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 2b5j_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LV 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 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.350 177.300 0.083 0.000 1.155 1 P CA 0.000 63.134 63.100 0.056 0.000 0.800 1 P CB 0.000 31.718 31.700 0.031 0.000 0.726 2 I N 0.460 121.079 120.570 0.082 0.000 2.618 2 I HA 0.168 4.338 4.170 -0.000 0.000 0.284 2 I C 0.718 176.894 176.117 0.099 0.000 1.146 2 I CA 0.376 61.739 61.300 0.105 0.000 1.425 2 I CB 0.543 38.600 38.000 0.095 0.000 1.383 2 I HN 0.211 nan 8.210 nan 0.000 0.562 3 S N 7.351 123.133 115.700 0.137 0.000 2.603 3 S HA 0.213 4.683 4.470 -0.000 0.000 0.268 3 S C -1.285 173.407 174.600 0.154 0.000 1.317 3 S CA -0.858 57.442 58.200 0.166 0.000 1.012 3 S CB 0.876 64.233 63.200 0.262 0.000 0.926 3 S HN 0.553 nan 8.310 nan 0.000 0.539 4 P HA 0.184 nan 4.420 nan 0.000 0.255 4 P C -0.183 177.261 177.300 0.241 0.000 1.301 4 P CA 0.119 63.297 63.100 0.131 0.000 0.817 4 P CB -0.206 31.495 31.700 0.001 0.000 1.259 5 I N 1.318 122.063 120.570 0.291 0.000 2.813 5 I HA -0.031 4.139 4.170 -0.000 0.000 0.287 5 I C 1.434 177.632 176.117 0.135 0.000 1.196 5 I CA -0.148 61.284 61.300 0.219 0.000 1.421 5 I CB 0.208 38.286 38.000 0.131 0.000 1.365 5 I HN 0.076 nan 8.210 nan 0.000 0.591 6 E N 3.303 123.561 120.200 0.097 0.000 2.345 6 E HA 0.332 4.682 4.350 -0.000 0.000 0.259 6 E C -0.580 176.057 176.600 0.061 0.000 1.117 6 E CA -0.859 55.586 56.400 0.075 0.000 0.913 6 E CB 0.926 30.663 29.700 0.061 0.000 1.057 6 E HN 0.647 nan 8.360 nan 0.000 0.432 7 T N -1.270 113.322 114.554 0.064 0.000 2.829 7 T HA 0.318 4.668 4.350 -0.000 0.000 0.282 7 T C 0.126 174.863 174.700 0.060 0.000 0.990 7 T CA -1.016 61.124 62.100 0.067 0.000 1.028 7 T CB 1.142 70.061 68.868 0.084 0.000 0.951 7 T HN 0.318 nan 8.240 nan 0.000 0.460 8 V N 6.305 126.257 119.914 0.063 0.000 2.425 8 V HA 0.220 4.339 4.120 -0.000 0.000 0.276 8 V C -1.541 174.601 176.094 0.081 0.000 1.017 8 V CA -1.336 61.004 62.300 0.067 0.000 1.062 8 V CB -0.401 31.474 31.823 0.088 0.000 0.997 8 V HN 0.825 nan 8.190 nan 0.000 0.476 9 P HA 0.209 nan 4.420 nan 0.000 0.271 9 P C -0.606 176.693 177.300 -0.002 0.000 1.226 9 P CA 0.120 63.246 63.100 0.043 0.000 0.765 9 P CB 1.345 33.065 31.700 0.034 0.000 0.835 10 V N 4.620 124.502 119.914 -0.054 0.000 2.769 10 V HA 0.475 4.595 4.120 -0.000 0.000 0.312 10 V C 0.571 176.538 176.094 -0.211 0.000 1.058 10 V CA -0.519 61.633 62.300 -0.245 0.000 0.952 10 V CB 1.924 33.408 31.823 -0.566 0.000 1.019 10 V HN 0.528 nan 8.190 nan 0.000 0.445 11 K N 2.081 122.356 120.400 -0.208 0.000 2.433 11 K HA 0.751 5.071 4.320 -0.000 0.000 0.252 11 K C -1.645 174.965 176.600 0.016 0.000 1.015 11 K CA -0.888 55.385 56.287 -0.023 0.000 0.860 11 K CB 2.370 34.841 32.500 -0.049 0.000 1.359 11 K HN 0.382 nan 8.250 nan 0.000 0.452 12 L N 1.731 122.985 121.223 0.052 0.000 2.331 12 L HA 0.416 4.756 4.340 -0.000 0.000 0.275 12 L C -0.063 176.804 176.870 -0.005 0.000 1.022 12 L CA -0.933 53.927 54.840 0.033 0.000 0.812 12 L CB 1.257 43.278 42.059 -0.064 0.000 1.257 12 L HN 0.416 nan 8.230 nan 0.000 0.435 13 K N 1.756 122.152 120.400 -0.006 0.000 2.606 13 K HA -0.047 4.273 4.320 -0.000 0.000 0.279 13 K C -2.278 174.321 176.600 -0.003 0.000 0.961 13 K CA -1.021 55.257 56.287 -0.015 0.000 1.002 13 K CB -0.469 32.029 32.500 -0.003 0.000 0.871 13 K HN 0.285 nan 8.250 nan 0.000 0.508 14 P HA -0.132 nan 4.420 nan 0.000 0.260 14 P C 0.738 178.049 177.300 0.018 0.000 1.172 14 P CA 1.235 64.337 63.100 0.004 0.000 0.760 14 P CB 0.352 32.051 31.700 -0.002 0.000 0.773 15 G N 2.430 111.247 108.800 0.028 0.000 2.302 15 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.263 15 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.263 15 G C 0.284 175.215 174.900 0.052 0.000 0.995 15 G CA 0.104 45.227 45.100 0.039 0.000 0.622 15 G HN 0.481 nan 8.290 nan 0.000 0.538 16 M N 0.890 120.518 119.600 0.047 0.000 2.233 16 M HA 0.446 4.926 4.480 -0.000 0.000 0.350 16 M C 0.103 176.450 176.300 0.079 0.000 1.176 16 M CA -0.076 55.260 55.300 0.060 0.000 1.150 16 M CB 0.919 33.546 32.600 0.045 0.000 1.530 16 M HN 0.280 nan 8.290 nan 0.000 0.459 17 D N 1.262 121.738 120.400 0.126 0.000 2.299 17 D HA 0.512 5.152 4.640 -0.000 0.000 0.243 17 D C 0.192 176.629 176.300 0.228 0.000 0.982 17 D CA -0.173 53.956 54.000 0.214 0.000 0.924 17 D CB 1.367 42.337 40.800 0.283 0.000 1.238 17 D HN 0.660 nan 8.370 nan 0.000 0.484 18 G N 1.150 110.114 108.800 0.274 0.000 2.902 18 G HA2 0.158 4.118 3.960 -0.000 0.000 0.240 18 G HA3 0.158 4.118 3.960 -0.000 0.000 0.240 18 G C -2.144 172.934 174.900 0.297 0.000 1.244 18 G CA -0.739 44.407 45.100 0.076 0.000 0.862 18 G HN 0.523 nan 8.290 nan 0.000 0.603 19 P HA 0.290 nan 4.420 nan 0.000 0.285 19 P C -1.050 176.463 177.300 0.355 0.000 1.259 19 P CA -0.267 62.992 63.100 0.265 0.000 0.794 19 P CB 1.324 33.138 31.700 0.189 0.000 0.940 20 K N 2.470 123.022 120.400 0.254 0.000 2.575 20 K HA 0.463 4.783 4.320 -0.000 0.000 0.236 20 K C -1.144 175.539 176.600 0.138 0.000 0.976 20 K CA -0.754 55.647 56.287 0.190 0.000 0.985 20 K CB 1.705 34.279 32.500 0.123 0.000 1.198 20 K HN 0.211 nan 8.250 nan 0.000 0.464 21 V N 3.672 123.667 119.914 0.135 0.000 2.462 21 V HA 0.151 4.271 4.120 -0.000 0.000 0.288 21 V C -0.189 175.982 176.094 0.129 0.000 1.020 21 V CA -0.973 61.396 62.300 0.116 0.000 0.857 21 V CB 1.568 33.441 31.823 0.085 0.000 1.013 21 V HN 0.494 nan 8.190 nan 0.000 0.431 22 K N 2.582 123.070 120.400 0.147 0.000 2.414 22 K HA 0.195 4.515 4.320 -0.000 0.000 0.272 22 K C 0.114 176.852 176.600 0.229 0.000 0.993 22 K CA -0.038 56.348 56.287 0.164 0.000 0.964 22 K CB 0.810 33.399 32.500 0.148 0.000 0.925 22 K HN 0.719 nan 8.250 nan 0.000 0.487 23 Q N 2.277 122.198 119.800 0.201 0.000 2.304 23 Q HA 0.068 4.408 4.340 -0.000 0.000 0.260 23 Q C -1.209 174.983 176.000 0.320 0.000 0.965 23 Q CA 0.116 56.055 55.803 0.227 0.000 0.898 23 Q CB 0.428 29.258 28.738 0.154 0.000 1.196 23 Q HN 0.265 nan 8.270 nan 0.000 0.402 24 W N 7.306 128.599 121.300 -0.013 0.000 2.416 24 W HA 0.325 4.985 4.660 -0.000 0.000 0.318 24 W C -1.894 174.572 176.519 -0.089 0.000 1.150 24 W CA -2.323 54.992 57.345 -0.052 0.000 1.392 24 W CB 0.177 29.594 29.460 -0.071 0.000 1.311 24 W HN 0.568 nan 8.180 nan 0.000 0.436 25 P HA 0.508 nan 4.420 nan 0.000 0.274 25 P C -1.036 176.262 177.300 -0.002 0.000 1.237 25 P CA -0.269 62.844 63.100 0.022 0.000 0.793 25 P CB 2.157 33.855 31.700 -0.003 0.000 0.977 26 L N -0.099 121.114 121.223 -0.016 0.000 3.025 26 L HA 0.166 4.506 4.340 -0.000 0.000 0.240 26 L C -0.922 175.935 176.870 -0.022 0.000 0.985 26 L CA 0.385 55.211 54.840 -0.022 0.000 1.029 26 L CB 0.519 42.566 42.059 -0.020 0.000 1.519 26 L HN 0.646 nan 8.230 nan 0.000 0.422 27 T N 2.135 116.679 114.554 -0.017 0.000 3.501 27 T HA -0.116 4.234 4.350 -0.000 0.000 0.411 27 T C 0.779 175.475 174.700 -0.007 0.000 0.766 27 T CA 1.148 63.242 62.100 -0.010 0.000 2.129 27 T CB -1.018 67.845 68.868 -0.009 0.000 1.711 27 T HN 0.825 nan 8.240 nan 0.000 0.712 28 E N 1.076 121.271 120.200 -0.009 0.000 2.273 28 E HA -0.185 4.165 4.350 -0.000 0.000 0.198 28 E C 2.101 178.700 176.600 -0.001 0.000 1.002 28 E CA 1.581 57.976 56.400 -0.007 0.000 0.828 28 E CB -0.024 29.670 29.700 -0.011 0.000 0.747 28 E HN 0.945 nan 8.360 nan 0.000 0.491 29 E N 1.308 121.508 120.200 0.001 0.000 2.072 29 E HA -0.219 4.130 4.350 -0.000 0.000 0.191 29 E C 1.644 178.251 176.600 0.011 0.000 0.985 29 E CA 1.067 57.470 56.400 0.005 0.000 0.801 29 E CB -0.219 29.484 29.700 0.005 0.000 0.750 29 E HN 0.175 nan 8.360 nan 0.000 0.452 30 K N 0.719 121.127 120.400 0.013 0.000 2.026 30 K HA -0.109 4.211 4.320 -0.000 0.000 0.208 30 K C 2.624 179.240 176.600 0.027 0.000 1.048 30 K CA 1.811 58.112 56.287 0.023 0.000 0.929 30 K CB -0.771 31.742 32.500 0.021 0.000 0.713 30 K HN 0.293 nan 8.250 nan 0.000 0.439 31 I N 1.654 122.234 120.570 0.016 0.000 2.290 31 I HA -0.318 3.852 4.170 -0.000 0.000 0.253 31 I C 2.201 178.326 176.117 0.015 0.000 1.112 31 I CA 2.279 63.587 61.300 0.013 0.000 1.377 31 I CB -1.010 36.989 38.000 -0.002 0.000 1.060 31 I HN 0.235 nan 8.210 nan 0.000 0.428 32 K N -0.001 120.408 120.400 0.014 0.000 2.202 32 K HA 0.213 4.533 4.320 -0.000 0.000 0.201 32 K C 2.441 179.058 176.600 0.028 0.000 1.051 32 K CA 0.989 57.285 56.287 0.015 0.000 0.977 32 K CB -0.199 32.306 32.500 0.009 0.000 0.792 32 K HN 0.550 nan 8.250 nan 0.000 0.469 33 A N 1.815 124.653 122.820 0.030 0.000 1.927 33 A HA -0.200 4.120 4.320 -0.000 0.000 0.220 33 A C 2.046 179.662 177.584 0.053 0.000 1.185 33 A CA 1.541 53.601 52.037 0.037 0.000 0.639 33 A CB -0.739 18.284 19.000 0.037 0.000 0.820 33 A HN 0.307 nan 8.150 nan 0.000 0.451 34 L N -0.716 120.548 121.223 0.069 0.000 1.961 34 L HA -0.180 4.159 4.340 -0.000 0.000 0.210 34 L C 2.522 179.455 176.870 0.106 0.000 1.072 34 L CA 1.534 56.436 54.840 0.103 0.000 0.749 34 L CB -0.801 41.332 42.059 0.124 0.000 0.889 34 L HN 0.255 nan 8.230 nan 0.000 0.432 35 V N -0.064 119.906 119.914 0.093 0.000 2.439 35 V HA -0.357 3.763 4.120 -0.000 0.000 0.253 35 V C 2.421 178.561 176.094 0.078 0.000 1.074 35 V CA 2.137 64.500 62.300 0.106 0.000 1.076 35 V CB -0.785 31.070 31.823 0.053 0.000 0.664 35 V HN 0.526 nan 8.190 nan 0.000 0.461 36 E N 0.317 120.548 120.200 0.051 0.000 2.017 36 E HA -0.212 4.138 4.350 -0.000 0.000 0.193 36 E C 2.150 178.763 176.600 0.022 0.000 0.997 36 E CA 1.964 58.383 56.400 0.031 0.000 0.804 36 E CB -0.174 29.541 29.700 0.026 0.000 0.757 36 E HN 0.604 nan 8.360 nan 0.000 0.448 37 I N 0.583 121.169 120.570 0.026 0.000 2.090 37 I HA -0.358 3.812 4.170 -0.000 0.000 0.236 37 I C 2.706 178.809 176.117 -0.024 0.000 1.064 37 I CA 0.980 62.282 61.300 0.004 0.000 1.324 37 I CB -0.553 37.459 38.000 0.021 0.000 1.044 37 I HN 0.358 nan 8.210 nan 0.000 0.399 38 C N 0.560 119.867 119.300 0.011 0.000 2.391 38 C HA -0.270 4.190 4.460 -0.000 0.000 0.276 38 C C 3.041 177.929 174.990 -0.170 0.000 1.191 38 C CA 1.858 60.837 59.018 -0.066 0.000 1.808 38 C CB -1.458 26.369 27.740 0.145 0.000 2.095 38 C HN 0.574 nan 8.230 nan 0.000 0.478 39 T N -0.299 114.229 114.554 -0.043 0.000 2.701 39 T HA -0.175 4.174 4.350 -0.000 0.000 0.263 39 T C 1.639 176.292 174.700 -0.079 0.000 1.040 39 T CA 1.776 63.852 62.100 -0.041 0.000 1.147 39 T CB -0.342 68.537 68.868 0.017 0.000 0.865 39 T HN 0.540 nan 8.240 nan 0.000 0.426 40 E N 0.211 120.372 120.200 -0.064 0.000 2.463 40 E HA 0.039 4.389 4.350 -0.000 0.000 0.201 40 E C 1.858 178.392 176.600 -0.111 0.000 1.045 40 E CA 0.663 57.022 56.400 -0.069 0.000 0.872 40 E CB -0.177 29.492 29.700 -0.051 0.000 0.797 40 E HN 0.480 nan 8.360 nan 0.000 0.538 41 M N -0.554 118.950 119.600 -0.160 0.000 2.224 41 M HA -0.067 4.413 4.480 -0.000 0.000 0.253 41 M C 2.201 178.360 176.300 -0.234 0.000 1.115 41 M CA 1.465 56.628 55.300 -0.228 0.000 1.168 41 M CB -0.299 32.126 32.600 -0.292 0.000 1.288 41 M HN 0.137 nan 8.290 nan 0.000 0.446 42 E N 0.867 120.886 120.200 -0.302 0.000 2.147 42 E HA -0.314 4.036 4.350 -0.000 0.000 0.199 42 E C 1.819 178.335 176.600 -0.140 0.000 1.005 42 E CA 1.779 58.022 56.400 -0.262 0.000 0.810 42 E CB -0.464 29.051 29.700 -0.309 0.000 0.736 42 E HN 0.402 nan 8.360 nan 0.000 0.460 43 K N 0.968 121.299 120.400 -0.117 0.000 1.987 43 K HA -0.250 4.070 4.320 -0.000 0.000 0.216 43 K C 1.972 178.534 176.600 -0.063 0.000 1.051 43 K CA 2.255 58.500 56.287 -0.070 0.000 0.942 43 K CB -0.152 32.312 32.500 -0.059 0.000 0.722 43 K HN 0.251 nan 8.250 nan 0.000 0.444 44 E N -1.161 118.992 120.200 -0.078 0.000 2.463 44 E HA -0.073 4.277 4.350 -0.000 0.000 0.201 44 E C 0.987 177.556 176.600 -0.050 0.000 1.045 44 E CA 0.511 56.874 56.400 -0.061 0.000 0.872 44 E CB 0.001 29.655 29.700 -0.076 0.000 0.797 44 E HN 0.734 nan 8.360 nan 0.000 0.538 45 G N 1.337 110.096 108.800 -0.068 0.000 2.175 45 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.244 45 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.244 45 G C 0.861 175.735 174.900 -0.044 0.000 0.982 45 G CA 0.442 45.516 45.100 -0.044 0.000 0.641 45 G HN 0.264 nan 8.290 nan 0.000 0.527 46 K N 0.219 120.565 120.400 -0.089 0.000 2.360 46 K HA 0.205 4.525 4.320 -0.000 0.000 0.201 46 K C 1.393 177.908 176.600 -0.142 0.000 1.046 46 K CA 1.447 57.690 56.287 -0.072 0.000 0.945 46 K CB -0.070 32.299 32.500 -0.217 0.000 0.750 46 K HN 0.824 nan 8.250 nan 0.000 0.464 47 I N -5.030 115.413 120.570 -0.212 0.000 3.334 47 I HA 0.411 4.581 4.170 -0.000 0.000 0.316 47 I C -1.240 174.791 176.117 -0.144 0.000 1.251 47 I CA -1.183 59.976 61.300 -0.235 0.000 0.929 47 I CB 2.455 40.196 38.000 -0.431 0.000 1.317 47 I HN -0.378 nan 8.210 nan 0.000 0.479 48 S N 0.512 116.191 115.700 -0.034 0.000 2.543 48 S HA 0.354 4.824 4.470 -0.000 0.000 0.273 48 S C -1.007 173.733 174.600 0.234 0.000 1.152 48 S CA -0.856 57.379 58.200 0.059 0.000 0.910 48 S CB 2.157 65.388 63.200 0.053 0.000 1.105 48 S HN 0.527 nan 8.310 nan 0.000 0.465 49 K N 2.269 122.838 120.400 0.282 0.000 2.485 49 K HA 0.266 4.586 4.320 -0.000 0.000 0.277 49 K C -0.203 176.461 176.600 0.107 0.000 0.990 49 K CA 0.401 56.825 56.287 0.227 0.000 0.994 49 K CB 0.063 32.641 32.500 0.130 0.000 0.906 49 K HN 0.585 nan 8.250 nan 0.000 0.488 50 I N -1.076 119.524 120.570 0.051 0.000 2.533 50 I HA 0.378 4.548 4.170 -0.000 0.000 0.290 50 I C 0.270 176.387 176.117 -0.001 0.000 1.056 50 I CA -1.240 60.081 61.300 0.035 0.000 1.057 50 I CB 1.885 39.922 38.000 0.060 0.000 1.240 50 I HN 0.516 nan 8.210 nan 0.000 0.423 51 G N 5.190 113.991 108.800 0.002 0.000 2.353 51 G HA2 0.258 4.218 3.960 -0.000 0.000 0.239 51 G HA3 0.258 4.218 3.960 -0.000 0.000 0.239 51 G C -1.975 172.915 174.900 -0.016 0.000 1.295 51 G CA -0.888 44.206 45.100 -0.011 0.000 0.884 51 G HN 0.654 nan 8.290 nan 0.000 0.537 52 P HA 0.058 nan 4.420 nan 0.000 0.238 52 P C -0.895 176.387 177.300 -0.030 0.000 1.679 52 P CA 0.418 63.499 63.100 -0.032 0.000 1.080 52 P CB -0.421 31.257 31.700 -0.038 0.000 1.961 53 E N 1.158 121.342 120.200 -0.027 0.000 2.311 53 E HA 0.335 4.685 4.350 -0.000 0.000 0.281 53 E C 0.020 176.603 176.600 -0.029 0.000 0.905 53 E CA -1.004 55.379 56.400 -0.029 0.000 0.778 53 E CB 0.751 30.441 29.700 -0.017 0.000 1.240 53 E HN -0.082 nan 8.360 nan 0.000 0.410 54 N N -1.087 117.580 118.700 -0.056 0.000 2.925 54 N HA -0.093 4.647 4.740 -0.000 0.000 0.244 54 N C -2.393 173.066 175.510 -0.085 0.000 1.000 54 N CA 0.450 53.465 53.050 -0.058 0.000 0.895 54 N CB -1.798 36.693 38.487 0.006 0.000 1.119 54 N HN 0.410 nan 8.380 nan 0.000 0.569 55 P HA 0.289 nan 4.420 nan 0.000 0.271 55 P C -0.269 176.888 177.300 -0.239 0.000 1.218 55 P CA 0.424 63.485 63.100 -0.065 0.000 0.780 55 P CB 0.370 32.047 31.700 -0.038 0.000 0.901 56 Y N -0.093 120.210 120.300 0.005 0.000 3.068 56 Y HA 0.599 5.149 4.550 -0.000 0.000 0.302 56 Y C 0.308 176.249 175.900 0.069 0.000 1.610 56 Y CA -0.546 57.576 58.100 0.038 0.000 1.078 56 Y CB 1.468 39.953 38.460 0.042 0.000 1.418 56 Y HN 0.282 nan 8.280 nan 0.000 0.525 57 N N -0.859 118.020 118.700 0.297 0.000 4.059 57 N HA 0.243 4.982 4.740 -0.000 0.000 0.212 57 N C -2.089 173.527 175.510 0.175 0.000 1.159 57 N CA -0.123 53.059 53.050 0.220 0.000 0.967 57 N CB 1.862 40.449 38.487 0.166 0.000 1.589 57 N HN 0.729 nan 8.380 nan 0.000 0.549 58 T N -0.541 114.093 114.554 0.134 0.000 2.900 58 T HA 0.611 4.961 4.350 -0.000 0.000 0.295 58 T C -3.006 171.711 174.700 0.028 0.000 1.044 58 T CA -1.580 60.526 62.100 0.011 0.000 0.995 58 T CB 2.123 70.870 68.868 -0.202 0.000 1.072 58 T HN 0.259 nan 8.240 nan 0.000 0.473 59 P HA 0.159 nan 4.420 nan 0.000 0.261 59 P C -0.328 177.101 177.300 0.215 0.000 1.203 59 P CA -0.162 63.044 63.100 0.176 0.000 0.767 59 P CB 0.220 32.048 31.700 0.213 0.000 0.785 60 V N 5.391 125.542 119.914 0.395 0.000 2.509 60 V HA 0.424 4.544 4.120 -0.000 0.000 0.284 60 V C 0.278 176.791 176.094 0.699 0.000 1.047 60 V CA -0.044 62.520 62.300 0.440 0.000 0.952 60 V CB 0.113 32.187 31.823 0.418 0.000 0.988 60 V HN 0.333 nan 8.190 nan 0.000 0.469 61 F N 1.313 121.305 119.950 0.070 0.000 2.650 61 F HA 0.897 5.424 4.527 -0.000 0.000 0.320 61 F C 0.178 176.019 175.800 0.069 0.000 1.091 61 F CA -1.344 56.689 58.000 0.055 0.000 0.962 61 F CB 2.061 41.074 39.000 0.023 0.000 1.363 61 F HN 0.611 nan 8.300 nan 0.000 0.482 62 A N 2.123 125.084 122.820 0.236 0.000 2.427 62 A HA 0.875 5.195 4.320 -0.000 0.000 0.298 62 A C -1.610 176.049 177.584 0.124 0.000 1.036 62 A CA -0.430 51.699 52.037 0.152 0.000 0.701 62 A CB 1.255 20.318 19.000 0.105 0.000 1.250 62 A HN 0.507 nan 8.150 nan 0.000 0.412 63 I N 0.181 120.815 120.570 0.106 0.000 3.263 63 I HA 0.520 4.690 4.170 -0.000 0.000 0.314 63 I C -1.109 175.045 176.117 0.062 0.000 1.269 63 I CA -0.872 60.478 61.300 0.084 0.000 0.942 63 I CB 2.451 40.510 38.000 0.099 0.000 1.305 63 I HN 0.719 nan 8.210 nan 0.000 0.474 64 K N 2.030 122.460 120.400 0.049 0.000 2.716 64 K HA 0.219 4.539 4.320 -0.000 0.000 0.249 64 K C 0.366 176.985 176.600 0.032 0.000 1.004 64 K CA -0.574 55.735 56.287 0.037 0.000 0.968 64 K CB 1.516 34.035 32.500 0.031 0.000 1.214 64 K HN 0.433 nan 8.250 nan 0.000 0.476 65 K N 2.347 122.764 120.400 0.029 0.000 2.379 65 K HA 0.080 4.400 4.320 -0.000 0.000 0.194 65 K C -0.234 176.376 176.600 0.016 0.000 1.031 65 K CA 0.676 56.976 56.287 0.022 0.000 1.037 65 K CB 0.288 32.800 32.500 0.020 0.000 0.824 65 K HN 0.351 nan 8.250 nan 0.000 0.516 66 K N 0.630 121.040 120.400 0.017 0.000 2.642 66 K HA 0.261 4.581 4.320 -0.000 0.000 0.273 66 K C -0.269 176.338 176.600 0.012 0.000 1.029 66 K CA -0.784 55.510 56.287 0.013 0.000 1.071 66 K CB 0.162 32.670 32.500 0.013 0.000 1.451 66 K HN -0.175 nan 8.250 nan 0.000 0.559 67 D N 1.669 122.075 120.400 0.010 0.000 2.367 67 D HA -0.011 4.629 4.640 -0.000 0.000 0.255 67 D C -0.479 175.828 176.300 0.011 0.000 1.300 67 D CA 0.324 54.330 54.000 0.009 0.000 0.959 67 D CB 0.548 41.352 40.800 0.008 0.000 1.064 67 D HN 0.335 nan 8.370 nan 0.000 0.509 68 S N 1.593 117.300 115.700 0.012 0.000 2.810 68 S HA -0.047 4.423 4.470 -0.000 0.000 0.329 68 S C 0.975 175.583 174.600 0.013 0.000 1.231 68 S CA 0.576 58.784 58.200 0.013 0.000 1.042 68 S CB 0.384 63.592 63.200 0.013 0.000 0.756 68 S HN 0.536 nan 8.310 nan 0.000 0.504 69 T N 2.923 117.486 114.554 0.015 0.000 3.705 69 T HA 0.326 4.676 4.350 -0.000 0.000 0.267 69 T C 0.023 174.732 174.700 0.016 0.000 0.954 69 T CA 0.341 62.450 62.100 0.014 0.000 1.149 69 T CB -0.108 68.768 68.868 0.013 0.000 1.118 69 T HN 0.650 nan 8.240 nan 0.000 0.414 70 K N 0.746 121.157 120.400 0.019 0.000 2.358 70 K HA 0.609 4.929 4.320 -0.000 0.000 0.260 70 K C -0.350 176.267 176.600 0.028 0.000 0.956 70 K CA -0.377 55.922 56.287 0.021 0.000 0.834 70 K CB -0.727 31.786 32.500 0.020 0.000 1.102 70 K HN 0.620 nan 8.250 nan 0.000 0.431 71 W N 0.099 121.418 121.300 0.031 0.000 2.158 71 W HA 0.548 5.208 4.660 -0.000 0.000 0.339 71 W C 0.616 177.164 176.519 0.048 0.000 1.294 71 W CA -0.072 57.297 57.345 0.040 0.000 1.231 71 W CB -0.284 29.200 29.460 0.041 0.000 1.143 71 W HN 1.412 nan 8.180 nan 0.000 0.571 72 R N 2.679 123.215 120.500 0.060 0.000 2.750 72 R HA 0.633 4.973 4.340 -0.000 0.000 0.281 72 R C -0.084 176.273 176.300 0.095 0.000 0.972 72 R CA -0.612 55.529 56.100 0.070 0.000 0.912 72 R CB 1.180 31.517 30.300 0.062 0.000 1.187 72 R HN 0.979 nan 8.270 nan 0.000 0.464 73 K N 0.994 121.458 120.400 0.108 0.000 2.202 73 K HA 0.567 4.887 4.320 -0.000 0.000 0.264 73 K C -1.235 175.446 176.600 0.134 0.000 1.010 73 K CA -0.363 56.009 56.287 0.142 0.000 0.940 73 K CB 0.660 33.253 32.500 0.156 0.000 0.983 73 K HN 0.392 nan 8.250 nan 0.000 0.475 74 L N 4.057 125.363 121.223 0.138 0.000 2.516 74 L HA 0.281 4.620 4.340 -0.000 0.000 0.267 74 L C -1.607 175.242 176.870 -0.036 0.000 0.957 74 L CA -0.380 54.493 54.840 0.055 0.000 0.860 74 L CB 2.188 44.275 42.059 0.048 0.000 1.265 74 L HN 0.394 nan 8.230 nan 0.000 0.403 75 V N 3.089 122.932 119.914 -0.118 0.000 2.260 75 V HA 0.278 4.398 4.120 -0.000 0.000 0.263 75 V C -0.311 175.518 176.094 -0.442 0.000 1.036 75 V CA -0.787 61.315 62.300 -0.331 0.000 0.874 75 V CB 0.828 32.383 31.823 -0.446 0.000 1.116 75 V HN 0.704 nan 8.190 nan 0.000 0.454 76 D N 1.926 122.041 120.400 -0.475 0.000 2.426 76 D HA 0.091 4.731 4.640 -0.000 0.000 0.261 76 D C 0.532 176.660 176.300 -0.287 0.000 1.245 76 D CA 0.786 54.583 54.000 -0.338 0.000 0.917 76 D CB 0.377 40.918 40.800 -0.431 0.000 1.123 76 D HN 0.462 nan 8.370 nan 0.000 0.508 77 F N 2.675 122.579 119.950 -0.076 0.000 2.727 77 F HA 0.094 4.621 4.527 -0.000 0.000 0.302 77 F C 1.999 177.815 175.800 0.026 0.000 1.097 77 F CA -0.542 57.454 58.000 -0.008 0.000 1.330 77 F CB 0.276 39.300 39.000 0.039 0.000 1.084 77 F HN 0.229 nan 8.300 nan 0.000 0.578 78 R N 0.670 121.252 120.500 0.137 0.000 2.234 78 R HA -0.299 4.041 4.340 -0.000 0.000 0.241 78 R C 1.904 178.273 176.300 0.114 0.000 1.115 78 R CA 2.000 58.156 56.100 0.093 0.000 0.913 78 R CB -1.168 29.145 30.300 0.021 0.000 0.911 78 R HN 0.204 nan 8.270 nan 0.000 0.430 79 E N 0.601 120.856 120.200 0.090 0.000 2.333 79 E HA -0.141 4.209 4.350 -0.000 0.000 0.200 79 E C 1.719 178.409 176.600 0.151 0.000 1.010 79 E CA 0.603 57.063 56.400 0.101 0.000 0.841 79 E CB -0.225 29.523 29.700 0.080 0.000 0.757 79 E HN 0.203 nan 8.360 nan 0.000 0.508 80 L N 0.202 121.561 121.223 0.226 0.000 2.071 80 L HA -0.026 4.314 4.340 -0.000 0.000 0.201 80 L C 1.446 178.483 176.870 0.279 0.000 1.076 80 L CA 1.599 56.609 54.840 0.283 0.000 0.755 80 L CB -0.906 41.435 42.059 0.470 0.000 0.915 80 L HN 0.026 nan 8.230 nan 0.000 0.445 81 N N 0.702 119.578 118.700 0.293 0.000 2.021 81 N HA -0.294 4.445 4.740 -0.000 0.000 0.198 81 N C 1.819 177.410 175.510 0.135 0.000 1.041 81 N CA 1.826 54.997 53.050 0.202 0.000 0.862 81 N CB -0.522 38.036 38.487 0.118 0.000 1.048 81 N HN 0.354 nan 8.380 nan 0.000 0.427 82 K N 0.469 120.935 120.400 0.109 0.000 2.259 82 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 82 K C 1.317 177.963 176.600 0.078 0.000 1.044 82 K CA 1.344 57.677 56.287 0.076 0.000 0.931 82 K CB 0.047 32.590 32.500 0.072 0.000 0.726 82 K HN 0.249 nan 8.250 nan 0.000 0.467 83 R N -0.573 119.991 120.500 0.107 0.000 2.397 83 R HA 0.065 4.405 4.340 -0.000 0.000 0.241 83 R C -0.121 176.244 176.300 0.107 0.000 0.914 83 R CA 0.131 56.284 56.100 0.089 0.000 1.071 83 R CB 0.926 31.272 30.300 0.077 0.000 1.116 83 R HN 0.027 nan 8.270 nan 0.000 0.524 84 T N 2.200 116.854 114.554 0.167 0.000 2.806 84 T HA 0.134 4.484 4.350 -0.000 0.000 0.290 84 T C 0.034 174.748 174.700 0.024 0.000 0.966 84 T CA -0.849 61.369 62.100 0.197 0.000 1.060 84 T CB 1.420 70.510 68.868 0.369 0.000 0.927 84 T HN 0.168 nan 8.240 nan 0.000 0.485 85 Q N 2.309 122.053 119.800 -0.094 0.000 2.414 85 Q HA 0.073 4.413 4.340 -0.000 0.000 0.288 85 Q C -0.520 175.262 176.000 -0.364 0.000 1.086 85 Q CA -0.057 55.606 55.803 -0.234 0.000 0.943 85 Q CB 0.244 28.787 28.738 -0.325 0.000 1.282 85 Q HN 0.494 nan 8.270 nan 0.000 0.438 86 D N 0.923 121.163 120.400 -0.267 0.000 2.382 86 D HA 0.151 4.791 4.640 -0.000 0.000 0.240 86 D C -0.511 175.560 176.300 -0.381 0.000 1.146 86 D CA 0.409 54.299 54.000 -0.183 0.000 0.897 86 D CB 0.401 41.151 40.800 -0.083 0.000 1.197 86 D HN 0.352 nan 8.370 nan 0.000 0.432 87 F N -0.497 119.392 119.950 -0.102 0.000 2.732 87 F HA 0.340 4.867 4.527 -0.000 0.000 0.394 87 F C 0.197 176.047 175.800 0.082 0.000 1.194 87 F CA -1.050 56.911 58.000 -0.065 0.000 1.127 87 F CB 0.641 39.542 39.000 -0.165 0.000 1.470 87 F HN 0.303 nan 8.300 nan 0.000 0.505 88 W N 2.347 123.697 121.300 0.085 0.000 2.335 88 W HA 0.285 4.945 4.660 -0.000 0.000 0.306 88 W C -0.374 176.133 176.519 -0.020 0.000 1.216 88 W CA -0.667 56.677 57.345 -0.003 0.000 1.237 88 W CB 0.639 30.085 29.460 -0.023 0.000 1.243 88 W HN 0.477 nan 8.180 nan 0.000 0.493 89 E N 2.987 122.850 120.200 -0.562 0.000 2.568 89 E HA -0.095 4.255 4.350 -0.000 0.000 0.262 89 E C 0.267 176.358 176.600 -0.848 0.000 0.961 89 E CA 0.179 56.157 56.400 -0.704 0.000 0.945 89 E CB 0.783 30.029 29.700 -0.757 0.000 0.924 89 E HN 0.370 nan 8.360 nan 0.000 0.467 90 V N 1.581 121.198 119.914 -0.493 0.000 2.732 90 V HA 0.048 4.168 4.120 -0.000 0.000 0.297 90 V C 0.322 176.178 176.094 -0.396 0.000 1.060 90 V CA -0.939 61.116 62.300 -0.409 0.000 1.038 90 V CB 1.151 32.805 31.823 -0.282 0.000 1.003 90 V HN 0.601 nan 8.190 nan 0.000 0.481 91 Q N 1.877 121.476 119.800 -0.335 0.000 2.608 91 Q HA -0.039 4.301 4.340 -0.000 0.000 0.301 91 Q C -0.236 175.615 176.000 -0.249 0.000 1.257 91 Q CA 0.096 55.739 55.803 -0.268 0.000 1.044 91 Q CB -0.178 28.436 28.738 -0.206 0.000 1.232 91 Q HN 0.626 nan 8.270 nan 0.000 0.448 92 L N 3.091 124.178 121.223 -0.228 0.000 2.796 92 L HA 0.331 4.671 4.340 -0.000 0.000 0.235 92 L C 0.221 177.027 176.870 -0.108 0.000 1.344 92 L CA 0.394 55.130 54.840 -0.173 0.000 1.245 92 L CB -0.003 41.958 42.059 -0.164 0.000 1.556 92 L HN 0.528 nan 8.230 nan 0.000 0.423 93 G N 0.239 108.983 108.800 -0.092 0.000 2.708 93 G HA2 0.650 4.610 3.960 -0.000 0.000 0.289 93 G HA3 0.650 4.610 3.960 -0.000 0.000 0.289 93 G C -1.782 173.142 174.900 0.040 0.000 1.416 93 G CA -0.488 44.604 45.100 -0.013 0.000 0.829 93 G HN -0.016 nan 8.290 nan 0.000 0.480 94 I N 1.427 122.082 120.570 0.141 0.000 2.512 94 I HA 0.347 4.517 4.170 -0.000 0.000 0.287 94 I C -2.047 174.284 176.117 0.357 0.000 1.069 94 I CA -1.812 59.666 61.300 0.297 0.000 1.056 94 I CB 2.423 40.592 38.000 0.281 0.000 1.229 94 I HN 0.228 nan 8.210 nan 0.000 0.429 95 P HA -0.118 nan 4.420 nan 0.000 0.250 95 P C -0.375 177.121 177.300 0.327 0.000 1.161 95 P CA 0.282 63.616 63.100 0.390 0.000 0.863 95 P CB 0.020 32.031 31.700 0.517 0.000 0.827 96 H N 5.721 124.831 119.070 0.066 0.000 2.886 96 H HA 0.058 4.614 4.556 -0.000 0.000 0.329 96 H C -1.424 173.715 175.328 -0.315 0.000 1.044 96 H CA -1.562 54.414 56.048 -0.120 0.000 1.456 96 H CB 0.702 30.333 29.762 -0.218 0.000 1.464 96 H HN 0.191 nan 8.280 nan 0.000 0.573 97 P HA -0.178 nan 4.420 nan 0.000 0.215 97 P C 1.238 178.310 177.300 -0.381 0.000 1.157 97 P CA 2.349 65.105 63.100 -0.573 0.000 0.874 97 P CB -0.076 30.865 31.700 -1.266 0.000 0.790 98 A N -0.601 121.980 122.820 -0.398 0.000 2.104 98 A HA -0.151 4.169 4.320 -0.000 0.000 0.223 98 A C 1.997 179.665 177.584 0.140 0.000 1.164 98 A CA 2.041 54.007 52.037 -0.118 0.000 0.659 98 A CB -1.616 17.227 19.000 -0.262 0.000 0.808 98 A HN 0.361 nan 8.150 nan 0.000 0.465 99 G N -1.419 107.323 108.800 -0.097 0.000 3.899 99 G HA2 0.485 4.444 3.960 -0.000 0.000 0.293 99 G HA3 0.485 4.444 3.960 -0.000 0.000 0.293 99 G C 0.004 174.957 174.900 0.088 0.000 1.054 99 G CA -0.385 44.669 45.100 -0.077 0.000 0.846 99 G HN 0.302 nan 8.290 nan 0.000 0.525 100 L N 0.459 121.756 121.223 0.123 0.000 2.379 100 L HA 0.434 4.774 4.340 -0.000 0.000 0.269 100 L C 0.153 177.082 176.870 0.098 0.000 1.084 100 L CA -0.777 54.068 54.840 0.008 0.000 0.802 100 L CB 1.701 43.575 42.059 -0.308 0.000 1.175 100 L HN -0.052 nan 8.230 nan 0.000 0.448 101 K N 2.651 123.081 120.400 0.050 0.000 2.276 101 K HA 0.153 4.473 4.320 -0.000 0.000 0.285 101 K C -0.432 176.140 176.600 -0.047 0.000 1.062 101 K CA -0.615 55.727 56.287 0.093 0.000 0.918 101 K CB 0.775 33.343 32.500 0.114 0.000 1.055 101 K HN 0.411 nan 8.250 nan 0.000 0.477 102 K N 2.729 123.163 120.400 0.058 0.000 2.367 102 K HA -0.015 4.305 4.320 -0.000 0.000 0.275 102 K C -0.353 176.243 176.600 -0.006 0.000 1.125 102 K CA 0.249 56.573 56.287 0.061 0.000 1.133 102 K CB 0.218 32.816 32.500 0.163 0.000 0.875 102 K HN 0.111 nan 8.250 nan 0.000 0.467 103 K N 2.871 123.228 120.400 -0.071 0.000 2.221 103 K HA 0.267 4.587 4.320 -0.000 0.000 0.243 103 K C 0.525 177.091 176.600 -0.057 0.000 0.968 103 K CA -0.859 55.387 56.287 -0.068 0.000 0.846 103 K CB 1.511 33.946 32.500 -0.109 0.000 1.141 103 K HN 0.398 nan 8.250 nan 0.000 0.434 104 K N 0.033 120.391 120.400 -0.070 0.000 1.995 104 K HA 0.053 4.373 4.320 -0.000 0.000 0.217 104 K C 0.057 176.592 176.600 -0.109 0.000 1.030 104 K CA 1.044 57.290 56.287 -0.068 0.000 0.971 104 K CB -0.335 32.123 32.500 -0.069 0.000 0.775 104 K HN 0.747 nan 8.250 nan 0.000 0.446 105 S N 1.121 116.676 115.700 -0.240 0.000 2.442 105 S HA 0.443 4.913 4.470 -0.000 0.000 0.297 105 S C -0.353 173.968 174.600 -0.466 0.000 1.131 105 S CA -0.987 57.020 58.200 -0.321 0.000 1.092 105 S CB 1.748 64.744 63.200 -0.340 0.000 0.998 105 S HN 0.029 nan 8.310 nan 0.000 0.478 106 V N 3.183 123.044 119.914 -0.088 0.000 2.448 106 V HA 0.576 4.696 4.120 -0.000 0.000 0.295 106 V C 0.016 176.239 176.094 0.216 0.000 1.025 106 V CA -0.395 61.921 62.300 0.026 0.000 0.859 106 V CB 1.899 33.669 31.823 -0.089 0.000 0.988 106 V HN 1.037 nan 8.190 nan 0.000 0.431 107 T N 4.106 118.821 114.554 0.269 0.000 2.856 107 T HA 0.643 4.993 4.350 -0.000 0.000 0.283 107 T C -0.442 174.319 174.700 0.102 0.000 1.008 107 T CA -0.376 61.842 62.100 0.198 0.000 0.997 107 T CB 1.783 70.727 68.868 0.126 0.000 0.992 107 T HN 0.734 nan 8.240 nan 0.000 0.454 108 V N 2.190 122.168 119.914 0.107 0.000 2.881 108 V HA 0.836 4.956 4.120 -0.000 0.000 0.316 108 V C -1.251 174.940 176.094 0.161 0.000 1.070 108 V CA -0.902 61.483 62.300 0.141 0.000 0.976 108 V CB 1.584 33.429 31.823 0.036 0.000 1.038 108 V HN 0.787 nan 8.190 nan 0.000 0.446 109 L N 2.316 123.646 121.223 0.178 0.000 2.476 109 L HA 0.492 4.832 4.340 -0.000 0.000 0.269 109 L C -1.001 175.945 176.870 0.126 0.000 0.965 109 L CA -0.438 54.474 54.840 0.120 0.000 0.845 109 L CB 2.042 44.143 42.059 0.068 0.000 1.259 109 L HN 0.687 nan 8.230 nan 0.000 0.403 110 D N 3.264 123.736 120.400 0.119 0.000 2.470 110 D HA 0.123 4.763 4.640 -0.000 0.000 0.226 110 D C -0.038 176.319 176.300 0.096 0.000 1.196 110 D CA 0.028 54.096 54.000 0.112 0.000 0.979 110 D CB 1.135 41.995 40.800 0.100 0.000 1.059 110 D HN 0.071 nan 8.370 nan 0.000 0.515 111 V N 2.252 122.231 119.914 0.109 0.000 2.540 111 V HA 0.149 4.268 4.120 -0.000 0.000 0.297 111 V C 1.405 177.552 176.094 0.089 0.000 1.024 111 V CA -0.232 62.140 62.300 0.120 0.000 1.105 111 V CB 0.910 32.855 31.823 0.203 0.000 0.938 111 V HN 0.408 nan 8.190 nan 0.000 0.482 112 G N 2.545 111.396 108.800 0.086 0.000 2.420 112 G HA2 0.433 4.393 3.960 -0.000 0.000 0.284 112 G HA3 0.433 4.393 3.960 -0.000 0.000 0.284 112 G C 0.127 175.076 174.900 0.082 0.000 1.177 112 G CA -0.354 44.788 45.100 0.071 0.000 0.841 112 G HN 0.868 nan 8.290 nan 0.000 0.527 113 D N 0.072 120.517 120.400 0.075 0.000 2.860 113 D HA -0.308 4.332 4.640 -0.000 0.000 0.229 113 D C 1.848 178.200 176.300 0.088 0.000 1.169 113 D CA 1.122 55.205 54.000 0.137 0.000 0.737 113 D CB -1.224 39.718 40.800 0.236 0.000 1.080 113 D HN 0.773 nan 8.370 nan 0.000 0.424 114 A N 0.079 122.874 122.820 -0.041 0.000 2.223 114 A HA -0.373 3.947 4.320 -0.000 0.000 0.247 114 A C 1.793 179.344 177.584 -0.055 0.000 2.041 114 A CA 2.499 54.414 52.037 -0.203 0.000 0.965 114 A CB -1.597 16.902 19.000 -0.835 0.000 0.749 114 A HN 0.512 nan 8.150 nan 0.000 0.510 115 Y N -1.458 118.520 120.300 -0.536 0.000 2.096 115 Y HA -0.351 4.199 4.550 -0.000 0.000 0.276 115 Y C 2.387 178.192 175.900 -0.157 0.000 1.209 115 Y CA 1.595 59.485 58.100 -0.350 0.000 1.137 115 Y CB -0.643 37.506 38.460 -0.518 0.000 0.956 115 Y HN 0.417 nan 8.280 nan 0.000 0.506 116 F N -0.421 119.637 119.950 0.180 0.000 2.234 116 F HA -0.227 4.300 4.527 -0.000 0.000 0.299 116 F C 2.390 178.276 175.800 0.143 0.000 1.087 116 F CA 0.989 59.081 58.000 0.155 0.000 1.340 116 F CB -0.287 38.783 39.000 0.117 0.000 1.031 116 F HN -0.045 nan 8.300 nan 0.000 0.500 117 S N -0.552 115.338 115.700 0.316 0.000 2.423 117 S HA -0.046 4.424 4.470 -0.000 0.000 0.231 117 S C 0.744 175.481 174.600 0.227 0.000 1.014 117 S CA 0.326 58.675 58.200 0.248 0.000 0.965 117 S CB -0.334 63.009 63.200 0.238 0.000 0.785 117 S HN -0.048 nan 8.310 nan 0.000 0.495 118 V N 4.920 124.976 119.914 0.237 0.000 2.465 118 V HA 0.273 4.392 4.120 -0.000 0.000 0.279 118 V C -1.740 174.455 176.094 0.169 0.000 1.045 118 V CA -2.226 60.188 62.300 0.190 0.000 0.938 118 V CB 1.167 33.102 31.823 0.186 0.000 0.986 118 V HN 0.159 nan 8.190 nan 0.000 0.467 119 P HA 0.157 nan 4.420 nan 0.000 0.280 119 P C -1.002 176.369 177.300 0.119 0.000 1.278 119 P CA -0.238 62.941 63.100 0.133 0.000 0.787 119 P CB 0.997 32.766 31.700 0.115 0.000 1.163 120 L N -0.226 121.062 121.223 0.109 0.000 2.431 120 L HA 0.408 4.748 4.340 -0.000 0.000 0.266 120 L C -0.845 176.089 176.870 0.107 0.000 0.978 120 L CA -0.828 54.065 54.840 0.087 0.000 0.822 120 L CB 1.249 43.333 42.059 0.042 0.000 1.310 120 L HN 0.210 nan 8.230 nan 0.000 0.409 121 D N 2.607 123.079 120.400 0.121 0.000 2.854 121 D HA -0.124 4.516 4.640 -0.000 0.000 0.243 121 D C 1.255 177.658 176.300 0.172 0.000 1.243 121 D CA 0.994 55.082 54.000 0.147 0.000 0.883 121 D CB 0.716 41.609 40.800 0.156 0.000 1.145 121 D HN 0.708 nan 8.370 nan 0.000 0.555 122 E N 2.699 122.978 120.200 0.131 0.000 2.149 122 E HA -0.289 4.061 4.350 -0.000 0.000 0.215 122 E C 0.554 177.235 176.600 0.133 0.000 1.055 122 E CA 2.115 58.584 56.400 0.116 0.000 0.870 122 E CB 0.038 29.794 29.700 0.094 0.000 0.764 122 E HN 0.552 nan 8.360 nan 0.000 0.463 123 D N -1.721 118.779 120.400 0.166 0.000 2.370 123 D HA 0.064 4.704 4.640 -0.000 0.000 0.230 123 D C -0.074 176.417 176.300 0.318 0.000 1.143 123 D CA 0.105 54.218 54.000 0.188 0.000 0.834 123 D CB 0.025 40.927 40.800 0.169 0.000 0.944 123 D HN 0.215 nan 8.370 nan 0.000 0.504 124 F N -0.306 119.735 119.950 0.152 0.000 2.798 124 F HA 0.249 4.776 4.527 -0.000 0.000 0.328 124 F C 1.619 177.530 175.800 0.186 0.000 1.098 124 F CA -0.202 57.951 58.000 0.255 0.000 1.172 124 F CB 0.444 39.511 39.000 0.111 0.000 1.072 124 F HN -0.243 nan 8.300 nan 0.000 0.555 125 R N 1.004 121.559 120.500 0.092 0.000 2.081 125 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 125 R C 1.971 178.215 176.300 -0.093 0.000 1.131 125 R CA 1.940 58.047 56.100 0.012 0.000 0.960 125 R CB -0.342 29.997 30.300 0.064 0.000 0.856 125 R HN 0.284 nan 8.270 nan 0.000 0.436 126 K N 0.474 120.745 120.400 -0.214 0.000 2.049 126 K HA -0.251 4.069 4.320 -0.000 0.000 0.219 126 K C 1.889 178.245 176.600 -0.407 0.000 1.056 126 K CA 2.226 58.314 56.287 -0.333 0.000 0.946 126 K CB -0.842 31.312 32.500 -0.577 0.000 0.723 126 K HN 0.309 nan 8.250 nan 0.000 0.453 127 Y N 1.951 121.982 120.300 -0.448 0.000 2.736 127 Y HA -0.116 4.434 4.550 -0.000 0.000 0.298 127 Y C 2.153 177.920 175.900 -0.221 0.000 1.156 127 Y CA 1.106 58.883 58.100 -0.539 0.000 1.384 127 Y CB -0.949 37.002 38.460 -0.848 0.000 0.976 127 Y HN 0.277 nan 8.280 nan 0.000 0.556 128 T N -2.490 112.065 114.554 0.002 0.000 3.223 128 T HA 0.597 4.947 4.350 -0.000 0.000 0.259 128 T C 0.590 175.495 174.700 0.342 0.000 1.015 128 T CA -0.185 62.040 62.100 0.209 0.000 0.908 128 T CB -0.510 68.441 68.868 0.138 0.000 1.054 128 T HN 0.239 nan 8.240 nan 0.000 0.567 129 A N 1.830 124.822 122.820 0.287 0.000 2.388 129 A HA 0.663 4.983 4.320 -0.000 0.000 0.257 129 A C -0.090 177.793 177.584 0.499 0.000 1.095 129 A CA -0.625 51.651 52.037 0.398 0.000 0.791 129 A CB -0.058 19.103 19.000 0.268 0.000 1.029 129 A HN 0.706 nan 8.150 nan 0.000 0.489 130 F N -1.090 118.943 119.950 0.139 0.000 2.869 130 F HA 0.875 5.402 4.527 -0.000 0.000 0.325 130 F C -0.576 175.265 175.800 0.068 0.000 1.184 130 F CA -1.609 56.452 58.000 0.101 0.000 0.951 130 F CB 0.864 39.929 39.000 0.109 0.000 1.421 130 F HN 0.367 nan 8.300 nan 0.000 0.501 131 T N 2.605 117.127 114.554 -0.054 0.000 3.548 131 T HA 0.486 4.836 4.350 -0.000 0.000 0.329 131 T C -0.603 174.000 174.700 -0.162 0.000 0.960 131 T CA -0.490 61.470 62.100 -0.233 0.000 1.041 131 T CB 0.781 69.592 68.868 -0.095 0.000 1.065 131 T HN 0.782 nan 8.240 nan 0.000 0.459 132 I N 2.734 123.143 120.570 -0.268 0.000 2.556 132 I HA 0.319 4.489 4.170 -0.000 0.000 0.284 132 I C -1.779 174.281 176.117 -0.094 0.000 1.114 132 I CA -2.090 59.142 61.300 -0.113 0.000 1.418 132 I CB -0.016 37.921 38.000 -0.104 0.000 1.394 132 I HN 0.287 nan 8.210 nan 0.000 0.552 133 P HA 0.036 nan 4.420 nan 0.000 0.270 133 P C -0.104 177.169 177.300 -0.045 0.000 1.221 133 P CA -0.085 62.997 63.100 -0.030 0.000 0.788 133 P CB 0.445 32.141 31.700 -0.008 0.000 0.904 134 S N -0.168 115.508 115.700 -0.041 0.000 2.603 134 S HA 0.459 4.928 4.470 -0.000 0.000 0.268 134 S C 1.777 176.356 174.600 -0.034 0.000 1.317 134 S CA -0.134 58.040 58.200 -0.043 0.000 1.012 134 S CB -0.451 62.725 63.200 -0.041 0.000 0.926 134 S HN 0.468 nan 8.310 nan 0.000 0.539 135 I N 1.537 122.087 120.570 -0.033 0.000 2.076 135 I HA -0.037 4.133 4.170 -0.000 0.000 0.237 135 I C 1.016 177.117 176.117 -0.025 0.000 1.059 135 I CA 2.195 63.479 61.300 -0.026 0.000 1.317 135 I CB -1.521 36.464 38.000 -0.025 0.000 1.037 135 I HN 0.907 nan 8.210 nan 0.000 0.398 136 N N 0.704 119.388 118.700 -0.027 0.000 2.443 136 N HA 0.139 4.879 4.740 -0.000 0.000 0.295 136 N C -0.263 175.228 175.510 -0.031 0.000 1.076 136 N CA -0.499 52.535 53.050 -0.028 0.000 0.919 136 N CB -0.071 38.400 38.487 -0.026 0.000 1.176 136 N HN 0.584 nan 8.380 nan 0.000 0.487 137 N N -0.138 118.543 118.700 -0.033 0.000 2.735 137 N HA -0.143 4.597 4.740 -0.000 0.000 0.200 137 N C -0.514 174.974 175.510 -0.036 0.000 1.383 137 N CA 0.255 53.284 53.050 -0.036 0.000 0.939 137 N CB -0.063 38.399 38.487 -0.043 0.000 1.074 137 N HN 0.726 nan 8.380 nan 0.000 0.449 138 E N 0.442 120.621 120.200 -0.034 0.000 2.044 138 E HA 0.180 4.530 4.350 -0.000 0.000 0.282 138 E C -0.063 176.516 176.600 -0.036 0.000 1.031 138 E CA -0.619 55.761 56.400 -0.033 0.000 0.824 138 E CB 0.488 30.170 29.700 -0.030 0.000 1.076 138 E HN 0.018 nan 8.360 nan 0.000 0.395 139 T N 5.280 119.813 114.554 -0.036 0.000 2.669 139 T HA 0.027 4.377 4.350 -0.000 0.000 0.245 139 T C -0.703 173.969 174.700 -0.047 0.000 1.053 139 T CA -0.724 61.351 62.100 -0.041 0.000 1.387 139 T CB -0.337 68.510 68.868 -0.036 0.000 1.045 139 T HN 0.454 nan 8.240 nan 0.000 0.531 140 P HA 0.241 nan 4.420 nan 0.000 0.232 140 P C 0.750 178.001 177.300 -0.081 0.000 1.170 140 P CA 0.662 63.726 63.100 -0.061 0.000 0.824 140 P CB -0.084 31.581 31.700 -0.058 0.000 0.896 141 G N 1.691 110.436 108.800 -0.092 0.000 3.295 141 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.627 141 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.627 141 G C -0.364 174.422 174.900 -0.189 0.000 0.847 141 G CA -0.387 44.638 45.100 -0.126 0.000 0.907 141 G HN 0.333 nan 8.290 nan 0.000 0.502 142 I N 2.932 123.341 120.570 -0.269 0.000 2.307 142 I HA 0.325 4.495 4.170 -0.000 0.000 0.287 142 I C 0.710 176.438 176.117 -0.648 0.000 1.054 142 I CA -0.797 60.236 61.300 -0.443 0.000 1.218 142 I CB 1.068 38.793 38.000 -0.459 0.000 1.398 142 I HN 0.315 nan 8.210 nan 0.000 0.475 143 R N 5.638 125.809 120.500 -0.548 0.000 2.308 143 R HA 0.578 4.917 4.340 -0.000 0.000 0.305 143 R C -1.461 174.569 176.300 -0.451 0.000 1.053 143 R CA -0.155 55.675 56.100 -0.449 0.000 0.957 143 R CB 0.504 30.686 30.300 -0.197 0.000 1.022 143 R HN 0.408 nan 8.270 nan 0.000 0.461 144 Y N 0.902 121.043 120.300 -0.264 0.000 2.644 144 Y HA 0.376 4.926 4.550 -0.000 0.000 0.338 144 Y C -0.317 175.779 175.900 0.326 0.000 1.119 144 Y CA -1.215 56.860 58.100 -0.043 0.000 1.060 144 Y CB 2.393 40.785 38.460 -0.114 0.000 1.294 144 Y HN 0.477 nan 8.280 nan 0.000 0.472 145 Q N 0.147 120.247 119.800 0.499 0.000 2.435 145 Q HA 0.431 4.771 4.340 -0.000 0.000 0.282 145 Q C -2.313 173.826 176.000 0.231 0.000 1.020 145 Q CA -1.014 55.025 55.803 0.393 0.000 0.820 145 Q CB 1.962 30.847 28.738 0.244 0.000 1.436 145 Q HN 0.684 nan 8.270 nan 0.000 0.395 146 Y N 1.491 121.869 120.300 0.131 0.000 2.346 146 Y HA 0.233 4.783 4.550 -0.000 0.000 0.330 146 Y C 0.750 176.684 175.900 0.057 0.000 1.178 146 Y CA 0.250 58.396 58.100 0.078 0.000 1.331 146 Y CB 0.968 39.451 38.460 0.038 0.000 1.253 146 Y HN 0.686 nan 8.280 nan 0.000 0.529 147 N N 1.887 120.723 118.700 0.226 0.000 2.291 147 N HA 0.166 4.906 4.740 -0.000 0.000 0.244 147 N C -0.903 174.718 175.510 0.185 0.000 1.216 147 N CA 0.276 53.420 53.050 0.157 0.000 0.879 147 N CB 1.018 39.566 38.487 0.102 0.000 1.167 147 N HN 0.390 nan 8.380 nan 0.000 0.515 148 V N -3.438 116.636 119.914 0.267 0.000 3.112 148 V HA 0.497 4.617 4.120 -0.000 0.000 0.310 148 V C -0.635 175.564 176.094 0.174 0.000 1.364 148 V CA -1.075 61.381 62.300 0.259 0.000 1.058 148 V CB 1.772 33.825 31.823 0.383 0.000 1.079 148 V HN -0.158 nan 8.190 nan 0.000 0.463 149 L N 3.577 124.875 121.223 0.126 0.000 2.536 149 L HA 0.325 4.665 4.340 -0.000 0.000 0.282 149 L C -2.050 174.745 176.870 -0.124 0.000 1.147 149 L CA -1.210 53.641 54.840 0.019 0.000 0.936 149 L CB 0.346 42.422 42.059 0.029 0.000 1.279 149 L HN 0.546 nan 8.230 nan 0.000 0.461 150 P HA -0.122 nan 4.420 nan 0.000 0.260 150 P C 0.464 177.511 177.300 -0.423 0.000 1.185 150 P CA 0.053 62.652 63.100 -0.835 0.000 0.763 150 P CB 0.882 31.796 31.700 -1.309 0.000 0.776 151 Q N 4.368 123.956 119.800 -0.354 0.000 2.362 151 Q HA -0.207 4.132 4.340 -0.000 0.000 0.216 151 Q C 1.596 177.507 176.000 -0.148 0.000 1.002 151 Q CA 2.672 58.298 55.803 -0.296 0.000 0.937 151 Q CB -0.883 27.812 28.738 -0.071 0.000 0.937 151 Q HN 0.736 nan 8.270 nan 0.000 0.424 152 G N -2.704 106.091 108.800 -0.008 0.000 3.651 152 G HA2 0.060 4.020 3.960 -0.000 0.000 0.267 152 G HA3 0.060 4.020 3.960 -0.000 0.000 0.267 152 G C -0.627 174.320 174.900 0.079 0.000 1.009 152 G CA -0.357 44.776 45.100 0.054 0.000 0.866 152 G HN 0.266 nan 8.290 nan 0.000 0.488 153 W N 1.996 123.101 121.300 -0.325 0.000 2.089 153 W HA 0.288 4.948 4.660 -0.000 0.000 0.355 153 W C 1.516 177.903 176.519 -0.220 0.000 1.305 153 W CA -0.218 56.890 57.345 -0.395 0.000 1.281 153 W CB 0.960 30.076 29.460 -0.572 0.000 1.183 153 W HN -0.002 nan 8.180 nan 0.000 0.604 154 K N 1.637 121.667 120.400 -0.617 0.000 1.973 154 K HA -0.046 4.274 4.320 -0.000 0.000 0.210 154 K C 1.772 177.689 176.600 -1.138 0.000 1.045 154 K CA 1.597 57.474 56.287 -0.684 0.000 0.937 154 K CB -0.956 31.251 32.500 -0.489 0.000 0.721 154 K HN 0.662 nan 8.250 nan 0.000 0.438 155 G N 0.394 107.856 108.800 -2.230 0.000 3.135 155 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.208 155 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.208 155 G C 0.891 174.788 174.900 -1.671 0.000 1.212 155 G CA 0.125 43.551 45.100 -2.791 0.000 0.928 155 G HN 0.232 nan 8.290 nan 0.000 0.500 156 S N 1.046 116.212 115.700 -0.891 0.000 2.327 156 S HA 0.025 4.495 4.470 -0.000 0.000 0.213 156 S C 0.168 174.393 174.600 -0.626 0.000 1.032 156 S CA 0.819 58.756 58.200 -0.440 0.000 0.960 156 S CB -0.292 62.877 63.200 -0.052 0.000 0.900 156 S HN 0.270 nan 8.310 nan 0.000 0.469 157 P HA -0.088 nan 4.420 nan 0.000 0.216 157 P C 1.237 178.341 177.300 -0.327 0.000 1.153 157 P CA 1.570 64.430 63.100 -0.401 0.000 0.858 157 P CB -0.182 31.426 31.700 -0.154 0.000 0.789 158 A N 0.321 122.898 122.820 -0.406 0.000 1.862 158 A HA -0.243 4.077 4.320 -0.000 0.000 0.214 158 A C 2.187 179.608 177.584 -0.271 0.000 1.228 158 A CA 2.280 54.114 52.037 -0.338 0.000 0.665 158 A CB -1.794 16.921 19.000 -0.475 0.000 0.845 158 A HN 0.119 nan 8.150 nan 0.000 0.459 159 I N -1.349 119.028 120.570 -0.321 0.000 2.367 159 I HA -0.299 3.871 4.170 -0.000 0.000 0.256 159 I C 2.315 178.327 176.117 -0.174 0.000 1.132 159 I CA 1.792 62.980 61.300 -0.187 0.000 1.397 159 I CB -0.504 37.416 38.000 -0.134 0.000 1.074 159 I HN 0.515 nan 8.210 nan 0.000 0.435 160 F N 2.019 121.747 119.950 -0.370 0.000 2.039 160 F HA -0.276 4.250 4.527 -0.000 0.000 0.294 160 F C 2.793 178.458 175.800 -0.226 0.000 1.130 160 F CA 2.195 59.985 58.000 -0.351 0.000 1.189 160 F CB -0.835 37.817 39.000 -0.579 0.000 0.983 160 F HN 0.081 nan 8.300 nan 0.000 0.471 161 Q N -0.037 119.520 119.800 -0.405 0.000 2.181 161 Q HA -0.239 4.101 4.340 -0.000 0.000 0.205 161 Q C 2.312 178.110 176.000 -0.337 0.000 0.980 161 Q CA 2.176 57.736 55.803 -0.405 0.000 0.862 161 Q CB -0.572 28.051 28.738 -0.191 0.000 0.905 161 Q HN 0.513 nan 8.270 nan 0.000 0.429 162 S N -0.190 115.362 115.700 -0.247 0.000 2.359 162 S HA -0.164 4.306 4.470 -0.000 0.000 0.224 162 S C 1.995 176.458 174.600 -0.227 0.000 1.035 162 S CA 1.802 59.898 58.200 -0.173 0.000 1.018 162 S CB -0.378 62.758 63.200 -0.107 0.000 0.876 162 S HN 0.585 nan 8.310 nan 0.000 0.448 163 S N 1.210 116.736 115.700 -0.290 0.000 2.383 163 S HA -0.026 4.444 4.470 -0.000 0.000 0.227 163 S C 1.812 176.173 174.600 -0.398 0.000 1.026 163 S CA 1.389 59.410 58.200 -0.298 0.000 0.981 163 S CB -0.494 62.562 63.200 -0.238 0.000 0.818 163 S HN 0.554 nan 8.310 nan 0.000 0.472 164 M N 2.565 121.820 119.600 -0.574 0.000 2.065 164 M HA -0.115 4.365 4.480 -0.000 0.000 0.259 164 M C 1.946 178.043 176.300 -0.339 0.000 1.069 164 M CA 1.770 56.753 55.300 -0.528 0.000 1.110 164 M CB -1.717 30.486 32.600 -0.662 0.000 1.328 164 M HN 0.227 nan 8.290 nan 0.000 0.405 165 T N 1.139 115.524 114.554 -0.281 0.000 2.555 165 T HA -0.214 4.136 4.350 -0.000 0.000 0.264 165 T C 1.761 176.348 174.700 -0.187 0.000 1.083 165 T CA 2.129 64.114 62.100 -0.192 0.000 1.179 165 T CB -0.374 68.406 68.868 -0.147 0.000 0.863 165 T HN 0.424 nan 8.240 nan 0.000 0.412 166 K N 0.625 120.905 120.400 -0.200 0.000 2.049 166 K HA -0.184 4.136 4.320 -0.000 0.000 0.219 166 K C 2.264 178.698 176.600 -0.276 0.000 1.056 166 K CA 1.852 58.015 56.287 -0.206 0.000 0.946 166 K CB -0.719 31.651 32.500 -0.217 0.000 0.723 166 K HN 0.338 nan 8.250 nan 0.000 0.453 167 I N 1.063 121.384 120.570 -0.415 0.000 2.185 167 I HA -0.312 3.857 4.170 -0.000 0.000 0.246 167 I C 2.181 178.163 176.117 -0.224 0.000 1.088 167 I CA 1.451 62.394 61.300 -0.595 0.000 1.347 167 I CB -0.276 37.323 38.000 -0.669 0.000 1.041 167 I HN 0.171 nan 8.210 nan 0.000 0.415 168 L N -0.237 120.902 121.223 -0.139 0.000 2.418 168 L HA -0.083 4.256 4.340 -0.000 0.000 0.218 168 L C 2.270 179.169 176.870 0.050 0.000 1.125 168 L CA 0.433 55.272 54.840 -0.001 0.000 0.835 168 L CB -0.454 41.574 42.059 -0.053 0.000 0.953 168 L HN 0.188 nan 8.230 nan 0.000 0.454 169 E N 0.889 121.079 120.200 -0.017 0.000 2.033 169 E HA -0.224 4.126 4.350 -0.000 0.000 0.199 169 E C -0.486 176.124 176.600 0.017 0.000 1.011 169 E CA 2.060 58.455 56.400 -0.010 0.000 0.815 169 E CB -0.677 28.997 29.700 -0.043 0.000 0.755 169 E HN 0.320 nan 8.360 nan 0.000 0.451 170 P HA -0.217 nan 4.420 nan 0.000 0.214 170 P C 1.474 178.760 177.300 -0.023 0.000 1.163 170 P CA 1.396 64.499 63.100 0.006 0.000 0.889 170 P CB -0.303 31.421 31.700 0.041 0.000 0.790 171 F N 1.586 121.416 119.950 -0.200 0.000 2.069 171 F HA -0.157 4.370 4.527 -0.000 0.000 0.298 171 F C 2.346 178.092 175.800 -0.090 0.000 1.113 171 F CA 1.844 59.722 58.000 -0.202 0.000 1.214 171 F CB -0.567 38.305 39.000 -0.213 0.000 0.978 171 F HN -0.245 nan 8.300 nan 0.000 0.474 172 K N -0.034 120.497 120.400 0.218 0.000 2.442 172 K HA -0.196 4.124 4.320 -0.000 0.000 0.199 172 K C 1.960 178.547 176.600 -0.021 0.000 1.044 172 K CA 0.987 57.342 56.287 0.113 0.000 0.941 172 K CB -0.052 32.504 32.500 0.094 0.000 0.759 172 K HN 0.336 nan 8.250 nan 0.000 0.472 173 K N 0.183 120.548 120.400 -0.058 0.000 2.262 173 K HA 0.001 4.321 4.320 -0.000 0.000 0.200 173 K C 1.715 178.239 176.600 -0.127 0.000 1.058 173 K CA 0.259 56.502 56.287 -0.073 0.000 0.974 173 K CB 0.328 32.800 32.500 -0.047 0.000 0.910 173 K HN 0.054 nan 8.250 nan 0.000 0.484 174 Q N 0.631 120.318 119.800 -0.188 0.000 2.368 174 Q HA -0.084 4.256 4.340 -0.000 0.000 0.210 174 Q C -0.392 175.437 176.000 -0.284 0.000 0.982 174 Q CA 0.931 56.596 55.803 -0.229 0.000 0.884 174 Q CB 0.088 28.655 28.738 -0.286 0.000 0.933 174 Q HN 0.263 nan 8.270 nan 0.000 0.460 175 N N -0.731 117.766 118.700 -0.338 0.000 2.722 175 N HA 0.140 4.880 4.740 -0.000 0.000 0.242 175 N C -2.618 172.797 175.510 -0.157 0.000 1.398 175 N CA -0.935 51.943 53.050 -0.286 0.000 0.755 175 N CB 1.284 39.491 38.487 -0.468 0.000 1.268 175 N HN -0.102 nan 8.380 nan 0.000 0.522 176 P HA -0.157 nan 4.420 nan 0.000 0.222 176 P C 0.737 178.027 177.300 -0.016 0.000 1.142 176 P CA 1.191 64.265 63.100 -0.044 0.000 0.788 176 P CB 0.454 32.130 31.700 -0.039 0.000 0.767 177 D N 0.026 120.417 120.400 -0.016 0.000 2.083 177 D HA -0.091 4.549 4.640 -0.000 0.000 0.199 177 D C 0.895 177.219 176.300 0.041 0.000 0.980 177 D CA 0.644 54.651 54.000 0.011 0.000 0.851 177 D CB -0.812 39.996 40.800 0.012 0.000 0.997 177 D HN 0.022 nan 8.370 nan 0.000 0.449 178 I N 2.567 123.177 120.570 0.067 0.000 3.114 178 I HA -0.134 4.035 4.170 -0.000 0.000 0.320 178 I C 0.529 176.722 176.117 0.125 0.000 1.230 178 I CA 0.436 61.813 61.300 0.128 0.000 1.440 178 I CB -0.863 37.264 38.000 0.211 0.000 1.334 178 I HN -0.203 nan 8.210 nan 0.000 0.532 179 V N 8.229 128.219 119.914 0.126 0.000 2.837 179 V HA 0.518 4.638 4.120 -0.000 0.000 0.310 179 V C 0.398 176.587 176.094 0.159 0.000 1.059 179 V CA -0.643 61.731 62.300 0.123 0.000 1.004 179 V CB 2.215 34.126 31.823 0.148 0.000 1.045 179 V HN 0.484 nan 8.190 nan 0.000 0.465 180 I N 2.495 123.143 120.570 0.130 0.000 2.590 180 I HA 0.296 4.466 4.170 -0.000 0.000 0.283 180 I C -1.510 174.669 176.117 0.104 0.000 1.154 180 I CA -0.414 60.968 61.300 0.136 0.000 1.067 180 I CB 1.452 39.492 38.000 0.066 0.000 1.243 180 I HN 0.449 nan 8.210 nan 0.000 0.451 181 Y N 4.684 124.967 120.300 -0.029 0.000 2.319 181 Y HA 0.351 4.901 4.550 -0.000 0.000 0.328 181 Y C 0.556 176.355 175.900 -0.168 0.000 1.133 181 Y CA -0.419 57.654 58.100 -0.045 0.000 1.265 181 Y CB 1.054 39.533 38.460 0.031 0.000 1.218 181 Y HN 0.483 nan 8.280 nan 0.000 0.508 182 Q N 3.636 123.427 119.800 -0.015 0.000 2.340 182 Q HA 0.487 4.827 4.340 -0.000 0.000 0.268 182 Q C -2.130 173.876 176.000 0.010 0.000 1.031 182 Q CA -0.974 54.773 55.803 -0.094 0.000 0.804 182 Q CB 2.197 30.881 28.738 -0.090 0.000 1.286 182 Q HN 0.850 nan 8.270 nan 0.000 0.448 183 Y N 6.285 126.484 120.300 -0.168 0.000 2.315 183 Y HA 0.270 4.820 4.550 -0.000 0.000 0.324 183 Y C 0.131 176.064 175.900 0.056 0.000 1.062 183 Y CA -0.852 57.248 58.100 0.001 0.000 1.159 183 Y CB 0.997 39.539 38.460 0.137 0.000 1.145 183 Y HN 0.941 nan 8.280 nan 0.000 0.442 184 M N 1.621 121.414 119.600 0.323 0.000 7.319 184 M HA -0.387 4.093 4.480 -0.000 0.000 0.288 184 M C 0.114 176.619 176.300 0.342 0.000 0.480 184 M CA 2.153 57.647 55.300 0.323 0.000 1.311 184 M CB -1.477 31.347 32.600 0.373 0.000 0.421 184 M HN 0.690 nan 8.290 nan 0.000 0.495 185 D N 0.666 121.205 120.400 0.231 0.000 2.367 185 D HA 0.173 4.812 4.640 -0.000 0.000 0.207 185 D C -0.017 176.388 176.300 0.175 0.000 1.034 185 D CA 0.368 54.465 54.000 0.162 0.000 0.861 185 D CB 0.191 41.013 40.800 0.037 0.000 0.943 185 D HN 0.407 nan 8.370 nan 0.000 0.515 186 D N 0.518 121.007 120.400 0.149 0.000 2.348 186 D HA 0.437 5.077 4.640 -0.000 0.000 0.249 186 D C 0.152 176.329 176.300 -0.204 0.000 1.110 186 D CA -0.140 53.885 54.000 0.041 0.000 0.967 186 D CB 1.842 42.740 40.800 0.163 0.000 1.139 186 D HN -0.086 nan 8.370 nan 0.000 0.466 187 L N 1.405 122.482 121.223 -0.243 0.000 2.476 187 L HA 0.296 4.636 4.340 -0.000 0.000 0.269 187 L C -1.237 175.600 176.870 -0.054 0.000 0.965 187 L CA -0.745 53.947 54.840 -0.247 0.000 0.845 187 L CB 1.490 43.513 42.059 -0.059 0.000 1.259 187 L HN 0.332 nan 8.230 nan 0.000 0.403 188 Y N 3.164 123.458 120.300 -0.011 0.000 2.491 188 Y HA 0.454 5.004 4.550 -0.000 0.000 0.334 188 Y C 0.047 175.935 175.900 -0.020 0.000 0.969 188 Y CA -1.314 56.720 58.100 -0.110 0.000 1.241 188 Y CB 1.441 39.731 38.460 -0.283 0.000 1.105 188 Y HN 0.174 nan 8.280 nan 0.000 0.503 189 V N 3.248 123.252 119.914 0.150 0.000 2.407 189 V HA 0.623 4.742 4.120 -0.000 0.000 0.278 189 V C 0.464 176.658 176.094 0.167 0.000 1.037 189 V CA -0.568 61.828 62.300 0.160 0.000 0.900 189 V CB 1.198 33.115 31.823 0.158 0.000 0.983 189 V HN 0.908 nan 8.190 nan 0.000 0.459 190 G N 2.969 111.854 108.800 0.141 0.000 2.495 190 G HA2 0.739 4.699 3.960 -0.000 0.000 0.318 190 G HA3 0.739 4.699 3.960 -0.000 0.000 0.318 190 G C -0.612 174.317 174.900 0.047 0.000 1.257 190 G CA -0.228 44.902 45.100 0.051 0.000 0.962 190 G HN 0.994 nan 8.290 nan 0.000 0.483 191 S N 0.200 115.849 115.700 -0.085 0.000 2.570 191 S HA 0.580 5.050 4.470 -0.000 0.000 0.270 191 S C -1.787 172.742 174.600 -0.118 0.000 1.149 191 S CA -0.930 57.234 58.200 -0.059 0.000 0.837 191 S CB 2.578 65.806 63.200 0.047 0.000 1.124 191 S HN 0.309 nan 8.310 nan 0.000 0.465 192 D N 1.562 121.935 120.400 -0.046 0.000 2.514 192 D HA 0.638 5.278 4.640 -0.000 0.000 0.267 192 D C -0.410 175.880 176.300 -0.016 0.000 1.165 192 D CA 0.062 54.040 54.000 -0.038 0.000 0.958 192 D CB 0.389 41.181 40.800 -0.015 0.000 0.992 192 D HN 0.505 nan 8.370 nan 0.000 0.506 193 L N -0.160 121.049 121.223 -0.023 0.000 2.816 193 L HA 0.325 4.665 4.340 -0.000 0.000 0.262 193 L C -0.411 176.472 176.870 0.022 0.000 1.106 193 L CA -1.013 53.837 54.840 0.016 0.000 0.973 193 L CB 1.556 43.646 42.059 0.051 0.000 1.570 193 L HN -0.171 nan 8.230 nan 0.000 0.379 194 E N 0.547 120.777 120.200 0.049 0.000 2.266 194 E HA 0.235 4.585 4.350 -0.000 0.000 0.277 194 E C 0.702 177.361 176.600 0.098 0.000 1.018 194 E CA -0.431 56.003 56.400 0.056 0.000 0.840 194 E CB 1.192 30.919 29.700 0.045 0.000 1.082 194 E HN 0.346 nan 8.360 nan 0.000 0.395 195 I N 1.794 122.422 120.570 0.097 0.000 2.462 195 I HA -0.288 3.882 4.170 -0.000 0.000 0.259 195 I C 1.957 178.144 176.117 0.117 0.000 1.156 195 I CA 1.939 63.319 61.300 0.133 0.000 1.417 195 I CB -0.730 37.327 38.000 0.095 0.000 1.088 195 I HN 0.671 nan 8.210 nan 0.000 0.442 196 G N 0.218 109.069 108.800 0.086 0.000 2.424 196 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.214 196 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.214 196 G C 1.443 176.387 174.900 0.073 0.000 1.202 196 G CA 0.632 45.772 45.100 0.067 0.000 0.793 196 G HN 0.582 nan 8.290 nan 0.000 0.534 197 Q N -0.579 119.272 119.800 0.084 0.000 2.245 197 Q HA -0.022 4.318 4.340 -0.000 0.000 0.201 197 Q C 2.173 178.249 176.000 0.126 0.000 0.955 197 Q CA 1.307 57.162 55.803 0.085 0.000 0.870 197 Q CB -0.388 28.392 28.738 0.071 0.000 0.945 197 Q HN 0.605 nan 8.270 nan 0.000 0.461 198 H N 1.463 120.562 119.070 0.049 0.000 2.326 198 H HA 0.021 4.576 4.556 -0.000 0.000 0.301 198 H C 1.914 177.283 175.328 0.068 0.000 1.081 198 H CA 1.771 57.855 56.048 0.059 0.000 1.334 198 H CB 0.136 29.930 29.762 0.053 0.000 1.385 198 H HN 0.040 nan 8.280 nan 0.000 0.504 199 R N -0.554 119.937 120.500 -0.015 0.000 2.159 199 R HA -0.057 4.283 4.340 -0.000 0.000 0.237 199 R C 2.246 178.524 176.300 -0.038 0.000 1.131 199 R CA 1.724 57.779 56.100 -0.076 0.000 0.982 199 R CB -0.402 29.904 30.300 0.009 0.000 0.868 199 R HN 0.397 nan 8.270 nan 0.000 0.453 200 T N 0.201 114.762 114.554 0.011 0.000 2.942 200 T HA 0.008 4.357 4.350 -0.000 0.000 0.265 200 T C 1.486 176.218 174.700 0.054 0.000 1.062 200 T CA 0.639 62.759 62.100 0.034 0.000 1.139 200 T CB 0.066 68.962 68.868 0.045 0.000 0.883 200 T HN 0.024 nan 8.240 nan 0.000 0.468 201 K N 1.159 121.596 120.400 0.062 0.000 2.057 201 K HA 0.077 4.397 4.320 -0.000 0.000 0.206 201 K C 2.230 178.916 176.600 0.143 0.000 1.050 201 K CA 0.589 56.960 56.287 0.140 0.000 0.935 201 K CB -0.583 32.021 32.500 0.173 0.000 0.715 201 K HN 0.251 nan 8.250 nan 0.000 0.439 202 I N 1.815 122.381 120.570 -0.006 0.000 2.068 202 I HA -0.301 3.869 4.170 -0.000 0.000 0.238 202 I C 2.077 178.200 176.117 0.010 0.000 1.046 202 I CA 1.594 62.868 61.300 -0.044 0.000 1.306 202 I CB -1.186 36.738 38.000 -0.126 0.000 1.023 202 I HN 0.153 nan 8.210 nan 0.000 0.399 203 E N 0.812 121.025 120.200 0.021 0.000 2.136 203 E HA -0.236 4.114 4.350 -0.000 0.000 0.202 203 E C 2.110 178.764 176.600 0.090 0.000 1.019 203 E CA 1.348 57.775 56.400 0.046 0.000 0.819 203 E CB -0.318 29.408 29.700 0.044 0.000 0.739 203 E HN 0.508 nan 8.360 nan 0.000 0.458 204 E N -0.317 119.973 120.200 0.150 0.000 2.012 204 E HA -0.219 4.131 4.350 -0.000 0.000 0.197 204 E C 2.064 178.814 176.600 0.249 0.000 1.007 204 E CA 1.191 57.748 56.400 0.262 0.000 0.816 204 E CB -0.325 29.607 29.700 0.387 0.000 0.762 204 E HN 0.116 nan 8.360 nan 0.000 0.451 205 L N 1.671 122.938 121.223 0.073 0.000 1.956 205 L HA -0.259 4.080 4.340 -0.000 0.000 0.216 205 L C 2.459 179.245 176.870 -0.140 0.000 1.073 205 L CA 2.171 56.716 54.840 -0.492 0.000 0.762 205 L CB -0.757 40.914 42.059 -0.646 0.000 0.889 205 L HN -0.009 nan 8.230 nan 0.000 0.433 206 R N -1.216 119.246 120.500 -0.064 0.000 2.153 206 R HA -0.235 4.105 4.340 -0.000 0.000 0.252 206 R C 2.161 178.481 176.300 0.034 0.000 1.158 206 R CA 2.013 58.107 56.100 -0.009 0.000 0.975 206 R CB -0.180 30.124 30.300 0.006 0.000 0.871 206 R HN 0.550 nan 8.270 nan 0.000 0.450 207 Q N -1.246 118.596 119.800 0.070 0.000 2.354 207 Q HA -0.098 4.242 4.340 -0.000 0.000 0.203 207 Q C 1.768 177.851 176.000 0.140 0.000 0.933 207 Q CA 1.061 56.919 55.803 0.092 0.000 0.901 207 Q CB -0.100 28.696 28.738 0.097 0.000 1.007 207 Q HN 0.633 nan 8.270 nan 0.000 0.495 208 H N 0.397 119.520 119.070 0.089 0.000 2.357 208 H HA -0.001 4.554 4.556 -0.000 0.000 0.301 208 H C 1.939 177.419 175.328 0.253 0.000 1.082 208 H CA 0.864 57.017 56.048 0.175 0.000 1.342 208 H CB 0.274 30.137 29.762 0.168 0.000 1.389 208 H HN 0.140 nan 8.280 nan 0.000 0.511 209 L N 0.399 121.626 121.223 0.006 0.000 2.017 209 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 209 L C 2.710 179.639 176.870 0.099 0.000 1.073 209 L CA 0.644 55.488 54.840 0.007 0.000 0.745 209 L CB -0.395 41.660 42.059 -0.007 0.000 0.894 209 L HN 0.247 nan 8.230 nan 0.000 0.432 210 L N 0.039 121.301 121.223 0.065 0.000 2.349 210 L HA -0.160 4.180 4.340 -0.000 0.000 0.220 210 L C 2.334 179.209 176.870 0.007 0.000 1.130 210 L CA 1.528 56.399 54.840 0.050 0.000 0.791 210 L CB -0.639 41.443 42.059 0.038 0.000 0.918 210 L HN 0.123 nan 8.230 nan 0.000 0.444 211 R N -1.826 118.653 120.500 -0.035 0.000 2.313 211 R HA -0.046 4.294 4.340 -0.000 0.000 0.199 211 R C -0.394 175.607 176.300 -0.499 0.000 0.958 211 R CA 0.386 56.336 56.100 -0.251 0.000 1.047 211 R CB -0.129 29.996 30.300 -0.291 0.000 0.955 211 R HN 0.372 nan 8.270 nan 0.000 0.481 212 W N -0.122 121.123 121.300 -0.091 0.000 1.590 212 W HA 0.314 4.974 4.660 -0.000 0.000 0.299 212 W C 0.785 177.292 176.519 -0.021 0.000 0.872 212 W CA -0.688 56.617 57.345 -0.066 0.000 1.961 212 W CB 0.395 29.786 29.460 -0.115 0.000 2.140 212 W HN 0.067 nan 8.180 nan 0.000 0.433 213 G N 1.033 109.913 108.800 0.133 0.000 2.271 213 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.283 213 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.283 213 G C 0.201 175.188 174.900 0.144 0.000 1.002 213 G CA 0.532 45.707 45.100 0.125 0.000 0.701 213 G HN 0.411 nan 8.290 nan 0.000 0.528 214 L N 1.892 123.206 121.223 0.151 0.000 2.259 214 L HA 0.388 4.727 4.340 -0.000 0.000 0.288 214 L C 1.043 177.974 176.870 0.102 0.000 1.051 214 L CA -0.112 54.812 54.840 0.141 0.000 0.824 214 L CB 0.901 43.038 42.059 0.130 0.000 1.206 214 L HN 0.285 nan 8.230 nan 0.000 0.429 215 T N -0.212 114.401 114.554 0.098 0.000 2.882 215 T HA 0.614 4.963 4.350 -0.000 0.000 0.287 215 T C 0.198 174.941 174.700 0.072 0.000 0.992 215 T CA -0.574 61.571 62.100 0.075 0.000 1.076 215 T CB 1.642 70.552 68.868 0.070 0.000 0.961 215 T HN 0.589 nan 8.240 nan 0.000 0.490 216 T N 0.238 114.826 114.554 0.058 0.000 2.916 216 T HA 0.602 4.952 4.350 -0.000 0.000 0.292 216 T C -3.058 171.672 174.700 0.050 0.000 1.064 216 T CA -2.120 60.013 62.100 0.055 0.000 1.011 216 T CB 0.631 69.525 68.868 0.044 0.000 1.152 216 T HN 0.381 nan 8.240 nan 0.000 0.510 217 P HA 0.019 nan 4.420 nan 0.000 0.253 217 P C 0.598 177.923 177.300 0.041 0.000 1.159 217 P CA 0.331 63.462 63.100 0.051 0.000 0.779 217 P CB 0.291 32.027 31.700 0.060 0.000 0.745 218 D N 3.794 124.216 120.400 0.037 0.000 2.219 218 D HA -0.172 4.468 4.640 -0.000 0.000 0.205 218 D C 0.426 176.743 176.300 0.029 0.000 0.970 218 D CA 1.216 55.235 54.000 0.031 0.000 0.851 218 D CB -0.297 40.520 40.800 0.029 0.000 0.943 218 D HN 0.335 nan 8.370 nan 0.000 0.488 219 K N 0.756 121.174 120.400 0.030 0.000 2.878 219 K HA 0.136 4.456 4.320 -0.000 0.000 0.242 219 K C 0.318 176.935 176.600 0.029 0.000 0.985 219 K CA 0.556 56.860 56.287 0.027 0.000 1.168 219 K CB -0.777 31.739 32.500 0.027 0.000 0.993 219 K HN 0.317 nan 8.250 nan 0.000 0.476 220 K N -0.064 120.353 120.400 0.028 0.000 5.617 220 K HA -0.240 4.080 4.320 -0.000 0.000 0.401 220 K C 0.029 176.646 176.600 0.030 0.000 0.978 220 K CA 1.476 57.779 56.287 0.025 0.000 1.200 220 K CB -3.008 29.505 32.500 0.022 0.000 1.863 220 K HN 1.041 nan 8.250 nan 0.000 0.382 221 H N -3.070 116.021 119.070 0.035 0.000 2.680 221 H HA 0.317 4.873 4.556 -0.000 0.000 0.328 221 H C 1.180 176.549 175.328 0.069 0.000 1.139 221 H CA 1.836 57.914 56.048 0.050 0.000 1.124 221 H CB -2.561 27.220 29.762 0.032 0.000 1.584 221 H HN 2.655 nan 8.280 nan 0.000 0.410 222 Q N 1.388 121.229 119.800 0.068 0.000 2.364 222 Q HA 0.445 4.785 4.340 -0.000 0.000 0.263 222 Q C 0.664 176.721 176.000 0.096 0.000 1.276 222 Q CA 0.763 56.605 55.803 0.066 0.000 0.923 222 Q CB -0.830 27.942 28.738 0.057 0.000 1.477 222 Q HN 1.474 nan 8.270 nan 0.000 0.484 223 K N -0.179 120.276 120.400 0.092 0.000 2.206 223 K HA 0.571 4.891 4.320 -0.000 0.000 0.264 223 K C -0.559 175.982 176.600 -0.098 0.000 0.967 223 K CA -0.642 55.724 56.287 0.132 0.000 0.844 223 K CB 2.087 34.736 32.500 0.249 0.000 1.099 223 K HN 0.390 nan 8.250 nan 0.000 0.441 224 E N 2.458 122.455 120.200 -0.340 0.000 2.663 224 E HA 0.161 4.511 4.350 -0.000 0.000 0.240 224 E C -2.240 173.821 176.600 -0.898 0.000 1.227 224 E CA -2.064 54.052 56.400 -0.474 0.000 1.528 224 E CB 0.229 29.759 29.700 -0.282 0.000 1.472 224 E HN 0.518 nan 8.360 nan 0.000 0.433 225 P HA -0.040 nan 4.420 nan 0.000 0.260 225 P C -2.289 174.715 177.300 -0.493 0.000 1.185 225 P CA -0.433 62.185 63.100 -0.804 0.000 0.763 225 P CB 0.038 31.555 31.700 -0.306 0.000 0.776 226 P HA 0.276 nan 4.420 nan 0.000 0.279 226 P C -1.049 175.984 177.300 -0.444 0.000 1.252 226 P CA -0.426 62.367 63.100 -0.512 0.000 0.811 226 P CB 0.872 32.064 31.700 -0.846 0.000 1.035 227 F N 0.916 120.832 119.950 -0.056 0.000 2.410 227 F HA 0.252 4.779 4.527 -0.000 0.000 0.349 227 F C 0.817 176.689 175.800 0.120 0.000 1.117 227 F CA -1.266 56.738 58.000 0.007 0.000 1.104 227 F CB 0.906 39.871 39.000 -0.059 0.000 1.122 227 F HN 0.053 nan 8.300 nan 0.000 0.483 228 L N 5.320 126.696 121.223 0.255 0.000 2.433 228 L HA 0.178 4.518 4.340 -0.000 0.000 0.284 228 L C -1.289 175.770 176.870 0.315 0.000 1.120 228 L CA -0.421 54.566 54.840 0.244 0.000 0.879 228 L CB -0.484 41.659 42.059 0.140 0.000 1.232 228 L HN 0.677 nan 8.230 nan 0.000 0.454 229 W N 7.954 129.342 121.300 0.148 0.000 2.619 229 W HA 0.447 5.107 4.660 -0.000 0.000 0.327 229 W C -0.168 176.412 176.519 0.101 0.000 1.027 229 W CA -0.976 56.416 57.345 0.078 0.000 1.233 229 W CB 1.016 30.486 29.460 0.017 0.000 1.370 229 W HN 0.456 nan 8.180 nan 0.000 0.453 230 M N 5.738 124.975 119.600 -0.605 0.000 2.173 230 M HA -0.216 4.263 4.480 -0.000 0.000 0.197 230 M C 1.082 177.082 176.300 -0.500 0.000 0.296 230 M CA 1.876 56.748 55.300 -0.714 0.000 0.385 230 M CB -2.368 29.467 32.600 -1.275 0.000 1.141 230 M HN 1.355 nan 8.290 nan 0.000 0.938 231 G N -0.808 107.840 108.800 -0.254 0.000 2.147 231 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.244 231 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.244 231 G C -0.390 174.593 174.900 0.138 0.000 1.005 231 G CA 0.296 45.318 45.100 -0.131 0.000 0.713 231 G HN 0.656 nan 8.290 nan 0.000 0.515 232 Y N -0.654 119.873 120.300 0.379 0.000 2.425 232 Y HA 0.534 5.083 4.550 -0.000 0.000 0.344 232 Y C 0.304 176.454 175.900 0.417 0.000 0.969 232 Y CA -1.054 57.317 58.100 0.453 0.000 1.052 232 Y CB 1.765 40.527 38.460 0.504 0.000 1.215 232 Y HN 0.148 nan 8.280 nan 0.000 0.451 233 E N 4.605 125.165 120.200 0.600 0.000 2.046 233 E HA 0.313 4.663 4.350 -0.000 0.000 0.279 233 E C -1.546 175.396 176.600 0.571 0.000 0.989 233 E CA -0.321 56.370 56.400 0.485 0.000 0.798 233 E CB 0.421 30.377 29.700 0.425 0.000 1.086 233 E HN 0.612 nan 8.360 nan 0.000 0.399 234 L N 6.394 127.916 121.223 0.499 0.000 2.272 234 L HA 0.328 4.668 4.340 -0.000 0.000 0.284 234 L C 0.363 177.500 176.870 0.446 0.000 1.045 234 L CA -0.509 54.632 54.840 0.501 0.000 0.842 234 L CB 0.400 42.659 42.059 0.334 0.000 1.224 234 L HN 0.547 nan 8.230 nan 0.000 0.430 235 H N 4.147 123.436 119.070 0.365 0.000 2.523 235 H HA 0.270 4.826 4.556 -0.000 0.000 0.345 235 H C -1.618 173.933 175.328 0.372 0.000 1.261 235 H CA -1.784 54.437 56.048 0.287 0.000 1.343 235 H CB 1.553 31.430 29.762 0.192 0.000 1.650 235 H HN 0.340 nan 8.280 nan 0.000 0.591 236 P HA 0.037 nan 4.420 nan 0.000 0.257 236 P C -0.196 177.334 177.300 0.384 0.000 1.325 236 P CA 0.624 63.913 63.100 0.316 0.000 0.850 236 P CB 0.310 32.121 31.700 0.185 0.000 1.324 237 D N -0.894 119.770 120.400 0.439 0.000 2.619 237 D HA 0.048 4.688 4.640 -0.000 0.000 0.300 237 D C 0.016 176.370 176.300 0.089 0.000 1.502 237 D CA -0.052 54.127 54.000 0.299 0.000 0.865 237 D CB 0.184 41.093 40.800 0.181 0.000 1.343 237 D HN 0.274 nan 8.370 nan 0.000 0.447 238 K N -0.289 120.136 120.400 0.041 0.000 2.639 238 K HA 0.447 4.767 4.320 -0.000 0.000 0.279 238 K C -1.691 174.912 176.600 0.005 0.000 0.976 238 K CA -0.990 55.193 56.287 -0.173 0.000 0.861 238 K CB 1.480 33.913 32.500 -0.112 0.000 1.436 238 K HN 0.091 nan 8.250 nan 0.000 0.400 239 W N 0.956 122.132 121.300 -0.205 0.000 3.033 239 W HA 0.768 5.428 4.660 -0.000 0.000 0.336 239 W C -1.542 174.983 176.519 0.011 0.000 1.173 239 W CA -0.887 56.452 57.345 -0.010 0.000 1.185 239 W CB 1.430 30.857 29.460 -0.055 0.000 1.425 239 W HN 0.809 nan 8.180 nan 0.000 0.536 240 T N 0.615 115.330 114.554 0.268 0.000 2.663 240 T HA 0.353 4.703 4.350 -0.000 0.000 0.302 240 T C -1.320 173.657 174.700 0.461 0.000 1.523 240 T CA -0.558 61.615 62.100 0.121 0.000 1.011 240 T CB 1.610 70.470 68.868 -0.013 0.000 1.841 240 T HN 0.677 nan 8.240 nan 0.000 0.462 241 V N 1.668 121.805 119.914 0.372 0.000 2.488 241 V HA 0.374 4.494 4.120 -0.000 0.000 0.293 241 V C 0.241 176.528 176.094 0.322 0.000 1.027 241 V CA -0.243 62.313 62.300 0.427 0.000 0.862 241 V CB 1.344 33.479 31.823 0.519 0.000 1.008 241 V HN 0.855 nan 8.190 nan 0.000 0.428 242 Q N 5.322 125.282 119.800 0.267 0.000 1.946 242 Q HA 0.104 4.444 4.340 -0.000 0.000 0.199 242 Q C -1.133 174.959 176.000 0.153 0.000 0.979 242 Q CA 1.075 56.995 55.803 0.196 0.000 0.834 242 Q CB -0.844 27.995 28.738 0.168 0.000 0.899 242 Q HN 0.654 nan 8.270 nan 0.000 0.431 243 P HA -0.058 nan 4.420 nan 0.000 0.234 243 P C -0.754 176.597 177.300 0.084 0.000 1.457 243 P CA 0.841 63.991 63.100 0.083 0.000 0.891 243 P CB -0.610 31.124 31.700 0.057 0.000 1.734 244 I N 0.305 120.931 120.570 0.093 0.000 2.417 244 I HA 0.152 4.322 4.170 -0.000 0.000 0.283 244 I C -0.782 175.347 176.117 0.020 0.000 1.121 244 I CA -0.696 60.648 61.300 0.072 0.000 1.211 244 I CB 0.387 38.434 38.000 0.078 0.000 1.492 244 I HN -0.295 nan 8.210 nan 0.000 0.522 245 V N 7.486 127.414 119.914 0.024 0.000 2.350 245 V HA 0.296 4.416 4.120 -0.000 0.000 0.285 245 V C 0.080 176.189 176.094 0.026 0.000 1.014 245 V CA -0.713 61.597 62.300 0.017 0.000 0.831 245 V CB 1.299 33.133 31.823 0.019 0.000 1.000 245 V HN 0.494 nan 8.190 nan 0.000 0.433 246 L N 4.781 126.021 121.223 0.028 0.000 2.257 246 L HA 0.733 5.073 4.340 -0.000 0.000 0.290 246 L C -1.899 175.028 176.870 0.094 0.000 1.044 246 L CA -1.545 53.332 54.840 0.061 0.000 0.810 246 L CB 0.954 43.042 42.059 0.048 0.000 1.193 246 L HN 0.376 nan 8.230 nan 0.000 0.425 247 P HA 0.106 nan 4.420 nan 0.000 0.269 247 P C -1.164 176.267 177.300 0.217 0.000 1.209 247 P CA -0.019 63.145 63.100 0.108 0.000 0.776 247 P CB 0.816 32.541 31.700 0.043 0.000 0.876 248 E N 1.069 121.334 120.200 0.108 0.000 2.216 248 E HA 0.464 4.814 4.350 -0.000 0.000 0.260 248 E C -0.579 175.989 176.600 -0.054 0.000 0.880 248 E CA -1.007 55.493 56.400 0.167 0.000 0.765 248 E CB 2.185 31.979 29.700 0.156 0.000 1.174 248 E HN 0.123 nan 8.360 nan 0.000 0.417 249 K N 1.840 122.086 120.400 -0.258 0.000 3.430 249 K HA 0.289 4.609 4.320 -0.000 0.000 0.275 249 K C -0.540 175.943 176.600 -0.195 0.000 0.982 249 K CA 0.657 56.708 56.287 -0.394 0.000 1.580 249 K CB 0.505 32.515 32.500 -0.816 0.000 3.291 249 K HN 0.634 nan 8.250 nan 0.000 0.986 250 D N -1.455 118.776 120.400 -0.282 0.000 2.901 250 D HA 0.080 4.719 4.640 -0.000 0.000 0.392 250 D C -1.381 174.873 176.300 -0.077 0.000 1.336 250 D CA -0.190 53.777 54.000 -0.054 0.000 0.983 250 D CB -0.922 39.863 40.800 -0.026 0.000 1.715 250 D HN 0.236 nan 8.370 nan 0.000 0.357 251 S N -0.556 114.975 115.700 -0.280 0.000 2.680 251 S HA 0.592 5.062 4.470 -0.000 0.000 0.262 251 S C -1.432 172.976 174.600 -0.321 0.000 1.138 251 S CA -0.786 57.313 58.200 -0.168 0.000 1.072 251 S CB 0.001 63.117 63.200 -0.141 0.000 1.097 251 S HN 0.172 nan 8.310 nan 0.000 0.468 252 W N 2.083 123.380 121.300 -0.005 0.000 2.573 252 W HA 0.675 5.335 4.660 -0.000 0.000 0.326 252 W C 0.242 176.758 176.519 -0.005 0.000 1.049 252 W CA -0.385 56.957 57.345 -0.006 0.000 1.220 252 W CB 2.145 31.602 29.460 -0.005 0.000 1.373 252 W HN 0.725 nan 8.180 nan 0.000 0.507 253 T N -1.770 112.908 114.554 0.207 0.000 2.885 253 T HA 0.323 4.673 4.350 -0.000 0.000 0.285 253 T C 0.687 175.460 174.700 0.122 0.000 1.019 253 T CA -0.816 61.357 62.100 0.121 0.000 1.010 253 T CB 1.532 70.435 68.868 0.057 0.000 1.022 253 T HN 0.224 nan 8.240 nan 0.000 0.466 254 V N 1.903 121.865 119.914 0.080 0.000 2.280 254 V HA -0.317 3.803 4.120 -0.000 0.000 0.258 254 V C 2.911 179.042 176.094 0.063 0.000 1.081 254 V CA 2.582 64.918 62.300 0.060 0.000 1.070 254 V CB -0.979 30.866 31.823 0.038 0.000 0.666 254 V HN 1.052 nan 8.190 nan 0.000 0.450 255 N N 0.075 118.810 118.700 0.057 0.000 2.058 255 N HA -0.204 4.536 4.740 -0.000 0.000 0.191 255 N C 1.568 177.124 175.510 0.077 0.000 1.037 255 N CA 2.130 55.209 53.050 0.049 0.000 0.848 255 N CB -0.300 38.205 38.487 0.031 0.000 1.021 255 N HN 0.539 nan 8.380 nan 0.000 0.422 256 D N 1.116 121.585 120.400 0.115 0.000 2.133 256 D HA -0.145 4.495 4.640 -0.000 0.000 0.195 256 D C 2.154 178.600 176.300 0.244 0.000 0.997 256 D CA 0.813 54.925 54.000 0.187 0.000 0.840 256 D CB -0.321 40.626 40.800 0.245 0.000 0.947 256 D HN 0.440 nan 8.370 nan 0.000 0.452 257 I N 1.129 121.826 120.570 0.211 0.000 2.179 257 I HA -0.305 3.865 4.170 -0.000 0.000 0.242 257 I C 2.607 178.757 176.117 0.054 0.000 1.088 257 I CA 1.115 62.474 61.300 0.098 0.000 1.357 257 I CB -0.408 37.614 38.000 0.037 0.000 1.051 257 I HN 0.026 nan 8.210 nan 0.000 0.409 258 Q N 1.025 120.855 119.800 0.051 0.000 1.967 258 Q HA -0.311 4.029 4.340 -0.000 0.000 0.210 258 Q C 2.292 178.311 176.000 0.033 0.000 1.005 258 Q CA 1.933 57.755 55.803 0.031 0.000 0.862 258 Q CB -0.402 28.351 28.738 0.025 0.000 0.939 258 Q HN 0.435 nan 8.270 nan 0.000 0.417 259 K N 0.248 120.673 120.400 0.042 0.000 2.107 259 K HA -0.234 4.086 4.320 -0.000 0.000 0.211 259 K C 2.153 178.781 176.600 0.047 0.000 1.049 259 K CA 1.392 57.700 56.287 0.035 0.000 0.927 259 K CB -0.324 32.201 32.500 0.043 0.000 0.714 259 K HN 0.078 nan 8.250 nan 0.000 0.452 260 L N 0.739 122.007 121.223 0.076 0.000 1.955 260 L HA -0.210 4.130 4.340 -0.000 0.000 0.213 260 L C 2.078 178.964 176.870 0.027 0.000 1.072 260 L CA 1.602 56.481 54.840 0.065 0.000 0.755 260 L CB -0.593 41.496 42.059 0.050 0.000 0.888 260 L HN -0.053 nan 8.230 nan 0.000 0.432 261 V N 0.430 120.350 119.914 0.010 0.000 2.282 261 V HA -0.292 3.828 4.120 -0.000 0.000 0.249 261 V C 2.659 178.776 176.094 0.038 0.000 1.057 261 V CA 1.949 64.255 62.300 0.009 0.000 1.032 261 V CB -2.098 29.725 31.823 0.000 0.000 0.645 261 V HN 0.669 nan 8.190 nan 0.000 0.447 262 G N -0.500 108.322 108.800 0.037 0.000 2.529 262 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.219 262 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.219 262 G C 1.667 176.619 174.900 0.087 0.000 1.177 262 G CA 1.378 46.508 45.100 0.050 0.000 0.773 262 G HN 0.484 nan 8.290 nan 0.000 0.573 263 K N -0.325 120.114 120.400 0.065 0.000 2.032 263 K HA 0.035 4.355 4.320 -0.000 0.000 0.209 263 K C 2.623 179.311 176.600 0.147 0.000 1.048 263 K CA 1.002 57.349 56.287 0.100 0.000 0.927 263 K CB -0.319 32.215 32.500 0.057 0.000 0.712 263 K HN 0.296 nan 8.250 nan 0.000 0.441 264 L N 1.068 122.343 121.223 0.086 0.000 2.081 264 L HA -0.283 4.056 4.340 -0.000 0.000 0.212 264 L C 2.138 179.068 176.870 0.101 0.000 1.080 264 L CA 1.105 55.983 54.840 0.064 0.000 0.754 264 L CB -0.545 41.528 42.059 0.022 0.000 0.893 264 L HN 0.333 nan 8.230 nan 0.000 0.433 265 N N -0.480 118.298 118.700 0.129 0.000 2.051 265 N HA -0.262 4.478 4.740 -0.000 0.000 0.192 265 N C 1.580 177.220 175.510 0.217 0.000 1.049 265 N CA 1.524 54.664 53.050 0.150 0.000 0.845 265 N CB -0.597 37.978 38.487 0.147 0.000 1.031 265 N HN 0.485 nan 8.380 nan 0.000 0.425 266 W N 2.314 123.655 121.300 0.067 0.000 2.274 266 W HA -0.341 4.319 4.660 -0.000 0.000 0.314 266 W C 2.033 178.647 176.519 0.158 0.000 1.254 266 W CA 2.294 59.694 57.345 0.092 0.000 1.265 266 W CB -0.281 29.200 29.460 0.034 0.000 1.141 266 W HN 0.085 nan 8.180 nan 0.000 0.505 267 A N 0.043 122.976 122.820 0.188 0.000 1.940 267 A HA -0.278 4.042 4.320 -0.000 0.000 0.219 267 A C 2.035 179.716 177.584 0.163 0.000 1.176 267 A CA 2.424 54.545 52.037 0.140 0.000 0.631 267 A CB -1.470 17.564 19.000 0.056 0.000 0.814 267 A HN 0.366 nan 8.150 nan 0.000 0.446 268 S N -0.431 115.336 115.700 0.113 0.000 2.392 268 S HA -0.326 4.144 4.470 -0.000 0.000 0.232 268 S C 2.047 176.684 174.600 0.062 0.000 1.041 268 S CA 1.991 60.242 58.200 0.085 0.000 1.026 268 S CB -0.500 62.742 63.200 0.070 0.000 0.845 268 S HN 0.715 nan 8.310 nan 0.000 0.465 269 Q N -0.827 119.019 119.800 0.077 0.000 2.242 269 Q HA -0.164 4.176 4.340 -0.000 0.000 0.211 269 Q C 1.786 177.887 176.000 0.169 0.000 0.992 269 Q CA 1.838 57.743 55.803 0.170 0.000 0.889 269 Q CB -0.150 28.755 28.738 0.279 0.000 0.913 269 Q HN 0.675 nan 8.270 nan 0.000 0.422 270 I N -2.745 117.850 120.570 0.042 0.000 4.730 270 I HA 0.060 4.230 4.170 -0.000 0.000 0.332 270 I C -0.768 175.198 176.117 -0.251 0.000 1.299 270 I CA -0.161 61.030 61.300 -0.182 0.000 1.294 270 I CB 0.965 38.644 38.000 -0.534 0.000 1.317 270 I HN -0.103 nan 8.210 nan 0.000 0.457 271 Y N 3.817 124.071 120.300 -0.076 0.000 2.535 271 Y HA 0.437 4.987 4.550 -0.000 0.000 0.349 271 Y C -2.072 173.799 175.900 -0.048 0.000 0.992 271 Y CA -2.714 55.351 58.100 -0.057 0.000 1.248 271 Y CB -0.123 38.317 38.460 -0.033 0.000 1.124 271 Y HN 0.045 nan 8.280 nan 0.000 0.520 272 P HA 0.018 nan 4.420 nan 0.000 0.253 272 P C 0.852 178.177 177.300 0.042 0.000 1.170 272 P CA 1.475 64.584 63.100 0.015 0.000 0.806 272 P CB 0.186 31.881 31.700 -0.008 0.000 0.775 273 G N 3.607 112.426 108.800 0.031 0.000 2.380 273 G HA2 -0.182 3.777 3.960 -0.000 0.000 0.197 273 G HA3 -0.182 3.777 3.960 -0.000 0.000 0.197 273 G C 0.169 175.086 174.900 0.027 0.000 1.001 273 G CA -0.650 44.467 45.100 0.028 0.000 0.668 273 G HN 0.421 nan 8.290 nan 0.000 0.483 274 I N 2.595 123.189 120.570 0.040 0.000 3.015 274 I HA 0.048 4.217 4.170 -0.000 0.000 0.309 274 I C 0.803 176.932 176.117 0.020 0.000 1.229 274 I CA 1.093 62.408 61.300 0.025 0.000 1.430 274 I CB -0.217 37.805 38.000 0.036 0.000 1.347 274 I HN 0.235 nan 8.210 nan 0.000 0.544 275 K N 5.355 125.758 120.400 0.006 0.000 2.166 275 K HA 0.633 4.953 4.320 -0.000 0.000 0.245 275 K C 0.180 176.777 176.600 -0.005 0.000 0.967 275 K CA -0.713 55.576 56.287 0.003 0.000 0.863 275 K CB 2.575 35.069 32.500 -0.009 0.000 1.107 275 K HN 0.318 nan 8.250 nan 0.000 0.436 276 V N 0.832 120.744 119.914 -0.003 0.000 3.509 276 V HA 0.024 4.143 4.120 -0.000 0.000 0.286 276 V C 1.625 177.708 176.094 -0.019 0.000 1.618 276 V CA -0.198 62.094 62.300 -0.014 0.000 1.088 276 V CB 0.295 32.118 31.823 0.001 0.000 0.909 276 V HN 0.751 nan 8.190 nan 0.000 0.429 277 R N 0.909 121.401 120.500 -0.013 0.000 2.096 277 R HA -0.231 4.109 4.340 -0.000 0.000 0.240 277 R C 2.138 178.421 176.300 -0.027 0.000 1.139 277 R CA 2.147 58.238 56.100 -0.015 0.000 0.952 277 R CB 0.045 30.340 30.300 -0.008 0.000 0.854 277 R HN 0.429 nan 8.270 nan 0.000 0.436 278 Q N 0.300 120.078 119.800 -0.037 0.000 2.096 278 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 278 Q C 2.240 178.200 176.000 -0.066 0.000 0.982 278 Q CA 1.405 57.177 55.803 -0.050 0.000 0.850 278 Q CB -0.260 28.444 28.738 -0.057 0.000 0.901 278 Q HN 0.334 nan 8.270 nan 0.000 0.422 279 L N -0.010 121.166 121.223 -0.079 0.000 2.095 279 L HA -0.060 4.280 4.340 -0.000 0.000 0.204 279 L C 2.304 179.131 176.870 -0.071 0.000 1.080 279 L CA 1.320 56.099 54.840 -0.103 0.000 0.759 279 L CB -0.665 41.315 42.059 -0.131 0.000 0.914 279 L HN -0.009 nan 8.230 nan 0.000 0.439 280 S N -0.518 115.154 115.700 -0.047 0.000 2.406 280 S HA -0.150 4.320 4.470 -0.000 0.000 0.228 280 S C 1.821 176.405 174.600 -0.026 0.000 1.020 280 S CA 0.607 58.789 58.200 -0.030 0.000 0.965 280 S CB -0.324 62.864 63.200 -0.020 0.000 0.798 280 S HN 0.349 nan 8.310 nan 0.000 0.488 281 K N 1.197 121.580 120.400 -0.029 0.000 2.589 281 K HA 0.031 4.351 4.320 -0.000 0.000 0.195 281 K C 1.192 177.778 176.600 -0.023 0.000 1.040 281 K CA 0.496 56.769 56.287 -0.023 0.000 0.950 281 K CB -0.223 32.262 32.500 -0.024 0.000 0.781 281 K HN 0.382 nan 8.250 nan 0.000 0.486 282 L N 0.123 121.330 121.223 -0.028 0.000 2.349 282 L HA 0.112 4.452 4.340 -0.000 0.000 0.200 282 L C 0.594 177.457 176.870 -0.011 0.000 1.064 282 L CA -0.086 54.739 54.840 -0.024 0.000 0.821 282 L CB 0.054 42.090 42.059 -0.037 0.000 1.027 282 L HN 0.068 nan 8.230 nan 0.000 0.476 283 L N 2.266 123.483 121.223 -0.010 0.000 2.536 283 L HA 0.205 4.545 4.340 -0.000 0.000 0.282 283 L C -0.336 176.534 176.870 -0.001 0.000 1.174 283 L CA 0.394 55.233 54.840 -0.001 0.000 0.989 283 L CB -0.608 41.451 42.059 0.001 0.000 1.311 283 L HN 0.234 nan 8.230 nan 0.000 0.455 284 R N 1.307 121.807 120.500 0.000 0.000 2.626 284 R HA 0.414 4.754 4.340 -0.000 0.000 0.274 284 R C 0.869 177.171 176.300 0.003 0.000 1.031 284 R CA -0.243 55.857 56.100 0.001 0.000 0.898 284 R CB 1.988 32.287 30.300 -0.001 0.000 1.222 284 R HN 0.605 nan 8.270 nan 0.000 0.455 285 G N 1.064 109.866 108.800 0.003 0.000 2.391 285 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.261 285 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.261 285 G C 0.275 175.178 174.900 0.005 0.000 0.985 285 G CA 1.609 46.711 45.100 0.004 0.000 0.638 285 G HN 0.681 nan 8.290 nan 0.000 0.562 286 T N -3.203 111.355 114.554 0.006 0.000 2.770 286 T HA 0.756 5.106 4.350 -0.000 0.000 0.283 286 T C -0.349 174.356 174.700 0.008 0.000 0.988 286 T CA 0.622 62.726 62.100 0.008 0.000 0.957 286 T CB 1.909 70.782 68.868 0.009 0.000 0.930 286 T HN 1.188 nan 8.240 nan 0.000 0.443 287 K N 1.190 121.596 120.400 0.008 0.000 3.022 287 K HA 0.788 5.108 4.320 -0.000 0.000 0.178 287 K C 0.050 176.656 176.600 0.010 0.000 1.089 287 K CA -0.465 55.827 56.287 0.009 0.000 0.916 287 K CB 0.355 32.859 32.500 0.007 0.000 1.159 287 K HN 1.181 nan 8.250 nan 0.000 0.592 288 A N 1.489 124.317 122.820 0.012 0.000 2.654 288 A HA 0.632 4.952 4.320 -0.000 0.000 0.345 288 A C 1.960 179.554 177.584 0.016 0.000 1.368 288 A CA 0.202 52.247 52.037 0.013 0.000 0.895 288 A CB -0.822 18.186 19.000 0.013 0.000 1.143 288 A HN 1.654 nan 8.150 nan 0.000 0.490 289 L N 1.915 123.146 121.223 0.014 0.000 2.113 289 L HA -0.237 4.103 4.340 -0.000 0.000 0.237 289 L C 2.305 179.186 176.870 0.019 0.000 1.113 289 L CA 3.194 58.043 54.840 0.015 0.000 0.837 289 L CB -1.779 40.286 42.059 0.009 0.000 0.929 289 L HN 0.770 nan 8.230 nan 0.000 0.449 290 T N -0.842 113.721 114.554 0.015 0.000 3.243 290 T HA 0.250 4.600 4.350 -0.000 0.000 0.264 290 T C 0.511 175.222 174.700 0.018 0.000 1.000 290 T CA 0.134 62.243 62.100 0.015 0.000 0.901 290 T CB -0.605 68.266 68.868 0.006 0.000 1.083 290 T HN 0.743 nan 8.240 nan 0.000 0.559 291 E N 1.246 121.461 120.200 0.024 0.000 2.313 291 E HA 0.362 4.712 4.350 -0.000 0.000 0.276 291 E C -0.010 176.613 176.600 0.038 0.000 1.031 291 E CA -0.357 56.058 56.400 0.026 0.000 0.857 291 E CB 1.310 31.024 29.700 0.023 0.000 1.040 291 E HN 0.359 nan 8.360 nan 0.000 0.408 292 V N 3.780 123.716 119.914 0.035 0.000 2.458 292 V HA 0.280 4.400 4.120 -0.000 0.000 0.287 292 V C 0.510 176.641 176.094 0.061 0.000 1.009 292 V CA 0.992 63.322 62.300 0.049 0.000 1.091 292 V CB -0.095 31.750 31.823 0.036 0.000 0.960 292 V HN 0.593 nan 8.190 nan 0.000 0.476 293 I N 6.606 127.231 120.570 0.093 0.000 2.328 293 I HA 0.728 4.898 4.170 -0.000 0.000 0.287 293 I C -1.709 174.472 176.117 0.106 0.000 1.012 293 I CA -2.647 58.704 61.300 0.085 0.000 1.195 293 I CB 1.307 39.357 38.000 0.083 0.000 1.350 293 I HN 0.705 nan 8.210 nan 0.000 0.464 294 P HA 0.268 nan 4.420 nan 0.000 0.270 294 P C -0.363 176.963 177.300 0.044 0.000 1.242 294 P CA -0.171 62.972 63.100 0.072 0.000 0.768 294 P CB 1.423 33.149 31.700 0.044 0.000 0.820 295 L N 3.938 125.196 121.223 0.058 0.000 2.506 295 L HA 0.080 4.420 4.340 -0.000 0.000 0.281 295 L C 0.947 177.794 176.870 -0.038 0.000 1.228 295 L CA 1.338 56.145 54.840 -0.055 0.000 0.850 295 L CB -0.041 41.963 42.059 -0.091 0.000 1.110 295 L HN 0.395 nan 8.230 nan 0.000 0.496 296 T N 2.335 116.847 114.554 -0.070 0.000 2.912 296 T HA 0.212 4.562 4.350 -0.000 0.000 0.280 296 T C 0.928 175.599 174.700 -0.047 0.000 0.989 296 T CA -0.478 61.594 62.100 -0.046 0.000 0.995 296 T CB 1.314 70.153 68.868 -0.049 0.000 1.077 296 T HN 0.650 nan 8.240 nan 0.000 0.531 297 E N 0.940 121.121 120.200 -0.032 0.000 2.051 297 E HA -0.113 4.237 4.350 -0.000 0.000 0.192 297 E C 2.004 178.581 176.600 -0.038 0.000 0.991 297 E CA 1.334 57.718 56.400 -0.028 0.000 0.799 297 E CB -0.066 29.622 29.700 -0.020 0.000 0.748 297 E HN 0.509 nan 8.360 nan 0.000 0.449 298 E N 0.522 120.696 120.200 -0.042 0.000 2.072 298 E HA -0.036 4.313 4.350 -0.000 0.000 0.190 298 E C 1.935 178.496 176.600 -0.066 0.000 0.982 298 E CA 1.148 57.520 56.400 -0.047 0.000 0.803 298 E CB -0.550 29.125 29.700 -0.042 0.000 0.755 298 E HN 0.279 nan 8.360 nan 0.000 0.453 299 A N 1.374 124.144 122.820 -0.084 0.000 1.883 299 A HA -0.264 4.056 4.320 -0.000 0.000 0.217 299 A C 2.197 179.696 177.584 -0.141 0.000 1.186 299 A CA 1.768 53.728 52.037 -0.128 0.000 0.624 299 A CB -0.485 18.417 19.000 -0.163 0.000 0.822 299 A HN 0.127 nan 8.150 nan 0.000 0.444 300 E N -0.387 119.745 120.200 -0.112 0.000 2.077 300 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 300 E C 1.970 178.532 176.600 -0.063 0.000 0.989 300 E CA 1.485 57.833 56.400 -0.086 0.000 0.800 300 E CB -0.369 29.304 29.700 -0.044 0.000 0.746 300 E HN 0.474 nan 8.360 nan 0.000 0.452 301 L N 1.361 122.552 121.223 -0.052 0.000 2.072 301 L HA -0.068 4.272 4.340 -0.000 0.000 0.205 301 L C 2.257 179.099 176.870 -0.046 0.000 1.079 301 L CA 2.056 56.872 54.840 -0.040 0.000 0.752 301 L CB -0.688 41.352 42.059 -0.033 0.000 0.906 301 L HN 0.085 nan 8.230 nan 0.000 0.436 302 E N -0.721 119.445 120.200 -0.058 0.000 2.051 302 E HA -0.268 4.082 4.350 -0.000 0.000 0.192 302 E C 2.198 178.760 176.600 -0.065 0.000 0.991 302 E CA 1.470 57.836 56.400 -0.057 0.000 0.799 302 E CB -0.255 29.407 29.700 -0.063 0.000 0.748 302 E HN 0.431 nan 8.360 nan 0.000 0.449 303 L N 0.513 121.682 121.223 -0.091 0.000 2.127 303 L HA -0.119 4.221 4.340 -0.000 0.000 0.211 303 L C 2.088 178.923 176.870 -0.058 0.000 1.089 303 L CA 2.044 56.825 54.840 -0.098 0.000 0.757 303 L CB -0.487 41.478 42.059 -0.157 0.000 0.899 303 L HN 0.181 nan 8.230 nan 0.000 0.434 304 A N -0.969 121.824 122.820 -0.045 0.000 1.897 304 A HA -0.145 4.175 4.320 -0.000 0.000 0.215 304 A C 2.117 179.687 177.584 -0.023 0.000 1.181 304 A CA 1.326 53.348 52.037 -0.025 0.000 0.620 304 A CB -0.494 18.495 19.000 -0.019 0.000 0.821 304 A HN 0.563 nan 8.150 nan 0.000 0.443 305 E N 0.299 120.482 120.200 -0.027 0.000 2.085 305 E HA -0.191 4.159 4.350 -0.000 0.000 0.194 305 E C 1.627 178.214 176.600 -0.021 0.000 0.994 305 E CA 1.203 57.590 56.400 -0.021 0.000 0.801 305 E CB -0.240 29.446 29.700 -0.023 0.000 0.743 305 E HN 0.524 nan 8.360 nan 0.000 0.453 306 N N 0.892 119.574 118.700 -0.031 0.000 2.188 306 N HA -0.100 4.640 4.740 -0.000 0.000 0.184 306 N C 1.731 177.213 175.510 -0.047 0.000 1.018 306 N CA 0.824 53.852 53.050 -0.037 0.000 0.858 306 N CB -0.175 38.284 38.487 -0.047 0.000 0.989 306 N HN 0.153 nan 8.380 nan 0.000 0.426 307 R N 0.827 121.304 120.500 -0.038 0.000 2.080 307 R HA -0.134 4.206 4.340 -0.000 0.000 0.236 307 R C 1.986 178.270 176.300 -0.026 0.000 1.137 307 R CA 1.298 57.378 56.100 -0.033 0.000 0.943 307 R CB -0.256 30.035 30.300 -0.015 0.000 0.846 307 R HN 0.171 nan 8.270 nan 0.000 0.431 308 E N 0.782 120.974 120.200 -0.013 0.000 2.118 308 E HA -0.142 4.208 4.350 -0.000 0.000 0.195 308 E C 1.717 178.321 176.600 0.007 0.000 0.992 308 E CA 1.137 57.536 56.400 -0.002 0.000 0.804 308 E CB -0.062 29.638 29.700 0.001 0.000 0.741 308 E HN 0.279 nan 8.360 nan 0.000 0.458 309 I N -0.204 120.368 120.570 0.004 0.000 2.094 309 I HA -0.278 3.892 4.170 -0.000 0.000 0.234 309 I C 2.351 178.485 176.117 0.027 0.000 1.063 309 I CA 0.950 62.273 61.300 0.038 0.000 1.328 309 I CB -0.460 37.563 38.000 0.038 0.000 1.058 309 I HN 0.129 nan 8.210 nan 0.000 0.400 310 L N 0.783 121.941 121.223 -0.110 0.000 2.089 310 L HA -0.312 4.028 4.340 -0.000 0.000 0.213 310 L C 2.682 179.487 176.870 -0.108 0.000 1.079 310 L CA 1.561 56.226 54.840 -0.292 0.000 0.758 310 L CB -0.584 41.291 42.059 -0.307 0.000 0.891 310 L HN 0.315 nan 8.230 nan 0.000 0.433 311 K N 0.045 120.420 120.400 -0.041 0.000 2.049 311 K HA -0.224 4.096 4.320 -0.000 0.000 0.219 311 K C 0.858 177.476 176.600 0.030 0.000 1.056 311 K CA 1.485 57.769 56.287 -0.004 0.000 0.946 311 K CB -0.001 32.501 32.500 0.003 0.000 0.723 311 K HN 0.124 nan 8.250 nan 0.000 0.453 312 E N 0.667 120.904 120.200 0.062 0.000 2.343 312 E HA 0.192 4.542 4.350 -0.000 0.000 0.269 312 E C -2.399 174.309 176.600 0.180 0.000 1.047 312 E CA -2.147 54.304 56.400 0.086 0.000 0.874 312 E CB 1.299 31.039 29.700 0.066 0.000 1.033 312 E HN 0.128 nan 8.360 nan 0.000 0.409 313 P HA 0.236 nan 4.420 nan 0.000 0.290 313 P C -1.063 176.226 177.300 -0.018 0.000 1.276 313 P CA -0.374 62.796 63.100 0.116 0.000 0.808 313 P CB 1.022 32.740 31.700 0.029 0.000 0.966 314 V N 3.418 123.220 119.914 -0.187 0.000 2.623 314 V HA 0.310 4.430 4.120 -0.000 0.000 0.304 314 V C 0.040 175.923 176.094 -0.352 0.000 1.054 314 V CA -0.580 61.529 62.300 -0.318 0.000 0.882 314 V CB 1.317 32.809 31.823 -0.552 0.000 1.002 314 V HN 0.710 nan 8.190 nan 0.000 0.424 315 H N 2.134 120.939 119.070 -0.442 0.000 2.523 315 H HA 0.919 5.475 4.556 -0.000 0.000 0.345 315 H C 0.119 175.049 175.328 -0.664 0.000 1.261 315 H CA -0.581 55.158 56.048 -0.515 0.000 1.343 315 H CB 1.910 31.438 29.762 -0.390 0.000 1.650 315 H HN 0.759 nan 8.280 nan 0.000 0.591 316 G N -0.443 107.775 108.800 -0.970 0.000 2.533 316 G HA2 0.443 4.403 3.960 -0.000 0.000 0.304 316 G HA3 0.443 4.403 3.960 -0.000 0.000 0.304 316 G C -1.484 173.013 174.900 -0.673 0.000 1.263 316 G CA -0.664 43.749 45.100 -1.144 0.000 0.964 316 G HN 0.606 nan 8.290 nan 0.000 0.479 317 V N 0.406 120.157 119.914 -0.272 0.000 2.881 317 V HA 0.730 4.850 4.120 -0.000 0.000 0.316 317 V C -0.767 175.368 176.094 0.068 0.000 1.070 317 V CA -0.978 61.230 62.300 -0.152 0.000 0.976 317 V CB 1.416 33.187 31.823 -0.086 0.000 1.038 317 V HN 0.679 nan 8.190 nan 0.000 0.446 318 Y N 2.704 123.164 120.300 0.267 0.000 2.344 318 Y HA 0.348 4.898 4.550 -0.000 0.000 0.330 318 Y C -0.352 175.706 175.900 0.262 0.000 1.330 318 Y CA -0.137 58.120 58.100 0.261 0.000 1.479 318 Y CB 0.601 39.170 38.460 0.182 0.000 1.428 318 Y HN 0.674 nan 8.280 nan 0.000 0.544 319 Y N 1.597 122.110 120.300 0.356 0.000 2.336 319 Y HA 0.131 4.681 4.550 -0.000 0.000 0.335 319 Y C -0.468 175.517 175.900 0.141 0.000 1.046 319 Y CA -0.916 57.321 58.100 0.228 0.000 1.198 319 Y CB 0.501 39.150 38.460 0.315 0.000 1.182 319 Y HN 0.440 nan 8.280 nan 0.000 0.502 320 D N 8.977 129.084 120.400 -0.489 0.000 2.454 320 D HA 0.218 4.858 4.640 -0.000 0.000 0.225 320 D C -1.886 173.855 176.300 -0.933 0.000 1.081 320 D CA -2.182 51.537 54.000 -0.468 0.000 0.864 320 D CB 1.718 42.369 40.800 -0.248 0.000 1.040 320 D HN 0.402 nan 8.370 nan 0.000 0.517 321 P HA -0.107 nan 4.420 nan 0.000 0.226 321 P C 0.944 178.085 177.300 -0.266 0.000 1.146 321 P CA 0.561 63.342 63.100 -0.531 0.000 0.773 321 P CB 0.477 32.175 31.700 -0.004 0.000 0.772 322 S N -0.936 114.621 115.700 -0.238 0.000 2.406 322 S HA 0.006 4.476 4.470 -0.000 0.000 0.228 322 S C 1.546 176.069 174.600 -0.128 0.000 1.020 322 S CA 1.296 59.416 58.200 -0.135 0.000 0.965 322 S CB -0.670 62.469 63.200 -0.102 0.000 0.798 322 S HN 0.373 nan 8.310 nan 0.000 0.488 323 K N 2.016 122.310 120.400 -0.177 0.000 2.760 323 K HA 0.421 4.740 4.320 -0.000 0.000 0.285 323 K C -0.506 176.018 176.600 -0.126 0.000 1.016 323 K CA -0.329 55.879 56.287 -0.131 0.000 1.087 323 K CB -0.417 32.009 32.500 -0.124 0.000 1.427 323 K HN 0.137 nan 8.250 nan 0.000 0.524 324 D N 0.159 120.494 120.400 -0.108 0.000 2.252 324 D HA 0.359 4.999 4.640 -0.000 0.000 0.245 324 D C -0.610 175.591 176.300 -0.165 0.000 1.009 324 D CA -0.395 53.538 54.000 -0.111 0.000 0.870 324 D CB 1.564 42.310 40.800 -0.090 0.000 1.251 324 D HN 0.376 nan 8.370 nan 0.000 0.460 325 L N 1.912 123.008 121.223 -0.212 0.000 2.290 325 L HA 0.288 4.628 4.340 -0.000 0.000 0.284 325 L C -0.536 176.092 176.870 -0.404 0.000 1.078 325 L CA -0.435 54.189 54.840 -0.360 0.000 0.815 325 L CB 0.417 42.191 42.059 -0.475 0.000 1.162 325 L HN 0.179 nan 8.230 nan 0.000 0.435 326 I N 3.764 124.023 120.570 -0.519 0.000 2.474 326 I HA 0.671 4.841 4.170 -0.000 0.000 0.294 326 I C -0.065 175.534 176.117 -0.863 0.000 1.005 326 I CA -0.201 60.690 61.300 -0.682 0.000 1.113 326 I CB 1.967 39.472 38.000 -0.825 0.000 1.289 326 I HN 0.516 nan 8.210 nan 0.000 0.436 327 A N 4.535 126.877 122.820 -0.798 0.000 2.393 327 A HA 0.854 5.174 4.320 -0.000 0.000 0.306 327 A C -0.919 176.394 177.584 -0.452 0.000 1.050 327 A CA -0.506 51.139 52.037 -0.654 0.000 0.724 327 A CB 1.536 20.029 19.000 -0.844 0.000 1.248 327 A HN 0.735 nan 8.150 nan 0.000 0.424 328 E N 1.863 121.966 120.200 -0.162 0.000 2.317 328 E HA 0.709 5.059 4.350 -0.000 0.000 0.270 328 E C -1.641 175.057 176.600 0.164 0.000 0.885 328 E CA -0.570 55.845 56.400 0.024 0.000 0.760 328 E CB 1.608 31.360 29.700 0.087 0.000 1.227 328 E HN 0.611 nan 8.360 nan 0.000 0.434 329 I N 2.456 123.137 120.570 0.186 0.000 2.569 329 I HA 0.358 4.528 4.170 -0.000 0.000 0.296 329 I C -0.804 175.459 176.117 0.243 0.000 1.028 329 I CA -0.870 60.588 61.300 0.265 0.000 1.082 329 I CB 2.077 40.229 38.000 0.253 0.000 1.264 329 I HN 0.463 nan 8.210 nan 0.000 0.429 330 Q N 4.114 124.063 119.800 0.249 0.000 2.375 330 Q HA 0.413 4.753 4.340 -0.000 0.000 0.271 330 Q C -0.880 175.163 176.000 0.071 0.000 1.074 330 Q CA -0.892 54.992 55.803 0.135 0.000 0.808 330 Q CB 2.718 31.499 28.738 0.072 0.000 1.327 330 Q HN 0.322 nan 8.270 nan 0.000 0.441 331 K N 2.439 122.727 120.400 -0.185 0.000 2.253 331 K HA 0.206 4.526 4.320 -0.000 0.000 0.277 331 K C -0.192 176.148 176.600 -0.434 0.000 1.053 331 K CA 0.156 56.024 56.287 -0.698 0.000 0.892 331 K CB 0.821 32.585 32.500 -1.227 0.000 1.102 331 K HN 0.745 nan 8.250 nan 0.000 0.469 332 Q N 1.975 121.551 119.800 -0.372 0.000 1.896 332 Q HA 0.023 4.363 4.340 -0.000 0.000 0.205 332 Q C 1.018 176.884 176.000 -0.223 0.000 0.978 332 Q CA 1.737 57.415 55.803 -0.208 0.000 0.850 332 Q CB 0.073 28.742 28.738 -0.115 0.000 0.908 332 Q HN 0.961 nan 8.270 nan 0.000 0.431 333 G N -0.574 108.085 108.800 -0.235 0.000 4.371 333 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.160 333 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.160 333 G C -0.436 174.394 174.900 -0.118 0.000 1.271 333 G CA -0.169 44.825 45.100 -0.175 0.000 0.982 333 G HN 0.284 nan 8.290 nan 0.000 0.318 334 Q N 1.464 121.220 119.800 -0.073 0.000 2.336 334 Q HA 0.406 4.746 4.340 -0.000 0.000 0.231 334 Q C 1.183 177.185 176.000 0.003 0.000 0.900 334 Q CA 0.545 56.327 55.803 -0.034 0.000 0.966 334 Q CB -0.267 28.454 28.738 -0.028 0.000 1.219 334 Q HN 1.537 nan 8.270 nan 0.000 0.412 335 G N 0.529 109.338 108.800 0.014 0.000 2.132 335 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.228 335 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.228 335 G C -0.320 174.695 174.900 0.190 0.000 1.000 335 G CA -0.259 44.918 45.100 0.128 0.000 0.693 335 G HN 0.466 nan 8.290 nan 0.000 0.515 336 Q N -1.329 118.490 119.800 0.033 0.000 2.309 336 Q HA 0.683 5.023 4.340 -0.000 0.000 0.264 336 Q C -0.927 175.002 176.000 -0.118 0.000 1.008 336 Q CA -0.761 55.091 55.803 0.081 0.000 0.853 336 Q CB 1.428 30.179 28.738 0.021 0.000 1.314 336 Q HN 0.322 nan 8.270 nan 0.000 0.448 337 W N 0.296 121.689 121.300 0.155 0.000 3.138 337 W HA 0.514 5.174 4.660 -0.000 0.000 0.331 337 W C -0.273 176.360 176.519 0.191 0.000 1.166 337 W CA -0.492 56.952 57.345 0.165 0.000 1.212 337 W CB 1.955 31.530 29.460 0.192 0.000 1.399 337 W HN 0.406 nan 8.180 nan 0.000 0.514 338 T N 1.336 116.101 114.554 0.351 0.000 2.901 338 T HA 0.816 5.166 4.350 -0.000 0.000 0.293 338 T C -1.506 173.391 174.700 0.328 0.000 1.084 338 T CA -0.367 61.882 62.100 0.248 0.000 1.008 338 T CB 1.239 70.162 68.868 0.091 0.000 1.170 338 T HN 0.494 nan 8.240 nan 0.000 0.509 339 Y N -0.149 120.243 120.300 0.153 0.000 2.788 339 Y HA 0.745 5.295 4.550 -0.000 0.000 0.335 339 Y C -1.801 174.161 175.900 0.104 0.000 1.287 339 Y CA -1.237 56.939 58.100 0.125 0.000 1.068 339 Y CB 1.044 39.580 38.460 0.128 0.000 1.340 339 Y HN 0.673 nan 8.280 nan 0.000 0.449 340 Q N 1.441 121.421 119.800 0.300 0.000 2.386 340 Q HA 0.471 4.811 4.340 -0.000 0.000 0.274 340 Q C -2.282 173.843 176.000 0.208 0.000 1.011 340 Q CA -0.636 55.281 55.803 0.190 0.000 0.867 340 Q CB 2.745 31.549 28.738 0.110 0.000 1.409 340 Q HN 0.775 nan 8.270 nan 0.000 0.395 341 I N 3.349 124.033 120.570 0.189 0.000 2.392 341 I HA 0.559 4.729 4.170 -0.000 0.000 0.295 341 I C -0.489 175.642 176.117 0.022 0.000 0.985 341 I CA -0.322 60.970 61.300 -0.013 0.000 1.221 341 I CB 0.862 38.912 38.000 0.085 0.000 1.366 341 I HN 0.659 nan 8.210 nan 0.000 0.467 342 Y N 2.833 123.068 120.300 -0.108 0.000 2.829 342 Y HA 0.676 5.226 4.550 -0.000 0.000 0.322 342 Y C -0.168 175.648 175.900 -0.140 0.000 1.357 342 Y CA -0.955 57.085 58.100 -0.100 0.000 1.081 342 Y CB 1.057 39.465 38.460 -0.086 0.000 1.339 342 Y HN 0.498 nan 8.280 nan 0.000 0.469 343 Q N -0.961 118.980 119.800 0.235 0.000 1.977 343 Q HA 0.248 4.588 4.340 -0.000 0.000 0.214 343 Q C -1.114 174.940 176.000 0.092 0.000 0.740 343 Q CA 0.012 55.872 55.803 0.095 0.000 0.893 343 Q CB 1.662 30.387 28.738 -0.022 0.000 1.203 343 Q HN 0.686 nan 8.270 nan 0.000 0.436 344 E N 0.155 120.395 120.200 0.066 0.000 2.275 344 E HA 0.231 4.581 4.350 -0.000 0.000 0.270 344 E C -2.247 174.208 176.600 -0.243 0.000 0.882 344 E CA -1.955 54.420 56.400 -0.042 0.000 0.758 344 E CB 1.916 31.616 29.700 0.000 0.000 1.195 344 E HN -0.223 nan 8.360 nan 0.000 0.419 345 P HA -0.114 nan 4.420 nan 0.000 0.220 345 P C 0.220 177.085 177.300 -0.725 0.000 1.144 345 P CA 1.198 63.900 63.100 -0.663 0.000 0.800 345 P CB 0.181 31.541 31.700 -0.568 0.000 0.772 346 F N -1.345 118.475 119.950 -0.217 0.000 2.500 346 F HA 0.160 4.687 4.527 -0.000 0.000 0.285 346 F C 1.507 177.208 175.800 -0.165 0.000 1.088 346 F CA 0.111 58.014 58.000 -0.161 0.000 1.432 346 F CB -0.136 38.801 39.000 -0.105 0.000 1.131 346 F HN -0.344 nan 8.300 nan 0.000 0.582 347 K N 0.747 121.148 120.400 0.001 0.000 2.233 347 K HA 0.202 4.522 4.320 -0.000 0.000 0.239 347 K C -0.621 175.919 176.600 -0.100 0.000 1.064 347 K CA -0.121 56.114 56.287 -0.086 0.000 0.884 347 K CB 0.087 32.557 32.500 -0.050 0.000 1.166 347 K HN -0.085 nan 8.250 nan 0.000 0.512 348 N N -0.417 118.234 118.700 -0.081 0.000 2.635 348 N HA 0.145 4.885 4.740 -0.000 0.000 0.260 348 N C -0.275 175.281 175.510 0.077 0.000 1.078 348 N CA -0.270 52.788 53.050 0.014 0.000 1.012 348 N CB 1.094 39.544 38.487 -0.061 0.000 1.677 348 N HN 0.373 nan 8.380 nan 0.000 0.514 349 L N 1.023 122.373 121.223 0.212 0.000 2.209 349 L HA 0.295 4.635 4.340 -0.000 0.000 0.207 349 L C 0.766 177.960 176.870 0.540 0.000 1.094 349 L CA 0.871 55.939 54.840 0.380 0.000 0.790 349 L CB 0.094 42.399 42.059 0.410 0.000 0.932 349 L HN 0.541 nan 8.230 nan 0.000 0.447 350 K N -1.099 119.541 120.400 0.400 0.000 2.736 350 K HA 0.270 4.590 4.320 -0.000 0.000 0.290 350 K C -1.300 175.421 176.600 0.201 0.000 1.033 350 K CA -0.201 56.331 56.287 0.408 0.000 0.852 350 K CB 1.340 34.055 32.500 0.358 0.000 1.494 350 K HN -0.056 nan 8.250 nan 0.000 0.378 351 T N -1.357 113.249 114.554 0.086 0.000 2.716 351 T HA 0.947 5.297 4.350 -0.000 0.000 0.286 351 T C 0.027 174.524 174.700 -0.338 0.000 1.052 351 T CA -0.289 61.726 62.100 -0.142 0.000 1.024 351 T CB 1.809 70.604 68.868 -0.122 0.000 1.349 351 T HN 1.005 nan 8.240 nan 0.000 0.525 352 G N -0.000 108.368 108.800 -0.720 0.000 2.316 352 G HA2 0.522 4.482 3.960 -0.000 0.000 0.296 352 G HA3 0.522 4.482 3.960 -0.000 0.000 0.296 352 G C -1.921 172.679 174.900 -0.501 0.000 1.399 352 G CA -0.695 44.059 45.100 -0.578 0.000 0.833 352 G HN 0.967 nan 8.290 nan 0.000 0.565 353 K N -1.554 118.848 120.400 0.004 0.000 2.331 353 K HA 0.857 5.176 4.320 -0.000 0.000 0.238 353 K C -1.720 175.130 176.600 0.417 0.000 1.058 353 K CA -1.206 55.207 56.287 0.210 0.000 0.871 353 K CB 2.779 35.359 32.500 0.133 0.000 1.292 353 K HN 0.797 nan 8.250 nan 0.000 0.470 354 Y N -0.281 120.188 120.300 0.281 0.000 2.399 354 Y HA 0.518 5.068 4.550 -0.000 0.000 0.327 354 Y C -2.018 174.021 175.900 0.231 0.000 1.111 354 Y CA -0.490 57.748 58.100 0.229 0.000 1.047 354 Y CB 2.103 40.673 38.460 0.183 0.000 1.259 354 Y HN 0.926 nan 8.280 nan 0.000 0.434 355 A N 4.359 126.904 122.820 -0.458 0.000 2.350 355 A HA 0.909 5.229 4.320 -0.000 0.000 0.324 355 A C -0.094 177.283 177.584 -0.345 0.000 1.118 355 A CA -0.236 51.678 52.037 -0.205 0.000 0.783 355 A CB 0.661 19.597 19.000 -0.107 0.000 1.236 355 A HN 1.237 nan 8.150 nan 0.000 0.457 356 R N 2.270 122.783 120.500 0.021 0.000 2.873 356 R HA 0.385 4.725 4.340 -0.000 0.000 0.267 356 R C 0.676 176.974 176.300 -0.003 0.000 1.009 356 R CA 0.688 56.842 56.100 0.090 0.000 1.152 356 R CB -0.619 29.778 30.300 0.162 0.000 1.047 356 R HN 0.886 nan 8.270 nan 0.000 0.470 357 M N 1.658 121.285 119.600 0.044 0.000 2.252 357 M HA 0.132 4.612 4.480 -0.000 0.000 0.329 357 M C 0.125 176.432 176.300 0.013 0.000 1.101 357 M CA 0.585 55.901 55.300 0.026 0.000 1.117 357 M CB 0.224 32.860 32.600 0.060 0.000 1.563 357 M HN 0.599 nan 8.290 nan 0.000 0.445 358 R N 1.835 122.336 120.500 0.001 0.000 3.657 358 R HA 0.404 4.744 4.340 -0.000 0.000 0.220 358 R C 0.711 177.008 176.300 -0.006 0.000 1.548 358 R CA 0.173 56.271 56.100 -0.004 0.000 1.465 358 R CB -0.275 30.020 30.300 -0.009 0.000 1.330 358 R HN 1.136 nan 8.270 nan 0.000 0.707 359 G N -0.322 108.470 108.800 -0.013 0.000 3.578 359 G HA2 -0.028 3.932 3.960 -0.000 0.000 0.220 359 G HA3 -0.028 3.932 3.960 -0.000 0.000 0.220 359 G C -0.117 174.730 174.900 -0.088 0.000 0.933 359 G CA 0.041 45.120 45.100 -0.035 0.000 0.847 359 G HN 0.600 nan 8.290 nan 0.000 0.612 360 A N 0.634 123.405 122.820 -0.082 0.000 2.350 360 A HA 0.772 5.092 4.320 -0.000 0.000 0.318 360 A C -0.387 177.107 177.584 -0.151 0.000 1.132 360 A CA -0.703 51.230 52.037 -0.173 0.000 0.811 360 A CB 0.543 19.525 19.000 -0.030 0.000 1.313 360 A HN 0.337 nan 8.150 nan 0.000 0.454 361 H N 1.267 120.393 119.070 0.094 0.000 2.800 361 H HA 0.322 4.878 4.556 -0.000 0.000 0.291 361 H C 0.090 175.481 175.328 0.105 0.000 1.076 361 H CA 0.276 56.376 56.048 0.086 0.000 1.452 361 H CB 0.135 29.943 29.762 0.076 0.000 1.461 361 H HN 0.636 nan 8.280 nan 0.000 0.488 362 T N 2.178 116.845 114.554 0.189 0.000 2.769 362 T HA 0.221 4.571 4.350 -0.000 0.000 0.258 362 T C 0.375 175.158 174.700 0.138 0.000 1.008 362 T CA -0.892 61.304 62.100 0.160 0.000 1.021 362 T CB 1.158 70.106 68.868 0.133 0.000 1.788 362 T HN 0.540 nan 8.240 nan 0.000 0.577 363 N N 0.011 118.759 118.700 0.082 0.000 2.371 363 N HA 0.176 4.916 4.740 -0.000 0.000 0.280 363 N C -0.962 174.526 175.510 -0.036 0.000 1.084 363 N CA -0.213 52.847 53.050 0.018 0.000 0.892 363 N CB 2.218 40.678 38.487 -0.044 0.000 1.653 363 N HN 0.306 nan 8.380 nan 0.000 0.480 364 D N 1.345 121.773 120.400 0.047 0.000 2.263 364 D HA -0.062 4.578 4.640 -0.000 0.000 0.208 364 D C 1.771 178.009 176.300 -0.104 0.000 0.971 364 D CA 1.109 55.212 54.000 0.172 0.000 0.867 364 D CB 0.521 41.490 40.800 0.282 0.000 0.929 364 D HN 0.333 nan 8.370 nan 0.000 0.492 365 V N 0.384 120.037 119.914 -0.435 0.000 2.374 365 V HA -0.095 4.025 4.120 -0.000 0.000 0.241 365 V C 2.705 178.198 176.094 -1.001 0.000 1.034 365 V CA 1.916 63.737 62.300 -0.799 0.000 1.037 365 V CB -0.979 30.016 31.823 -1.380 0.000 0.682 365 V HN 0.222 nan 8.190 nan 0.000 0.463 366 K N 0.071 119.805 120.400 -1.110 0.000 2.044 366 K HA -0.325 3.995 4.320 -0.000 0.000 0.210 366 K C 2.037 178.378 176.600 -0.431 0.000 1.049 366 K CA 2.449 58.344 56.287 -0.654 0.000 0.927 366 K CB -1.058 31.305 32.500 -0.229 0.000 0.713 366 K HN 0.622 nan 8.250 nan 0.000 0.443 367 Q N -0.862 118.697 119.800 -0.401 0.000 2.030 367 Q HA -0.105 4.235 4.340 -0.000 0.000 0.204 367 Q C 2.290 177.708 176.000 -0.969 0.000 0.986 367 Q CA 1.565 57.067 55.803 -0.500 0.000 0.843 367 Q CB -0.258 28.309 28.738 -0.285 0.000 0.904 367 Q HN 0.482 nan 8.270 nan 0.000 0.420 368 L N 0.391 120.966 121.223 -1.081 0.000 2.129 368 L HA -0.221 4.119 4.340 -0.000 0.000 0.212 368 L C 1.960 178.321 176.870 -0.848 0.000 1.087 368 L CA 2.074 56.225 54.840 -1.148 0.000 0.757 368 L CB -0.752 40.870 42.059 -0.728 0.000 0.896 368 L HN 0.220 nan 8.230 nan 0.000 0.434 369 T N -1.017 113.148 114.554 -0.648 0.000 2.770 369 T HA -0.146 4.204 4.350 -0.000 0.000 0.263 369 T C 1.659 176.052 174.700 -0.510 0.000 1.039 369 T CA 1.459 63.262 62.100 -0.496 0.000 1.142 369 T CB -0.292 68.487 68.868 -0.148 0.000 0.868 369 T HN 0.433 nan 8.240 nan 0.000 0.435 370 E N 1.291 121.191 120.200 -0.499 0.000 2.171 370 E HA -0.115 4.235 4.350 -0.000 0.000 0.197 370 E C 2.407 178.509 176.600 -0.829 0.000 0.997 370 E CA 1.013 57.126 56.400 -0.478 0.000 0.810 370 E CB -0.232 29.283 29.700 -0.308 0.000 0.738 370 E HN 0.516 nan 8.360 nan 0.000 0.467 371 A N 0.683 122.812 122.820 -1.152 0.000 1.840 371 A HA -0.115 4.205 4.320 -0.000 0.000 0.214 371 A C 2.499 179.705 177.584 -0.630 0.000 1.198 371 A CA 1.079 52.472 52.037 -1.073 0.000 0.608 371 A CB -0.738 17.670 19.000 -0.985 0.000 0.839 371 A HN 0.118 nan 8.150 nan 0.000 0.443 372 V N 0.393 119.903 119.914 -0.673 0.000 2.370 372 V HA -0.339 3.781 4.120 -0.000 0.000 0.252 372 V C 2.742 178.484 176.094 -0.587 0.000 1.068 372 V CA 2.535 64.353 62.300 -0.803 0.000 1.061 372 V CB -0.949 30.201 31.823 -1.122 0.000 0.656 372 V HN 0.705 nan 8.190 nan 0.000 0.455 373 Q N 0.911 120.437 119.800 -0.456 0.000 1.993 373 Q HA -0.203 4.137 4.340 -0.000 0.000 0.202 373 Q C 2.298 178.203 176.000 -0.157 0.000 0.984 373 Q CA 2.238 57.880 55.803 -0.267 0.000 0.837 373 Q CB -0.534 28.085 28.738 -0.199 0.000 0.902 373 Q HN 0.589 nan 8.270 nan 0.000 0.423 374 K N -0.180 120.131 120.400 -0.148 0.000 2.052 374 K HA -0.223 4.097 4.320 -0.000 0.000 0.215 374 K C 2.039 178.616 176.600 -0.037 0.000 1.053 374 K CA 2.071 58.338 56.287 -0.032 0.000 0.934 374 K CB -0.461 32.077 32.500 0.063 0.000 0.717 374 K HN 0.364 nan 8.250 nan 0.000 0.450 375 I N 0.655 121.156 120.570 -0.114 0.000 2.286 375 I HA -0.257 3.913 4.170 -0.000 0.000 0.248 375 I C 2.209 178.368 176.117 0.070 0.000 1.115 375 I CA 1.490 62.742 61.300 -0.081 0.000 1.392 375 I CB -0.443 37.459 38.000 -0.164 0.000 1.065 375 I HN 0.276 nan 8.210 nan 0.000 0.418 376 T N 0.060 114.670 114.554 0.094 0.000 2.720 376 T HA -0.168 4.182 4.350 -0.000 0.000 0.268 376 T C 1.904 176.647 174.700 0.071 0.000 1.037 376 T CA 2.039 64.206 62.100 0.113 0.000 1.144 376 T CB -0.370 68.518 68.868 0.033 0.000 0.864 376 T HN 0.393 nan 8.240 nan 0.000 0.444 377 T N 1.524 116.099 114.554 0.035 0.000 2.701 377 T HA -0.096 4.254 4.350 -0.000 0.000 0.263 377 T C 1.917 176.630 174.700 0.022 0.000 1.040 377 T CA 1.401 63.519 62.100 0.030 0.000 1.147 377 T CB -0.307 68.575 68.868 0.025 0.000 0.865 377 T HN 0.543 nan 8.240 nan 0.000 0.426 378 E N 0.826 121.037 120.200 0.018 0.000 2.070 378 E HA -0.204 4.146 4.350 -0.000 0.000 0.197 378 E C 2.400 178.958 176.600 -0.070 0.000 1.004 378 E CA 1.509 57.896 56.400 -0.023 0.000 0.805 378 E CB -0.265 29.440 29.700 0.008 0.000 0.744 378 E HN 0.391 nan 8.360 nan 0.000 0.451 379 S N -0.074 115.664 115.700 0.064 0.000 2.387 379 S HA -0.163 4.307 4.470 -0.000 0.000 0.230 379 S C 1.972 176.670 174.600 0.163 0.000 1.035 379 S CA 1.391 59.745 58.200 0.257 0.000 1.014 379 S CB -0.374 63.023 63.200 0.328 0.000 0.836 379 S HN 0.385 nan 8.310 nan 0.000 0.466 380 I N 0.987 121.604 120.570 0.078 0.000 2.439 380 I HA -0.081 4.089 4.170 -0.000 0.000 0.251 380 I C 2.205 178.316 176.117 -0.010 0.000 1.139 380 I CA 0.783 62.115 61.300 0.052 0.000 1.438 380 I CB -0.358 37.670 38.000 0.046 0.000 1.085 380 I HN 0.224 nan 8.210 nan 0.000 0.427 381 V N 1.250 121.130 119.914 -0.057 0.000 2.358 381 V HA -0.220 3.900 4.120 -0.000 0.000 0.246 381 V C 2.232 178.226 176.094 -0.166 0.000 1.047 381 V CA 1.618 63.867 62.300 -0.086 0.000 1.035 381 V CB -0.388 31.387 31.823 -0.080 0.000 0.658 381 V HN 0.301 nan 8.190 nan 0.000 0.452 382 I N -1.418 118.953 120.570 -0.331 0.000 2.188 382 I HA -0.136 4.034 4.170 -0.000 0.000 0.237 382 I C 2.426 178.208 176.117 -0.559 0.000 1.073 382 I CA 1.695 62.627 61.300 -0.614 0.000 1.359 382 I CB -0.375 36.831 38.000 -1.323 0.000 1.083 382 I HN 0.340 nan 8.210 nan 0.000 0.412 383 W N 0.226 121.389 121.300 -0.228 0.000 2.704 383 W HA 0.274 4.934 4.660 -0.000 0.000 0.266 383 W C 1.672 178.053 176.519 -0.230 0.000 1.266 383 W CA 1.067 58.186 57.345 -0.377 0.000 1.377 383 W CB -0.423 28.748 29.460 -0.482 0.000 1.082 383 W HN 0.439 nan 8.180 nan 0.000 0.608 384 G N 0.905 109.761 108.800 0.094 0.000 2.211 384 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.201 384 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.201 384 G C 0.270 175.224 174.900 0.091 0.000 0.997 384 G CA 0.378 45.519 45.100 0.067 0.000 0.652 384 G HN 0.317 nan 8.290 nan 0.000 0.500 385 K N -0.643 119.835 120.400 0.131 0.000 2.305 385 K HA 0.777 5.097 4.320 -0.000 0.000 0.268 385 K C -0.466 176.204 176.600 0.117 0.000 1.034 385 K CA -0.300 56.051 56.287 0.107 0.000 0.879 385 K CB 0.797 33.348 32.500 0.086 0.000 1.506 385 K HN 0.249 nan 8.250 nan 0.000 0.425 386 T N 0.437 115.041 114.554 0.083 0.000 2.943 386 T HA 0.569 4.919 4.350 -0.000 0.000 0.284 386 T C -2.447 172.250 174.700 -0.006 0.000 1.015 386 T CA -1.560 60.590 62.100 0.084 0.000 1.042 386 T CB 1.444 70.383 68.868 0.117 0.000 1.055 386 T HN 0.495 nan 8.240 nan 0.000 0.500 387 P HA 0.446 nan 4.420 nan 0.000 0.289 387 P C -1.143 175.980 177.300 -0.296 0.000 1.302 387 P CA -1.001 61.915 63.100 -0.307 0.000 0.923 387 P CB 1.469 32.835 31.700 -0.557 0.000 1.238 388 K N 1.053 121.281 120.400 -0.287 0.000 2.298 388 K HA 0.340 4.660 4.320 -0.000 0.000 0.280 388 K C -0.367 176.057 176.600 -0.293 0.000 1.032 388 K CA -0.040 56.156 56.287 -0.152 0.000 0.958 388 K CB 0.254 32.682 32.500 -0.120 0.000 0.978 388 K HN 0.398 nan 8.250 nan 0.000 0.472 389 F N 1.740 121.647 119.950 -0.072 0.000 2.421 389 F HA 0.275 4.802 4.527 -0.000 0.000 0.337 389 F C 0.672 176.486 175.800 0.023 0.000 1.105 389 F CA -0.564 57.397 58.000 -0.066 0.000 1.049 389 F CB 1.368 40.306 39.000 -0.103 0.000 1.139 389 F HN 0.147 nan 8.300 nan 0.000 0.479 390 K N 5.171 125.645 120.400 0.123 0.000 2.404 390 K HA 0.506 4.826 4.320 -0.000 0.000 0.257 390 K C -1.309 175.389 176.600 0.162 0.000 1.026 390 K CA -0.287 56.076 56.287 0.127 0.000 0.951 390 K CB 0.960 33.487 32.500 0.044 0.000 1.203 390 K HN 0.506 nan 8.250 nan 0.000 0.446 391 L N 4.151 125.527 121.223 0.254 0.000 2.329 391 L HA 0.436 4.776 4.340 -0.000 0.000 0.279 391 L C -1.755 175.245 176.870 0.218 0.000 1.014 391 L CA -2.286 52.652 54.840 0.165 0.000 0.814 391 L CB 1.696 43.716 42.059 -0.065 0.000 1.257 391 L HN 0.365 nan 8.230 nan 0.000 0.424 392 P HA 0.049 nan 4.420 nan 0.000 0.277 392 P C -0.401 177.104 177.300 0.341 0.000 1.617 392 P CA 0.779 63.996 63.100 0.195 0.000 0.829 392 P CB 0.082 31.872 31.700 0.151 0.000 1.774 393 I N -0.738 120.099 120.570 0.445 0.000 2.656 393 I HA 0.231 4.401 4.170 -0.000 0.000 0.292 393 I C -0.833 175.538 176.117 0.424 0.000 1.144 393 I CA -1.121 60.391 61.300 0.354 0.000 1.038 393 I CB 2.806 40.896 38.000 0.150 0.000 1.244 393 I HN -0.215 nan 8.210 nan 0.000 0.420 394 Q N 6.115 125.970 119.800 0.092 0.000 2.304 394 Q HA 0.139 4.479 4.340 -0.000 0.000 0.260 394 Q C 0.840 176.962 176.000 0.202 0.000 0.965 394 Q CA -0.387 55.339 55.803 -0.128 0.000 0.898 394 Q CB 1.373 29.895 28.738 -0.360 0.000 1.196 394 Q HN 0.452 nan 8.270 nan 0.000 0.402 395 K N 2.953 123.508 120.400 0.259 0.000 2.242 395 K HA -0.297 4.023 4.320 -0.000 0.000 0.206 395 K C 1.177 177.995 176.600 0.362 0.000 1.045 395 K CA 1.810 58.350 56.287 0.421 0.000 0.930 395 K CB 0.234 32.782 32.500 0.079 0.000 0.726 395 K HN 0.715 nan 8.250 nan 0.000 0.462 396 E N -0.812 119.487 120.200 0.166 0.000 2.122 396 E HA -0.076 4.274 4.350 -0.000 0.000 0.190 396 E C 1.471 178.130 176.600 0.099 0.000 0.977 396 E CA 1.306 57.767 56.400 0.101 0.000 0.820 396 E CB 0.184 29.889 29.700 0.009 0.000 0.770 396 E HN 0.425 nan 8.360 nan 0.000 0.462 397 T N -0.218 114.400 114.554 0.105 0.000 2.867 397 T HA -0.154 4.196 4.350 -0.000 0.000 0.268 397 T C 1.508 176.308 174.700 0.166 0.000 1.057 397 T CA 0.828 62.976 62.100 0.080 0.000 1.136 397 T CB -0.444 68.450 68.868 0.042 0.000 0.874 397 T HN 0.396 nan 8.240 nan 0.000 0.466 398 W N 2.287 123.658 121.300 0.118 0.000 2.484 398 W HA -0.022 4.638 4.660 -0.000 0.000 0.320 398 W C 1.816 178.516 176.519 0.302 0.000 1.159 398 W CA 1.066 58.520 57.345 0.182 0.000 1.352 398 W CB -0.453 29.084 29.460 0.129 0.000 1.185 398 W HN 0.164 nan 8.180 nan 0.000 0.470 399 E N 0.318 120.663 120.200 0.242 0.000 2.301 399 E HA -0.211 4.139 4.350 -0.000 0.000 0.202 399 E C 2.058 178.357 176.600 -0.502 0.000 1.017 399 E CA 2.470 58.861 56.400 -0.016 0.000 0.831 399 E CB -0.406 29.465 29.700 0.285 0.000 0.742 399 E HN 0.166 nan 8.360 nan 0.000 0.491 400 T N -1.347 113.062 114.554 -0.241 0.000 2.851 400 T HA -0.107 4.243 4.350 -0.000 0.000 0.262 400 T C 1.207 175.742 174.700 -0.275 0.000 1.043 400 T CA 1.028 62.975 62.100 -0.255 0.000 1.140 400 T CB -0.374 68.427 68.868 -0.110 0.000 0.872 400 T HN 0.460 nan 8.240 nan 0.000 0.446 401 W N 1.804 122.868 121.300 -0.394 0.000 2.418 401 W HA -0.030 4.630 4.660 -0.000 0.000 0.292 401 W C 2.118 178.407 176.519 -0.383 0.000 1.213 401 W CA 0.692 57.814 57.345 -0.372 0.000 1.283 401 W CB -0.322 28.914 29.460 -0.374 0.000 1.119 401 W HN 0.494 nan 8.180 nan 0.000 0.542 402 W N -0.222 120.636 121.300 -0.736 0.000 2.518 402 W HA 0.020 4.679 4.660 -0.000 0.000 0.273 402 W C 1.049 177.272 176.519 -0.493 0.000 1.247 402 W CA 1.299 58.130 57.345 -0.856 0.000 1.288 402 W CB -1.189 27.766 29.460 -0.841 0.000 1.107 402 W HN -0.257 nan 8.180 nan 0.000 0.586 403 T N 1.276 115.191 114.554 -1.065 0.000 3.055 403 T HA -0.068 4.282 4.350 -0.000 0.000 0.265 403 T C 1.410 175.819 174.700 -0.484 0.000 1.111 403 T CA 1.340 62.815 62.100 -1.041 0.000 1.118 403 T CB -0.021 68.153 68.868 -1.157 0.000 0.909 403 T HN 0.260 nan 8.240 nan 0.000 0.501 404 E N -0.526 119.426 120.200 -0.413 0.000 2.201 404 E HA 0.074 4.424 4.350 -0.000 0.000 0.193 404 E C -0.103 176.368 176.600 -0.214 0.000 0.957 404 E CA -0.128 56.119 56.400 -0.256 0.000 0.858 404 E CB 0.181 29.755 29.700 -0.210 0.000 0.816 404 E HN 0.334 nan 8.360 nan 0.000 0.475 405 Y N 2.439 122.377 120.300 -0.603 0.000 2.650 405 Y HA -0.170 4.380 4.550 -0.000 0.000 0.331 405 Y C 0.979 176.616 175.900 -0.439 0.000 1.165 405 Y CA -0.552 57.115 58.100 -0.721 0.000 1.473 405 Y CB 0.177 37.797 38.460 -1.400 0.000 1.224 405 Y HN 0.212 nan 8.280 nan 0.000 0.533 406 W N 4.393 125.367 121.300 -0.543 0.000 2.632 406 W HA -0.051 4.609 4.660 -0.000 0.000 0.248 406 W C -0.405 175.841 176.519 -0.456 0.000 1.259 406 W CA 0.242 57.332 57.345 -0.426 0.000 1.288 406 W CB -0.193 29.053 29.460 -0.356 0.000 1.136 406 W HN 0.536 nan 8.180 nan 0.000 0.640 407 Q N 1.303 120.347 119.800 -1.260 0.000 2.342 407 Q HA 0.538 4.878 4.340 -0.000 0.000 0.267 407 Q C -0.198 175.563 176.000 -0.398 0.000 1.038 407 Q CA -0.563 54.688 55.803 -0.921 0.000 0.832 407 Q CB 2.314 29.954 28.738 -1.830 0.000 1.323 407 Q HN 0.016 nan 8.270 nan 0.000 0.448 408 A N 2.063 124.786 122.820 -0.161 0.000 2.507 408 A HA 0.440 4.760 4.320 -0.000 0.000 0.235 408 A C -0.515 177.046 177.584 -0.038 0.000 1.070 408 A CA 0.673 52.670 52.037 -0.068 0.000 0.768 408 A CB 0.127 19.113 19.000 -0.023 0.000 1.011 408 A HN 0.776 nan 8.150 nan 0.000 0.502 409 T N -0.466 114.084 114.554 -0.007 0.000 3.579 409 T HA 0.427 4.777 4.350 -0.000 0.000 0.360 409 T C -1.086 173.683 174.700 0.115 0.000 1.285 409 T CA -0.309 61.841 62.100 0.083 0.000 1.127 409 T CB 0.648 69.612 68.868 0.159 0.000 1.244 409 T HN 1.157 nan 8.240 nan 0.000 0.476 410 W N 6.230 127.495 121.300 -0.058 0.000 2.517 410 W HA 0.589 5.249 4.660 -0.000 0.000 0.301 410 W C -2.003 174.454 176.519 -0.103 0.000 1.002 410 W CA -1.262 56.025 57.345 -0.096 0.000 1.415 410 W CB 0.680 30.079 29.460 -0.102 0.000 1.275 410 W HN 0.813 nan 8.180 nan 0.000 0.413 411 I N 9.996 130.138 120.570 -0.713 0.000 2.312 411 I HA 0.258 4.427 4.170 -0.000 0.000 0.291 411 I C -1.220 174.137 176.117 -1.266 0.000 1.031 411 I CA -2.076 58.637 61.300 -0.977 0.000 1.293 411 I CB 1.266 38.543 38.000 -1.205 0.000 1.403 411 I HN 0.223 nan 8.210 nan 0.000 0.484 412 P HA -0.071 nan 4.420 nan 0.000 0.278 412 P C -0.588 176.513 177.300 -0.332 0.000 1.268 412 P CA -0.066 62.610 63.100 -0.707 0.000 0.813 412 P CB 0.350 31.892 31.700 -0.265 0.000 1.180 413 E N -0.532 119.623 120.200 -0.074 0.000 2.344 413 E HA 0.162 4.512 4.350 -0.000 0.000 0.270 413 E C -0.379 176.333 176.600 0.188 0.000 1.021 413 E CA 0.289 56.714 56.400 0.042 0.000 0.887 413 E CB 0.083 29.789 29.700 0.011 0.000 0.997 413 E HN 0.450 nan 8.360 nan 0.000 0.429 414 W N 2.057 123.283 121.300 -0.123 0.000 3.062 414 W HA 0.590 5.250 4.660 -0.000 0.000 0.336 414 W C -0.966 175.534 176.519 -0.032 0.000 1.224 414 W CA -0.852 56.455 57.345 -0.064 0.000 1.159 414 W CB 0.914 30.297 29.460 -0.128 0.000 1.454 414 W HN 0.327 nan 8.180 nan 0.000 0.569 415 E N 1.311 121.480 120.200 -0.052 0.000 2.336 415 E HA 0.453 4.803 4.350 -0.000 0.000 0.267 415 E C -1.621 175.082 176.600 0.171 0.000 0.906 415 E CA -1.224 55.101 56.400 -0.124 0.000 0.781 415 E CB 2.087 31.762 29.700 -0.040 0.000 1.261 415 E HN 0.437 nan 8.360 nan 0.000 0.436 416 F N 2.498 122.449 119.950 0.000 0.000 2.389 416 F HA 0.437 4.964 4.527 -0.000 0.000 0.337 416 F C -1.002 174.847 175.800 0.082 0.000 1.112 416 F CA -0.307 57.758 58.000 0.108 0.000 1.192 416 F CB 0.975 40.019 39.000 0.072 0.000 1.185 416 F HN 0.111 nan 8.300 nan 0.000 0.552 417 V N 6.423 125.839 119.914 -0.830 0.000 2.577 417 V HA 0.172 4.291 4.120 -0.000 0.000 0.303 417 V C 0.365 175.749 176.094 -1.184 0.000 1.042 417 V CA -0.767 61.100 62.300 -0.722 0.000 0.872 417 V CB 1.599 33.264 31.823 -0.263 0.000 0.998 417 V HN 0.887 nan 8.190 nan 0.000 0.423 418 N N 1.832 120.005 118.700 -0.879 0.000 2.521 418 N HA -0.055 4.685 4.740 -0.000 0.000 0.188 418 N C 0.782 176.180 175.510 -0.186 0.000 1.146 418 N CA 0.386 53.139 53.050 -0.495 0.000 0.893 418 N CB 0.304 38.692 38.487 -0.165 0.000 0.975 418 N HN 0.845 nan 8.380 nan 0.000 0.451 419 T N 0.971 115.416 114.554 -0.181 0.000 2.775 419 T HA 0.163 4.513 4.350 -0.000 0.000 0.281 419 T C -2.201 172.480 174.700 -0.032 0.000 0.908 419 T CA -1.597 60.455 62.100 -0.079 0.000 1.123 419 T CB 0.749 69.574 68.868 -0.071 0.000 0.879 419 T HN 0.034 nan 8.240 nan 0.000 0.547 420 P HA 0.218 nan 4.420 nan 0.000 0.271 420 P C -1.862 175.444 177.300 0.009 0.000 1.244 420 P CA -1.100 62.016 63.100 0.026 0.000 0.793 420 P CB -0.427 31.295 31.700 0.037 0.000 0.984 421 P HA 0.136 nan 4.420 nan 0.000 0.270 421 P C -0.745 176.598 177.300 0.072 0.000 1.227 421 P CA -0.147 62.979 63.100 0.043 0.000 0.788 421 P CB 0.394 32.109 31.700 0.025 0.000 0.926 422 L N 1.825 123.112 121.223 0.108 0.000 2.287 422 L HA 0.256 4.596 4.340 -0.000 0.000 0.287 422 L C -0.400 176.548 176.870 0.130 0.000 1.022 422 L CA -0.838 54.083 54.840 0.135 0.000 0.814 422 L CB 1.415 43.551 42.059 0.128 0.000 1.217 422 L HN 0.095 nan 8.230 nan 0.000 0.420 423 V N 5.803 125.814 119.914 0.161 0.000 2.655 423 V HA 0.354 4.474 4.120 -0.000 0.000 0.300 423 V C 0.257 176.387 176.094 0.060 0.000 1.044 423 V CA -0.002 62.395 62.300 0.160 0.000 1.095 423 V CB 0.395 32.336 31.823 0.197 0.000 0.952 423 V HN 0.964 nan 8.190 nan 0.000 0.485 424 K N 3.807 124.211 120.400 0.006 0.000 2.680 424 K HA 0.551 4.871 4.320 -0.000 0.000 0.295 424 K C -1.977 174.506 176.600 -0.194 0.000 1.052 424 K CA -1.092 55.101 56.287 -0.158 0.000 0.863 424 K CB 1.281 33.569 32.500 -0.353 0.000 1.549 424 K HN 0.367 nan 8.250 nan 0.000 0.391 425 L N 1.742 122.823 121.223 -0.236 0.000 2.264 425 L HA 0.365 4.705 4.340 -0.000 0.000 0.289 425 L C -0.243 176.487 176.870 -0.232 0.000 1.044 425 L CA -0.661 54.082 54.840 -0.162 0.000 0.807 425 L CB 0.563 42.545 42.059 -0.128 0.000 1.192 425 L HN 0.660 nan 8.230 nan 0.000 0.425 426 W N 3.420 124.731 121.300 0.018 0.000 3.290 426 W HA 0.150 4.810 4.660 -0.000 0.000 0.287 426 W C -0.346 176.356 176.519 0.306 0.000 1.288 426 W CA -0.283 57.160 57.345 0.163 0.000 1.725 426 W CB 0.008 29.611 29.460 0.238 0.000 1.103 426 W HN 0.474 nan 8.180 nan 0.000 0.670 427 Y N -1.864 118.537 120.300 0.169 0.000 2.365 427 Y HA 0.304 4.854 4.550 -0.000 0.000 0.324 427 Y C -1.171 174.781 175.900 0.087 0.000 1.330 427 Y CA -1.859 56.312 58.100 0.117 0.000 1.271 427 Y CB -0.151 38.388 38.460 0.133 0.000 1.306 427 Y HN -0.161 nan 8.280 nan 0.000 0.451 428 Q N 4.358 124.212 119.800 0.089 0.000 2.306 428 Q HA 0.658 4.998 4.340 -0.000 0.000 0.265 428 Q C -0.987 175.089 176.000 0.127 0.000 1.022 428 Q CA -1.218 54.601 55.803 0.027 0.000 0.853 428 Q CB 3.114 31.857 28.738 0.008 0.000 1.327 428 Q HN 0.754 nan 8.270 nan 0.000 0.449 429 L N 1.891 123.182 121.223 0.113 0.000 2.334 429 L HA 0.277 4.617 4.340 -0.000 0.000 0.277 429 L C 0.365 177.314 176.870 0.130 0.000 1.075 429 L CA -0.800 54.123 54.840 0.139 0.000 0.804 429 L CB 0.932 43.061 42.059 0.117 0.000 1.174 429 L HN 0.431 nan 8.230 nan 0.000 0.438 430 E N 2.427 122.734 120.200 0.179 0.000 2.384 430 E HA 0.011 4.361 4.350 -0.000 0.000 0.266 430 E C 0.459 177.235 176.600 0.293 0.000 1.012 430 E CA 0.118 56.639 56.400 0.200 0.000 0.901 430 E CB 1.045 30.864 29.700 0.199 0.000 0.967 430 E HN 0.444 nan 8.360 nan 0.000 0.435 431 K N 1.517 122.025 120.400 0.180 0.000 2.076 431 K HA -0.021 4.299 4.320 -0.000 0.000 0.204 431 K C 0.332 177.069 176.600 0.229 0.000 1.051 431 K CA 0.809 57.210 56.287 0.190 0.000 0.949 431 K CB 0.293 32.844 32.500 0.086 0.000 0.726 431 K HN 0.359 nan 8.250 nan 0.000 0.443 432 E N 0.954 121.169 120.200 0.026 0.000 2.195 432 E HA 0.266 4.616 4.350 -0.000 0.000 0.271 432 E C -2.407 173.852 176.600 -0.569 0.000 0.923 432 E CA -2.641 53.635 56.400 -0.207 0.000 0.790 432 E CB 1.208 30.833 29.700 -0.125 0.000 1.155 432 E HN -0.029 nan 8.360 nan 0.000 0.402 433 P HA 0.040 nan 4.420 nan 0.000 0.272 433 P C -0.047 177.020 177.300 -0.387 0.000 1.243 433 P CA 0.177 62.638 63.100 -1.064 0.000 0.803 433 P CB 0.658 31.877 31.700 -0.802 0.000 0.974 434 I N 0.124 120.565 120.570 -0.214 0.000 2.330 434 I HA 0.158 4.328 4.170 -0.000 0.000 0.289 434 I C 0.233 176.306 176.117 -0.074 0.000 1.001 434 I CA -1.145 60.099 61.300 -0.094 0.000 1.193 434 I CB 1.389 39.374 38.000 -0.024 0.000 1.345 434 I HN -0.016 nan 8.210 nan 0.000 0.461 435 V N 5.502 125.377 119.914 -0.066 0.000 2.614 435 V HA 0.344 4.464 4.120 -0.000 0.000 0.291 435 V C 1.297 177.373 176.094 -0.030 0.000 1.049 435 V CA 0.506 62.778 62.300 -0.048 0.000 1.038 435 V CB 0.544 32.341 31.823 -0.044 0.000 0.980 435 V HN 1.149 nan 8.190 nan 0.000 0.481 436 G N 3.073 111.859 108.800 -0.024 0.000 2.179 436 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.260 436 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.260 436 G C 0.364 175.258 174.900 -0.010 0.000 0.977 436 G CA 0.197 45.288 45.100 -0.016 0.000 0.641 436 G HN 1.528 nan 8.290 nan 0.000 0.533 437 A N -0.023 122.791 122.820 -0.010 0.000 2.316 437 A HA 0.702 5.022 4.320 -0.000 0.000 0.284 437 A C 0.350 177.937 177.584 0.004 0.000 1.115 437 A CA 0.406 52.447 52.037 0.006 0.000 0.812 437 A CB 0.602 19.609 19.000 0.013 0.000 1.064 437 A HN 0.620 nan 8.150 nan 0.000 0.489 438 E N 0.675 120.889 120.200 0.022 0.000 2.373 438 E HA 0.279 4.629 4.350 -0.000 0.000 0.267 438 E C -0.671 175.929 176.600 0.000 0.000 1.032 438 E CA 0.138 56.529 56.400 -0.014 0.000 0.889 438 E CB 0.505 30.214 29.700 0.015 0.000 0.984 438 E HN 0.527 nan 8.360 nan 0.000 0.425 439 T N 4.865 119.355 114.554 -0.106 0.000 2.772 439 T HA 0.320 4.670 4.350 -0.000 0.000 0.288 439 T C -1.031 173.527 174.700 -0.237 0.000 0.994 439 T CA -0.340 61.686 62.100 -0.124 0.000 0.951 439 T CB 0.013 68.803 68.868 -0.130 0.000 0.933 439 T HN 0.252 nan 8.240 nan 0.000 0.447 440 F N 2.864 122.670 119.950 -0.241 0.000 2.385 440 F HA 0.386 4.913 4.527 -0.000 0.000 0.360 440 F C -0.169 175.495 175.800 -0.227 0.000 1.122 440 F CA -0.977 56.900 58.000 -0.206 0.000 1.090 440 F CB 0.825 39.690 39.000 -0.226 0.000 1.150 440 F HN 0.548 nan 8.300 nan 0.000 0.472 441 Y N 3.996 124.382 120.300 0.142 0.000 2.676 441 Y HA 0.385 4.935 4.550 -0.000 0.000 0.338 441 Y C 0.272 176.283 175.900 0.185 0.000 1.057 441 Y CA -0.951 57.219 58.100 0.116 0.000 1.314 441 Y CB 0.315 38.808 38.460 0.056 0.000 1.164 441 Y HN 0.342 nan 8.280 nan 0.000 0.509 442 V N -0.480 119.586 119.914 0.254 0.000 2.904 442 V HA 0.713 4.833 4.120 -0.000 0.000 0.305 442 V C -0.371 175.832 176.094 0.181 0.000 1.067 442 V CA -0.476 61.974 62.300 0.249 0.000 1.044 442 V CB 1.924 33.860 31.823 0.188 0.000 1.050 442 V HN 0.585 nan 8.190 nan 0.000 0.475 443 D N -0.084 120.411 120.400 0.158 0.000 2.683 443 D HA 0.686 5.326 4.640 -0.000 0.000 0.246 443 D C -0.437 175.923 176.300 0.100 0.000 1.238 443 D CA 0.468 54.540 54.000 0.119 0.000 0.759 443 D CB 1.945 42.811 40.800 0.109 0.000 1.349 443 D HN 1.132 nan 8.370 nan 0.000 0.426 444 G N -0.346 108.510 108.800 0.093 0.000 2.680 444 G HA2 0.929 4.889 3.960 -0.000 0.000 0.290 444 G HA3 0.929 4.889 3.960 -0.000 0.000 0.290 444 G C -1.567 173.379 174.900 0.077 0.000 1.355 444 G CA -0.375 44.774 45.100 0.081 0.000 0.903 444 G HN 0.918 nan 8.290 nan 0.000 0.474 445 A N -1.083 121.776 122.820 0.065 0.000 2.549 445 A HA 0.818 5.138 4.320 -0.000 0.000 0.306 445 A C -0.549 177.061 177.584 0.045 0.000 1.053 445 A CA 0.320 52.393 52.037 0.061 0.000 0.892 445 A CB 0.625 19.665 19.000 0.065 0.000 1.329 445 A HN 2.337 nan 8.150 nan 0.000 0.388 446 A N 1.956 124.799 122.820 0.039 0.000 2.380 446 A HA 0.821 5.141 4.320 -0.000 0.000 0.315 446 A C -0.343 177.254 177.584 0.023 0.000 1.101 446 A CA -0.747 51.306 52.037 0.028 0.000 0.771 446 A CB 1.037 20.052 19.000 0.025 0.000 1.287 446 A HN 0.834 nan 8.150 nan 0.000 0.436 447 N N 0.304 119.014 118.700 0.017 0.000 2.411 447 N HA 0.117 4.857 4.740 -0.000 0.000 0.259 447 N C 0.980 176.496 175.510 0.010 0.000 1.103 447 N CA -0.186 52.872 53.050 0.013 0.000 0.954 447 N CB 1.091 39.584 38.487 0.010 0.000 1.085 447 N HN 0.678 nan 8.380 nan 0.000 0.485 448 R N 3.327 123.833 120.500 0.009 0.000 2.082 448 R HA -0.131 4.209 4.340 -0.000 0.000 0.234 448 R C 1.448 177.751 176.300 0.004 0.000 1.136 448 R CA 1.824 57.928 56.100 0.006 0.000 0.935 448 R CB -0.535 29.768 30.300 0.005 0.000 0.842 448 R HN 0.657 nan 8.270 nan 0.000 0.430 449 E N -0.631 119.572 120.200 0.004 0.000 2.012 449 E HA -0.143 4.207 4.350 -0.000 0.000 0.197 449 E C 1.682 178.285 176.600 0.004 0.000 1.007 449 E CA 2.427 58.829 56.400 0.003 0.000 0.816 449 E CB -0.531 29.171 29.700 0.003 0.000 0.762 449 E HN 0.527 nan 8.360 nan 0.000 0.451 450 T N -1.007 113.550 114.554 0.005 0.000 3.098 450 T HA -0.146 4.203 4.350 -0.000 0.000 0.266 450 T C 0.874 175.578 174.700 0.006 0.000 1.145 450 T CA 1.108 63.211 62.100 0.005 0.000 1.092 450 T CB -0.662 68.209 68.868 0.005 0.000 0.908 450 T HN 0.515 nan 8.240 nan 0.000 0.526 451 K N -0.247 120.157 120.400 0.006 0.000 3.130 451 K HA -0.177 4.143 4.320 -0.000 0.000 0.282 451 K C -0.434 176.172 176.600 0.009 0.000 1.145 451 K CA 0.895 57.187 56.287 0.007 0.000 0.831 451 K CB -2.675 29.828 32.500 0.006 0.000 1.226 451 K HN 0.515 nan 8.250 nan 0.000 0.478 452 L N 0.072 121.301 121.223 0.010 0.000 2.334 452 L HA 0.777 5.117 4.340 -0.000 0.000 0.272 452 L C 0.885 177.763 176.870 0.014 0.000 1.020 452 L CA -0.382 54.464 54.840 0.011 0.000 0.812 452 L CB 1.921 43.986 42.059 0.009 0.000 1.264 452 L HN 0.370 nan 8.230 nan 0.000 0.439 453 G N 0.965 109.775 108.800 0.016 0.000 2.975 453 G HA2 0.683 4.643 3.960 -0.000 0.000 0.291 453 G HA3 0.683 4.643 3.960 -0.000 0.000 0.291 453 G C -1.751 173.161 174.900 0.020 0.000 1.334 453 G CA -0.487 44.625 45.100 0.021 0.000 0.843 453 G HN 0.453 nan 8.290 nan 0.000 0.548 454 K N -1.019 119.396 120.400 0.025 0.000 2.557 454 K HA 0.635 4.954 4.320 -0.000 0.000 0.257 454 K C -1.267 175.350 176.600 0.027 0.000 0.933 454 K CA -0.548 55.751 56.287 0.020 0.000 0.820 454 K CB 2.554 35.064 32.500 0.016 0.000 1.330 454 K HN 0.822 nan 8.250 nan 0.000 0.432 455 A N 1.574 124.405 122.820 0.018 0.000 2.356 455 A HA 0.929 5.249 4.320 -0.000 0.000 0.310 455 A C -0.534 177.040 177.584 -0.016 0.000 1.075 455 A CA -0.337 51.716 52.037 0.027 0.000 0.746 455 A CB 1.626 20.652 19.000 0.044 0.000 1.221 455 A HN 0.783 nan 8.150 nan 0.000 0.443 456 G N 0.061 108.859 108.800 -0.004 0.000 2.619 456 G HA2 0.738 4.698 3.960 -0.000 0.000 0.305 456 G HA3 0.738 4.698 3.960 -0.000 0.000 0.305 456 G C -1.174 173.755 174.900 0.049 0.000 1.330 456 G CA 0.088 45.128 45.100 -0.099 0.000 0.789 456 G HN 1.698 nan 8.290 nan 0.000 0.487 457 Y N -3.403 116.981 120.300 0.140 0.000 2.764 457 Y HA 0.786 5.336 4.550 -0.000 0.000 0.331 457 Y C -1.434 174.558 175.900 0.154 0.000 1.280 457 Y CA -1.572 56.647 58.100 0.198 0.000 1.065 457 Y CB 1.925 40.598 38.460 0.354 0.000 1.319 457 Y HN 0.614 nan 8.280 nan 0.000 0.453 458 V N 1.739 121.967 119.914 0.523 0.000 2.671 458 V HA 0.317 4.437 4.120 -0.000 0.000 0.292 458 V C -0.390 175.776 176.094 0.120 0.000 1.115 458 V CA -0.295 62.174 62.300 0.281 0.000 0.918 458 V CB 1.679 33.598 31.823 0.160 0.000 1.036 458 V HN 1.038 nan 8.190 nan 0.000 0.445 459 T N 0.473 114.942 114.554 -0.141 0.000 2.874 459 T HA 0.242 4.592 4.350 -0.000 0.000 0.281 459 T C 1.384 176.015 174.700 -0.116 0.000 0.994 459 T CA -0.005 61.891 62.100 -0.341 0.000 1.015 459 T CB 0.946 69.339 68.868 -0.791 0.000 1.028 459 T HN 0.742 nan 8.240 nan 0.000 0.523 460 N N 1.041 119.693 118.700 -0.079 0.000 2.120 460 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 460 N C 1.141 176.614 175.510 -0.062 0.000 1.024 460 N CA 0.725 53.765 53.050 -0.016 0.000 0.852 460 N CB -0.245 38.251 38.487 0.015 0.000 1.003 460 N HN 0.571 nan 8.380 nan 0.000 0.424 461 K N 0.488 120.821 120.400 -0.111 0.000 2.665 461 K HA 0.021 4.341 4.320 -0.000 0.000 0.196 461 K C 0.813 177.369 176.600 -0.073 0.000 1.021 461 K CA 0.464 56.697 56.287 -0.091 0.000 1.066 461 K CB -0.253 32.181 32.500 -0.110 0.000 0.849 461 K HN 0.549 nan 8.250 nan 0.000 0.500 462 G N 1.773 110.534 108.800 -0.064 0.000 2.205 462 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.261 462 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.261 462 G C 0.149 175.040 174.900 -0.015 0.000 0.980 462 G CA 0.006 45.086 45.100 -0.033 0.000 0.632 462 G HN 0.408 nan 8.290 nan 0.000 0.533 463 R N 1.012 121.487 120.500 -0.042 0.000 2.401 463 R HA 0.454 4.794 4.340 -0.000 0.000 0.299 463 R C 0.279 176.675 176.300 0.160 0.000 1.064 463 R CA 0.361 56.479 56.100 0.030 0.000 1.000 463 R CB 0.194 30.476 30.300 -0.031 0.000 0.973 463 R HN 0.539 nan 8.270 nan 0.000 0.438 464 Q N 2.447 122.382 119.800 0.225 0.000 2.496 464 Q HA 0.505 4.845 4.340 -0.000 0.000 0.286 464 Q C -1.256 174.824 176.000 0.134 0.000 1.103 464 Q CA -0.983 54.968 55.803 0.247 0.000 0.813 464 Q CB 2.833 31.634 28.738 0.104 0.000 1.444 464 Q HN 0.397 nan 8.270 nan 0.000 0.443 465 K N 0.424 120.730 120.400 -0.157 0.000 2.592 465 K HA 0.395 4.715 4.320 -0.000 0.000 0.259 465 K C -2.145 174.261 176.600 -0.322 0.000 0.937 465 K CA -0.331 55.751 56.287 -0.342 0.000 0.874 465 K CB 1.922 34.004 32.500 -0.697 0.000 1.339 465 K HN 0.387 nan 8.250 nan 0.000 0.425 466 V N 4.243 124.054 119.914 -0.172 0.000 2.439 466 V HA 0.267 4.387 4.120 -0.000 0.000 0.277 466 V C -0.638 175.410 176.094 -0.077 0.000 1.008 466 V CA -0.788 61.447 62.300 -0.110 0.000 0.846 466 V CB 1.651 33.441 31.823 -0.054 0.000 1.031 466 V HN 0.517 nan 8.190 nan 0.000 0.441 467 V N 8.223 128.091 119.914 -0.078 0.000 2.509 467 V HA 0.464 4.584 4.120 -0.000 0.000 0.284 467 V C -1.986 174.099 176.094 -0.015 0.000 1.047 467 V CA -1.565 60.711 62.300 -0.040 0.000 0.952 467 V CB 2.081 33.884 31.823 -0.033 0.000 0.988 467 V HN 0.680 nan 8.190 nan 0.000 0.469 468 P HA 0.590 nan 4.420 nan 0.000 0.286 468 P C -1.360 175.946 177.300 0.010 0.000 1.261 468 P CA -0.483 62.619 63.100 0.003 0.000 0.821 468 P CB 1.164 32.865 31.700 0.002 0.000 1.013 469 L N 0.801 122.032 121.223 0.013 0.000 2.409 469 L HA 0.638 4.978 4.340 -0.000 0.000 0.262 469 L C 0.029 176.908 176.870 0.014 0.000 0.992 469 L CA -0.458 54.392 54.840 0.016 0.000 0.817 469 L CB 2.417 44.489 42.059 0.022 0.000 1.350 469 L HN 0.216 nan 8.230 nan 0.000 0.411 470 T N 0.272 114.833 114.554 0.013 0.000 2.908 470 T HA 0.367 4.717 4.350 -0.000 0.000 0.290 470 T C 0.110 174.816 174.700 0.011 0.000 1.034 470 T CA -0.381 61.725 62.100 0.011 0.000 1.010 470 T CB 1.203 70.076 68.868 0.009 0.000 1.068 470 T HN 0.665 nan 8.240 nan 0.000 0.481 471 N N 1.144 119.850 118.700 0.010 0.000 2.740 471 N HA -0.142 4.598 4.740 -0.000 0.000 0.248 471 N C -0.322 175.195 175.510 0.011 0.000 1.062 471 N CA 1.007 54.062 53.050 0.009 0.000 0.704 471 N CB -0.661 37.831 38.487 0.008 0.000 0.968 471 N HN 0.658 nan 8.380 nan 0.000 0.547 472 T N -0.994 113.568 114.554 0.014 0.000 2.905 472 T HA 0.765 5.115 4.350 -0.000 0.000 0.283 472 T C -0.232 174.478 174.700 0.016 0.000 1.031 472 T CA 0.264 62.374 62.100 0.018 0.000 1.002 472 T CB 1.480 70.362 68.868 0.023 0.000 1.200 472 T HN 0.250 nan 8.240 nan 0.000 0.560 473 T N 0.837 115.402 114.554 0.018 0.000 2.916 473 T HA 0.332 4.682 4.350 -0.000 0.000 0.305 473 T C 0.836 175.545 174.700 0.014 0.000 1.119 473 T CA -0.844 61.261 62.100 0.009 0.000 1.008 473 T CB 1.430 70.294 68.868 -0.007 0.000 1.129 473 T HN 0.507 nan 8.240 nan 0.000 0.480 474 N N 1.408 120.114 118.700 0.010 0.000 2.225 474 N HA -0.322 4.417 4.740 -0.000 0.000 0.198 474 N C 1.653 177.183 175.510 0.033 0.000 0.959 474 N CA 2.655 55.719 53.050 0.023 0.000 0.915 474 N CB -0.307 38.187 38.487 0.011 0.000 1.072 474 N HN 0.768 nan 8.380 nan 0.000 0.620 475 Q N -0.465 119.323 119.800 -0.020 0.000 1.990 475 Q HA -0.092 4.248 4.340 -0.000 0.000 0.200 475 Q C 2.030 178.113 176.000 0.138 0.000 0.980 475 Q CA 0.897 56.708 55.803 0.014 0.000 0.832 475 Q CB -0.216 28.336 28.738 -0.309 0.000 0.897 475 Q HN 0.289 nan 8.270 nan 0.000 0.427 476 K N 0.458 120.911 120.400 0.088 0.000 2.049 476 K HA -0.230 4.090 4.320 -0.000 0.000 0.219 476 K C 2.373 179.027 176.600 0.090 0.000 1.056 476 K CA 2.299 58.641 56.287 0.091 0.000 0.946 476 K CB -0.945 31.587 32.500 0.053 0.000 0.723 476 K HN 0.507 nan 8.250 nan 0.000 0.453 477 T N -0.099 114.500 114.554 0.075 0.000 2.635 477 T HA -0.156 4.193 4.350 -0.000 0.000 0.267 477 T C 1.669 176.428 174.700 0.097 0.000 1.040 477 T CA 1.195 63.340 62.100 0.075 0.000 1.156 477 T CB -0.309 68.596 68.868 0.062 0.000 0.863 477 T HN 0.116 nan 8.240 nan 0.000 0.430 478 E N 0.985 121.256 120.200 0.119 0.000 2.396 478 E HA 0.028 4.378 4.350 -0.000 0.000 0.200 478 E C 1.981 178.661 176.600 0.133 0.000 1.023 478 E CA 0.562 57.046 56.400 0.139 0.000 0.857 478 E CB -0.253 29.556 29.700 0.181 0.000 0.775 478 E HN 0.615 nan 8.360 nan 0.000 0.525 479 L N -0.888 120.410 121.223 0.124 0.000 2.388 479 L HA -0.003 4.337 4.340 -0.000 0.000 0.209 479 L C 2.338 179.269 176.870 0.101 0.000 1.061 479 L CA 0.112 55.004 54.840 0.086 0.000 0.834 479 L CB -0.138 41.956 42.059 0.058 0.000 1.029 479 L HN 0.005 nan 8.230 nan 0.000 0.473 480 Q N 1.086 120.945 119.800 0.098 0.000 2.173 480 Q HA -0.227 4.113 4.340 -0.000 0.000 0.208 480 Q C 2.062 178.150 176.000 0.147 0.000 0.989 480 Q CA 2.333 58.204 55.803 0.115 0.000 0.872 480 Q CB -0.178 28.609 28.738 0.082 0.000 0.909 480 Q HN 0.469 nan 8.270 nan 0.000 0.420 481 A N -0.005 122.886 122.820 0.118 0.000 1.832 481 A HA -0.135 4.185 4.320 -0.000 0.000 0.214 481 A C 2.116 179.769 177.584 0.116 0.000 1.200 481 A CA 1.504 53.611 52.037 0.117 0.000 0.610 481 A CB -0.865 18.205 19.000 0.116 0.000 0.842 481 A HN 0.444 nan 8.150 nan 0.000 0.444 482 I N -1.772 118.856 120.570 0.097 0.000 2.113 482 I HA -0.333 3.837 4.170 -0.000 0.000 0.242 482 I C 2.495 178.636 176.117 0.039 0.000 1.064 482 I CA 2.139 63.470 61.300 0.051 0.000 1.320 482 I CB -0.595 37.428 38.000 0.039 0.000 1.028 482 I HN 0.522 nan 8.210 nan 0.000 0.406 483 Y N 1.153 121.432 120.300 -0.034 0.000 2.241 483 Y HA -0.276 4.274 4.550 -0.000 0.000 0.286 483 Y C 2.223 178.097 175.900 -0.042 0.000 1.166 483 Y CA 1.469 59.540 58.100 -0.048 0.000 1.203 483 Y CB -0.195 38.246 38.460 -0.032 0.000 0.977 483 Y HN 0.056 nan 8.280 nan 0.000 0.529 484 L N -0.293 120.902 121.223 -0.045 0.000 2.072 484 L HA -0.021 4.319 4.340 -0.000 0.000 0.205 484 L C 2.620 179.429 176.870 -0.101 0.000 1.079 484 L CA 1.844 56.648 54.840 -0.060 0.000 0.752 484 L CB -1.450 40.654 42.059 0.075 0.000 0.906 484 L HN 0.249 nan 8.230 nan 0.000 0.436 485 A N -0.761 121.960 122.820 -0.165 0.000 1.902 485 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 485 A C 2.202 179.337 177.584 -0.749 0.000 1.181 485 A CA 1.801 53.427 52.037 -0.686 0.000 0.623 485 A CB -0.790 17.930 19.000 -0.467 0.000 0.818 485 A HN 0.432 nan 8.150 nan 0.000 0.443 486 L N -1.198 119.769 121.223 -0.428 0.000 2.291 486 L HA -0.121 4.219 4.340 -0.000 0.000 0.214 486 L C 2.704 179.363 176.870 -0.351 0.000 1.120 486 L CA 0.897 55.529 54.840 -0.347 0.000 0.799 486 L CB -0.397 41.521 42.059 -0.234 0.000 0.925 486 L HN 0.478 nan 8.230 nan 0.000 0.446 487 Q N -0.098 119.454 119.800 -0.413 0.000 2.187 487 Q HA -0.135 4.205 4.340 -0.000 0.000 0.199 487 Q C 0.862 176.743 176.000 -0.198 0.000 0.957 487 Q CA 1.144 56.737 55.803 -0.350 0.000 0.857 487 Q CB 0.308 28.784 28.738 -0.437 0.000 0.929 487 Q HN 0.477 nan 8.270 nan 0.000 0.453 488 D N -0.272 120.013 120.400 -0.191 0.000 2.369 488 D HA 0.003 4.643 4.640 -0.000 0.000 0.211 488 D C 0.238 176.497 176.300 -0.070 0.000 1.077 488 D CA 0.117 54.083 54.000 -0.057 0.000 0.842 488 D CB 0.399 41.282 40.800 0.138 0.000 0.947 488 D HN 0.072 nan 8.370 nan 0.000 0.509 489 S N -0.389 115.159 115.700 -0.252 0.000 2.632 489 S HA 0.632 5.101 4.470 -0.000 0.000 0.271 489 S C 0.810 175.387 174.600 -0.038 0.000 1.260 489 S CA -0.718 57.407 58.200 -0.126 0.000 1.010 489 S CB 1.757 64.772 63.200 -0.307 0.000 0.965 489 S HN 0.054 nan 8.310 nan 0.000 0.534 490 G N 0.132 108.948 108.800 0.027 0.000 2.599 490 G HA2 0.396 4.356 3.960 -0.000 0.000 0.264 490 G HA3 0.396 4.356 3.960 -0.000 0.000 0.264 490 G C 0.586 175.487 174.900 0.001 0.000 1.200 490 G CA -0.997 44.112 45.100 0.015 0.000 0.896 490 G HN 0.848 nan 8.290 nan 0.000 0.536 491 L N -1.190 120.035 121.223 0.003 0.000 2.574 491 L HA -0.079 4.261 4.340 -0.000 0.000 0.230 491 L C 1.044 177.920 176.870 0.011 0.000 1.160 491 L CA 1.137 55.980 54.840 0.004 0.000 0.807 491 L CB -0.024 42.040 42.059 0.009 0.000 0.931 491 L HN 0.551 nan 8.230 nan 0.000 0.450 492 E N -1.227 118.983 120.200 0.016 0.000 2.260 492 E HA 0.510 4.860 4.350 -0.000 0.000 0.266 492 E C -1.483 175.138 176.600 0.035 0.000 0.887 492 E CA -0.323 56.092 56.400 0.025 0.000 0.777 492 E CB 2.149 31.863 29.700 0.022 0.000 1.205 492 E HN -0.197 nan 8.360 nan 0.000 0.414 493 V N 3.967 123.906 119.914 0.042 0.000 3.048 493 V HA 0.518 4.638 4.120 -0.000 0.000 0.303 493 V C -1.725 174.421 176.094 0.086 0.000 1.214 493 V CA -0.761 61.575 62.300 0.060 0.000 0.984 493 V CB 2.584 34.411 31.823 0.006 0.000 1.054 493 V HN 0.738 nan 8.190 nan 0.000 0.430 494 N N 4.417 123.183 118.700 0.110 0.000 2.407 494 N HA 0.709 5.449 4.740 -0.000 0.000 0.277 494 N C -1.146 174.411 175.510 0.079 0.000 0.995 494 N CA -0.250 52.880 53.050 0.135 0.000 0.903 494 N CB 1.585 40.141 38.487 0.115 0.000 1.218 494 N HN 0.574 nan 8.380 nan 0.000 0.487 495 I N 1.261 121.852 120.570 0.035 0.000 2.509 495 I HA 0.486 4.656 4.170 -0.000 0.000 0.293 495 I C -0.657 175.418 176.117 -0.069 0.000 1.020 495 I CA -1.162 60.127 61.300 -0.018 0.000 1.088 495 I CB 2.030 40.013 38.000 -0.029 0.000 1.267 495 I HN -0.006 nan 8.210 nan 0.000 0.430 496 V N 4.457 124.306 119.914 -0.110 0.000 2.407 496 V HA 0.415 4.535 4.120 -0.000 0.000 0.291 496 V C -0.076 176.010 176.094 -0.014 0.000 1.018 496 V CA -0.299 61.936 62.300 -0.108 0.000 0.842 496 V CB 1.925 33.590 31.823 -0.263 0.000 0.996 496 V HN 0.858 nan 8.190 nan 0.000 0.426 497 T N 1.583 116.142 114.554 0.009 0.000 2.918 497 T HA 0.361 4.711 4.350 -0.000 0.000 0.286 497 T C 0.451 175.143 174.700 -0.012 0.000 1.026 497 T CA -0.523 61.609 62.100 0.053 0.000 1.031 497 T CB 1.856 70.794 68.868 0.116 0.000 1.046 497 T HN 0.774 nan 8.240 nan 0.000 0.479 498 D N -0.347 120.060 120.400 0.011 0.000 2.363 498 D HA 0.005 4.645 4.640 -0.000 0.000 0.214 498 D C 0.350 176.755 176.300 0.174 0.000 1.093 498 D CA -0.366 53.589 54.000 -0.074 0.000 0.837 498 D CB 0.066 40.822 40.800 -0.074 0.000 0.948 498 D HN 0.435 nan 8.370 nan 0.000 0.507 499 S N -0.344 115.534 115.700 0.296 0.000 2.594 499 S HA 0.254 4.724 4.470 -0.000 0.000 0.322 499 S C 0.847 175.652 174.600 0.340 0.000 1.085 499 S CA -0.646 57.757 58.200 0.337 0.000 1.116 499 S CB 1.835 65.183 63.200 0.247 0.000 0.979 499 S HN -0.039 nan 8.310 nan 0.000 0.465 500 Q N 1.815 121.752 119.800 0.228 0.000 2.152 500 Q HA -0.181 4.159 4.340 -0.000 0.000 0.206 500 Q C 1.325 177.325 176.000 0.001 0.000 0.985 500 Q CA 2.223 57.951 55.803 -0.124 0.000 0.863 500 Q CB -0.388 28.158 28.738 -0.319 0.000 0.904 500 Q HN 0.974 nan 8.270 nan 0.000 0.422 501 Y N 0.654 120.954 120.300 0.001 0.000 2.070 501 Y HA -0.319 4.231 4.550 -0.000 0.000 0.280 501 Y C 2.173 178.090 175.900 0.028 0.000 1.148 501 Y CA 1.731 59.842 58.100 0.018 0.000 1.125 501 Y CB -0.735 37.749 38.460 0.040 0.000 0.975 501 Y HN 0.077 nan 8.280 nan 0.000 0.492 502 A N 0.632 123.379 122.820 -0.122 0.000 1.883 502 A HA -0.183 4.137 4.320 -0.000 0.000 0.217 502 A C 2.197 179.685 177.584 -0.160 0.000 1.186 502 A CA 1.809 53.720 52.037 -0.210 0.000 0.624 502 A CB -1.415 17.608 19.000 0.038 0.000 0.822 502 A HN 0.608 nan 8.150 nan 0.000 0.444 503 L N -0.098 121.100 121.223 -0.041 0.000 1.915 503 L HA -0.056 4.284 4.340 -0.000 0.000 0.225 503 L C 2.477 179.296 176.870 -0.084 0.000 1.084 503 L CA 2.810 57.633 54.840 -0.027 0.000 0.788 503 L CB -1.500 40.569 42.059 0.018 0.000 0.892 503 L HN 0.387 nan 8.230 nan 0.000 0.434 504 G N 0.084 108.824 108.800 -0.100 0.000 2.816 504 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.229 504 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.229 504 G C 1.639 176.499 174.900 -0.067 0.000 1.158 504 G CA 1.995 47.046 45.100 -0.080 0.000 0.761 504 G HN 0.597 nan 8.290 nan 0.000 0.636 505 I N 0.526 120.979 120.570 -0.194 0.000 2.068 505 I HA -0.262 3.908 4.170 -0.000 0.000 0.238 505 I C 2.845 178.912 176.117 -0.083 0.000 1.046 505 I CA 1.660 62.834 61.300 -0.209 0.000 1.306 505 I CB -0.390 37.321 38.000 -0.482 0.000 1.023 505 I HN 0.238 nan 8.210 nan 0.000 0.399 506 I N -0.012 120.509 120.570 -0.082 0.000 2.127 506 I HA -0.352 3.818 4.170 -0.000 0.000 0.241 506 I C 2.639 178.824 176.117 0.114 0.000 1.075 506 I CA 1.394 62.713 61.300 0.031 0.000 1.334 506 I CB -0.629 37.377 38.000 0.010 0.000 1.040 506 I HN 0.387 nan 8.210 nan 0.000 0.405 507 Q N 0.362 120.200 119.800 0.063 0.000 2.290 507 Q HA -0.287 4.053 4.340 -0.000 0.000 0.211 507 Q C 2.289 178.368 176.000 0.133 0.000 0.991 507 Q CA 1.960 57.812 55.803 0.081 0.000 0.893 507 Q CB -0.323 28.438 28.738 0.038 0.000 0.913 507 Q HN 0.647 nan 8.270 nan 0.000 0.428 508 A N -0.032 122.882 122.820 0.156 0.000 1.897 508 A HA -0.160 4.160 4.320 -0.000 0.000 0.215 508 A C 0.884 178.585 177.584 0.195 0.000 1.181 508 A CA 1.354 53.524 52.037 0.222 0.000 0.620 508 A CB 0.048 19.186 19.000 0.231 0.000 0.821 508 A HN 0.466 nan 8.150 nan 0.000 0.443 509 Q N -2.682 117.225 119.800 0.179 0.000 2.416 509 Q HA -0.082 4.258 4.340 -0.000 0.000 0.281 509 Q C -2.599 173.511 176.000 0.183 0.000 1.028 509 Q CA 0.204 56.061 55.803 0.090 0.000 0.950 509 Q CB -1.968 26.692 28.738 -0.130 0.000 1.191 509 Q HN 0.448 nan 8.270 nan 0.000 0.546 510 P HA -0.034 nan 4.420 nan 0.000 0.268 510 P C 0.189 177.630 177.300 0.234 0.000 1.204 510 P CA 0.368 63.589 63.100 0.202 0.000 0.768 510 P CB 0.489 32.292 31.700 0.171 0.000 0.842 511 D N 3.200 123.697 120.400 0.162 0.000 2.388 511 D HA -0.008 4.632 4.640 -0.000 0.000 0.208 511 D C -0.055 176.217 176.300 -0.046 0.000 1.035 511 D CA 0.585 54.629 54.000 0.074 0.000 0.875 511 D CB 0.559 41.370 40.800 0.019 0.000 0.984 511 D HN 0.409 nan 8.370 nan 0.000 0.508 512 K N -0.704 119.703 120.400 0.010 0.000 2.409 512 K HA 0.684 5.004 4.320 -0.000 0.000 0.252 512 K C -0.929 175.698 176.600 0.045 0.000 1.036 512 K CA -1.022 55.259 56.287 -0.010 0.000 0.871 512 K CB 2.461 34.954 32.500 -0.011 0.000 1.374 512 K HN -0.049 nan 8.250 nan 0.000 0.459 513 S N -0.444 115.279 115.700 0.037 0.000 2.683 513 S HA 0.104 4.574 4.470 -0.000 0.000 0.278 513 S C -1.593 173.041 174.600 0.056 0.000 1.059 513 S CA -0.656 57.594 58.200 0.084 0.000 0.847 513 S CB 1.208 64.486 63.200 0.129 0.000 1.078 513 S HN 0.664 nan 8.310 nan 0.000 0.456 514 E N 1.474 121.717 120.200 0.071 0.000 2.304 514 E HA 0.294 4.644 4.350 -0.000 0.000 0.212 514 E C -0.332 176.301 176.600 0.055 0.000 1.185 514 E CA 0.012 56.437 56.400 0.042 0.000 1.326 514 E CB 0.815 30.531 29.700 0.027 0.000 1.283 514 E HN 0.272 nan 8.360 nan 0.000 0.440 515 S N 0.735 116.473 115.700 0.063 0.000 2.279 515 S HA 0.129 4.599 4.470 -0.000 0.000 0.176 515 S C 0.560 175.155 174.600 -0.009 0.000 1.554 515 S CA -0.669 57.562 58.200 0.052 0.000 1.242 515 S CB 0.066 63.336 63.200 0.118 0.000 1.163 515 S HN 0.134 nan 8.310 nan 0.000 0.449 516 E N 2.256 122.439 120.200 -0.028 0.000 2.257 516 E HA -0.297 4.053 4.350 -0.000 0.000 0.229 516 E C 1.526 178.053 176.600 -0.121 0.000 1.089 516 E CA 2.084 58.445 56.400 -0.065 0.000 0.947 516 E CB -0.635 29.029 29.700 -0.060 0.000 0.808 516 E HN 0.573 nan 8.360 nan 0.000 0.471 517 L N 0.488 121.633 121.223 -0.130 0.000 1.976 517 L HA -0.123 4.217 4.340 -0.000 0.000 0.209 517 L C 2.321 179.062 176.870 -0.216 0.000 1.071 517 L CA 1.609 56.319 54.840 -0.218 0.000 0.746 517 L CB -0.484 41.489 42.059 -0.142 0.000 0.890 517 L HN 0.157 nan 8.230 nan 0.000 0.432 518 V N 0.908 120.747 119.914 -0.125 0.000 2.688 518 V HA -0.277 3.843 4.120 -0.000 0.000 0.256 518 V C 2.162 178.186 176.094 -0.117 0.000 1.084 518 V CA 1.794 64.019 62.300 -0.125 0.000 1.103 518 V CB -1.155 30.593 31.823 -0.125 0.000 0.688 518 V HN 0.560 nan 8.190 nan 0.000 0.480 519 N N -0.487 118.145 118.700 -0.114 0.000 2.290 519 N HA -0.083 4.657 4.740 -0.000 0.000 0.179 519 N C 1.890 177.320 175.510 -0.132 0.000 1.016 519 N CA 0.652 53.638 53.050 -0.106 0.000 0.871 519 N CB -0.187 38.247 38.487 -0.089 0.000 0.987 519 N HN 0.487 nan 8.380 nan 0.000 0.431 520 Q N 1.024 120.696 119.800 -0.212 0.000 2.096 520 Q HA -0.035 4.305 4.340 -0.000 0.000 0.204 520 Q C 2.223 178.156 176.000 -0.112 0.000 0.982 520 Q CA 0.882 56.502 55.803 -0.305 0.000 0.850 520 Q CB -0.124 28.115 28.738 -0.832 0.000 0.901 520 Q HN 0.452 nan 8.270 nan 0.000 0.422 521 I N 0.304 120.797 120.570 -0.130 0.000 2.162 521 I HA -0.266 3.904 4.170 -0.000 0.000 0.238 521 I C 2.354 178.422 176.117 -0.081 0.000 1.076 521 I CA 0.796 62.115 61.300 0.030 0.000 1.353 521 I CB -0.335 37.651 38.000 -0.023 0.000 1.063 521 I HN 0.115 nan 8.210 nan 0.000 0.408 522 I N 0.738 121.218 120.570 -0.150 0.000 2.145 522 I HA -0.367 3.803 4.170 -0.000 0.000 0.244 522 I C 2.420 178.422 176.117 -0.191 0.000 1.075 522 I CA 1.710 62.866 61.300 -0.240 0.000 1.332 522 I CB -0.552 37.366 38.000 -0.137 0.000 1.033 522 I HN 0.299 nan 8.210 nan 0.000 0.410 523 E N 0.060 120.198 120.200 -0.104 0.000 2.160 523 E HA -0.277 4.073 4.350 -0.000 0.000 0.195 523 E C 2.210 178.793 176.600 -0.029 0.000 0.991 523 E CA 1.127 57.492 56.400 -0.059 0.000 0.810 523 E CB -0.015 29.665 29.700 -0.034 0.000 0.742 523 E HN 0.550 nan 8.360 nan 0.000 0.466 524 Q N -0.278 119.512 119.800 -0.018 0.000 2.250 524 Q HA 0.010 4.350 4.340 -0.000 0.000 0.200 524 Q C 2.225 178.181 176.000 -0.073 0.000 0.941 524 Q CA 0.180 55.969 55.803 -0.022 0.000 0.872 524 Q CB 0.290 29.029 28.738 0.003 0.000 0.965 524 Q HN 0.289 nan 8.270 nan 0.000 0.480 525 L N 0.372 121.498 121.223 -0.162 0.000 2.012 525 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 525 L C 2.270 179.090 176.870 -0.084 0.000 1.073 525 L CA 1.142 55.854 54.840 -0.213 0.000 0.748 525 L CB -0.513 41.183 42.059 -0.606 0.000 0.891 525 L HN 0.274 nan 8.230 nan 0.000 0.431 526 I N -0.211 120.325 120.570 -0.057 0.000 2.194 526 I HA -0.300 3.870 4.170 -0.000 0.000 0.246 526 I C 2.579 178.752 176.117 0.094 0.000 1.093 526 I CA 1.250 62.618 61.300 0.113 0.000 1.355 526 I CB -0.289 37.815 38.000 0.173 0.000 1.046 526 I HN 0.244 nan 8.210 nan 0.000 0.413 527 K N 0.803 121.231 120.400 0.046 0.000 2.211 527 K HA -0.030 4.290 4.320 -0.000 0.000 0.203 527 K C 0.776 177.394 176.600 0.030 0.000 1.050 527 K CA 0.660 56.971 56.287 0.039 0.000 0.945 527 K CB -0.227 32.285 32.500 0.019 0.000 0.732 527 K HN 0.184 nan 8.250 nan 0.000 0.451 528 K N 1.083 121.495 120.400 0.020 0.000 2.336 528 K HA -0.037 4.283 4.320 -0.000 0.000 0.262 528 K C 1.273 177.897 176.600 0.040 0.000 0.992 528 K CA 0.276 56.574 56.287 0.018 0.000 0.927 528 K CB 0.663 33.167 32.500 0.007 0.000 0.956 528 K HN 0.127 nan 8.250 nan 0.000 0.495 529 E N 1.160 121.381 120.200 0.034 0.000 2.079 529 E HA -0.020 4.330 4.350 -0.000 0.000 0.191 529 E C -0.472 176.157 176.600 0.048 0.000 0.961 529 E CA 0.879 57.302 56.400 0.038 0.000 0.823 529 E CB 0.474 30.191 29.700 0.027 0.000 0.789 529 E HN 0.325 nan 8.360 nan 0.000 0.459 530 K N 0.592 121.021 120.400 0.048 0.000 2.535 530 K HA 0.385 4.705 4.320 -0.000 0.000 0.250 530 K C -1.633 175.012 176.600 0.074 0.000 0.948 530 K CA -0.537 55.788 56.287 0.063 0.000 0.796 530 K CB 2.922 35.453 32.500 0.051 0.000 1.216 530 K HN -0.130 nan 8.250 nan 0.000 0.432 531 V N 2.836 122.811 119.914 0.101 0.000 2.540 531 V HA 0.383 4.503 4.120 -0.000 0.000 0.302 531 V C -1.331 174.865 176.094 0.170 0.000 1.035 531 V CA -0.936 61.426 62.300 0.104 0.000 0.873 531 V CB 1.393 33.258 31.823 0.071 0.000 0.992 531 V HN 0.743 nan 8.190 nan 0.000 0.428 532 Y N 5.336 125.648 120.300 0.020 0.000 2.332 532 Y HA 0.735 5.285 4.550 -0.000 0.000 0.326 532 Y C -1.095 174.815 175.900 0.016 0.000 0.978 532 Y CA -0.770 57.343 58.100 0.023 0.000 1.205 532 Y CB 1.642 40.110 38.460 0.013 0.000 1.131 532 Y HN 0.645 nan 8.280 nan 0.000 0.462 533 L N 5.900 126.889 121.223 -0.390 0.000 2.317 533 L HA 0.957 5.297 4.340 -0.000 0.000 0.281 533 L C -1.119 175.426 176.870 -0.541 0.000 1.024 533 L CA -0.314 54.346 54.840 -0.301 0.000 0.810 533 L CB 1.446 43.422 42.059 -0.137 0.000 1.240 533 L HN 0.723 nan 8.230 nan 0.000 0.427 534 A N 3.823 126.448 122.820 -0.325 0.000 2.539 534 A HA 0.636 4.956 4.320 -0.000 0.000 0.296 534 A C -2.289 175.312 177.584 0.029 0.000 1.073 534 A CA -0.549 51.359 52.037 -0.214 0.000 0.700 534 A CB 0.853 19.743 19.000 -0.183 0.000 1.296 534 A HN 0.794 nan 8.150 nan 0.000 0.405 535 W N 2.032 123.286 121.300 -0.076 0.000 2.529 535 W HA 0.653 5.313 4.660 -0.000 0.000 0.321 535 W C -1.640 174.882 176.519 0.004 0.000 1.047 535 W CA -0.416 56.911 57.345 -0.030 0.000 1.216 535 W CB 1.631 31.071 29.460 -0.034 0.000 1.357 535 W HN 0.549 nan 8.180 nan 0.000 0.489 536 V N 7.682 126.912 119.914 -1.140 0.000 2.735 536 V HA 0.426 4.546 4.120 -0.000 0.000 0.310 536 V C -1.970 173.170 176.094 -1.590 0.000 1.061 536 V CA -2.362 59.259 62.300 -1.132 0.000 0.913 536 V CB 2.148 33.707 31.823 -0.440 0.000 1.005 536 V HN 0.468 nan 8.190 nan 0.000 0.428 537 P HA 0.044 nan 4.420 nan 0.000 0.266 537 P C 0.310 177.412 177.300 -0.330 0.000 1.186 537 P CA 0.599 63.359 63.100 -0.566 0.000 0.767 537 P CB 0.624 32.187 31.700 -0.227 0.000 0.820 538 A N 3.797 126.505 122.820 -0.187 0.000 1.836 538 A HA -0.202 4.118 4.320 -0.000 0.000 0.212 538 A C 1.823 179.225 177.584 -0.304 0.000 1.243 538 A CA 1.560 53.414 52.037 -0.306 0.000 0.620 538 A CB -1.596 17.113 19.000 -0.484 0.000 0.889 538 A HN 0.646 nan 8.150 nan 0.000 0.463 539 H N 0.328 119.407 119.070 0.015 0.000 2.300 539 H HA -0.025 4.531 4.556 -0.000 0.000 0.312 539 H C 2.185 177.510 175.328 -0.004 0.000 1.057 539 H CA 1.639 57.691 56.048 0.007 0.000 1.380 539 H CB -0.639 29.133 29.762 0.017 0.000 1.424 539 H HN 0.707 nan 8.280 nan 0.000 0.534 540 K N 1.366 121.839 120.400 0.122 0.000 2.002 540 K HA -0.016 4.304 4.320 -0.000 0.000 0.209 540 K C 1.379 177.988 176.600 0.014 0.000 1.048 540 K CA 1.135 57.458 56.287 0.060 0.000 0.930 540 K CB -0.627 31.906 32.500 0.054 0.000 0.714 540 K HN 0.097 nan 8.250 nan 0.000 0.438 541 G N 2.294 111.085 108.800 -0.015 0.000 2.346 541 G HA2 0.272 4.232 3.960 -0.000 0.000 0.275 541 G HA3 0.272 4.232 3.960 -0.000 0.000 0.275 541 G C -0.603 174.248 174.900 -0.082 0.000 1.190 541 G CA -0.356 44.703 45.100 -0.069 0.000 1.015 541 G HN 0.477 nan 8.290 nan 0.000 0.441 542 I N 3.753 124.285 120.570 -0.063 0.000 2.917 542 I HA 0.315 4.485 4.170 -0.000 0.000 0.292 542 I C 1.123 177.198 176.117 -0.069 0.000 1.510 542 I CA -0.599 60.667 61.300 -0.058 0.000 0.858 542 I CB 0.191 38.175 38.000 -0.026 0.000 1.862 542 I HN 0.572 nan 8.210 nan 0.000 0.615 543 G N 2.714 111.471 108.800 -0.072 0.000 2.645 543 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.179 543 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.179 543 G C 1.136 175.939 174.900 -0.162 0.000 1.515 543 G CA 0.732 45.795 45.100 -0.063 0.000 0.852 543 G HN 0.592 nan 8.290 nan 0.000 0.481 544 G N -0.143 108.477 108.800 -0.300 0.000 2.776 544 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.209 544 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.209 544 G C 1.462 176.100 174.900 -0.436 0.000 1.145 544 G CA 0.596 45.145 45.100 -0.919 0.000 0.791 544 G HN 0.357 nan 8.290 nan 0.000 0.530 545 N N 0.853 119.465 118.700 -0.146 0.000 2.244 545 N HA -0.076 4.664 4.740 -0.000 0.000 0.183 545 N C 1.964 177.443 175.510 -0.051 0.000 1.016 545 N CA 0.880 53.903 53.050 -0.044 0.000 0.866 545 N CB -0.165 38.309 38.487 -0.023 0.000 0.980 545 N HN 0.351 nan 8.380 nan 0.000 0.430 546 E N 0.472 120.623 120.200 -0.081 0.000 2.253 546 E HA -0.213 4.137 4.350 -0.000 0.000 0.202 546 E C 1.598 178.169 176.600 -0.047 0.000 1.014 546 E CA 1.360 57.726 56.400 -0.057 0.000 0.823 546 E CB 0.018 29.675 29.700 -0.072 0.000 0.736 546 E HN 0.300 nan 8.360 nan 0.000 0.478 547 Q N -0.951 118.807 119.800 -0.070 0.000 2.226 547 Q HA 0.006 4.346 4.340 -0.000 0.000 0.199 547 Q C 2.270 178.273 176.000 0.005 0.000 0.945 547 Q CA 1.302 57.081 55.803 -0.041 0.000 0.861 547 Q CB 0.264 28.960 28.738 -0.069 0.000 0.953 547 Q HN 0.368 nan 8.270 nan 0.000 0.490 548 V N 0.785 120.714 119.914 0.026 0.000 2.273 548 V HA -0.170 3.950 4.120 -0.000 0.000 0.242 548 V C 1.646 177.775 176.094 0.058 0.000 1.035 548 V CA 1.790 64.132 62.300 0.070 0.000 1.013 548 V CB -0.978 30.919 31.823 0.123 0.000 0.652 548 V HN 0.103 nan 8.190 nan 0.000 0.452 549 D N 0.476 120.908 120.400 0.053 0.000 2.203 549 D HA -0.211 4.429 4.640 -0.000 0.000 0.199 549 D C 1.843 178.175 176.300 0.052 0.000 0.997 549 D CA 1.914 55.953 54.000 0.064 0.000 0.863 549 D CB -0.245 40.599 40.800 0.074 0.000 0.928 549 D HN 0.484 nan 8.370 nan 0.000 0.458 550 K N 0.735 121.155 120.400 0.034 0.000 1.995 550 K HA -0.003 4.317 4.320 -0.000 0.000 0.217 550 K C 2.124 178.737 176.600 0.023 0.000 1.030 550 K CA 0.701 57.002 56.287 0.023 0.000 0.971 550 K CB -0.778 31.729 32.500 0.011 0.000 0.775 550 K HN 0.042 nan 8.250 nan 0.000 0.446 551 L N 0.599 121.834 121.223 0.019 0.000 2.082 551 L HA -0.231 4.108 4.340 -0.000 0.000 0.223 551 L C 1.309 178.190 176.870 0.018 0.000 1.086 551 L CA 1.187 56.037 54.840 0.016 0.000 0.793 551 L CB -1.233 40.836 42.059 0.016 0.000 0.896 551 L HN 0.033 nan 8.230 nan 0.000 0.441 552 V N 0.000 119.931 119.914 0.028 0.000 2.409 552 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 552 V CA 0.000 62.319 62.300 0.032 0.000 1.235 552 V CB 0.000 31.850 31.823 0.045 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556