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 2i6u_1_A DATA FIRST_RESID 1 DATA SEQUENCE VIRHFLRDDD LSPAEQAEVL ELAAELKKDP VSRRPLQGPR GVAVIFDKNS DATA SEQUENCE TRTRFSFELG IAQLGGHAVV VDSGSTQLGR DETLQDTAKV LSRYVDAIVW DATA SEQUENCE RTFGQERLDA MASVATVPVI NALSDEFHPC QVLADLQTIA ERKGALRGLR DATA SEQUENCE LSYFGDGANN MAHSLLLGGV TAGIHVTVAA PEGFLPDPSV RAAAERRAQD DATA SEQUENCE TGASVTVTAD AHAAAAGADV LVTDTWTSMG QENDGLDRVK PFRPFQLNSR DATA SEQUENCE LLALADSDAI VLHCLPAHRG DEITDAVMDG PASAVWDEAE NRLHAQKALL DATA SEQUENCE VWLLERS 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 V HA 0.000 nan 4.120 nan 0.000 0.244 1 V C 0.000 176.079 176.094 -0.025 0.000 1.182 1 V CA 0.000 62.292 62.300 -0.013 0.000 1.235 1 V CB 0.000 31.810 31.823 -0.022 0.000 1.184 2 I N -0.501 120.025 120.570 -0.072 0.000 8.587 2 I HA -0.110 4.055 4.170 -0.009 0.000 0.126 2 I C -1.199 174.788 176.117 -0.217 0.000 1.857 2 I CA 0.156 61.364 61.300 -0.154 0.000 2.041 2 I CB -0.019 37.876 38.000 -0.174 0.000 3.855 2 I HN 0.835 nan 8.210 nan 0.000 0.170 3 R N 6.653 127.028 120.500 -0.208 0.000 2.294 3 R HA 0.578 4.913 4.340 -0.009 0.000 0.319 3 R C -0.171 176.024 176.300 -0.175 0.000 0.984 3 R CA -0.628 55.425 56.100 -0.078 0.000 0.861 3 R CB 1.133 31.487 30.300 0.089 0.000 1.104 3 R HN 0.619 nan 8.270 nan 0.000 0.451 4 H N 1.597 120.763 119.070 0.161 0.000 2.525 4 H HA 0.313 4.864 4.556 -0.007 0.000 0.340 4 H C -0.622 174.868 175.328 0.269 0.000 1.168 4 H CA -0.431 55.723 56.048 0.176 0.000 1.247 4 H CB 1.763 31.592 29.762 0.111 0.000 1.568 4 H HN 0.352 nan 8.280 nan 0.000 0.536 5 F N 2.747 122.810 119.950 0.187 0.000 2.550 5 F HA 0.227 4.748 4.527 -0.009 0.000 0.348 5 F C 0.013 175.856 175.800 0.072 0.000 1.219 5 F CA -0.364 57.699 58.000 0.104 0.000 1.203 5 F CB -0.159 38.904 39.000 0.105 0.000 1.436 5 F HN 0.344 nan 8.300 nan 0.000 0.541 6 L N 2.866 124.016 121.223 -0.121 0.000 2.416 6 L HA 0.255 4.590 4.340 -0.009 0.000 0.216 6 L C 0.488 177.110 176.870 -0.415 0.000 1.098 6 L CA 0.297 55.032 54.840 -0.175 0.000 0.840 6 L CB -0.114 41.886 42.059 -0.099 0.000 0.981 6 L HN 0.385 nan 8.230 nan 0.000 0.462 7 R N -2.163 117.920 120.500 -0.695 0.000 2.692 7 R HA 0.246 4.580 4.340 -0.009 0.000 0.269 7 R C -0.726 175.061 176.300 -0.856 0.000 1.030 7 R CA -0.686 54.827 56.100 -0.978 0.000 0.882 7 R CB 0.679 30.107 30.300 -1.454 0.000 1.250 7 R HN -0.257 nan 8.270 nan 0.000 0.465 8 D N 0.659 120.669 120.400 -0.650 0.000 2.182 8 D HA -0.186 4.449 4.640 -0.009 0.000 0.201 8 D C 0.757 176.938 176.300 -0.199 0.000 0.986 8 D CA 1.894 55.677 54.000 -0.362 0.000 0.847 8 D CB -0.036 40.676 40.800 -0.147 0.000 0.942 8 D HN 0.706 nan 8.370 nan 0.000 0.467 9 D N 0.012 120.274 120.400 -0.229 0.000 2.349 9 D HA -0.083 4.552 4.640 -0.009 0.000 0.224 9 D C 0.772 177.019 176.300 -0.089 0.000 1.029 9 D CA 0.191 54.116 54.000 -0.125 0.000 0.879 9 D CB -0.174 40.556 40.800 -0.117 0.000 0.906 9 D HN 0.018 nan 8.370 nan 0.000 0.528 10 D N 0.492 120.827 120.400 -0.110 0.000 2.218 10 D HA -0.015 4.619 4.640 -0.009 0.000 0.204 10 D C 0.663 177.020 176.300 0.096 0.000 0.976 10 D CA 0.488 54.489 54.000 0.002 0.000 0.853 10 D CB 0.169 40.979 40.800 0.016 0.000 0.939 10 D HN 0.330 nan 8.370 nan 0.000 0.481 11 L N 1.177 122.461 121.223 0.102 0.000 2.290 11 L HA 0.151 4.486 4.340 -0.009 0.000 0.284 11 L C 1.029 177.890 176.870 -0.015 0.000 1.078 11 L CA -0.582 54.260 54.840 0.003 0.000 0.815 11 L CB 1.336 43.342 42.059 -0.089 0.000 1.162 11 L HN -0.100 nan 8.230 nan 0.000 0.435 12 S N 3.148 118.844 115.700 -0.006 0.000 2.608 12 S HA 0.260 4.724 4.470 -0.009 0.000 0.261 12 S C -1.830 172.750 174.600 -0.034 0.000 1.314 12 S CA -0.982 57.214 58.200 -0.006 0.000 0.992 12 S CB 0.975 64.190 63.200 0.025 0.000 0.935 12 S HN 0.423 nan 8.310 nan 0.000 0.564 13 P HA 0.046 nan 4.420 nan 0.000 0.217 13 P C 1.473 178.750 177.300 -0.038 0.000 1.150 13 P CA 1.695 64.773 63.100 -0.037 0.000 0.832 13 P CB -0.237 31.447 31.700 -0.027 0.000 0.787 14 A N -0.003 122.807 122.820 -0.016 0.000 1.930 14 A HA -0.206 4.109 4.320 -0.009 0.000 0.217 14 A C 2.119 179.693 177.584 -0.017 0.000 1.175 14 A CA 1.554 53.590 52.037 -0.002 0.000 0.627 14 A CB -1.135 17.881 19.000 0.028 0.000 0.815 14 A HN 0.161 nan 8.150 nan 0.000 0.443 15 E N -0.721 119.458 120.200 -0.035 0.000 2.072 15 E HA -0.227 4.118 4.350 -0.009 0.000 0.191 15 E C 2.241 178.607 176.600 -0.390 0.000 0.985 15 E CA 1.169 57.478 56.400 -0.152 0.000 0.801 15 E CB -0.185 29.423 29.700 -0.153 0.000 0.750 15 E HN 0.764 nan 8.360 nan 0.000 0.452 16 Q N 0.464 120.098 119.800 -0.277 0.000 2.135 16 Q HA -0.202 4.133 4.340 -0.009 0.000 0.204 16 Q C 2.079 177.957 176.000 -0.204 0.000 0.981 16 Q CA 1.470 57.115 55.803 -0.262 0.000 0.856 16 Q CB -0.085 28.567 28.738 -0.143 0.000 0.902 16 Q HN 0.259 nan 8.270 nan 0.000 0.425 17 A N 0.484 123.225 122.820 -0.132 0.000 1.929 17 A HA -0.178 4.136 4.320 -0.009 0.000 0.216 17 A C 1.752 179.289 177.584 -0.079 0.000 1.176 17 A CA 1.311 53.297 52.037 -0.084 0.000 0.628 17 A CB -0.402 18.570 19.000 -0.046 0.000 0.816 17 A HN 0.488 nan 8.150 nan 0.000 0.444 18 E N -0.337 119.812 120.200 -0.084 0.000 2.058 18 E HA -0.162 4.182 4.350 -0.009 0.000 0.194 18 E C 1.984 178.527 176.600 -0.094 0.000 0.997 18 E CA 1.575 57.955 56.400 -0.032 0.000 0.801 18 E CB -0.252 29.496 29.700 0.080 0.000 0.746 18 E HN 0.382 nan 8.360 nan 0.000 0.450 19 V N 1.164 120.898 119.914 -0.299 0.000 2.343 19 V HA -0.258 3.857 4.120 -0.009 0.000 0.247 19 V C 2.254 178.261 176.094 -0.145 0.000 1.051 19 V CA 1.518 63.646 62.300 -0.288 0.000 1.036 19 V CB -0.401 31.129 31.823 -0.488 0.000 0.654 19 V HN 0.268 nan 8.190 nan 0.000 0.451 20 L N -0.157 120.988 121.223 -0.130 0.000 2.156 20 L HA -0.135 4.199 4.340 -0.009 0.000 0.208 20 L C 2.560 179.403 176.870 -0.044 0.000 1.095 20 L CA 1.693 56.488 54.840 -0.076 0.000 0.770 20 L CB -0.567 41.452 42.059 -0.067 0.000 0.914 20 L HN 0.443 nan 8.230 nan 0.000 0.439 21 E N 0.782 120.959 120.200 -0.038 0.000 2.051 21 E HA -0.285 4.059 4.350 -0.009 0.000 0.192 21 E C 2.239 178.835 176.600 -0.007 0.000 0.991 21 E CA 1.302 57.692 56.400 -0.016 0.000 0.799 21 E CB -0.100 29.597 29.700 -0.004 0.000 0.748 21 E HN 0.236 nan 8.360 nan 0.000 0.449 22 L N 1.261 122.486 121.223 0.003 0.000 2.013 22 L HA -0.164 4.171 4.340 -0.009 0.000 0.212 22 L C 2.415 179.288 176.870 0.005 0.000 1.073 22 L CA 2.347 57.198 54.840 0.018 0.000 0.753 22 L CB -1.144 40.946 42.059 0.053 0.000 0.890 22 L HN 0.283 nan 8.230 nan 0.000 0.432 23 A N -0.822 121.994 122.820 -0.007 0.000 1.948 23 A HA -0.220 4.095 4.320 -0.009 0.000 0.220 23 A C 2.414 179.991 177.584 -0.013 0.000 1.177 23 A CA 2.282 54.323 52.037 0.006 0.000 0.636 23 A CB -1.104 17.897 19.000 0.001 0.000 0.815 23 A HN 0.596 nan 8.150 nan 0.000 0.449 24 A N -0.608 122.196 122.820 -0.028 0.000 1.930 24 A HA -0.051 4.264 4.320 -0.009 0.000 0.215 24 A C 1.879 179.426 177.584 -0.062 0.000 1.176 24 A CA 1.315 53.321 52.037 -0.051 0.000 0.632 24 A CB -0.431 18.548 19.000 -0.035 0.000 0.819 24 A HN 0.615 nan 8.150 nan 0.000 0.445 25 E N -0.033 120.146 120.200 -0.035 0.000 2.118 25 E HA -0.156 4.188 4.350 -0.009 0.000 0.195 25 E C 1.787 178.366 176.600 -0.035 0.000 0.992 25 E CA 1.180 57.563 56.400 -0.028 0.000 0.804 25 E CB -0.267 29.429 29.700 -0.006 0.000 0.741 25 E HN 0.599 nan 8.360 nan 0.000 0.458 26 L N 0.693 121.898 121.223 -0.029 0.000 2.240 26 L HA -0.094 4.240 4.340 -0.009 0.000 0.211 26 L C 2.511 179.330 176.870 -0.084 0.000 1.106 26 L CA 0.731 55.563 54.840 -0.013 0.000 0.793 26 L CB -0.144 41.937 42.059 0.037 0.000 0.927 26 L HN 0.034 nan 8.230 nan 0.000 0.446 27 K N 0.597 120.862 120.400 -0.225 0.000 2.148 27 K HA -0.196 4.119 4.320 -0.009 0.000 0.204 27 K C 2.213 178.637 176.600 -0.294 0.000 1.050 27 K CA 1.171 57.108 56.287 -0.583 0.000 0.942 27 K CB 0.152 32.240 32.500 -0.686 0.000 0.724 27 K HN 0.086 nan 8.250 nan 0.000 0.446 28 K N -0.011 120.295 120.400 -0.156 0.000 2.166 28 K HA -0.034 4.281 4.320 -0.009 0.000 0.201 28 K C -0.419 176.151 176.600 -0.051 0.000 1.052 28 K CA 0.900 57.133 56.287 -0.089 0.000 0.969 28 K CB 0.459 32.922 32.500 -0.062 0.000 0.761 28 K HN 0.097 nan 8.250 nan 0.000 0.459 29 D N 1.529 121.907 120.400 -0.038 0.000 2.432 29 D HA 0.158 4.793 4.640 -0.009 0.000 0.265 29 D C -2.227 174.075 176.300 0.004 0.000 1.160 29 D CA -1.558 52.435 54.000 -0.012 0.000 0.911 29 D CB 1.781 42.578 40.800 -0.005 0.000 1.052 29 D HN 0.056 nan 8.370 nan 0.000 0.508 30 P HA -0.086 nan 4.420 nan 0.000 0.226 30 P C 1.260 178.590 177.300 0.050 0.000 1.153 30 P CA 0.579 63.710 63.100 0.051 0.000 0.777 30 P CB 0.355 32.100 31.700 0.075 0.000 0.794 31 V N -3.996 115.939 119.914 0.036 0.000 3.085 31 V HA 0.267 4.382 4.120 -0.009 0.000 0.345 31 V C 1.351 177.462 176.094 0.028 0.000 1.397 31 V CA 0.410 62.731 62.300 0.034 0.000 1.165 31 V CB -0.610 31.233 31.823 0.032 0.000 1.153 31 V HN 0.044 nan 8.190 nan 0.000 0.495 32 S N -0.394 115.321 115.700 0.025 0.000 2.528 32 S HA 0.303 4.768 4.470 -0.009 0.000 0.219 32 S C 0.836 175.449 174.600 0.021 0.000 0.985 32 S CA -0.212 57.999 58.200 0.019 0.000 0.914 32 S CB 0.035 63.243 63.200 0.014 0.000 0.776 32 S HN 0.518 nan 8.310 nan 0.000 0.526 33 R N 1.743 122.259 120.500 0.027 0.000 2.439 33 R HA 0.441 4.776 4.340 -0.009 0.000 0.310 33 R C -0.585 175.734 176.300 0.031 0.000 0.955 33 R CA -0.223 55.894 56.100 0.028 0.000 0.853 33 R CB 1.020 31.340 30.300 0.033 0.000 1.171 33 R HN 0.228 nan 8.270 nan 0.000 0.449 34 R N 3.254 123.770 120.500 0.027 0.000 3.026 34 R HA 0.205 4.540 4.340 -0.009 0.000 0.317 34 R C -1.825 174.492 176.300 0.027 0.000 1.278 34 R CA -1.366 54.752 56.100 0.029 0.000 1.407 34 R CB 1.327 31.642 30.300 0.026 0.000 1.368 34 R HN 0.379 nan 8.270 nan 0.000 0.612 35 P HA -0.048 nan 4.420 nan 0.000 0.229 35 P C 0.863 178.179 177.300 0.027 0.000 1.160 35 P CA 0.673 63.786 63.100 0.022 0.000 0.777 35 P CB 0.430 32.142 31.700 0.020 0.000 0.814 36 L N 0.080 121.325 121.223 0.037 0.000 2.653 36 L HA 0.117 4.452 4.340 -0.009 0.000 0.231 36 L C 1.482 178.379 176.870 0.044 0.000 1.153 36 L CA -0.378 54.488 54.840 0.044 0.000 0.933 36 L CB -0.559 41.534 42.059 0.057 0.000 1.175 36 L HN 0.069 nan 8.230 nan 0.000 0.473 37 Q N 0.251 120.073 119.800 0.036 0.000 2.369 37 Q HA 0.188 4.523 4.340 -0.009 0.000 0.295 37 Q C 0.592 176.611 176.000 0.032 0.000 1.075 37 Q CA 1.109 56.932 55.803 0.034 0.000 0.941 37 Q CB 0.894 29.647 28.738 0.026 0.000 1.260 37 Q HN 0.241 nan 8.270 nan 0.000 0.417 38 G N 2.587 111.405 108.800 0.031 0.000 4.278 38 G HA2 -0.070 3.885 3.960 -0.009 0.000 0.160 38 G HA3 -0.070 3.885 3.960 -0.009 0.000 0.160 38 G C -2.157 172.758 174.900 0.024 0.000 2.002 38 G CA -0.041 45.075 45.100 0.026 0.000 1.013 38 G HN 0.784 nan 8.290 nan 0.000 0.315 39 P HA 0.637 nan 4.420 nan 0.000 0.284 39 P C -0.668 176.666 177.300 0.057 0.000 1.253 39 P CA -0.334 62.800 63.100 0.057 0.000 0.800 39 P CB 1.227 32.983 31.700 0.093 0.000 0.961 40 R N 0.739 121.276 120.500 0.062 0.000 2.528 40 R HA 0.582 4.917 4.340 -0.009 0.000 0.271 40 R C 0.714 177.066 176.300 0.087 0.000 1.056 40 R CA -0.436 55.701 56.100 0.062 0.000 1.117 40 R CB 0.625 30.955 30.300 0.051 0.000 1.085 40 R HN 0.691 nan 8.270 nan 0.000 0.530 41 G N -0.294 108.559 108.800 0.089 0.000 2.488 41 G HA2 0.516 4.471 3.960 -0.009 0.000 0.318 41 G HA3 0.516 4.471 3.960 -0.009 0.000 0.318 41 G C -1.043 173.906 174.900 0.081 0.000 1.188 41 G CA -0.448 44.715 45.100 0.106 0.000 0.944 41 G HN 0.266 nan 8.290 nan 0.000 0.495 42 V N 0.068 120.024 119.914 0.069 0.000 2.733 42 V HA 0.613 4.727 4.120 -0.009 0.000 0.306 42 V C 0.266 176.369 176.094 0.014 0.000 1.084 42 V CA -0.888 61.437 62.300 0.040 0.000 0.905 42 V CB 1.541 33.389 31.823 0.041 0.000 1.010 42 V HN 1.183 nan 8.190 nan 0.000 0.424 43 A N 4.266 127.082 122.820 -0.007 0.000 2.409 43 A HA 0.703 5.018 4.320 -0.009 0.000 0.262 43 A C -0.423 177.104 177.584 -0.096 0.000 1.113 43 A CA -0.199 51.814 52.037 -0.039 0.000 0.790 43 A CB 0.573 19.541 19.000 -0.054 0.000 1.046 43 A HN 0.898 nan 8.150 nan 0.000 0.496 44 V N 4.868 124.727 119.914 -0.092 0.000 2.357 44 V HA 0.327 4.442 4.120 -0.009 0.000 0.281 44 V C -0.459 175.544 176.094 -0.151 0.000 1.015 44 V CA -0.002 62.202 62.300 -0.161 0.000 0.827 44 V CB 0.634 32.418 31.823 -0.065 0.000 1.018 44 V HN 0.723 nan 8.190 nan 0.000 0.432 45 I N 4.715 125.130 120.570 -0.258 0.000 2.378 45 I HA 0.532 4.697 4.170 -0.009 0.000 0.291 45 I C -0.887 175.084 176.117 -0.242 0.000 0.992 45 I CA -0.331 60.874 61.300 -0.158 0.000 1.154 45 I CB 1.681 39.520 38.000 -0.269 0.000 1.315 45 I HN 0.349 nan 8.210 nan 0.000 0.448 46 F N 3.983 124.041 119.950 0.180 0.000 2.426 46 F HA 0.312 4.834 4.527 -0.008 0.000 0.348 46 F C 0.786 176.720 175.800 0.222 0.000 1.124 46 F CA -0.397 57.714 58.000 0.186 0.000 1.008 46 F CB 1.305 40.371 39.000 0.110 0.000 1.139 46 F HN 0.436 nan 8.300 nan 0.000 0.452 47 D N 1.507 122.131 120.400 0.373 0.000 2.367 47 D HA 0.101 4.735 4.640 -0.009 0.000 0.207 47 D C 0.109 176.597 176.300 0.314 0.000 1.034 47 D CA 0.792 55.015 54.000 0.373 0.000 0.861 47 D CB 0.380 41.441 40.800 0.434 0.000 0.943 47 D HN 0.410 nan 8.370 nan 0.000 0.515 48 K N 0.214 120.752 120.400 0.229 0.000 2.443 48 K HA 0.323 4.638 4.320 -0.009 0.000 0.251 48 K C -0.295 176.397 176.600 0.153 0.000 0.972 48 K CA -0.823 55.531 56.287 0.112 0.000 0.833 48 K CB 2.225 34.666 32.500 -0.099 0.000 1.317 48 K HN -0.160 nan 8.250 nan 0.000 0.441 49 N N 0.916 119.657 118.700 0.069 0.000 2.329 49 N HA -0.020 4.715 4.740 -0.009 0.000 0.237 49 N C -0.561 174.945 175.510 -0.006 0.000 1.258 49 N CA 0.804 53.862 53.050 0.013 0.000 0.866 49 N CB 0.839 39.333 38.487 0.011 0.000 1.102 49 N HN 0.394 nan 8.380 nan 0.000 0.440 50 S N -0.461 115.175 115.700 -0.107 0.000 2.560 50 S HA 0.300 4.764 4.470 -0.009 0.000 0.283 50 S C -0.013 174.554 174.600 -0.054 0.000 1.141 50 S CA -0.671 57.482 58.200 -0.078 0.000 0.902 50 S CB 1.333 64.440 63.200 -0.155 0.000 1.104 50 S HN 0.508 nan 8.310 nan 0.000 0.454 51 T N 4.056 118.643 114.554 0.054 0.000 3.087 51 T HA 0.199 4.543 4.350 -0.009 0.000 0.237 51 T C 1.768 176.588 174.700 0.200 0.000 0.990 51 T CA 0.160 62.335 62.100 0.125 0.000 1.160 51 T CB -0.194 68.694 68.868 0.032 0.000 0.923 51 T HN 0.533 nan 8.240 nan 0.000 0.442 52 R N 1.032 121.619 120.500 0.146 0.000 2.073 52 R HA 0.037 4.371 4.340 -0.009 0.000 0.229 52 R C 2.613 179.056 176.300 0.238 0.000 1.120 52 R CA 1.573 57.765 56.100 0.154 0.000 0.967 52 R CB -0.536 29.836 30.300 0.121 0.000 0.862 52 R HN 0.230 nan 8.270 nan 0.000 0.436 53 T N 0.415 115.151 114.554 0.303 0.000 2.821 53 T HA -0.141 4.204 4.350 -0.009 0.000 0.267 53 T C 1.665 176.699 174.700 0.557 0.000 1.046 53 T CA 1.481 63.855 62.100 0.458 0.000 1.139 53 T CB -0.147 69.067 68.868 0.577 0.000 0.871 53 T HN 0.173 nan 8.240 nan 0.000 0.454 54 R N 0.740 121.478 120.500 0.397 0.000 2.070 54 R HA -0.014 4.320 4.340 -0.009 0.000 0.232 54 R C 1.888 178.318 176.300 0.216 0.000 1.138 54 R CA 1.729 57.974 56.100 0.242 0.000 0.936 54 R CB -0.930 29.301 30.300 -0.115 0.000 0.839 54 R HN 0.337 nan 8.270 nan 0.000 0.429 55 F N 0.792 120.796 119.950 0.091 0.000 2.206 55 F HA -0.079 4.443 4.527 -0.008 0.000 0.298 55 F C 2.674 178.507 175.800 0.055 0.000 1.090 55 F CA 1.614 59.647 58.000 0.056 0.000 1.323 55 F CB -0.375 38.636 39.000 0.020 0.000 1.028 55 F HN 0.259 nan 8.300 nan 0.000 0.492 56 S N -0.320 115.525 115.700 0.242 0.000 2.345 56 S HA -0.181 4.284 4.470 -0.009 0.000 0.219 56 S C 2.009 176.624 174.600 0.024 0.000 1.031 56 S CA 0.847 59.083 58.200 0.060 0.000 0.984 56 S CB -1.245 61.928 63.200 -0.045 0.000 0.874 56 S HN 0.175 nan 8.310 nan 0.000 0.451 57 F N 2.347 122.375 119.950 0.130 0.000 2.102 57 F HA 0.043 4.564 4.527 -0.010 0.000 0.298 57 F C 2.803 178.639 175.800 0.060 0.000 1.105 57 F CA 1.519 59.581 58.000 0.104 0.000 1.239 57 F CB -0.648 38.435 39.000 0.138 0.000 0.991 57 F HN 0.331 nan 8.300 nan 0.000 0.474 58 E N 0.217 120.559 120.200 0.237 0.000 2.051 58 E HA -0.212 4.133 4.350 -0.009 0.000 0.192 58 E C 2.357 178.980 176.600 0.038 0.000 0.991 58 E CA 1.170 57.619 56.400 0.081 0.000 0.799 58 E CB -0.302 29.385 29.700 -0.022 0.000 0.748 58 E HN 0.363 nan 8.360 nan 0.000 0.449 59 L N -0.070 121.183 121.223 0.050 0.000 2.093 59 L HA -0.085 4.250 4.340 -0.009 0.000 0.208 59 L C 2.503 179.400 176.870 0.044 0.000 1.085 59 L CA 1.147 56.013 54.840 0.042 0.000 0.755 59 L CB -0.450 41.649 42.059 0.066 0.000 0.904 59 L HN 0.302 nan 8.230 nan 0.000 0.435 60 G N 0.093 108.922 108.800 0.047 0.000 2.404 60 G HA2 -0.230 3.725 3.960 -0.009 0.000 0.215 60 G HA3 -0.230 3.725 3.960 -0.009 0.000 0.215 60 G C 1.536 176.478 174.900 0.069 0.000 1.174 60 G CA 0.650 45.772 45.100 0.037 0.000 0.780 60 G HN 0.271 nan 8.290 nan 0.000 0.537 61 I N 1.661 122.295 120.570 0.107 0.000 2.151 61 I HA -0.268 3.897 4.170 -0.009 0.000 0.243 61 I C 3.288 179.437 176.117 0.053 0.000 1.080 61 I CA 1.281 62.636 61.300 0.092 0.000 1.339 61 I CB -0.200 37.857 38.000 0.096 0.000 1.039 61 I HN 0.242 nan 8.210 nan 0.000 0.409 62 A N -0.128 122.710 122.820 0.030 0.000 1.933 62 A HA -0.263 4.051 4.320 -0.009 0.000 0.218 62 A C 2.238 179.847 177.584 0.042 0.000 1.175 62 A CA 1.642 53.695 52.037 0.026 0.000 0.628 62 A CB -0.613 18.393 19.000 0.010 0.000 0.814 62 A HN 0.520 nan 8.150 nan 0.000 0.444 63 Q N -0.580 119.247 119.800 0.045 0.000 2.369 63 Q HA 0.094 4.429 4.340 -0.009 0.000 0.206 63 Q C 1.341 177.370 176.000 0.049 0.000 0.963 63 Q CA 0.608 56.440 55.803 0.047 0.000 0.894 63 Q CB -0.175 28.593 28.738 0.051 0.000 0.965 63 Q HN 0.656 nan 8.270 nan 0.000 0.475 64 L N -0.775 120.480 121.223 0.053 0.000 2.627 64 L HA 0.151 4.486 4.340 -0.009 0.000 0.233 64 L C 1.085 177.985 176.870 0.049 0.000 1.144 64 L CA 0.426 55.297 54.840 0.052 0.000 0.892 64 L CB -0.149 41.946 42.059 0.061 0.000 1.039 64 L HN 0.404 nan 8.230 nan 0.000 0.442 65 G N -0.315 108.514 108.800 0.050 0.000 2.176 65 G HA2 -0.226 3.729 3.960 -0.009 0.000 0.253 65 G HA3 -0.226 3.729 3.960 -0.009 0.000 0.253 65 G C 0.522 175.459 174.900 0.062 0.000 0.979 65 G CA -0.089 45.042 45.100 0.050 0.000 0.641 65 G HN 0.520 nan 8.290 nan 0.000 0.530 66 G N -1.247 107.594 108.800 0.068 0.000 2.583 66 G HA2 0.607 4.562 3.960 -0.009 0.000 0.280 66 G HA3 0.607 4.562 3.960 -0.009 0.000 0.280 66 G C -0.687 174.279 174.900 0.111 0.000 1.376 66 G CA -0.096 45.056 45.100 0.087 0.000 1.043 66 G HN 0.908 nan 8.290 nan 0.000 0.538 67 H N -1.242 117.849 119.070 0.035 0.000 2.924 67 H HA 0.602 5.152 4.556 -0.010 0.000 0.333 67 H C -0.239 175.108 175.328 0.032 0.000 0.979 67 H CA -0.246 55.819 56.048 0.028 0.000 1.326 67 H CB 1.188 30.959 29.762 0.014 0.000 1.600 67 H HN 0.628 nan 8.280 nan 0.000 0.520 68 A N 4.536 127.112 122.820 -0.406 0.000 2.320 68 A HA 0.477 4.792 4.320 -0.009 0.000 0.287 68 A C -0.581 176.905 177.584 -0.163 0.000 1.181 68 A CA -0.606 51.323 52.037 -0.181 0.000 0.831 68 A CB 0.437 19.378 19.000 -0.099 0.000 1.102 68 A HN 0.513 nan 8.150 nan 0.000 0.513 69 V N 4.505 124.425 119.914 0.009 0.000 2.334 69 V HA 0.246 4.361 4.120 -0.009 0.000 0.267 69 V C -0.167 175.941 176.094 0.023 0.000 1.040 69 V CA -0.255 62.073 62.300 0.048 0.000 0.866 69 V CB 0.891 32.751 31.823 0.061 0.000 1.019 69 V HN 0.584 nan 8.190 nan 0.000 0.468 70 V N 6.604 126.538 119.914 0.033 0.000 2.347 70 V HA 0.579 4.694 4.120 -0.009 0.000 0.280 70 V C -0.145 176.006 176.094 0.095 0.000 1.021 70 V CA -0.505 61.845 62.300 0.084 0.000 0.847 70 V CB 1.595 33.474 31.823 0.093 0.000 0.990 70 V HN 0.672 nan 8.190 nan 0.000 0.444 71 V N 0.894 120.883 119.914 0.124 0.000 2.709 71 V HA 0.618 4.733 4.120 -0.009 0.000 0.308 71 V C -0.858 175.346 176.094 0.183 0.000 1.062 71 V CA -1.030 61.336 62.300 0.109 0.000 0.901 71 V CB 2.082 33.932 31.823 0.045 0.000 1.003 71 V HN 0.629 nan 8.190 nan 0.000 0.425 72 D N 2.711 123.208 120.400 0.162 0.000 2.383 72 D HA 0.215 4.850 4.640 -0.009 0.000 0.252 72 D C 1.503 177.883 176.300 0.134 0.000 1.166 72 D CA 0.672 54.785 54.000 0.188 0.000 0.879 72 D CB 1.880 42.764 40.800 0.140 0.000 1.164 72 D HN 0.885 nan 8.370 nan 0.000 0.462 73 S N 1.346 117.139 115.700 0.156 0.000 2.465 73 S HA -0.124 4.340 4.470 -0.009 0.000 0.241 73 S C 1.966 176.614 174.600 0.081 0.000 1.000 73 S CA 0.772 59.031 58.200 0.098 0.000 0.964 73 S CB -0.293 62.998 63.200 0.151 0.000 0.763 73 S HN 0.533 nan 8.310 nan 0.000 0.512 74 G N 0.836 109.694 108.800 0.097 0.000 2.471 74 G HA2 -0.042 3.913 3.960 -0.009 0.000 0.219 74 G HA3 -0.042 3.913 3.960 -0.009 0.000 0.219 74 G C 1.406 176.334 174.900 0.048 0.000 1.125 74 G CA 0.746 45.889 45.100 0.072 0.000 0.775 74 G HN 0.617 nan 8.290 nan 0.000 0.548 75 S N -0.318 115.409 115.700 0.045 0.000 2.528 75 S HA 0.081 4.546 4.470 -0.009 0.000 0.219 75 S C 1.562 176.172 174.600 0.016 0.000 0.985 75 S CA 0.667 58.885 58.200 0.029 0.000 0.914 75 S CB 0.130 63.349 63.200 0.031 0.000 0.776 75 S HN 0.662 nan 8.310 nan 0.000 0.526 76 T N -0.108 114.453 114.554 0.012 0.000 2.814 76 T HA 0.245 4.590 4.350 -0.009 0.000 0.284 76 T C 0.851 175.549 174.700 -0.003 0.000 0.998 76 T CA -0.541 61.556 62.100 -0.005 0.000 0.935 76 T CB 0.450 69.301 68.868 -0.028 0.000 1.167 76 T HN -0.150 nan 8.240 nan 0.000 0.545 77 Q N -0.207 119.586 119.800 -0.011 0.000 2.472 77 Q HA 0.177 4.512 4.340 -0.009 0.000 0.208 77 Q C 2.169 178.164 176.000 -0.008 0.000 0.958 77 Q CA 0.337 56.137 55.803 -0.006 0.000 0.932 77 Q CB -0.583 28.152 28.738 -0.006 0.000 1.007 77 Q HN 0.667 nan 8.270 nan 0.000 0.508 78 L N -0.357 120.856 121.223 -0.018 0.000 2.127 78 L HA -0.159 4.176 4.340 -0.009 0.000 0.211 78 L C 2.154 179.034 176.870 0.018 0.000 1.089 78 L CA 1.328 56.163 54.840 -0.007 0.000 0.757 78 L CB -0.725 41.321 42.059 -0.022 0.000 0.899 78 L HN 0.258 nan 8.230 nan 0.000 0.434 79 G N -0.726 108.086 108.800 0.020 0.000 2.509 79 G HA2 -0.186 3.768 3.960 -0.009 0.000 0.218 79 G HA3 -0.186 3.768 3.960 -0.009 0.000 0.218 79 G C 1.574 176.484 174.900 0.017 0.000 1.124 79 G CA 0.175 45.291 45.100 0.026 0.000 0.776 79 G HN 0.312 nan 8.290 nan 0.000 0.547 80 R N -0.192 120.314 120.500 0.011 0.000 2.629 80 R HA 0.154 4.488 4.340 -0.009 0.000 0.386 80 R C -0.114 176.190 176.300 0.006 0.000 1.071 80 R CA -0.053 56.052 56.100 0.008 0.000 1.104 80 R CB 0.606 30.910 30.300 0.006 0.000 1.370 80 R HN 0.053 nan 8.270 nan 0.000 0.574 81 D N 0.734 121.139 120.400 0.008 0.000 3.068 81 D HA -0.188 4.447 4.640 -0.009 0.000 0.218 81 D C -0.223 176.080 176.300 0.005 0.000 1.145 81 D CA 0.977 54.982 54.000 0.009 0.000 0.896 81 D CB -0.880 39.924 40.800 0.007 0.000 1.105 81 D HN 0.471 nan 8.370 nan 0.000 0.423 82 E N 1.234 121.434 120.200 -0.001 0.000 2.414 82 E HA 0.154 4.499 4.350 -0.009 0.000 0.263 82 E C 0.694 177.290 176.600 -0.006 0.000 1.000 82 E CA 0.275 56.671 56.400 -0.007 0.000 0.914 82 E CB 0.651 30.342 29.700 -0.015 0.000 0.948 82 E HN 0.263 nan 8.360 nan 0.000 0.444 83 T N 1.628 116.180 114.554 -0.004 0.000 2.903 83 T HA 0.006 4.351 4.350 -0.009 0.000 0.314 83 T C 1.522 176.217 174.700 -0.008 0.000 1.078 83 T CA -0.342 61.760 62.100 0.003 0.000 1.114 83 T CB 0.503 69.374 68.868 0.004 0.000 0.987 83 T HN 0.537 nan 8.240 nan 0.000 0.548 84 L N 0.951 122.181 121.223 0.012 0.000 2.093 84 L HA -0.101 4.234 4.340 -0.009 0.000 0.208 84 L C 3.057 179.916 176.870 -0.018 0.000 1.085 84 L CA 1.137 55.975 54.840 -0.004 0.000 0.755 84 L CB -0.731 41.386 42.059 0.096 0.000 0.904 84 L HN 0.650 nan 8.230 nan 0.000 0.435 85 Q N 0.114 119.915 119.800 0.001 0.000 2.124 85 Q HA -0.178 4.157 4.340 -0.009 0.000 0.202 85 Q C 1.881 177.867 176.000 -0.023 0.000 0.977 85 Q CA 1.452 57.251 55.803 -0.006 0.000 0.850 85 Q CB -0.246 28.492 28.738 0.001 0.000 0.901 85 Q HN 0.387 nan 8.270 nan 0.000 0.429 86 D N -0.530 119.856 120.400 -0.024 0.000 2.097 86 D HA -0.108 4.527 4.640 -0.009 0.000 0.195 86 D C 1.769 178.041 176.300 -0.047 0.000 0.989 86 D CA 1.662 55.643 54.000 -0.032 0.000 0.827 86 D CB -0.385 40.401 40.800 -0.024 0.000 0.966 86 D HN 0.227 nan 8.370 nan 0.000 0.456 87 T N 0.806 115.324 114.554 -0.060 0.000 2.720 87 T HA -0.144 4.201 4.350 -0.009 0.000 0.268 87 T C 2.001 176.645 174.700 -0.094 0.000 1.037 87 T CA 1.609 63.657 62.100 -0.087 0.000 1.144 87 T CB -0.284 68.497 68.868 -0.145 0.000 0.864 87 T HN 0.202 nan 8.240 nan 0.000 0.444 88 A N 1.536 124.304 122.820 -0.087 0.000 1.898 88 A HA -0.056 4.259 4.320 -0.009 0.000 0.216 88 A C 2.283 179.833 177.584 -0.055 0.000 1.181 88 A CA 1.514 53.511 52.037 -0.068 0.000 0.620 88 A CB -0.431 18.547 19.000 -0.036 0.000 0.819 88 A HN 0.424 nan 8.150 nan 0.000 0.442 89 K N -0.504 119.863 120.400 -0.054 0.000 2.097 89 K HA -0.065 4.250 4.320 -0.009 0.000 0.206 89 K C 1.868 178.403 176.600 -0.108 0.000 1.049 89 K CA 1.371 57.620 56.287 -0.063 0.000 0.933 89 K CB -0.283 32.185 32.500 -0.052 0.000 0.717 89 K HN 0.295 nan 8.250 nan 0.000 0.442 90 V N 1.579 121.424 119.914 -0.115 0.000 2.244 90 V HA -0.236 3.878 4.120 -0.009 0.000 0.244 90 V C 2.139 178.079 176.094 -0.257 0.000 1.042 90 V CA 1.587 63.773 62.300 -0.191 0.000 1.006 90 V CB -0.412 31.354 31.823 -0.095 0.000 0.641 90 V HN 0.290 nan 8.190 nan 0.000 0.446 91 L N 0.197 121.368 121.223 -0.086 0.000 2.103 91 L HA -0.259 4.076 4.340 -0.009 0.000 0.215 91 L C 2.496 179.334 176.870 -0.054 0.000 1.080 91 L CA 1.819 56.657 54.840 -0.002 0.000 0.764 91 L CB -0.805 41.251 42.059 -0.005 0.000 0.890 91 L HN 0.330 nan 8.230 nan 0.000 0.435 92 S N -0.823 114.824 115.700 -0.089 0.000 2.442 92 S HA -0.078 4.387 4.470 -0.009 0.000 0.236 92 S C 1.922 176.461 174.600 -0.102 0.000 1.007 92 S CA 0.772 58.933 58.200 -0.064 0.000 0.965 92 S CB -0.140 63.032 63.200 -0.047 0.000 0.773 92 S HN 0.347 nan 8.310 nan 0.000 0.504 93 R N -0.200 120.159 120.500 -0.235 0.000 2.200 93 R HA 0.149 4.483 4.340 -0.009 0.000 0.208 93 R C 1.039 177.223 176.300 -0.194 0.000 1.033 93 R CA 0.810 56.737 56.100 -0.288 0.000 1.000 93 R CB -0.429 29.582 30.300 -0.483 0.000 0.906 93 R HN 0.489 nan 8.270 nan 0.000 0.462 94 Y N -0.563 119.733 120.300 -0.008 0.000 2.506 94 Y HA 0.131 4.676 4.550 -0.008 0.000 0.287 94 Y C 1.297 177.199 175.900 0.002 0.000 1.147 94 Y CA -0.635 57.462 58.100 -0.005 0.000 1.241 94 Y CB -0.255 38.200 38.460 -0.009 0.000 1.279 94 Y HN -0.244 nan 8.280 nan 0.000 0.527 95 V N -2.099 117.912 119.914 0.162 0.000 3.096 95 V HA 0.500 4.614 4.120 -0.009 0.000 0.319 95 V C -0.136 175.994 176.094 0.059 0.000 1.103 95 V CA -0.724 61.636 62.300 0.099 0.000 1.016 95 V CB 1.924 33.798 31.823 0.086 0.000 1.090 95 V HN -0.058 nan 8.190 nan 0.000 0.449 96 D N 0.978 121.409 120.400 0.052 0.000 2.360 96 D HA 0.608 5.242 4.640 -0.009 0.000 0.210 96 D C 0.415 176.737 176.300 0.037 0.000 1.047 96 D CA 1.349 55.371 54.000 0.038 0.000 0.854 96 D CB 0.948 41.770 40.800 0.036 0.000 0.936 96 D HN 1.078 nan 8.370 nan 0.000 0.514 97 A N -0.129 122.716 122.820 0.042 0.000 2.597 97 A HA 0.625 4.939 4.320 -0.009 0.000 0.292 97 A C -1.669 175.933 177.584 0.031 0.000 1.057 97 A CA -0.639 51.426 52.037 0.047 0.000 0.674 97 A CB 0.853 19.888 19.000 0.058 0.000 1.278 97 A HN 0.009 nan 8.150 nan 0.000 0.416 98 I N 1.498 122.092 120.570 0.039 0.000 2.411 98 I HA 0.409 4.573 4.170 -0.009 0.000 0.284 98 I C -0.753 175.365 176.117 0.002 0.000 1.012 98 I CA -0.788 60.516 61.300 0.007 0.000 1.119 98 I CB 1.886 39.898 38.000 0.019 0.000 1.261 98 I HN 0.345 nan 8.210 nan 0.000 0.448 99 V N 5.938 125.789 119.914 -0.105 0.000 2.383 99 V HA 0.321 4.436 4.120 -0.009 0.000 0.275 99 V C -0.986 175.036 176.094 -0.121 0.000 1.036 99 V CA -0.411 61.757 62.300 -0.221 0.000 0.889 99 V CB 1.260 32.702 31.823 -0.634 0.000 0.985 99 V HN 0.633 nan 8.190 nan 0.000 0.459 100 W N 6.345 127.480 121.300 -0.275 0.000 2.756 100 W HA 0.569 5.224 4.660 -0.009 0.000 0.333 100 W C -0.398 175.973 176.519 -0.246 0.000 1.025 100 W CA -1.652 55.535 57.345 -0.264 0.000 1.246 100 W CB 1.493 30.870 29.460 -0.139 0.000 1.358 100 W HN 0.528 nan 8.180 nan 0.000 0.444 101 R N 4.049 124.411 120.500 -0.231 0.000 2.248 101 R HA 0.511 4.845 4.340 -0.009 0.000 0.328 101 R C 0.037 176.093 176.300 -0.407 0.000 1.067 101 R CA 0.676 56.595 56.100 -0.302 0.000 0.924 101 R CB 1.002 31.179 30.300 -0.206 0.000 1.013 101 R HN 0.510 nan 8.270 nan 0.000 0.454 102 T N 2.216 116.419 114.554 -0.585 0.000 2.565 102 T HA 0.472 4.817 4.350 -0.009 0.000 0.266 102 T C -0.433 174.019 174.700 -0.413 0.000 0.905 102 T CA -0.546 61.214 62.100 -0.568 0.000 1.122 102 T CB 0.306 68.422 68.868 -1.253 0.000 1.437 102 T HN 0.297 nan 8.240 nan 0.000 0.506 103 F N 0.602 120.381 119.950 -0.286 0.000 2.418 103 F HA 0.603 5.124 4.527 -0.009 0.000 0.185 103 F C 1.835 177.527 175.800 -0.179 0.000 1.209 103 F CA 0.216 58.115 58.000 -0.168 0.000 1.116 103 F CB -0.730 38.215 39.000 -0.093 0.000 1.557 103 F HN 0.666 nan 8.300 nan 0.000 0.524 104 G N 0.365 109.229 108.800 0.108 0.000 2.368 104 G HA2 0.001 3.956 3.960 -0.009 0.000 0.233 104 G HA3 0.001 3.956 3.960 -0.009 0.000 0.233 104 G C 0.444 175.308 174.900 -0.061 0.000 1.267 104 G CA -0.133 44.972 45.100 0.008 0.000 0.873 104 G HN 0.442 nan 8.290 nan 0.000 0.539 105 Q N 0.703 120.478 119.800 -0.043 0.000 2.170 105 Q HA -0.162 4.173 4.340 -0.009 0.000 0.203 105 Q C 2.490 178.479 176.000 -0.019 0.000 0.976 105 Q CA 2.137 57.929 55.803 -0.019 0.000 0.858 105 Q CB -0.051 28.724 28.738 0.062 0.000 0.907 105 Q HN 0.832 nan 8.270 nan 0.000 0.433 106 E N 0.026 120.221 120.200 -0.009 0.000 2.265 106 E HA -0.225 4.120 4.350 -0.009 0.000 0.196 106 E C 1.564 178.174 176.600 0.016 0.000 0.996 106 E CA 1.008 57.411 56.400 0.006 0.000 0.832 106 E CB -0.226 29.480 29.700 0.011 0.000 0.756 106 E HN 0.442 nan 8.360 nan 0.000 0.491 107 R N 0.366 120.859 120.500 -0.011 0.000 2.092 107 R HA 0.068 4.403 4.340 -0.009 0.000 0.231 107 R C 2.700 179.065 176.300 0.110 0.000 1.119 107 R CA 1.170 57.298 56.100 0.046 0.000 0.970 107 R CB -0.328 29.935 30.300 -0.062 0.000 0.864 107 R HN 0.163 nan 8.270 nan 0.000 0.440 108 L N 0.623 121.820 121.223 -0.043 0.000 2.056 108 L HA -0.168 4.167 4.340 -0.009 0.000 0.207 108 L C 1.674 178.574 176.870 0.050 0.000 1.078 108 L CA 1.090 55.955 54.840 0.042 0.000 0.749 108 L CB -0.350 41.679 42.059 -0.051 0.000 0.901 108 L HN 0.133 nan 8.230 nan 0.000 0.433 109 D N 0.248 120.655 120.400 0.012 0.000 2.117 109 D HA -0.178 4.457 4.640 -0.009 0.000 0.197 109 D C 2.222 178.525 176.300 0.005 0.000 0.987 109 D CA 1.486 55.480 54.000 -0.010 0.000 0.829 109 D CB -0.082 40.715 40.800 -0.006 0.000 0.961 109 D HN 0.329 nan 8.370 nan 0.000 0.460 110 A N 1.037 123.887 122.820 0.050 0.000 1.865 110 A HA -0.204 4.110 4.320 -0.009 0.000 0.217 110 A C 2.321 179.941 177.584 0.060 0.000 1.191 110 A CA 1.619 53.692 52.037 0.061 0.000 0.623 110 A CB -0.638 18.418 19.000 0.094 0.000 0.826 110 A HN 0.137 nan 8.150 nan 0.000 0.444 111 M N -0.770 118.900 119.600 0.116 0.000 2.080 111 M HA -0.190 4.285 4.480 -0.009 0.000 0.260 111 M C 2.517 178.821 176.300 0.007 0.000 1.068 111 M CA 1.642 56.990 55.300 0.080 0.000 1.109 111 M CB -0.489 32.204 32.600 0.155 0.000 1.342 111 M HN 0.510 nan 8.290 nan 0.000 0.405 112 A N 0.073 122.854 122.820 -0.066 0.000 2.015 112 A HA -0.125 4.189 4.320 -0.009 0.000 0.219 112 A C 2.222 179.674 177.584 -0.220 0.000 1.163 112 A CA 1.820 53.677 52.037 -0.300 0.000 0.646 112 A CB -0.779 17.894 19.000 -0.546 0.000 0.806 112 A HN 0.613 nan 8.150 nan 0.000 0.448 113 S N -0.044 115.598 115.700 -0.097 0.000 2.399 113 S HA -0.123 4.342 4.470 -0.009 0.000 0.231 113 S C 1.598 176.191 174.600 -0.011 0.000 1.022 113 S CA 1.749 59.923 58.200 -0.044 0.000 0.983 113 S CB -0.772 62.417 63.200 -0.019 0.000 0.803 113 S HN 1.060 nan 8.310 nan 0.000 0.480 114 V N -1.968 117.943 119.914 -0.005 0.000 3.570 114 V HA 0.631 4.745 4.120 -0.009 0.000 0.257 114 V C 1.139 177.247 176.094 0.022 0.000 1.272 114 V CA -0.236 62.069 62.300 0.008 0.000 1.079 114 V CB -1.027 30.797 31.823 0.001 0.000 0.829 114 V HN 0.593 nan 8.190 nan 0.000 0.454 115 A N 2.053 124.894 122.820 0.035 0.000 2.555 115 A HA 0.386 4.701 4.320 -0.009 0.000 0.233 115 A C 1.176 178.821 177.584 0.102 0.000 1.060 115 A CA 1.009 53.085 52.037 0.066 0.000 0.759 115 A CB -0.044 19.017 19.000 0.100 0.000 0.995 115 A HN 0.985 nan 8.150 nan 0.000 0.506 116 T N -1.295 113.298 114.554 0.064 0.000 3.132 116 T HA 0.428 4.773 4.350 -0.009 0.000 0.274 116 T C 0.149 174.868 174.700 0.032 0.000 1.011 116 T CA 0.394 62.521 62.100 0.045 0.000 0.899 116 T CB -1.208 67.666 68.868 0.011 0.000 1.089 116 T HN 1.540 nan 8.240 nan 0.000 0.543 117 V N -2.790 117.158 119.914 0.057 0.000 3.074 117 V HA 0.815 4.930 4.120 -0.009 0.000 0.314 117 V C -3.312 172.821 176.094 0.064 0.000 1.117 117 V CA -3.392 58.929 62.300 0.035 0.000 1.014 117 V CB 1.669 33.513 31.823 0.034 0.000 1.057 117 V HN -0.172 nan 8.190 nan 0.000 0.438 118 P HA 0.304 nan 4.420 nan 0.000 0.271 118 P C -0.586 176.844 177.300 0.216 0.000 1.220 118 P CA 0.084 63.193 63.100 0.016 0.000 0.768 118 P CB 0.828 32.533 31.700 0.008 0.000 0.848 119 V N 5.498 125.699 119.914 0.478 0.000 2.481 119 V HA 0.391 4.506 4.120 -0.009 0.000 0.286 119 V C 0.487 176.754 176.094 0.288 0.000 1.042 119 V CA -0.253 62.235 62.300 0.314 0.000 0.928 119 V CB 0.994 32.961 31.823 0.240 0.000 0.986 119 V HN 0.385 nan 8.190 nan 0.000 0.462 120 I N 3.536 124.234 120.570 0.212 0.000 2.499 120 I HA 0.334 4.499 4.170 -0.009 0.000 0.288 120 I C -0.384 175.837 176.117 0.173 0.000 1.048 120 I CA -0.591 60.856 61.300 0.245 0.000 1.062 120 I CB 2.030 40.166 38.000 0.227 0.000 1.238 120 I HN 0.538 nan 8.210 nan 0.000 0.426 121 N N 5.185 123.994 118.700 0.181 0.000 2.402 121 N HA 0.232 4.967 4.740 -0.009 0.000 0.252 121 N C 0.405 176.013 175.510 0.163 0.000 1.118 121 N CA -0.045 53.060 53.050 0.093 0.000 0.945 121 N CB 1.552 40.059 38.487 0.034 0.000 1.147 121 N HN 0.751 nan 8.380 nan 0.000 0.495 122 A N 4.025 126.888 122.820 0.071 0.000 2.302 122 A HA 0.319 4.634 4.320 -0.009 0.000 0.219 122 A C 0.455 178.046 177.584 0.012 0.000 1.243 122 A CA -0.158 51.967 52.037 0.148 0.000 0.856 122 A CB -0.707 18.281 19.000 -0.020 0.000 0.893 122 A HN 0.817 nan 8.150 nan 0.000 0.491 123 L N -1.505 119.658 121.223 -0.099 0.000 5.696 123 L HA 0.067 4.401 4.340 -0.009 0.000 0.233 123 L C -0.643 176.074 176.870 -0.255 0.000 1.141 123 L CA 0.218 54.867 54.840 -0.318 0.000 0.661 123 L CB -0.540 41.109 42.059 -0.683 0.000 1.380 123 L HN 0.464 nan 8.230 nan 0.000 0.120 124 S N 1.542 117.127 115.700 -0.193 0.000 2.851 124 S HA 0.618 5.082 4.470 -0.009 0.000 0.317 124 S C 0.093 174.573 174.600 -0.200 0.000 1.144 124 S CA -0.234 57.837 58.200 -0.215 0.000 0.862 124 S CB 1.696 64.810 63.200 -0.143 0.000 1.259 124 S HN 0.669 nan 8.310 nan 0.000 0.564 125 D N 0.369 120.663 120.400 -0.175 0.000 2.312 125 D HA 0.117 4.752 4.640 -0.009 0.000 0.211 125 D C 1.180 177.376 176.300 -0.174 0.000 0.964 125 D CA 1.008 54.919 54.000 -0.148 0.000 0.877 125 D CB 0.015 40.775 40.800 -0.066 0.000 0.924 125 D HN 0.528 nan 8.370 nan 0.000 0.515 126 E N -1.120 118.933 120.200 -0.245 0.000 2.206 126 E HA 0.188 4.532 4.350 -0.009 0.000 0.195 126 E C -0.154 175.965 176.600 -0.802 0.000 0.935 126 E CA 0.408 56.493 56.400 -0.525 0.000 0.875 126 E CB 0.431 29.695 29.700 -0.726 0.000 0.841 126 E HN 0.090 nan 8.360 nan 0.000 0.477 127 F N -1.416 118.536 119.950 0.004 0.000 2.613 127 F HA 0.448 4.970 4.527 -0.008 0.000 0.314 127 F C -0.149 175.674 175.800 0.039 0.000 1.075 127 F CA -1.019 56.986 58.000 0.008 0.000 0.945 127 F CB 1.581 40.550 39.000 -0.052 0.000 1.310 127 F HN -0.159 nan 8.300 nan 0.000 0.467 128 H N 2.533 121.694 119.070 0.153 0.000 2.597 128 H HA 0.341 4.892 4.556 -0.009 0.000 0.225 128 H C -2.364 173.022 175.328 0.097 0.000 1.422 128 H CA -2.894 53.209 56.048 0.091 0.000 1.335 128 H CB 0.768 30.558 29.762 0.047 0.000 1.783 128 H HN 0.159 nan 8.280 nan 0.000 0.513 129 P HA -0.090 nan 4.420 nan 0.000 0.223 129 P C 1.155 178.613 177.300 0.264 0.000 1.151 129 P CA 0.676 63.822 63.100 0.075 0.000 0.787 129 P CB 0.305 31.781 31.700 -0.372 0.000 0.788 130 C N -0.752 118.737 119.300 0.316 0.000 2.467 130 C HA -0.019 4.436 4.460 -0.009 0.000 0.279 130 C C 2.952 177.943 174.990 0.000 0.000 1.347 130 C CA 0.744 59.910 59.018 0.246 0.000 1.748 130 C CB -1.639 26.292 27.740 0.318 0.000 1.977 130 C HN 0.223 nan 8.230 nan 0.000 0.501 131 Q N 1.317 120.970 119.800 -0.245 0.000 2.084 131 Q HA -0.116 4.218 4.340 -0.009 0.000 0.202 131 Q C 2.008 177.915 176.000 -0.156 0.000 0.978 131 Q CA 1.998 57.587 55.803 -0.357 0.000 0.844 131 Q CB -0.429 27.783 28.738 -0.877 0.000 0.898 131 Q HN 0.442 nan 8.270 nan 0.000 0.426 132 V N 0.576 120.430 119.914 -0.101 0.000 2.626 132 V HA -0.201 3.914 4.120 -0.009 0.000 0.252 132 V C 2.226 178.318 176.094 -0.003 0.000 1.067 132 V CA 1.343 63.624 62.300 -0.032 0.000 1.081 132 V CB -0.516 31.302 31.823 -0.008 0.000 0.686 132 V HN 0.378 nan 8.190 nan 0.000 0.468 133 L N 0.043 121.280 121.223 0.023 0.000 2.093 133 L HA -0.126 4.208 4.340 -0.009 0.000 0.208 133 L C 2.667 179.523 176.870 -0.023 0.000 1.085 133 L CA 1.491 56.331 54.840 0.000 0.000 0.755 133 L CB -0.680 41.372 42.059 -0.012 0.000 0.904 133 L HN 0.376 nan 8.230 nan 0.000 0.435 134 A N -0.413 122.388 122.820 -0.032 0.000 1.968 134 A HA -0.175 4.140 4.320 -0.009 0.000 0.217 134 A C 1.851 179.426 177.584 -0.015 0.000 1.169 134 A CA 1.498 53.519 52.037 -0.026 0.000 0.638 134 A CB -0.335 18.640 19.000 -0.041 0.000 0.812 134 A HN 0.301 nan 8.150 nan 0.000 0.446 135 D N 0.358 120.745 120.400 -0.022 0.000 2.097 135 D HA -0.123 4.512 4.640 -0.009 0.000 0.195 135 D C 1.943 178.241 176.300 -0.004 0.000 0.989 135 D CA 1.094 55.088 54.000 -0.011 0.000 0.827 135 D CB -0.373 40.419 40.800 -0.013 0.000 0.966 135 D HN 0.435 nan 8.370 nan 0.000 0.456 136 L N 0.443 121.662 121.223 -0.007 0.000 2.046 136 L HA -0.187 4.147 4.340 -0.009 0.000 0.208 136 L C 2.602 179.468 176.870 -0.007 0.000 1.077 136 L CA 1.092 55.927 54.840 -0.008 0.000 0.747 136 L CB -0.443 41.607 42.059 -0.015 0.000 0.896 136 L HN 0.082 nan 8.230 nan 0.000 0.432 137 Q N -0.267 119.529 119.800 -0.007 0.000 2.170 137 Q HA -0.227 4.107 4.340 -0.009 0.000 0.203 137 Q C 2.166 178.172 176.000 0.009 0.000 0.976 137 Q CA 2.121 57.924 55.803 -0.000 0.000 0.858 137 Q CB -0.010 28.734 28.738 0.010 0.000 0.907 137 Q HN 0.508 nan 8.270 nan 0.000 0.433 138 T N -1.194 113.367 114.554 0.012 0.000 2.942 138 T HA -0.014 4.331 4.350 -0.009 0.000 0.265 138 T C 1.799 176.505 174.700 0.011 0.000 1.062 138 T CA 0.796 62.906 62.100 0.016 0.000 1.139 138 T CB -0.210 68.668 68.868 0.017 0.000 0.883 138 T HN 0.334 nan 8.240 nan 0.000 0.468 139 I N 1.874 122.449 120.570 0.009 0.000 2.133 139 I HA -0.036 4.129 4.170 -0.009 0.000 0.238 139 I C 3.243 179.364 176.117 0.008 0.000 1.074 139 I CA 1.191 62.497 61.300 0.010 0.000 1.342 139 I CB -0.827 37.180 38.000 0.011 0.000 1.053 139 I HN 0.348 nan 8.210 nan 0.000 0.404 140 A N 1.446 124.268 122.820 0.003 0.000 1.903 140 A HA -0.296 4.018 4.320 -0.009 0.000 0.219 140 A C 2.231 179.816 177.584 0.001 0.000 1.191 140 A CA 2.442 54.479 52.037 0.000 0.000 0.638 140 A CB -0.983 18.013 19.000 -0.006 0.000 0.823 140 A HN 0.700 nan 8.150 nan 0.000 0.451 141 E N -0.944 119.258 120.200 0.002 0.000 2.347 141 E HA -0.124 4.221 4.350 -0.009 0.000 0.196 141 E C 1.952 178.556 176.600 0.006 0.000 1.008 141 E CA 0.956 57.357 56.400 0.002 0.000 0.852 141 E CB -0.152 29.549 29.700 0.002 0.000 0.783 141 E HN 0.623 nan 8.360 nan 0.000 0.505 142 R N 0.256 120.761 120.500 0.009 0.000 2.175 142 R HA 0.177 4.512 4.340 -0.009 0.000 0.202 142 R C 1.703 178.009 176.300 0.010 0.000 1.018 142 R CA 0.736 56.842 56.100 0.010 0.000 1.029 142 R CB 0.397 30.704 30.300 0.012 0.000 0.959 142 R HN -0.008 nan 8.270 nan 0.000 0.480 143 K N -1.171 119.236 120.400 0.011 0.000 2.412 143 K HA 0.253 4.568 4.320 -0.009 0.000 0.202 143 K C 0.591 177.197 176.600 0.010 0.000 1.102 143 K CA 0.485 56.779 56.287 0.012 0.000 1.027 143 K CB 1.778 34.287 32.500 0.016 0.000 0.931 143 K HN 0.273 nan 8.250 nan 0.000 0.557 144 G N 1.863 110.667 108.800 0.007 0.000 2.972 144 G HA2 -0.306 3.649 3.960 -0.009 0.000 0.265 144 G HA3 -0.306 3.649 3.960 -0.009 0.000 0.265 144 G C -0.077 174.825 174.900 0.003 0.000 1.506 144 G CA -0.207 44.896 45.100 0.005 0.000 1.016 144 G HN 0.413 nan 8.290 nan 0.000 0.563 145 A N -0.455 122.368 122.820 0.005 0.000 2.271 145 A HA 0.763 5.077 4.320 -0.009 0.000 0.288 145 A C 1.017 178.603 177.584 0.004 0.000 1.094 145 A CA 0.485 52.524 52.037 0.003 0.000 0.828 145 A CB 1.053 20.056 19.000 0.005 0.000 1.091 145 A HN 1.168 nan 8.150 nan 0.000 0.493 146 L N 0.015 121.236 121.223 -0.003 0.000 2.537 146 L HA 0.243 4.577 4.340 -0.009 0.000 0.224 146 L C 1.523 178.388 176.870 -0.009 0.000 1.065 146 L CA 0.811 55.648 54.840 -0.005 0.000 0.860 146 L CB -0.686 41.364 42.059 -0.015 0.000 1.086 146 L HN 0.799 nan 8.230 nan 0.000 0.482 147 R N 0.166 120.658 120.500 -0.012 0.000 2.502 147 R HA 0.259 4.594 4.340 -0.009 0.000 0.292 147 R C 1.007 177.309 176.300 0.004 0.000 0.998 147 R CA 1.059 57.146 56.100 -0.021 0.000 1.056 147 R CB -0.042 30.249 30.300 -0.015 0.000 0.939 147 R HN 0.414 nan 8.270 nan 0.000 0.411 148 G N 3.558 112.351 108.800 -0.012 0.000 2.148 148 G HA2 -0.284 3.671 3.960 -0.009 0.000 0.254 148 G HA3 -0.284 3.671 3.960 -0.009 0.000 0.254 148 G C 0.144 175.142 174.900 0.163 0.000 0.981 148 G CA 0.231 45.396 45.100 0.109 0.000 0.670 148 G HN 0.495 nan 8.290 nan 0.000 0.528 149 L N -0.882 120.396 121.223 0.092 0.000 2.475 149 L HA 0.609 4.944 4.340 -0.009 0.000 0.253 149 L C 1.156 178.115 176.870 0.149 0.000 1.198 149 L CA -0.632 54.267 54.840 0.099 0.000 0.814 149 L CB 0.592 42.684 42.059 0.055 0.000 1.134 149 L HN 0.097 nan 8.230 nan 0.000 0.478 150 R N 1.431 122.002 120.500 0.119 0.000 2.310 150 R HA 0.528 4.863 4.340 -0.009 0.000 0.324 150 R C -1.166 175.189 176.300 0.093 0.000 0.955 150 R CA -0.315 55.858 56.100 0.121 0.000 0.830 150 R CB 1.316 31.669 30.300 0.089 0.000 1.154 150 R HN 0.390 nan 8.270 nan 0.000 0.458 151 L N 1.801 123.077 121.223 0.088 0.000 2.333 151 L HA 0.537 4.872 4.340 -0.009 0.000 0.280 151 L C -0.932 175.976 176.870 0.063 0.000 1.004 151 L CA -0.210 54.677 54.840 0.078 0.000 0.820 151 L CB 1.870 43.967 42.059 0.064 0.000 1.247 151 L HN 0.536 nan 8.230 nan 0.000 0.416 152 S N 3.585 119.327 115.700 0.070 0.000 2.454 152 S HA 0.414 4.879 4.470 -0.009 0.000 0.306 152 S C -1.327 173.232 174.600 -0.068 0.000 1.100 152 S CA -0.288 57.876 58.200 -0.059 0.000 1.087 152 S CB 1.055 64.190 63.200 -0.108 0.000 1.019 152 S HN 0.510 nan 8.310 nan 0.000 0.480 153 Y N 3.468 123.598 120.300 -0.284 0.000 2.341 153 Y HA 0.652 5.197 4.550 -0.008 0.000 0.337 153 Y C -1.570 174.105 175.900 -0.376 0.000 1.014 153 Y CA -1.045 56.941 58.100 -0.190 0.000 1.111 153 Y CB 0.516 38.913 38.460 -0.104 0.000 1.194 153 Y HN 0.537 nan 8.280 nan 0.000 0.462 154 F N 4.864 124.344 119.950 -0.783 0.000 2.482 154 F HA 0.708 5.230 4.527 -0.009 0.000 0.331 154 F C 0.724 176.136 175.800 -0.646 0.000 1.115 154 F CA 0.212 57.946 58.000 -0.443 0.000 0.955 154 F CB 1.856 40.786 39.000 -0.116 0.000 1.136 154 F HN 0.805 nan 8.300 nan 0.000 0.452 155 G N 2.279 110.942 108.800 -0.229 0.000 2.145 155 G HA2 -0.140 3.815 3.960 -0.009 0.000 0.203 155 G HA3 -0.140 3.815 3.960 -0.009 0.000 0.203 155 G C -1.252 173.450 174.900 -0.330 0.000 1.096 155 G CA -0.686 44.272 45.100 -0.236 0.000 1.282 155 G HN 0.577 nan 8.290 nan 0.000 0.474 156 D N 2.314 122.476 120.400 -0.396 0.000 2.374 156 D HA 0.497 5.132 4.640 -0.009 0.000 0.240 156 D C 1.423 177.789 176.300 0.110 0.000 1.229 156 D CA 0.712 54.573 54.000 -0.231 0.000 0.895 156 D CB 0.531 41.116 40.800 -0.358 0.000 1.046 156 D HN 0.760 nan 8.370 nan 0.000 0.498 157 G N 2.460 111.349 108.800 0.149 0.000 2.985 157 G HA2 0.172 4.127 3.960 -0.009 0.000 0.209 157 G HA3 0.172 4.127 3.960 -0.009 0.000 0.209 157 G C 0.920 175.792 174.900 -0.046 0.000 1.165 157 G CA 0.367 45.534 45.100 0.111 0.000 0.776 157 G HN 0.528 nan 8.290 nan 0.000 0.541 158 A N 0.471 123.264 122.820 -0.045 0.000 2.431 158 A HA 0.271 4.585 4.320 -0.009 0.000 0.239 158 A C 1.136 178.477 177.584 -0.404 0.000 1.230 158 A CA -0.085 51.851 52.037 -0.168 0.000 0.928 158 A CB -0.082 18.940 19.000 0.036 0.000 1.006 158 A HN 0.421 nan 8.150 nan 0.000 0.520 159 N N 0.689 119.188 118.700 -0.334 0.000 2.379 159 N HA 0.023 4.758 4.740 -0.009 0.000 0.260 159 N C 0.438 175.671 175.510 -0.463 0.000 1.254 159 N CA 0.335 53.209 53.050 -0.293 0.000 0.958 159 N CB 0.029 38.432 38.487 -0.139 0.000 1.208 159 N HN 0.157 nan 8.380 nan 0.000 0.532 160 N N 0.229 118.760 118.700 -0.282 0.000 2.166 160 N HA -0.163 4.572 4.740 -0.009 0.000 0.186 160 N C 1.307 176.728 175.510 -0.148 0.000 1.019 160 N CA 1.551 54.473 53.050 -0.213 0.000 0.856 160 N CB -0.385 38.039 38.487 -0.105 0.000 0.993 160 N HN 0.405 nan 8.380 nan 0.000 0.426 161 M N 0.615 120.116 119.600 -0.166 0.000 2.117 161 M HA 0.114 4.588 4.480 -0.009 0.000 0.262 161 M C 2.206 178.228 176.300 -0.464 0.000 1.065 161 M CA 1.339 56.516 55.300 -0.206 0.000 1.114 161 M CB -1.406 31.106 32.600 -0.145 0.000 1.361 161 M HN 0.388 nan 8.290 nan 0.000 0.408 162 A N -0.515 121.857 122.820 -0.747 0.000 1.908 162 A HA -0.207 4.108 4.320 -0.009 0.000 0.218 162 A C 1.947 179.337 177.584 -0.323 0.000 1.181 162 A CA 1.717 53.251 52.037 -0.838 0.000 0.627 162 A CB -0.940 17.644 19.000 -0.694 0.000 0.818 162 A HN 0.478 nan 8.150 nan 0.000 0.445 163 H N -0.525 118.417 119.070 -0.214 0.000 2.395 163 H HA 0.039 4.590 4.556 -0.009 0.000 0.299 163 H C 2.484 177.842 175.328 0.050 0.000 1.070 163 H CA 1.381 57.384 56.048 -0.075 0.000 1.356 163 H CB -0.398 29.266 29.762 -0.163 0.000 1.401 163 H HN 0.453 nan 8.280 nan 0.000 0.524 164 S N 0.207 116.005 115.700 0.163 0.000 2.395 164 S HA 0.003 4.468 4.470 -0.009 0.000 0.225 164 S C 2.408 177.024 174.600 0.027 0.000 1.027 164 S CA 0.252 58.529 58.200 0.129 0.000 0.965 164 S CB -0.048 63.221 63.200 0.115 0.000 0.812 164 S HN 0.198 nan 8.310 nan 0.000 0.482 165 L N 1.226 122.425 121.223 -0.039 0.000 2.017 165 L HA -0.134 4.201 4.340 -0.009 0.000 0.208 165 L C 2.254 179.113 176.870 -0.017 0.000 1.073 165 L CA 1.073 55.887 54.840 -0.044 0.000 0.745 165 L CB -0.673 41.330 42.059 -0.094 0.000 0.894 165 L HN 0.288 nan 8.230 nan 0.000 0.432 166 L N -0.495 120.720 121.223 -0.013 0.000 1.963 166 L HA -0.317 4.017 4.340 -0.009 0.000 0.220 166 L C 2.506 179.383 176.870 0.012 0.000 1.076 166 L CA 1.752 56.600 54.840 0.013 0.000 0.772 166 L CB -0.528 41.557 42.059 0.043 0.000 0.892 166 L HN 0.276 nan 8.230 nan 0.000 0.435 167 L N -1.372 119.866 121.223 0.025 0.000 2.131 167 L HA -0.039 4.296 4.340 -0.009 0.000 0.206 167 L C 2.574 179.430 176.870 -0.023 0.000 1.087 167 L CA 1.075 55.912 54.840 -0.006 0.000 0.767 167 L CB -0.861 41.185 42.059 -0.022 0.000 0.917 167 L HN 0.319 nan 8.230 nan 0.000 0.441 168 G N -0.452 108.340 108.800 -0.013 0.000 2.408 168 G HA2 -0.093 3.862 3.960 -0.009 0.000 0.215 168 G HA3 -0.093 3.862 3.960 -0.009 0.000 0.215 168 G C 1.575 176.466 174.900 -0.015 0.000 1.156 168 G CA 0.610 45.704 45.100 -0.010 0.000 0.793 168 G HN 0.435 nan 8.290 nan 0.000 0.535 169 G N 1.144 109.937 108.800 -0.013 0.000 2.480 169 G HA2 -0.222 3.733 3.960 -0.009 0.000 0.216 169 G HA3 -0.222 3.733 3.960 -0.009 0.000 0.216 169 G C 2.006 176.884 174.900 -0.038 0.000 1.200 169 G CA 2.450 47.539 45.100 -0.018 0.000 0.782 169 G HN 0.818 nan 8.290 nan 0.000 0.554 170 V N -1.424 118.467 119.914 -0.038 0.000 2.594 170 V HA -0.103 4.011 4.120 -0.009 0.000 0.253 170 V C 2.545 178.605 176.094 -0.056 0.000 1.069 170 V CA 2.616 64.882 62.300 -0.056 0.000 1.082 170 V CB -1.241 30.557 31.823 -0.041 0.000 0.680 170 V HN 0.261 nan 8.190 nan 0.000 0.469 171 T N 1.035 115.564 114.554 -0.043 0.000 2.915 171 T HA 0.126 4.471 4.350 -0.009 0.000 0.269 171 T C 1.883 176.555 174.700 -0.045 0.000 1.071 171 T CA 1.596 63.671 62.100 -0.041 0.000 1.132 171 T CB -0.342 68.504 68.868 -0.036 0.000 0.878 171 T HN 0.759 nan 8.240 nan 0.000 0.479 172 A N 0.245 123.037 122.820 -0.046 0.000 2.238 172 A HA 0.523 4.837 4.320 -0.009 0.000 0.208 172 A C 1.835 179.384 177.584 -0.059 0.000 1.177 172 A CA 0.758 52.767 52.037 -0.047 0.000 0.804 172 A CB -0.583 18.395 19.000 -0.037 0.000 0.823 172 A HN 0.671 nan 8.150 nan 0.000 0.482 173 G N -0.880 107.871 108.800 -0.082 0.000 2.132 173 G HA2 -0.197 3.758 3.960 -0.009 0.000 0.234 173 G HA3 -0.197 3.758 3.960 -0.009 0.000 0.234 173 G C 0.027 174.807 174.900 -0.200 0.000 0.989 173 G CA 0.172 45.196 45.100 -0.127 0.000 0.676 173 G HN 0.439 nan 8.290 nan 0.000 0.522 174 I N 0.989 121.466 120.570 -0.155 0.000 2.365 174 I HA 0.294 4.458 4.170 -0.009 0.000 0.291 174 I C 0.608 176.613 176.117 -0.187 0.000 1.004 174 I CA -0.961 60.260 61.300 -0.132 0.000 1.311 174 I CB 0.725 38.701 38.000 -0.039 0.000 1.401 174 I HN 0.098 nan 8.210 nan 0.000 0.491 175 H N 4.746 123.824 119.070 0.012 0.000 2.944 175 H HA 0.251 4.802 4.556 -0.008 0.000 0.278 175 H C -0.511 174.825 175.328 0.013 0.000 1.083 175 H CA -0.135 55.920 56.048 0.012 0.000 1.479 175 H CB 0.567 30.338 29.762 0.014 0.000 1.486 175 H HN 0.211 nan 8.280 nan 0.000 0.493 176 V N 4.459 124.423 119.914 0.085 0.000 2.435 176 V HA 0.256 4.371 4.120 -0.009 0.000 0.290 176 V C 0.318 176.441 176.094 0.049 0.000 1.030 176 V CA -0.522 61.811 62.300 0.055 0.000 0.881 176 V CB 1.811 33.650 31.823 0.026 0.000 0.983 176 V HN 0.797 nan 8.190 nan 0.000 0.445 177 T N 4.237 118.807 114.554 0.027 0.000 2.807 177 T HA 0.538 4.882 4.350 -0.009 0.000 0.279 177 T C -0.475 174.206 174.700 -0.031 0.000 0.993 177 T CA -0.373 61.724 62.100 -0.004 0.000 0.970 177 T CB 1.724 70.575 68.868 -0.028 0.000 0.950 177 T HN 0.318 nan 8.240 nan 0.000 0.441 178 V N 2.920 122.831 119.914 -0.005 0.000 2.347 178 V HA 0.653 4.768 4.120 -0.009 0.000 0.280 178 V C 0.185 176.268 176.094 -0.018 0.000 1.021 178 V CA -0.855 61.459 62.300 0.023 0.000 0.847 178 V CB 1.086 32.949 31.823 0.067 0.000 0.990 178 V HN 1.065 nan 8.190 nan 0.000 0.444 179 A N 4.767 127.520 122.820 -0.111 0.000 2.253 179 A HA 0.909 5.224 4.320 -0.009 0.000 0.316 179 A C 0.116 177.677 177.584 -0.039 0.000 1.327 179 A CA 0.042 52.080 52.037 0.003 0.000 0.917 179 A CB 0.559 19.507 19.000 -0.088 0.000 1.162 179 A HN 1.321 nan 8.150 nan 0.000 0.535 180 A N 4.033 126.771 122.820 -0.137 0.000 2.606 180 A HA 0.898 5.212 4.320 -0.009 0.000 0.293 180 A C -3.226 174.123 177.584 -0.392 0.000 1.082 180 A CA -1.605 50.101 52.037 -0.550 0.000 0.685 180 A CB 0.976 19.899 19.000 -0.127 0.000 1.284 180 A HN 0.490 nan 8.150 nan 0.000 0.408 181 P HA 0.094 nan 4.420 nan 0.000 0.269 181 P C 0.623 177.965 177.300 0.071 0.000 1.217 181 P CA 0.129 63.219 63.100 -0.017 0.000 0.783 181 P CB 0.405 32.100 31.700 -0.009 0.000 0.898 182 E N 0.741 120.978 120.200 0.061 0.000 2.333 182 E HA -0.120 4.225 4.350 -0.009 0.000 0.198 182 E C 1.511 178.087 176.600 -0.040 0.000 1.007 182 E CA 1.367 57.779 56.400 0.021 0.000 0.845 182 E CB -0.962 28.747 29.700 0.014 0.000 0.766 182 E HN 0.573 nan 8.360 nan 0.000 0.507 183 G N 0.077 108.813 108.800 -0.106 0.000 3.042 183 G HA2 0.041 3.996 3.960 -0.009 0.000 0.212 183 G HA3 0.041 3.996 3.960 -0.009 0.000 0.212 183 G C 0.034 174.590 174.900 -0.572 0.000 1.166 183 G CA -0.368 44.517 45.100 -0.357 0.000 0.767 183 G HN 0.167 nan 8.290 nan 0.000 0.546 184 F N 1.196 121.118 119.950 -0.046 0.000 2.664 184 F HA 0.508 5.030 4.527 -0.009 0.000 0.322 184 F C 0.077 175.870 175.800 -0.012 0.000 1.324 184 F CA -0.684 57.314 58.000 -0.003 0.000 1.154 184 F CB 0.566 39.609 39.000 0.072 0.000 1.236 184 F HN -0.192 nan 8.300 nan 0.000 0.532 185 L N 1.323 122.592 121.223 0.077 0.000 2.334 185 L HA 0.592 4.926 4.340 -0.009 0.000 0.270 185 L C -2.203 174.710 176.870 0.071 0.000 1.018 185 L CA -2.326 52.552 54.840 0.063 0.000 0.811 185 L CB 1.540 43.619 42.059 0.034 0.000 1.271 185 L HN -0.016 nan 8.230 nan 0.000 0.443 186 P HA -0.049 nan 4.420 nan 0.000 0.266 186 P C -0.964 176.440 177.300 0.173 0.000 1.193 186 P CA -0.116 63.102 63.100 0.198 0.000 0.770 186 P CB 0.337 32.133 31.700 0.160 0.000 0.836 187 D N 3.501 124.053 120.400 0.253 0.000 2.493 187 D HA -0.019 4.615 4.640 -0.009 0.000 0.240 187 D C -1.310 174.970 176.300 -0.033 0.000 1.142 187 D CA -1.010 53.001 54.000 0.018 0.000 0.872 187 D CB 0.330 41.042 40.800 -0.145 0.000 1.173 187 D HN 0.209 nan 8.370 nan 0.000 0.467 188 P HA -0.202 nan 4.420 nan 0.000 0.216 188 P C 1.054 178.336 177.300 -0.030 0.000 1.150 188 P CA 1.316 64.405 63.100 -0.018 0.000 0.843 188 P CB 0.045 31.736 31.700 -0.015 0.000 0.787 189 S N -2.130 113.542 115.700 -0.047 0.000 2.470 189 S HA -0.030 4.435 4.470 -0.009 0.000 0.225 189 S C 1.852 176.423 174.600 -0.048 0.000 1.006 189 S CA 0.652 58.828 58.200 -0.040 0.000 0.934 189 S CB -1.312 61.868 63.200 -0.032 0.000 0.778 189 S HN -0.048 nan 8.310 nan 0.000 0.517 190 V N 2.043 121.897 119.914 -0.100 0.000 2.407 190 V HA 0.014 4.129 4.120 -0.009 0.000 0.245 190 V C 2.888 178.958 176.094 -0.040 0.000 1.041 190 V CA 1.750 63.989 62.300 -0.102 0.000 1.040 190 V CB -0.768 30.843 31.823 -0.354 0.000 0.671 190 V HN 0.494 nan 8.190 nan 0.000 0.455 191 R N 0.495 120.978 120.500 -0.028 0.000 2.083 191 R HA -0.186 4.149 4.340 -0.009 0.000 0.237 191 R C 2.325 178.624 176.300 -0.001 0.000 1.137 191 R CA 1.779 57.881 56.100 0.003 0.000 0.951 191 R CB -0.484 29.824 30.300 0.013 0.000 0.851 191 R HN 0.469 nan 8.270 nan 0.000 0.434 192 A N 0.744 123.559 122.820 -0.008 0.000 1.908 192 A HA -0.167 4.147 4.320 -0.009 0.000 0.218 192 A C 2.353 179.932 177.584 -0.008 0.000 1.181 192 A CA 1.935 53.968 52.037 -0.007 0.000 0.627 192 A CB -0.811 18.184 19.000 -0.009 0.000 0.818 192 A HN 0.566 nan 8.150 nan 0.000 0.445 193 A N -0.531 122.282 122.820 -0.013 0.000 1.969 193 A HA 0.246 4.560 4.320 -0.009 0.000 0.218 193 A C 2.443 180.018 177.584 -0.015 0.000 1.169 193 A CA 1.840 53.867 52.037 -0.017 0.000 0.635 193 A CB -0.817 18.168 19.000 -0.024 0.000 0.810 193 A HN 1.012 nan 8.150 nan 0.000 0.445 194 A N -0.151 122.664 122.820 -0.008 0.000 1.897 194 A HA -0.116 4.199 4.320 -0.009 0.000 0.215 194 A C 1.900 179.482 177.584 -0.004 0.000 1.181 194 A CA 1.543 53.577 52.037 -0.005 0.000 0.620 194 A CB -0.455 18.549 19.000 0.007 0.000 0.821 194 A HN 0.593 nan 8.150 nan 0.000 0.443 195 E N -0.848 119.352 120.200 0.001 0.000 2.077 195 E HA -0.166 4.179 4.350 -0.009 0.000 0.193 195 E C 2.339 178.940 176.600 0.000 0.000 0.989 195 E CA 0.730 57.133 56.400 0.004 0.000 0.800 195 E CB -0.109 29.596 29.700 0.007 0.000 0.746 195 E HN 0.302 nan 8.360 nan 0.000 0.452 196 R N 0.888 121.385 120.500 -0.004 0.000 2.092 196 R HA -0.077 4.257 4.340 -0.009 0.000 0.231 196 R C 2.195 178.490 176.300 -0.009 0.000 1.119 196 R CA 1.113 57.210 56.100 -0.005 0.000 0.970 196 R CB -0.098 30.198 30.300 -0.007 0.000 0.864 196 R HN -0.023 nan 8.270 nan 0.000 0.440 197 R N 0.509 121.001 120.500 -0.013 0.000 2.090 197 R HA 0.078 4.413 4.340 -0.009 0.000 0.228 197 R C 1.943 178.231 176.300 -0.020 0.000 1.110 197 R CA 1.646 57.735 56.100 -0.018 0.000 0.973 197 R CB -0.690 29.595 30.300 -0.025 0.000 0.869 197 R HN 0.171 nan 8.270 nan 0.000 0.440 198 A N 0.669 123.478 122.820 -0.019 0.000 1.908 198 A HA -0.240 4.075 4.320 -0.009 0.000 0.218 198 A C 2.042 179.617 177.584 -0.014 0.000 1.181 198 A CA 1.720 53.743 52.037 -0.024 0.000 0.627 198 A CB -0.592 18.400 19.000 -0.013 0.000 0.818 198 A HN 0.564 nan 8.150 nan 0.000 0.445 199 Q N -0.490 119.308 119.800 -0.004 0.000 2.152 199 Q HA -0.218 4.116 4.340 -0.009 0.000 0.206 199 Q C 1.072 177.071 176.000 -0.002 0.000 0.985 199 Q CA 1.557 57.361 55.803 0.001 0.000 0.863 199 Q CB -0.272 28.468 28.738 0.003 0.000 0.904 199 Q HN 0.620 nan 8.270 nan 0.000 0.422 200 D N -0.858 119.537 120.400 -0.008 0.000 2.347 200 D HA -0.057 4.578 4.640 -0.009 0.000 0.213 200 D C 1.629 177.921 176.300 -0.013 0.000 0.985 200 D CA 1.427 55.423 54.000 -0.008 0.000 0.879 200 D CB 0.200 40.995 40.800 -0.008 0.000 0.919 200 D HN 0.394 nan 8.370 nan 0.000 0.526 201 T N -4.500 110.040 114.554 -0.023 0.000 3.003 201 T HA 0.371 4.716 4.350 -0.009 0.000 0.261 201 T C 1.599 176.273 174.700 -0.044 0.000 1.003 201 T CA 0.489 62.568 62.100 -0.035 0.000 0.917 201 T CB 0.902 69.739 68.868 -0.052 0.000 1.084 201 T HN 0.101 nan 8.240 nan 0.000 0.522 202 G N 1.397 110.179 108.800 -0.031 0.000 2.143 202 G HA2 -0.007 3.948 3.960 -0.009 0.000 0.248 202 G HA3 -0.007 3.948 3.960 -0.009 0.000 0.248 202 G C 0.387 175.247 174.900 -0.067 0.000 0.991 202 G CA 0.055 45.147 45.100 -0.014 0.000 0.689 202 G HN 1.140 nan 8.290 nan 0.000 0.522 203 A N -0.557 122.177 122.820 -0.143 0.000 2.301 203 A HA 0.978 5.292 4.320 -0.009 0.000 0.287 203 A C 0.803 178.349 177.584 -0.062 0.000 1.274 203 A CA 0.788 52.637 52.037 -0.313 0.000 0.865 203 A CB 0.902 19.747 19.000 -0.259 0.000 1.324 203 A HN 2.082 nan 8.150 nan 0.000 0.508 204 S N -2.475 113.240 115.700 0.025 0.000 2.607 204 S HA 0.659 5.124 4.470 -0.009 0.000 0.273 204 S C -1.323 173.329 174.600 0.087 0.000 1.148 204 S CA -0.627 57.650 58.200 0.129 0.000 0.833 204 S CB 1.204 64.565 63.200 0.269 0.000 1.130 204 S HN 0.992 nan 8.310 nan 0.000 0.470 205 V N 1.480 121.432 119.914 0.064 0.000 2.540 205 V HA 0.736 4.850 4.120 -0.009 0.000 0.302 205 V C -0.518 175.604 176.094 0.048 0.000 1.035 205 V CA -0.282 62.047 62.300 0.048 0.000 0.873 205 V CB 1.827 33.669 31.823 0.032 0.000 0.992 205 V HN 1.084 nan 8.190 nan 0.000 0.428 206 T N 3.828 118.408 114.554 0.044 0.000 2.861 206 T HA 0.694 5.038 4.350 -0.009 0.000 0.287 206 T C -0.814 173.904 174.700 0.030 0.000 1.003 206 T CA -0.489 61.633 62.100 0.036 0.000 0.977 206 T CB 1.934 70.822 68.868 0.034 0.000 0.996 206 T HN 0.344 nan 8.240 nan 0.000 0.448 207 V N 2.342 122.275 119.914 0.031 0.000 2.531 207 V HA 0.825 4.940 4.120 -0.009 0.000 0.301 207 V C -0.112 176.007 176.094 0.043 0.000 1.034 207 V CA -0.556 61.765 62.300 0.034 0.000 0.865 207 V CB 1.952 33.797 31.823 0.036 0.000 0.995 207 V HN 1.000 nan 8.190 nan 0.000 0.424 208 T N 2.700 117.288 114.554 0.056 0.000 2.923 208 T HA 0.616 4.961 4.350 -0.009 0.000 0.311 208 T C 0.471 175.257 174.700 0.144 0.000 1.183 208 T CA 0.395 62.543 62.100 0.081 0.000 1.020 208 T CB 1.948 70.858 68.868 0.070 0.000 1.165 208 T HN 0.847 nan 8.240 nan 0.000 0.482 209 A N 2.189 125.107 122.820 0.164 0.000 2.278 209 A HA 0.269 4.584 4.320 -0.009 0.000 0.212 209 A C 0.591 178.324 177.584 0.249 0.000 1.213 209 A CA 0.146 52.356 52.037 0.289 0.000 0.840 209 A CB -0.227 18.901 19.000 0.214 0.000 0.866 209 A HN 0.674 nan 8.150 nan 0.000 0.489 210 D N 0.128 120.617 120.400 0.148 0.000 2.443 210 D HA 0.570 5.205 4.640 -0.009 0.000 0.221 210 D C 1.034 177.360 176.300 0.044 0.000 1.097 210 D CA 0.384 54.414 54.000 0.049 0.000 0.865 210 D CB 1.276 42.117 40.800 0.068 0.000 1.034 210 D HN 0.081 nan 8.370 nan 0.000 0.511 211 A N 3.855 126.594 122.820 -0.134 0.000 1.898 211 A HA -0.159 4.155 4.320 -0.009 0.000 0.216 211 A C 1.661 179.322 177.584 0.129 0.000 1.181 211 A CA 1.282 53.337 52.037 0.031 0.000 0.620 211 A CB -0.693 18.129 19.000 -0.297 0.000 0.819 211 A HN 0.780 nan 8.150 nan 0.000 0.442 212 H N -0.308 118.793 119.070 0.051 0.000 2.289 212 H HA -0.083 4.468 4.556 -0.009 0.000 0.296 212 H C 2.496 177.868 175.328 0.075 0.000 1.091 212 H CA 1.430 57.504 56.048 0.044 0.000 1.274 212 H CB -0.085 29.675 29.762 -0.003 0.000 1.364 212 H HN 0.538 nan 8.280 nan 0.000 0.490 213 A N 0.986 123.922 122.820 0.193 0.000 1.940 213 A HA -0.156 4.159 4.320 -0.009 0.000 0.219 213 A C 2.510 180.167 177.584 0.121 0.000 1.176 213 A CA 1.518 53.630 52.037 0.125 0.000 0.631 213 A CB -0.947 18.106 19.000 0.088 0.000 0.814 213 A HN 0.502 nan 8.150 nan 0.000 0.446 214 A N -0.416 122.488 122.820 0.141 0.000 1.930 214 A HA 0.255 4.570 4.320 -0.009 0.000 0.217 214 A C 2.433 180.160 177.584 0.237 0.000 1.175 214 A CA 1.785 53.884 52.037 0.103 0.000 0.627 214 A CB -0.779 18.165 19.000 -0.093 0.000 0.815 214 A HN 0.972 nan 8.150 nan 0.000 0.443 215 A N 0.042 123.093 122.820 0.385 0.000 1.929 215 A HA 0.457 4.772 4.320 -0.009 0.000 0.216 215 A C 1.605 179.295 177.584 0.176 0.000 1.176 215 A CA 0.835 53.077 52.037 0.342 0.000 0.628 215 A CB -1.053 18.071 19.000 0.207 0.000 0.816 215 A HN 1.203 nan 8.150 nan 0.000 0.444 216 A N -0.391 122.512 122.820 0.139 0.000 2.553 216 A HA 0.401 4.715 4.320 -0.009 0.000 0.258 216 A C 1.641 179.266 177.584 0.069 0.000 1.069 216 A CA 0.777 52.865 52.037 0.085 0.000 0.767 216 A CB -1.226 17.816 19.000 0.069 0.000 0.997 216 A HN 2.127 nan 8.150 nan 0.000 0.512 217 G N 1.173 110.006 108.800 0.055 0.000 2.184 217 G HA2 0.110 4.065 3.960 -0.009 0.000 0.264 217 G HA3 0.110 4.065 3.960 -0.009 0.000 0.264 217 G C 0.566 175.498 174.900 0.054 0.000 0.975 217 G CA 0.503 45.630 45.100 0.044 0.000 0.642 217 G HN 2.233 nan 8.290 nan 0.000 0.536 218 A N 0.124 122.990 122.820 0.077 0.000 2.401 218 A HA 0.569 4.883 4.320 -0.009 0.000 0.259 218 A C 1.186 178.814 177.584 0.074 0.000 1.103 218 A CA 0.608 52.698 52.037 0.088 0.000 0.789 218 A CB 0.381 19.461 19.000 0.134 0.000 1.035 218 A HN 0.221 nan 8.150 nan 0.000 0.491 219 D N 0.670 121.112 120.400 0.069 0.000 2.194 219 D HA 0.027 4.662 4.640 -0.009 0.000 0.204 219 D C 0.041 176.376 176.300 0.060 0.000 0.964 219 D CA 1.414 55.448 54.000 0.057 0.000 0.846 219 D CB 0.164 40.996 40.800 0.053 0.000 0.962 219 D HN 0.256 nan 8.370 nan 0.000 0.490 220 V N 2.016 121.976 119.914 0.076 0.000 2.525 220 V HA 0.308 4.423 4.120 -0.009 0.000 0.299 220 V C -0.281 175.888 176.094 0.126 0.000 1.034 220 V CA -0.713 61.635 62.300 0.080 0.000 0.863 220 V CB 2.481 34.343 31.823 0.066 0.000 0.999 220 V HN -0.051 nan 8.190 nan 0.000 0.423 221 L N 5.182 126.483 121.223 0.131 0.000 2.296 221 L HA 0.773 5.108 4.340 -0.009 0.000 0.286 221 L C -0.770 176.199 176.870 0.165 0.000 1.023 221 L CA -0.747 54.224 54.840 0.218 0.000 0.812 221 L CB 1.839 43.980 42.059 0.138 0.000 1.223 221 L HN 0.374 nan 8.230 nan 0.000 0.421 222 V N 1.900 121.954 119.914 0.233 0.000 2.709 222 V HA 0.644 4.759 4.120 -0.009 0.000 0.308 222 V C -0.105 176.027 176.094 0.064 0.000 1.062 222 V CA -0.351 62.037 62.300 0.147 0.000 0.901 222 V CB 2.166 34.108 31.823 0.199 0.000 1.003 222 V HN 0.858 nan 8.190 nan 0.000 0.425 223 T N 1.942 116.434 114.554 -0.102 0.000 2.716 223 T HA 0.701 5.045 4.350 -0.009 0.000 0.286 223 T C -1.993 172.405 174.700 -0.503 0.000 1.052 223 T CA -0.226 61.677 62.100 -0.329 0.000 1.024 223 T CB 2.095 70.811 68.868 -0.252 0.000 1.349 223 T HN 0.912 nan 8.240 nan 0.000 0.525 224 D N -0.729 119.371 120.400 -0.499 0.000 2.692 224 D HA 0.328 4.963 4.640 -0.009 0.000 0.290 224 D C -0.891 175.251 176.300 -0.263 0.000 1.281 224 D CA -0.203 53.540 54.000 -0.428 0.000 0.804 224 D CB 1.835 42.621 40.800 -0.023 0.000 1.331 224 D HN 0.515 nan 8.370 nan 0.000 0.432 225 T N 0.486 114.972 114.554 -0.114 0.000 2.903 225 T HA 0.046 4.390 4.350 -0.009 0.000 0.314 225 T C 0.741 175.375 174.700 -0.111 0.000 1.078 225 T CA 0.222 62.251 62.100 -0.118 0.000 1.114 225 T CB 0.178 69.046 68.868 -0.000 0.000 0.987 225 T HN 0.318 nan 8.240 nan 0.000 0.548 226 W N 2.447 123.593 121.300 -0.257 0.000 2.678 226 W HA 0.173 4.827 4.660 -0.009 0.000 0.256 226 W C 0.947 177.311 176.519 -0.257 0.000 1.280 226 W CA -0.048 57.005 57.345 -0.486 0.000 1.345 226 W CB -0.880 28.357 29.460 -0.372 0.000 1.118 226 W HN 0.474 nan 8.180 nan 0.000 0.629 227 T N 0.477 115.089 114.554 0.098 0.000 2.963 227 T HA 0.325 4.669 4.350 -0.009 0.000 0.328 227 T C 0.071 174.806 174.700 0.059 0.000 1.048 227 T CA -0.283 61.877 62.100 0.099 0.000 1.033 227 T CB 1.739 70.689 68.868 0.136 0.000 1.010 227 T HN -0.388 nan 8.240 nan 0.000 0.469 228 S N 2.784 118.504 115.700 0.033 0.000 2.624 228 S HA 0.384 4.849 4.470 -0.009 0.000 0.263 228 S C 0.772 175.379 174.600 0.011 0.000 1.287 228 S CA -0.753 57.451 58.200 0.006 0.000 0.990 228 S CB 0.288 63.474 63.200 -0.023 0.000 0.950 228 S HN 0.630 nan 8.310 nan 0.000 0.561 229 M N 2.272 121.857 119.600 -0.026 0.000 2.390 229 M HA 0.206 4.680 4.480 -0.009 0.000 0.353 229 M C 1.337 177.618 176.300 -0.032 0.000 1.623 229 M CA 0.922 56.200 55.300 -0.037 0.000 1.065 229 M CB -0.524 32.013 32.600 -0.105 0.000 2.025 229 M HN 1.043 nan 8.290 nan 0.000 0.461 230 G N 2.245 111.099 108.800 0.090 0.000 2.231 230 G HA2 -0.209 3.745 3.960 -0.009 0.000 0.206 230 G HA3 -0.209 3.745 3.960 -0.009 0.000 0.206 230 G C 0.598 175.586 174.900 0.147 0.000 0.996 230 G CA -0.188 45.034 45.100 0.203 0.000 0.645 230 G HN 0.659 nan 8.290 nan 0.000 0.498 231 Q N -0.132 119.730 119.800 0.104 0.000 2.282 231 Q HA 0.241 4.576 4.340 -0.009 0.000 0.206 231 Q C 1.815 177.880 176.000 0.108 0.000 0.878 231 Q CA 0.473 56.340 55.803 0.106 0.000 0.944 231 Q CB 0.231 29.033 28.738 0.106 0.000 1.100 231 Q HN 0.555 nan 8.270 nan 0.000 0.509 232 E N 1.029 121.290 120.200 0.102 0.000 2.233 232 E HA -0.206 4.139 4.350 -0.009 0.000 0.199 232 E C 0.960 177.612 176.600 0.088 0.000 1.004 232 E CA 1.141 57.598 56.400 0.095 0.000 0.819 232 E CB -0.050 29.702 29.700 0.087 0.000 0.738 232 E HN 0.136 nan 8.360 nan 0.000 0.478 233 N N 0.076 118.826 118.700 0.083 0.000 2.291 233 N HA -0.015 4.720 4.740 -0.009 0.000 0.244 233 N C -0.241 175.308 175.510 0.064 0.000 1.216 233 N CA 0.196 53.287 53.050 0.068 0.000 0.879 233 N CB 0.327 38.848 38.487 0.057 0.000 1.167 233 N HN 0.057 nan 8.380 nan 0.000 0.515 234 D N -1.118 119.329 120.400 0.077 0.000 2.348 234 D HA 0.102 4.737 4.640 -0.009 0.000 0.216 234 D C 1.401 177.737 176.300 0.061 0.000 0.970 234 D CA 0.975 55.017 54.000 0.070 0.000 0.889 234 D CB -0.404 40.447 40.800 0.087 0.000 0.912 234 D HN 0.208 nan 8.370 nan 0.000 0.524 235 G N -0.308 108.530 108.800 0.064 0.000 2.195 235 G HA2 -0.252 3.702 3.960 -0.009 0.000 0.246 235 G HA3 -0.252 3.702 3.960 -0.009 0.000 0.246 235 G C 0.074 175.009 174.900 0.060 0.000 0.984 235 G CA 0.195 45.327 45.100 0.052 0.000 0.633 235 G HN 0.406 nan 8.290 nan 0.000 0.525 236 L N 1.408 122.684 121.223 0.088 0.000 2.350 236 L HA 0.381 4.716 4.340 -0.009 0.000 0.275 236 L C 0.423 177.354 176.870 0.102 0.000 1.099 236 L CA -0.837 54.067 54.840 0.107 0.000 0.808 236 L CB 0.926 43.101 42.059 0.193 0.000 1.149 236 L HN 0.140 nan 8.230 nan 0.000 0.442 237 D N 3.152 123.593 120.400 0.069 0.000 2.401 237 D HA -0.001 4.633 4.640 -0.009 0.000 0.254 237 D C 0.253 176.579 176.300 0.043 0.000 1.192 237 D CA 0.370 54.399 54.000 0.049 0.000 0.885 237 D CB 0.668 41.474 40.800 0.008 0.000 1.147 237 D HN 0.409 nan 8.370 nan 0.000 0.478 238 R N 2.991 123.548 120.500 0.095 0.000 2.700 238 R HA 0.180 4.515 4.340 -0.009 0.000 0.399 238 R C 0.490 176.925 176.300 0.225 0.000 1.115 238 R CA -0.235 55.971 56.100 0.176 0.000 1.058 238 R CB 0.860 31.328 30.300 0.278 0.000 1.389 238 R HN 0.272 nan 8.270 nan 0.000 0.582 239 V N -0.671 119.278 119.914 0.059 0.000 3.001 239 V HA -0.007 4.108 4.120 -0.009 0.000 0.228 239 V C 1.812 177.765 176.094 -0.235 0.000 1.204 239 V CA 0.506 62.820 62.300 0.023 0.000 1.247 239 V CB 0.003 31.912 31.823 0.143 0.000 1.093 239 V HN 0.014 nan 8.190 nan 0.000 0.504 240 K N 1.150 121.456 120.400 -0.157 0.000 2.059 240 K HA -0.180 4.135 4.320 -0.009 0.000 0.212 240 K C -0.486 175.941 176.600 -0.289 0.000 1.050 240 K CA 2.445 58.631 56.287 -0.168 0.000 0.927 240 K CB -1.309 31.129 32.500 -0.103 0.000 0.714 240 K HN 0.400 nan 8.250 nan 0.000 0.447 241 P HA -0.062 nan 4.420 nan 0.000 0.223 241 P C 0.388 177.304 177.300 -0.640 0.000 1.151 241 P CA 1.057 63.803 63.100 -0.589 0.000 0.787 241 P CB 0.145 31.314 31.700 -0.885 0.000 0.788 242 F N -1.558 118.014 119.950 -0.631 0.000 2.721 242 F HA 0.276 4.798 4.527 -0.009 0.000 0.301 242 F C 2.108 177.554 175.800 -0.591 0.000 1.096 242 F CA -0.238 57.266 58.000 -0.826 0.000 1.308 242 F CB -0.422 37.379 39.000 -1.998 0.000 1.086 242 F HN -0.282 nan 8.300 nan 0.000 0.587 243 R N 0.800 121.091 120.500 -0.349 0.000 2.113 243 R HA -0.184 4.151 4.340 -0.009 0.000 0.244 243 R C -0.594 175.710 176.300 0.008 0.000 1.142 243 R CA 1.928 57.992 56.100 -0.060 0.000 0.953 243 R CB -1.812 28.462 30.300 -0.044 0.000 0.860 243 R HN 0.213 nan 8.270 nan 0.000 0.438 244 P HA -0.114 nan 4.420 nan 0.000 0.228 244 P C 0.223 177.254 177.300 -0.449 0.000 1.151 244 P CA 1.170 64.085 63.100 -0.309 0.000 0.770 244 P CB 0.078 31.481 31.700 -0.495 0.000 0.786 245 F N -1.428 118.530 119.950 0.014 0.000 2.664 245 F HA 0.199 4.721 4.527 -0.009 0.000 0.303 245 F C 1.266 177.138 175.800 0.120 0.000 1.092 245 F CA -0.497 57.566 58.000 0.104 0.000 1.305 245 F CB -0.395 38.703 39.000 0.163 0.000 1.054 245 F HN -0.138 nan 8.300 nan 0.000 0.565 246 Q N 1.854 121.807 119.800 0.255 0.000 2.300 246 Q HA 0.050 4.384 4.340 -0.009 0.000 0.280 246 Q C -0.275 175.691 176.000 -0.056 0.000 1.033 246 Q CA -0.446 55.482 55.803 0.209 0.000 0.903 246 Q CB 0.776 29.645 28.738 0.217 0.000 1.195 246 Q HN 0.141 nan 8.270 nan 0.000 0.386 247 L N 6.303 127.454 121.223 -0.119 0.000 2.462 247 L HA 0.160 4.495 4.340 -0.009 0.000 0.283 247 L C -0.934 175.849 176.870 -0.145 0.000 1.166 247 L CA 0.402 55.100 54.840 -0.236 0.000 0.964 247 L CB -0.916 41.015 42.059 -0.212 0.000 1.294 247 L HN 0.719 nan 8.230 nan 0.000 0.449 248 N N 0.432 119.051 118.700 -0.135 0.000 2.653 248 N HA 0.356 5.091 4.740 -0.009 0.000 0.294 248 N C 0.728 176.192 175.510 -0.077 0.000 1.305 248 N CA -0.544 52.457 53.050 -0.082 0.000 0.827 248 N CB 0.413 38.870 38.487 -0.050 0.000 1.415 248 N HN 0.084 nan 8.380 nan 0.000 0.546 249 S N -0.397 115.274 115.700 -0.049 0.000 2.374 249 S HA -0.146 4.319 4.470 -0.009 0.000 0.227 249 S C 1.596 176.176 174.600 -0.032 0.000 1.037 249 S CA 1.064 59.242 58.200 -0.037 0.000 1.024 249 S CB -0.374 62.811 63.200 -0.024 0.000 0.861 249 S HN 0.460 nan 8.310 nan 0.000 0.456 250 R N 0.215 120.700 120.500 -0.024 0.000 2.103 250 R HA -0.104 4.231 4.340 -0.009 0.000 0.242 250 R C 2.157 178.455 176.300 -0.004 0.000 1.142 250 R CA 1.207 57.303 56.100 -0.006 0.000 0.960 250 R CB -0.633 29.677 30.300 0.016 0.000 0.858 250 R HN 0.298 nan 8.270 nan 0.000 0.439 251 L N 0.522 121.718 121.223 -0.045 0.000 2.179 251 L HA -0.048 4.287 4.340 -0.009 0.000 0.208 251 L C 2.102 178.930 176.870 -0.071 0.000 1.096 251 L CA 0.887 55.684 54.840 -0.070 0.000 0.779 251 L CB -0.338 41.580 42.059 -0.236 0.000 0.922 251 L HN 0.082 nan 8.230 nan 0.000 0.443 252 L N -0.307 120.868 121.223 -0.080 0.000 2.141 252 L HA -0.051 4.284 4.340 -0.009 0.000 0.209 252 L C 2.416 179.276 176.870 -0.018 0.000 1.094 252 L CA 1.900 56.709 54.840 -0.053 0.000 0.763 252 L CB -1.002 41.025 42.059 -0.054 0.000 0.908 252 L HN 0.223 nan 8.230 nan 0.000 0.437 253 A N -0.656 122.155 122.820 -0.015 0.000 2.019 253 A HA -0.128 4.187 4.320 -0.009 0.000 0.219 253 A C 2.176 179.763 177.584 0.004 0.000 1.164 253 A CA 1.720 53.754 52.037 -0.005 0.000 0.644 253 A CB -0.747 18.248 19.000 -0.009 0.000 0.805 253 A HN 0.528 nan 8.150 nan 0.000 0.449 254 L N -0.917 120.315 121.223 0.015 0.000 2.240 254 L HA 0.071 4.406 4.340 -0.009 0.000 0.211 254 L C 1.766 178.660 176.870 0.039 0.000 1.106 254 L CA 0.144 55.003 54.840 0.031 0.000 0.793 254 L CB -0.831 41.263 42.059 0.058 0.000 0.927 254 L HN 0.403 nan 8.230 nan 0.000 0.446 255 A N 0.444 123.288 122.820 0.039 0.000 2.409 255 A HA -0.023 4.291 4.320 -0.009 0.000 0.246 255 A C -0.031 177.573 177.584 0.035 0.000 1.099 255 A CA -0.309 51.757 52.037 0.048 0.000 0.789 255 A CB -0.068 18.960 19.000 0.046 0.000 1.053 255 A HN 0.293 nan 8.150 nan 0.000 0.503 256 D N -0.601 119.821 120.400 0.037 0.000 2.443 256 D HA 0.101 4.736 4.640 -0.009 0.000 0.234 256 D C 1.563 177.876 176.300 0.022 0.000 1.172 256 D CA 1.041 55.057 54.000 0.028 0.000 0.878 256 D CB 0.640 41.458 40.800 0.031 0.000 1.204 256 D HN 0.513 nan 8.370 nan 0.000 0.453 257 S N 1.470 117.180 115.700 0.016 0.000 2.447 257 S HA -0.144 4.320 4.470 -0.009 0.000 0.233 257 S C 0.876 175.484 174.600 0.012 0.000 1.006 257 S CA 0.606 58.813 58.200 0.012 0.000 0.957 257 S CB 0.138 63.343 63.200 0.009 0.000 0.773 257 S HN 0.506 nan 8.310 nan 0.000 0.507 258 D N 2.115 122.524 120.400 0.015 0.000 2.460 258 D HA 0.511 5.146 4.640 -0.009 0.000 0.229 258 D C 0.373 176.684 176.300 0.018 0.000 1.170 258 D CA 0.025 54.034 54.000 0.015 0.000 0.827 258 D CB 0.367 41.176 40.800 0.015 0.000 0.973 258 D HN 0.558 nan 8.370 nan 0.000 0.496 259 A N 1.019 123.851 122.820 0.020 0.000 2.445 259 A HA 0.450 4.764 4.320 -0.009 0.000 0.242 259 A C 0.555 178.149 177.584 0.018 0.000 1.075 259 A CA -0.301 51.751 52.037 0.025 0.000 0.777 259 A CB 0.150 19.169 19.000 0.031 0.000 1.013 259 A HN 0.348 nan 8.150 nan 0.000 0.493 260 I N -0.240 120.343 120.570 0.021 0.000 2.562 260 I HA 0.703 4.867 4.170 -0.009 0.000 0.301 260 I C -0.821 175.303 176.117 0.012 0.000 1.003 260 I CA -1.004 60.302 61.300 0.010 0.000 1.127 260 I CB 1.766 39.770 38.000 0.008 0.000 1.304 260 I HN 0.224 nan 8.210 nan 0.000 0.446 261 V N 6.318 126.226 119.914 -0.010 0.000 2.427 261 V HA 0.501 4.616 4.120 -0.009 0.000 0.286 261 V C 0.199 176.276 176.094 -0.027 0.000 1.034 261 V CA -0.410 61.881 62.300 -0.015 0.000 0.893 261 V CB 1.495 33.295 31.823 -0.038 0.000 0.982 261 V HN 0.561 nan 8.190 nan 0.000 0.452 262 L N 4.327 125.550 121.223 0.001 0.000 2.323 262 L HA 0.733 5.068 4.340 -0.009 0.000 0.265 262 L C -0.822 176.073 176.870 0.042 0.000 1.012 262 L CA -0.740 54.100 54.840 0.001 0.000 0.820 262 L CB 2.209 44.278 42.059 0.017 0.000 1.334 262 L HN 0.629 nan 8.230 nan 0.000 0.427 263 H N 0.367 119.387 119.070 -0.082 0.000 3.154 263 H HA 0.112 4.663 4.556 -0.009 0.000 0.330 263 H C 0.205 175.489 175.328 -0.073 0.000 1.033 263 H CA -1.006 54.998 56.048 -0.074 0.000 1.393 263 H CB 1.790 31.474 29.762 -0.129 0.000 1.951 263 H HN 0.870 nan 8.280 nan 0.000 0.466 264 C N 3.751 123.189 119.300 0.230 0.000 2.425 264 C HA 0.265 4.719 4.460 -0.009 0.000 0.277 264 C C 1.034 176.130 174.990 0.176 0.000 1.280 264 C CA 0.158 59.267 59.018 0.151 0.000 1.744 264 C CB -1.209 26.599 27.740 0.114 0.000 1.989 264 C HN 0.722 nan 8.230 nan 0.000 0.491 265 L N -1.151 120.257 121.223 0.307 0.000 0.585 265 L HA -0.040 4.295 4.340 -0.009 0.000 0.356 265 L C -2.526 174.409 176.870 0.107 0.000 1.005 265 L CA -0.214 54.662 54.840 0.060 0.000 1.223 265 L CB -1.062 40.983 42.059 -0.023 0.000 0.027 265 L HN 0.145 nan 8.230 nan 0.000 0.092 266 P HA 0.440 nan 4.420 nan 0.000 0.277 266 P C -0.985 176.264 177.300 -0.086 0.000 1.240 266 P CA -0.413 62.669 63.100 -0.029 0.000 0.798 266 P CB 1.431 33.123 31.700 -0.014 0.000 0.979 267 A N 1.890 124.562 122.820 -0.247 0.000 2.317 267 A HA 0.373 4.688 4.320 -0.009 0.000 0.327 267 A C -0.381 177.132 177.584 -0.118 0.000 1.178 267 A CA -0.450 51.374 52.037 -0.355 0.000 0.817 267 A CB 0.221 18.842 19.000 -0.631 0.000 1.189 267 A HN 0.650 nan 8.150 nan 0.000 0.489 268 H N 2.992 121.962 119.070 -0.167 0.000 2.787 268 H HA 0.278 4.829 4.556 -0.009 0.000 0.275 268 H C 0.066 175.281 175.328 -0.190 0.000 1.183 268 H CA -0.221 55.730 56.048 -0.162 0.000 1.290 268 H CB -0.164 29.489 29.762 -0.181 0.000 1.438 268 H HN 0.642 nan 8.280 nan 0.000 0.487 269 R N 1.562 122.113 120.500 0.084 0.000 2.537 269 R HA 0.251 4.586 4.340 -0.009 0.000 0.280 269 R C 1.155 177.466 176.300 0.017 0.000 1.058 269 R CA 0.950 57.051 56.100 0.001 0.000 1.057 269 R CB 0.547 30.842 30.300 -0.008 0.000 0.973 269 R HN 0.963 nan 8.270 nan 0.000 0.438 270 G N 1.889 110.651 108.800 -0.064 0.000 2.241 270 G HA2 -0.272 3.682 3.960 -0.009 0.000 0.244 270 G HA3 -0.272 3.682 3.960 -0.009 0.000 0.244 270 G C 0.225 175.022 174.900 -0.171 0.000 0.998 270 G CA 0.459 45.518 45.100 -0.069 0.000 0.621 270 G HN 0.609 nan 8.290 nan 0.000 0.519 271 D N 0.327 120.503 120.400 -0.373 0.000 2.541 271 D HA 0.152 4.787 4.640 -0.009 0.000 0.261 271 D C 2.358 178.113 176.300 -0.908 0.000 1.415 271 D CA 0.776 54.325 54.000 -0.752 0.000 1.059 271 D CB -0.421 39.650 40.800 -1.215 0.000 0.971 271 D HN 0.357 nan 8.370 nan 0.000 0.308 272 E N 0.842 120.322 120.200 -1.200 0.000 2.274 272 E HA -0.049 4.296 4.350 -0.009 0.000 0.194 272 E C 0.673 177.119 176.600 -0.257 0.000 0.996 272 E CA 0.517 56.433 56.400 -0.807 0.000 0.840 272 E CB 0.655 29.810 29.700 -0.908 0.000 0.772 272 E HN 0.354 nan 8.360 nan 0.000 0.491 273 I N 1.148 121.592 120.570 -0.210 0.000 2.827 273 I HA 0.172 4.337 4.170 -0.009 0.000 0.298 273 I C -0.855 175.204 176.117 -0.096 0.000 1.235 273 I CA -0.594 60.647 61.300 -0.100 0.000 1.021 273 I CB 2.278 40.271 38.000 -0.012 0.000 1.259 273 I HN 0.009 nan 8.210 nan 0.000 0.427 274 T N 0.994 115.505 114.554 -0.072 0.000 2.944 274 T HA 0.341 4.686 4.350 -0.009 0.000 0.284 274 T C 0.529 175.202 174.700 -0.045 0.000 1.010 274 T CA -0.622 61.446 62.100 -0.054 0.000 1.025 274 T CB 1.578 70.421 68.868 -0.041 0.000 1.079 274 T HN 0.512 nan 8.240 nan 0.000 0.516 275 D N 1.022 121.405 120.400 -0.028 0.000 2.092 275 D HA -0.102 4.532 4.640 -0.009 0.000 0.193 275 D C 2.449 178.741 176.300 -0.013 0.000 0.994 275 D CA 1.828 55.819 54.000 -0.015 0.000 0.828 275 D CB -0.867 39.932 40.800 -0.002 0.000 0.963 275 D HN 0.760 nan 8.370 nan 0.000 0.450 276 A N 0.828 123.640 122.820 -0.014 0.000 1.915 276 A HA -0.239 4.076 4.320 -0.009 0.000 0.220 276 A C 2.605 180.177 177.584 -0.021 0.000 1.198 276 A CA 2.125 54.154 52.037 -0.013 0.000 0.647 276 A CB -0.960 18.031 19.000 -0.014 0.000 0.825 276 A HN 0.185 nan 8.150 nan 0.000 0.456 277 V N -0.743 119.150 119.914 -0.035 0.000 2.283 277 V HA -0.270 3.845 4.120 -0.009 0.000 0.243 277 V C 2.579 178.639 176.094 -0.056 0.000 1.039 277 V CA 2.230 64.502 62.300 -0.047 0.000 1.016 277 V CB -0.634 31.152 31.823 -0.062 0.000 0.650 277 V HN 0.705 nan 8.190 nan 0.000 0.449 278 M N -0.006 119.554 119.600 -0.068 0.000 2.108 278 M HA -0.211 4.264 4.480 -0.009 0.000 0.261 278 M C 1.349 177.599 176.300 -0.082 0.000 1.066 278 M CA 2.005 57.239 55.300 -0.110 0.000 1.107 278 M CB -0.213 32.315 32.600 -0.121 0.000 1.356 278 M HN 0.294 nan 8.290 nan 0.000 0.406 279 D N 0.293 120.689 120.400 -0.007 0.000 2.349 279 D HA 0.178 4.813 4.640 -0.009 0.000 0.214 279 D C 0.765 177.091 176.300 0.043 0.000 1.063 279 D CA 0.344 54.379 54.000 0.060 0.000 0.847 279 D CB 0.019 40.864 40.800 0.076 0.000 0.933 279 D HN 0.439 nan 8.370 nan 0.000 0.513 280 G N 1.129 109.933 108.800 0.007 0.000 2.543 280 G HA2 0.294 4.249 3.960 -0.009 0.000 0.290 280 G HA3 0.294 4.249 3.960 -0.009 0.000 0.290 280 G C -1.661 173.243 174.900 0.007 0.000 1.310 280 G CA -0.810 44.294 45.100 0.007 0.000 1.025 280 G HN -0.126 nan 8.290 nan 0.000 0.502 281 P HA 0.078 nan 4.420 nan 0.000 0.225 281 P C 1.520 178.821 177.300 0.002 0.000 1.156 281 P CA 1.241 64.346 63.100 0.010 0.000 0.787 281 P CB 0.336 32.041 31.700 0.009 0.000 0.802 282 A N -0.781 122.035 122.820 -0.008 0.000 2.123 282 A HA 0.051 4.366 4.320 -0.009 0.000 0.214 282 A C 1.401 178.969 177.584 -0.027 0.000 1.152 282 A CA 0.258 52.287 52.037 -0.012 0.000 0.728 282 A CB -0.861 18.131 19.000 -0.013 0.000 0.814 282 A HN 0.200 nan 8.150 nan 0.000 0.464 283 S N 0.398 116.072 115.700 -0.044 0.000 2.498 283 S HA 0.406 4.871 4.470 -0.009 0.000 0.281 283 S C 0.704 175.242 174.600 -0.104 0.000 1.265 283 S CA 0.126 58.269 58.200 -0.095 0.000 1.071 283 S CB 0.649 63.767 63.200 -0.137 0.000 0.894 283 S HN 0.712 nan 8.310 nan 0.000 0.491 284 A N 5.104 127.860 122.820 -0.108 0.000 2.545 284 A HA 0.341 4.656 4.320 -0.009 0.000 0.277 284 A C 1.465 178.958 177.584 -0.151 0.000 1.301 284 A CA -0.304 51.683 52.037 -0.084 0.000 0.935 284 A CB -0.130 18.850 19.000 -0.034 0.000 1.093 284 A HN 0.713 nan 8.150 nan 0.000 0.519 285 V N -1.148 118.566 119.914 -0.333 0.000 2.295 285 V HA -0.277 3.838 4.120 -0.009 0.000 0.246 285 V C 2.115 177.955 176.094 -0.423 0.000 1.049 285 V CA 2.214 64.219 62.300 -0.491 0.000 1.024 285 V CB -0.694 30.660 31.823 -0.782 0.000 0.648 285 V HN 0.906 nan 8.190 nan 0.000 0.447 286 W N -0.221 121.070 121.300 -0.015 0.000 2.381 286 W HA -0.116 4.538 4.660 -0.009 0.000 0.301 286 W C 2.329 178.841 176.519 -0.011 0.000 1.205 286 W CA 0.636 57.968 57.345 -0.022 0.000 1.285 286 W CB -0.505 28.939 29.460 -0.026 0.000 1.133 286 W HN 0.215 nan 8.180 nan 0.000 0.521 287 D N 0.323 120.825 120.400 0.172 0.000 2.144 287 D HA -0.195 4.439 4.640 -0.009 0.000 0.200 287 D C 1.809 178.153 176.300 0.073 0.000 0.978 287 D CA 1.462 55.531 54.000 0.114 0.000 0.833 287 D CB -0.518 40.330 40.800 0.080 0.000 0.961 287 D HN 0.351 nan 8.370 nan 0.000 0.470 288 E N 0.683 120.900 120.200 0.028 0.000 2.077 288 E HA -0.176 4.168 4.350 -0.009 0.000 0.193 288 E C 2.000 178.609 176.600 0.015 0.000 0.989 288 E CA 1.044 57.449 56.400 0.007 0.000 0.800 288 E CB 0.059 29.742 29.700 -0.029 0.000 0.746 288 E HN 0.149 nan 8.360 nan 0.000 0.452 289 A N 1.409 124.252 122.820 0.038 0.000 1.877 289 A HA -0.262 4.053 4.320 -0.009 0.000 0.216 289 A C 2.091 179.687 177.584 0.020 0.000 1.186 289 A CA 1.814 53.881 52.037 0.051 0.000 0.620 289 A CB -0.703 18.369 19.000 0.122 0.000 0.822 289 A HN 0.501 nan 8.150 nan 0.000 0.443 290 E N -0.111 120.113 120.200 0.039 0.000 2.077 290 E HA -0.249 4.095 4.350 -0.009 0.000 0.193 290 E C 1.439 177.962 176.600 -0.129 0.000 0.989 290 E CA 1.457 57.844 56.400 -0.021 0.000 0.800 290 E CB -0.215 29.520 29.700 0.058 0.000 0.746 290 E HN 0.526 nan 8.360 nan 0.000 0.452 291 N N 0.610 119.300 118.700 -0.016 0.000 2.453 291 N HA -0.095 4.639 4.740 -0.009 0.000 0.183 291 N C 1.509 176.970 175.510 -0.082 0.000 1.041 291 N CA 0.446 53.507 53.050 0.018 0.000 0.900 291 N CB -0.195 38.341 38.487 0.081 0.000 0.961 291 N HN 0.159 nan 8.380 nan 0.000 0.443 292 R N 0.843 121.283 120.500 -0.099 0.000 2.133 292 R HA -0.182 4.153 4.340 -0.009 0.000 0.245 292 R C 2.041 178.205 176.300 -0.226 0.000 1.137 292 R CA 0.875 56.894 56.100 -0.136 0.000 0.947 292 R CB -1.317 28.933 30.300 -0.084 0.000 0.865 292 R HN 0.278 nan 8.270 nan 0.000 0.437 293 L N 0.879 121.934 121.223 -0.280 0.000 1.971 293 L HA -0.219 4.116 4.340 -0.009 0.000 0.215 293 L C 2.472 179.172 176.870 -0.282 0.000 1.072 293 L CA 1.990 56.633 54.840 -0.328 0.000 0.758 293 L CB -0.658 41.144 42.059 -0.428 0.000 0.889 293 L HN 0.257 nan 8.230 nan 0.000 0.433 294 H N -0.627 118.413 119.070 -0.051 0.000 2.395 294 H HA 0.090 4.640 4.556 -0.009 0.000 0.299 294 H C 2.139 177.430 175.328 -0.062 0.000 1.070 294 H CA 1.245 57.267 56.048 -0.042 0.000 1.356 294 H CB -0.676 29.070 29.762 -0.026 0.000 1.401 294 H HN 0.534 nan 8.280 nan 0.000 0.524 295 A N 1.307 124.133 122.820 0.011 0.000 1.872 295 A HA -0.165 4.150 4.320 -0.009 0.000 0.214 295 A C 2.398 179.924 177.584 -0.097 0.000 1.187 295 A CA 1.299 53.312 52.037 -0.040 0.000 0.614 295 A CB -0.492 18.477 19.000 -0.051 0.000 0.826 295 A HN 0.374 nan 8.150 nan 0.000 0.442 296 Q N -0.184 119.513 119.800 -0.172 0.000 2.135 296 Q HA -0.199 4.136 4.340 -0.009 0.000 0.204 296 Q C 2.051 177.992 176.000 -0.097 0.000 0.981 296 Q CA 1.897 57.560 55.803 -0.233 0.000 0.856 296 Q CB -0.206 28.123 28.738 -0.682 0.000 0.902 296 Q HN 0.638 nan 8.270 nan 0.000 0.425 297 K N 0.199 120.558 120.400 -0.069 0.000 2.057 297 K HA -0.121 4.194 4.320 -0.009 0.000 0.207 297 K C 2.110 178.730 176.600 0.034 0.000 1.049 297 K CA 1.175 57.469 56.287 0.011 0.000 0.931 297 K CB -0.178 32.341 32.500 0.031 0.000 0.714 297 K HN 0.172 nan 8.250 nan 0.000 0.440 298 A N 1.260 124.092 122.820 0.019 0.000 1.902 298 A HA -0.154 4.161 4.320 -0.009 0.000 0.217 298 A C 2.098 179.705 177.584 0.040 0.000 1.181 298 A CA 1.180 53.236 52.037 0.031 0.000 0.623 298 A CB -0.557 18.443 19.000 0.000 0.000 0.818 298 A HN 0.260 nan 8.150 nan 0.000 0.443 299 L N -0.877 120.325 121.223 -0.035 0.000 2.042 299 L HA -0.135 4.199 4.340 -0.009 0.000 0.210 299 L C 2.124 179.039 176.870 0.076 0.000 1.076 299 L CA 1.587 56.383 54.840 -0.073 0.000 0.749 299 L CB -0.420 41.498 42.059 -0.235 0.000 0.893 299 L HN 0.254 nan 8.230 nan 0.000 0.432 300 L N -1.170 120.109 121.223 0.093 0.000 2.027 300 L HA -0.123 4.212 4.340 -0.009 0.000 0.206 300 L C 2.618 179.554 176.870 0.109 0.000 1.074 300 L CA 1.503 56.418 54.840 0.125 0.000 0.745 300 L CB -1.247 40.898 42.059 0.143 0.000 0.898 300 L HN 0.122 nan 8.230 nan 0.000 0.433 301 V N -1.475 118.500 119.914 0.101 0.000 2.282 301 V HA -0.357 3.758 4.120 -0.009 0.000 0.249 301 V C 2.220 178.371 176.094 0.095 0.000 1.057 301 V CA 2.188 64.539 62.300 0.084 0.000 1.032 301 V CB -0.847 31.026 31.823 0.083 0.000 0.645 301 V HN 0.626 nan 8.190 nan 0.000 0.447 302 W N 0.150 121.429 121.300 -0.035 0.000 2.379 302 W HA -0.119 4.541 4.660 -0.000 0.000 0.307 302 W C 2.266 178.759 176.519 -0.042 0.000 1.200 302 W CA 1.562 58.881 57.345 -0.044 0.000 1.297 302 W CB -0.196 29.223 29.460 -0.068 0.000 1.140 302 W HN 0.124 nan 8.180 nan 0.000 0.507 303 L N 0.073 121.453 121.223 0.262 0.000 2.046 303 L HA -0.247 4.088 4.340 -0.009 0.000 0.208 303 L C 2.443 179.275 176.870 -0.063 0.000 1.077 303 L CA 1.169 56.073 54.840 0.107 0.000 0.747 303 L CB -0.962 41.197 42.059 0.167 0.000 0.896 303 L HN 0.078 nan 8.230 nan 0.000 0.432 304 L N -0.110 121.096 121.223 -0.028 0.000 2.093 304 L HA -0.190 4.145 4.340 -0.009 0.000 0.208 304 L C 2.624 179.435 176.870 -0.098 0.000 1.085 304 L CA 1.340 56.154 54.840 -0.044 0.000 0.755 304 L CB -0.549 41.507 42.059 -0.005 0.000 0.904 304 L HN 0.410 nan 8.230 nan 0.000 0.435 305 E N 0.199 120.313 120.200 -0.142 0.000 2.409 305 E HA -0.211 4.133 4.350 -0.009 0.000 0.198 305 E C 1.740 178.197 176.600 -0.240 0.000 1.024 305 E CA 0.766 57.061 56.400 -0.176 0.000 0.861 305 E CB -0.044 29.553 29.700 -0.173 0.000 0.788 305 E HN 0.424 nan 8.360 nan 0.000 0.521 306 R N 0.182 120.497 120.500 -0.307 0.000 2.472 306 R HA 0.268 4.602 4.340 -0.009 0.000 0.279 306 R C -0.288 175.891 176.300 -0.201 0.000 0.953 306 R CA -0.052 55.856 56.100 -0.319 0.000 1.088 306 R CB 1.018 30.991 30.300 -0.546 0.000 1.197 306 R HN -0.022 nan 8.270 nan 0.000 0.536 307 S N 0.000 115.609 115.700 -0.151 0.000 2.498 307 S HA 0.000 4.465 4.470 -0.009 0.000 0.327 307 S CA 0.000 58.133 58.200 -0.112 0.000 1.107 307 S CB 0.000 63.132 63.200 -0.114 0.000 0.593 307 S HN 0.000 nan 8.310 nan 0.000 0.517