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 3fxu_1_A DATA FIRST_RESID 1 DATA SEQUENCE MLKLQTLQAL ICIEEVGSLR AAAQLLHLSQ PALSAAIQQL EDELKAPLLV DATA SEQUENCE RTKRGVSLTS FGQAFMKHAR LIVTESRRAQ EEIGQLRGRW EGHITFAASP DATA SEQUENCE AIALAALPLA LASFAREFPD VTVNVRDGMY PAVSPQLRDG TLDFALTAAH DATA SEQUENCE KHDIDTDLEA QPLYVSDVVI VGQRQHPMAN ATRLAELQEC RWAFSSAPRG DATA SEQUENCE PGAIIRNAFA RYGLPEPKLG LVCESFLALP GVVAHSDLLT TMPRTLYERN DATA SEQUENCE AFKDQLCSIP LQDALPNPTI YVLRRHDLPV TPAAAGLIRW IQHHAL 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 0.000 176.313 176.300 0.022 0.000 1.140 1 M CA 0.000 55.312 55.300 0.019 0.000 0.988 1 M CB 0.000 32.613 32.600 0.021 0.000 1.302 2 L N 4.650 125.888 121.223 0.025 0.000 2.540 2 L HA 0.042 4.381 4.340 -0.001 0.000 0.276 2 L C 1.155 178.046 176.870 0.035 0.000 1.212 2 L CA 0.279 55.136 54.840 0.028 0.000 0.893 2 L CB 0.355 42.431 42.059 0.027 0.000 1.138 2 L HN 0.820 nan 8.230 nan 0.000 0.491 3 K N 2.184 122.607 120.400 0.038 0.000 2.103 3 K HA -0.219 4.101 4.320 -0.001 0.000 0.207 3 K C 1.739 178.375 176.600 0.060 0.000 1.048 3 K CA 1.145 57.463 56.287 0.053 0.000 0.930 3 K CB -0.117 32.417 32.500 0.057 0.000 0.716 3 K HN 0.442 nan 8.250 nan 0.000 0.444 4 L N 1.775 123.026 121.223 0.047 0.000 2.083 4 L HA -0.185 4.155 4.340 -0.001 0.000 0.209 4 L C 2.177 179.074 176.870 0.045 0.000 1.083 4 L CA 1.649 56.516 54.840 0.044 0.000 0.752 4 L CB -0.313 41.766 42.059 0.034 0.000 0.899 4 L HN 0.173 nan 8.230 nan 0.000 0.433 5 Q N -1.587 118.239 119.800 0.043 0.000 2.079 5 Q HA -0.178 4.162 4.340 -0.001 0.000 0.200 5 Q C 1.953 177.982 176.000 0.048 0.000 0.974 5 Q CA 2.134 57.962 55.803 0.042 0.000 0.840 5 Q CB -0.131 28.630 28.738 0.038 0.000 0.898 5 Q HN 0.517 nan 8.270 nan 0.000 0.430 6 T N 1.366 115.953 114.554 0.054 0.000 2.746 6 T HA -0.099 4.251 4.350 -0.001 0.000 0.267 6 T C 1.848 176.601 174.700 0.088 0.000 1.039 6 T CA 0.862 63.001 62.100 0.063 0.000 1.142 6 T CB -0.156 68.749 68.868 0.061 0.000 0.866 6 T HN 0.184 nan 8.240 nan 0.000 0.444 7 L N 0.692 121.974 121.223 0.100 0.000 2.027 7 L HA -0.135 4.205 4.340 -0.001 0.000 0.206 7 L C 2.905 179.820 176.870 0.074 0.000 1.074 7 L CA 1.433 56.340 54.840 0.112 0.000 0.745 7 L CB -0.759 41.353 42.059 0.089 0.000 0.898 7 L HN 0.305 nan 8.230 nan 0.000 0.433 8 Q N 0.109 119.942 119.800 0.055 0.000 2.077 8 Q HA -0.238 4.102 4.340 -0.001 0.000 0.206 8 Q C 2.449 178.475 176.000 0.043 0.000 0.989 8 Q CA 1.877 57.705 55.803 0.042 0.000 0.853 8 Q CB -0.366 28.395 28.738 0.037 0.000 0.907 8 Q HN 0.568 nan 8.270 nan 0.000 0.418 9 A N 0.814 123.662 122.820 0.047 0.000 1.908 9 A HA -0.184 4.136 4.320 -0.001 0.000 0.218 9 A C 2.090 179.703 177.584 0.048 0.000 1.181 9 A CA 1.214 53.276 52.037 0.041 0.000 0.627 9 A CB -0.743 18.280 19.000 0.039 0.000 0.818 9 A HN 0.305 nan 8.150 nan 0.000 0.445 10 L N -0.613 120.652 121.223 0.070 0.000 2.012 10 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 10 L C 2.511 179.424 176.870 0.071 0.000 1.073 10 L CA 1.455 56.346 54.840 0.086 0.000 0.748 10 L CB -0.485 41.662 42.059 0.146 0.000 0.891 10 L HN 0.404 nan 8.230 nan 0.000 0.431 11 I N -1.125 119.481 120.570 0.059 0.000 2.208 11 I HA -0.401 3.769 4.170 -0.001 0.000 0.245 11 I C 2.836 178.971 176.117 0.030 0.000 1.097 11 I CA 1.294 62.618 61.300 0.039 0.000 1.363 11 I CB -0.464 37.553 38.000 0.028 0.000 1.051 11 I HN 0.459 nan 8.210 nan 0.000 0.413 12 C N 1.245 120.562 119.300 0.029 0.000 2.429 12 C HA -0.148 4.312 4.460 -0.001 0.000 0.277 12 C C 2.768 177.770 174.990 0.019 0.000 1.262 12 C CA 0.746 59.776 59.018 0.020 0.000 1.733 12 C CB -0.891 26.859 27.740 0.017 0.000 2.010 12 C HN 0.399 nan 8.230 nan 0.000 0.483 13 I N 0.818 121.403 120.570 0.026 0.000 2.163 13 I HA -0.241 3.929 4.170 -0.001 0.000 0.243 13 I C 2.619 178.751 176.117 0.025 0.000 1.085 13 I CA 2.357 63.672 61.300 0.025 0.000 1.347 13 I CB -0.759 37.261 38.000 0.033 0.000 1.044 13 I HN 0.528 nan 8.210 nan 0.000 0.408 14 E N 1.104 121.323 120.200 0.032 0.000 2.118 14 E HA -0.319 4.030 4.350 -0.001 0.000 0.195 14 E C 2.091 178.703 176.600 0.019 0.000 0.992 14 E CA 1.804 58.221 56.400 0.028 0.000 0.804 14 E CB -0.069 29.651 29.700 0.033 0.000 0.741 14 E HN 0.555 nan 8.360 nan 0.000 0.458 15 E N -0.020 120.190 120.200 0.016 0.000 2.051 15 E HA -0.133 4.217 4.350 -0.001 0.000 0.189 15 E C 2.066 178.670 176.600 0.008 0.000 0.979 15 E CA 1.497 57.904 56.400 0.011 0.000 0.803 15 E CB 0.227 29.933 29.700 0.010 0.000 0.761 15 E HN 0.304 nan 8.360 nan 0.000 0.451 16 V N -3.032 116.886 119.914 0.007 0.000 3.650 16 V HA 0.439 4.559 4.120 -0.001 0.000 0.271 16 V C 1.253 177.350 176.094 0.004 0.000 1.281 16 V CA 0.691 62.993 62.300 0.004 0.000 1.120 16 V CB 0.194 32.016 31.823 -0.001 0.000 0.856 16 V HN 0.396 nan 8.190 nan 0.000 0.443 17 G N 0.358 109.162 108.800 0.008 0.000 2.143 17 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.249 17 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.249 17 G C 0.234 175.139 174.900 0.008 0.000 0.981 17 G CA 0.730 45.835 45.100 0.009 0.000 0.665 17 G HN 1.830 nan 8.290 nan 0.000 0.528 18 S N -1.475 114.229 115.700 0.007 0.000 2.543 18 S HA 0.560 5.030 4.470 -0.001 0.000 0.273 18 S C 0.731 175.335 174.600 0.006 0.000 1.152 18 S CA 0.270 58.473 58.200 0.005 0.000 0.910 18 S CB 1.442 64.643 63.200 0.001 0.000 1.105 18 S HN 1.194 nan 8.310 nan 0.000 0.465 19 L N 4.629 125.856 121.223 0.007 0.000 2.056 19 L HA 0.075 4.415 4.340 -0.001 0.000 0.207 19 L C 2.603 179.473 176.870 0.001 0.000 1.078 19 L CA 1.125 55.969 54.840 0.007 0.000 0.749 19 L CB -0.305 41.760 42.059 0.009 0.000 0.901 19 L HN 0.832 nan 8.230 nan 0.000 0.433 20 R N 0.059 120.558 120.500 -0.001 0.000 2.083 20 R HA -0.194 4.145 4.340 -0.001 0.000 0.237 20 R C 2.338 178.629 176.300 -0.014 0.000 1.137 20 R CA 1.539 57.635 56.100 -0.006 0.000 0.951 20 R CB -0.774 29.523 30.300 -0.005 0.000 0.851 20 R HN 0.544 nan 8.270 nan 0.000 0.434 21 A N 1.271 124.083 122.820 -0.013 0.000 1.933 21 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 21 A C 2.398 179.966 177.584 -0.027 0.000 1.175 21 A CA 1.648 53.673 52.037 -0.021 0.000 0.628 21 A CB -0.615 18.376 19.000 -0.014 0.000 0.814 21 A HN 0.420 nan 8.150 nan 0.000 0.444 22 A N 0.008 122.819 122.820 -0.015 0.000 1.858 22 A HA 0.133 4.453 4.320 -0.001 0.000 0.216 22 A C 2.547 180.118 177.584 -0.021 0.000 1.190 22 A CA 2.246 54.276 52.037 -0.012 0.000 0.617 22 A CB -1.170 17.832 19.000 0.004 0.000 0.827 22 A HN 1.108 nan 8.150 nan 0.000 0.443 23 A N -1.088 121.722 122.820 -0.017 0.000 1.908 23 A HA -0.233 4.087 4.320 -0.001 0.000 0.218 23 A C 2.165 179.717 177.584 -0.054 0.000 1.181 23 A CA 1.790 53.816 52.037 -0.018 0.000 0.627 23 A CB -0.547 18.448 19.000 -0.007 0.000 0.818 23 A HN 0.565 nan 8.150 nan 0.000 0.445 24 Q N -0.773 118.984 119.800 -0.073 0.000 2.050 24 Q HA -0.125 4.214 4.340 -0.001 0.000 0.202 24 Q C 2.250 178.101 176.000 -0.247 0.000 0.980 24 Q CA 1.413 57.137 55.803 -0.131 0.000 0.840 24 Q CB -0.523 28.161 28.738 -0.091 0.000 0.898 24 Q HN 0.725 nan 8.270 nan 0.000 0.424 25 L N 0.391 121.516 121.223 -0.164 0.000 2.042 25 L HA -0.156 4.184 4.340 -0.001 0.000 0.210 25 L C 1.961 178.723 176.870 -0.179 0.000 1.076 25 L CA 1.028 55.769 54.840 -0.165 0.000 0.749 25 L CB -0.047 41.970 42.059 -0.071 0.000 0.893 25 L HN 0.174 nan 8.230 nan 0.000 0.432 26 L N -1.557 119.606 121.223 -0.100 0.000 2.592 26 L HA 0.032 4.371 4.340 -0.001 0.000 0.227 26 L C 0.159 177.083 176.870 0.091 0.000 1.127 26 L CA -0.083 54.761 54.840 0.008 0.000 0.884 26 L CB -0.414 41.660 42.059 0.025 0.000 1.065 26 L HN 0.369 nan 8.230 nan 0.000 0.457 27 H N -0.850 118.226 119.070 0.011 0.000 2.756 27 H HA -0.146 4.410 4.556 -0.001 0.000 0.315 27 H C -0.457 174.877 175.328 0.010 0.000 1.210 27 H CA 0.207 56.261 56.048 0.010 0.000 1.150 27 H CB -1.879 27.889 29.762 0.009 0.000 1.463 27 H HN 0.225 nan 8.280 nan 0.000 0.427 28 L N -0.288 120.978 121.223 0.071 0.000 2.331 28 L HA 0.409 4.748 4.340 -0.001 0.000 0.275 28 L C 0.755 177.646 176.870 0.034 0.000 1.022 28 L CA -0.884 53.987 54.840 0.052 0.000 0.812 28 L CB 1.794 43.874 42.059 0.037 0.000 1.257 28 L HN 0.261 nan 8.230 nan 0.000 0.435 29 S N 0.988 116.707 115.700 0.031 0.000 2.537 29 S HA 0.027 4.497 4.470 -0.001 0.000 0.286 29 S C 0.859 175.467 174.600 0.014 0.000 1.299 29 S CA -0.116 58.097 58.200 0.022 0.000 1.067 29 S CB 0.874 64.086 63.200 0.020 0.000 0.864 29 S HN 0.733 nan 8.310 nan 0.000 0.494 30 Q N 4.016 123.822 119.800 0.009 0.000 2.020 30 Q HA -0.060 4.280 4.340 -0.001 0.000 0.202 30 Q C -0.682 175.321 176.000 0.006 0.000 0.982 30 Q CA 1.818 57.624 55.803 0.006 0.000 0.838 30 Q CB -0.975 27.765 28.738 0.002 0.000 0.899 30 Q HN 0.664 nan 8.270 nan 0.000 0.423 31 P HA -0.147 nan 4.420 nan 0.000 0.217 31 P C 0.744 178.048 177.300 0.006 0.000 1.150 31 P CA 1.801 64.904 63.100 0.005 0.000 0.832 31 P CB -0.099 31.604 31.700 0.005 0.000 0.787 32 A N -0.582 122.243 122.820 0.009 0.000 1.902 32 A HA -0.166 4.153 4.320 -0.001 0.000 0.217 32 A C 2.134 179.725 177.584 0.010 0.000 1.181 32 A CA 1.440 53.483 52.037 0.010 0.000 0.623 32 A CB -1.622 17.386 19.000 0.013 0.000 0.818 32 A HN 0.162 nan 8.150 nan 0.000 0.443 33 L N -0.198 121.032 121.223 0.012 0.000 2.027 33 L HA -0.072 4.267 4.340 -0.001 0.000 0.206 33 L C 2.592 179.467 176.870 0.008 0.000 1.074 33 L CA 2.575 57.422 54.840 0.013 0.000 0.745 33 L CB -0.872 41.196 42.059 0.014 0.000 0.898 33 L HN 0.351 nan 8.230 nan 0.000 0.433 34 S N -0.744 114.959 115.700 0.005 0.000 2.370 34 S HA -0.188 4.282 4.470 -0.001 0.000 0.226 34 S C 2.141 176.740 174.600 -0.002 0.000 1.033 34 S CA 1.335 59.536 58.200 0.002 0.000 1.011 34 S CB -0.463 62.738 63.200 0.001 0.000 0.852 34 S HN 0.645 nan 8.310 nan 0.000 0.457 35 A N 1.231 124.050 122.820 -0.001 0.000 1.898 35 A HA 0.267 4.587 4.320 -0.001 0.000 0.216 35 A C 2.483 180.063 177.584 -0.006 0.000 1.181 35 A CA 1.765 53.799 52.037 -0.004 0.000 0.620 35 A CB -1.374 17.625 19.000 -0.002 0.000 0.819 35 A HN 0.773 nan 8.150 nan 0.000 0.442 36 A N -0.077 122.742 122.820 -0.001 0.000 1.902 36 A HA -0.072 4.248 4.320 -0.001 0.000 0.217 36 A C 2.112 179.692 177.584 -0.008 0.000 1.181 36 A CA 1.526 53.563 52.037 0.000 0.000 0.623 36 A CB -0.598 18.409 19.000 0.011 0.000 0.818 36 A HN 0.485 nan 8.150 nan 0.000 0.443 37 I N -0.820 119.746 120.570 -0.007 0.000 2.179 37 I HA -0.304 3.866 4.170 -0.001 0.000 0.242 37 I C 2.793 178.887 176.117 -0.038 0.000 1.088 37 I CA 1.771 63.059 61.300 -0.019 0.000 1.357 37 I CB -0.318 37.678 38.000 -0.007 0.000 1.051 37 I HN 0.488 nan 8.210 nan 0.000 0.409 38 Q N 0.547 120.329 119.800 -0.029 0.000 2.096 38 Q HA -0.325 4.014 4.340 -0.001 0.000 0.204 38 Q C 2.227 178.200 176.000 -0.045 0.000 0.982 38 Q CA 2.110 57.891 55.803 -0.036 0.000 0.850 38 Q CB -0.065 28.658 28.738 -0.025 0.000 0.901 38 Q HN 0.495 nan 8.270 nan 0.000 0.422 39 Q N -0.109 119.669 119.800 -0.036 0.000 2.050 39 Q HA -0.206 4.134 4.340 -0.001 0.000 0.202 39 Q C 2.029 177.997 176.000 -0.054 0.000 0.980 39 Q CA 1.547 57.328 55.803 -0.037 0.000 0.840 39 Q CB -0.267 28.458 28.738 -0.023 0.000 0.898 39 Q HN 0.431 nan 8.270 nan 0.000 0.424 40 L N 1.009 122.195 121.223 -0.063 0.000 2.046 40 L HA -0.164 4.175 4.340 -0.001 0.000 0.208 40 L C 1.788 178.566 176.870 -0.153 0.000 1.077 40 L CA 2.044 56.823 54.840 -0.102 0.000 0.747 40 L CB -0.480 41.514 42.059 -0.109 0.000 0.896 40 L HN 0.307 nan 8.230 nan 0.000 0.432 41 E N -0.608 119.509 120.200 -0.139 0.000 2.077 41 E HA -0.222 4.128 4.350 -0.001 0.000 0.193 41 E C 1.802 178.322 176.600 -0.133 0.000 0.989 41 E CA 1.283 57.592 56.400 -0.153 0.000 0.800 41 E CB -0.187 29.444 29.700 -0.116 0.000 0.746 41 E HN 0.546 nan 8.360 nan 0.000 0.452 42 D N 0.857 121.198 120.400 -0.097 0.000 2.123 42 D HA -0.167 4.472 4.640 -0.001 0.000 0.196 42 D C 1.731 177.981 176.300 -0.083 0.000 0.992 42 D CA 1.110 55.061 54.000 -0.081 0.000 0.833 42 D CB -0.171 40.594 40.800 -0.058 0.000 0.954 42 D HN 0.286 nan 8.370 nan 0.000 0.455 43 E N 0.043 120.192 120.200 -0.084 0.000 2.072 43 E HA -0.059 4.291 4.350 -0.001 0.000 0.191 43 E C 2.234 178.778 176.600 -0.093 0.000 0.985 43 E CA 0.429 56.785 56.400 -0.075 0.000 0.801 43 E CB -0.059 29.604 29.700 -0.062 0.000 0.750 43 E HN 0.267 nan 8.360 nan 0.000 0.452 44 L N 0.422 121.563 121.223 -0.137 0.000 2.376 44 L HA -0.019 4.321 4.340 -0.001 0.000 0.219 44 L C 0.550 177.323 176.870 -0.162 0.000 1.133 44 L CA 0.422 55.167 54.840 -0.159 0.000 0.816 44 L CB -0.229 41.678 42.059 -0.253 0.000 0.933 44 L HN 0.067 nan 8.230 nan 0.000 0.449 45 K N -0.361 119.945 120.400 -0.156 0.000 3.071 45 K HA -0.177 4.143 4.320 -0.001 0.000 0.265 45 K C -0.219 176.223 176.600 -0.262 0.000 1.060 45 K CA 0.382 56.568 56.287 -0.167 0.000 0.767 45 K CB -1.460 30.964 32.500 -0.128 0.000 1.241 45 K HN 0.440 nan 8.250 nan 0.000 0.486 46 A N -0.090 122.549 122.820 -0.303 0.000 2.589 46 A HA 0.642 4.962 4.320 -0.001 0.000 0.296 46 A C -2.868 174.553 177.584 -0.272 0.000 1.062 46 A CA -1.298 50.465 52.037 -0.457 0.000 0.686 46 A CB 1.435 19.931 19.000 -0.840 0.000 1.282 46 A HN -0.075 nan 8.150 nan 0.000 0.404 47 P HA 0.444 nan 4.420 nan 0.000 0.279 47 P C 0.134 177.461 177.300 0.045 0.000 1.239 47 P CA -0.253 62.819 63.100 -0.046 0.000 0.789 47 P CB 0.917 32.623 31.700 0.011 0.000 0.933 48 L N 1.144 122.374 121.223 0.012 0.000 2.463 48 L HA 0.247 4.586 4.340 -0.001 0.000 0.219 48 L C 0.781 177.695 176.870 0.074 0.000 1.088 48 L CA 0.501 55.370 54.840 0.049 0.000 0.849 48 L CB -0.102 41.943 42.059 -0.023 0.000 1.012 48 L HN 0.256 nan 8.230 nan 0.000 0.468 49 L N -0.284 120.970 121.223 0.052 0.000 2.381 49 L HA 0.581 4.921 4.340 -0.001 0.000 0.268 49 L C -1.089 175.808 176.870 0.045 0.000 0.997 49 L CA -0.617 54.251 54.840 0.046 0.000 0.818 49 L CB 3.103 45.180 42.059 0.030 0.000 1.310 49 L HN -0.353 nan 8.230 nan 0.000 0.416 50 V N 3.098 123.036 119.914 0.040 0.000 2.604 50 V HA 0.535 4.654 4.120 -0.001 0.000 0.305 50 V C -0.305 175.803 176.094 0.023 0.000 1.043 50 V CA -0.658 61.662 62.300 0.033 0.000 0.888 50 V CB 2.143 33.987 31.823 0.035 0.000 0.995 50 V HN 0.652 nan 8.190 nan 0.000 0.429 51 R N 3.358 123.869 120.500 0.018 0.000 2.491 51 R HA 0.413 4.753 4.340 -0.001 0.000 0.283 51 R C 0.224 176.531 176.300 0.012 0.000 1.072 51 R CA 0.284 56.392 56.100 0.013 0.000 1.048 51 R CB 1.098 31.404 30.300 0.010 0.000 0.983 51 R HN 1.007 nan 8.270 nan 0.000 0.450 52 T N -2.221 112.339 114.554 0.010 0.000 2.883 52 T HA 0.280 4.629 4.350 -0.001 0.000 0.284 52 T C 1.174 175.878 174.700 0.006 0.000 1.041 52 T CA -0.917 61.187 62.100 0.008 0.000 1.007 52 T CB 1.724 70.596 68.868 0.007 0.000 1.220 52 T HN 0.480 nan 8.240 nan 0.000 0.552 53 K N -0.243 120.159 120.400 0.005 0.000 2.063 53 K HA -0.074 4.246 4.320 -0.001 0.000 0.208 53 K C 1.418 178.020 176.600 0.003 0.000 1.048 53 K CA 1.135 57.424 56.287 0.004 0.000 0.928 53 K CB 0.065 32.566 32.500 0.003 0.000 0.713 53 K HN 0.323 nan 8.250 nan 0.000 0.442 54 R N -0.598 119.905 120.500 0.004 0.000 2.509 54 R HA 0.283 4.622 4.340 -0.001 0.000 0.300 54 R C 0.331 176.633 176.300 0.004 0.000 0.985 54 R CA 0.466 56.568 56.100 0.003 0.000 1.092 54 R CB 1.249 31.550 30.300 0.002 0.000 1.237 54 R HN 0.402 nan 8.270 nan 0.000 0.546 55 G N -0.417 108.387 108.800 0.005 0.000 2.452 55 G HA2 0.224 4.184 3.960 -0.001 0.000 0.224 55 G HA3 0.224 4.184 3.960 -0.001 0.000 0.224 55 G C -1.541 173.365 174.900 0.009 0.000 1.208 55 G CA -0.061 45.043 45.100 0.006 0.000 0.946 55 G HN 0.011 nan 8.290 nan 0.000 0.481 56 V N -2.000 117.921 119.914 0.012 0.000 2.769 56 V HA 0.932 5.051 4.120 -0.001 0.000 0.312 56 V C -0.107 175.998 176.094 0.018 0.000 1.061 56 V CA -0.620 61.689 62.300 0.016 0.000 0.931 56 V CB 1.365 33.199 31.823 0.018 0.000 1.010 56 V HN 0.994 nan 8.190 nan 0.000 0.433 57 S N 2.755 118.467 115.700 0.021 0.000 2.607 57 S HA 0.738 5.207 4.470 -0.001 0.000 0.303 57 S C -0.338 174.281 174.600 0.033 0.000 1.086 57 S CA -0.773 57.440 58.200 0.022 0.000 0.995 57 S CB 1.605 64.815 63.200 0.016 0.000 1.084 57 S HN 0.753 nan 8.310 nan 0.000 0.507 58 L N 2.540 123.786 121.223 0.038 0.000 2.485 58 L HA 0.181 4.520 4.340 -0.001 0.000 0.275 58 L C 1.343 178.240 176.870 0.044 0.000 1.207 58 L CA -0.299 54.574 54.840 0.054 0.000 0.855 58 L CB 0.110 42.206 42.059 0.061 0.000 1.114 58 L HN 0.793 nan 8.230 nan 0.000 0.485 59 T N -1.441 113.153 114.554 0.066 0.000 2.732 59 T HA 0.075 4.424 4.350 -0.001 0.000 0.287 59 T C 1.361 176.047 174.700 -0.022 0.000 0.993 59 T CA -0.239 61.889 62.100 0.045 0.000 0.966 59 T CB 0.956 69.916 68.868 0.153 0.000 1.047 59 T HN 0.726 nan 8.240 nan 0.000 0.527 60 S N 0.517 116.111 115.700 -0.176 0.000 2.359 60 S HA -0.168 4.302 4.470 -0.001 0.000 0.224 60 S C 1.747 176.206 174.600 -0.234 0.000 1.035 60 S CA 1.195 59.225 58.200 -0.283 0.000 1.018 60 S CB -1.248 61.655 63.200 -0.495 0.000 0.876 60 S HN 0.656 nan 8.310 nan 0.000 0.448 61 F N 2.793 122.770 119.950 0.045 0.000 2.134 61 F HA 0.155 4.682 4.527 -0.000 0.000 0.299 61 F C 2.944 178.809 175.800 0.108 0.000 1.097 61 F CA 0.633 58.670 58.000 0.063 0.000 1.264 61 F CB -1.413 37.602 39.000 0.025 0.000 1.001 61 F HN 0.369 nan 8.300 nan 0.000 0.479 62 G N -0.971 107.981 108.800 0.254 0.000 2.432 62 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.219 62 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.219 62 G C 1.521 176.549 174.900 0.213 0.000 1.135 62 G CA 0.747 45.985 45.100 0.229 0.000 0.767 62 G HN 0.288 nan 8.290 nan 0.000 0.550 63 Q N 0.359 120.234 119.800 0.125 0.000 2.061 63 Q HA 0.033 4.373 4.340 -0.001 0.000 0.204 63 Q C 2.812 178.868 176.000 0.093 0.000 0.984 63 Q CA 2.023 57.872 55.803 0.077 0.000 0.846 63 Q CB -0.434 28.316 28.738 0.021 0.000 0.902 63 Q HN 0.421 nan 8.270 nan 0.000 0.421 64 A N -0.745 122.155 122.820 0.133 0.000 1.897 64 A HA -0.139 4.181 4.320 -0.001 0.000 0.215 64 A C 1.934 179.665 177.584 0.245 0.000 1.181 64 A CA 1.182 53.309 52.037 0.150 0.000 0.620 64 A CB -0.900 18.211 19.000 0.184 0.000 0.821 64 A HN 0.526 nan 8.150 nan 0.000 0.443 65 F N -0.187 119.870 119.950 0.179 0.000 2.134 65 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 65 F C 2.142 178.042 175.800 0.166 0.000 1.097 65 F CA 2.160 60.290 58.000 0.217 0.000 1.264 65 F CB -0.224 38.862 39.000 0.144 0.000 1.001 65 F HN 0.257 nan 8.300 nan 0.000 0.479 66 M N 0.937 120.614 119.600 0.128 0.000 2.149 66 M HA -0.213 4.267 4.480 -0.001 0.000 0.261 66 M C 1.944 178.180 176.300 -0.106 0.000 1.064 66 M CA 1.772 57.074 55.300 0.004 0.000 1.102 66 M CB -0.617 32.021 32.600 0.064 0.000 1.369 66 M HN 0.062 nan 8.290 nan 0.000 0.408 67 K N -1.180 119.141 120.400 -0.132 0.000 2.063 67 K HA -0.197 4.123 4.320 -0.001 0.000 0.208 67 K C 2.007 178.428 176.600 -0.298 0.000 1.048 67 K CA 1.611 57.764 56.287 -0.222 0.000 0.928 67 K CB -0.560 31.769 32.500 -0.286 0.000 0.713 67 K HN 0.558 nan 8.250 nan 0.000 0.442 68 H N 0.044 118.988 119.070 -0.210 0.000 2.363 68 H HA 0.031 4.586 4.556 -0.000 0.000 0.301 68 H C 2.239 177.380 175.328 -0.312 0.000 1.074 68 H CA 1.238 57.133 56.048 -0.256 0.000 1.354 68 H CB -0.188 29.379 29.762 -0.325 0.000 1.397 68 H HN 0.248 nan 8.280 nan 0.000 0.516 69 A N 1.763 124.379 122.820 -0.341 0.000 1.908 69 A HA -0.218 4.102 4.320 -0.001 0.000 0.218 69 A C 2.518 180.034 177.584 -0.114 0.000 1.181 69 A CA 1.557 53.431 52.037 -0.272 0.000 0.627 69 A CB -0.477 18.373 19.000 -0.250 0.000 0.818 69 A HN 0.313 nan 8.150 nan 0.000 0.445 70 R N -0.786 119.656 120.500 -0.097 0.000 2.075 70 R HA -0.011 4.329 4.340 -0.001 0.000 0.232 70 R C 2.089 178.360 176.300 -0.049 0.000 1.126 70 R CA 1.399 57.465 56.100 -0.057 0.000 0.963 70 R CB -0.493 29.775 30.300 -0.053 0.000 0.858 70 R HN 0.513 nan 8.270 nan 0.000 0.435 71 L N 0.325 121.511 121.223 -0.061 0.000 2.083 71 L HA -0.195 4.144 4.340 -0.001 0.000 0.209 71 L C 2.284 179.139 176.870 -0.025 0.000 1.083 71 L CA 1.269 56.085 54.840 -0.040 0.000 0.752 71 L CB -0.312 41.723 42.059 -0.041 0.000 0.899 71 L HN 0.185 nan 8.230 nan 0.000 0.433 72 I N -1.359 119.191 120.570 -0.032 0.000 2.252 72 I HA -0.231 3.938 4.170 -0.001 0.000 0.245 72 I C 2.371 178.482 176.117 -0.010 0.000 1.102 72 I CA 0.824 62.112 61.300 -0.019 0.000 1.385 72 I CB -0.196 37.787 38.000 -0.029 0.000 1.064 72 I HN -0.029 nan 8.210 nan 0.000 0.414 73 V N 0.373 120.279 119.914 -0.013 0.000 2.307 73 V HA -0.274 3.846 4.120 -0.001 0.000 0.245 73 V C 2.507 178.601 176.094 0.001 0.000 1.045 73 V CA 2.455 64.755 62.300 -0.000 0.000 1.024 73 V CB -0.894 30.930 31.823 0.002 0.000 0.651 73 V HN 0.457 nan 8.190 nan 0.000 0.449 74 T N -0.562 113.989 114.554 -0.005 0.000 2.684 74 T HA -0.243 4.107 4.350 -0.001 0.000 0.267 74 T C 1.925 176.625 174.700 0.000 0.000 1.036 74 T CA 1.877 63.975 62.100 -0.003 0.000 1.148 74 T CB -0.228 68.636 68.868 -0.008 0.000 0.863 74 T HN 0.448 nan 8.240 nan 0.000 0.436 75 E N 1.132 121.331 120.200 -0.001 0.000 2.077 75 E HA -0.084 4.266 4.350 -0.001 0.000 0.193 75 E C 2.414 179.017 176.600 0.006 0.000 0.989 75 E CA 1.251 57.652 56.400 0.002 0.000 0.800 75 E CB -0.368 29.333 29.700 0.001 0.000 0.746 75 E HN 0.374 nan 8.360 nan 0.000 0.452 76 S N 0.095 115.799 115.700 0.007 0.000 2.370 76 S HA -0.195 4.275 4.470 -0.001 0.000 0.226 76 S C 1.930 176.538 174.600 0.013 0.000 1.033 76 S CA 1.332 59.538 58.200 0.011 0.000 1.011 76 S CB -0.326 62.882 63.200 0.013 0.000 0.852 76 S HN 0.275 nan 8.310 nan 0.000 0.457 77 R N 1.200 121.707 120.500 0.012 0.000 2.073 77 R HA -0.003 4.336 4.340 -0.001 0.000 0.234 77 R C 2.449 178.758 176.300 0.014 0.000 1.134 77 R CA 1.203 57.312 56.100 0.014 0.000 0.952 77 R CB -0.138 30.170 30.300 0.013 0.000 0.850 77 R HN 0.273 nan 8.270 nan 0.000 0.433 78 R N -0.103 120.404 120.500 0.011 0.000 2.096 78 R HA -0.093 4.247 4.340 -0.001 0.000 0.235 78 R C 2.329 178.637 176.300 0.012 0.000 1.127 78 R CA 1.457 57.564 56.100 0.011 0.000 0.968 78 R CB -0.311 29.993 30.300 0.008 0.000 0.861 78 R HN 0.290 nan 8.270 nan 0.000 0.440 79 A N 0.946 123.773 122.820 0.011 0.000 1.877 79 A HA -0.201 4.119 4.320 -0.001 0.000 0.216 79 A C 2.039 179.632 177.584 0.015 0.000 1.186 79 A CA 1.176 53.219 52.037 0.011 0.000 0.620 79 A CB -0.366 18.640 19.000 0.010 0.000 0.822 79 A HN 0.237 nan 8.150 nan 0.000 0.443 80 Q N -0.246 119.564 119.800 0.018 0.000 2.096 80 Q HA -0.229 4.110 4.340 -0.001 0.000 0.204 80 Q C 1.936 177.951 176.000 0.026 0.000 0.982 80 Q CA 1.866 57.683 55.803 0.023 0.000 0.850 80 Q CB -0.387 28.365 28.738 0.023 0.000 0.901 80 Q HN 0.815 nan 8.270 nan 0.000 0.422 81 E N 0.710 120.925 120.200 0.024 0.000 2.051 81 E HA -0.191 4.159 4.350 -0.001 0.000 0.192 81 E C 2.020 178.637 176.600 0.028 0.000 0.991 81 E CA 0.809 57.224 56.400 0.026 0.000 0.799 81 E CB -0.023 29.690 29.700 0.022 0.000 0.748 81 E HN 0.371 nan 8.360 nan 0.000 0.449 82 E N 0.479 120.693 120.200 0.023 0.000 2.051 82 E HA -0.198 4.152 4.350 -0.001 0.000 0.192 82 E C 2.094 178.710 176.600 0.028 0.000 0.991 82 E CA 0.766 57.179 56.400 0.023 0.000 0.799 82 E CB 0.122 29.831 29.700 0.015 0.000 0.748 82 E HN 0.125 nan 8.360 nan 0.000 0.449 83 I N 0.985 121.570 120.570 0.025 0.000 2.208 83 I HA -0.180 3.989 4.170 -0.001 0.000 0.245 83 I C 2.558 178.706 176.117 0.052 0.000 1.097 83 I CA 1.544 62.861 61.300 0.029 0.000 1.363 83 I CB -1.795 36.218 38.000 0.022 0.000 1.051 83 I HN 0.210 nan 8.210 nan 0.000 0.413 84 G N 0.305 109.137 108.800 0.052 0.000 2.440 84 G HA2 -0.248 3.711 3.960 -0.001 0.000 0.218 84 G HA3 -0.248 3.711 3.960 -0.001 0.000 0.218 84 G C 1.516 176.461 174.900 0.074 0.000 1.154 84 G CA 0.337 45.475 45.100 0.064 0.000 0.767 84 G HN 0.388 nan 8.290 nan 0.000 0.552 85 Q N -0.067 119.771 119.800 0.063 0.000 2.050 85 Q HA 0.014 4.353 4.340 -0.001 0.000 0.202 85 Q C 2.799 178.853 176.000 0.090 0.000 0.980 85 Q CA 0.874 56.719 55.803 0.069 0.000 0.840 85 Q CB -0.339 28.431 28.738 0.053 0.000 0.898 85 Q HN 0.493 nan 8.270 nan 0.000 0.424 86 L N 0.055 121.326 121.223 0.080 0.000 2.109 86 L HA -0.119 4.221 4.340 -0.001 0.000 0.207 86 L C 2.753 179.717 176.870 0.157 0.000 1.086 86 L CA 0.908 55.802 54.840 0.090 0.000 0.760 86 L CB -0.366 41.716 42.059 0.038 0.000 0.910 86 L HN 0.160 nan 8.230 nan 0.000 0.437 87 R N 0.286 120.884 120.500 0.163 0.000 2.073 87 R HA -0.105 4.234 4.340 -0.001 0.000 0.229 87 R C 2.244 178.711 176.300 0.277 0.000 1.120 87 R CA 1.279 57.544 56.100 0.276 0.000 0.967 87 R CB -0.402 30.034 30.300 0.226 0.000 0.862 87 R HN 0.359 nan 8.270 nan 0.000 0.436 88 G N 0.713 109.620 108.800 0.179 0.000 2.440 88 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.218 88 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.218 88 G C 1.465 176.459 174.900 0.156 0.000 1.154 88 G CA 0.602 45.783 45.100 0.136 0.000 0.767 88 G HN 0.322 nan 8.290 nan 0.000 0.552 89 R N -1.477 119.149 120.500 0.210 0.000 2.090 89 R HA -0.031 4.309 4.340 -0.001 0.000 0.228 89 R C 2.226 178.755 176.300 0.381 0.000 1.110 89 R CA 1.047 57.318 56.100 0.285 0.000 0.973 89 R CB -0.324 30.114 30.300 0.229 0.000 0.869 89 R HN 0.532 nan 8.270 nan 0.000 0.440 90 W N 2.134 123.515 121.300 0.135 0.000 2.378 90 W HA -0.099 4.560 4.660 -0.001 0.000 0.313 90 W C 1.372 177.962 176.519 0.118 0.000 1.197 90 W CA 1.249 58.667 57.345 0.121 0.000 1.304 90 W CB -0.102 29.406 29.460 0.080 0.000 1.148 90 W HN -0.021 nan 8.180 nan 0.000 0.494 91 E N -0.970 119.248 120.200 0.030 0.000 2.274 91 E HA -0.030 4.319 4.350 -0.001 0.000 0.194 91 E C 2.180 178.704 176.600 -0.127 0.000 0.996 91 E CA 0.893 57.178 56.400 -0.193 0.000 0.840 91 E CB -0.518 29.143 29.700 -0.064 0.000 0.772 91 E HN 0.371 nan 8.360 nan 0.000 0.491 92 G N 0.147 108.891 108.800 -0.093 0.000 2.920 92 G HA2 -0.056 3.903 3.960 -0.001 0.000 0.208 92 G HA3 -0.056 3.903 3.960 -0.001 0.000 0.208 92 G C -0.025 174.525 174.900 -0.584 0.000 1.159 92 G CA 0.175 45.097 45.100 -0.297 0.000 0.784 92 G HN 0.199 nan 8.290 nan 0.000 0.535 93 H N -1.510 117.570 119.070 0.016 0.000 2.930 93 H HA 0.624 5.180 4.556 -0.001 0.000 0.371 93 H C -1.014 174.315 175.328 0.001 0.000 1.169 93 H CA -0.751 55.315 56.048 0.031 0.000 1.157 93 H CB 2.182 31.969 29.762 0.043 0.000 1.789 93 H HN -0.026 nan 8.280 nan 0.000 0.547 94 I N 1.636 122.293 120.570 0.145 0.000 2.498 94 I HA 0.388 4.558 4.170 -0.001 0.000 0.290 94 I C -0.660 175.512 176.117 0.090 0.000 1.032 94 I CA -0.433 60.924 61.300 0.096 0.000 1.073 94 I CB 2.285 40.331 38.000 0.078 0.000 1.251 94 I HN 0.554 nan 8.210 nan 0.000 0.426 95 T N 6.373 120.953 114.554 0.044 0.000 2.840 95 T HA 0.685 5.035 4.350 -0.001 0.000 0.287 95 T C -0.784 173.852 174.700 -0.107 0.000 0.991 95 T CA -0.497 61.581 62.100 -0.037 0.000 0.964 95 T CB 0.893 69.739 68.868 -0.035 0.000 0.954 95 T HN 0.436 nan 8.240 nan 0.000 0.438 96 F N 0.564 120.272 119.950 -0.404 0.000 2.662 96 F HA 0.913 5.439 4.527 -0.001 0.000 0.312 96 F C -0.957 174.643 175.800 -0.333 0.000 1.113 96 F CA -1.715 55.918 58.000 -0.612 0.000 0.951 96 F CB 0.845 38.950 39.000 -1.492 0.000 1.344 96 F HN 0.616 nan 8.300 nan 0.000 0.462 97 A N 1.401 124.104 122.820 -0.194 0.000 2.312 97 A HA 0.931 5.251 4.320 -0.001 0.000 0.328 97 A C -0.876 176.750 177.584 0.070 0.000 1.158 97 A CA -0.258 51.691 52.037 -0.147 0.000 0.821 97 A CB 0.739 19.724 19.000 -0.025 0.000 1.170 97 A HN 1.765 nan 8.150 nan 0.000 0.490 98 A N 1.309 124.134 122.820 0.007 0.000 2.393 98 A HA 0.717 5.037 4.320 -0.001 0.000 0.306 98 A C 0.209 177.850 177.584 0.094 0.000 1.050 98 A CA 0.069 52.197 52.037 0.151 0.000 0.724 98 A CB 0.971 20.110 19.000 0.232 0.000 1.248 98 A HN 1.921 nan 8.150 nan 0.000 0.424 99 S N 2.314 118.084 115.700 0.116 0.000 2.645 99 S HA 0.505 4.975 4.470 -0.001 0.000 0.266 99 S C -1.905 172.724 174.600 0.049 0.000 1.258 99 S CA -0.840 57.416 58.200 0.092 0.000 0.990 99 S CB 0.642 63.903 63.200 0.102 0.000 0.967 99 S HN 0.352 nan 8.310 nan 0.000 0.556 100 P HA -0.053 nan 4.420 nan 0.000 0.215 100 P C 1.629 178.894 177.300 -0.058 0.000 1.153 100 P CA 2.026 65.099 63.100 -0.044 0.000 0.853 100 P CB -0.318 31.264 31.700 -0.197 0.000 0.788 101 A N -0.935 121.842 122.820 -0.071 0.000 1.883 101 A HA -0.205 4.115 4.320 -0.001 0.000 0.217 101 A C 2.108 179.668 177.584 -0.039 0.000 1.186 101 A CA 1.776 53.779 52.037 -0.056 0.000 0.624 101 A CB -1.653 17.324 19.000 -0.037 0.000 0.822 101 A HN 0.104 nan 8.150 nan 0.000 0.444 102 I N 0.015 120.583 120.570 -0.003 0.000 2.163 102 I HA -0.197 3.972 4.170 -0.001 0.000 0.240 102 I C 2.895 179.030 176.117 0.030 0.000 1.081 102 I CA 1.302 62.614 61.300 0.019 0.000 1.353 102 I CB -0.472 37.580 38.000 0.086 0.000 1.054 102 I HN 0.282 nan 8.210 nan 0.000 0.407 103 A N 0.156 123.001 122.820 0.042 0.000 2.032 103 A HA -0.165 4.155 4.320 -0.001 0.000 0.221 103 A C 2.250 179.840 177.584 0.011 0.000 1.165 103 A CA 1.701 53.759 52.037 0.036 0.000 0.645 103 A CB -0.820 18.196 19.000 0.027 0.000 0.807 103 A HN 0.470 nan 8.150 nan 0.000 0.453 104 L N -3.039 118.180 121.223 -0.007 0.000 2.513 104 L HA 0.236 4.575 4.340 -0.001 0.000 0.222 104 L C 2.202 179.057 176.870 -0.026 0.000 1.096 104 L CA 0.619 55.449 54.840 -0.016 0.000 0.857 104 L CB 0.068 42.115 42.059 -0.021 0.000 1.026 104 L HN 0.458 nan 8.230 nan 0.000 0.469 105 A N -0.872 121.926 122.820 -0.036 0.000 1.876 105 A HA 0.429 4.748 4.320 -0.001 0.000 0.193 105 A C 2.056 179.611 177.584 -0.049 0.000 1.883 105 A CA 0.699 52.708 52.037 -0.047 0.000 1.052 105 A CB -0.629 18.330 19.000 -0.067 0.000 1.049 105 A HN 0.067 nan 8.150 nan 0.000 0.615 106 A N -0.173 122.618 122.820 -0.049 0.000 1.873 106 A HA 0.073 4.393 4.320 -0.001 0.000 0.215 106 A C 2.091 179.672 177.584 -0.005 0.000 1.186 106 A CA 1.776 53.806 52.037 -0.011 0.000 0.616 106 A CB -0.807 18.186 19.000 -0.011 0.000 0.823 106 A HN 0.727 nan 8.150 nan 0.000 0.442 107 L N 0.474 121.710 121.223 0.022 0.000 1.990 107 L HA -0.100 4.240 4.340 -0.001 0.000 0.213 107 L C -0.661 176.212 176.870 0.005 0.000 1.072 107 L CA 2.543 57.416 54.840 0.055 0.000 0.755 107 L CB -1.176 40.947 42.059 0.107 0.000 0.889 107 L HN 0.166 nan 8.230 nan 0.000 0.432 108 P HA -0.205 nan 4.420 nan 0.000 0.215 108 P C 2.128 179.362 177.300 -0.110 0.000 1.157 108 P CA 1.674 64.747 63.100 -0.046 0.000 0.874 108 P CB -0.050 31.624 31.700 -0.044 0.000 0.790 109 L N -1.622 119.485 121.223 -0.193 0.000 2.156 109 L HA -0.098 4.242 4.340 -0.001 0.000 0.208 109 L C 2.401 178.933 176.870 -0.563 0.000 1.095 109 L CA 1.241 55.840 54.840 -0.403 0.000 0.770 109 L CB -0.891 40.853 42.059 -0.526 0.000 0.914 109 L HN -0.052 nan 8.230 nan 0.000 0.439 110 A N -0.077 122.542 122.820 -0.335 0.000 1.929 110 A HA -0.114 4.206 4.320 -0.001 0.000 0.216 110 A C 2.210 179.784 177.584 -0.016 0.000 1.176 110 A CA 1.072 53.089 52.037 -0.034 0.000 0.628 110 A CB -0.489 18.619 19.000 0.181 0.000 0.816 110 A HN 0.334 nan 8.150 nan 0.000 0.444 111 L N -0.780 120.435 121.223 -0.013 0.000 2.056 111 L HA -0.185 4.154 4.340 -0.001 0.000 0.207 111 L C 3.116 180.016 176.870 0.049 0.000 1.078 111 L CA 1.017 55.899 54.840 0.070 0.000 0.749 111 L CB -0.563 41.534 42.059 0.064 0.000 0.901 111 L HN 0.441 nan 8.230 nan 0.000 0.433 112 A N -0.403 122.375 122.820 -0.070 0.000 1.877 112 A HA -0.208 4.112 4.320 -0.001 0.000 0.216 112 A C 2.503 179.949 177.584 -0.229 0.000 1.186 112 A CA 2.227 54.196 52.037 -0.114 0.000 0.620 112 A CB -0.691 18.236 19.000 -0.121 0.000 0.822 112 A HN 0.389 nan 8.150 nan 0.000 0.443 113 S N -0.963 114.491 115.700 -0.411 0.000 2.368 113 S HA -0.132 4.338 4.470 -0.001 0.000 0.225 113 S C 1.669 175.676 174.600 -0.988 0.000 1.030 113 S CA 1.404 59.087 58.200 -0.862 0.000 0.999 113 S CB -0.570 61.735 63.200 -1.491 0.000 0.844 113 S HN 0.656 nan 8.310 nan 0.000 0.459 114 F N 2.832 122.270 119.950 -0.852 0.000 2.126 114 F HA -0.140 4.387 4.527 -0.001 0.000 0.299 114 F C 2.260 178.049 175.800 -0.018 0.000 1.096 114 F CA 1.135 58.955 58.000 -0.300 0.000 1.255 114 F CB -0.673 38.329 39.000 0.004 0.000 0.997 114 F HN 0.173 nan 8.300 nan 0.000 0.479 115 A N 0.565 123.266 122.820 -0.199 0.000 1.969 115 A HA -0.122 4.198 4.320 -0.001 0.000 0.218 115 A C 2.342 179.781 177.584 -0.241 0.000 1.169 115 A CA 1.378 53.283 52.037 -0.220 0.000 0.635 115 A CB -0.697 18.290 19.000 -0.023 0.000 0.810 115 A HN 0.470 nan 8.150 nan 0.000 0.445 116 R N -0.851 119.508 120.500 -0.236 0.000 2.115 116 R HA -0.110 4.230 4.340 -0.001 0.000 0.230 116 R C 2.208 178.374 176.300 -0.223 0.000 1.111 116 R CA 1.500 57.481 56.100 -0.199 0.000 0.976 116 R CB -0.123 30.066 30.300 -0.184 0.000 0.870 116 R HN 0.768 nan 8.270 nan 0.000 0.445 117 E N -0.448 119.590 120.200 -0.270 0.000 2.086 117 E HA -0.052 4.298 4.350 -0.001 0.000 0.190 117 E C -0.390 175.808 176.600 -0.670 0.000 0.975 117 E CA 0.586 56.759 56.400 -0.379 0.000 0.813 117 E CB 0.344 29.928 29.700 -0.194 0.000 0.768 117 E HN 0.105 nan 8.360 nan 0.000 0.457 118 F N 0.450 120.136 119.950 -0.441 0.000 2.389 118 F HA 0.323 4.849 4.527 -0.001 0.000 0.327 118 F C -2.063 173.493 175.800 -0.407 0.000 1.204 118 F CA -2.122 55.606 58.000 -0.454 0.000 1.209 118 F CB 1.472 40.086 39.000 -0.642 0.000 1.460 118 F HN 0.012 nan 8.300 nan 0.000 0.537 119 P HA -0.101 nan 4.420 nan 0.000 0.221 119 P C 0.550 177.822 177.300 -0.046 0.000 1.150 119 P CA 1.233 64.273 63.100 -0.100 0.000 0.800 119 P CB 0.284 31.930 31.700 -0.090 0.000 0.787 120 D N -0.913 119.472 120.400 -0.025 0.000 2.370 120 D HA 0.088 4.727 4.640 -0.001 0.000 0.230 120 D C -0.125 176.166 176.300 -0.016 0.000 1.143 120 D CA 0.260 54.252 54.000 -0.013 0.000 0.834 120 D CB 0.180 40.974 40.800 -0.009 0.000 0.944 120 D HN 0.038 nan 8.370 nan 0.000 0.504 121 V N 0.804 120.729 119.914 0.018 0.000 2.448 121 V HA 0.235 4.355 4.120 -0.001 0.000 0.295 121 V C 0.459 176.624 176.094 0.119 0.000 1.025 121 V CA -0.662 61.671 62.300 0.055 0.000 0.859 121 V CB 2.096 34.026 31.823 0.178 0.000 0.988 121 V HN -0.088 nan 8.190 nan 0.000 0.431 122 T N 4.668 119.244 114.554 0.037 0.000 2.817 122 T HA 0.498 4.848 4.350 -0.001 0.000 0.293 122 T C -0.119 174.681 174.700 0.166 0.000 0.964 122 T CA -0.160 62.014 62.100 0.123 0.000 1.085 122 T CB 1.259 70.240 68.868 0.189 0.000 0.921 122 T HN 0.382 nan 8.240 nan 0.000 0.502 123 V N 4.171 124.179 119.914 0.156 0.000 2.513 123 V HA 0.505 4.625 4.120 -0.001 0.000 0.299 123 V C 0.084 176.211 176.094 0.055 0.000 1.035 123 V CA -0.988 61.382 62.300 0.116 0.000 0.889 123 V CB 1.820 33.707 31.823 0.106 0.000 0.988 123 V HN 0.791 nan 8.190 nan 0.000 0.440 124 N N 3.225 121.924 118.700 -0.002 0.000 2.623 124 N HA 0.243 4.983 4.740 -0.001 0.000 0.256 124 N C -1.293 174.040 175.510 -0.295 0.000 1.045 124 N CA -0.149 52.844 53.050 -0.094 0.000 0.863 124 N CB 1.824 40.277 38.487 -0.058 0.000 1.182 124 N HN 0.486 nan 8.380 nan 0.000 0.523 125 V N 4.460 124.155 119.914 -0.365 0.000 2.364 125 V HA 0.454 4.574 4.120 -0.001 0.000 0.272 125 V C 0.160 175.991 176.094 -0.439 0.000 1.036 125 V CA -0.636 61.252 62.300 -0.687 0.000 0.880 125 V CB 0.420 31.884 31.823 -0.597 0.000 0.991 125 V HN 0.559 nan 8.190 nan 0.000 0.460 126 R N 4.587 124.801 120.500 -0.476 0.000 2.457 126 R HA 0.344 4.683 4.340 -0.001 0.000 0.284 126 R C -0.385 175.789 176.300 -0.211 0.000 1.024 126 R CA -0.744 55.196 56.100 -0.266 0.000 1.025 126 R CB 0.863 31.029 30.300 -0.224 0.000 1.063 126 R HN 0.725 nan 8.270 nan 0.000 0.493 127 D N 1.160 121.493 120.400 -0.112 0.000 2.424 127 D HA 0.279 4.919 4.640 -0.001 0.000 0.244 127 D C -0.298 175.986 176.300 -0.027 0.000 1.134 127 D CA 1.073 55.045 54.000 -0.047 0.000 0.881 127 D CB 1.535 42.328 40.800 -0.011 0.000 1.191 127 D HN 0.717 nan 8.370 nan 0.000 0.445 128 G N 1.087 109.896 108.800 0.015 0.000 2.691 128 G HA2 0.488 4.447 3.960 -0.001 0.000 0.298 128 G HA3 0.488 4.447 3.960 -0.001 0.000 0.298 128 G C -1.320 173.638 174.900 0.096 0.000 1.471 128 G CA -0.693 44.432 45.100 0.042 0.000 0.912 128 G HN 0.243 nan 8.290 nan 0.000 0.553 129 M N 0.880 120.546 119.600 0.110 0.000 2.550 129 M HA 0.462 4.942 4.480 -0.001 0.000 0.292 129 M C -0.685 175.717 176.300 0.170 0.000 1.221 129 M CA -0.755 54.639 55.300 0.158 0.000 0.873 129 M CB 2.377 35.078 32.600 0.167 0.000 1.727 129 M HN 0.595 nan 8.290 nan 0.000 0.459 130 Y N 3.319 123.672 120.300 0.088 0.000 2.411 130 Y HA 0.338 4.887 4.550 -0.001 0.000 0.333 130 Y C -1.568 174.374 175.900 0.070 0.000 1.186 130 Y CA -0.798 57.347 58.100 0.077 0.000 1.381 130 Y CB 0.973 39.484 38.460 0.085 0.000 1.273 130 Y HN 0.462 nan 8.280 nan 0.000 0.546 131 P HA 0.198 nan 4.420 nan 0.000 0.266 131 P C 0.318 177.375 177.300 -0.406 0.000 1.381 131 P CA 0.548 63.081 63.100 -0.945 0.000 0.940 131 P CB 0.325 31.482 31.700 -0.904 0.000 1.435 132 A N 0.953 123.669 122.820 -0.174 0.000 1.933 132 A HA -0.124 4.196 4.320 -0.001 0.000 0.218 132 A C 2.040 179.587 177.584 -0.061 0.000 1.175 132 A CA 2.094 54.078 52.037 -0.089 0.000 0.628 132 A CB -1.527 17.453 19.000 -0.035 0.000 0.814 132 A HN 0.197 nan 8.150 nan 0.000 0.444 133 V N -3.138 116.761 119.914 -0.024 0.000 3.217 133 V HA -0.058 4.061 4.120 -0.001 0.000 0.264 133 V C 2.094 178.213 176.094 0.040 0.000 1.135 133 V CA 1.953 64.274 62.300 0.034 0.000 1.142 133 V CB -0.833 31.054 31.823 0.106 0.000 0.754 133 V HN 0.389 nan 8.190 nan 0.000 0.484 134 S N 1.845 117.519 115.700 -0.043 0.000 2.359 134 S HA -0.089 4.381 4.470 -0.001 0.000 0.223 134 S C 0.470 175.082 174.600 0.019 0.000 1.039 134 S CA 2.387 60.583 58.200 -0.007 0.000 1.042 134 S CB -1.107 61.964 63.200 -0.214 0.000 0.915 134 S HN 0.705 nan 8.310 nan 0.000 0.439 135 P HA -0.048 nan 4.420 nan 0.000 0.218 135 P C 1.154 178.464 177.300 0.016 0.000 1.152 135 P CA 1.141 64.242 63.100 0.001 0.000 0.826 135 P CB -0.202 31.488 31.700 -0.017 0.000 0.790 136 Q N -0.586 119.222 119.800 0.013 0.000 2.135 136 Q HA -0.132 4.208 4.340 -0.001 0.000 0.204 136 Q C 2.187 178.210 176.000 0.039 0.000 0.981 136 Q CA 0.980 56.794 55.803 0.018 0.000 0.856 136 Q CB -0.728 28.014 28.738 0.007 0.000 0.902 136 Q HN 0.131 nan 8.270 nan 0.000 0.425 137 L N 0.174 121.433 121.223 0.059 0.000 2.201 137 L HA -0.106 4.234 4.340 -0.001 0.000 0.212 137 L C 2.162 179.083 176.870 0.086 0.000 1.105 137 L CA 1.525 56.418 54.840 0.088 0.000 0.775 137 L CB -0.096 42.038 42.059 0.124 0.000 0.913 137 L HN -0.024 nan 8.230 nan 0.000 0.440 138 R N -0.248 120.294 120.500 0.069 0.000 2.127 138 R HA -0.071 4.269 4.340 -0.001 0.000 0.217 138 R C 1.680 178.012 176.300 0.054 0.000 1.074 138 R CA 1.362 57.500 56.100 0.063 0.000 0.991 138 R CB -0.153 30.178 30.300 0.050 0.000 0.895 138 R HN 0.616 nan 8.270 nan 0.000 0.450 139 D N -2.802 117.625 120.400 0.045 0.000 2.327 139 D HA 0.152 4.791 4.640 -0.001 0.000 0.205 139 D C 1.111 177.439 176.300 0.047 0.000 0.989 139 D CA 0.921 54.944 54.000 0.039 0.000 0.873 139 D CB 0.286 41.102 40.800 0.027 0.000 0.955 139 D HN 0.247 nan 8.370 nan 0.000 0.515 140 G N -0.573 108.262 108.800 0.059 0.000 2.318 140 G HA2 -0.274 3.686 3.960 -0.001 0.000 0.172 140 G HA3 -0.274 3.686 3.960 -0.001 0.000 0.172 140 G C 1.250 176.195 174.900 0.074 0.000 1.002 140 G CA 0.610 45.755 45.100 0.075 0.000 0.697 140 G HN 0.473 nan 8.290 nan 0.000 0.483 141 T N -0.251 114.333 114.554 0.050 0.000 2.674 141 T HA 0.214 4.564 4.350 -0.001 0.000 0.265 141 T C 1.398 176.117 174.700 0.031 0.000 1.039 141 T CA 0.956 63.077 62.100 0.034 0.000 1.150 141 T CB -0.051 68.826 68.868 0.014 0.000 0.864 141 T HN 0.373 nan 8.240 nan 0.000 0.427 142 L N 2.391 123.632 121.223 0.030 0.000 2.331 142 L HA 0.264 4.603 4.340 -0.001 0.000 0.278 142 L C 0.840 177.748 176.870 0.063 0.000 1.106 142 L CA -0.640 54.210 54.840 0.017 0.000 0.824 142 L CB 1.059 43.126 42.059 0.013 0.000 1.142 142 L HN 0.116 nan 8.230 nan 0.000 0.443 143 D N 2.721 123.153 120.400 0.053 0.000 2.162 143 D HA 0.016 4.655 4.640 -0.001 0.000 0.203 143 D C -0.066 176.410 176.300 0.293 0.000 0.967 143 D CA 1.332 55.429 54.000 0.162 0.000 0.840 143 D CB 0.229 41.137 40.800 0.179 0.000 0.972 143 D HN 0.357 nan 8.370 nan 0.000 0.482 144 F N -1.456 118.564 119.950 0.116 0.000 2.713 144 F HA 0.703 5.230 4.527 -0.001 0.000 0.311 144 F C -1.758 174.144 175.800 0.171 0.000 1.141 144 F CA -1.795 56.267 58.000 0.105 0.000 0.939 144 F CB 1.157 40.175 39.000 0.031 0.000 1.325 144 F HN -0.171 nan 8.300 nan 0.000 0.453 145 A N 1.777 124.797 122.820 0.334 0.000 2.401 145 A HA 0.862 5.182 4.320 -0.001 0.000 0.310 145 A C -1.825 175.969 177.584 0.349 0.000 1.075 145 A CA -0.911 51.288 52.037 0.269 0.000 0.746 145 A CB 1.624 20.749 19.000 0.208 0.000 1.277 145 A HN 0.855 nan 8.150 nan 0.000 0.425 146 L N 2.436 123.855 121.223 0.326 0.000 2.316 146 L HA 0.684 5.024 4.340 -0.001 0.000 0.280 146 L C -0.251 176.744 176.870 0.208 0.000 1.006 146 L CA -0.304 54.700 54.840 0.273 0.000 0.836 146 L CB 1.675 43.910 42.059 0.293 0.000 1.221 146 L HN 0.947 nan 8.230 nan 0.000 0.418 147 T N -0.353 114.312 114.554 0.186 0.000 2.957 147 T HA 0.641 4.991 4.350 -0.001 0.000 0.336 147 T C -0.371 174.420 174.700 0.151 0.000 1.462 147 T CA -0.741 61.460 62.100 0.168 0.000 1.073 147 T CB 1.643 70.635 68.868 0.207 0.000 1.319 147 T HN 0.537 nan 8.240 nan 0.000 0.485 148 A N 1.273 124.164 122.820 0.118 0.000 2.531 148 A HA 0.690 5.009 4.320 -0.001 0.000 0.236 148 A C 0.665 178.323 177.584 0.124 0.000 1.062 148 A CA 0.211 52.300 52.037 0.088 0.000 0.760 148 A CB -0.719 18.314 19.000 0.054 0.000 0.995 148 A HN 2.080 nan 8.150 nan 0.000 0.501 149 A N 1.892 124.785 122.820 0.121 0.000 2.608 149 A HA 0.604 4.924 4.320 -0.001 0.000 0.292 149 A C -1.038 176.524 177.584 -0.037 0.000 1.066 149 A CA -0.787 51.267 52.037 0.027 0.000 0.676 149 A CB 0.519 19.401 19.000 -0.197 0.000 1.277 149 A HN 0.960 nan 8.150 nan 0.000 0.413 150 H N 1.260 120.317 119.070 -0.022 0.000 2.668 150 H HA 0.319 4.875 4.556 -0.001 0.000 0.303 150 H C 1.122 176.308 175.328 -0.237 0.000 1.074 150 H CA 0.038 56.036 56.048 -0.083 0.000 1.406 150 H CB 1.616 31.348 29.762 -0.051 0.000 1.442 150 H HN 0.729 nan 8.280 nan 0.000 0.482 151 K N 2.036 122.270 120.400 -0.276 0.000 2.089 151 K HA -0.218 4.102 4.320 -0.001 0.000 0.210 151 K C 0.727 177.184 176.600 -0.238 0.000 1.048 151 K CA 1.831 57.862 56.287 -0.426 0.000 0.926 151 K CB -0.210 32.063 32.500 -0.379 0.000 0.714 151 K HN 0.804 nan 8.250 nan 0.000 0.448 152 H N -1.180 117.877 119.070 -0.022 0.000 2.547 152 H HA 0.082 4.638 4.556 -0.001 0.000 0.266 152 H C 0.613 175.941 175.328 -0.001 0.000 0.988 152 H CA 0.320 56.359 56.048 -0.014 0.000 1.147 152 H CB 0.345 30.111 29.762 0.006 0.000 1.365 152 H HN 0.250 nan 8.280 nan 0.000 0.589 153 D N 0.683 121.128 120.400 0.075 0.000 2.301 153 D HA 0.037 4.677 4.640 -0.001 0.000 0.206 153 D C 0.544 176.906 176.300 0.103 0.000 0.979 153 D CA 0.227 54.292 54.000 0.108 0.000 0.874 153 D CB 0.288 41.189 40.800 0.168 0.000 0.968 153 D HN 0.314 nan 8.370 nan 0.000 0.510 154 I N 2.252 122.779 120.570 -0.071 0.000 2.662 154 I HA -0.067 4.102 4.170 -0.001 0.000 0.285 154 I C 0.054 176.189 176.117 0.030 0.000 1.161 154 I CA -0.079 61.137 61.300 -0.140 0.000 1.415 154 I CB 0.127 37.928 38.000 -0.332 0.000 1.385 154 I HN -0.219 nan 8.210 nan 0.000 0.552 155 D N 4.285 124.774 120.400 0.147 0.000 2.658 155 D HA -0.087 4.553 4.640 -0.001 0.000 0.230 155 D C 1.571 177.901 176.300 0.050 0.000 1.118 155 D CA 0.625 54.690 54.000 0.109 0.000 0.848 155 D CB 0.666 41.548 40.800 0.138 0.000 1.160 155 D HN 0.724 nan 8.370 nan 0.000 0.497 156 T N -0.898 113.673 114.554 0.029 0.000 2.869 156 T HA -0.238 4.112 4.350 -0.001 0.000 0.270 156 T C 1.052 175.745 174.700 -0.011 0.000 1.082 156 T CA 1.070 63.170 62.100 0.000 0.000 1.123 156 T CB -0.032 68.831 68.868 -0.009 0.000 0.856 156 T HN 0.272 nan 8.240 nan 0.000 0.499 157 D N 0.503 120.912 120.400 0.016 0.000 2.340 157 D HA 0.292 4.932 4.640 -0.001 0.000 0.220 157 D C 0.027 176.375 176.300 0.080 0.000 1.039 157 D CA 0.124 54.140 54.000 0.026 0.000 0.866 157 D CB -0.035 40.788 40.800 0.038 0.000 0.913 157 D HN 0.443 nan 8.370 nan 0.000 0.523 158 L N 0.943 122.211 121.223 0.074 0.000 2.295 158 L HA 0.337 4.677 4.340 -0.001 0.000 0.285 158 L C 0.486 177.407 176.870 0.084 0.000 1.035 158 L CA -0.742 54.154 54.840 0.094 0.000 0.806 158 L CB 1.852 43.962 42.059 0.085 0.000 1.214 158 L HN -0.089 nan 8.230 nan 0.000 0.426 159 E N 2.172 122.443 120.200 0.119 0.000 2.343 159 E HA 0.566 4.916 4.350 -0.001 0.000 0.269 159 E C -0.963 175.662 176.600 0.042 0.000 1.047 159 E CA -0.518 55.941 56.400 0.100 0.000 0.874 159 E CB 1.351 31.115 29.700 0.106 0.000 1.033 159 E HN 0.656 nan 8.360 nan 0.000 0.409 160 A N 4.680 127.508 122.820 0.013 0.000 2.385 160 A HA 0.307 4.627 4.320 -0.001 0.000 0.290 160 A C -1.254 176.394 177.584 0.106 0.000 1.094 160 A CA -0.818 51.215 52.037 -0.007 0.000 0.729 160 A CB 1.488 20.335 19.000 -0.254 0.000 1.194 160 A HN 0.529 nan 8.150 nan 0.000 0.442 161 Q N 2.254 122.158 119.800 0.174 0.000 2.331 161 Q HA 0.397 4.737 4.340 -0.001 0.000 0.267 161 Q C -2.727 173.393 176.000 0.200 0.000 1.006 161 Q CA -2.100 53.802 55.803 0.166 0.000 0.818 161 Q CB 2.032 30.803 28.738 0.056 0.000 1.276 161 Q HN 0.426 nan 8.270 nan 0.000 0.450 162 P HA -0.055 nan 4.420 nan 0.000 0.261 162 P C 0.165 177.395 177.300 -0.116 0.000 1.183 162 P CA 0.126 63.117 63.100 -0.183 0.000 0.761 162 P CB 0.570 32.184 31.700 -0.143 0.000 0.785 163 L N 4.747 125.883 121.223 -0.146 0.000 2.349 163 L HA 0.401 4.740 4.340 -0.001 0.000 0.200 163 L C -0.177 176.732 176.870 0.066 0.000 1.064 163 L CA 1.073 55.897 54.840 -0.026 0.000 0.821 163 L CB -0.040 42.020 42.059 0.002 0.000 1.027 163 L HN 0.299 nan 8.230 nan 0.000 0.476 164 Y N -1.594 118.611 120.300 -0.157 0.000 2.565 164 Y HA 0.492 5.041 4.550 -0.001 0.000 0.330 164 Y C -1.407 174.399 175.900 -0.157 0.000 1.150 164 Y CA -1.354 56.672 58.100 -0.124 0.000 1.055 164 Y CB 1.360 39.774 38.460 -0.076 0.000 1.337 164 Y HN -0.343 nan 8.280 nan 0.000 0.457 165 V N 5.258 124.870 119.914 -0.503 0.000 2.364 165 V HA 0.412 4.531 4.120 -0.001 0.000 0.272 165 V C -0.022 175.859 176.094 -0.355 0.000 1.036 165 V CA -0.150 61.930 62.300 -0.366 0.000 0.880 165 V CB 0.832 32.459 31.823 -0.327 0.000 0.991 165 V HN 0.769 nan 8.190 nan 0.000 0.460 166 S N 3.606 119.247 115.700 -0.097 0.000 2.693 166 S HA 0.563 5.032 4.470 -0.001 0.000 0.276 166 S C -0.671 173.929 174.600 0.001 0.000 1.192 166 S CA -0.822 57.403 58.200 0.042 0.000 0.994 166 S CB 1.675 64.929 63.200 0.090 0.000 1.012 166 S HN 0.606 nan 8.310 nan 0.000 0.550 167 D N 0.296 120.724 120.400 0.046 0.000 2.248 167 D HA 0.579 5.218 4.640 -0.001 0.000 0.246 167 D C -0.415 175.904 176.300 0.031 0.000 1.027 167 D CA -0.396 53.621 54.000 0.030 0.000 0.853 167 D CB 1.816 42.643 40.800 0.045 0.000 1.243 167 D HN 0.632 nan 8.370 nan 0.000 0.462 168 V N -0.583 119.346 119.914 0.025 0.000 2.815 168 V HA 0.894 5.014 4.120 -0.001 0.000 0.314 168 V C -0.209 175.898 176.094 0.021 0.000 1.064 168 V CA -0.886 61.432 62.300 0.030 0.000 0.952 168 V CB 1.612 33.461 31.823 0.044 0.000 1.020 168 V HN 0.363 nan 8.190 nan 0.000 0.439 169 V N 1.321 121.242 119.914 0.012 0.000 2.876 169 V HA 0.687 4.807 4.120 -0.001 0.000 0.312 169 V C -0.429 175.654 176.094 -0.019 0.000 1.085 169 V CA -0.842 61.433 62.300 -0.042 0.000 0.945 169 V CB 1.721 33.450 31.823 -0.157 0.000 1.017 169 V HN 0.905 nan 8.190 nan 0.000 0.428 170 I N 3.258 123.817 120.570 -0.019 0.000 2.395 170 I HA 0.565 4.734 4.170 -0.001 0.000 0.289 170 I C -0.426 175.642 176.117 -0.082 0.000 1.023 170 I CA -0.384 60.943 61.300 0.046 0.000 1.350 170 I CB 1.623 39.697 38.000 0.124 0.000 1.409 170 I HN 0.488 nan 8.210 nan 0.000 0.507 171 V N 5.056 124.938 119.914 -0.052 0.000 2.789 171 V HA 0.855 4.975 4.120 -0.001 0.000 0.311 171 V C 0.232 176.264 176.094 -0.104 0.000 1.073 171 V CA -0.455 61.791 62.300 -0.090 0.000 0.921 171 V CB 1.803 33.635 31.823 0.016 0.000 1.009 171 V HN 0.924 nan 8.190 nan 0.000 0.426 172 G N 2.353 111.089 108.800 -0.106 0.000 2.725 172 G HA2 0.608 4.568 3.960 -0.001 0.000 0.288 172 G HA3 0.608 4.568 3.960 -0.001 0.000 0.288 172 G C -0.992 173.915 174.900 0.012 0.000 1.399 172 G CA -0.792 44.231 45.100 -0.130 0.000 0.859 172 G HN 0.815 nan 8.290 nan 0.000 0.479 173 Q N -0.292 119.546 119.800 0.064 0.000 2.428 173 Q HA 0.211 4.550 4.340 -0.001 0.000 0.276 173 Q C 1.381 177.429 176.000 0.079 0.000 1.059 173 Q CA -0.005 55.834 55.803 0.060 0.000 0.923 173 Q CB 1.170 29.928 28.738 0.034 0.000 1.283 173 Q HN 0.600 nan 8.270 nan 0.000 0.447 174 R N 1.179 121.714 120.500 0.057 0.000 2.159 174 R HA -0.194 4.146 4.340 -0.001 0.000 0.237 174 R C 0.628 176.961 176.300 0.054 0.000 1.131 174 R CA 1.903 58.040 56.100 0.061 0.000 0.982 174 R CB 0.211 30.540 30.300 0.048 0.000 0.868 174 R HN 0.839 nan 8.270 nan 0.000 0.453 175 Q N -0.508 119.316 119.800 0.040 0.000 2.201 175 Q HA 0.062 4.401 4.340 -0.001 0.000 0.236 175 Q C -0.672 175.341 176.000 0.022 0.000 0.857 175 Q CA -0.315 55.502 55.803 0.024 0.000 1.025 175 Q CB 0.607 29.344 28.738 -0.002 0.000 1.124 175 Q HN 0.285 nan 8.270 nan 0.000 0.473 176 H N 1.844 120.897 119.070 -0.029 0.000 3.001 176 H HA -0.016 4.540 4.556 -0.001 0.000 0.334 176 H C -1.652 173.653 175.328 -0.038 0.000 1.034 176 H CA -0.816 55.206 56.048 -0.044 0.000 1.420 176 H CB 1.145 30.870 29.762 -0.061 0.000 1.405 176 H HN 0.055 nan 8.280 nan 0.000 0.593 177 P HA -0.122 nan 4.420 nan 0.000 0.219 177 P C 0.752 178.096 177.300 0.073 0.000 1.146 177 P CA 1.251 64.300 63.100 -0.084 0.000 0.808 177 P CB 0.205 31.800 31.700 -0.174 0.000 0.779 178 M N -1.906 117.869 119.600 0.293 0.000 2.475 178 M HA 0.274 4.754 4.480 -0.001 0.000 0.261 178 M C 1.521 177.879 176.300 0.097 0.000 1.177 178 M CA -0.366 55.041 55.300 0.178 0.000 0.979 178 M CB -0.831 31.863 32.600 0.157 0.000 1.482 178 M HN -0.186 nan 8.290 nan 0.000 0.484 179 A N 0.514 123.398 122.820 0.106 0.000 1.978 179 A HA -0.129 4.191 4.320 -0.001 0.000 0.220 179 A C 1.772 179.367 177.584 0.019 0.000 1.170 179 A CA 1.617 53.680 52.037 0.044 0.000 0.636 179 A CB -0.456 18.579 19.000 0.058 0.000 0.810 179 A HN 0.502 nan 8.150 nan 0.000 0.448 180 N N 0.190 118.904 118.700 0.024 0.000 2.398 180 N HA 0.235 4.974 4.740 -0.001 0.000 0.188 180 N C 0.452 175.966 175.510 0.008 0.000 1.122 180 N CA 0.679 53.738 53.050 0.014 0.000 0.866 180 N CB -0.339 38.157 38.487 0.015 0.000 0.970 180 N HN 0.477 nan 8.380 nan 0.000 0.462 181 A N 0.373 123.198 122.820 0.008 0.000 2.498 181 A HA 0.241 4.561 4.320 -0.001 0.000 0.239 181 A C 1.302 178.880 177.584 -0.011 0.000 1.068 181 A CA 0.381 52.419 52.037 0.002 0.000 0.766 181 A CB 0.171 19.175 19.000 0.007 0.000 1.003 181 A HN 0.355 nan 8.150 nan 0.000 0.497 182 T N -1.003 113.541 114.554 -0.018 0.000 3.003 182 T HA 0.312 4.662 4.350 -0.001 0.000 0.261 182 T C 0.519 175.189 174.700 -0.051 0.000 1.003 182 T CA -0.248 61.836 62.100 -0.027 0.000 0.917 182 T CB 0.189 69.046 68.868 -0.018 0.000 1.084 182 T HN 0.532 nan 8.240 nan 0.000 0.522 183 R N 0.470 120.932 120.500 -0.064 0.000 2.750 183 R HA 0.548 4.888 4.340 -0.001 0.000 0.281 183 R C 0.358 176.568 176.300 -0.150 0.000 0.972 183 R CA -1.157 54.873 56.100 -0.118 0.000 0.912 183 R CB 1.624 31.869 30.300 -0.091 0.000 1.187 183 R HN 0.028 nan 8.270 nan 0.000 0.464 184 L N 2.563 123.615 121.223 -0.285 0.000 2.083 184 L HA -0.083 4.256 4.340 -0.001 0.000 0.209 184 L C 1.978 178.656 176.870 -0.321 0.000 1.083 184 L CA 2.242 56.888 54.840 -0.324 0.000 0.752 184 L CB -0.588 41.116 42.059 -0.591 0.000 0.899 184 L HN 0.893 nan 8.230 nan 0.000 0.433 185 A N -0.903 121.749 122.820 -0.280 0.000 1.986 185 A HA -0.270 4.049 4.320 -0.001 0.000 0.220 185 A C 2.100 179.639 177.584 -0.074 0.000 1.171 185 A CA 1.942 53.869 52.037 -0.183 0.000 0.640 185 A CB -0.632 18.304 19.000 -0.107 0.000 0.811 185 A HN 0.603 nan 8.150 nan 0.000 0.451 186 E N -0.642 119.531 120.200 -0.044 0.000 2.516 186 E HA 0.025 4.375 4.350 -0.001 0.000 0.199 186 E C 0.881 177.521 176.600 0.067 0.000 1.069 186 E CA 0.301 56.707 56.400 0.011 0.000 0.876 186 E CB -0.105 29.599 29.700 0.005 0.000 0.843 186 E HN 0.663 nan 8.360 nan 0.000 0.530 187 L N 0.121 121.413 121.223 0.115 0.000 2.728 187 L HA 0.113 4.453 4.340 -0.001 0.000 0.238 187 L C 1.718 178.867 176.870 0.464 0.000 1.143 187 L CA -0.021 54.985 54.840 0.277 0.000 0.937 187 L CB 0.101 42.420 42.059 0.433 0.000 1.225 187 L HN 0.047 nan 8.230 nan 0.000 0.507 188 Q N 0.445 120.444 119.800 0.331 0.000 2.226 188 Q HA -0.160 4.179 4.340 -0.001 0.000 0.204 188 Q C 1.369 177.571 176.000 0.336 0.000 0.975 188 Q CA 1.075 57.132 55.803 0.423 0.000 0.866 188 Q CB 0.193 29.064 28.738 0.222 0.000 0.915 188 Q HN 0.415 nan 8.270 nan 0.000 0.440 189 E N -0.323 120.009 120.200 0.220 0.000 2.435 189 E HA -0.008 4.341 4.350 -0.001 0.000 0.195 189 E C 0.485 177.163 176.600 0.130 0.000 1.029 189 E CA 0.081 56.571 56.400 0.150 0.000 0.865 189 E CB 0.022 29.778 29.700 0.094 0.000 0.833 189 E HN 0.268 nan 8.360 nan 0.000 0.510 190 C N 1.371 120.763 119.300 0.152 0.000 2.604 190 C HA 0.355 4.814 4.460 -0.001 0.000 0.396 190 C C 0.970 175.935 174.990 -0.041 0.000 1.282 190 C CA -0.603 58.413 59.018 -0.002 0.000 2.292 190 C CB 0.132 27.755 27.740 -0.195 0.000 2.633 190 C HN 0.168 nan 8.230 nan 0.000 0.620 191 R N 0.178 120.587 120.500 -0.152 0.000 2.474 191 R HA 0.417 4.756 4.340 -0.001 0.000 0.295 191 R C -1.518 174.600 176.300 -0.304 0.000 0.980 191 R CA -0.143 55.894 56.100 -0.105 0.000 0.934 191 R CB 1.060 31.326 30.300 -0.056 0.000 1.101 191 R HN 0.682 nan 8.270 nan 0.000 0.469 192 W N 0.721 121.962 121.300 -0.097 0.000 2.573 192 W HA 0.503 5.162 4.660 -0.001 0.000 0.326 192 W C -0.317 176.127 176.519 -0.125 0.000 1.049 192 W CA -0.646 56.665 57.345 -0.057 0.000 1.220 192 W CB 1.716 31.212 29.460 0.061 0.000 1.373 192 W HN 0.562 nan 8.180 nan 0.000 0.507 193 A N 4.034 126.963 122.820 0.181 0.000 2.415 193 A HA 0.443 4.763 4.320 -0.001 0.000 0.309 193 A C -0.856 176.923 177.584 0.325 0.000 1.356 193 A CA -0.525 51.593 52.037 0.135 0.000 0.998 193 A CB -0.517 18.531 19.000 0.080 0.000 1.145 193 A HN 0.420 nan 8.150 nan 0.000 0.545 194 F N 2.537 122.538 119.950 0.086 0.000 2.571 194 F HA 0.174 4.700 4.527 -0.001 0.000 0.384 194 F C 1.361 177.154 175.800 -0.010 0.000 1.058 194 F CA -0.192 57.830 58.000 0.037 0.000 1.200 194 F CB 0.102 39.099 39.000 -0.005 0.000 1.077 194 F HN 0.613 nan 8.300 nan 0.000 0.558 195 S N 1.304 117.100 115.700 0.161 0.000 2.722 195 S HA 0.542 5.012 4.470 -0.001 0.000 0.292 195 S C -0.075 174.469 174.600 -0.094 0.000 1.135 195 S CA -1.036 57.146 58.200 -0.029 0.000 1.003 195 S CB 1.364 64.615 63.200 0.086 0.000 1.067 195 S HN 0.387 nan 8.310 nan 0.000 0.546 196 S N 0.861 116.359 115.700 -0.337 0.000 2.533 196 S HA 0.596 5.065 4.470 -0.001 0.000 0.282 196 S C 0.074 174.732 174.600 0.097 0.000 1.304 196 S CA -0.191 57.913 58.200 -0.161 0.000 1.063 196 S CB 0.102 63.139 63.200 -0.272 0.000 0.881 196 S HN 1.081 nan 8.310 nan 0.000 0.493 197 A N 4.614 127.486 122.820 0.087 0.000 2.556 197 A HA 0.747 5.066 4.320 -0.001 0.000 0.294 197 A C -2.399 175.260 177.584 0.125 0.000 1.091 197 A CA -1.545 50.572 52.037 0.134 0.000 0.704 197 A CB 0.652 19.706 19.000 0.090 0.000 1.300 197 A HN 0.491 nan 8.150 nan 0.000 0.406 198 P HA -0.095 nan 4.420 nan 0.000 0.218 198 P C 0.882 178.273 177.300 0.152 0.000 1.148 198 P CA 1.162 64.380 63.100 0.197 0.000 0.822 198 P CB 0.168 32.034 31.700 0.277 0.000 0.784 199 R N -0.939 119.635 120.500 0.123 0.000 2.334 199 R HA 0.402 4.741 4.340 -0.001 0.000 0.220 199 R C 0.643 176.948 176.300 0.007 0.000 0.917 199 R CA 0.365 56.498 56.100 0.054 0.000 1.073 199 R CB -0.028 30.283 30.300 0.019 0.000 1.056 199 R HN 0.177 nan 8.270 nan 0.000 0.506 200 G N 1.573 110.380 108.800 0.011 0.000 2.515 200 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.686 200 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.686 200 G C -2.969 171.903 174.900 -0.046 0.000 1.274 200 G CA -1.395 43.696 45.100 -0.016 0.000 0.874 200 G HN -0.162 nan 8.290 nan 0.000 0.631 201 P HA 0.330 nan 4.420 nan 0.000 0.261 201 P C 1.185 178.353 177.300 -0.219 0.000 1.183 201 P CA 2.243 65.322 63.100 -0.035 0.000 0.761 201 P CB 0.565 32.306 31.700 0.067 0.000 0.785 202 G N 3.302 111.907 108.800 -0.325 0.000 2.168 202 G HA2 -0.354 3.606 3.960 -0.001 0.000 0.263 202 G HA3 -0.354 3.606 3.960 -0.001 0.000 0.263 202 G C 1.224 175.757 174.900 -0.611 0.000 0.977 202 G CA 0.483 45.075 45.100 -0.847 0.000 0.659 202 G HN 0.659 nan 8.290 nan 0.000 0.533 203 A N -0.055 122.580 122.820 -0.308 0.000 1.917 203 A HA 0.063 4.383 4.320 -0.001 0.000 0.219 203 A C 2.382 179.873 177.584 -0.155 0.000 1.182 203 A CA 1.953 53.873 52.037 -0.195 0.000 0.633 203 A CB -0.318 18.638 19.000 -0.073 0.000 0.819 203 A HN 0.786 nan 8.150 nan 0.000 0.448 204 I N -1.305 119.197 120.570 -0.114 0.000 2.163 204 I HA -0.193 3.977 4.170 -0.001 0.000 0.240 204 I C 2.361 178.411 176.117 -0.112 0.000 1.081 204 I CA 1.359 62.627 61.300 -0.054 0.000 1.353 204 I CB -0.231 37.773 38.000 0.006 0.000 1.054 204 I HN 0.365 nan 8.210 nan 0.000 0.407 205 I N 0.941 121.368 120.570 -0.237 0.000 2.315 205 I HA -0.218 3.951 4.170 -0.001 0.000 0.248 205 I C 2.577 178.484 176.117 -0.351 0.000 1.117 205 I CA 1.535 62.620 61.300 -0.358 0.000 1.404 205 I CB -0.417 37.148 38.000 -0.725 0.000 1.071 205 I HN 0.045 nan 8.210 nan 0.000 0.419 206 R N -0.059 120.195 120.500 -0.411 0.000 2.081 206 R HA -0.192 4.148 4.340 -0.001 0.000 0.235 206 R C 2.150 178.394 176.300 -0.093 0.000 1.131 206 R CA 1.751 57.671 56.100 -0.299 0.000 0.960 206 R CB -0.651 29.442 30.300 -0.346 0.000 0.856 206 R HN 0.410 nan 8.270 nan 0.000 0.436 207 N N 0.513 119.168 118.700 -0.075 0.000 2.188 207 N HA -0.119 4.621 4.740 -0.001 0.000 0.184 207 N C 1.594 177.145 175.510 0.069 0.000 1.018 207 N CA 1.387 54.434 53.050 -0.004 0.000 0.858 207 N CB -0.035 38.449 38.487 -0.006 0.000 0.989 207 N HN 0.217 nan 8.380 nan 0.000 0.426 208 A N -0.168 122.712 122.820 0.099 0.000 1.858 208 A HA -0.091 4.229 4.320 -0.001 0.000 0.216 208 A C 2.112 179.878 177.584 0.304 0.000 1.190 208 A CA 1.175 53.337 52.037 0.209 0.000 0.617 208 A CB -1.262 17.833 19.000 0.159 0.000 0.827 208 A HN 0.425 nan 8.150 nan 0.000 0.443 209 F N 0.129 120.073 119.950 -0.010 0.000 2.126 209 F HA -0.223 4.303 4.527 -0.001 0.000 0.299 209 F C 2.823 178.658 175.800 0.058 0.000 1.096 209 F CA 0.990 58.996 58.000 0.011 0.000 1.255 209 F CB -0.124 38.832 39.000 -0.073 0.000 0.997 209 F HN 0.304 nan 8.300 nan 0.000 0.479 210 A N 0.942 123.882 122.820 0.201 0.000 1.877 210 A HA -0.229 4.091 4.320 -0.001 0.000 0.216 210 A C 2.144 179.761 177.584 0.055 0.000 1.186 210 A CA 1.851 53.950 52.037 0.102 0.000 0.620 210 A CB -0.800 18.232 19.000 0.053 0.000 0.822 210 A HN 0.498 nan 8.150 nan 0.000 0.443 211 R N -2.289 118.234 120.500 0.038 0.000 2.189 211 R HA -0.053 4.287 4.340 -0.001 0.000 0.218 211 R C 1.055 177.226 176.300 -0.215 0.000 1.074 211 R CA 1.453 57.501 56.100 -0.086 0.000 0.991 211 R CB -0.551 29.677 30.300 -0.120 0.000 0.883 211 R HN 0.503 nan 8.270 nan 0.000 0.457 212 Y N 0.961 121.240 120.300 -0.035 0.000 2.471 212 Y HA 0.267 4.817 4.550 -0.001 0.000 0.286 212 Y C 1.438 177.301 175.900 -0.062 0.000 1.188 212 Y CA 0.557 58.617 58.100 -0.065 0.000 1.286 212 Y CB 0.633 39.021 38.460 -0.120 0.000 1.072 212 Y HN 0.416 nan 8.280 nan 0.000 0.517 213 G N 0.583 109.412 108.800 0.047 0.000 2.153 213 G HA2 -0.286 3.674 3.960 -0.001 0.000 0.252 213 G HA3 -0.286 3.674 3.960 -0.001 0.000 0.252 213 G C 0.032 174.958 174.900 0.042 0.000 0.994 213 G CA 0.201 45.321 45.100 0.032 0.000 0.698 213 G HN 0.288 nan 8.290 nan 0.000 0.521 214 L N -0.184 121.068 121.223 0.048 0.000 2.416 214 L HA 0.542 4.882 4.340 -0.001 0.000 0.262 214 L C -1.286 175.675 176.870 0.151 0.000 1.093 214 L CA -2.325 52.544 54.840 0.049 0.000 0.801 214 L CB 0.303 42.285 42.059 -0.129 0.000 1.191 214 L HN -0.087 nan 8.230 nan 0.000 0.459 215 P HA 0.077 nan 4.420 nan 0.000 0.274 215 P C -0.737 176.722 177.300 0.265 0.000 1.260 215 P CA -0.604 62.609 63.100 0.189 0.000 0.793 215 P CB 0.342 32.137 31.700 0.159 0.000 1.048 216 E N 1.501 121.787 120.200 0.144 0.000 2.452 216 E HA 0.021 4.371 4.350 -0.001 0.000 0.261 216 E C -1.823 174.772 176.600 -0.008 0.000 0.987 216 E CA -0.841 55.596 56.400 0.061 0.000 0.926 216 E CB -0.510 29.218 29.700 0.047 0.000 0.934 216 E HN 0.334 nan 8.360 nan 0.000 0.452 217 P HA 0.043 nan 4.420 nan 0.000 0.269 217 P C -0.727 176.534 177.300 -0.066 0.000 1.209 217 P CA 0.006 62.739 63.100 -0.611 0.000 0.776 217 P CB 0.574 31.390 31.700 -1.474 0.000 0.876 218 K N 1.864 122.341 120.400 0.127 0.000 2.349 218 K HA 0.208 4.528 4.320 -0.001 0.000 0.288 218 K C 0.146 176.772 176.600 0.042 0.000 1.058 218 K CA -0.665 55.689 56.287 0.111 0.000 0.953 218 K CB 0.063 32.641 32.500 0.129 0.000 0.997 218 K HN 0.329 nan 8.250 nan 0.000 0.477 219 L N 3.586 124.716 121.223 -0.156 0.000 2.418 219 L HA 0.160 4.500 4.340 -0.001 0.000 0.274 219 L C 0.898 177.608 176.870 -0.266 0.000 1.135 219 L CA 0.789 55.344 54.840 -0.476 0.000 0.870 219 L CB 0.661 42.400 42.059 -0.532 0.000 1.154 219 L HN 0.774 nan 8.230 nan 0.000 0.462 220 G N 5.510 114.161 108.800 -0.248 0.000 2.497 220 G HA2 0.318 4.278 3.960 -0.001 0.000 0.210 220 G HA3 0.318 4.278 3.960 -0.001 0.000 0.210 220 G C -0.069 174.739 174.900 -0.153 0.000 1.177 220 G CA 0.803 45.816 45.100 -0.145 0.000 0.822 220 G HN 0.699 nan 8.290 nan 0.000 0.550 221 L N -3.156 117.957 121.223 -0.183 0.000 2.892 221 L HA 0.765 5.105 4.340 -0.001 0.000 0.269 221 L C -1.304 175.486 176.870 -0.134 0.000 1.058 221 L CA -1.339 53.416 54.840 -0.142 0.000 0.923 221 L CB 1.727 43.740 42.059 -0.077 0.000 1.518 221 L HN -0.158 nan 8.230 nan 0.000 0.402 222 V N 0.357 120.234 119.914 -0.062 0.000 2.384 222 V HA 0.491 4.611 4.120 -0.001 0.000 0.287 222 V C -0.580 175.513 176.094 -0.001 0.000 1.020 222 V CA -0.284 62.025 62.300 0.015 0.000 0.850 222 V CB 1.243 33.092 31.823 0.042 0.000 0.987 222 V HN 0.910 nan 8.190 nan 0.000 0.436 223 C N 4.941 124.242 119.300 0.003 0.000 2.409 223 C HA 0.419 4.878 4.460 -0.001 0.000 0.297 223 C C 1.351 176.270 174.990 -0.118 0.000 1.083 223 C CA -0.400 58.591 59.018 -0.045 0.000 1.515 223 C CB -0.410 27.311 27.740 -0.031 0.000 1.869 223 C HN 1.044 nan 8.230 nan 0.000 0.413 224 E N 1.493 121.624 120.200 -0.114 0.000 2.274 224 E HA -0.065 4.285 4.350 -0.001 0.000 0.194 224 E C 0.945 177.397 176.600 -0.245 0.000 0.996 224 E CA 0.407 56.701 56.400 -0.176 0.000 0.840 224 E CB 0.258 29.901 29.700 -0.095 0.000 0.772 224 E HN 0.643 nan 8.360 nan 0.000 0.491 225 S N 0.149 115.754 115.700 -0.158 0.000 2.422 225 S HA 0.062 4.532 4.470 -0.001 0.000 0.283 225 S C 0.503 175.048 174.600 -0.092 0.000 1.163 225 S CA -0.526 57.617 58.200 -0.094 0.000 1.054 225 S CB 0.016 63.202 63.200 -0.023 0.000 0.967 225 S HN 0.044 nan 8.310 nan 0.000 0.499 226 F N 3.984 123.964 119.950 0.050 0.000 2.365 226 F HA 0.022 4.549 4.527 -0.001 0.000 0.300 226 F C 1.735 177.572 175.800 0.061 0.000 1.090 226 F CA 0.442 58.477 58.000 0.059 0.000 1.408 226 F CB -0.476 38.561 39.000 0.062 0.000 1.060 226 F HN 0.589 nan 8.300 nan 0.000 0.534 227 L N 0.370 121.721 121.223 0.213 0.000 2.017 227 L HA -0.098 4.241 4.340 -0.001 0.000 0.208 227 L C 2.346 179.300 176.870 0.139 0.000 1.073 227 L CA 2.115 57.049 54.840 0.157 0.000 0.745 227 L CB -1.034 41.091 42.059 0.110 0.000 0.894 227 L HN 0.021 nan 8.230 nan 0.000 0.432 228 A N -1.090 121.785 122.820 0.092 0.000 2.016 228 A HA -0.076 4.244 4.320 -0.001 0.000 0.217 228 A C 2.156 179.755 177.584 0.025 0.000 1.162 228 A CA 1.252 53.318 52.037 0.049 0.000 0.662 228 A CB -0.816 18.192 19.000 0.014 0.000 0.812 228 A HN 0.475 nan 8.150 nan 0.000 0.450 229 L N 0.622 121.886 121.223 0.069 0.000 1.989 229 L HA -0.074 4.265 4.340 -0.001 0.000 0.211 229 L C -0.729 176.166 176.870 0.042 0.000 1.071 229 L CA 2.505 57.387 54.840 0.070 0.000 0.749 229 L CB -1.154 41.002 42.059 0.161 0.000 0.890 229 L HN 0.163 nan 8.230 nan 0.000 0.431 230 P HA -0.104 nan 4.420 nan 0.000 0.215 230 P C 1.638 178.795 177.300 -0.237 0.000 1.157 230 P CA 1.839 64.968 63.100 0.048 0.000 0.868 230 P CB -0.436 31.381 31.700 0.195 0.000 0.788 231 G N -0.326 108.108 108.800 -0.610 0.000 2.440 231 G HA2 -0.243 3.716 3.960 -0.001 0.000 0.218 231 G HA3 -0.243 3.716 3.960 -0.001 0.000 0.218 231 G C 1.644 176.246 174.900 -0.496 0.000 1.154 231 G CA 0.797 45.070 45.100 -1.379 0.000 0.767 231 G HN 0.157 nan 8.290 nan 0.000 0.552 232 V N 0.370 120.138 119.914 -0.243 0.000 2.295 232 V HA -0.162 3.957 4.120 -0.001 0.000 0.246 232 V C 3.022 179.078 176.094 -0.062 0.000 1.049 232 V CA 1.519 63.758 62.300 -0.102 0.000 1.024 232 V CB -0.347 31.439 31.823 -0.061 0.000 0.648 232 V HN 0.253 nan 8.190 nan 0.000 0.447 233 V N 0.253 120.127 119.914 -0.066 0.000 2.427 233 V HA -0.214 3.905 4.120 -0.001 0.000 0.248 233 V C 2.666 178.730 176.094 -0.051 0.000 1.051 233 V CA 1.832 64.111 62.300 -0.035 0.000 1.048 233 V CB -1.020 30.801 31.823 -0.003 0.000 0.666 233 V HN 0.559 nan 8.190 nan 0.000 0.456 234 A N -0.871 121.880 122.820 -0.115 0.000 2.019 234 A HA -0.214 4.105 4.320 -0.001 0.000 0.219 234 A C 1.682 179.110 177.584 -0.261 0.000 1.164 234 A CA 1.642 53.582 52.037 -0.161 0.000 0.644 234 A CB -0.637 18.244 19.000 -0.198 0.000 0.805 234 A HN 0.728 nan 8.150 nan 0.000 0.449 235 H N -0.670 118.347 119.070 -0.090 0.000 2.524 235 H HA 0.368 4.924 4.556 -0.001 0.000 0.299 235 H C 0.307 175.609 175.328 -0.043 0.000 1.074 235 H CA 0.383 56.398 56.048 -0.054 0.000 1.115 235 H CB 0.198 29.920 29.762 -0.067 0.000 1.522 235 H HN 0.545 nan 8.280 nan 0.000 0.543 236 S N -1.837 113.876 115.700 0.021 0.000 2.752 236 S HA 0.214 4.684 4.470 -0.001 0.000 0.284 236 S C -0.350 174.252 174.600 0.004 0.000 1.189 236 S CA -0.974 57.231 58.200 0.008 0.000 0.835 236 S CB 1.669 64.868 63.200 -0.000 0.000 1.192 236 S HN 0.010 nan 8.310 nan 0.000 0.506 237 D N 0.597 120.993 120.400 -0.007 0.000 2.388 237 D HA 0.348 4.988 4.640 -0.001 0.000 0.221 237 D C -0.028 176.330 176.300 0.096 0.000 1.133 237 D CA 0.034 54.044 54.000 0.017 0.000 0.831 237 D CB -0.098 40.637 40.800 -0.108 0.000 0.962 237 D HN 0.403 nan 8.370 nan 0.000 0.502 238 L N 0.836 122.058 121.223 -0.002 0.000 2.397 238 L HA 0.247 4.587 4.340 -0.001 0.000 0.271 238 L C 0.554 177.303 176.870 -0.202 0.000 1.148 238 L CA -0.199 54.581 54.840 -0.101 0.000 0.825 238 L CB 0.977 42.993 42.059 -0.072 0.000 1.117 238 L HN -0.257 nan 8.230 nan 0.000 0.456 239 L N 1.673 122.614 121.223 -0.470 0.000 2.344 239 L HA 0.624 4.964 4.340 -0.001 0.000 0.272 239 L C 0.152 176.889 176.870 -0.223 0.000 1.035 239 L CA -0.184 54.290 54.840 -0.609 0.000 0.807 239 L CB 1.922 43.191 42.059 -1.316 0.000 1.237 239 L HN 0.609 nan 8.230 nan 0.000 0.442 240 T N -0.299 114.275 114.554 0.034 0.000 2.778 240 T HA 0.463 4.813 4.350 -0.001 0.000 0.293 240 T C -1.025 173.893 174.700 0.362 0.000 1.144 240 T CA -0.248 62.048 62.100 0.327 0.000 1.010 240 T CB 2.095 71.096 68.868 0.223 0.000 1.325 240 T HN 0.560 nan 8.240 nan 0.000 0.515 241 T N 2.797 117.552 114.554 0.335 0.000 2.807 241 T HA 0.712 5.062 4.350 -0.001 0.000 0.279 241 T C -0.466 174.382 174.700 0.246 0.000 0.993 241 T CA -0.621 61.624 62.100 0.243 0.000 0.970 241 T CB 0.668 69.647 68.868 0.184 0.000 0.950 241 T HN 0.663 nan 8.240 nan 0.000 0.441 242 M N 1.899 121.605 119.600 0.177 0.000 2.575 242 M HA 0.694 5.173 4.480 -0.001 0.000 0.284 242 M C -3.179 173.144 176.300 0.038 0.000 1.253 242 M CA -2.663 52.726 55.300 0.149 0.000 0.861 242 M CB 1.822 34.530 32.600 0.180 0.000 1.733 242 M HN 0.101 nan 8.290 nan 0.000 0.462 243 P HA 0.054 nan 4.420 nan 0.000 0.264 243 P C -0.040 177.271 177.300 0.018 0.000 1.183 243 P CA 0.102 63.165 63.100 -0.062 0.000 0.763 243 P CB 0.485 32.079 31.700 -0.177 0.000 0.807 244 R N 2.464 122.997 120.500 0.055 0.000 2.117 244 R HA -0.196 4.144 4.340 -0.001 0.000 0.243 244 R C 1.989 178.360 176.300 0.118 0.000 1.143 244 R CA 2.325 58.494 56.100 0.116 0.000 0.968 244 R CB -0.853 29.509 30.300 0.103 0.000 0.863 244 R HN 0.449 nan 8.270 nan 0.000 0.444 245 T N 0.326 114.910 114.554 0.050 0.000 2.759 245 T HA -0.158 4.192 4.350 -0.001 0.000 0.269 245 T C 1.722 176.430 174.700 0.013 0.000 1.042 245 T CA 1.453 63.564 62.100 0.018 0.000 1.140 245 T CB -0.150 68.705 68.868 -0.021 0.000 0.864 245 T HN 0.261 nan 8.240 nan 0.000 0.455 246 L N -0.037 121.189 121.223 0.004 0.000 2.072 246 L HA 0.116 4.455 4.340 -0.001 0.000 0.205 246 L C 2.091 179.012 176.870 0.085 0.000 1.079 246 L CA 1.746 56.594 54.840 0.014 0.000 0.752 246 L CB -1.043 40.986 42.059 -0.050 0.000 0.906 246 L HN 0.426 nan 8.230 nan 0.000 0.436 247 Y N 0.803 121.112 120.300 0.015 0.000 2.165 247 Y HA -0.254 4.296 4.550 -0.001 0.000 0.286 247 Y C 2.313 178.234 175.900 0.035 0.000 1.155 247 Y CA 2.252 60.374 58.100 0.038 0.000 1.164 247 Y CB -0.187 38.294 38.460 0.036 0.000 0.978 247 Y HN 0.398 nan 8.280 nan 0.000 0.513 248 E N -0.098 120.052 120.200 -0.084 0.000 2.208 248 E HA -0.075 4.275 4.350 -0.001 0.000 0.193 248 E C 0.462 176.989 176.600 -0.123 0.000 0.988 248 E CA 0.692 57.002 56.400 -0.150 0.000 0.828 248 E CB 0.020 29.707 29.700 -0.022 0.000 0.763 248 E HN 0.365 nan 8.360 nan 0.000 0.478 249 R N 1.489 121.950 120.500 -0.065 0.000 2.564 249 R HA 0.214 4.554 4.340 -0.001 0.000 0.282 249 R C -1.009 175.283 176.300 -0.013 0.000 1.573 249 R CA -0.318 55.757 56.100 -0.042 0.000 1.588 249 R CB 0.269 30.553 30.300 -0.026 0.000 1.154 249 R HN 0.157 nan 8.270 nan 0.000 0.606 250 N N -1.673 117.018 118.700 -0.016 0.000 2.610 250 N HA 0.336 5.075 4.740 -0.001 0.000 0.264 250 N C 0.025 175.545 175.510 0.016 0.000 1.348 250 N CA -0.930 52.148 53.050 0.047 0.000 0.819 250 N CB 1.293 39.853 38.487 0.123 0.000 1.521 250 N HN 0.008 nan 8.380 nan 0.000 0.497 251 A N -0.534 122.297 122.820 0.019 0.000 2.206 251 A HA 0.206 4.525 4.320 -0.001 0.000 0.211 251 A C 0.075 177.413 177.584 -0.410 0.000 1.158 251 A CA 0.464 52.375 52.037 -0.210 0.000 0.761 251 A CB -0.888 17.918 19.000 -0.324 0.000 0.801 251 A HN 0.584 nan 8.150 nan 0.000 0.473 252 F N -0.554 119.398 119.950 0.004 0.000 2.708 252 F HA 0.252 4.779 4.527 -0.001 0.000 0.300 252 F C 1.539 177.325 175.800 -0.023 0.000 1.118 252 F CA -0.422 57.582 58.000 0.006 0.000 1.307 252 F CB 0.348 39.370 39.000 0.036 0.000 0.986 252 F HN 0.037 nan 8.300 nan 0.000 0.522 253 K N 0.339 120.759 120.400 0.033 0.000 2.074 253 K HA -0.194 4.125 4.320 -0.001 0.000 0.209 253 K C 0.995 177.587 176.600 -0.015 0.000 1.048 253 K CA 1.821 58.077 56.287 -0.053 0.000 0.926 253 K CB -0.142 32.284 32.500 -0.123 0.000 0.713 253 K HN 0.203 nan 8.250 nan 0.000 0.444 254 D N 0.650 121.049 120.400 -0.002 0.000 2.310 254 D HA -0.104 4.535 4.640 -0.001 0.000 0.212 254 D C 1.224 177.546 176.300 0.036 0.000 0.965 254 D CA 1.023 55.028 54.000 0.009 0.000 0.879 254 D CB 0.075 40.871 40.800 -0.006 0.000 0.921 254 D HN 0.340 nan 8.370 nan 0.000 0.510 255 Q N -0.440 119.401 119.800 0.069 0.000 2.282 255 Q HA 0.273 4.613 4.340 -0.001 0.000 0.206 255 Q C 0.124 176.166 176.000 0.070 0.000 0.878 255 Q CA 0.067 55.907 55.803 0.061 0.000 0.944 255 Q CB 1.182 29.966 28.738 0.077 0.000 1.100 255 Q HN 0.195 nan 8.270 nan 0.000 0.509 256 L N 0.129 121.415 121.223 0.105 0.000 2.333 256 L HA 0.606 4.946 4.340 -0.001 0.000 0.263 256 L C -0.501 176.494 176.870 0.209 0.000 1.014 256 L CA -1.221 53.715 54.840 0.160 0.000 0.820 256 L CB 2.022 44.218 42.059 0.229 0.000 1.352 256 L HN 0.092 nan 8.230 nan 0.000 0.421 257 C N -1.000 118.426 119.300 0.210 0.000 2.971 257 C HA 0.901 5.361 4.460 -0.001 0.000 0.310 257 C C 0.154 175.172 174.990 0.046 0.000 1.285 257 C CA -0.832 58.301 59.018 0.192 0.000 1.593 257 C CB 1.335 29.129 27.740 0.091 0.000 2.076 257 C HN 0.856 nan 8.230 nan 0.000 0.472 258 S N 0.509 116.132 115.700 -0.129 0.000 2.651 258 S HA 0.765 5.234 4.470 -0.001 0.000 0.291 258 S C -0.737 173.767 174.600 -0.159 0.000 1.141 258 S CA -0.612 57.364 58.200 -0.373 0.000 1.027 258 S CB 0.735 63.534 63.200 -0.668 0.000 1.043 258 S HN 0.752 nan 8.310 nan 0.000 0.530 259 I N 2.691 123.175 120.570 -0.142 0.000 2.412 259 I HA 0.299 4.468 4.170 -0.001 0.000 0.279 259 I C -2.338 173.742 176.117 -0.061 0.000 1.063 259 I CA -2.155 59.098 61.300 -0.079 0.000 1.193 259 I CB 1.256 39.211 38.000 -0.075 0.000 1.370 259 I HN 0.463 nan 8.210 nan 0.000 0.479 260 P HA 0.248 nan 4.420 nan 0.000 0.277 260 P C -0.434 176.850 177.300 -0.026 0.000 1.354 260 P CA -0.059 63.018 63.100 -0.037 0.000 0.891 260 P CB 0.476 32.160 31.700 -0.026 0.000 1.058 261 L N 2.613 123.819 121.223 -0.029 0.000 2.418 261 L HA 0.223 4.563 4.340 -0.001 0.000 0.265 261 L C 1.977 178.828 176.870 -0.031 0.000 1.143 261 L CA -0.446 54.372 54.840 -0.037 0.000 0.809 261 L CB 0.535 42.558 42.059 -0.061 0.000 1.124 261 L HN 0.285 nan 8.230 nan 0.000 0.456 262 Q N 0.036 119.816 119.800 -0.032 0.000 2.435 262 Q HA -0.031 4.308 4.340 -0.001 0.000 0.207 262 Q C -0.540 175.454 176.000 -0.011 0.000 0.956 262 Q CA 0.425 56.219 55.803 -0.015 0.000 0.917 262 Q CB 0.242 28.975 28.738 -0.008 0.000 0.997 262 Q HN 0.566 nan 8.270 nan 0.000 0.497 263 D N 0.305 120.667 120.400 -0.063 0.000 2.255 263 D HA 0.284 4.923 4.640 -0.001 0.000 0.249 263 D C -0.618 175.678 176.300 -0.008 0.000 1.078 263 D CA -0.000 53.950 54.000 -0.083 0.000 0.896 263 D CB 1.214 41.723 40.800 -0.485 0.000 1.194 263 D HN 0.081 nan 8.370 nan 0.000 0.429 264 A N 2.609 125.514 122.820 0.141 0.000 2.354 264 A HA 0.544 4.864 4.320 -0.001 0.000 0.269 264 A C -0.055 177.610 177.584 0.136 0.000 1.109 264 A CA -0.417 51.692 52.037 0.119 0.000 0.800 264 A CB 0.311 19.384 19.000 0.121 0.000 1.045 264 A HN 0.553 nan 8.150 nan 0.000 0.489 265 L N 2.475 123.745 121.223 0.079 0.000 2.304 265 L HA 0.527 4.867 4.340 -0.001 0.000 0.268 265 L C -1.797 175.110 176.870 0.061 0.000 1.010 265 L CA -2.115 52.772 54.840 0.078 0.000 0.813 265 L CB 1.364 43.454 42.059 0.052 0.000 1.315 265 L HN 0.568 nan 8.230 nan 0.000 0.445 266 P HA 0.108 nan 4.420 nan 0.000 0.272 266 P C -1.366 175.941 177.300 0.011 0.000 1.230 266 P CA -0.360 62.762 63.100 0.037 0.000 0.788 266 P CB 0.492 32.221 31.700 0.048 0.000 0.949 267 N N 1.267 119.959 118.700 -0.014 0.000 2.800 267 N HA 0.300 5.039 4.740 -0.001 0.000 0.240 267 N C -2.556 172.913 175.510 -0.068 0.000 1.096 267 N CA -1.354 51.672 53.050 -0.039 0.000 0.877 267 N CB 0.110 38.563 38.487 -0.057 0.000 1.138 267 N HN 0.248 nan 8.380 nan 0.000 0.509 268 P HA 0.012 nan 4.420 nan 0.000 0.264 268 P C -0.439 176.788 177.300 -0.121 0.000 1.193 268 P CA 0.171 63.210 63.100 -0.101 0.000 0.763 268 P CB 0.539 32.203 31.700 -0.059 0.000 0.810 269 T N 4.783 119.232 114.554 -0.174 0.000 2.780 269 T HA 0.296 4.646 4.350 -0.001 0.000 0.294 269 T C 0.449 174.953 174.700 -0.326 0.000 0.949 269 T CA -0.242 61.675 62.100 -0.304 0.000 1.074 269 T CB 0.040 68.640 68.868 -0.447 0.000 0.910 269 T HN 0.127 nan 8.240 nan 0.000 0.501 270 I N 3.990 124.394 120.570 -0.276 0.000 2.342 270 I HA 0.330 4.500 4.170 -0.001 0.000 0.291 270 I C -0.249 175.696 176.117 -0.287 0.000 1.010 270 I CA -1.024 60.189 61.300 -0.145 0.000 1.308 270 I CB -0.017 37.982 38.000 -0.001 0.000 1.400 270 I HN 0.591 nan 8.210 nan 0.000 0.488 271 Y N 4.174 124.478 120.300 0.007 0.000 2.446 271 Y HA 0.478 5.028 4.550 -0.001 0.000 0.338 271 Y C 0.255 176.175 175.900 0.033 0.000 1.055 271 Y CA -0.981 57.118 58.100 -0.002 0.000 1.101 271 Y CB 1.806 40.240 38.460 -0.044 0.000 1.221 271 Y HN 0.204 nan 8.280 nan 0.000 0.460 272 V N 4.908 124.933 119.914 0.185 0.000 2.408 272 V HA 0.242 4.362 4.120 -0.001 0.000 0.267 272 V C -0.186 175.999 176.094 0.152 0.000 1.047 272 V CA -0.551 61.832 62.300 0.139 0.000 0.937 272 V CB 0.140 31.963 31.823 0.000 0.000 0.999 272 V HN 0.510 nan 8.190 nan 0.000 0.472 273 L N 6.565 127.898 121.223 0.183 0.000 2.322 273 L HA 0.700 5.040 4.340 -0.001 0.000 0.281 273 L C 0.153 177.135 176.870 0.186 0.000 1.014 273 L CA -0.534 54.392 54.840 0.144 0.000 0.815 273 L CB 1.613 43.743 42.059 0.119 0.000 1.247 273 L HN 0.574 nan 8.230 nan 0.000 0.421 274 R N 1.885 122.471 120.500 0.143 0.000 2.837 274 R HA 0.528 4.868 4.340 -0.001 0.000 0.271 274 R C -0.856 175.524 176.300 0.133 0.000 0.993 274 R CA -1.197 54.995 56.100 0.153 0.000 0.931 274 R CB 2.516 32.885 30.300 0.116 0.000 1.206 274 R HN 0.545 nan 8.270 nan 0.000 0.474 275 R N 1.459 122.040 120.500 0.136 0.000 2.489 275 R HA -0.020 4.320 4.340 -0.001 0.000 0.287 275 R C 1.478 177.859 176.300 0.136 0.000 1.053 275 R CA -0.028 56.152 56.100 0.134 0.000 1.036 275 R CB 0.308 30.681 30.300 0.121 0.000 0.966 275 R HN 0.617 nan 8.270 nan 0.000 0.432 276 H N 3.496 122.600 119.070 0.056 0.000 2.353 276 H HA -0.173 4.382 4.556 -0.001 0.000 0.300 276 H C 0.934 176.290 175.328 0.047 0.000 1.090 276 H CA 2.579 58.654 56.048 0.045 0.000 1.327 276 H CB 0.362 30.143 29.762 0.033 0.000 1.383 276 H HN 0.783 nan 8.280 nan 0.000 0.508 277 D N 0.610 121.103 120.400 0.154 0.000 2.123 277 D HA -0.084 4.555 4.640 -0.001 0.000 0.200 277 D C 0.828 177.147 176.300 0.032 0.000 0.976 277 D CA -0.006 54.048 54.000 0.091 0.000 0.831 277 D CB -0.506 40.372 40.800 0.129 0.000 0.974 277 D HN 0.087 nan 8.370 nan 0.000 0.469 278 L N 2.332 123.592 121.223 0.062 0.000 2.640 278 L HA 0.141 4.481 4.340 -0.001 0.000 0.280 278 L C -1.796 175.135 176.870 0.101 0.000 1.229 278 L CA -0.656 54.239 54.840 0.091 0.000 0.919 278 L CB -0.375 41.761 42.059 0.129 0.000 1.168 278 L HN 0.171 nan 8.230 nan 0.000 0.496 279 P HA 0.237 nan 4.420 nan 0.000 0.278 279 P C -1.111 176.399 177.300 0.350 0.000 1.238 279 P CA -0.368 62.852 63.100 0.200 0.000 0.794 279 P CB 1.320 33.131 31.700 0.185 0.000 0.955 280 V N 2.184 122.236 119.914 0.230 0.000 2.513 280 V HA 0.305 4.425 4.120 -0.001 0.000 0.299 280 V C 1.000 177.065 176.094 -0.048 0.000 1.035 280 V CA -0.513 61.847 62.300 0.100 0.000 0.889 280 V CB 1.449 33.277 31.823 0.009 0.000 0.988 280 V HN 0.782 nan 8.190 nan 0.000 0.440 281 T N 2.803 117.139 114.554 -0.364 0.000 2.860 281 T HA 0.204 4.554 4.350 -0.001 0.000 0.299 281 T C -1.685 172.844 174.700 -0.285 0.000 1.045 281 T CA -1.178 60.568 62.100 -0.590 0.000 1.071 281 T CB 1.018 69.360 68.868 -0.876 0.000 0.985 281 T HN 0.439 nan 8.240 nan 0.000 0.537 282 P HA -0.122 nan 4.420 nan 0.000 0.215 282 P C 1.753 178.860 177.300 -0.323 0.000 1.157 282 P CA 1.802 64.853 63.100 -0.082 0.000 0.874 282 P CB -0.356 31.399 31.700 0.092 0.000 0.790 283 A N -0.179 122.317 122.820 -0.539 0.000 1.877 283 A HA -0.137 4.183 4.320 -0.001 0.000 0.216 283 A C 2.353 179.679 177.584 -0.430 0.000 1.186 283 A CA 2.310 53.799 52.037 -0.913 0.000 0.620 283 A CB -1.638 17.092 19.000 -0.450 0.000 0.822 283 A HN 0.199 nan 8.150 nan 0.000 0.443 284 A N -0.221 122.433 122.820 -0.276 0.000 1.902 284 A HA 0.155 4.475 4.320 -0.001 0.000 0.217 284 A C 2.504 179.918 177.584 -0.283 0.000 1.181 284 A CA 2.140 54.073 52.037 -0.173 0.000 0.623 284 A CB -1.009 17.959 19.000 -0.052 0.000 0.818 284 A HN 1.065 nan 8.150 nan 0.000 0.443 285 A N -0.435 122.241 122.820 -0.240 0.000 1.877 285 A HA 0.113 4.433 4.320 -0.001 0.000 0.216 285 A C 2.438 179.929 177.584 -0.154 0.000 1.186 285 A CA 1.972 53.889 52.037 -0.201 0.000 0.620 285 A CB -1.439 17.488 19.000 -0.121 0.000 0.822 285 A HN 0.738 nan 8.150 nan 0.000 0.443 286 G N -0.239 108.503 108.800 -0.096 0.000 2.418 286 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.217 286 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.217 286 G C 1.488 176.545 174.900 0.263 0.000 1.158 286 G CA 1.243 46.431 45.100 0.146 0.000 0.771 286 G HN 0.472 nan 8.290 nan 0.000 0.545 287 L N 0.844 122.143 121.223 0.126 0.000 2.012 287 L HA 0.027 4.366 4.340 -0.001 0.000 0.210 287 L C 2.712 179.526 176.870 -0.092 0.000 1.073 287 L CA 1.393 56.222 54.840 -0.018 0.000 0.748 287 L CB -0.546 41.206 42.059 -0.513 0.000 0.891 287 L HN 0.284 nan 8.230 nan 0.000 0.431 288 I N -0.782 119.596 120.570 -0.320 0.000 2.163 288 I HA -0.349 3.820 4.170 -0.001 0.000 0.243 288 I C 2.678 178.698 176.117 -0.162 0.000 1.085 288 I CA 1.369 62.446 61.300 -0.372 0.000 1.347 288 I CB -0.379 37.287 38.000 -0.558 0.000 1.044 288 I HN 0.261 nan 8.210 nan 0.000 0.408 289 R N -0.213 120.196 120.500 -0.152 0.000 2.096 289 R HA -0.238 4.102 4.340 -0.001 0.000 0.240 289 R C 2.192 178.418 176.300 -0.122 0.000 1.139 289 R CA 2.352 58.343 56.100 -0.182 0.000 0.952 289 R CB -0.569 29.554 30.300 -0.295 0.000 0.854 289 R HN 0.431 nan 8.270 nan 0.000 0.436 290 W N 0.647 121.997 121.300 0.083 0.000 2.358 290 W HA -0.088 4.572 4.660 -0.000 0.000 0.303 290 W C 2.091 178.751 176.519 0.236 0.000 1.208 290 W CA 0.397 57.851 57.345 0.181 0.000 1.274 290 W CB -0.210 29.396 29.460 0.243 0.000 1.138 290 W HN 0.037 nan 8.180 nan 0.000 0.515 291 I N 0.061 120.823 120.570 0.320 0.000 2.226 291 I HA -0.342 3.827 4.170 -0.001 0.000 0.245 291 I C 2.408 178.608 176.117 0.138 0.000 1.100 291 I CA 1.415 62.831 61.300 0.193 0.000 1.374 291 I CB -0.740 37.290 38.000 0.051 0.000 1.057 291 I HN 0.067 nan 8.210 nan 0.000 0.413 292 Q N -0.252 119.590 119.800 0.070 0.000 2.061 292 Q HA -0.316 4.024 4.340 -0.001 0.000 0.204 292 Q C 2.205 178.236 176.000 0.050 0.000 0.984 292 Q CA 2.226 58.049 55.803 0.032 0.000 0.846 292 Q CB -0.408 28.319 28.738 -0.018 0.000 0.902 292 Q HN 0.569 nan 8.270 nan 0.000 0.421 293 H N -0.384 118.670 119.070 -0.025 0.000 2.352 293 H HA -0.144 4.412 4.556 -0.001 0.000 0.299 293 H C 1.160 176.410 175.328 -0.131 0.000 1.097 293 H CA 2.024 58.008 56.048 -0.108 0.000 1.311 293 H CB 0.037 29.698 29.762 -0.169 0.000 1.377 293 H HN 0.336 nan 8.280 nan 0.000 0.504 294 H N -1.025 118.112 119.070 0.112 0.000 2.539 294 H HA 0.401 4.957 4.556 -0.001 0.000 0.267 294 H C 0.428 175.709 175.328 -0.079 0.000 0.982 294 H CA 0.378 56.440 56.048 0.023 0.000 1.146 294 H CB 0.485 30.322 29.762 0.126 0.000 1.382 294 H HN 0.377 nan 8.280 nan 0.000 0.577 295 A N 1.826 124.640 122.820 -0.011 0.000 3.078 295 A HA 0.265 4.585 4.320 -0.001 0.000 0.279 295 A C 0.243 177.827 177.584 -0.001 0.000 1.594 295 A CA -0.418 51.523 52.037 -0.160 0.000 1.301 295 A CB -1.109 17.820 19.000 -0.119 0.000 1.162 295 A HN 0.270 nan 8.150 nan 0.000 0.585 296 L N 0.000 121.219 121.223 -0.007 0.000 2.949 296 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 296 L CA 0.000 54.883 54.840 0.071 0.000 0.813 296 L CB 0.000 42.075 42.059 0.027 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502