0.000 0.784 85 G HN 0.569 nan 8.290 nan 0.000 0.538 86 A N 0.825 123.659 122.820 0.024 0.000 1.883 86 A HA 0.021 4.341 4.320 -0.000 0.000 0.217 86 A C 2.423 180.015 177.584 0.015 0.000 1.186 86 A CA 1.343 53.395 52.037 0.024 0.000 0.624 86 A CB -0.470 18.544 19.000 0.022 0.000 0.822 86 A HN 0.343 nan 8.150 nan 0.000 0.444 87 L N -1.068 120.159 121.223 0.006 0.000 2.027 87 L HA -0.227 4.113 4.340 -0.000 0.000 0.206 87 L C 2.950 179.818 176.870 -0.004 0.000 1.074 87 L CA 1.848 56.687 54.840 -0.000 0.000 0.745 87 L CB -0.686 41.370 42.059 -0.005 0.000 0.898 87 L HN 0.630 nan 8.230 nan 0.000 0.433 88 Q N -0.114 119.685 119.800 -0.003 0.000 2.061 88 Q HA -0.226 4.114 4.340 -0.000 0.000 0.204 88 Q C 2.038 178.029 176.000 -0.015 0.000 0.984 88 Q CA 2.534 58.332 55.803 -0.008 0.000 0.846 88 Q CB -0.036 28.700 28.738 -0.003 0.000 0.902 88 Q HN 0.402 nan 8.270 nan 0.000 0.421 89 T N 0.915 115.465 114.554 -0.008 0.000 2.788 89 T HA -0.139 4.211 4.350 -0.000 0.000 0.268 89 T C 1.742 176.420 174.700 -0.036 0.000 1.044 89 T CA 1.576 63.666 62.100 -0.017 0.000 1.139 89 T CB -0.135 68.743 68.868 0.017 0.000 0.867 89 T HN 0.335 nan 8.240 nan 0.000 0.454 90 M N 0.600 120.193 119.600 -0.012 0.000 2.296 90 M HA 0.038 4.518 4.480 -0.000 0.000 0.265 90 M C 2.649 178.933 176.300 -0.027 0.000 1.064 90 M CA 1.012 56.307 55.300 -0.008 0.000 1.109 90 M CB -0.290 32.316 32.600 0.009 0.000 1.396 90 M HN 0.280 nan 8.290 nan 0.000 0.430 91 A N -0.090 122.712 122.820 -0.030 0.000 2.016 91 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 91 A C 1.932 179.487 177.584 -0.049 0.000 1.162 91 A CA 1.121 53.138 52.037 -0.033 0.000 0.662 91 A CB -0.224 18.761 19.000 -0.025 0.000 0.812 91 A HN 0.280 nan 8.150 nan 0.000 0.450 92 R N -0.575 119.885 120.500 -0.066 0.000 2.297 92 R HA 0.361 4.701 4.340 -0.000 0.000 0.197 92 R C 1.775 177.994 176.300 -0.134 0.000 0.943 92 R CA 0.861 56.911 56.100 -0.084 0.000 1.038 92 R CB -0.499 29.753 30.300 -0.079 0.000 0.957 92 R HN 0.479 nan 8.270 nan 0.000 0.484 93 A N -0.062 122.669 122.820 -0.148 0.000 1.909 93 A HA 0.250 4.570 4.320 -0.000 0.000 0.210 93 A C 0.629 178.160 177.584 -0.088 0.000 1.273 93 A CA 0.864 52.792 52.037 -0.183 0.000 0.654 93 A CB 0.162 19.055 19.000 -0.179 0.000 0.945 93 A HN 0.050 nan 8.150 nan 0.000 0.471 94 V N -3.630 116.244 119.914 -0.066 0.000 3.040 94 V HA 0.725 4.845 4.120 -0.000 0.000 0.312 94 V C -0.648 175.405 176.094 -0.067 0.000 1.115 94 V CA -0.516 61.733 62.300 -0.085 0.000 0.998 94 V CB 1.476 33.254 31.823 -0.075 0.000 1.042 94 V HN 0.065 nan 8.190 nan 0.000 0.433 95 T N 2.757 117.265 114.554 -0.076 0.000 2.767 95 T HA 0.729 5.079 4.350 -0.000 0.000 0.284 95 T C 0.548 175.223 174.700 -0.043 0.000 0.973 95 T CA 1.008 63.076 62.100 -0.053 0.000 0.996 95 T CB 0.579 69.414 68.868 -0.054 0.000 0.927 95 T HN 2.079 nan 8.240 nan 0.000 0.456 96 G N 4.092 112.876 108.800 -0.027 0.000 2.528 96 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.262 96 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.262 96 G C -0.246 174.649 174.900 -0.009 0.000 1.200 96 G CA -0.163 44.928 45.100 -0.015 0.000 0.951 96 G HN 1.001 nan 8.290 nan 0.000 0.566 97 N N -1.149 117.551 118.700 -0.001 0.000 2.696 97 N HA -0.162 4.578 4.740 -0.000 0.000 0.256 97 N C 1.248 176.766 175.510 0.013 0.000 1.031 97 N CA 1.646 54.701 53.050 0.009 0.000 0.730 97 N CB -1.332 37.158 38.487 0.005 0.000 0.894 97 N HN 1.833 nan 8.380 nan 0.000 0.544 98 A N -0.230 122.600 122.820 0.017 0.000 2.015 98 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 98 A C 2.279 179.871 177.584 0.012 0.000 1.163 98 A CA 1.768 53.814 52.037 0.015 0.000 0.646 98 A CB -0.129 18.884 19.000 0.022 0.000 0.806 98 A HN 0.456 nan 8.150 nan 0.000 0.448 99 S N -0.571 115.140 115.700 0.018 0.000 2.368 99 S HA 0.029 4.499 4.470 -0.000 0.000 0.224 99 S C 2.189 176.793 174.600 0.007 0.000 1.029 99 S CA 1.292 59.497 58.200 0.009 0.000 0.988 99 S CB -0.348 62.861 63.200 0.015 0.000 0.838 99 S HN 0.747 nan 8.310 nan 0.000 0.462 100 A N 1.261 124.091 122.820 0.017 0.000 1.898 100 A HA -0.041 4.279 4.320 -0.000 0.000 0.216 100 A C 2.068 179.661 177.584 0.015 0.000 1.181 100 A CA 1.397 53.447 52.037 0.022 0.000 0.620 100 A CB -0.433 18.589 19.000 0.037 0.000 0.819 100 A HN 0.551 nan 8.150 nan 0.000 0.442 101 K N -0.280 120.127 120.400 0.012 0.000 2.097 101 K HA -0.004 4.316 4.320 -0.000 0.000 0.205 101 K C 2.206 178.802 176.600 -0.008 0.000 1.050 101 K CA 1.058 57.349 56.287 0.006 0.000 0.938 101 K CB -0.255 32.247 32.500 0.004 0.000 0.718 101 K HN 0.432 nan 8.250 nan 0.000 0.442 102 A N 1.396 124.207 122.820 -0.014 0.000 1.968 102 A HA 0.012 4.332 4.320 -0.000 0.000 0.217 102 A C 2.334 179.889 177.584 -0.047 0.000 1.169 102 A CA 1.403 53.421 52.037 -0.032 0.000 0.638 102 A CB -0.487 18.493 19.000 -0.033 0.000 0.812 102 A HN 0.292 nan 8.150 nan 0.000 0.446 103 A N -0.232 122.565 122.820 -0.037 0.000 1.865 103 A HA -0.066 4.254 4.320 -0.000 0.000 0.217 103 A C 2.205 179.755 177.584 -0.056 0.000 1.191 103 A CA 1.984 53.992 52.037 -0.048 0.000 0.623 103 A CB -1.057 17.928 19.000 -0.025 0.000 0.826 103 A HN 0.419 nan 8.150 nan 0.000 0.444 104 V N 0.399 120.294 119.914 -0.033 0.000 2.407 104 V HA -0.280 3.839 4.120 -0.000 0.000 0.248 104 V C 2.563 178.632 176.094 -0.041 0.000 1.055 104 V CA 2.428 64.710 62.300 -0.029 0.000 1.049 104 V CB -0.912 30.910 31.823 -0.002 0.000 0.662 104 V HN 0.868 nan 8.190 nan 0.000 0.455 105 E N 0.319 120.494 120.200 -0.042 0.000 2.058 105 E HA -0.275 4.075 4.350 -0.000 0.000 0.194 105 E C 2.200 178.753 176.600 -0.079 0.000 0.997 105 E CA 2.003 58.374 56.400 -0.050 0.000 0.801 105 E CB -0.340 29.333 29.700 -0.045 0.000 0.746 105 E HN 0.523 nan 8.360 nan 0.000 0.450 106 M N 0.437 119.975 119.600 -0.104 0.000 2.082 106 M HA -0.216 4.264 4.480 -0.000 0.000 0.258 106 M C 2.503 178.705 176.300 -0.164 0.000 1.069 106 M CA 1.858 57.065 55.300 -0.156 0.000 1.102 106 M CB -0.409 32.074 32.600 -0.196 0.000 1.336 106 M HN 0.366 nan 8.290 nan 0.000 0.404 107 A N 0.390 123.130 122.820 -0.135 0.000 1.883 107 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 107 A C 2.053 179.587 177.584 -0.083 0.000 1.186 107 A CA 1.557 53.524 52.037 -0.117 0.000 0.624 107 A CB -1.006 17.932 19.000 -0.103 0.000 0.822 107 A HN 0.493 nan 8.150 nan 0.000 0.444 108 L N -1.314 119.871 121.223 -0.065 0.000 2.141 108 L HA -0.114 4.226 4.340 -0.000 0.000 0.209 108 L C 2.455 179.278 176.870 -0.079 0.000 1.094 108 L CA 0.495 55.309 54.840 -0.045 0.000 0.763 108 L CB -0.433 41.613 42.059 -0.021 0.000 0.908 108 L HN 0.336 nan 8.230 nan 0.000 0.437 109 L N 0.210 121.377 121.223 -0.093 0.000 2.109 109 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 109 L C 2.089 178.895 176.870 -0.107 0.000 1.086 109 L CA 1.773 56.547 54.840 -0.109 0.000 0.760 109 L CB -0.636 41.361 42.059 -0.104 0.000 0.910 109 L HN 0.240 nan 8.230 nan 0.000 0.437 110 D N -0.805 119.540 120.400 -0.092 0.000 2.084 110 D HA -0.224 4.416 4.640 -0.000 0.000 0.196 110 D C 2.339 178.627 176.300 -0.021 0.000 0.985 110 D CA 1.556 55.541 54.000 -0.024 0.000 0.826 110 D CB -0.232 40.547 40.800 -0.036 0.000 0.978 110 D HN 0.316 nan 8.370 nan 0.000 0.456 111 L N 0.255 121.456 121.223 -0.037 0.000 2.013 111 L HA -0.211 4.129 4.340 -0.000 0.000 0.212 111 L C 2.501 179.322 176.870 -0.082 0.000 1.073 111 L CA 1.822 56.650 54.840 -0.020 0.000 0.753 111 L CB -0.396 41.669 42.059 0.009 0.000 0.890 111 L HN 0.059 nan 8.230 nan 0.000 0.432 112 K N -0.359 119.907 120.400 -0.224 0.000 2.097 112 K HA -0.200 4.120 4.320 -0.000 0.000 0.206 112 K C 1.918 178.273 176.600 -0.408 0.000 1.049 112 K CA 1.329 57.258 56.287 -0.596 0.000 0.933 112 K CB -0.150 31.949 32.500 -0.669 0.000 0.717 112 K HN 0.479 nan 8.250 nan 0.000 0.442 113 A N 1.352 124.044 122.820 -0.214 0.000 1.898 113 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 113 A C 2.049 179.588 177.584 -0.076 0.000 1.181 113 A CA 1.193 53.153 52.037 -0.128 0.000 0.620 113 A CB -0.361 18.593 19.000 -0.076 0.000 0.819 113 A HN 0.321 nan 8.150 nan 0.000 0.442 114 R N -0.524 119.947 120.500 -0.049 0.000 2.092 114 R HA -0.006 4.334 4.340 -0.000 0.000 0.231 114 R C 2.341 178.646 176.300 0.009 0.000 1.119 114 R CA 1.052 57.143 56.100 -0.014 0.000 0.970 114 R CB -0.389 29.913 30.300 0.003 0.000 0.864 114 R HN 0.488 nan 8.270 nan 0.000 0.440 115 A N 0.780 123.614 122.820 0.023 0.000 2.067 115 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 115 A C 1.894 179.538 177.584 0.101 0.000 1.158 115 A CA 0.978 53.086 52.037 0.119 0.000 0.661 115 A CB -0.176 19.021 19.000 0.328 0.000 0.801 115 A HN 0.186 nan 8.150 nan 0.000 0.452 116 L N -1.820 119.416 121.223 0.021 0.000 2.585 116 L HA 0.230 4.570 4.340 -0.000 0.000 0.226 116 L C 1.752 178.628 176.870 0.011 0.000 1.113 116 L CA 0.519 55.372 54.840 0.023 0.000 0.876 116 L CB 0.014 42.059 42.059 -0.024 0.000 1.072 116 L HN 0.532 nan 8.230 nan 0.000 0.468 117 G N 0.651 109.453 108.800 0.004 0.000 2.184 117 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.264 117 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.264 117 G C 0.445 175.339 174.900 -0.010 0.000 0.975 117 G CA 0.455 45.554 45.100 -0.000 0.000 0.642 117 G HN 0.266 nan 8.290 nan 0.000 0.536 118 V N -2.321 117.582 119.914 -0.018 0.000 3.463 118 V HA 0.924 5.044 4.120 -0.000 0.000 0.302 118 V C 0.772 176.851 176.094 -0.026 0.000 1.097 118 V CA 0.179 62.467 62.300 -0.021 0.000 1.003 118 V CB 1.382 33.191 31.823 -0.024 0.000 1.229 118 V HN 0.923 nan 8.190 nan 0.000 0.444 119 S N -1.480 114.206 115.700 -0.024 0.000 2.664 119 S HA 0.551 5.021 4.470 -0.000 0.000 0.304 119 S C 0.869 175.454 174.600 -0.026 0.000 1.099 119 S CA -0.741 57.446 58.200 -0.022 0.000 1.003 119 S CB 1.151 64.340 63.200 -0.018 0.000 1.092 119 S HN 0.654 nan 8.310 nan 0.000 0.525 120 I N 2.085 122.643 120.570 -0.020 0.000 2.315 120 I HA -0.205 3.965 4.170 -0.000 0.000 0.251 120 I C 2.541 178.636 176.117 -0.037 0.000 1.125 120 I CA 1.581 62.860 61.300 -0.035 0.000 1.392 120 I CB -0.637 37.340 38.000 -0.038 0.000 1.065 120 I HN 0.744 nan 8.210 nan 0.000 0.424 121 A N 0.716 123.519 122.820 -0.027 0.000 1.873 121 A HA -0.204 4.116 4.320 -0.000 0.000 0.215 121 A C 2.211 179.785 177.584 -0.017 0.000 1.186 121 A CA 1.579 53.604 52.037 -0.021 0.000 0.616 121 A CB -0.544 18.448 19.000 -0.013 0.000 0.823 121 A HN 0.441 nan 8.150 nan 0.000 0.442 122 E N -0.760 119.430 120.200 -0.017 0.000 2.204 122 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 122 E C 1.864 178.452 176.600 -0.020 0.000 0.989 122 E CA 0.921 57.312 56.400 -0.015 0.000 0.824 122 E CB -0.192 29.500 29.700 -0.015 0.000 0.756 122 E HN 0.474 nan 8.360 nan 0.000 0.477 123 L N 0.785 121.990 121.223 -0.030 0.000 2.027 123 L HA -0.120 4.220 4.340 -0.000 0.000 0.206 123 L C 1.936 178.787 176.870 -0.031 0.000 1.074 123 L CA 1.547 56.364 54.840 -0.040 0.000 0.745 123 L CB -0.231 41.792 42.059 -0.060 0.000 0.898 123 L HN 0.102 nan 8.230 nan 0.000 0.433 124 L N -0.663 120.544 121.223 -0.028 0.000 2.549 124 L HA 0.110 4.450 4.340 -0.000 0.000 0.229 124 L C 1.381 178.246 176.870 -0.008 0.000 1.158 124 L CA 0.747 55.576 54.840 -0.019 0.000 0.842 124 L CB -0.753 41.295 42.059 -0.019 0.000 0.952 124 L HN 0.614 nan 8.230 nan 0.000 0.452 125 G N -1.150 107.646 108.800 -0.008 0.000 2.173 125 G HA2 0.103 4.063 3.960 -0.000 0.000 0.142 125 G HA3 0.103 4.063 3.960 -0.000 0.000 0.142 125 G C 0.459 175.359 174.900 0.001 0.000 1.019 125 G CA -0.368 44.731 45.100 -0.002 0.000 0.699 125 G HN 0.717 nan 8.290 nan 0.000 0.495 126 G N -0.677 108.122 108.800 -0.002 0.000 2.705 126 G HA2 0.314 4.274 3.960 -0.000 0.000 0.686 126 G HA3 0.314 4.274 3.960 -0.000 0.000 0.686 126 G C -2.122 172.782 174.900 0.006 0.000 1.285 126 G CA -0.005 45.096 45.100 0.001 0.000 0.800 126 G HN 0.747 nan 8.290 nan 0.000 0.611 127 P HA 0.618 nan 4.420 nan 0.000 0.279 127 P C 0.889 178.198 177.300 0.015 0.000 1.276 127 P CA -0.638 62.470 63.100 0.014 0.000 0.801 127 P CB 0.746 32.453 31.700 0.013 0.000 1.127 128 L N -1.652 119.583 121.223 0.020 0.000 2.902 128 L HA 0.288 4.628 4.340 -0.000 0.000 0.254 128 L C 0.915 177.795 176.870 0.017 0.000 1.115 128 L CA 0.058 54.909 54.840 0.018 0.000 0.947 128 L CB 0.176 42.248 42.059 0.022 0.000 1.369 128 L HN 0.402 nan 8.230 nan 0.000 0.538 129 R N -1.931 118.582 120.500 0.022 0.000 2.808 129 R HA 0.533 4.873 4.340 -0.000 0.000 0.272 129 R C -0.441 175.872 176.300 0.021 0.000 0.995 129 R CA -0.576 55.537 56.100 0.021 0.000 0.917 129 R CB 1.599 31.914 30.300 0.025 0.000 1.217 129 R HN -0.288 nan 8.270 nan 0.000 0.471 130 S N -0.257 115.453 115.700 0.018 0.000 2.523 130 S HA 0.352 4.822 4.470 -0.000 0.000 0.217 130 S C -0.059 174.554 174.600 0.021 0.000 0.996 130 S CA 0.215 58.425 58.200 0.016 0.000 0.921 130 S CB 0.859 64.065 63.200 0.010 0.000 0.829 130 S HN 0.766 nan 8.310 nan 0.000 0.495 131 A N 1.123 123.958 122.820 0.025 0.000 2.594 131 A HA 0.735 5.055 4.320 -0.000 0.000 0.296 131 A C -1.651 175.953 177.584 0.034 0.000 1.061 131 A CA -0.667 51.388 52.037 0.031 0.000 0.689 131 A CB 0.894 19.906 19.000 0.020 0.000 1.280 131 A HN 0.234 nan 8.150 nan 0.000 0.406 132 I N 1.746 122.343 120.570 0.046 0.000 2.436 132 I HA 0.365 4.535 4.170 -0.000 0.000 0.289 132 I C -2.520 173.621 176.117 0.039 0.000 1.010 132 I CA -2.324 58.999 61.300 0.038 0.000 1.098 132 I CB 2.507 40.538 38.000 0.052 0.000 1.266 132 I HN 0.302 nan 8.210 nan 0.000 0.434 133 P HA 0.059 nan 4.420 nan 0.000 0.257 133 P C -0.402 176.930 177.300 0.053 0.000 1.189 133 P CA 0.374 63.495 63.100 0.036 0.000 0.780 133 P CB 0.299 31.995 31.700 -0.007 0.000 0.772 134 I N 2.866 123.498 120.570 0.105 0.000 2.472 134 I HA 0.493 4.663 4.170 -0.000 0.000 0.290 134 I C -0.053 176.207 176.117 0.239 0.000 1.016 134 I CA -0.562 60.844 61.300 0.177 0.000 1.348 134 I CB 1.130 39.289 38.000 0.266 0.000 1.417 134 I HN 0.271 nan 8.210 nan 0.000 0.521 135 A N 7.915 130.849 122.820 0.189 0.000 2.312 135 A HA 0.378 4.698 4.320 -0.000 0.000 0.328 135 A C -1.250 176.396 177.584 0.104 0.000 1.158 135 A CA -0.603 51.513 52.037 0.132 0.000 0.821 135 A CB 0.854 19.932 19.000 0.130 0.000 1.170 135 A HN 0.879 nan 8.150 nan 0.000 0.490 136 W N 2.723 123.844 121.300 -0.297 0.000 2.573 136 W HA 0.494 5.154 4.660 -0.000 0.000 0.326 136 W C -0.534 175.985 176.519 0.001 0.000 1.049 136 W CA -0.227 56.902 57.345 -0.361 0.000 1.220 136 W CB 1.968 31.060 29.460 -0.613 0.000 1.373 136 W HN 0.850 nan 8.180 nan 0.000 0.507 137 T N 3.889 118.052 114.554 -0.652 0.000 2.795 137 T HA 0.537 4.887 4.350 -0.000 0.000 0.282 137 T C -0.517 173.923 174.700 -0.434 0.000 0.980 137 T CA -0.670 61.208 62.100 -0.371 0.000 1.012 137 T CB 1.169 69.869 68.868 -0.279 0.000 0.936 137 T HN 0.400 nan 8.240 nan 0.000 0.457 138 L N 3.660 124.851 121.223 -0.052 0.000 2.417 138 L HA 0.550 4.890 4.340 -0.000 0.000 0.258 138 L C 1.093 178.002 176.870 0.065 0.000 1.088 138 L CA -0.907 53.966 54.840 0.056 0.000 0.975 138 L CB 0.488 42.655 42.059 0.181 0.000 1.341 138 L HN 0.943 nan 8.230 nan 0.000 0.431 139 A N 0.834 123.651 122.820 -0.005 0.000 2.423 139 A HA 0.235 4.555 4.320 -0.000 0.000 0.246 139 A C 0.987 178.560 177.584 -0.017 0.000 1.278 139 A CA -0.204 51.846 52.037 0.023 0.000 0.903 139 A CB 0.031 19.000 19.000 -0.050 0.000 0.997 139 A HN 0.575 nan 8.150 nan 0.000 0.510 140 S N -1.171 114.546 115.700 0.028 0.000 2.584 140 S HA 0.441 4.911 4.470 -0.000 0.000 0.273 140 S C 1.262 175.886 174.600 0.041 0.000 1.311 140 S CA 0.082 58.281 58.200 -0.002 0.000 1.034 140 S CB 1.408 64.636 63.200 0.046 0.000 0.939 140 S HN 0.534 nan 8.310 nan 0.000 0.513 141 G N 0.249 109.029 108.800 -0.034 0.000 2.535 141 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.218 141 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.218 141 G C 0.094 175.080 174.900 0.143 0.000 1.122 141 G CA 0.417 45.544 45.100 0.046 0.000 0.769 141 G HN 0.793 nan 8.290 nan 0.000 0.549 142 D N -1.325 119.149 120.400 0.124 0.000 2.198 142 D HA 0.445 5.084 4.640 -0.000 0.000 0.245 142 D C 1.503 177.908 176.300 0.174 0.000 1.079 142 D CA -0.228 53.850 54.000 0.131 0.000 0.854 142 D CB 1.420 42.272 40.800 0.087 0.000 1.148 142 D HN -0.112 nan 8.370 nan 0.000 0.456 143 T N 2.564 117.223 114.554 0.175 0.000 2.770 143 T HA -0.104 4.245 4.350 -0.000 0.000 0.263 143 T C 1.562 176.278 174.700 0.027 0.000 1.039 143 T CA 1.075 63.249 62.100 0.124 0.000 1.142 143 T CB -0.013 68.896 68.868 0.069 0.000 0.868 143 T HN 0.369 nan 8.240 nan 0.000 0.435 144 K N 0.825 121.245 120.400 0.033 0.000 2.057 144 K HA -0.016 4.304 4.320 -0.000 0.000 0.207 144 K C 2.495 179.112 176.600 0.027 0.000 1.049 144 K CA 0.990 57.286 56.287 0.015 0.000 0.931 144 K CB -0.110 32.403 32.500 0.021 0.000 0.714 144 K HN 0.019 nan 8.250 nan 0.000 0.440 145 R N 1.385 121.918 120.500 0.054 0.000 2.080 145 R HA -0.160 4.180 4.340 -0.000 0.000 0.236 145 R C 1.528 177.874 176.300 0.077 0.000 1.137 145 R CA 2.091 58.231 56.100 0.067 0.000 0.943 145 R CB -0.403 29.945 30.300 0.080 0.000 0.846 145 R HN 0.166 nan 8.270 nan 0.000 0.431 146 D N -0.104 120.350 120.400 0.091 0.000 2.108 146 D HA -0.202 4.438 4.640 -0.000 0.000 0.190 146 D C 1.754 178.063 176.300 0.016 0.000 0.995 146 D CA 1.380 55.438 54.000 0.096 0.000 0.834 146 D CB -0.499 40.383 40.800 0.138 0.000 0.967 146 D HN 0.103 nan 8.370 nan 0.000 0.446 147 L N 1.033 122.232 121.223 -0.040 0.000 2.051 147 L HA -0.216 4.124 4.340 -0.000 0.000 0.214 147 L C 1.370 178.205 176.870 -0.059 0.000 1.076 147 L CA 1.935 56.722 54.840 -0.089 0.000 0.758 147 L CB -0.627 41.381 42.059 -0.085 0.000 0.890 147 L HN -0.055 nan 8.230 nan 0.000 0.433 148 D N -1.348 119.044 120.400 -0.013 0.000 2.097 148 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 148 D C 2.376 178.686 176.300 0.017 0.000 0.989 148 D CA 1.558 55.560 54.000 0.003 0.000 0.827 148 D CB -0.351 40.461 40.800 0.020 0.000 0.966 148 D HN 0.400 nan 8.370 nan 0.000 0.456 149 S N -0.349 115.384 115.700 0.055 0.000 2.419 149 S HA -0.089 4.381 4.470 -0.000 0.000 0.233 149 S C 1.892 176.535 174.600 0.073 0.000 1.016 149 S CA 1.259 59.518 58.200 0.099 0.000 0.974 149 S CB -0.077 63.258 63.200 0.225 0.000 0.786 149 S HN 0.255 nan 8.310 nan 0.000 0.492 150 A N 0.622 123.436 122.820 -0.009 0.000 1.897 150 A HA 0.081 4.401 4.320 -0.000 0.000 0.215 150 A C 2.265 179.809 177.584 -0.067 0.000 1.181 150 A CA 1.427 53.337 52.037 -0.212 0.000 0.620 150 A CB -0.878 17.726 19.000 -0.660 0.000 0.821 150 A HN 0.428 nan 8.150 nan 0.000 0.443 151 V N 0.346 120.227 119.914 -0.056 0.000 2.407 151 V HA -0.267 3.853 4.120 -0.000 0.000 0.248 151 V C 2.499 178.618 176.094 0.041 0.000 1.055 151 V CA 2.280 64.580 62.300 0.000 0.000 1.049 151 V CB -0.739 31.076 31.823 -0.013 0.000 0.662 151 V HN 0.771 nan 8.190 nan 0.000 0.455 152 E N -0.324 119.891 120.200 0.025 0.000 2.106 152 E HA -0.215 4.135 4.350 -0.000 0.000 0.192 152 E C 2.248 178.859 176.600 0.018 0.000 0.984 152 E CA 1.152 57.560 56.400 0.013 0.000 0.806 152 E CB -0.037 29.660 29.700 -0.006 0.000 0.750 152 E HN 0.369 nan 8.360 nan 0.000 0.458 153 M N 0.454 120.078 119.600 0.040 0.000 2.296 153 M HA -0.084 4.396 4.480 -0.000 0.000 0.265 153 M C 2.128 178.538 176.300 0.183 0.000 1.064 153 M CA 1.054 56.386 55.300 0.053 0.000 1.109 153 M CB -0.491 32.126 32.600 0.029 0.000 1.396 153 M HN 0.251 nan 8.290 nan 0.000 0.430 154 I N -1.016 119.707 120.570 0.255 0.000 2.500 154 I HA -0.194 3.976 4.170 -0.000 0.000 0.252 154 I C 2.372 178.621 176.117 0.220 0.000 1.142 154 I CA 0.785 62.269 61.300 0.307 0.000 1.451 154 I CB -0.453 37.692 38.000 0.242 0.000 1.093 154 I HN 0.350 nan 8.210 nan 0.000 0.430 155 E N 1.912 122.178 120.200 0.111 0.000 2.046 155 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 155 E C 2.146 178.747 176.600 0.001 0.000 0.982 155 E CA 0.868 57.299 56.400 0.052 0.000 0.800 155 E CB 0.099 29.815 29.700 0.026 0.000 0.756 155 E HN 0.359 nan 8.360 nan 0.000 0.449 156 R N 0.340 120.824 120.500 -0.027 0.000 2.357 156 R HA 0.043 4.383 4.340 -0.000 0.000 0.202 156 R C 0.012 176.211 176.300 -0.168 0.000 1.047 156 R CA 0.277 56.322 56.100 -0.092 0.000 1.034 156 R CB -0.170 30.064 30.300 -0.111 0.000 0.875 156 R HN 0.149 nan 8.270 nan 0.000 0.473 157 R N 0.567 120.964 120.500 -0.172 0.000 3.205 157 R HA -0.214 4.126 4.340 -0.000 0.000 0.249 157 R C 0.390 176.301 176.300 -0.648 0.000 0.937 157 R CA 1.148 56.943 56.100 -0.508 0.000 0.641 157 R CB -1.299 28.707 30.300 -0.491 0.000 1.114 157 R HN 0.579 nan 8.270 nan 0.000 0.451 158 R N -1.702 118.568 120.500 -0.384 0.000 2.650 158 R HA 0.188 4.528 4.340 -0.000 0.000 0.212 158 R C 0.043 176.073 176.300 -0.450 0.000 0.904 158 R CA -0.296 55.515 56.100 -0.482 0.000 1.021 158 R CB 0.546 30.474 30.300 -0.621 0.000 1.519 158 R HN 0.217 nan 8.270 nan 0.000 0.639 159 H N 0.829 120.029 119.070 0.216 0.000 2.906 159 H HA 0.317 4.873 4.556 -0.000 0.000 0.324 159 H C -0.820 174.440 175.328 -0.112 0.000 0.973 159 H CA -0.651 55.413 56.048 0.027 0.000 1.321 159 H CB 1.857 31.506 29.762 -0.189 0.000 1.535 159 H HN 0.205 nan 8.280 nan 0.000 0.518 160 N N 1.837 120.443 118.700 -0.156 0.000 2.415 160 N HA 0.027 4.767 4.740 -0.000 0.000 0.174 160 N C -0.116 175.350 175.510 -0.074 0.000 1.048 160 N CA 0.022 52.882 53.050 -0.318 0.000 0.895 160 N CB 0.749 38.915 38.487 -0.535 0.000 1.036 160 N HN 0.268 nan 8.380 nan 0.000 0.449 161 R N -0.219 120.187 120.500 -0.156 0.000 2.604 161 R HA 0.422 4.762 4.340 -0.000 0.000 0.287 161 R C -1.434 174.628 176.300 -0.398 0.000 0.970 161 R CA -0.270 55.807 56.100 -0.038 0.000 0.946 161 R CB 1.101 31.417 30.300 0.028 0.000 1.127 161 R HN -0.057 nan 8.270 nan 0.000 0.473 162 F N 0.392 120.489 119.950 0.246 0.000 2.556 162 F HA 0.419 4.946 4.527 -0.000 0.000 0.314 162 F C -0.026 175.865 175.800 0.152 0.000 1.106 162 F CA -0.820 57.307 58.000 0.211 0.000 0.911 162 F CB 2.159 41.283 39.000 0.207 0.000 1.190 162 F HN 0.195 nan 8.300 nan 0.000 0.448 163 K N 3.358 123.922 120.400 0.273 0.000 2.473 163 K HA 0.587 4.907 4.320 -0.000 0.000 0.246 163 K C -1.499 175.173 176.600 0.119 0.000 1.011 163 K CA -0.390 55.989 56.287 0.153 0.000 0.984 163 K CB 0.958 33.513 32.500 0.092 0.000 1.250 163 K HN 0.505 nan 8.250 nan 0.000 0.454 164 V N 4.564 124.553 119.914 0.126 0.000 2.530 164 V HA 0.162 4.282 4.120 -0.000 0.000 0.282 164 V C 0.264 176.364 176.094 0.010 0.000 1.048 164 V CA -0.469 61.891 62.300 0.099 0.000 0.997 164 V CB 0.999 32.909 31.823 0.145 0.000 0.987 164 V HN 0.568 nan 8.190 nan 0.000 0.477 165 K N 6.009 126.417 120.400 0.014 0.000 2.263 165 K HA 0.491 4.811 4.320 -0.000 0.000 0.282 165 K C -0.480 176.010 176.600 -0.183 0.000 1.089 165 K CA -0.074 56.213 56.287 -0.000 0.000 0.907 165 K CB 1.107 33.698 32.500 0.152 0.000 1.148 165 K HN 0.520 nan 8.250 nan 0.000 0.470 166 L N -0.258 120.759 121.223 -0.344 0.000 2.544 166 L HA 0.481 4.821 4.340 -0.000 0.000 0.256 166 L C 1.493 177.989 176.870 -0.624 0.000 1.097 166 L CA -0.232 54.251 54.840 -0.595 0.000 0.812 166 L CB 0.846 42.616 42.059 -0.482 0.000 1.440 166 L HN 0.866 nan 8.230 nan 0.000 0.496 167 G N -0.079 108.346 108.800 -0.625 0.000 2.424 167 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.207 167 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.207 167 G C 0.540 175.310 174.900 -0.217 0.000 1.061 167 G CA 0.427 45.287 45.100 -0.399 0.000 0.657 167 G HN 0.594 nan 8.290 nan 0.000 0.508 168 F N 1.765 121.652 119.950 -0.105 0.000 2.502 168 F HA 0.504 5.031 4.527 -0.000 0.000 0.298 168 F C 1.548 177.322 175.800 -0.044 0.000 1.111 168 F CA 0.468 58.427 58.000 -0.069 0.000 1.445 168 F CB -0.407 38.551 39.000 -0.071 0.000 1.081 168 F HN 0.197 nan 8.300 nan 0.000 0.558 169 R N 0.732 121.119 120.500 -0.188 0.000 2.705 169 R HA 0.463 4.803 4.340 -0.000 0.000 0.246 169 R C 0.383 176.649 176.300 -0.058 0.000 1.142 169 R CA -0.396 55.651 56.100 -0.088 0.000 1.114 169 R CB 0.840 31.044 30.300 -0.159 0.000 1.256 169 R HN 0.241 nan 8.270 nan 0.000 0.536 170 S N 0.151 115.829 115.700 -0.036 0.000 2.603 170 S HA 0.146 4.616 4.470 -0.000 0.000 0.268 170 S C -1.991 172.551 174.600 -0.098 0.000 1.317 170 S CA -1.159 57.016 58.200 -0.042 0.000 1.012 170 S CB 1.257 64.439 63.200 -0.031 0.000 0.926 170 S HN 0.313 nan 8.310 nan 0.000 0.539 171 P HA -0.153 nan 4.420 nan 0.000 0.219 171 P C 1.426 178.353 177.300 -0.621 0.000 1.146 171 P CA 1.130 63.870 63.100 -0.600 0.000 0.808 171 P CB -0.023 31.013 31.700 -1.106 0.000 0.779 172 Q N -1.030 118.622 119.800 -0.246 0.000 2.311 172 Q HA -0.067 4.273 4.340 -0.000 0.000 0.203 172 Q C 0.953 176.963 176.000 0.017 0.000 0.954 172 Q CA 1.206 57.009 55.803 0.000 0.000 0.885 172 Q CB -0.852 27.926 28.738 0.066 0.000 0.963 172 Q HN 0.294 nan 8.270 nan 0.000 0.471 173 D N 1.322 121.711 120.400 -0.017 0.000 2.240 173 D HA -0.055 4.585 4.640 -0.000 0.000 0.206 173 D C 1.326 177.636 176.300 0.017 0.000 0.963 173 D CA 0.568 54.574 54.000 0.010 0.000 0.863 173 D CB 0.039 40.840 40.800 0.002 0.000 0.973 173 D HN 0.138 nan 8.370 nan 0.000 0.501 174 D N 0.137 120.522 120.400 -0.025 0.000 2.144 174 D HA -0.096 4.544 4.640 -0.000 0.000 0.200 174 D C 2.071 178.426 176.300 0.091 0.000 0.978 174 D CA 0.293 54.278 54.000 -0.025 0.000 0.833 174 D CB 0.041 40.820 40.800 -0.035 0.000 0.961 174 D HN 0.112 nan 8.370 nan 0.000 0.470 175 L N 1.101 122.386 121.223 0.104 0.000 2.083 175 L HA -0.097 4.243 4.340 -0.000 0.000 0.209 175 L C 2.146 179.091 176.870 0.126 0.000 1.083 175 L CA 1.209 56.141 54.840 0.153 0.000 0.752 175 L CB -0.426 41.760 42.059 0.212 0.000 0.899 175 L HN -0.019 nan 8.230 nan 0.000 0.433 176 I N -1.318 119.317 120.570 0.108 0.000 2.202 176 I HA -0.309 3.861 4.170 -0.000 0.000 0.242 176 I C 2.528 178.704 176.117 0.098 0.000 1.091 176 I CA 1.393 62.745 61.300 0.087 0.000 1.368 176 I CB -0.749 37.295 38.000 0.073 0.000 1.058 176 I HN 0.419 nan 8.210 nan 0.000 0.410 177 H N 1.189 120.271 119.070 0.021 0.000 2.457 177 H HA -0.169 4.387 4.556 -0.000 0.000 0.297 177 H C 2.042 177.382 175.328 0.020 0.000 1.092 177 H CA 1.459 57.517 56.048 0.016 0.000 1.309 177 H CB 0.206 29.968 29.762 0.001 0.000 1.382 177 H HN 0.187 nan 8.280 nan 0.000 0.535 178 M N 0.324 120.022 119.600 0.163 0.000 2.447 178 M HA 0.007 4.487 4.480 -0.000 0.000 0.264 178 M C 1.975 178.300 176.300 0.042 0.000 1.095 178 M CA 0.613 55.981 55.300 0.113 0.000 1.125 178 M CB -0.517 32.173 32.600 0.150 0.000 1.389 178 M HN 0.304 nan 8.290 nan 0.000 0.459 179 E N 0.360 120.582 120.200 0.037 0.000 2.152 179 E HA -0.053 4.297 4.350 -0.000 0.000 0.192 179 E C 2.037 178.628 176.600 -0.015 0.000 0.983 179 E CA 1.043 57.454 56.400 0.018 0.000 0.818 179 E CB 0.112 29.827 29.700 0.025 0.000 0.758 179 E HN 0.457 nan 8.360 nan 0.000 0.467 180 A N 1.073 123.863 122.820 -0.049 0.000 1.855 180 A HA -0.074 4.246 4.320 -0.000 0.000 0.213 180 A C 2.140 179.658 177.584 -0.110 0.000 1.195 180 A CA 0.653 52.640 52.037 -0.085 0.000 0.610 180 A CB -0.526 18.402 19.000 -0.120 0.000 0.837 180 A HN 0.101 nan 8.150 nan 0.000 0.444 181 L N -0.374 120.750 121.223 -0.164 0.000 2.046 181 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 181 L C 2.903 179.733 176.870 -0.068 0.000 1.077 181 L CA 1.685 56.438 54.840 -0.145 0.000 0.747 181 L CB -0.508 41.454 42.059 -0.162 0.000 0.896 181 L HN 0.533 nan 8.230 nan 0.000 0.432 182 S N -0.216 115.467 115.700 -0.029 0.000 2.402 182 S HA -0.149 4.321 4.470 -0.000 0.000 0.229 182 S C 1.812 176.404 174.600 -0.013 0.000 1.021 182 S CA 1.039 59.239 58.200 -0.001 0.000 0.974 182 S CB -0.158 63.055 63.200 0.023 0.000 0.800 182 S HN 0.396 nan 8.310 nan 0.000 0.484 183 N N 1.091 119.777 118.700 -0.023 0.000 2.039 183 N HA -0.045 4.695 4.740 -0.000 0.000 0.193 183 N C 1.964 177.457 175.510 -0.028 0.000 1.044 183 N CA 1.813 54.850 53.050 -0.022 0.000 0.847 183 N CB -0.578 37.895 38.487 -0.024 0.000 1.030 183 N HN 0.466 nan 8.380 nan 0.000 0.422 184 S N 1.401 117.076 115.700 -0.042 0.000 2.335 184 S HA 0.003 4.473 4.470 -0.000 0.000 0.216 184 S C 1.813 176.388 174.600 -0.042 0.000 1.032 184 S CA 0.725 58.898 58.200 -0.044 0.000 1.000 184 S CB -0.436 62.729 63.200 -0.059 0.000 0.928 184 S HN 0.272 nan 8.310 nan 0.000 0.434 185 L N 2.399 123.590 121.223 -0.054 0.000 2.713 185 L HA 0.178 4.518 4.340 -0.000 0.000 0.245 185 L C 2.166 179.024 176.870 -0.021 0.000 1.169 185 L CA -0.228 54.588 54.840 -0.041 0.000 0.962 185 L CB -1.426 40.592 42.059 -0.070 0.000 1.161 185 L HN 0.376 nan 8.230 nan 0.000 0.427 186 G N 0.350 109.135 108.800 -0.025 0.000 2.839 186 G HA2 -0.403 3.557 3.960 -0.000 0.000 0.221 186 G HA3 -0.403 3.557 3.960 -0.000 0.000 0.221 186 G C 1.608 176.480 174.900 -0.046 0.000 1.271 186 G CA 1.413 46.498 45.100 -0.025 0.000 0.789 186 G HN 0.419 nan 8.290 nan 0.000 0.659 187 S N -0.123 115.542 115.700 -0.059 0.000 2.511 187 S HA 0.110 4.580 4.470 -0.000 0.000 0.214 187 S C 2.035 176.553 174.600 -0.137 0.000 0.997 187 S CA 0.801 58.941 58.200 -0.099 0.000 0.908 187 S CB -0.089 63.068 63.200 -0.072 0.000 0.803 187 S HN 0.502 nan 8.310 nan 0.000 0.504 188 K N 0.899 121.247 120.400 -0.088 0.000 2.432 188 K HA 0.342 4.662 4.320 -0.000 0.000 0.196 188 K C 0.515 177.064 176.600 -0.084 0.000 1.038 188 K CA 0.494 56.736 56.287 -0.075 0.000 0.986 188 K CB 0.178 32.668 32.500 -0.016 0.000 0.782 188 K HN 0.290 nan 8.250 nan 0.000 0.485 189 A N 0.612 123.386 122.820 -0.077 0.000 2.572 189 A HA 0.585 4.905 4.320 -0.000 0.000 0.295 189 A C -1.712 175.849 177.584 -0.038 0.000 1.072 189 A CA -0.846 51.212 52.037 0.036 0.000 0.691 189 A CB 0.740 19.970 19.000 0.382 0.000 1.291 189 A HN 0.090 nan 8.150 nan 0.000 0.404 190 Y N 0.329 120.721 120.300 0.154 0.000 2.310 190 Y HA 0.606 5.156 4.550 -0.000 0.000 0.326 190 Y C 0.159 176.184 175.900 0.208 0.000 1.151 190 Y CA -0.133 58.046 58.100 0.132 0.000 1.195 190 Y CB 1.318 39.827 38.460 0.081 0.000 1.210 190 Y HN 0.489 nan 8.280 nan 0.000 0.483 191 L N 4.333 125.754 121.223 0.329 0.000 2.362 191 L HA 0.692 5.032 4.340 -0.000 0.000 0.275 191 L C -0.729 176.269 176.870 0.213 0.000 0.998 191 L CA -0.897 54.103 54.840 0.267 0.000 0.820 191 L CB 1.991 44.166 42.059 0.193 0.000 1.270 191 L HN 0.613 nan 8.230 nan 0.000 0.415 192 R N 1.348 121.958 120.500 0.184 0.000 2.808 192 R HA 0.781 5.121 4.340 -0.000 0.000 0.272 192 R C -1.197 175.146 176.300 0.071 0.000 0.995 192 R CA -0.668 55.495 56.100 0.105 0.000 0.917 192 R CB 2.450 32.795 30.300 0.075 0.000 1.217 192 R HN 0.401 nan 8.270 nan 0.000 0.471 193 V N -2.150 117.770 119.914 0.010 0.000 3.074 193 V HA 0.793 4.913 4.120 -0.000 0.000 0.314 193 V C -1.214 174.824 176.094 -0.094 0.000 1.117 193 V CA -0.759 61.521 62.300 -0.033 0.000 1.014 193 V CB 2.338 34.135 31.823 -0.043 0.000 1.057 193 V HN 0.767 nan 8.190 nan 0.000 0.438 194 D N 0.975 121.295 120.400 -0.134 0.000 2.328 194 D HA 0.405 5.045 4.640 -0.000 0.000 0.243 194 D C 0.372 176.529 176.300 -0.239 0.000 1.324 194 D CA -0.278 53.633 54.000 -0.148 0.000 0.966 194 D CB 1.573 42.333 40.800 -0.066 0.000 1.324 194 D HN 0.369 nan 8.370 nan 0.000 0.549 195 V N 2.571 122.257 119.914 -0.380 0.000 3.241 195 V HA -0.091 4.029 4.120 -0.000 0.000 0.269 195 V C 0.931 176.791 176.094 -0.390 0.000 1.151 195 V CA 0.532 62.477 62.300 -0.591 0.000 1.158 195 V CB -1.252 29.968 31.823 -1.006 0.000 0.764 195 V HN 0.757 nan 8.190 nan 0.000 0.508 196 N N 0.600 119.160 118.700 -0.233 0.000 2.710 196 N HA -0.301 4.439 4.740 -0.000 0.000 0.249 196 N C 0.768 176.166 175.510 -0.186 0.000 1.059 196 N CA 1.314 54.266 53.050 -0.163 0.000 0.720 196 N CB -1.019 37.413 38.487 -0.092 0.000 0.983 196 N HN 0.872 nan 8.380 nan 0.000 0.544 197 Q N -4.787 114.894 119.800 -0.198 0.000 2.311 197 Q HA -0.329 4.011 4.340 -0.000 0.000 0.178 197 Q C 1.231 177.158 176.000 -0.121 0.000 0.596 197 Q CA 1.520 57.232 55.803 -0.151 0.000 1.377 197 Q CB -1.743 26.905 28.738 -0.149 0.000 1.372 197 Q HN 0.572 nan 8.270 nan 0.000 0.896 198 A N 0.154 122.863 122.820 -0.184 0.000 1.948 198 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 198 A C 0.436 178.060 177.584 0.067 0.000 1.177 198 A CA 1.147 53.115 52.037 -0.115 0.000 0.636 198 A CB -0.300 18.580 19.000 -0.200 0.000 0.815 198 A HN 0.402 nan 8.150 nan 0.000 0.449 199 W N 0.310 121.569 121.300 -0.069 0.000 2.272 199 W HA 0.418 5.078 4.660 -0.000 0.000 0.318 199 W C -0.272 176.224 176.519 -0.038 0.000 1.255 199 W CA -1.115 56.196 57.345 -0.057 0.000 1.200 199 W CB -0.014 29.415 29.460 -0.053 0.000 1.170 199 W HN 0.243 nan 8.180 nan 0.000 0.549 200 D N 2.391 122.906 120.400 0.192 0.000 2.564 200 D HA 0.043 4.683 4.640 -0.000 0.000 0.226 200 D C 1.128 177.469 176.300 0.068 0.000 1.149 200 D CA 0.207 54.263 54.000 0.093 0.000 0.994 200 D CB -0.124 40.708 40.800 0.054 0.000 1.029 200 D HN 0.590 nan 8.370 nan 0.000 0.517 201 E N 0.974 121.223 120.200 0.082 0.000 4.390 201 E HA -0.525 3.825 4.350 -0.000 0.000 0.198 201 E C 1.241 177.858 176.600 0.030 0.000 1.342 201 E CA 2.374 58.806 56.400 0.055 0.000 2.211 201 E CB -0.698 29.020 29.700 0.030 0.000 1.917 201 E HN 0.438 nan 8.360 nan 0.000 0.280 202 Q N 0.620 120.425 119.800 0.009 0.000 2.077 202 Q HA -0.122 4.218 4.340 -0.000 0.000 0.206 202 Q C 2.080 178.060 176.000 -0.033 0.000 0.989 202 Q CA 2.711 58.505 55.803 -0.013 0.000 0.853 202 Q CB -0.460 28.270 28.738 -0.014 0.000 0.907 202 Q HN 0.434 nan 8.270 nan 0.000 0.418 203 V N 0.649 120.537 119.914 -0.043 0.000 2.515 203 V HA -0.210 3.909 4.120 -0.000 0.000 0.250 203 V C 2.252 178.228 176.094 -0.196 0.000 1.058 203 V CA 1.611 63.840 62.300 -0.118 0.000 1.064 203 V CB -1.110 30.562 31.823 -0.251 0.000 0.675 203 V HN 0.537 nan 8.190 nan 0.000 0.461 204 A N 0.566 123.345 122.820 -0.068 0.000 1.930 204 A HA -0.170 4.150 4.320 -0.000 0.000 0.217 204 A C 2.540 180.134 177.584 0.016 0.000 1.175 204 A CA 1.986 54.055 52.037 0.054 0.000 0.627 204 A CB -0.636 18.496 19.000 0.220 0.000 0.815 204 A HN 0.669 nan 8.150 nan 0.000 0.443 205 S N 0.314 116.008 115.700 -0.010 0.000 2.368 205 S HA -0.151 4.319 4.470 -0.000 0.000 0.224 205 S C 1.845 176.398 174.600 -0.078 0.000 1.029 205 S CA 1.628 59.811 58.200 -0.027 0.000 0.988 205 S CB -1.302 61.882 63.200 -0.027 0.000 0.838 205 S HN 1.050 nan 8.310 nan 0.000 0.462 206 V N -2.166 117.667 119.914 -0.135 0.000 2.591 206 V HA 0.136 4.256 4.120 -0.000 0.000 0.249 206 V C 2.063 177.924 176.094 -0.389 0.000 1.053 206 V CA 0.848 62.993 62.300 -0.258 0.000 1.068 206 V CB -1.403 30.221 31.823 -0.331 0.000 0.689 206 V HN 0.428 nan 8.190 nan 0.000 0.462 207 Y N -0.014 120.120 120.300 -0.276 0.000 2.490 207 Y HA 0.342 4.892 4.550 -0.000 0.000 0.285 207 Y C 2.284 178.096 175.900 -0.146 0.000 1.117 207 Y CA 0.916 58.823 58.100 -0.322 0.000 1.262 207 Y CB -0.071 37.939 38.460 -0.750 0.000 1.043 207 Y HN 0.151 nan 8.280 nan 0.000 0.553 208 I N 0.492 121.096 120.570 0.057 0.000 2.252 208 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 208 I C -0.748 175.410 176.117 0.068 0.000 1.102 208 I CA 0.943 62.320 61.300 0.128 0.000 1.385 208 I CB -1.190 36.885 38.000 0.124 0.000 1.064 208 I HN 0.130 nan 8.210 nan 0.000 0.414 209 P HA -0.146 nan 4.420 nan 0.000 0.218 209 P C 1.328 178.627 177.300 -0.001 0.000 1.149 209 P CA 1.183 64.280 63.100 -0.004 0.000 0.817 209 P CB -0.018 31.658 31.700 -0.040 0.000 0.785 210 E N -0.224 119.966 120.200 -0.017 0.000 2.051 210 E HA -0.114 4.236 4.350 -0.000 0.000 0.192 210 E C 2.107 178.739 176.600 0.054 0.000 0.991 210 E CA 1.079 57.478 56.400 -0.002 0.000 0.799 210 E CB -0.870 28.813 29.700 -0.028 0.000 0.748 210 E HN 0.325 nan 8.360 nan 0.000 0.449 211 L N 0.833 122.116 121.223 0.100 0.000 2.141 211 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 211 L C 2.665 179.589 176.870 0.090 0.000 1.094 211 L CA 1.110 56.023 54.840 0.122 0.000 0.763 211 L CB -0.435 41.730 42.059 0.178 0.000 0.908 211 L HN 0.160 nan 8.230 nan 0.000 0.437 212 E N 0.880 121.124 120.200 0.074 0.000 2.077 212 E HA -0.234 4.116 4.350 -0.000 0.000 0.193 212 E C 2.164 178.793 176.600 0.048 0.000 0.989 212 E CA 1.214 57.649 56.400 0.059 0.000 0.800 212 E CB 0.011 29.738 29.700 0.045 0.000 0.746 212 E HN 0.449 nan 8.360 nan 0.000 0.452 213 A N 0.554 123.396 122.820 0.036 0.000 2.168 213 A HA -0.013 4.307 4.320 -0.000 0.000 0.215 213 A C 1.889 179.492 177.584 0.032 0.000 1.152 213 A CA 0.505 52.558 52.037 0.026 0.000 0.716 213 A CB -0.211 18.796 19.000 0.012 0.000 0.794 213 A HN 0.306 nan 8.150 nan 0.000 0.465 214 L N -1.354 119.897 121.223 0.046 0.000 2.592 214 L HA 0.226 4.565 4.340 -0.000 0.000 0.227 214 L C 1.533 178.435 176.870 0.053 0.000 1.127 214 L CA 0.515 55.384 54.840 0.048 0.000 0.884 214 L CB -0.024 42.071 42.059 0.060 0.000 1.065 214 L HN 0.539 nan 8.230 nan 0.000 0.457 215 G N 0.200 109.034 108.800 0.057 0.000 2.132 215 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.234 215 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.234 215 G C 0.200 175.156 174.900 0.093 0.000 0.989 215 G CA -0.037 45.103 45.100 0.066 0.000 0.676 215 G HN 0.090 nan 8.290 nan 0.000 0.522 216 V N 1.395 121.367 119.914 0.097 0.000 2.521 216 V HA 0.285 4.405 4.120 -0.000 0.000 0.286 216 V C 1.576 177.742 176.094 0.120 0.000 1.034 216 V CA 0.987 63.355 62.300 0.115 0.000 1.045 216 V CB 1.262 33.148 31.823 0.106 0.000 0.974 216 V HN 0.689 nan 8.190 nan 0.000 0.480 217 E N 4.492 124.785 120.200 0.155 0.000 2.442 217 E HA 0.162 4.512 4.350 -0.000 0.000 0.195 217 E C 0.068 176.757 176.600 0.149 0.000 1.030 217 E CA -0.032 56.480 56.400 0.186 0.000 0.869 217 E CB 0.554 30.418 29.700 0.274 0.000 0.857 217 E HN 0.411 nan 8.360 nan 0.000 0.505 218 L N 0.911 122.166 121.223 0.055 0.000 2.565 218 L HA 0.434 4.773 4.340 -0.000 0.000 0.261 218 L C -1.924 174.893 176.870 -0.088 0.000 0.932 218 L CA -0.634 54.146 54.840 -0.100 0.000 0.878 218 L CB 2.235 44.124 42.059 -0.283 0.000 1.333 218 L HN 0.059 nan 8.230 nan 0.000 0.409 219 I N 3.929 124.438 120.570 -0.101 0.000 2.437 219 I HA 0.366 4.536 4.170 -0.000 0.000 0.279 219 I C -0.259 175.787 176.117 -0.118 0.000 1.028 219 I CA -0.433 60.824 61.300 -0.072 0.000 1.142 219 I CB 1.645 39.649 38.000 0.007 0.000 1.266 219 I HN 0.622 nan 8.210 nan 0.000 0.461 220 E N 6.129 126.241 120.200 -0.147 0.000 2.259 220 E HA 0.091 4.441 4.350 -0.000 0.000 0.281 220 E C -0.059 176.468 176.600 -0.123 0.000 1.037 220 E CA -0.516 55.794 56.400 -0.149 0.000 0.854 220 E CB 0.687 30.291 29.700 -0.159 0.000 1.051 220 E HN 0.458 nan 8.360 nan 0.000 0.409 221 Q N 3.407 123.149 119.800 -0.096 0.000 2.439 221 Q HA -0.176 4.164 4.340 -0.000 0.000 0.361 221 Q C -2.273 173.660 176.000 -0.112 0.000 1.408 221 Q CA 0.494 56.242 55.803 -0.092 0.000 1.052 221 Q CB -0.598 28.079 28.738 -0.101 0.000 1.233 221 Q HN 0.557 nan 8.270 nan 0.000 0.347 222 P HA -0.142 nan 4.420 nan 0.000 0.214 222 P C 0.497 177.799 177.300 0.004 0.000 1.163 222 P CA 1.777 64.862 63.100 -0.024 0.000 0.883 222 P CB 0.017 31.780 31.700 0.105 0.000 0.788 223 V N -4.054 115.873 119.914 0.021 0.000 3.463 223 V HA 0.741 4.861 4.120 -0.000 0.000 0.302 223 V C 0.788 176.862 176.094 -0.034 0.000 1.097 223 V CA -0.735 61.578 62.300 0.022 0.000 1.003 223 V CB -0.340 31.504 31.823 0.035 0.000 1.229 223 V HN 0.142 nan 8.190 nan 0.000 0.444 224 G N 0.122 108.902 108.800 -0.032 0.000 2.630 224 G HA2 0.157 4.117 3.960 -0.000 0.000 0.236 224 G HA3 0.157 4.117 3.960 -0.000 0.000 0.236 224 G C 0.824 175.677 174.900 -0.078 0.000 1.248 224 G CA 0.203 45.265 45.100 -0.063 0.000 0.844 224 G HN 1.198 nan 8.290 nan 0.000 0.588 225 R N -0.271 120.162 120.500 -0.112 0.000 2.120 225 R HA -0.043 4.297 4.340 -0.000 0.000 0.234 225 R C 1.612 177.861 176.300 -0.084 0.000 1.123 225 R CA 1.776 57.803 56.100 -0.121 0.000 0.975 225 R CB -0.155 30.040 30.300 -0.175 0.000 0.866 225 R HN 0.643 nan 8.270 nan 0.000 0.446 226 E N 0.692 120.851 120.200 -0.069 0.000 2.318 226 E HA -0.035 4.315 4.350 -0.000 0.000 0.193 226 E C 0.255 176.833 176.600 -0.035 0.000 0.998 226 E CA 0.084 56.454 56.400 -0.050 0.000 0.859 226 E CB 0.034 29.707 29.700 -0.045 0.000 0.812 226 E HN 0.442 nan 8.360 nan 0.000 0.492 227 N N 1.923 120.603 118.700 -0.032 0.000 3.243 227 N HA -0.032 4.708 4.740 -0.000 0.000 0.310 227 N C 1.061 176.561 175.510 -0.016 0.000 1.313 227 N CA -0.124 52.914 53.050 -0.020 0.000 1.204 227 N CB 0.229 38.708 38.487 -0.013 0.000 1.483 227 N HN 0.057 nan 8.380 nan 0.000 0.553 228 T N -1.974 112.569 114.554 -0.018 0.000 3.098 228 T HA -0.090 4.260 4.350 -0.000 0.000 0.266 228 T C 1.416 176.111 174.700 -0.009 0.000 1.145 228 T CA 0.756 62.849 62.100 -0.013 0.000 1.092 228 T CB 0.132 68.992 68.868 -0.014 0.000 0.908 228 T HN 0.287 nan 8.240 nan 0.000 0.526 229 Q N 0.254 120.049 119.800 -0.010 0.000 2.302 229 Q HA 0.340 4.679 4.340 -0.000 0.000 0.202 229 Q C 2.613 178.610 176.000 -0.005 0.000 0.936 229 Q CA 1.109 56.907 55.803 -0.009 0.000 0.886 229 Q CB -0.273 28.459 28.738 -0.009 0.000 0.986 229 Q HN 0.723 nan 8.270 nan 0.000 0.487 230 A N 0.839 123.658 122.820 -0.001 0.000 1.898 230 A HA -0.094 4.226 4.320 -0.000 0.000 0.214 230 A C 2.076 179.665 177.584 0.008 0.000 1.183 230 A CA 0.667 52.707 52.037 0.005 0.000 0.622 230 A CB -0.529 18.478 19.000 0.011 0.000 0.824 230 A HN 0.257 nan 8.150 nan 0.000 0.444 231 L N 0.037 121.264 121.223 0.005 0.000 2.129 231 L HA -0.175 4.165 4.340 -0.000 0.000 0.212 231 L C 2.484 179.356 176.870 0.003 0.000 1.087 231 L CA 2.161 57.004 54.840 0.006 0.000 0.757 231 L CB -0.532 41.529 42.059 0.002 0.000 0.896 231 L HN 0.503 nan 8.230 nan 0.000 0.434 232 R N -1.040 119.459 120.500 -0.001 0.000 2.055 232 R HA -0.067 4.273 4.340 -0.000 0.000 0.226 232 R C 2.425 178.722 176.300 -0.006 0.000 1.135 232 R CA 0.901 56.996 56.100 -0.007 0.000 0.959 232 R CB -0.118 30.175 30.300 -0.012 0.000 0.854 232 R HN 0.251 nan 8.270 nan 0.000 0.431 233 R N 0.427 120.925 120.500 -0.003 0.000 2.091 233 R HA -0.132 4.208 4.340 -0.000 0.000 0.238 233 R C 2.402 178.703 176.300 0.001 0.000 1.136 233 R CA 1.617 57.716 56.100 -0.003 0.000 0.959 233 R CB -0.447 29.852 30.300 -0.002 0.000 0.856 233 R HN 0.264 nan 8.270 nan 0.000 0.437 234 L N 0.053 121.280 121.223 0.008 0.000 2.046 234 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 234 L C 2.405 179.281 176.870 0.009 0.000 1.077 234 L CA 1.226 56.075 54.840 0.015 0.000 0.747 234 L CB -0.347 41.730 42.059 0.030 0.000 0.896 234 L HN 0.124 nan 8.230 nan 0.000 0.432 235 S N -0.534 115.167 115.700 0.002 0.000 2.402 235 S HA -0.156 4.314 4.470 -0.000 0.000 0.229 235 S C 1.453 176.049 174.600 -0.006 0.000 1.021 235 S CA 1.247 59.444 58.200 -0.005 0.000 0.974 235 S CB -0.221 62.971 63.200 -0.013 0.000 0.800 235 S HN 0.465 nan 8.310 nan 0.000 0.484 236 D N 1.217 121.613 120.400 -0.007 0.000 2.249 236 D HA 0.043 4.683 4.640 -0.000 0.000 0.205 236 D C 1.018 177.315 176.300 -0.005 0.000 0.962 236 D CA 0.673 54.668 54.000 -0.007 0.000 0.860 236 D CB -0.392 40.402 40.800 -0.009 0.000 0.955 236 D HN 0.473 nan 8.370 nan 0.000 0.505 237 N N 0.108 118.806 118.700 -0.003 0.000 2.336 237 N HA 0.033 4.773 4.740 -0.000 0.000 0.189 237 N C -0.111 175.399 175.510 -0.001 0.000 1.113 237 N CA 0.087 53.134 53.050 -0.004 0.000 0.858 237 N CB 0.493 38.976 38.487 -0.006 0.000 0.970 237 N HN -0.010 nan 8.380 nan 0.000 0.471 238 N N 0.210 118.912 118.700 0.004 0.000 2.249 238 N HA 0.232 4.972 4.740 -0.000 0.000 0.296 238 N C 0.092 175.609 175.510 0.012 0.000 1.051 238 N CA -0.470 52.586 53.050 0.010 0.000 0.815 238 N CB 1.777 40.274 38.487 0.018 0.000 1.487 238 N HN -0.040 nan 8.380 nan 0.000 0.475 239 R N -0.018 120.492 120.500 0.016 0.000 2.148 239 R HA 0.069 4.409 4.340 -0.000 0.000 0.223 239 R C 0.578 176.896 176.300 0.031 0.000 1.088 239 R CA 0.462 56.574 56.100 0.021 0.000 0.985 239 R CB -0.276 30.037 30.300 0.023 0.000 0.880 239 R HN 0.378 nan 8.270 nan 0.000 0.451 240 V N 1.677 121.612 119.914 0.034 0.000 3.209 240 V HA 0.047 4.167 4.120 -0.000 0.000 0.305 240 V C 0.818 176.925 176.094 0.021 0.000 1.127 240 V CA -0.462 61.862 62.300 0.040 0.000 1.235 240 V CB 0.273 32.120 31.823 0.040 0.000 0.987 240 V HN 0.205 nan 8.190 nan 0.000 0.499 241 A N 4.928 127.756 122.820 0.014 0.000 2.309 241 A HA 0.660 4.980 4.320 -0.000 0.000 0.290 241 A C -0.283 177.230 177.584 -0.117 0.000 1.206 241 A CA -0.440 51.568 52.037 -0.048 0.000 0.850 241 A CB -0.149 18.813 19.000 -0.064 0.000 1.118 241 A HN 0.732 nan 8.150 nan 0.000 0.523 242 I N 3.302 123.810 120.570 -0.103 0.000 2.336 242 I HA 0.305 4.475 4.170 -0.000 0.000 0.292 242 I C 0.134 176.169 176.117 -0.137 0.000 0.991 242 I CA -0.080 61.159 61.300 -0.101 0.000 1.227 242 I CB 1.579 39.553 38.000 -0.045 0.000 1.366 242 I HN 0.799 nan 8.210 nan 0.000 0.466 243 M N 6.294 125.790 119.600 -0.174 0.000 2.404 243 M HA 0.684 5.164 4.480 -0.000 0.000 0.338 243 M C -0.729 175.531 176.300 -0.066 0.000 1.150 243 M CA -0.290 54.910 55.300 -0.167 0.000 1.016 243 M CB 1.656 34.057 32.600 -0.332 0.000 1.672 243 M HN 0.642 nan 8.290 nan 0.000 0.448 244 A N 3.092 125.930 122.820 0.031 0.000 2.290 244 A HA 0.451 4.771 4.320 -0.000 0.000 0.310 244 A C -0.491 177.119 177.584 0.042 0.000 1.202 244 A CA -0.508 51.556 52.037 0.046 0.000 0.837 244 A CB 0.751 19.819 19.000 0.113 0.000 1.139 244 A HN 0.973 nan 8.150 nan 0.000 0.509 245 D N 0.960 121.373 120.400 0.021 0.000 3.195 245 D HA 0.027 4.667 4.640 -0.000 0.000 0.245 245 D C 1.356 177.688 176.300 0.054 0.000 1.462 245 D CA 0.604 54.663 54.000 0.099 0.000 1.259 245 D CB 0.028 40.922 40.800 0.158 0.000 1.199 245 D HN 0.479 nan 8.370 nan 0.000 0.345 246 E N 0.116 120.242 120.200 -0.123 0.000 2.204 246 E HA 0.005 4.355 4.350 -0.000 0.000 0.194 246 E C 2.005 178.480 176.600 -0.208 0.000 0.989 246 E CA 0.919 57.107 56.400 -0.353 0.000 0.824 246 E CB 0.057 29.450 29.700 -0.511 0.000 0.756 246 E HN 0.087 nan 8.360 nan 0.000 0.477 247 S N 0.244 115.868 115.700 -0.127 0.000 2.402 247 S HA -0.021 4.449 4.470 -0.000 0.000 0.229 247 S C 0.781 175.325 174.600 -0.093 0.000 1.021 247 S CA 0.345 58.487 58.200 -0.097 0.000 0.974 247 S CB -0.036 63.126 63.200 -0.064 0.000 0.800 247 S HN 0.167 nan 8.310 nan 0.000 0.484 248 L N 1.250 122.416 121.223 -0.095 0.000 2.410 248 L HA 0.218 4.558 4.340 -0.000 0.000 0.273 248 L C 1.065 177.900 176.870 -0.058 0.000 1.152 248 L CA -0.097 54.664 54.840 -0.133 0.000 0.855 248 L CB 1.317 43.268 42.059 -0.180 0.000 1.129 248 L HN 0.157 nan 8.230 nan 0.000 0.463 249 S N 0.455 116.117 115.700 -0.064 0.000 4.736 249 S HA 0.144 4.614 4.470 -0.000 0.000 0.170 249 S C 0.316 174.904 174.600 -0.020 0.000 1.074 249 S CA 0.431 58.620 58.200 -0.018 0.000 1.250 249 S CB 0.339 63.526 63.200 -0.021 0.000 1.772 249 S HN 0.733 nan 8.310 nan 0.000 0.633 250 T N 0.897 115.435 114.554 -0.028 0.000 2.948 250 T HA 0.595 4.945 4.350 -0.000 0.000 0.285 250 T C 1.022 175.711 174.700 -0.018 0.000 1.019 250 T CA -0.264 61.827 62.100 -0.016 0.000 1.013 250 T CB 1.117 69.981 68.868 -0.006 0.000 1.117 250 T HN 0.209 nan 8.240 nan 0.000 0.533 251 L N 1.277 122.499 121.223 -0.002 0.000 2.079 251 L HA 0.064 4.404 4.340 -0.000 0.000 0.210 251 L C 2.673 179.576 176.870 0.054 0.000 1.081 251 L CA 2.433 57.283 54.840 0.016 0.000 0.752 251 L CB -1.438 40.629 42.059 0.014 0.000 0.896 251 L HN 0.927 nan 8.230 nan 0.000 0.433 252 A N -0.957 121.893 122.820 0.050 0.000 1.902 252 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 252 A C 2.481 180.132 177.584 0.112 0.000 1.181 252 A CA 1.995 54.091 52.037 0.098 0.000 0.623 252 A CB -1.113 17.925 19.000 0.063 0.000 0.818 252 A HN 0.664 nan 8.150 nan 0.000 0.443 253 S N 0.047 115.769 115.700 0.037 0.000 2.423 253 S HA 0.091 4.561 4.470 -0.000 0.000 0.231 253 S C 2.018 176.601 174.600 -0.028 0.000 1.014 253 S CA 1.228 59.428 58.200 -0.001 0.000 0.965 253 S CB -0.537 62.638 63.200 -0.041 0.000 0.785 253 S HN 0.840 nan 8.310 nan 0.000 0.495 254 A N 1.394 124.184 122.820 -0.051 0.000 1.873 254 A HA 0.099 4.419 4.320 -0.000 0.000 0.215 254 A C 1.962 179.659 177.584 0.188 0.000 1.186 254 A CA 1.381 53.335 52.037 -0.138 0.000 0.616 254 A CB -1.122 17.792 19.000 -0.144 0.000 0.823 254 A HN 0.592 nan 8.150 nan 0.000 0.442 255 F N 1.191 121.186 119.950 0.075 0.000 2.186 255 F HA -0.128 4.399 4.527 0.000 0.000 0.299 255 F C 1.786 177.643 175.800 0.095 0.000 1.090 255 F CA 1.820 59.883 58.000 0.105 0.000 1.307 255 F CB -0.262 38.775 39.000 0.061 0.000 1.019 255 F HN 0.318 nan 8.300 nan 0.000 0.489 256 D N 0.357 120.753 120.400 -0.007 0.000 2.144 256 D HA -0.174 4.466 4.640 -0.000 0.000 0.199 256 D C 2.152 178.395 176.300 -0.095 0.000 0.984 256 D CA 1.427 55.366 54.000 -0.102 0.000 0.834 256 D CB -0.204 40.597 40.800 0.002 0.000 0.955 256 D HN 0.417 nan 8.370 nan 0.000 0.465 257 L N -0.315 120.918 121.223 0.017 0.000 2.209 257 L HA 0.094 4.434 4.340 -0.000 0.000 0.207 257 L C 2.393 179.305 176.870 0.069 0.000 1.094 257 L CA 0.817 55.710 54.840 0.089 0.000 0.790 257 L CB -0.208 41.991 42.059 0.233 0.000 0.932 257 L HN -0.012 nan 8.230 nan 0.000 0.447 258 A N -0.167 122.695 122.820 0.070 0.000 2.167 258 A HA -0.069 4.251 4.320 -0.000 0.000 0.214 258 A C 2.264 179.743 177.584 -0.175 0.000 1.151 258 A CA 0.496 52.512 52.037 -0.034 0.000 0.735 258 A CB -0.270 18.777 19.000 0.080 0.000 0.802 258 A HN 0.275 nan 8.150 nan 0.000 0.467 259 R N 0.283 120.586 120.500 -0.327 0.000 2.082 259 R HA -0.099 4.241 4.340 -0.000 0.000 0.234 259 R C 0.344 176.551 176.300 -0.155 0.000 1.136 259 R CA 1.608 57.512 56.100 -0.327 0.000 0.935 259 R CB -0.236 29.830 30.300 -0.390 0.000 0.842 259 R HN 0.383 nan 8.270 nan 0.000 0.430 260 D N -0.252 120.077 120.400 -0.118 0.000 2.424 260 D HA 0.044 4.684 4.640 -0.000 0.000 0.220 260 D C -0.379 175.886 176.300 -0.059 0.000 1.150 260 D CA -0.125 53.832 54.000 -0.072 0.000 0.831 260 D CB 0.318 41.084 40.800 -0.057 0.000 0.981 260 D HN 0.108 nan 8.370 nan 0.000 0.500 261 R N 0.912 121.370 120.500 -0.070 0.000 3.146 261 R HA -0.189 4.151 4.340 -0.000 0.000 0.250 261 R C 0.089 176.361 176.300 -0.046 0.000 0.912 261 R CA 0.254 56.314 56.100 -0.068 0.000 0.633 261 R CB -1.925 28.337 30.300 -0.064 0.000 1.180 261 R HN -0.050 nan 8.270 nan 0.000 0.464 262 S N -0.589 115.094 115.700 -0.028 0.000 2.453 262 S HA 0.003 4.473 4.470 -0.000 0.000 0.231 262 S C 0.859 175.458 174.600 -0.001 0.000 1.005 262 S CA 0.805 58.999 58.200 -0.009 0.000 0.949 262 S CB 0.257 63.460 63.200 0.005 0.000 0.774 262 S HN 0.495 nan 8.310 nan 0.000 0.510 263 V N -1.386 118.523 119.914 -0.007 0.000 3.078 263 V HA 0.546 4.665 4.120 -0.000 0.000 0.311 263 V C -0.201 175.836 176.094 -0.095 0.000 1.138 263 V CA -0.935 61.353 62.300 -0.019 0.000 1.007 263 V CB 1.721 33.585 31.823 0.069 0.000 1.045 263 V HN -0.142 nan 8.190 nan 0.000 0.432 264 D N 0.354 120.693 120.400 -0.100 0.000 2.262 264 D HA 0.194 4.834 4.640 -0.000 0.000 0.212 264 D C 0.265 176.467 176.300 -0.163 0.000 0.964 264 D CA 1.314 55.243 54.000 -0.119 0.000 0.875 264 D CB 1.233 41.980 40.800 -0.088 0.000 0.996 264 D HN 0.415 nan 8.370 nan 0.000 0.497 265 V N 1.543 121.356 119.914 -0.167 0.000 2.709 265 V HA 0.276 4.396 4.120 -0.000 0.000 0.308 265 V C -0.807 175.314 176.094 0.045 0.000 1.062 265 V CA -0.871 61.343 62.300 -0.143 0.000 0.901 265 V CB 2.408 34.052 31.823 -0.299 0.000 1.003 265 V HN -0.138 nan 8.190 nan 0.000 0.425 266 F N 1.964 121.906 119.950 -0.013 0.000 2.408 266 F HA 0.494 5.021 4.527 -0.000 0.000 0.344 266 F C 0.803 176.640 175.800 0.061 0.000 1.112 266 F CA -0.867 57.145 58.000 0.019 0.000 1.096 266 F CB 1.832 40.858 39.000 0.044 0.000 1.129 266 F HN 0.457 nan 8.300 nan 0.000 0.486 267 S N 5.401 121.253 115.700 0.253 0.000 2.411 267 S HA 0.509 4.979 4.470 -0.000 0.000 0.294 267 S C -0.423 174.289 174.600 0.187 0.000 1.115 267 S CA -0.676 57.679 58.200 0.259 0.000 1.071 267 S CB -0.314 63.024 63.200 0.230 0.000 0.967 267 S HN 0.474 nan 8.310 nan 0.000 0.488 268 L N 5.828 127.142 121.223 0.151 0.000 2.361 268 L HA 0.414 4.754 4.340 -0.000 0.000 0.278 268 L C 0.320 177.286 176.870 0.160 0.000 1.113 268 L CA 0.094 55.019 54.840 0.141 0.000 0.849 268 L CB 0.353 42.510 42.059 0.163 0.000 1.155 268 L HN 0.520 nan 8.230 nan 0.000 0.452 269 K N 4.663 125.140 120.400 0.129 0.000 2.640 269 K HA 0.295 4.615 4.320 -0.000 0.000 0.245 269 K C 0.587 177.215 176.600 0.047 0.000 0.962 269 K CA -0.561 55.776 56.287 0.082 0.000 0.896 269 K CB 2.143 34.660 32.500 0.029 0.000 1.147 269 K HN 0.527 nan 8.250 nan 0.000 0.445 270 L N 0.385 121.623 121.223 0.026 0.000 2.013 270 L HA -0.293 4.047 4.340 -0.000 0.000 0.212 270 L C 2.033 178.890 176.870 -0.021 0.000 1.073 270 L CA 1.526 56.358 54.840 -0.013 0.000 0.753 270 L CB -0.533 41.489 42.059 -0.063 0.000 0.890 270 L HN 0.735 nan 8.230 nan 0.000 0.432 271 C N -0.331 118.946 119.300 -0.039 0.000 2.435 271 C HA -0.104 4.356 4.460 -0.000 0.000 0.279 271 C C 2.547 177.537 174.990 0.000 0.000 1.321 271 C CA 1.061 60.059 59.018 -0.033 0.000 1.752 271 C CB -1.166 26.538 27.740 -0.060 0.000 1.959 271 C HN 0.581 nan 8.230 nan 0.000 0.500 272 N N -0.064 118.645 118.700 0.014 0.000 2.446 272 N HA 0.087 4.827 4.740 -0.000 0.000 0.179 272 N C 1.388 176.944 175.510 0.076 0.000 1.054 272 N CA 0.905 54.016 53.050 0.102 0.000 0.905 272 N CB -0.052 38.549 38.487 0.190 0.000 0.973 272 N HN 0.454 nan 8.380 nan 0.000 0.448 273 M N -2.142 117.482 119.600 0.040 0.000 2.308 273 M HA 0.342 4.822 4.480 -0.000 0.000 0.269 273 M C 0.677 176.984 176.300 0.012 0.000 1.040 273 M CA 0.323 55.638 55.300 0.024 0.000 1.024 273 M CB 1.137 33.752 32.600 0.024 0.000 1.465 273 M HN 0.117 nan 8.290 nan 0.000 0.517 274 G N 1.169 109.973 108.800 0.007 0.000 2.131 274 G HA2 0.076 4.036 3.960 -0.000 0.000 0.201 274 G HA3 0.076 4.036 3.960 -0.000 0.000 0.201 274 G C 0.308 175.201 174.900 -0.012 0.000 1.000 274 G CA -0.104 44.995 45.100 -0.001 0.000 0.680 274 G HN 0.910 nan 8.290 nan 0.000 0.514 275 G N -2.534 106.255 108.800 -0.019 0.000 2.422 275 G HA2 0.180 4.140 3.960 -0.000 0.000 0.607 275 G HA3 0.180 4.140 3.960 -0.000 0.000 0.607 275 G C 0.652 175.531 174.900 -0.034 0.000 1.270 275 G CA 0.173 45.252 45.100 -0.036 0.000 0.992 275 G HN 1.203 nan 8.290 nan 0.000 0.499 276 V N 0.401 120.284 119.914 -0.051 0.000 2.407 276 V HA -0.049 4.071 4.120 -0.000 0.000 0.245 276 V C 2.955 179.036 176.094 -0.023 0.000 1.041 276 V CA 2.883 65.153 62.300 -0.050 0.000 1.040 276 V CB -0.485 31.292 31.823 -0.076 0.000 0.671 276 V HN 0.784 nan 8.190 nan 0.000 0.455 277 S N 0.597 116.283 115.700 -0.023 0.000 2.382 277 S HA -0.136 4.333 4.470 -0.000 0.000 0.228 277 S C 2.192 176.792 174.600 0.001 0.000 1.027 277 S CA 1.418 59.612 58.200 -0.011 0.000 0.991 277 S CB -0.399 62.792 63.200 -0.014 0.000 0.823 277 S HN 0.634 nan 8.310 nan 0.000 0.469 278 A N 1.281 124.102 122.820 0.000 0.000 1.897 278 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 278 A C 2.321 179.919 177.584 0.022 0.000 1.181 278 A CA 1.803 53.845 52.037 0.008 0.000 0.620 278 A CB -1.278 17.724 19.000 0.003 0.000 0.821 278 A HN 0.441 nan 8.150 nan 0.000 0.443 279 T N 0.230 114.801 114.554 0.028 0.000 2.720 279 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 279 T C 2.047 176.791 174.700 0.074 0.000 1.037 279 T CA 1.815 63.950 62.100 0.058 0.000 1.144 279 T CB -0.299 68.614 68.868 0.073 0.000 0.864 279 T HN 0.605 nan 8.240 nan 0.000 0.444 280 Q N 0.510 120.344 119.800 0.056 0.000 2.135 280 Q HA -0.119 4.221 4.340 -0.000 0.000 0.204 280 Q C 2.384 178.422 176.000 0.064 0.000 0.981 280 Q CA 1.312 57.151 55.803 0.060 0.000 0.856 280 Q CB -0.139 28.620 28.738 0.036 0.000 0.902 280 Q HN 0.482 nan 8.270 nan 0.000 0.425 281 K N 0.272 120.703 120.400 0.051 0.000 2.097 281 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 281 K C 1.954 178.602 176.600 0.081 0.000 1.050 281 K CA 0.937 57.255 56.287 0.052 0.000 0.938 281 K CB 0.012 32.531 32.500 0.031 0.000 0.718 281 K HN 0.205 nan 8.250 nan 0.000 0.442 282 I N 0.764 121.385 120.570 0.086 0.000 2.439 282 I HA -0.191 3.979 4.170 -0.000 0.000 0.251 282 I C 2.244 178.483 176.117 0.204 0.000 1.139 282 I CA 0.707 62.078 61.300 0.119 0.000 1.438 282 I CB -0.229 37.797 38.000 0.044 0.000 1.085 282 I HN 0.112 nan 8.210 nan 0.000 0.427 283 A N 0.506 123.425 122.820 0.164 0.000 2.168 283 A HA 0.085 4.405 4.320 -0.000 0.000 0.215 283 A C 2.382 180.048 177.584 0.137 0.000 1.152 283 A CA 1.390 53.528 52.037 0.168 0.000 0.716 283 A CB -0.398 18.685 19.000 0.138 0.000 0.794 283 A HN 0.420 nan 8.150 nan 0.000 0.465 284 A N -0.253 122.641 122.820 0.122 0.000 1.911 284 A HA 0.157 4.477 4.320 -0.000 0.000 0.212 284 A C 2.180 179.834 177.584 0.117 0.000 1.189 284 A CA 1.313 53.408 52.037 0.097 0.000 0.639 284 A CB -0.897 18.146 19.000 0.072 0.000 0.839 284 A HN 1.057 nan 8.150 nan 0.000 0.449 285 V N -2.525 117.487 119.914 0.163 0.000 2.809 285 V HA 0.092 4.212 4.120 -0.000 0.000 0.256 285 V C 2.277 178.498 176.094 0.211 0.000 1.080 285 V CA 1.728 64.156 62.300 0.213 0.000 1.102 285 V CB -0.911 31.088 31.823 0.293 0.000 0.705 285 V HN 0.439 nan 8.190 nan 0.000 0.475 286 A N 0.500 123.449 122.820 0.216 0.000 1.929 286 A HA -0.116 4.203 4.320 -0.000 0.000 0.216 286 A C 2.305 179.891 177.584 0.004 0.000 1.176 286 A CA 1.522 53.593 52.037 0.058 0.000 0.628 286 A CB -0.535 18.548 19.000 0.139 0.000 0.816 286 A HN 0.694 nan 8.150 nan 0.000 0.444 287 E N 0.017 120.250 120.200 0.055 0.000 2.106 287 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 287 E C 2.041 178.660 176.600 0.032 0.000 0.984 287 E CA 0.967 57.389 56.400 0.037 0.000 0.806 287 E CB -0.223 29.507 29.700 0.050 0.000 0.750 287 E HN 0.510 nan 8.360 nan 0.000 0.458 288 A N 0.847 123.698 122.820 0.052 0.000 1.898 288 A HA -0.150 4.170 4.320 -0.000 0.000 0.216 288 A C 2.328 179.939 177.584 0.044 0.000 1.181 288 A CA 1.799 53.869 52.037 0.054 0.000 0.620 288 A CB -0.593 18.455 19.000 0.079 0.000 0.819 288 A HN 0.428 nan 8.150 nan 0.000 0.442 289 S N -2.005 113.718 115.700 0.039 0.000 2.461 289 S HA 0.340 4.810 4.470 -0.000 0.000 0.228 289 S C 1.454 176.034 174.600 -0.034 0.000 1.005 289 S CA 1.170 59.373 58.200 0.005 0.000 0.942 289 S CB -0.252 62.941 63.200 -0.013 0.000 0.776 289 S HN 1.942 nan 8.310 nan 0.000 0.514 290 G N 0.798 109.573 108.800 -0.042 0.000 2.134 290 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.209 290 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.209 290 G C -0.098 174.750 174.900 -0.087 0.000 0.993 290 G CA -0.053 45.019 45.100 -0.047 0.000 0.669 290 G HN 0.543 nan 8.290 nan 0.000 0.519 291 I N 1.513 121.984 120.570 -0.165 0.000 2.396 291 I HA 0.541 4.711 4.170 -0.000 0.000 0.292 291 I C 1.186 177.198 176.117 -0.175 0.000 0.999 291 I CA -0.323 60.816 61.300 -0.268 0.000 1.310 291 I CB 1.503 39.122 38.000 -0.634 0.000 1.404 291 I HN 0.319 nan 8.210 nan 0.000 0.496 292 A N 5.000 127.767 122.820 -0.088 0.000 2.406 292 A HA 0.433 4.753 4.320 -0.000 0.000 0.243 292 A C 0.014 177.626 177.584 0.047 0.000 1.082 292 A CA -0.065 51.993 52.037 0.034 0.000 0.786 292 A CB 0.289 19.393 19.000 0.173 0.000 1.029 292 A HN 0.675 nan 8.150 nan 0.000 0.495 293 S N -0.279 115.492 115.700 0.118 0.000 2.472 293 S HA 0.525 4.995 4.470 -0.000 0.000 0.303 293 S C -0.570 174.143 174.600 0.189 0.000 1.099 293 S CA -0.292 57.998 58.200 0.149 0.000 1.077 293 S CB 0.991 64.259 63.200 0.113 0.000 1.031 293 S HN 0.638 nan 8.310 nan 0.000 0.487 294 Y N 2.502 122.803 120.300 0.002 0.000 3.164 294 Y HA 0.690 5.240 4.550 -0.000 0.000 0.439 294 Y C 0.873 176.629 175.900 -0.240 0.000 1.182 294 Y CA 0.061 58.128 58.100 -0.055 0.000 1.570 294 Y CB -0.009 38.423 38.460 -0.048 0.000 1.411 294 Y HN 0.743 nan 8.280 nan 0.000 0.841 295 G N 0.601 109.036 108.800 -0.608 0.000 3.265 295 G HA2 0.377 4.337 3.960 -0.000 0.000 0.236 295 G HA3 0.377 4.337 3.960 -0.000 0.000 0.236 295 G C -0.390 174.172 174.900 -0.562 0.000 3.888 295 G CA -0.244 44.302 45.100 -0.923 0.000 0.423 295 G HN 0.824 nan 8.290 nan 0.000 0.303 296 G N -0.313 108.398 108.800 -0.148 0.000 2.535 296 G HA2 0.792 4.752 3.960 -0.000 0.000 0.282 296 G HA3 0.792 4.752 3.960 -0.000 0.000 0.282 296 G C -0.141 174.775 174.900 0.025 0.000 1.350 296 G CA 0.295 45.394 45.100 -0.001 0.000 1.039 296 G HN 0.972 nan 8.290 nan 0.000 0.509 297 T N -1.320 113.220 114.554 -0.024 0.000 2.840 297 T HA 0.423 4.773 4.350 -0.000 0.000 0.317 297 T C -0.183 174.410 174.700 -0.178 0.000 1.401 297 T CA -0.650 61.411 62.100 -0.064 0.000 1.028 297 T CB 1.385 70.232 68.868 -0.034 0.000 1.317 297 T HN 0.224 nan 8.240 nan 0.000 0.495 298 M N 3.541 123.021 119.600 -0.200 0.000 2.869 298 M HA 0.336 4.816 4.480 -0.000 0.000 0.338 298 M C 0.192 176.396 176.300 -0.160 0.000 1.227 298 M CA 0.041 55.160 55.300 -0.302 0.000 0.946 298 M CB -0.703 31.716 32.600 -0.302 0.000 1.299 298 M HN 0.677 nan 8.290 nan 0.000 0.518 299 L N 2.246 123.403 121.223 -0.110 0.000 3.739 299 L HA -0.258 4.082 4.340 -0.000 0.000 0.442 299 L C 0.174 177.079 176.870 0.058 0.000 1.241 299 L CA 0.589 55.401 54.840 -0.047 0.000 0.819 299 L CB -1.808 40.207 42.059 -0.073 0.000 1.679 299 L HN 0.519 nan 8.230 nan 0.000 0.889 300 D N -0.665 119.756 120.400 0.035 0.000 2.312 300 D HA 0.407 5.047 4.640 -0.000 0.000 0.248 300 D C 0.822 177.036 176.300 -0.143 0.000 1.086 300 D CA 0.078 54.112 54.000 0.056 0.000 0.948 300 D CB 1.353 42.127 40.800 -0.044 0.000 1.162 300 D HN 0.265 nan 8.370 nan 0.000 0.446 301 S N 0.293 115.710 115.700 -0.472 0.000 2.647 301 S HA -0.051 4.418 4.470 -0.000 0.000 0.251 301 S C 1.671 176.094 174.600 -0.295 0.000 1.320 301 S CA 0.534 58.471 58.200 -0.439 0.000 0.968 301 S CB -0.267 62.525 63.200 -0.679 0.000 1.005 301 S HN 0.714 nan 8.310 nan 0.000 0.576 302 T N -0.553 113.847 114.554 -0.257 0.000 2.777 302 T HA -0.034 4.316 4.350 -0.000 0.000 0.266 302 T C 1.922 176.544 174.700 -0.131 0.000 1.040 302 T CA 1.357 63.346 62.100 -0.186 0.000 1.141 302 T CB -1.012 67.763 68.868 -0.155 0.000 0.868 302 T HN 0.535 nan 8.240 nan 0.000 0.444 303 I N 1.905 122.390 120.570 -0.141 0.000 2.194 303 I HA -0.105 4.065 4.170 -0.000 0.000 0.246 303 I C 2.945 178.974 176.117 -0.147 0.000 1.093 303 I CA 1.564 62.815 61.300 -0.082 0.000 1.355 303 I CB -0.888 37.032 38.000 -0.134 0.000 1.046 303 I HN 0.453 nan 8.210 nan 0.000 0.413 304 G N 0.036 108.721 108.800 -0.192 0.000 2.425 304 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.213 304 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.213 304 G C 1.601 176.409 174.900 -0.153 0.000 1.201 304 G CA 1.052 46.045 45.100 -0.180 0.000 0.799 304 G HN 0.251 nan 8.290 nan 0.000 0.534 305 T N 0.928 115.400 114.554 -0.138 0.000 2.721 305 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 305 T C 2.589 177.232 174.700 -0.095 0.000 1.038 305 T CA 1.764 63.800 62.100 -0.107 0.000 1.145 305 T CB -0.308 68.489 68.868 -0.118 0.000 0.858 305 T HN 0.291 nan 8.240 nan 0.000 0.459 306 S N -0.042 115.611 115.700 -0.077 0.000 2.355 306 S HA -0.076 4.394 4.470 -0.000 0.000 0.222 306 S C 2.157 176.721 174.600 -0.060 0.000 1.031 306 S CA 0.981 59.161 58.200 -0.033 0.000 0.993 306 S CB -0.381 62.847 63.200 0.046 0.000 0.859 306 S HN 0.326 nan 8.310 nan 0.000 0.453 307 V N 2.179 122.028 119.914 -0.108 0.000 2.343 307 V HA -0.111 4.009 4.120 -0.000 0.000 0.247 307 V C 2.816 178.762 176.094 -0.248 0.000 1.051 307 V CA 1.733 63.934 62.300 -0.165 0.000 1.036 307 V CB -1.302 30.384 31.823 -0.228 0.000 0.654 307 V HN 0.585 nan 8.190 nan 0.000 0.451 308 A N -0.486 122.143 122.820 -0.319 0.000 1.933 308 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 308 A C 2.257 179.379 177.584 -0.771 0.000 1.175 308 A CA 1.704 53.362 52.037 -0.632 0.000 0.628 308 A CB -0.516 18.187 19.000 -0.495 0.000 0.814 308 A HN 0.486 nan 8.150 nan 0.000 0.444 309 L N -0.686 120.343 121.223 -0.324 0.000 2.017 309 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 309 L C 2.955 179.759 176.870 -0.110 0.000 1.073 309 L CA 1.306 56.070 54.840 -0.127 0.000 0.745 309 L CB -0.457 41.583 42.059 -0.030 0.000 0.894 309 L HN 0.434 nan 8.230 nan 0.000 0.432 310 Q N -0.497 119.230 119.800 -0.122 0.000 2.077 310 Q HA -0.268 4.072 4.340 -0.000 0.000 0.206 310 Q C 2.195 178.144 176.000 -0.084 0.000 0.989 310 Q CA 1.706 57.463 55.803 -0.078 0.000 0.853 310 Q CB -0.653 28.043 28.738 -0.070 0.000 0.907 310 Q HN 0.404 nan 8.270 nan 0.000 0.418 311 L N -0.393 120.729 121.223 -0.168 0.000 2.072 311 L HA -0.123 4.217 4.340 -0.000 0.000 0.205 311 L C 2.054 178.929 176.870 0.007 0.000 1.079 311 L CA 1.537 56.303 54.840 -0.123 0.000 0.752 311 L CB -0.638 41.300 42.059 -0.202 0.000 0.906 311 L HN 0.037 nan 8.230 nan 0.000 0.436 312 Y N 0.061 120.356 120.300 -0.008 0.000 2.293 312 Y HA -0.116 4.434 4.550 -0.000 0.000 0.291 312 Y C 2.983 178.883 175.900 0.000 0.000 1.137 312 Y CA 0.767 58.864 58.100 -0.005 0.000 1.202 312 Y CB -1.589 36.860 38.460 -0.018 0.000 0.990 312 Y HN 0.483 nan 8.280 nan 0.000 0.537 313 S N -1.011 114.771 115.700 0.136 0.000 2.474 313 S HA -0.131 4.339 4.470 -0.000 0.000 0.235 313 S C 1.770 176.407 174.600 0.061 0.000 0.997 313 S CA 1.265 59.513 58.200 0.080 0.000 0.949 313 S CB -1.026 62.202 63.200 0.046 0.000 0.766 313 S HN 0.570 nan 8.310 nan 0.000 0.517 314 T N -0.927 113.665 114.554 0.063 0.000 3.065 314 T HA 0.298 4.648 4.350 -0.000 0.000 0.252 314 T C 0.532 175.267 174.700 0.059 0.000 1.099 314 T CA -0.175 61.954 62.100 0.048 0.000 1.063 314 T CB -0.476 68.411 68.868 0.032 0.000 0.948 314 T HN 0.167 nan 8.240 nan 0.000 0.506 315 V N 3.966 123.931 119.914 0.085 0.000 2.637 315 V HA 0.149 4.269 4.120 -0.000 0.000 0.296 315 V C -0.943 175.185 176.094 0.056 0.000 1.046 315 V CA -1.320 61.029 62.300 0.082 0.000 1.066 315 V CB 1.109 32.995 31.823 0.104 0.000 0.968 315 V HN 0.213 nan 8.190 nan 0.000 0.483 316 P HA -0.088 nan 4.420 nan 0.000 0.216 316 P C 0.190 177.506 177.300 0.027 0.000 1.150 316 P CA 1.334 64.454 63.100 0.033 0.000 0.843 316 P CB 0.140 31.860 31.700 0.032 0.000 0.787 317 S N -2.208 113.511 115.700 0.031 0.000 2.542 317 S HA 0.469 4.939 4.470 -0.000 0.000 0.276 317 S C -1.262 173.354 174.600 0.027 0.000 1.148 317 S CA -0.897 57.315 58.200 0.020 0.000 0.886 317 S CB 0.430 63.636 63.200 0.011 0.000 1.109 317 S HN -0.106 nan 8.310 nan 0.000 0.458 318 L N 2.581 123.812 121.223 0.013 0.000 2.495 318 L HA 0.401 4.741 4.340 -0.000 0.000 0.248 318 L C -2.176 174.702 176.870 0.013 0.000 1.229 318 L CA -1.939 52.916 54.840 0.025 0.000 0.942 318 L CB 1.294 43.335 42.059 -0.029 0.000 1.242 318 L HN 0.475 nan 8.230 nan 0.000 0.484 319 P HA -0.110 nan 4.420 nan 0.000 0.224 319 P C 0.646 177.674 177.300 -0.453 0.000 1.142 319 P CA 1.431 64.404 63.100 -0.211 0.000 0.778 319 P CB 0.048 31.615 31.700 -0.222 0.000 0.764 320 F N -2.332 117.639 119.950 0.034 0.000 2.729 320 F HA 0.406 4.933 4.527 -0.000 0.000 0.315 320 F C 1.755 177.600 175.800 0.075 0.000 1.102 320 F CA 0.403 58.452 58.000 0.082 0.000 1.204 320 F CB 0.048 39.166 39.000 0.198 0.000 1.052 320 F HN -0.042 nan 8.300 nan 0.000 0.551 321 G N 0.714 109.562 108.800 0.080 0.000 2.528 321 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.262 321 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.262 321 G C -0.068 174.702 174.900 -0.217 0.000 1.200 321 G CA -0.304 44.773 45.100 -0.038 0.000 0.951 321 G HN 0.761 nan 8.290 nan 0.000 0.566 322 C N -2.365 116.788 119.300 -0.245 0.000 3.321 322 C HA 0.956 5.416 4.460 -0.000 0.000 0.363 322 C C 0.102 174.938 174.990 -0.256 0.000 1.705 322 C CA 0.327 59.074 59.018 -0.453 0.000 1.298 322 C CB 1.188 28.777 27.740 -0.253 0.000 2.086 322 C HN 1.534 nan 8.230 nan 0.000 0.438 323 E N 0.243 120.327 120.200 -0.192 0.000 3.918 323 E HA 0.284 4.634 4.350 -0.000 0.000 0.183 323 E C -0.965 175.661 176.600 0.043 0.000 1.021 323 E CA -0.288 56.104 56.400 -0.014 0.000 1.431 323 E CB -0.116 29.597 29.700 0.022 0.000 1.140 323 E HN 0.621 nan 8.360 nan 0.000 0.435 324 L N 2.812 124.088 121.223 0.089 0.000 2.416 324 L HA 0.258 4.598 4.340 -0.000 0.000 0.243 324 L C 1.089 178.070 176.870 0.184 0.000 1.373 324 L CA 0.005 54.911 54.840 0.110 0.000 1.227 324 L CB -0.583 41.548 42.059 0.121 0.000 1.428 324 L HN 0.517 nan 8.230 nan 0.000 0.425 325 I N -3.403 117.278 120.570 0.185 0.000 3.855 325 I HA 0.257 4.427 4.170 -0.000 0.000 0.327 325 I C 1.790 177.977 176.117 0.117 0.000 1.359 325 I CA -0.041 61.455 61.300 0.326 0.000 1.142 325 I CB -0.041 38.127 38.000 0.281 0.000 1.041 325 I HN 0.307 nan 8.210 nan 0.000 0.403 326 G N 3.103 111.894 108.800 -0.015 0.000 2.514 326 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 326 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 326 G C -0.521 174.305 174.900 -0.123 0.000 1.198 326 G CA 1.299 46.359 45.100 -0.066 0.000 0.780 326 G HN 0.412 nan 8.290 nan 0.000 0.565 327 P HA 0.013 nan 4.420 nan 0.000 0.219 327 P C 1.242 178.383 177.300 -0.265 0.000 1.150 327 P CA 0.628 63.498 63.100 -0.384 0.000 0.814 327 P CB -0.110 31.205 31.700 -0.643 0.000 0.787 328 F N -0.709 119.324 119.950 0.138 0.000 2.407 328 F HA -0.056 4.471 4.527 -0.000 0.000 0.299 328 F C 2.053 178.006 175.800 0.256 0.000 1.097 328 F CA 0.640 58.770 58.000 0.217 0.000 1.422 328 F CB -1.577 37.622 39.000 0.331 0.000 1.067 328 F HN -0.150 nan 8.300 nan 0.000 0.539 329 V N -3.193 116.895 119.914 0.290 0.000 3.307 329 V HA 0.173 4.293 4.120 -0.000 0.000 0.253 329 V C 0.930 177.096 176.094 0.120 0.000 1.149 329 V CA -0.031 62.387 62.300 0.198 0.000 1.112 329 V CB -0.573 31.277 31.823 0.046 0.000 0.777 329 V HN 0.002 nan 8.190 nan 0.000 0.464 330 L N 1.435 122.706 121.223 0.080 0.000 2.467 330 L HA 0.575 4.915 4.340 -0.000 0.000 0.270 330 L C 1.502 178.406 176.870 0.056 0.000 1.205 330 L CA 0.926 55.792 54.840 0.043 0.000 0.828 330 L CB 0.986 43.049 42.059 0.007 0.000 1.101 330 L HN 0.215 nan 8.230 nan 0.000 0.479 331 A N 1.715 124.558 122.820 0.038 0.000 2.251 331 A HA 0.188 4.508 4.320 -0.000 0.000 0.209 331 A C 0.383 177.997 177.584 0.050 0.000 1.187 331 A CA 0.419 52.491 52.037 0.057 0.000 0.823 331 A CB -0.382 18.658 19.000 0.067 0.000 0.846 331 A HN 0.761 nan 8.150 nan 0.000 0.486 332 D N -2.250 118.151 120.400 0.002 0.000 2.755 332 D HA 0.271 4.910 4.640 -0.000 0.000 0.277 332 D C -1.011 175.250 176.300 -0.066 0.000 1.261 332 D CA 0.465 54.465 54.000 -0.001 0.000 0.759 332 D CB 1.328 42.157 40.800 0.048 0.000 1.279 332 D HN 0.148 nan 8.370 nan 0.000 0.420 333 T N -1.444 113.079 114.554 -0.052 0.000 2.940 333 T HA 0.683 5.033 4.350 -0.000 0.000 0.288 333 T C 0.650 175.292 174.700 -0.097 0.000 1.045 333 T CA -0.667 61.375 62.100 -0.096 0.000 1.018 333 T CB 1.032 69.849 68.868 -0.085 0.000 1.151 333 T HN 0.297 nan 8.240 nan 0.000 0.529 334 L N 1.416 122.561 121.223 -0.131 0.000 3.110 334 L HA 0.425 4.765 4.340 -0.000 0.000 0.266 334 L C 0.369 177.146 176.870 -0.154 0.000 1.257 334 L CA -0.607 54.162 54.840 -0.118 0.000 1.038 334 L CB -0.246 41.736 42.059 -0.128 0.000 1.395 334 L HN 0.898 nan 8.230 nan 0.000 0.566 335 S N -3.892 111.697 115.700 -0.184 0.000 2.596 335 S HA 0.401 4.871 4.470 -0.000 0.000 0.270 335 S C 0.106 174.551 174.600 -0.258 0.000 1.155 335 S CA -0.755 57.306 58.200 -0.232 0.000 0.827 335 S CB 1.377 64.505 63.200 -0.120 0.000 1.130 335 S HN 0.188 nan 8.310 nan 0.000 0.467 336 H N 0.138 119.197 119.070 -0.018 0.000 2.482 336 H HA 0.290 4.846 4.556 -0.000 0.000 0.286 336 H C -0.203 175.116 175.328 -0.015 0.000 1.017 336 H CA 0.851 56.892 56.048 -0.011 0.000 1.322 336 H CB 0.153 29.908 29.762 -0.011 0.000 1.426 336 H HN 0.580 nan 8.280 nan 0.000 0.546 337 E N 1.349 121.588 120.200 0.065 0.000 2.231 337 E HA 0.278 4.628 4.350 -0.000 0.000 0.277 337 E C -2.438 174.162 176.600 -0.000 0.000 0.999 337 E CA -2.117 54.300 56.400 0.027 0.000 0.827 337 E CB 1.329 31.031 29.700 0.004 0.000 1.101 337 E HN 0.150 nan 8.360 nan 0.000 0.393 338 P HA 0.371 nan 4.420 nan 0.000 0.295 338 P C -1.072 176.249 177.300 0.037 0.000 1.319 338 P CA -0.767 62.344 63.100 0.019 0.000 0.940 338 P CB 1.097 32.830 31.700 0.055 0.000 1.192 339 L N 1.706 122.954 121.223 0.042 0.000 2.275 339 L HA 0.408 4.748 4.340 -0.000 0.000 0.288 339 L C 0.468 177.509 176.870 0.284 0.000 1.046 339 L CA -0.323 54.577 54.840 0.101 0.000 0.805 339 L CB 0.699 42.776 42.059 0.031 0.000 1.193 339 L HN 0.284 nan 8.230 nan 0.000 0.426 340 E N 4.202 124.520 120.200 0.196 0.000 2.171 340 E HA 0.489 4.839 4.350 -0.000 0.000 0.271 340 E C -0.843 175.799 176.600 0.070 0.000 0.916 340 E CA -0.575 55.914 56.400 0.148 0.000 0.774 340 E CB 2.521 32.257 29.700 0.060 0.000 1.128 340 E HN 0.432 nan 8.360 nan 0.000 0.403 341 I N 2.693 123.226 120.570 -0.062 0.000 2.428 341 I HA 0.304 4.474 4.170 -0.000 0.000 0.289 341 I C 0.186 176.201 176.117 -0.169 0.000 1.019 341 I CA -0.305 60.898 61.300 -0.162 0.000 1.351 341 I CB 0.748 38.506 38.000 -0.402 0.000 1.412 341 I HN 0.322 nan 8.210 nan 0.000 0.513 342 R N 4.643 125.055 120.500 -0.146 0.000 2.575 342 R HA 0.215 4.555 4.340 -0.000 0.000 0.292 342 R C -1.543 174.650 176.300 -0.178 0.000 1.246 342 R CA -0.630 55.378 56.100 -0.154 0.000 0.973 342 R CB 0.910 31.154 30.300 -0.093 0.000 1.187 342 R HN 0.611 nan 8.270 nan 0.000 0.478 343 D N 3.072 123.293 120.400 -0.299 0.000 2.800 343 D HA -0.189 4.451 4.640 -0.000 0.000 0.248 343 D C -0.502 175.608 176.300 -0.317 0.000 1.091 343 D CA 1.180 54.934 54.000 -0.410 0.000 0.746 343 D CB -0.872 39.804 40.800 -0.207 0.000 1.062 343 D HN 0.733 nan 8.370 nan 0.000 0.431 344 Y N -2.794 117.424 120.300 -0.137 0.000 4.916 344 Y HA -0.332 4.218 4.550 -0.000 0.000 0.247 344 Y C 0.732 176.567 175.900 -0.108 0.000 0.962 344 Y CA 1.426 59.441 58.100 -0.141 0.000 1.933 344 Y CB -1.961 36.466 38.460 -0.056 0.000 1.451 344 Y HN 0.416 nan 8.280 nan 0.000 0.539 345 E N 0.141 120.342 120.200 0.001 0.000 2.222 345 E HA 0.558 4.908 4.350 -0.000 0.000 0.267 345 E C -0.896 175.703 176.600 -0.000 0.000 0.884 345 E CA -1.440 54.971 56.400 0.018 0.000 0.764 345 E CB 2.104 31.820 29.700 0.025 0.000 1.169 345 E HN 0.020 nan 8.360 nan 0.000 0.413 346 L N 3.453 124.706 121.223 0.051 0.000 2.313 346 L HA 0.103 4.443 4.340 -0.000 0.000 0.282 346 L C -0.387 176.526 176.870 0.071 0.000 1.092 346 L CA -0.014 54.882 54.840 0.093 0.000 0.831 346 L CB 0.531 42.692 42.059 0.170 0.000 1.159 346 L HN 0.392 nan 8.230 nan 0.000 0.442 347 Q N 3.913 123.749 119.800 0.059 0.000 2.327 347 Q HA 0.270 4.610 4.340 -0.000 0.000 0.254 347 Q C -0.570 175.458 176.000 0.046 0.000 0.952 347 Q CA -0.492 55.335 55.803 0.041 0.000 0.884 347 Q CB 1.540 30.293 28.738 0.025 0.000 1.224 347 Q HN 0.470 nan 8.270 nan 0.000 0.422 348 V N 4.533 124.467 119.914 0.033 0.000 2.488 348 V HA 0.126 4.246 4.120 -0.000 0.000 0.277 348 V C -1.778 174.325 176.094 0.014 0.000 1.046 348 V CA -1.214 61.101 62.300 0.025 0.000 0.986 348 V CB 0.553 32.389 31.823 0.021 0.000 0.989 348 V HN 0.660 nan 8.190 nan 0.000 0.475 349 P HA 0.074 nan 4.420 nan 0.000 0.270 349 P C 0.246 177.540 177.300 -0.009 0.000 1.221 349 P CA 0.091 63.189 63.100 -0.003 0.000 0.788 349 P CB 0.224 31.916 31.700 -0.014 0.000 0.904 350 T N -1.841 112.705 114.554 -0.014 0.000 3.316 350 T HA 0.607 4.957 4.350 -0.000 0.000 0.253 350 T C 0.318 175.004 174.700 -0.024 0.000 0.995 350 T CA -0.540 61.551 62.100 -0.015 0.000 1.031 350 T CB -0.497 68.364 68.868 -0.011 0.000 1.125 350 T HN 0.463 nan 8.240 nan 0.000 0.539 351 G N 0.651 109.431 108.800 -0.033 0.000 3.086 351 G HA2 0.663 4.623 3.960 -0.000 0.000 0.282 351 G HA3 0.663 4.623 3.960 -0.000 0.000 0.282 351 G C -0.782 174.092 174.900 -0.043 0.000 1.343 351 G CA -0.457 44.617 45.100 -0.044 0.000 0.895 351 G HN 0.869 nan 8.290 nan 0.000 0.557 352 V N -1.813 118.072 119.914 -0.049 0.000 2.407 352 V HA 0.728 4.848 4.120 -0.000 0.000 0.278 352 V C 0.721 176.788 176.094 -0.046 0.000 1.037 352 V CA 0.020 62.297 62.300 -0.039 0.000 0.900 352 V CB 0.440 32.245 31.823 -0.029 0.000 0.983 352 V HN 2.423 nan 8.190 nan 0.000 0.459 353 G N 5.247 114.037 108.800 -0.015 0.000 2.349 353 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.223 353 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.223 353 G C 0.413 175.355 174.900 0.070 0.000 0.736 353 G CA 1.317 46.447 45.100 0.049 0.000 1.073 353 G HN 3.002 nan 8.290 nan 0.000 0.308 354 H N -1.248 117.783 119.070 -0.065 0.000 2.806 354 H HA -0.156 4.400 4.556 -0.000 0.000 0.303 354 H C 1.749 177.044 175.328 -0.055 0.000 1.089 354 H CA 1.518 57.525 56.048 -0.069 0.000 1.165 354 H CB -1.383 28.327 29.762 -0.086 0.000 1.350 354 H HN 2.250 nan 8.280 nan 0.000 0.373 355 G N 0.668 109.316 108.800 -0.254 0.000 2.044 355 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.247 355 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.247 355 G C -0.060 174.675 174.900 -0.274 0.000 0.755 355 G CA 1.065 46.022 45.100 -0.238 0.000 1.021 355 G HN 0.566 nan 8.290 nan 0.000 0.384 356 M N 0.855 120.170 119.600 -0.475 0.000 2.238 356 M HA 0.252 4.732 4.480 -0.000 0.000 0.278 356 M C 0.010 176.182 176.300 -0.214 0.000 1.040 356 M CA -0.568 54.560 55.300 -0.286 0.000 0.969 356 M CB 2.052 34.530 32.600 -0.203 0.000 1.694 356 M HN 0.362 nan 8.290 nan 0.000 0.472 357 T N 1.521 116.043 114.554 -0.054 0.000 2.758 357 T HA 0.558 4.908 4.350 -0.000 0.000 0.285 357 T C -0.349 174.369 174.700 0.031 0.000 0.981 357 T CA -0.720 61.399 62.100 0.031 0.000 0.965 357 T CB 1.056 69.998 68.868 0.125 0.000 0.927 357 T HN 0.538 nan 8.240 nan 0.000 0.448 358 L N 3.486 124.713 121.223 0.007 0.000 2.540 358 L HA 0.250 4.590 4.340 -0.000 0.000 0.276 358 L C 0.375 177.198 176.870 -0.079 0.000 1.212 358 L CA 0.587 55.404 54.840 -0.039 0.000 0.893 358 L CB 0.106 42.161 42.059 -0.006 0.000 1.138 358 L HN 0.745 nan 8.230 nan 0.000 0.491 359 D N 4.047 124.319 120.400 -0.213 0.000 2.468 359 D HA 0.030 4.670 4.640 -0.000 0.000 0.218 359 D C 0.870 177.136 176.300 -0.056 0.000 1.155 359 D CA -0.163 53.661 54.000 -0.294 0.000 0.924 359 D CB 0.712 41.271 40.800 -0.403 0.000 1.029 359 D HN 0.536 nan 8.370 nan 0.000 0.515 360 E N 2.191 122.408 120.200 0.029 0.000 2.147 360 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 360 E C 1.032 177.660 176.600 0.047 0.000 1.005 360 E CA 1.099 57.531 56.400 0.054 0.000 0.810 360 E CB 0.241 29.987 29.700 0.076 0.000 0.736 360 E HN 0.631 nan 8.360 nan 0.000 0.460 361 D N 0.582 121.010 120.400 0.046 0.000 2.117 361 D HA -0.123 4.517 4.640 -0.000 0.000 0.198 361 D C 1.752 178.074 176.300 0.037 0.000 0.982 361 D CA 0.769 54.792 54.000 0.038 0.000 0.828 361 D CB -0.043 40.786 40.800 0.048 0.000 0.967 361 D HN 0.065 nan 8.370 nan 0.000 0.464 362 K N 0.837 121.265 120.400 0.046 0.000 2.217 362 K HA 0.001 4.320 4.320 -0.000 0.000 0.202 362 K C 2.209 178.929 176.600 0.200 0.000 1.051 362 K CA 0.138 56.502 56.287 0.128 0.000 0.952 362 K CB -0.190 32.364 32.500 0.091 0.000 0.736 362 K HN 0.094 nan 8.250 nan 0.000 0.453 363 V N 1.077 121.058 119.914 0.111 0.000 2.548 363 V HA -0.160 3.960 4.120 -0.000 0.000 0.249 363 V C 2.215 178.380 176.094 0.118 0.000 1.055 363 V CA 1.398 63.770 62.300 0.120 0.000 1.065 363 V CB -0.390 31.475 31.823 0.069 0.000 0.681 363 V HN 0.265 nan 8.190 nan 0.000 0.462 364 R N -0.214 120.326 120.500 0.067 0.000 2.148 364 R HA -0.134 4.206 4.340 -0.000 0.000 0.223 364 R C 2.332 178.616 176.300 -0.025 0.000 1.088 364 R CA 1.113 57.230 56.100 0.027 0.000 0.985 364 R CB -0.238 30.068 30.300 0.011 0.000 0.880 364 R HN 0.557 nan 8.270 nan 0.000 0.451 365 Q N -0.147 119.595 119.800 -0.096 0.000 2.167 365 Q HA -0.159 4.181 4.340 -0.000 0.000 0.202 365 Q C 0.849 176.569 176.000 -0.467 0.000 0.970 365 Q CA 1.518 57.113 55.803 -0.346 0.000 0.855 365 Q CB 0.201 28.587 28.738 -0.587 0.000 0.911 365 Q HN 0.403 nan 8.270 nan 0.000 0.438 366 Y N -0.960 119.352 120.300 0.021 0.000 2.351 366 Y HA 0.352 4.902 4.550 -0.000 0.000 0.291 366 Y C 1.456 177.370 175.900 0.023 0.000 1.153 366 Y CA 0.142 58.256 58.100 0.024 0.000 1.193 366 Y CB -0.521 37.960 38.460 0.036 0.000 1.187 366 Y HN 0.030 nan 8.280 nan 0.000 0.524 367 A N 1.439 124.374 122.820 0.192 0.000 2.331 367 A HA -0.286 4.034 4.320 -0.000 0.000 0.296 367 A C 0.205 177.835 177.584 0.078 0.000 1.392 367 A CA 0.998 53.103 52.037 0.113 0.000 0.901 367 A CB -1.799 17.250 19.000 0.080 0.000 0.997 367 A HN 0.456 nan 8.150 nan 0.000 0.374 368 R N -1.559 118.990 120.500 0.082 0.000 2.787 368 R HA 0.512 4.852 4.340 -0.000 0.000 0.271 368 R C 1.610 177.935 176.300 0.041 0.000 0.993 368 R CA -0.193 55.938 56.100 0.052 0.000 0.993 368 R CB 1.127 31.456 30.300 0.048 0.000 1.155 368 R HN 0.456 nan 8.270 nan 0.000 0.486 369 V N -1.028 118.904 119.914 0.029 0.000 2.255 369 V HA -0.057 4.063 4.120 -0.000 0.000 0.243 369 V C 0.613 176.714 176.094 0.011 0.000 1.038 369 V CA 0.712 63.025 62.300 0.021 0.000 1.008 369 V CB -0.593 31.241 31.823 0.019 0.000 0.645 369 V HN 0.797 nan 8.190 nan 0.000 0.449 370 S N 0.000 115.706 115.700 0.011 0.000 2.498 370 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 370 S CA 0.000 58.203 58.200 0.004 0.000 1.107 370 S CB 0.000 63.202 63.200 0.003 0.000 0.593 370 S HN 0.000 nan 8.310 nan 0.000 0.517