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 1s9e_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 0.000 177.340 177.300 0.067 0.000 1.155 1 P CA 0.000 63.123 63.100 0.038 0.000 0.800 1 P CB 0.000 31.712 31.700 0.020 0.000 0.726 2 I N 0.522 121.130 120.570 0.064 0.000 2.730 2 I HA 0.532 4.702 4.170 -0.000 0.000 0.298 2 I C -0.399 175.763 176.117 0.075 0.000 1.089 2 I CA -0.646 60.705 61.300 0.085 0.000 1.041 2 I CB 2.424 40.474 38.000 0.083 0.000 1.235 2 I HN -0.002 nan 8.210 nan 0.000 0.423 3 S N 4.193 119.954 115.700 0.102 0.000 2.726 3 S HA 0.597 5.067 4.470 -0.000 0.000 0.308 3 S C -2.369 172.291 174.600 0.100 0.000 1.115 3 S CA -1.250 57.011 58.200 0.102 0.000 0.965 3 S CB 1.734 65.048 63.200 0.191 0.000 1.145 3 S HN 0.540 nan 8.310 nan 0.000 0.532 4 P HA 0.335 nan 4.420 nan 0.000 0.244 4 P C -0.392 177.022 177.300 0.189 0.000 1.632 4 P CA -0.161 62.977 63.100 0.062 0.000 0.944 4 P CB -0.353 31.310 31.700 -0.061 0.000 1.569 5 I N 0.199 120.922 120.570 0.255 0.000 2.836 5 I HA 0.057 4.227 4.170 -0.000 0.000 0.285 5 I C 1.193 177.413 176.117 0.171 0.000 1.174 5 I CA -0.214 61.252 61.300 0.276 0.000 1.405 5 I CB 0.487 38.612 38.000 0.208 0.000 1.385 5 I HN 0.040 nan 8.210 nan 0.000 0.594 6 E N 3.296 123.580 120.200 0.141 0.000 2.349 6 E HA 0.158 4.508 4.350 -0.000 0.000 0.265 6 E C -0.449 176.203 176.600 0.086 0.000 1.064 6 E CA -0.607 55.854 56.400 0.102 0.000 0.886 6 E CB 0.991 30.742 29.700 0.086 0.000 1.036 6 E HN 0.660 nan 8.360 nan 0.000 0.413 7 T N -0.128 114.476 114.554 0.083 0.000 2.909 7 T HA 0.356 4.706 4.350 -0.000 0.000 0.286 7 T C -0.153 174.595 174.700 0.079 0.000 1.002 7 T CA -0.956 61.193 62.100 0.082 0.000 1.074 7 T CB 1.247 70.168 68.868 0.088 0.000 0.984 7 T HN 0.175 nan 8.240 nan 0.000 0.495 8 V N 5.758 125.722 119.914 0.084 0.000 2.432 8 V HA 0.344 4.464 4.120 -0.000 0.000 0.271 8 V C -1.593 174.569 176.094 0.113 0.000 1.046 8 V CA -1.696 60.659 62.300 0.093 0.000 0.945 8 V CB 0.630 32.515 31.823 0.103 0.000 0.992 8 V HN 0.865 nan 8.190 nan 0.000 0.471 9 P HA 0.214 nan 4.420 nan 0.000 0.271 9 P C -0.729 176.648 177.300 0.129 0.000 1.216 9 P CA 0.212 63.381 63.100 0.115 0.000 0.771 9 P CB 1.517 33.272 31.700 0.091 0.000 0.864 10 V N 3.570 123.576 119.914 0.152 0.000 3.158 10 V HA 0.605 4.725 4.120 -0.000 0.000 0.315 10 V C 0.276 176.491 176.094 0.202 0.000 1.148 10 V CA -0.692 61.681 62.300 0.121 0.000 1.042 10 V CB 2.085 33.877 31.823 -0.051 0.000 1.101 10 V HN 0.555 nan 8.190 nan 0.000 0.448 11 K N 0.836 121.332 120.400 0.160 0.000 2.551 11 K HA 0.610 4.930 4.320 -0.000 0.000 0.269 11 K C -1.846 174.873 176.600 0.198 0.000 0.949 11 K CA -0.759 55.647 56.287 0.199 0.000 0.849 11 K CB 2.626 35.163 32.500 0.061 0.000 1.411 11 K HN 0.387 nan 8.250 nan 0.000 0.432 12 L N 2.133 123.419 121.223 0.104 0.000 2.357 12 L HA 0.372 4.712 4.340 -0.000 0.000 0.273 12 L C 0.081 176.937 176.870 -0.023 0.000 1.080 12 L CA -0.709 54.132 54.840 0.001 0.000 0.803 12 L CB 0.946 42.878 42.059 -0.213 0.000 1.174 12 L HN 0.381 nan 8.230 nan 0.000 0.443 13 K N 3.499 123.880 120.400 -0.033 0.000 2.550 13 K HA -0.056 4.264 4.320 -0.000 0.000 0.280 13 K C -1.459 175.126 176.600 -0.025 0.000 0.987 13 K CA -0.899 55.367 56.287 -0.036 0.000 1.048 13 K CB 0.019 32.499 32.500 -0.033 0.000 0.879 13 K HN 0.363 nan 8.250 nan 0.000 0.491 14 P HA -0.346 nan 4.420 nan 0.000 0.229 14 P C 1.133 178.434 177.300 0.002 0.000 1.073 14 P CA 2.361 65.457 63.100 -0.007 0.000 1.022 14 P CB -0.052 31.643 31.700 -0.008 0.000 0.752 15 G N -1.773 107.028 108.800 0.002 0.000 2.459 15 G HA2 0.046 4.006 3.960 -0.000 0.000 0.213 15 G HA3 0.046 4.006 3.960 -0.000 0.000 0.213 15 G C 0.910 175.819 174.900 0.014 0.000 1.155 15 G CA 0.230 45.337 45.100 0.011 0.000 0.811 15 G HN 0.191 nan 8.290 nan 0.000 0.534 16 M N 0.260 119.862 119.600 0.002 0.000 1.896 16 M HA 0.251 4.731 4.480 -0.000 0.000 0.195 16 M C -0.074 176.220 176.300 -0.010 0.000 1.281 16 M CA 0.732 56.031 55.300 -0.002 0.000 0.880 16 M CB 0.023 32.612 32.600 -0.019 0.000 1.181 16 M HN 0.145 nan 8.290 nan 0.000 0.349 17 D N -1.647 118.740 120.400 -0.022 0.000 2.671 17 D HA 0.405 5.045 4.640 -0.000 0.000 0.273 17 D C -0.746 175.486 176.300 -0.114 0.000 1.264 17 D CA 0.012 53.995 54.000 -0.028 0.000 0.788 17 D CB 0.993 41.867 40.800 0.123 0.000 1.324 17 D HN 0.754 nan 8.370 nan 0.000 0.424 18 G N 0.842 109.450 108.800 -0.321 0.000 2.460 18 G HA2 0.282 4.242 3.960 -0.000 0.000 0.230 18 G HA3 0.282 4.242 3.960 -0.000 0.000 0.230 18 G C -2.273 172.655 174.900 0.047 0.000 1.248 18 G CA -0.560 44.233 45.100 -0.513 0.000 0.863 18 G HN 0.362 nan 8.290 nan 0.000 0.549 19 P HA 0.242 nan 4.420 nan 0.000 0.276 19 P C -0.486 176.986 177.300 0.286 0.000 1.243 19 P CA -0.024 63.202 63.100 0.210 0.000 0.768 19 P CB 0.760 32.583 31.700 0.206 0.000 0.856 20 K N 2.395 122.923 120.400 0.214 0.000 2.602 20 K HA 0.339 4.659 4.320 -0.000 0.000 0.201 20 K C -0.364 176.281 176.600 0.075 0.000 1.070 20 K CA -0.624 55.761 56.287 0.164 0.000 1.026 20 K CB 0.706 33.296 32.500 0.150 0.000 1.534 20 K HN 0.287 nan 8.250 nan 0.000 0.560 21 V N -1.086 118.853 119.914 0.042 0.000 2.581 21 V HA 0.590 4.710 4.120 -0.000 0.000 0.303 21 V C -0.566 175.420 176.094 -0.180 0.000 1.041 21 V CA -0.827 61.444 62.300 -0.047 0.000 0.907 21 V CB 1.677 33.492 31.823 -0.014 0.000 0.994 21 V HN 0.278 nan 8.190 nan 0.000 0.442 22 K N 2.381 122.546 120.400 -0.391 0.000 2.313 22 K HA 0.762 5.082 4.320 -0.000 0.000 0.235 22 K C -0.886 175.232 176.600 -0.803 0.000 1.035 22 K CA -0.670 55.106 56.287 -0.851 0.000 0.868 22 K CB 1.541 33.018 32.500 -1.705 0.000 1.232 22 K HN 0.895 nan 8.250 nan 0.000 0.459 23 Q N 0.998 120.169 119.800 -1.048 0.000 2.869 23 Q HA 0.099 4.439 4.340 -0.000 0.000 0.213 23 Q C -1.523 174.234 176.000 -0.405 0.000 0.762 23 Q CA -0.142 55.333 55.803 -0.547 0.000 1.065 23 Q CB 0.401 28.895 28.738 -0.407 0.000 1.594 23 Q HN 0.740 nan 8.270 nan 0.000 0.503 24 W N 3.843 125.107 121.300 -0.061 0.000 2.771 24 W HA 0.264 4.924 4.660 -0.000 0.000 0.412 24 W C -2.037 174.450 176.519 -0.053 0.000 0.965 24 W CA -0.870 56.443 57.345 -0.053 0.000 2.045 24 W CB 0.337 29.777 29.460 -0.034 0.000 1.176 24 W HN 0.406 nan 8.180 nan 0.000 0.634 25 P HA 0.369 nan 4.420 nan 0.000 0.274 25 P C -0.779 176.542 177.300 0.035 0.000 1.256 25 P CA 0.174 63.308 63.100 0.058 0.000 0.795 25 P CB 1.878 33.587 31.700 0.015 0.000 1.038 26 L N 0.328 121.566 121.223 0.025 0.000 2.491 26 L HA 0.276 4.616 4.340 -0.000 0.000 0.267 26 L C 0.317 177.190 176.870 0.005 0.000 0.971 26 L CA -0.015 54.832 54.840 0.012 0.000 0.857 26 L CB 1.646 43.714 42.059 0.014 0.000 1.226 26 L HN 0.192 nan 8.230 nan 0.000 0.408 27 T N 1.689 116.244 114.554 0.001 0.000 3.783 27 T HA 0.106 4.455 4.350 -0.000 0.000 0.262 27 T C 1.180 175.865 174.700 -0.026 0.000 1.381 27 T CA -0.191 61.910 62.100 0.002 0.000 1.155 27 T CB -0.425 68.458 68.868 0.026 0.000 1.256 27 T HN 0.766 nan 8.240 nan 0.000 0.807 28 E N 0.680 120.864 120.200 -0.027 0.000 2.782 28 E HA -0.437 3.913 4.350 -0.000 0.000 0.241 28 E C 1.554 178.107 176.600 -0.079 0.000 0.998 28 E CA 2.182 58.556 56.400 -0.043 0.000 1.535 28 E CB -0.542 29.138 29.700 -0.033 0.000 1.442 28 E HN 0.492 nan 8.360 nan 0.000 0.461 29 E N 1.485 121.630 120.200 -0.091 0.000 2.038 29 E HA -0.171 4.179 4.350 -0.000 0.000 0.195 29 E C 1.914 178.354 176.600 -0.266 0.000 1.000 29 E CA 2.121 58.421 56.400 -0.166 0.000 0.803 29 E CB -0.069 29.542 29.700 -0.148 0.000 0.750 29 E HN 0.399 nan 8.360 nan 0.000 0.448 30 K N -0.030 120.245 120.400 -0.209 0.000 2.026 30 K HA -0.092 4.228 4.320 -0.000 0.000 0.208 30 K C 2.147 178.648 176.600 -0.166 0.000 1.048 30 K CA 1.355 57.500 56.287 -0.237 0.000 0.929 30 K CB -0.289 32.182 32.500 -0.048 0.000 0.713 30 K HN 0.174 nan 8.250 nan 0.000 0.439 31 I N 2.129 122.644 120.570 -0.092 0.000 2.143 31 I HA -0.346 3.824 4.170 -0.000 0.000 0.245 31 I C 2.295 178.369 176.117 -0.071 0.000 1.068 31 I CA 1.645 62.913 61.300 -0.053 0.000 1.326 31 I CB -1.116 36.865 38.000 -0.032 0.000 1.028 31 I HN 0.269 nan 8.210 nan 0.000 0.412 32 K N 1.464 121.797 120.400 -0.111 0.000 2.432 32 K HA -0.001 4.319 4.320 -0.000 0.000 0.196 32 K C 1.939 178.437 176.600 -0.170 0.000 1.038 32 K CA 0.982 57.200 56.287 -0.114 0.000 0.986 32 K CB 0.206 32.636 32.500 -0.117 0.000 0.782 32 K HN 0.272 nan 8.250 nan 0.000 0.485 33 A N 1.441 124.104 122.820 -0.261 0.000 1.874 33 A HA 0.012 4.332 4.320 -0.000 0.000 0.214 33 A C 2.181 179.675 177.584 -0.150 0.000 1.189 33 A CA 0.577 52.398 52.037 -0.359 0.000 0.615 33 A CB -0.326 18.211 19.000 -0.771 0.000 0.830 33 A HN 0.244 nan 8.150 nan 0.000 0.443 34 L N -0.515 120.655 121.223 -0.088 0.000 1.988 34 L HA -0.131 4.209 4.340 -0.000 0.000 0.207 34 L C 2.521 179.390 176.870 -0.002 0.000 1.071 34 L CA 1.142 55.971 54.840 -0.018 0.000 0.744 34 L CB -0.909 41.157 42.059 0.013 0.000 0.893 34 L HN 0.207 nan 8.230 nan 0.000 0.433 35 V N 0.364 120.289 119.914 0.019 0.000 2.313 35 V HA -0.374 3.745 4.120 -0.000 0.000 0.253 35 V C 2.474 178.573 176.094 0.008 0.000 1.070 35 V CA 2.126 64.455 62.300 0.049 0.000 1.057 35 V CB -0.610 31.233 31.823 0.033 0.000 0.653 35 V HN 0.482 nan 8.190 nan 0.000 0.450 36 E N -0.488 119.696 120.200 -0.027 0.000 2.038 36 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 36 E C 2.228 178.804 176.600 -0.041 0.000 1.000 36 E CA 1.679 58.058 56.400 -0.035 0.000 0.803 36 E CB -0.200 29.471 29.700 -0.049 0.000 0.750 36 E HN 0.467 nan 8.360 nan 0.000 0.448 37 I N 1.163 121.707 120.570 -0.044 0.000 2.127 37 I HA -0.311 3.859 4.170 -0.000 0.000 0.241 37 I C 2.608 178.655 176.117 -0.117 0.000 1.075 37 I CA 1.088 62.348 61.300 -0.067 0.000 1.334 37 I CB -1.696 36.273 38.000 -0.051 0.000 1.040 37 I HN 0.278 nan 8.210 nan 0.000 0.405 38 C N 0.883 120.108 119.300 -0.126 0.000 2.413 38 C HA -0.188 4.272 4.460 -0.000 0.000 0.276 38 C C 3.130 177.980 174.990 -0.233 0.000 1.236 38 C CA 1.737 60.593 59.018 -0.270 0.000 1.735 38 C CB -1.523 26.031 27.740 -0.310 0.000 2.031 38 C HN 0.688 nan 8.230 nan 0.000 0.474 39 T N -0.420 114.077 114.554 -0.095 0.000 2.759 39 T HA -0.209 4.141 4.350 -0.000 0.000 0.269 39 T C 1.371 176.028 174.700 -0.071 0.000 1.042 39 T CA 1.974 64.043 62.100 -0.050 0.000 1.140 39 T CB -0.374 68.491 68.868 -0.006 0.000 0.864 39 T HN 0.429 nan 8.240 nan 0.000 0.455 40 E N -0.228 119.924 120.200 -0.080 0.000 2.502 40 E HA 0.332 4.682 4.350 -0.000 0.000 0.194 40 E C 1.775 178.311 176.600 -0.106 0.000 1.062 40 E CA 0.234 56.587 56.400 -0.077 0.000 0.867 40 E CB -0.176 29.484 29.700 -0.066 0.000 0.888 40 E HN 0.599 nan 8.360 nan 0.000 0.510 41 M N -1.062 118.448 119.600 -0.150 0.000 2.657 41 M HA 0.054 4.534 4.480 -0.000 0.000 0.262 41 M C 1.916 178.119 176.300 -0.161 0.000 1.213 41 M CA 0.519 55.711 55.300 -0.181 0.000 1.182 41 M CB 0.401 32.853 32.600 -0.247 0.000 1.303 41 M HN 0.012 nan 8.290 nan 0.000 0.501 42 E N 0.703 120.789 120.200 -0.189 0.000 2.107 42 E HA -0.230 4.120 4.350 -0.000 0.000 0.191 42 E C 1.842 178.407 176.600 -0.058 0.000 0.982 42 E CA 1.051 57.371 56.400 -0.133 0.000 0.809 42 E CB 0.032 29.655 29.700 -0.128 0.000 0.756 42 E HN 0.354 nan 8.360 nan 0.000 0.459 43 K N 0.789 121.155 120.400 -0.056 0.000 2.032 43 K HA -0.208 4.112 4.320 -0.000 0.000 0.209 43 K C 1.857 178.440 176.600 -0.028 0.000 1.048 43 K CA 1.866 58.134 56.287 -0.032 0.000 0.927 43 K CB -0.044 32.436 32.500 -0.033 0.000 0.712 43 K HN 0.121 nan 8.250 nan 0.000 0.441 44 E N -1.322 118.853 120.200 -0.041 0.000 2.478 44 E HA -0.057 4.292 4.350 -0.000 0.000 0.198 44 E C 0.882 177.476 176.600 -0.009 0.000 1.046 44 E CA 0.500 56.882 56.400 -0.029 0.000 0.870 44 E CB 0.117 29.788 29.700 -0.047 0.000 0.818 44 E HN 0.689 nan 8.360 nan 0.000 0.527 45 G N 1.204 109.998 108.800 -0.011 0.000 2.225 45 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.254 45 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.254 45 G C 0.925 175.851 174.900 0.043 0.000 0.988 45 G CA 0.562 45.671 45.100 0.015 0.000 0.625 45 G HN 0.260 nan 8.290 nan 0.000 0.527 46 K N 0.176 120.603 120.400 0.045 0.000 2.280 46 K HA 0.164 4.484 4.320 -0.000 0.000 0.202 46 K C 1.470 178.148 176.600 0.129 0.000 1.047 46 K CA 1.433 57.804 56.287 0.140 0.000 0.942 46 K CB -0.081 32.511 32.500 0.153 0.000 0.739 46 K HN 0.845 nan 8.250 nan 0.000 0.457 47 I N -4.940 115.623 120.570 -0.013 0.000 3.264 47 I HA 0.444 4.614 4.170 -0.000 0.000 0.315 47 I C -1.007 175.095 176.117 -0.025 0.000 1.154 47 I CA -1.078 60.179 61.300 -0.072 0.000 0.962 47 I CB 2.517 40.353 38.000 -0.273 0.000 1.265 47 I HN -0.391 nan 8.210 nan 0.000 0.463 48 S N 0.820 116.545 115.700 0.042 0.000 2.540 48 S HA 0.364 4.833 4.470 -0.000 0.000 0.275 48 S C -0.982 173.770 174.600 0.254 0.000 1.123 48 S CA -0.732 57.537 58.200 0.115 0.000 0.907 48 S CB 1.926 65.164 63.200 0.063 0.000 1.081 48 S HN 0.633 nan 8.310 nan 0.000 0.476 49 K N 3.005 123.554 120.400 0.247 0.000 2.382 49 K HA 0.266 4.586 4.320 -0.000 0.000 0.286 49 K C -0.303 176.271 176.600 -0.043 0.000 1.062 49 K CA -0.003 56.322 56.287 0.063 0.000 1.000 49 K CB 0.053 32.580 32.500 0.045 0.000 0.954 49 K HN 0.592 nan 8.250 nan 0.000 0.470 50 I N 2.953 123.447 120.570 -0.127 0.000 2.577 50 I HA 0.370 4.540 4.170 -0.000 0.000 0.300 50 I C 0.200 176.249 176.117 -0.113 0.000 0.990 50 I CA -0.285 60.953 61.300 -0.104 0.000 1.283 50 I CB 1.173 39.103 38.000 -0.117 0.000 1.411 50 I HN 0.699 nan 8.210 nan 0.000 0.515 51 G N 5.715 114.465 108.800 -0.082 0.000 2.339 51 G HA2 0.417 4.377 3.960 -0.000 0.000 0.287 51 G HA3 0.417 4.377 3.960 -0.000 0.000 0.287 51 G C -2.533 172.317 174.900 -0.084 0.000 1.163 51 G CA -1.246 43.808 45.100 -0.078 0.000 0.872 51 G HN 0.521 nan 8.290 nan 0.000 0.464 52 P HA 0.035 nan 4.420 nan 0.000 0.243 52 P C -0.439 176.811 177.300 -0.084 0.000 1.134 52 P CA 0.681 63.730 63.100 -0.085 0.000 1.109 52 P CB 0.125 31.778 31.700 -0.077 0.000 1.140 53 E N 4.269 124.411 120.200 -0.098 0.000 2.649 53 E HA 0.148 4.498 4.350 -0.000 0.000 0.310 53 E C 0.410 176.918 176.600 -0.154 0.000 1.036 53 E CA -0.404 55.934 56.400 -0.104 0.000 0.772 53 E CB -0.093 29.559 29.700 -0.080 0.000 1.513 53 E HN 0.206 nan 8.360 nan 0.000 0.384 54 N N 0.739 119.320 118.700 -0.198 0.000 2.895 54 N HA -0.170 4.570 4.740 -0.000 0.000 0.237 54 N C -2.430 172.722 175.510 -0.597 0.000 0.934 54 N CA 1.517 54.354 53.050 -0.355 0.000 0.984 54 N CB -2.711 35.582 38.487 -0.325 0.000 1.089 54 N HN 0.474 nan 8.380 nan 0.000 0.604 55 P HA 0.079 nan 4.420 nan 0.000 0.264 55 P C 0.066 177.178 177.300 -0.314 0.000 1.183 55 P CA 0.179 63.114 63.100 -0.274 0.000 0.763 55 P CB 0.062 31.713 31.700 -0.081 0.000 0.807 56 Y N 1.209 121.524 120.300 0.025 0.000 2.282 56 Y HA 0.398 4.948 4.550 -0.000 0.000 0.335 56 Y C 1.271 177.222 175.900 0.084 0.000 1.335 56 Y CA -0.179 57.965 58.100 0.074 0.000 1.529 56 Y CB 0.246 38.779 38.460 0.121 0.000 1.429 56 Y HN 0.370 nan 8.280 nan 0.000 0.563 57 N N -1.903 116.937 118.700 0.233 0.000 2.629 57 N HA 0.700 5.440 4.740 -0.000 0.000 0.279 57 N C -1.889 173.727 175.510 0.176 0.000 1.344 57 N CA -0.550 52.609 53.050 0.181 0.000 0.789 57 N CB 1.954 40.509 38.487 0.114 0.000 1.508 57 N HN 0.643 nan 8.380 nan 0.000 0.516 58 T N 0.636 115.289 114.554 0.164 0.000 2.923 58 T HA 0.459 4.809 4.350 -0.000 0.000 0.311 58 T C -2.963 171.764 174.700 0.044 0.000 1.183 58 T CA -0.969 61.191 62.100 0.101 0.000 1.020 58 T CB 1.817 70.741 68.868 0.094 0.000 1.165 58 T HN 0.321 nan 8.240 nan 0.000 0.482 59 P HA 0.285 nan 4.420 nan 0.000 0.264 59 P C -0.911 176.402 177.300 0.022 0.000 1.193 59 P CA -0.307 62.788 63.100 -0.009 0.000 0.763 59 P CB 0.286 32.116 31.700 0.217 0.000 0.810 60 V N 4.093 123.919 119.914 -0.147 0.000 2.555 60 V HA 0.583 4.703 4.120 -0.000 0.000 0.302 60 V C -0.253 175.732 176.094 -0.182 0.000 1.038 60 V CA -0.372 61.886 62.300 -0.070 0.000 0.887 60 V CB 1.074 32.844 31.823 -0.088 0.000 0.991 60 V HN 0.332 nan 8.190 nan 0.000 0.434 61 F N 1.074 121.002 119.950 -0.037 0.000 2.613 61 F HA 0.857 5.384 4.527 -0.000 0.000 0.314 61 F C 0.269 176.102 175.800 0.054 0.000 1.075 61 F CA -0.835 57.173 58.000 0.013 0.000 0.945 61 F CB 2.051 41.057 39.000 0.010 0.000 1.310 61 F HN 0.624 nan 8.300 nan 0.000 0.467 62 A N 2.232 125.246 122.820 0.322 0.000 2.337 62 A HA 0.924 5.244 4.320 -0.000 0.000 0.329 62 A C -0.975 176.817 177.584 0.347 0.000 1.146 62 A CA -0.532 51.729 52.037 0.374 0.000 0.800 62 A CB 0.733 19.970 19.000 0.395 0.000 1.220 62 A HN 0.677 nan 8.150 nan 0.000 0.472 63 I N 0.752 121.466 120.570 0.240 0.000 2.894 63 I HA 0.559 4.729 4.170 -0.000 0.000 0.302 63 I C -0.601 175.271 176.117 -0.408 0.000 1.188 63 I CA -0.691 60.587 61.300 -0.038 0.000 1.014 63 I CB 2.742 40.728 38.000 -0.023 0.000 1.242 63 I HN 0.770 nan 8.210 nan 0.000 0.430 64 K N 5.219 125.322 120.400 -0.495 0.000 2.610 64 K HA 0.271 4.591 4.320 -0.000 0.000 0.274 64 K C -1.046 175.331 176.600 -0.371 0.000 1.049 64 K CA -0.569 55.327 56.287 -0.653 0.000 0.945 64 K CB 2.016 33.690 32.500 -1.378 0.000 1.313 64 K HN 0.687 nan 8.250 nan 0.000 0.463 65 K N 2.901 123.153 120.400 -0.246 0.000 2.159 65 K HA 0.218 4.538 4.320 -0.000 0.000 0.210 65 K C -0.327 176.187 176.600 -0.144 0.000 1.026 65 K CA 0.560 56.750 56.287 -0.162 0.000 0.959 65 K CB 0.420 32.851 32.500 -0.116 0.000 0.890 65 K HN 0.527 nan 8.250 nan 0.000 0.459 66 K N 0.964 121.286 120.400 -0.130 0.000 2.435 66 K HA 0.145 4.465 4.320 -0.000 0.000 0.251 66 K C -1.569 174.971 176.600 -0.100 0.000 0.954 66 K CA -0.580 55.645 56.287 -0.103 0.000 0.820 66 K CB 1.941 34.395 32.500 -0.075 0.000 1.292 66 K HN 0.166 nan 8.250 nan 0.000 0.436 67 D N 1.457 121.809 120.400 -0.080 0.000 2.890 67 D HA -0.162 4.478 4.640 -0.000 0.000 0.226 67 D C -0.315 175.941 176.300 -0.074 0.000 1.207 67 D CA 0.982 54.945 54.000 -0.062 0.000 0.764 67 D CB -0.708 40.064 40.800 -0.046 0.000 0.948 67 D HN 0.526 nan 8.370 nan 0.000 0.404 68 S N -0.655 114.989 115.700 -0.093 0.000 2.568 68 S HA 0.456 4.926 4.470 -0.000 0.000 0.282 68 S C 1.060 175.638 174.600 -0.036 0.000 1.338 68 S CA 0.559 58.690 58.200 -0.116 0.000 1.045 68 S CB 1.849 64.957 63.200 -0.154 0.000 0.873 68 S HN 0.317 nan 8.310 nan 0.000 0.516 69 T N 2.130 116.678 114.554 -0.009 0.000 3.352 69 T HA 0.233 4.583 4.350 -0.000 0.000 0.269 69 T C -0.309 174.447 174.700 0.094 0.000 0.841 69 T CA -0.104 62.021 62.100 0.041 0.000 0.894 69 T CB 0.044 68.923 68.868 0.019 0.000 1.238 69 T HN 0.715 nan 8.240 nan 0.000 0.586 70 K N -0.717 119.725 120.400 0.070 0.000 2.430 70 K HA 0.546 4.866 4.320 -0.000 0.000 0.268 70 K C -1.374 175.306 176.600 0.133 0.000 1.043 70 K CA -0.991 55.392 56.287 0.159 0.000 0.899 70 K CB 2.323 34.879 32.500 0.092 0.000 1.472 70 K HN -0.004 nan 8.250 nan 0.000 0.451 71 W N 0.625 121.920 121.300 -0.008 0.000 3.052 71 W HA 0.505 5.165 4.660 -0.000 0.000 0.366 71 W C -0.464 176.051 176.519 -0.005 0.000 1.438 71 W CA -0.560 56.783 57.345 -0.003 0.000 1.266 71 W CB 2.000 31.459 29.460 -0.001 0.000 1.720 71 W HN 0.261 nan 8.180 nan 0.000 0.657 72 R N 2.012 122.630 120.500 0.197 0.000 2.508 72 R HA 0.115 4.455 4.340 -0.000 0.000 0.283 72 R C -0.512 175.873 176.300 0.142 0.000 1.120 72 R CA -0.748 55.421 56.100 0.115 0.000 0.958 72 R CB 2.590 32.914 30.300 0.040 0.000 1.215 72 R HN 0.306 nan 8.270 nan 0.000 0.427 73 K N 3.328 123.791 120.400 0.104 0.000 2.326 73 K HA 0.220 4.539 4.320 -0.000 0.000 0.275 73 K C -1.090 175.569 176.600 0.100 0.000 1.018 73 K CA -0.160 56.175 56.287 0.079 0.000 0.962 73 K CB 0.656 33.153 32.500 -0.005 0.000 0.953 73 K HN 0.275 nan 8.250 nan 0.000 0.475 74 L N 5.054 126.342 121.223 0.108 0.000 2.476 74 L HA 0.328 4.668 4.340 -0.000 0.000 0.269 74 L C -1.469 175.461 176.870 0.100 0.000 0.965 74 L CA -0.597 54.306 54.840 0.104 0.000 0.845 74 L CB 1.930 44.025 42.059 0.059 0.000 1.259 74 L HN 0.413 nan 8.230 nan 0.000 0.403 75 V N 2.835 122.759 119.914 0.017 0.000 2.630 75 V HA 0.472 4.592 4.120 -0.000 0.000 0.305 75 V C -0.722 175.232 176.094 -0.234 0.000 1.046 75 V CA -0.649 61.559 62.300 -0.153 0.000 0.934 75 V CB 1.991 33.572 31.823 -0.403 0.000 1.003 75 V HN 0.677 nan 8.190 nan 0.000 0.451 76 D N 1.738 122.029 120.400 -0.181 0.000 2.473 76 D HA 0.398 5.038 4.640 -0.000 0.000 0.226 76 D C 0.154 176.396 176.300 -0.096 0.000 1.089 76 D CA -0.109 53.838 54.000 -0.088 0.000 0.883 76 D CB 0.468 41.288 40.800 0.034 0.000 1.029 76 D HN 0.408 nan 8.370 nan 0.000 0.517 77 F N 1.564 121.598 119.950 0.139 0.000 2.731 77 F HA 0.167 4.694 4.527 -0.000 0.000 0.304 77 F C 2.081 177.963 175.800 0.136 0.000 1.133 77 F CA -0.261 57.842 58.000 0.171 0.000 1.380 77 F CB 0.171 39.304 39.000 0.221 0.000 1.079 77 F HN 0.204 nan 8.300 nan 0.000 0.550 78 R N 0.215 120.848 120.500 0.222 0.000 2.226 78 R HA -0.233 4.107 4.340 -0.000 0.000 0.246 78 R C 1.635 178.019 176.300 0.140 0.000 1.161 78 R CA 1.427 57.613 56.100 0.144 0.000 0.997 78 R CB -0.215 30.133 30.300 0.080 0.000 0.870 78 R HN 0.241 nan 8.270 nan 0.000 0.465 79 E N 0.060 120.361 120.200 0.168 0.000 2.307 79 E HA -0.014 4.336 4.350 -0.000 0.000 0.195 79 E C 1.472 178.177 176.600 0.175 0.000 0.975 79 E CA 0.111 56.597 56.400 0.143 0.000 0.878 79 E CB 0.120 29.894 29.700 0.123 0.000 0.845 79 E HN 0.081 nan 8.360 nan 0.000 0.488 80 L N 0.692 122.080 121.223 0.275 0.000 2.068 80 L HA -0.004 4.335 4.340 -0.000 0.000 0.204 80 L C 1.404 178.438 176.870 0.273 0.000 1.076 80 L CA 1.579 56.602 54.840 0.306 0.000 0.753 80 L CB -0.745 41.614 42.059 0.499 0.000 0.910 80 L HN 0.052 nan 8.230 nan 0.000 0.439 81 N N 0.654 119.513 118.700 0.266 0.000 2.018 81 N HA -0.274 4.466 4.740 -0.000 0.000 0.196 81 N C 1.668 177.223 175.510 0.075 0.000 1.043 81 N CA 1.607 54.737 53.050 0.133 0.000 0.856 81 N CB -0.561 37.980 38.487 0.089 0.000 1.042 81 N HN 0.380 nan 8.380 nan 0.000 0.423 82 K N 1.145 121.590 120.400 0.075 0.000 2.642 82 K HA -0.066 4.254 4.320 -0.000 0.000 0.194 82 K C 0.716 177.338 176.600 0.036 0.000 1.039 82 K CA 0.755 57.068 56.287 0.043 0.000 0.947 82 K CB 0.133 32.661 32.500 0.047 0.000 0.784 82 K HN 0.190 nan 8.250 nan 0.000 0.491 83 R N -0.235 120.297 120.500 0.053 0.000 2.521 83 R HA 0.037 4.377 4.340 -0.000 0.000 0.289 83 R C 0.023 176.341 176.300 0.030 0.000 0.936 83 R CA 0.189 56.304 56.100 0.024 0.000 1.089 83 R CB 1.133 31.435 30.300 0.003 0.000 1.348 83 R HN 0.159 nan 8.270 nan 0.000 0.536 84 T N -0.231 114.368 114.554 0.075 0.000 2.882 84 T HA 0.201 4.551 4.350 -0.000 0.000 0.287 84 T C 0.398 175.053 174.700 -0.075 0.000 0.992 84 T CA -0.879 61.277 62.100 0.093 0.000 1.076 84 T CB 1.707 70.684 68.868 0.181 0.000 0.961 84 T HN 0.157 nan 8.240 nan 0.000 0.490 85 Q N 1.893 121.595 119.800 -0.162 0.000 2.624 85 Q HA 0.070 4.410 4.340 -0.000 0.000 0.256 85 Q C -0.908 174.793 176.000 -0.499 0.000 1.119 85 Q CA -0.215 55.400 55.803 -0.315 0.000 0.995 85 Q CB 0.190 28.696 28.738 -0.387 0.000 1.318 85 Q HN 0.597 nan 8.270 nan 0.000 0.534 86 D N 0.508 120.659 120.400 -0.415 0.000 2.264 86 D HA 0.342 4.982 4.640 -0.000 0.000 0.249 86 D C -0.858 175.136 176.300 -0.511 0.000 1.070 86 D CA 0.041 53.842 54.000 -0.332 0.000 0.912 86 D CB 0.517 41.227 40.800 -0.150 0.000 1.193 86 D HN 0.334 nan 8.370 nan 0.000 0.427 87 F N -0.108 119.782 119.950 -0.101 0.000 2.556 87 F HA 0.263 4.790 4.527 -0.000 0.000 0.327 87 F C 0.501 176.327 175.800 0.044 0.000 1.059 87 F CA -1.274 56.696 58.000 -0.050 0.000 0.953 87 F CB 1.083 40.000 39.000 -0.138 0.000 1.227 87 F HN 0.266 nan 8.300 nan 0.000 0.478 88 W N 3.757 125.120 121.300 0.105 0.000 2.343 88 W HA -0.010 4.650 4.660 -0.000 0.000 0.337 88 W C 0.532 177.061 176.519 0.017 0.000 1.320 88 W CA -0.059 57.304 57.345 0.030 0.000 1.290 88 W CB 0.529 29.996 29.460 0.012 0.000 1.206 88 W HN 0.617 nan 8.180 nan 0.000 0.565 89 E N 1.619 121.218 120.200 -1.002 0.000 2.504 89 E HA -0.147 4.203 4.350 -0.000 0.000 0.266 89 E C 0.677 176.903 176.600 -0.623 0.000 1.239 89 E CA 0.302 56.222 56.400 -0.800 0.000 1.064 89 E CB 0.855 30.026 29.700 -0.882 0.000 0.996 89 E HN 0.377 nan 8.360 nan 0.000 0.479 90 V N 0.239 119.925 119.914 -0.380 0.000 2.693 90 V HA -0.110 4.010 4.120 -0.000 0.000 0.223 90 V C 0.177 176.175 176.094 -0.160 0.000 1.131 90 V CA 0.857 63.019 62.300 -0.230 0.000 1.177 90 V CB -0.170 31.555 31.823 -0.162 0.000 0.852 90 V HN 0.628 nan 8.190 nan 0.000 0.507 91 Q N 0.141 119.883 119.800 -0.097 0.000 3.122 91 Q HA 0.447 4.787 4.340 -0.000 0.000 0.282 91 Q C 0.196 176.172 176.000 -0.039 0.000 0.947 91 Q CA -0.218 55.576 55.803 -0.015 0.000 0.812 91 Q CB 0.655 29.465 28.738 0.120 0.000 1.333 91 Q HN 0.202 nan 8.270 nan 0.000 0.430 92 L N 0.463 121.623 121.223 -0.104 0.000 2.211 92 L HA -0.118 4.222 4.340 -0.000 0.000 0.216 92 L C 1.010 177.858 176.870 -0.037 0.000 1.092 92 L CA 1.855 56.635 54.840 -0.099 0.000 0.767 92 L CB -0.490 41.499 42.059 -0.116 0.000 0.894 92 L HN 0.673 nan 8.230 nan 0.000 0.437 93 G N -1.299 107.495 108.800 -0.009 0.000 2.711 93 G HA2 0.546 4.506 3.960 -0.000 0.000 0.288 93 G HA3 0.546 4.506 3.960 -0.000 0.000 0.288 93 G C -0.918 173.998 174.900 0.027 0.000 1.451 93 G CA -0.611 44.494 45.100 0.007 0.000 1.186 93 G HN -0.037 nan 8.290 nan 0.000 0.560 94 I N 4.168 124.752 120.570 0.023 0.000 2.517 94 I HA 0.156 4.326 4.170 -0.000 0.000 0.285 94 I C -1.135 174.985 176.117 0.005 0.000 1.106 94 I CA -1.238 60.071 61.300 0.016 0.000 1.402 94 I CB 0.924 38.867 38.000 -0.095 0.000 1.399 94 I HN 0.290 nan 8.210 nan 0.000 0.535 95 P HA -0.067 nan 4.420 nan 0.000 0.265 95 P C -0.800 176.450 177.300 -0.084 0.000 1.187 95 P CA 0.223 63.305 63.100 -0.029 0.000 0.766 95 P CB 0.457 32.124 31.700 -0.054 0.000 0.820 96 H N 3.306 122.223 119.070 -0.255 0.000 2.502 96 H HA 0.209 4.765 4.556 -0.000 0.000 0.327 96 H C -1.495 173.543 175.328 -0.483 0.000 1.099 96 H CA -1.790 54.042 56.048 -0.359 0.000 1.323 96 H CB 1.283 30.853 29.762 -0.320 0.000 1.450 96 H HN 0.220 nan 8.280 nan 0.000 0.502 97 P HA -0.211 nan 4.420 nan 0.000 0.215 97 P C 1.107 178.145 177.300 -0.437 0.000 1.157 97 P CA 2.087 64.797 63.100 -0.650 0.000 0.868 97 P CB -0.002 31.056 31.700 -1.069 0.000 0.788 98 A N -0.535 122.111 122.820 -0.290 0.000 2.104 98 A HA -0.175 4.145 4.320 -0.000 0.000 0.223 98 A C 2.188 179.942 177.584 0.283 0.000 1.164 98 A CA 2.183 54.275 52.037 0.090 0.000 0.659 98 A CB -1.667 17.373 19.000 0.066 0.000 0.808 98 A HN 0.365 nan 8.150 nan 0.000 0.465 99 G N -1.854 106.951 108.800 0.009 0.000 3.159 99 G HA2 0.429 4.389 3.960 -0.000 0.000 0.232 99 G HA3 0.429 4.389 3.960 -0.000 0.000 0.232 99 G C 0.468 175.351 174.900 -0.028 0.000 1.116 99 G CA -0.361 44.739 45.100 0.001 0.000 0.767 99 G HN 0.355 nan 8.290 nan 0.000 0.547 100 L N 0.367 121.477 121.223 -0.188 0.000 2.476 100 L HA 0.354 4.694 4.340 -0.000 0.000 0.255 100 L C 0.521 177.199 176.870 -0.321 0.000 1.218 100 L CA -0.328 54.309 54.840 -0.337 0.000 0.819 100 L CB 0.963 42.671 42.059 -0.585 0.000 1.119 100 L HN 0.004 nan 8.230 nan 0.000 0.485 101 K N 1.612 121.841 120.400 -0.286 0.000 2.207 101 K HA 0.249 4.569 4.320 -0.000 0.000 0.255 101 K C -0.537 175.997 176.600 -0.110 0.000 0.941 101 K CA -0.823 55.394 56.287 -0.118 0.000 0.825 101 K CB 1.546 34.045 32.500 -0.001 0.000 1.119 101 K HN 0.362 nan 8.250 nan 0.000 0.430 102 K N 2.953 123.465 120.400 0.187 0.000 2.530 102 K HA -0.045 4.275 4.320 -0.000 0.000 0.280 102 K C -0.806 175.901 176.600 0.179 0.000 1.004 102 K CA 0.705 57.208 56.287 0.361 0.000 1.071 102 K CB 0.430 33.113 32.500 0.304 0.000 0.876 102 K HN 0.394 nan 8.250 nan 0.000 0.487 103 K N 3.293 123.812 120.400 0.198 0.000 2.482 103 K HA 0.248 4.568 4.320 -0.000 0.000 0.257 103 K C 0.053 176.722 176.600 0.116 0.000 0.969 103 K CA -0.907 55.455 56.287 0.125 0.000 0.842 103 K CB 1.547 34.104 32.500 0.095 0.000 1.359 103 K HN 0.364 nan 8.250 nan 0.000 0.441 104 K N 0.346 120.791 120.400 0.074 0.000 2.063 104 K HA 0.078 4.398 4.320 -0.000 0.000 0.204 104 K C 0.801 177.401 176.600 -0.000 0.000 1.039 104 K CA 0.892 57.206 56.287 0.045 0.000 0.957 104 K CB -0.261 32.259 32.500 0.033 0.000 0.764 104 K HN 0.686 nan 8.250 nan 0.000 0.447 105 S N 0.910 116.560 115.700 -0.084 0.000 2.473 105 S HA 0.622 5.092 4.470 -0.000 0.000 0.307 105 S C -0.326 174.134 174.600 -0.233 0.000 1.094 105 S CA -0.920 57.099 58.200 -0.300 0.000 1.070 105 S CB 2.039 64.766 63.200 -0.789 0.000 1.019 105 S HN -0.109 nan 8.310 nan 0.000 0.480 106 V N 2.862 122.742 119.914 -0.056 0.000 2.588 106 V HA 0.706 4.826 4.120 -0.000 0.000 0.304 106 V C -0.291 175.902 176.094 0.166 0.000 1.042 106 V CA -0.412 61.947 62.300 0.100 0.000 0.877 106 V CB 2.006 33.926 31.823 0.162 0.000 0.996 106 V HN 1.098 nan 8.190 nan 0.000 0.425 107 T N 3.097 117.759 114.554 0.180 0.000 2.906 107 T HA 0.694 5.044 4.350 -0.000 0.000 0.295 107 T C -0.611 174.068 174.700 -0.036 0.000 1.061 107 T CA -0.694 61.506 62.100 0.167 0.000 1.000 107 T CB 2.013 71.052 68.868 0.286 0.000 1.103 107 T HN 0.781 nan 8.240 nan 0.000 0.486 108 V N 0.781 120.639 119.914 -0.092 0.000 2.483 108 V HA 0.705 4.825 4.120 -0.000 0.000 0.297 108 V C -0.731 175.309 176.094 -0.090 0.000 1.027 108 V CA -0.956 61.177 62.300 -0.278 0.000 0.855 108 V CB 0.832 32.280 31.823 -0.626 0.000 0.995 108 V HN 0.806 nan 8.190 nan 0.000 0.424 109 L N 3.245 124.444 121.223 -0.040 0.000 2.357 109 L HA 0.552 4.892 4.340 -0.000 0.000 0.273 109 L C -0.035 176.854 176.870 0.032 0.000 1.080 109 L CA -0.374 54.474 54.840 0.014 0.000 0.803 109 L CB 1.602 43.680 42.059 0.031 0.000 1.174 109 L HN 0.823 nan 8.230 nan 0.000 0.443 110 D N 1.305 121.733 120.400 0.047 0.000 2.380 110 D HA 0.217 4.856 4.640 -0.000 0.000 0.230 110 D C 0.315 176.660 176.300 0.074 0.000 1.154 110 D CA -0.447 53.592 54.000 0.064 0.000 0.859 110 D CB 1.116 41.953 40.800 0.062 0.000 1.045 110 D HN 0.243 nan 8.370 nan 0.000 0.495 111 V N 2.454 122.429 119.914 0.101 0.000 3.110 111 V HA 0.481 4.601 4.120 -0.000 0.000 0.368 111 V C 1.429 177.560 176.094 0.062 0.000 1.332 111 V CA 0.142 62.517 62.300 0.125 0.000 1.287 111 V CB 0.195 32.157 31.823 0.232 0.000 1.277 111 V HN 0.495 nan 8.190 nan 0.000 0.502 112 G N 1.060 109.887 108.800 0.045 0.000 2.556 112 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.215 112 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.215 112 G C 0.900 175.777 174.900 -0.040 0.000 1.258 112 G CA 0.972 46.089 45.100 0.029 0.000 0.811 112 G HN 0.519 nan 8.290 nan 0.000 0.557 113 D N 1.454 121.826 120.400 -0.047 0.000 2.403 113 D HA 0.077 4.717 4.640 -0.000 0.000 0.227 113 D C 2.430 178.614 176.300 -0.193 0.000 0.995 113 D CA 0.685 54.617 54.000 -0.114 0.000 0.928 113 D CB -0.181 40.597 40.800 -0.037 0.000 0.887 113 D HN 0.274 nan 8.370 nan 0.000 0.529 114 A N 1.193 123.912 122.820 -0.169 0.000 1.869 114 A HA -0.286 4.034 4.320 -0.000 0.000 0.218 114 A C 2.033 179.516 177.584 -0.169 0.000 1.203 114 A CA 1.882 53.860 52.037 -0.099 0.000 0.638 114 A CB -1.419 17.573 19.000 -0.014 0.000 0.831 114 A HN 0.464 nan 8.150 nan 0.000 0.450 115 Y N -2.441 117.592 120.300 -0.445 0.000 2.241 115 Y HA -0.188 4.362 4.550 -0.000 0.000 0.286 115 Y C 1.845 177.628 175.900 -0.194 0.000 1.166 115 Y CA 1.184 59.065 58.100 -0.365 0.000 1.203 115 Y CB -1.324 36.798 38.460 -0.564 0.000 0.977 115 Y HN 0.194 nan 8.280 nan 0.000 0.529 116 F N 0.620 120.316 119.950 -0.424 0.000 2.494 116 F HA -0.120 4.407 4.527 -0.000 0.000 0.298 116 F C 2.227 178.014 175.800 -0.021 0.000 1.106 116 F CA 1.301 59.208 58.000 -0.156 0.000 1.452 116 F CB -0.178 38.703 39.000 -0.199 0.000 1.085 116 F HN 0.090 nan 8.300 nan 0.000 0.569 117 S N -0.907 114.871 115.700 0.129 0.000 2.446 117 S HA 0.036 4.506 4.470 -0.000 0.000 0.225 117 S C 0.773 175.467 174.600 0.156 0.000 1.016 117 S CA 0.123 58.407 58.200 0.140 0.000 0.943 117 S CB 0.012 63.291 63.200 0.132 0.000 0.786 117 S HN -0.102 nan 8.310 nan 0.000 0.508 118 V N 4.027 124.045 119.914 0.173 0.000 2.498 118 V HA 0.254 4.374 4.120 -0.000 0.000 0.279 118 V C -2.399 173.778 176.094 0.138 0.000 1.048 118 V CA -2.188 60.217 62.300 0.176 0.000 0.967 118 V CB 0.696 32.659 31.823 0.234 0.000 0.988 118 V HN 0.097 nan 8.190 nan 0.000 0.473 119 P HA 0.128 nan 4.420 nan 0.000 0.268 119 P C -0.813 176.537 177.300 0.083 0.000 1.208 119 P CA -0.178 62.986 63.100 0.107 0.000 0.777 119 P CB 0.486 32.249 31.700 0.105 0.000 0.875 120 L N 2.452 123.717 121.223 0.070 0.000 2.322 120 L HA 0.379 4.719 4.340 -0.000 0.000 0.281 120 L C -0.291 176.618 176.870 0.066 0.000 1.014 120 L CA -0.803 54.051 54.840 0.023 0.000 0.815 120 L CB 1.153 43.191 42.059 -0.035 0.000 1.247 120 L HN 0.196 nan 8.230 nan 0.000 0.421 121 D N 3.283 123.728 120.400 0.076 0.000 2.659 121 D HA -0.123 4.516 4.640 -0.000 0.000 0.275 121 D C 1.243 177.636 176.300 0.155 0.000 1.407 121 D CA 0.765 54.838 54.000 0.122 0.000 1.033 121 D CB 0.483 41.371 40.800 0.146 0.000 1.139 121 D HN 0.693 nan 8.370 nan 0.000 0.565 122 E N 3.105 123.378 120.200 0.122 0.000 2.504 122 E HA -0.379 3.971 4.350 -0.000 0.000 0.252 122 E C 1.096 177.779 176.600 0.139 0.000 1.018 122 E CA 2.564 59.032 56.400 0.114 0.000 1.151 122 E CB -0.358 29.397 29.700 0.092 0.000 1.081 122 E HN 0.624 nan 8.360 nan 0.000 0.509 123 D N -1.209 119.281 120.400 0.151 0.000 2.220 123 D HA -0.207 4.432 4.640 -0.000 0.000 0.198 123 D C 1.763 178.209 176.300 0.243 0.000 1.001 123 D CA 1.361 55.460 54.000 0.166 0.000 0.875 123 D CB -0.405 40.505 40.800 0.184 0.000 0.921 123 D HN 0.310 nan 8.370 nan 0.000 0.454 124 F N 0.901 120.943 119.950 0.153 0.000 2.710 124 F HA 0.077 4.604 4.527 -0.000 0.000 0.298 124 F C 2.142 178.052 175.800 0.185 0.000 1.137 124 F CA 0.154 58.306 58.000 0.254 0.000 1.444 124 F CB 0.191 39.287 39.000 0.159 0.000 1.111 124 F HN -0.233 nan 8.300 nan 0.000 0.580 125 R N 1.071 121.694 120.500 0.205 0.000 2.091 125 R HA -0.218 4.122 4.340 -0.000 0.000 0.238 125 R C 2.279 178.584 176.300 0.009 0.000 1.136 125 R CA 1.996 58.165 56.100 0.114 0.000 0.959 125 R CB -0.554 29.806 30.300 0.101 0.000 0.856 125 R HN 0.337 nan 8.270 nan 0.000 0.437 126 K N -0.011 120.318 120.400 -0.119 0.000 2.242 126 K HA -0.247 4.073 4.320 -0.000 0.000 0.206 126 K C 1.138 177.592 176.600 -0.244 0.000 1.045 126 K CA 1.954 58.107 56.287 -0.223 0.000 0.930 126 K CB -0.391 31.893 32.500 -0.361 0.000 0.726 126 K HN 0.316 nan 8.250 nan 0.000 0.462 127 Y N 2.010 122.221 120.300 -0.147 0.000 2.448 127 Y HA 0.003 4.553 4.550 -0.000 0.000 0.289 127 Y C 2.502 178.422 175.900 0.032 0.000 1.114 127 Y CA 1.113 59.090 58.100 -0.205 0.000 1.235 127 Y CB -0.273 37.804 38.460 -0.637 0.000 1.045 127 Y HN 0.227 nan 8.280 nan 0.000 0.554 128 T N -1.139 113.537 114.554 0.205 0.000 3.098 128 T HA 0.079 4.429 4.350 -0.000 0.000 0.266 128 T C 1.112 176.100 174.700 0.480 0.000 1.145 128 T CA 0.321 62.655 62.100 0.390 0.000 1.092 128 T CB -0.755 68.320 68.868 0.345 0.000 0.908 128 T HN 0.270 nan 8.240 nan 0.000 0.526 129 A N 2.215 125.186 122.820 0.252 0.000 2.553 129 A HA 0.454 4.774 4.320 -0.000 0.000 0.258 129 A C 0.219 177.889 177.584 0.143 0.000 1.069 129 A CA -0.463 51.618 52.037 0.073 0.000 0.767 129 A CB -0.910 18.116 19.000 0.043 0.000 0.997 129 A HN 0.599 nan 8.150 nan 0.000 0.512 130 F N 0.619 120.693 119.950 0.207 0.000 2.585 130 F HA 0.892 5.419 4.527 -0.000 0.000 0.350 130 F C 0.211 176.077 175.800 0.110 0.000 1.074 130 F CA -1.183 56.905 58.000 0.147 0.000 1.032 130 F CB 1.266 40.354 39.000 0.147 0.000 1.330 130 F HN 0.274 nan 8.300 nan 0.000 0.495 131 T N 1.759 116.542 114.554 0.382 0.000 3.143 131 T HA 0.375 4.725 4.350 -0.000 0.000 0.312 131 T C -1.357 173.513 174.700 0.284 0.000 0.986 131 T CA -0.459 61.783 62.100 0.237 0.000 1.024 131 T CB 0.582 69.569 68.868 0.198 0.000 1.030 131 T HN 0.813 nan 8.240 nan 0.000 0.448 132 I N 7.876 128.607 120.570 0.269 0.000 2.301 132 I HA 0.464 4.634 4.170 -0.000 0.000 0.292 132 I C -2.194 173.997 176.117 0.124 0.000 1.046 132 I CA -2.559 58.861 61.300 0.200 0.000 1.282 132 I CB 1.315 39.459 38.000 0.239 0.000 1.409 132 I HN 0.333 nan 8.210 nan 0.000 0.484 133 P HA 0.091 nan 4.420 nan 0.000 0.271 133 P C -0.802 176.520 177.300 0.037 0.000 1.220 133 P CA -0.099 63.056 63.100 0.093 0.000 0.768 133 P CB 0.840 32.629 31.700 0.149 0.000 0.848 134 S N 3.490 119.192 115.700 0.004 0.000 2.474 134 S HA 0.075 4.545 4.470 -0.000 0.000 0.276 134 S C 1.663 176.254 174.600 -0.016 0.000 1.227 134 S CA -0.409 57.784 58.200 -0.012 0.000 1.050 134 S CB -0.317 62.865 63.200 -0.029 0.000 0.939 134 S HN 0.547 nan 8.310 nan 0.000 0.490 135 I N 4.159 124.721 120.570 -0.013 0.000 2.600 135 I HA -0.504 3.666 4.170 -0.000 0.000 0.230 135 I C 1.269 177.376 176.117 -0.016 0.000 0.913 135 I CA 2.244 63.536 61.300 -0.014 0.000 1.228 135 I CB 0.071 38.060 38.000 -0.019 0.000 0.943 135 I HN 0.675 nan 8.210 nan 0.000 0.391 136 N N -1.771 116.913 118.700 -0.026 0.000 3.225 136 N HA -0.027 4.713 4.740 -0.000 0.000 0.250 136 N C 1.170 176.652 175.510 -0.046 0.000 0.980 136 N CA 0.687 53.719 53.050 -0.030 0.000 1.117 136 N CB -0.888 37.585 38.487 -0.024 0.000 1.488 136 N HN 0.257 nan 8.380 nan 0.000 0.833 137 N N 2.180 120.852 118.700 -0.047 0.000 2.655 137 N HA -0.256 4.484 4.740 -0.000 0.000 0.204 137 N C -0.690 174.773 175.510 -0.079 0.000 1.089 137 N CA 1.216 54.233 53.050 -0.056 0.000 0.946 137 N CB -0.129 38.327 38.487 -0.051 0.000 0.956 137 N HN 0.234 nan 8.380 nan 0.000 0.454 138 E N -0.739 119.402 120.200 -0.097 0.000 2.326 138 E HA -0.172 4.178 4.350 -0.000 0.000 0.195 138 E C -0.400 176.118 176.600 -0.136 0.000 1.367 138 E CA 0.929 57.240 56.400 -0.149 0.000 0.666 138 E CB -1.752 27.854 29.700 -0.157 0.000 1.147 138 E HN 0.535 nan 8.360 nan 0.000 0.384 139 T N -1.007 113.476 114.554 -0.117 0.000 2.833 139 T HA 0.594 4.944 4.350 -0.000 0.000 0.292 139 T C -0.665 173.966 174.700 -0.116 0.000 1.031 139 T CA -0.341 61.699 62.100 -0.099 0.000 0.937 139 T CB 0.643 69.466 68.868 -0.075 0.000 1.256 139 T HN 0.064 nan 8.240 nan 0.000 0.551 140 P HA 0.166 nan 4.420 nan 0.000 0.220 140 P C 0.811 178.049 177.300 -0.103 0.000 1.148 140 P CA 1.128 64.166 63.100 -0.102 0.000 0.803 140 P CB -0.836 30.811 31.700 -0.089 0.000 0.782 141 G N 1.033 109.779 108.800 -0.090 0.000 3.439 141 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.684 141 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.684 141 G C -0.524 174.320 174.900 -0.093 0.000 1.005 141 G CA -0.476 44.585 45.100 -0.065 0.000 0.837 141 G HN 0.397 nan 8.290 nan 0.000 0.470 142 I N 2.636 123.150 120.570 -0.094 0.000 2.752 142 I HA 0.401 4.571 4.170 -0.000 0.000 0.286 142 I C 0.734 176.652 176.117 -0.331 0.000 1.180 142 I CA 0.112 61.293 61.300 -0.200 0.000 1.404 142 I CB 0.111 38.041 38.000 -0.116 0.000 1.389 142 I HN 0.590 nan 8.210 nan 0.000 0.549 143 R N 5.956 126.157 120.500 -0.499 0.000 2.562 143 R HA 0.521 4.860 4.340 -0.000 0.000 0.298 143 R C -1.639 174.167 176.300 -0.823 0.000 0.961 143 R CA -0.653 55.130 56.100 -0.528 0.000 0.881 143 R CB 1.209 31.348 30.300 -0.268 0.000 1.159 143 R HN 0.598 nan 8.270 nan 0.000 0.450 144 Y N 0.636 120.632 120.300 -0.507 0.000 2.598 144 Y HA 0.358 4.908 4.550 -0.000 0.000 0.340 144 Y C -0.208 175.204 175.900 -0.813 0.000 1.038 144 Y CA -0.810 56.878 58.100 -0.687 0.000 1.100 144 Y CB 1.890 39.929 38.460 -0.702 0.000 1.281 144 Y HN 0.437 nan 8.280 nan 0.000 0.488 145 Q N 0.716 120.373 119.800 -0.239 0.000 2.347 145 Q HA 0.426 4.766 4.340 -0.000 0.000 0.271 145 Q C -1.962 174.063 176.000 0.041 0.000 1.064 145 Q CA -0.816 54.938 55.803 -0.081 0.000 0.800 145 Q CB 1.615 30.341 28.738 -0.020 0.000 1.304 145 Q HN 0.735 nan 8.270 nan 0.000 0.438 146 Y N 2.216 122.608 120.300 0.154 0.000 2.336 146 Y HA 0.166 4.715 4.550 -0.000 0.000 0.331 146 Y C 0.972 176.943 175.900 0.118 0.000 1.211 146 Y CA 0.473 58.694 58.100 0.202 0.000 1.346 146 Y CB 0.974 39.582 38.460 0.246 0.000 1.271 146 Y HN 0.707 nan 8.280 nan 0.000 0.538 147 N N 0.803 119.706 118.700 0.338 0.000 2.181 147 N HA 0.082 4.822 4.740 -0.000 0.000 0.207 147 N C -0.144 175.487 175.510 0.202 0.000 1.182 147 N CA 0.466 53.641 53.050 0.208 0.000 0.893 147 N CB 0.926 39.505 38.487 0.152 0.000 1.032 147 N HN 0.431 nan 8.380 nan 0.000 0.513 148 V N -2.291 117.794 119.914 0.285 0.000 3.998 148 V HA 0.553 4.673 4.120 -0.000 0.000 0.297 148 V C -0.154 175.957 176.094 0.028 0.000 1.378 148 V CA -0.844 61.567 62.300 0.185 0.000 0.949 148 V CB 0.924 32.905 31.823 0.263 0.000 1.258 148 V HN -0.205 nan 8.190 nan 0.000 0.471 149 L N 2.239 123.432 121.223 -0.051 0.000 2.270 149 L HA 0.482 4.822 4.340 -0.000 0.000 0.286 149 L C -2.406 174.253 176.870 -0.351 0.000 1.059 149 L CA -1.519 53.225 54.840 -0.160 0.000 0.839 149 L CB 0.903 42.958 42.059 -0.008 0.000 1.221 149 L HN 0.437 nan 8.230 nan 0.000 0.431 150 P HA -0.146 nan 4.420 nan 0.000 0.263 150 P C 0.415 177.516 177.300 -0.331 0.000 1.168 150 P CA 0.418 63.095 63.100 -0.704 0.000 0.759 150 P CB 0.544 31.658 31.700 -0.977 0.000 0.782 151 Q N 2.781 122.562 119.800 -0.031 0.000 2.226 151 Q HA -0.123 4.217 4.340 -0.000 0.000 0.204 151 Q C 1.834 177.792 176.000 -0.070 0.000 0.975 151 Q CA 2.137 57.923 55.803 -0.028 0.000 0.866 151 Q CB -0.576 28.364 28.738 0.337 0.000 0.915 151 Q HN 0.648 nan 8.270 nan 0.000 0.440 152 G N -0.159 108.755 108.800 0.190 0.000 2.441 152 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.212 152 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.212 152 G C -0.156 174.810 174.900 0.112 0.000 1.164 152 G CA -0.207 45.044 45.100 0.251 0.000 0.811 152 G HN 0.436 nan 8.290 nan 0.000 0.535 153 W N 2.038 123.134 121.300 -0.340 0.000 2.771 153 W HA -0.103 4.557 4.660 -0.000 0.000 0.323 153 W C 1.811 178.165 176.519 -0.275 0.000 1.042 153 W CA 0.726 57.816 57.345 -0.424 0.000 1.306 153 W CB 0.600 29.685 29.460 -0.624 0.000 1.153 153 W HN 0.145 nan 8.180 nan 0.000 0.558 154 K N 2.411 122.380 120.400 -0.719 0.000 2.002 154 K HA -0.087 4.233 4.320 -0.000 0.000 0.209 154 K C 1.795 177.829 176.600 -0.944 0.000 1.048 154 K CA 1.660 57.538 56.287 -0.682 0.000 0.930 154 K CB -0.713 31.472 32.500 -0.525 0.000 0.714 154 K HN 0.643 nan 8.250 nan 0.000 0.438 155 G N -0.288 107.404 108.800 -1.845 0.000 3.262 155 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.228 155 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.228 155 G C 0.879 175.118 174.900 -1.102 0.000 1.197 155 G CA -0.122 43.717 45.100 -2.101 0.000 0.819 155 G HN 0.188 nan 8.290 nan 0.000 0.531 156 S N 1.457 116.825 115.700 -0.553 0.000 2.348 156 S HA -0.020 4.450 4.470 -0.000 0.000 0.219 156 S C 0.049 174.494 174.600 -0.258 0.000 1.033 156 S CA 0.942 58.997 58.200 -0.241 0.000 0.974 156 S CB -0.484 62.559 63.200 -0.263 0.000 0.868 156 S HN 0.274 nan 8.310 nan 0.000 0.459 157 P HA -0.075 nan 4.420 nan 0.000 0.216 157 P C 1.372 178.603 177.300 -0.115 0.000 1.153 157 P CA 1.516 64.504 63.100 -0.188 0.000 0.858 157 P CB -0.114 31.449 31.700 -0.229 0.000 0.789 158 A N 0.068 122.730 122.820 -0.264 0.000 1.824 158 A HA -0.191 4.129 4.320 -0.000 0.000 0.215 158 A C 2.206 179.686 177.584 -0.173 0.000 1.209 158 A CA 1.744 53.640 52.037 -0.236 0.000 0.614 158 A CB -1.717 17.059 19.000 -0.372 0.000 0.852 158 A HN 0.053 nan 8.150 nan 0.000 0.447 159 I N -1.370 119.043 120.570 -0.261 0.000 2.358 159 I HA -0.316 3.854 4.170 -0.000 0.000 0.257 159 I C 2.344 178.453 176.117 -0.013 0.000 1.123 159 I CA 2.017 63.251 61.300 -0.110 0.000 1.393 159 I CB -0.535 37.419 38.000 -0.076 0.000 1.073 159 I HN 0.512 nan 8.210 nan 0.000 0.437 160 F N 1.730 121.604 119.950 -0.127 0.000 2.059 160 F HA -0.180 4.346 4.527 -0.000 0.000 0.289 160 F C 2.704 178.459 175.800 -0.074 0.000 1.128 160 F CA 1.562 59.517 58.000 -0.076 0.000 1.181 160 F CB -0.756 38.200 39.000 -0.073 0.000 1.012 160 F HN -0.098 nan 8.300 nan 0.000 0.473 161 Q N 0.804 120.429 119.800 -0.291 0.000 2.133 161 Q HA -0.237 4.103 4.340 -0.000 0.000 0.208 161 Q C 2.435 178.257 176.000 -0.297 0.000 0.991 161 Q CA 1.981 57.573 55.803 -0.352 0.000 0.867 161 Q CB -0.981 27.666 28.738 -0.152 0.000 0.911 161 Q HN 0.578 nan 8.270 nan 0.000 0.417 162 S N -0.405 115.184 115.700 -0.185 0.000 2.426 162 S HA -0.187 4.283 4.470 -0.000 0.000 0.220 162 S C 2.107 176.592 174.600 -0.192 0.000 1.040 162 S CA 2.238 60.360 58.200 -0.130 0.000 1.094 162 S CB -0.533 62.628 63.200 -0.064 0.000 1.072 162 S HN 0.483 nan 8.310 nan 0.000 0.415 163 S N 1.400 116.984 115.700 -0.192 0.000 2.393 163 S HA -0.254 4.216 4.470 -0.000 0.000 0.234 163 S C 1.903 176.314 174.600 -0.315 0.000 1.064 163 S CA 2.145 60.221 58.200 -0.207 0.000 1.088 163 S CB -0.720 62.400 63.200 -0.133 0.000 0.939 163 S HN 0.662 nan 8.310 nan 0.000 0.448 164 M N 1.592 120.902 119.600 -0.484 0.000 2.108 164 M HA -0.095 4.385 4.480 -0.000 0.000 0.261 164 M C 2.015 178.125 176.300 -0.316 0.000 1.066 164 M CA 1.740 56.756 55.300 -0.473 0.000 1.107 164 M CB -1.300 30.863 32.600 -0.729 0.000 1.356 164 M HN 0.176 nan 8.290 nan 0.000 0.406 165 T N 0.784 115.176 114.554 -0.271 0.000 2.720 165 T HA -0.159 4.191 4.350 -0.000 0.000 0.268 165 T C 1.811 176.414 174.700 -0.161 0.000 1.037 165 T CA 1.692 63.686 62.100 -0.176 0.000 1.144 165 T CB -0.159 68.627 68.868 -0.137 0.000 0.864 165 T HN 0.459 nan 8.240 nan 0.000 0.444 166 K N 0.376 120.659 120.400 -0.194 0.000 2.057 166 K HA 0.062 4.382 4.320 -0.000 0.000 0.206 166 K C 2.213 178.639 176.600 -0.290 0.000 1.050 166 K CA 1.017 57.182 56.287 -0.203 0.000 0.935 166 K CB -0.271 32.102 32.500 -0.210 0.000 0.715 166 K HN 0.361 nan 8.250 nan 0.000 0.439 167 I N 1.176 121.495 120.570 -0.417 0.000 2.394 167 I HA -0.271 3.899 4.170 -0.000 0.000 0.251 167 I C 2.103 178.091 176.117 -0.214 0.000 1.136 167 I CA 1.065 61.987 61.300 -0.629 0.000 1.425 167 I CB -0.144 37.419 38.000 -0.728 0.000 1.079 167 I HN 0.114 nan 8.210 nan 0.000 0.425 168 L N 0.031 121.185 121.223 -0.115 0.000 2.068 168 L HA -0.157 4.183 4.340 -0.000 0.000 0.204 168 L C 2.448 179.367 176.870 0.081 0.000 1.076 168 L CA 0.999 55.868 54.840 0.049 0.000 0.753 168 L CB -0.673 41.395 42.059 0.015 0.000 0.910 168 L HN 0.210 nan 8.230 nan 0.000 0.439 169 E N 0.456 120.656 120.200 -0.001 0.000 2.239 169 E HA -0.304 4.046 4.350 -0.000 0.000 0.240 169 E C -0.657 175.955 176.600 0.021 0.000 1.079 169 E CA 2.938 59.337 56.400 -0.001 0.000 0.991 169 E CB -0.972 28.708 29.700 -0.033 0.000 0.863 169 E HN 0.306 nan 8.360 nan 0.000 0.491 170 P HA -0.223 nan 4.420 nan 0.000 0.212 170 P C 1.556 178.865 177.300 0.014 0.000 1.178 170 P CA 1.684 64.799 63.100 0.026 0.000 0.915 170 P CB -0.493 31.242 31.700 0.058 0.000 0.788 171 F N 1.765 121.613 119.950 -0.171 0.000 2.063 171 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 171 F C 2.428 178.174 175.800 -0.090 0.000 1.109 171 F CA 2.052 59.938 58.000 -0.191 0.000 1.212 171 F CB -0.838 38.044 39.000 -0.197 0.000 0.973 171 F HN -0.218 nan 8.300 nan 0.000 0.480 172 K N 0.969 121.412 120.400 0.072 0.000 2.074 172 K HA -0.231 4.089 4.320 -0.000 0.000 0.209 172 K C 2.112 178.647 176.600 -0.108 0.000 1.048 172 K CA 1.702 57.975 56.287 -0.024 0.000 0.926 172 K CB -0.416 32.108 32.500 0.040 0.000 0.713 172 K HN 0.368 nan 8.250 nan 0.000 0.444 173 K N 0.305 120.655 120.400 -0.083 0.000 1.965 173 K HA -0.138 4.182 4.320 -0.000 0.000 0.214 173 K C 2.025 178.548 176.600 -0.127 0.000 1.046 173 K CA 1.158 57.396 56.287 -0.082 0.000 0.944 173 K CB -0.272 32.198 32.500 -0.051 0.000 0.726 173 K HN 0.210 nan 8.250 nan 0.000 0.441 174 Q N 0.810 120.521 119.800 -0.149 0.000 2.585 174 Q HA -0.130 4.210 4.340 -0.000 0.000 0.219 174 Q C -0.616 175.230 176.000 -0.257 0.000 0.984 174 Q CA 0.815 56.516 55.803 -0.171 0.000 0.915 174 Q CB 0.063 28.711 28.738 -0.149 0.000 0.967 174 Q HN 0.231 nan 8.270 nan 0.000 0.530 175 N N -0.181 118.330 118.700 -0.314 0.000 2.700 175 N HA 0.106 4.846 4.740 -0.000 0.000 0.242 175 N C -2.376 172.998 175.510 -0.225 0.000 1.541 175 N CA -0.637 52.208 53.050 -0.342 0.000 0.764 175 N CB 1.517 39.606 38.487 -0.664 0.000 1.319 175 N HN 0.119 nan 8.380 nan 0.000 0.518 176 P HA -0.147 nan 4.420 nan 0.000 0.219 176 P C 0.906 178.171 177.300 -0.057 0.000 1.146 176 P CA 1.159 64.210 63.100 -0.082 0.000 0.808 176 P CB 0.563 32.227 31.700 -0.060 0.000 0.779 177 D N 0.412 120.778 120.400 -0.057 0.000 2.178 177 D HA -0.095 4.545 4.640 -0.000 0.000 0.201 177 D C 0.751 177.049 176.300 -0.004 0.000 0.980 177 D CA 0.440 54.426 54.000 -0.023 0.000 0.842 177 D CB -0.613 40.178 40.800 -0.015 0.000 0.948 177 D HN 0.189 nan 8.370 nan 0.000 0.472 178 I N 2.098 122.655 120.570 -0.021 0.000 2.347 178 I HA 0.086 4.256 4.170 -0.000 0.000 0.294 178 I C 0.102 176.244 176.117 0.042 0.000 1.090 178 I CA -0.912 60.403 61.300 0.025 0.000 1.314 178 I CB 0.777 38.793 38.000 0.027 0.000 1.423 178 I HN -0.154 nan 8.210 nan 0.000 0.503 179 V N 5.764 125.707 119.914 0.049 0.000 2.508 179 V HA 0.424 4.544 4.120 -0.000 0.000 0.281 179 V C 0.002 176.141 176.094 0.075 0.000 1.041 179 V CA -0.257 62.066 62.300 0.038 0.000 1.016 179 V CB 0.709 32.529 31.823 -0.006 0.000 0.984 179 V HN 0.544 nan 8.190 nan 0.000 0.478 180 I N 6.411 127.032 120.570 0.086 0.000 2.420 180 I HA 0.421 4.591 4.170 -0.000 0.000 0.282 180 I C -1.014 175.173 176.117 0.117 0.000 1.019 180 I CA -0.434 60.934 61.300 0.114 0.000 1.130 180 I CB 1.278 39.350 38.000 0.120 0.000 1.262 180 I HN 0.816 nan 8.210 nan 0.000 0.454 181 Y N 7.482 127.763 120.300 -0.032 0.000 2.376 181 Y HA 0.414 4.964 4.550 -0.000 0.000 0.340 181 Y C -0.550 175.350 175.900 -0.000 0.000 0.965 181 Y CA -0.686 57.366 58.100 -0.079 0.000 1.078 181 Y CB 1.261 39.576 38.460 -0.243 0.000 1.193 181 Y HN 0.531 nan 8.280 nan 0.000 0.452 182 Q N 5.335 124.956 119.800 -0.298 0.000 2.266 182 Q HA 0.279 4.619 4.340 -0.000 0.000 0.261 182 Q C -2.167 173.780 176.000 -0.088 0.000 0.985 182 Q CA -0.830 54.957 55.803 -0.026 0.000 0.873 182 Q CB 2.472 31.204 28.738 -0.009 0.000 1.306 182 Q HN 0.872 nan 8.270 nan 0.000 0.447 183 Y N 4.451 124.829 120.300 0.131 0.000 2.541 183 Y HA 0.301 4.851 4.550 -0.000 0.000 0.350 183 Y C 0.227 176.267 175.900 0.234 0.000 1.075 183 Y CA -0.462 57.770 58.100 0.220 0.000 1.302 183 Y CB 0.229 39.024 38.460 0.558 0.000 1.094 183 Y HN 0.894 nan 8.280 nan 0.000 0.579 184 M N -0.039 119.508 119.600 -0.088 0.000 7.319 184 M HA -0.381 4.099 4.480 -0.000 0.000 0.299 184 M C 0.396 176.733 176.300 0.061 0.000 0.480 184 M CA 1.962 57.206 55.300 -0.093 0.000 1.311 184 M CB -0.992 31.443 32.600 -0.274 0.000 0.421 184 M HN 0.411 nan 8.290 nan 0.000 0.612 185 D N 1.826 122.259 120.400 0.056 0.000 2.390 185 D HA 0.053 4.693 4.640 -0.000 0.000 0.235 185 D C -0.235 176.159 176.300 0.157 0.000 1.040 185 D CA 0.911 54.968 54.000 0.094 0.000 0.923 185 D CB -0.113 40.735 40.800 0.080 0.000 0.886 185 D HN 0.276 nan 8.370 nan 0.000 0.532 186 D N 0.363 120.906 120.400 0.238 0.000 2.457 186 D HA 0.410 5.050 4.640 -0.000 0.000 0.240 186 D C -0.602 175.913 176.300 0.359 0.000 1.041 186 D CA -0.587 53.597 54.000 0.307 0.000 0.861 186 D CB 2.656 43.772 40.800 0.527 0.000 1.394 186 D HN -0.129 nan 8.370 nan 0.000 0.473 187 L N 2.824 124.221 121.223 0.290 0.000 2.518 187 L HA 0.314 4.654 4.340 -0.000 0.000 0.262 187 L C -1.840 175.178 176.870 0.247 0.000 0.982 187 L CA -0.498 54.503 54.840 0.269 0.000 0.873 187 L CB 0.634 42.784 42.059 0.152 0.000 1.198 187 L HN 0.170 nan 8.230 nan 0.000 0.427 188 Y N 3.482 123.804 120.300 0.036 0.000 2.301 188 Y HA 0.675 5.225 4.550 -0.000 0.000 0.325 188 Y C 0.092 175.988 175.900 -0.007 0.000 1.203 188 Y CA -0.909 57.155 58.100 -0.061 0.000 1.255 188 Y CB 1.658 39.994 38.460 -0.208 0.000 1.232 188 Y HN 0.257 nan 8.280 nan 0.000 0.501 189 V N 1.876 121.876 119.914 0.142 0.000 2.525 189 V HA 0.789 4.909 4.120 -0.000 0.000 0.299 189 V C 0.039 176.250 176.094 0.194 0.000 1.034 189 V CA -0.882 61.511 62.300 0.155 0.000 0.863 189 V CB 1.614 33.519 31.823 0.137 0.000 0.999 189 V HN 0.926 nan 8.190 nan 0.000 0.423 190 G N 2.400 111.303 108.800 0.170 0.000 2.524 190 G HA2 0.837 4.797 3.960 -0.000 0.000 0.310 190 G HA3 0.837 4.797 3.960 -0.000 0.000 0.310 190 G C -0.575 174.446 174.900 0.202 0.000 1.279 190 G CA 0.021 45.230 45.100 0.182 0.000 0.974 190 G HN 1.036 nan 8.290 nan 0.000 0.484 191 S N -0.555 115.285 115.700 0.233 0.000 2.790 191 S HA 0.589 5.059 4.470 -0.000 0.000 0.292 191 S C -1.107 173.578 174.600 0.141 0.000 1.197 191 S CA -0.700 57.620 58.200 0.200 0.000 0.851 191 S CB 2.138 65.513 63.200 0.291 0.000 1.217 191 S HN 0.286 nan 8.310 nan 0.000 0.526 192 D N 0.523 120.994 120.400 0.118 0.000 2.571 192 D HA 0.406 5.046 4.640 -0.000 0.000 0.239 192 D C 0.134 176.484 176.300 0.083 0.000 1.267 192 D CA -0.037 54.013 54.000 0.083 0.000 0.823 192 D CB 0.164 40.998 40.800 0.057 0.000 1.056 192 D HN 0.393 nan 8.370 nan 0.000 0.494 193 L N 0.291 121.589 121.223 0.125 0.000 2.488 193 L HA 0.379 4.719 4.340 -0.000 0.000 0.249 193 L C 0.606 177.537 176.870 0.102 0.000 1.151 193 L CA -0.747 54.161 54.840 0.114 0.000 0.806 193 L CB 0.612 42.760 42.059 0.147 0.000 1.261 193 L HN -0.230 nan 8.230 nan 0.000 0.484 194 E N 0.030 120.283 120.200 0.088 0.000 2.175 194 E HA 0.175 4.525 4.350 -0.000 0.000 0.278 194 E C 0.821 177.475 176.600 0.090 0.000 0.969 194 E CA -0.415 56.024 56.400 0.064 0.000 0.796 194 E CB 2.250 31.979 29.700 0.049 0.000 1.104 194 E HN 0.501 nan 8.360 nan 0.000 0.395 195 I N 2.644 123.252 120.570 0.062 0.000 2.308 195 I HA -0.418 3.752 4.170 -0.000 0.000 0.248 195 I C 1.643 177.837 176.117 0.128 0.000 1.002 195 I CA 2.227 63.576 61.300 0.083 0.000 1.307 195 I CB -0.067 37.959 38.000 0.043 0.000 0.997 195 I HN 0.789 nan 8.210 nan 0.000 0.431 196 G N -0.841 108.015 108.800 0.093 0.000 2.705 196 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.214 196 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.214 196 G C 1.253 176.212 174.900 0.099 0.000 1.321 196 G CA 0.870 46.020 45.100 0.082 0.000 0.826 196 G HN 0.524 nan 8.290 nan 0.000 0.595 197 Q N -0.556 119.297 119.800 0.089 0.000 2.118 197 Q HA -0.310 4.030 4.340 -0.000 0.000 0.211 197 Q C 2.266 178.326 176.000 0.101 0.000 0.998 197 Q CA 2.115 57.967 55.803 0.081 0.000 0.872 197 Q CB -0.375 28.406 28.738 0.072 0.000 0.925 197 Q HN 0.785 nan 8.270 nan 0.000 0.414 198 H N 0.409 119.510 119.070 0.051 0.000 2.390 198 H HA -0.092 4.464 4.556 -0.000 0.000 0.298 198 H C 1.653 177.024 175.328 0.071 0.000 1.106 198 H CA 1.777 57.862 56.048 0.063 0.000 1.297 198 H CB 0.156 29.956 29.762 0.064 0.000 1.375 198 H HN 0.071 nan 8.280 nan 0.000 0.509 199 R N -0.643 119.944 120.500 0.144 0.000 2.307 199 R HA 0.002 4.342 4.340 -0.000 0.000 0.199 199 R C 1.779 178.097 176.300 0.031 0.000 1.000 199 R CA 0.957 57.108 56.100 0.086 0.000 1.023 199 R CB 0.207 30.588 30.300 0.135 0.000 0.908 199 R HN 0.352 nan 8.270 nan 0.000 0.473 200 T N 1.000 115.571 114.554 0.028 0.000 2.643 200 T HA -0.113 4.237 4.350 -0.000 0.000 0.256 200 T C 1.631 176.348 174.700 0.027 0.000 1.061 200 T CA 0.989 63.108 62.100 0.032 0.000 1.163 200 T CB -0.087 68.803 68.868 0.037 0.000 0.865 200 T HN -0.007 nan 8.240 nan 0.000 0.407 201 K N 1.260 121.668 120.400 0.015 0.000 2.077 201 K HA -0.107 4.212 4.320 -0.000 0.000 0.213 201 K C 2.058 178.691 176.600 0.054 0.000 1.051 201 K CA 1.323 57.644 56.287 0.058 0.000 0.929 201 K CB -0.962 31.536 32.500 -0.003 0.000 0.715 201 K HN 0.224 nan 8.250 nan 0.000 0.451 202 I N 0.670 121.193 120.570 -0.078 0.000 2.151 202 I HA -0.272 3.898 4.170 -0.000 0.000 0.243 202 I C 2.274 178.382 176.117 -0.014 0.000 1.080 202 I CA 1.693 62.958 61.300 -0.059 0.000 1.339 202 I CB -1.054 36.909 38.000 -0.063 0.000 1.039 202 I HN 0.361 nan 8.210 nan 0.000 0.409 203 E N 1.034 121.238 120.200 0.007 0.000 2.051 203 E HA -0.227 4.123 4.350 -0.000 0.000 0.192 203 E C 2.069 178.680 176.600 0.018 0.000 0.991 203 E CA 1.444 57.853 56.400 0.016 0.000 0.799 203 E CB -0.002 29.715 29.700 0.028 0.000 0.748 203 E HN 0.423 nan 8.360 nan 0.000 0.449 204 E N -0.137 120.092 120.200 0.049 0.000 2.049 204 E HA -0.253 4.097 4.350 -0.000 0.000 0.198 204 E C 2.136 178.724 176.600 -0.021 0.000 1.007 204 E CA 1.397 57.845 56.400 0.080 0.000 0.809 204 E CB -0.308 29.509 29.700 0.194 0.000 0.749 204 E HN 0.243 nan 8.360 nan 0.000 0.450 205 L N 1.430 122.533 121.223 -0.200 0.000 2.043 205 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 205 L C 2.319 179.052 176.870 -0.229 0.000 1.075 205 L CA 1.897 56.367 54.840 -0.616 0.000 0.752 205 L CB -0.422 41.236 42.059 -0.670 0.000 0.891 205 L HN -0.031 nan 8.230 nan 0.000 0.432 206 R N -1.164 119.271 120.500 -0.108 0.000 2.083 206 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 206 R C 2.315 178.609 176.300 -0.010 0.000 1.137 206 R CA 1.842 57.917 56.100 -0.041 0.000 0.951 206 R CB -0.211 30.082 30.300 -0.012 0.000 0.851 206 R HN 0.492 nan 8.270 nan 0.000 0.434 207 Q N -0.627 119.181 119.800 0.013 0.000 2.119 207 Q HA -0.186 4.154 4.340 -0.000 0.000 0.201 207 Q C 1.944 177.989 176.000 0.076 0.000 0.972 207 Q CA 1.707 57.534 55.803 0.041 0.000 0.847 207 Q CB -0.557 28.213 28.738 0.053 0.000 0.903 207 Q HN 0.535 nan 8.270 nan 0.000 0.433 208 H N 0.834 119.898 119.070 -0.011 0.000 2.290 208 H HA -0.070 4.486 4.556 -0.000 0.000 0.298 208 H C 2.024 177.451 175.328 0.166 0.000 1.087 208 H CA 1.797 57.880 56.048 0.058 0.000 1.291 208 H CB -0.437 29.288 29.762 -0.062 0.000 1.369 208 H HN 0.118 nan 8.280 nan 0.000 0.492 209 L N -0.540 120.624 121.223 -0.098 0.000 2.043 209 L HA -0.185 4.155 4.340 -0.000 0.000 0.212 209 L C 2.558 179.448 176.870 0.033 0.000 1.075 209 L CA 1.149 55.941 54.840 -0.080 0.000 0.752 209 L CB -0.528 41.498 42.059 -0.056 0.000 0.891 209 L HN 0.318 nan 8.230 nan 0.000 0.432 210 L N 0.083 121.318 121.223 0.019 0.000 2.079 210 L HA -0.199 4.141 4.340 -0.000 0.000 0.210 210 L C 2.626 179.489 176.870 -0.011 0.000 1.081 210 L CA 1.697 56.548 54.840 0.017 0.000 0.752 210 L CB -0.637 41.429 42.059 0.011 0.000 0.896 210 L HN 0.155 nan 8.230 nan 0.000 0.433 211 R N -1.723 118.754 120.500 -0.038 0.000 2.341 211 R HA -0.166 4.174 4.340 -0.000 0.000 0.213 211 R C 0.306 176.386 176.300 -0.366 0.000 1.082 211 R CA 1.027 57.020 56.100 -0.179 0.000 1.017 211 R CB -0.440 29.753 30.300 -0.179 0.000 0.860 211 R HN 0.436 nan 8.270 nan 0.000 0.473 212 W N 0.291 121.520 121.300 -0.119 0.000 2.159 212 W HA 0.311 4.971 4.660 -0.000 0.000 0.375 212 W C 1.043 177.534 176.519 -0.047 0.000 0.794 212 W CA 0.065 57.354 57.345 -0.095 0.000 2.716 212 W CB 0.389 29.756 29.460 -0.154 0.000 1.583 212 W HN 0.199 nan 8.180 nan 0.000 0.702 213 G N 0.620 109.463 108.800 0.072 0.000 2.300 213 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.267 213 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.267 213 G C 0.278 175.234 174.900 0.094 0.000 0.980 213 G CA 0.565 45.709 45.100 0.073 0.000 0.635 213 G HN 0.278 nan 8.290 nan 0.000 0.552 214 L N 1.843 123.138 121.223 0.119 0.000 2.281 214 L HA 0.481 4.821 4.340 -0.000 0.000 0.285 214 L C 0.661 177.575 176.870 0.073 0.000 1.074 214 L CA -0.504 54.403 54.840 0.111 0.000 0.817 214 L CB 1.186 43.323 42.059 0.131 0.000 1.168 214 L HN 0.057 nan 8.230 nan 0.000 0.434 215 T N 0.843 115.432 114.554 0.059 0.000 2.923 215 T HA 0.670 5.020 4.350 -0.000 0.000 0.281 215 T C 0.154 174.878 174.700 0.041 0.000 0.995 215 T CA -0.583 61.541 62.100 0.040 0.000 0.985 215 T CB 1.935 70.820 68.868 0.028 0.000 1.114 215 T HN 0.746 nan 8.240 nan 0.000 0.548 216 T N -0.006 114.567 114.554 0.032 0.000 2.923 216 T HA 0.675 5.025 4.350 -0.000 0.000 0.311 216 T C -3.196 171.521 174.700 0.029 0.000 1.183 216 T CA -1.458 60.663 62.100 0.034 0.000 1.020 216 T CB 1.874 70.762 68.868 0.034 0.000 1.165 216 T HN 0.449 nan 8.240 nan 0.000 0.482 217 P HA 0.546 nan 4.420 nan 0.000 0.290 217 P C -0.495 176.824 177.300 0.033 0.000 1.283 217 P CA -0.422 62.696 63.100 0.031 0.000 0.869 217 P CB 1.896 33.616 31.700 0.034 0.000 1.100 218 D N 0.434 120.853 120.400 0.031 0.000 2.113 218 D HA 0.029 4.669 4.640 -0.000 0.000 0.206 218 D C 0.434 176.755 176.300 0.035 0.000 0.979 218 D CA 1.462 55.481 54.000 0.033 0.000 0.862 218 D CB 0.070 40.888 40.800 0.030 0.000 1.013 218 D HN 0.308 nan 8.370 nan 0.000 0.455 219 K N -0.201 120.219 120.400 0.033 0.000 2.482 219 K HA 0.327 4.647 4.320 -0.000 0.000 0.251 219 K C -0.215 176.408 176.600 0.038 0.000 0.936 219 K CA -0.500 55.806 56.287 0.032 0.000 0.791 219 K CB 2.009 34.525 32.500 0.026 0.000 1.213 219 K HN -0.179 nan 8.250 nan 0.000 0.428 220 K N 0.683 121.111 120.400 0.047 0.000 2.755 220 K HA 0.024 4.344 4.320 -0.000 0.000 0.214 220 K C 0.787 177.452 176.600 0.108 0.000 1.572 220 K CA 0.337 56.666 56.287 0.071 0.000 1.020 220 K CB 0.271 32.819 32.500 0.079 0.000 1.905 220 K HN 0.662 nan 8.250 nan 0.000 0.467 221 H N 0.159 119.245 119.070 0.027 0.000 2.162 221 H HA 0.307 4.863 4.556 -0.000 0.000 0.228 221 H C 0.379 175.723 175.328 0.027 0.000 0.941 221 H CA 0.141 56.205 56.048 0.026 0.000 1.213 221 H CB 0.486 30.265 29.762 0.027 0.000 1.318 221 H HN -0.045 nan 8.280 nan 0.000 0.496 222 Q N 0.984 120.356 119.800 -0.712 0.000 2.544 222 Q HA 0.143 4.483 4.340 -0.000 0.000 0.194 222 Q C -0.076 175.779 176.000 -0.242 0.000 1.104 222 Q CA -0.475 54.985 55.803 -0.572 0.000 1.131 222 Q CB 0.636 29.250 28.738 -0.206 0.000 1.210 222 Q HN 0.361 nan 8.270 nan 0.000 0.639 223 K N 0.300 120.594 120.400 -0.177 0.000 2.210 223 K HA 0.339 4.659 4.320 -0.000 0.000 0.236 223 K C -0.242 176.252 176.600 -0.177 0.000 1.016 223 K CA -0.406 55.795 56.287 -0.143 0.000 0.913 223 K CB 0.908 33.328 32.500 -0.133 0.000 1.141 223 K HN 0.401 nan 8.250 nan 0.000 0.462 224 E N 0.524 120.574 120.200 -0.250 0.000 3.751 224 E HA 0.363 4.713 4.350 -0.000 0.000 0.281 224 E C -2.074 174.020 176.600 -0.842 0.000 1.086 224 E CA -1.734 54.358 56.400 -0.513 0.000 1.579 224 E CB -0.662 28.892 29.700 -0.242 0.000 1.666 224 E HN 0.542 nan 8.360 nan 0.000 0.655 225 P HA 0.047 nan 4.420 nan 0.000 0.264 225 P C -2.428 174.682 177.300 -0.316 0.000 1.179 225 P CA -0.474 62.233 63.100 -0.656 0.000 0.763 225 P CB -0.754 30.791 31.700 -0.257 0.000 0.806 226 P HA 0.215 nan 4.420 nan 0.000 0.271 226 P C -0.662 176.450 177.300 -0.315 0.000 1.218 226 P CA 0.149 62.998 63.100 -0.418 0.000 0.780 226 P CB 0.162 31.590 31.700 -0.453 0.000 0.901 227 F N 1.384 121.341 119.950 0.012 0.000 2.411 227 F HA 0.257 4.784 4.527 -0.000 0.000 0.355 227 F C 0.816 176.752 175.800 0.227 0.000 1.117 227 F CA -0.348 57.738 58.000 0.145 0.000 1.139 227 F CB 0.479 39.618 39.000 0.232 0.000 1.120 227 F HN 0.097 nan 8.300 nan 0.000 0.493 228 L N 4.602 126.061 121.223 0.393 0.000 2.342 228 L HA 0.120 4.460 4.340 -0.000 0.000 0.285 228 L C -1.247 175.922 176.870 0.499 0.000 1.095 228 L CA -0.128 54.928 54.840 0.361 0.000 0.843 228 L CB 0.180 42.387 42.059 0.247 0.000 1.201 228 L HN 0.748 nan 8.230 nan 0.000 0.445 229 W N 7.164 128.636 121.300 0.287 0.000 2.957 229 W HA 0.332 4.992 4.660 -0.000 0.000 0.336 229 W C -0.139 176.513 176.519 0.222 0.000 1.087 229 W CA -0.868 56.611 57.345 0.222 0.000 1.235 229 W CB 1.148 30.665 29.460 0.095 0.000 1.399 229 W HN 0.344 nan 8.180 nan 0.000 0.480 230 M N 5.326 124.602 119.600 -0.539 0.000 2.173 230 M HA -0.186 4.294 4.480 -0.000 0.000 0.197 230 M C 1.161 177.411 176.300 -0.082 0.000 0.296 230 M CA 1.814 56.747 55.300 -0.611 0.000 0.385 230 M CB -2.352 29.341 32.600 -1.511 0.000 1.141 230 M HN 1.432 nan 8.290 nan 0.000 0.938 231 G N -1.783 107.026 108.800 0.015 0.000 2.153 231 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.252 231 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.252 231 G C -0.189 174.933 174.900 0.369 0.000 0.994 231 G CA 0.641 45.768 45.100 0.044 0.000 0.698 231 G HN 0.592 nan 8.290 nan 0.000 0.521 232 Y N -0.630 119.864 120.300 0.323 0.000 2.650 232 Y HA 0.704 5.254 4.550 -0.000 0.000 0.331 232 Y C 0.516 176.650 175.900 0.391 0.000 1.082 232 Y CA -1.022 57.339 58.100 0.436 0.000 1.171 232 Y CB 1.526 40.265 38.460 0.465 0.000 1.326 232 Y HN 0.114 nan 8.280 nan 0.000 0.513 233 E N 1.603 122.155 120.200 0.586 0.000 2.316 233 E HA 0.417 4.767 4.350 -0.000 0.000 0.254 233 E C -2.058 174.781 176.600 0.398 0.000 0.902 233 E CA -0.316 56.307 56.400 0.372 0.000 0.801 233 E CB 0.778 30.641 29.700 0.272 0.000 1.270 233 E HN 0.564 nan 8.360 nan 0.000 0.414 234 L N 4.967 126.388 121.223 0.330 0.000 2.282 234 L HA 0.462 4.801 4.340 -0.000 0.000 0.288 234 L C -0.118 176.859 176.870 0.179 0.000 1.033 234 L CA -0.622 54.433 54.840 0.358 0.000 0.807 234 L CB 1.053 43.327 42.059 0.358 0.000 1.209 234 L HN 0.510 nan 8.230 nan 0.000 0.423 235 H N 2.946 122.242 119.070 0.378 0.000 2.679 235 H HA 0.259 4.815 4.556 -0.000 0.000 0.367 235 H C -1.913 173.599 175.328 0.308 0.000 1.162 235 H CA -1.934 54.275 56.048 0.268 0.000 1.181 235 H CB 2.023 31.878 29.762 0.154 0.000 1.693 235 H HN 0.296 nan 8.280 nan 0.000 0.538 236 P HA -0.109 nan 4.420 nan 0.000 0.234 236 P C 0.297 177.769 177.300 0.287 0.000 1.162 236 P CA 1.350 64.631 63.100 0.303 0.000 0.759 236 P CB 0.313 32.132 31.700 0.200 0.000 0.813 237 D N -3.491 117.022 120.400 0.188 0.000 2.520 237 D HA 0.002 4.642 4.640 -0.000 0.000 0.386 237 D C 0.103 176.209 176.300 -0.325 0.000 1.267 237 D CA 0.011 53.999 54.000 -0.019 0.000 0.958 237 D CB -0.199 40.620 40.800 0.032 0.000 1.462 237 D HN 0.210 nan 8.370 nan 0.000 0.438 238 K N -0.336 119.956 120.400 -0.180 0.000 2.509 238 K HA 0.664 4.984 4.320 -0.000 0.000 0.266 238 K C -1.255 175.456 176.600 0.186 0.000 0.987 238 K CA -0.984 55.225 56.287 -0.130 0.000 0.868 238 K CB 2.394 34.925 32.500 0.051 0.000 1.421 238 K HN 0.120 nan 8.250 nan 0.000 0.444 239 W N 0.379 121.773 121.300 0.157 0.000 3.118 239 W HA 0.702 5.362 4.660 -0.000 0.000 0.328 239 W C -1.846 174.869 176.519 0.326 0.000 1.239 239 W CA -0.844 56.712 57.345 0.352 0.000 1.176 239 W CB 1.475 31.214 29.460 0.465 0.000 1.433 239 W HN 0.813 nan 8.180 nan 0.000 0.562 240 T N 0.181 114.968 114.554 0.389 0.000 2.661 240 T HA 0.424 4.774 4.350 -0.000 0.000 0.305 240 T C -1.551 173.355 174.700 0.344 0.000 1.441 240 T CA -0.314 61.787 62.100 0.002 0.000 0.999 240 T CB 1.323 70.178 68.868 -0.022 0.000 1.650 240 T HN 0.395 nan 8.240 nan 0.000 0.489 241 V N 2.821 122.836 119.914 0.168 0.000 2.785 241 V HA 0.366 4.486 4.120 -0.000 0.000 0.300 241 V C 0.392 176.646 176.094 0.265 0.000 1.062 241 V CA -0.586 61.831 62.300 0.196 0.000 1.029 241 V CB 1.319 33.226 31.823 0.140 0.000 1.024 241 V HN 0.952 nan 8.190 nan 0.000 0.477 242 Q N 5.258 125.242 119.800 0.305 0.000 2.333 242 Q HA 0.143 4.483 4.340 -0.000 0.000 0.299 242 Q C -2.241 173.875 176.000 0.193 0.000 1.067 242 Q CA -1.123 54.821 55.803 0.235 0.000 0.943 242 Q CB -0.481 28.375 28.738 0.197 0.000 1.233 242 Q HN 0.523 nan 8.270 nan 0.000 0.401 243 P HA -0.093 nan 4.420 nan 0.000 0.258 243 P C -0.510 176.847 177.300 0.095 0.000 1.172 243 P CA 0.425 63.595 63.100 0.116 0.000 0.762 243 P CB 0.123 31.876 31.700 0.089 0.000 0.764 244 I N 1.638 122.257 120.570 0.081 0.000 2.677 244 I HA 0.544 4.714 4.170 -0.000 0.000 0.305 244 I C -0.579 175.553 176.117 0.025 0.000 0.988 244 I CA -0.958 60.376 61.300 0.057 0.000 1.260 244 I CB 1.676 39.708 38.000 0.053 0.000 1.410 244 I HN 0.016 nan 8.210 nan 0.000 0.523 245 V N 6.266 126.195 119.914 0.024 0.000 2.419 245 V HA 0.326 4.446 4.120 -0.000 0.000 0.287 245 V C -0.116 175.999 176.094 0.035 0.000 1.017 245 V CA -0.447 61.866 62.300 0.021 0.000 0.844 245 V CB 1.329 33.163 31.823 0.017 0.000 1.011 245 V HN 0.574 nan 8.190 nan 0.000 0.429 246 L N 8.322 129.568 121.223 0.039 0.000 2.283 246 L HA 0.410 4.750 4.340 -0.000 0.000 0.287 246 L C -1.654 175.280 176.870 0.107 0.000 1.073 246 L CA -1.239 53.651 54.840 0.082 0.000 0.822 246 L CB 1.529 43.624 42.059 0.059 0.000 1.186 246 L HN 0.442 nan 8.230 nan 0.000 0.436 247 P HA 0.217 nan 4.420 nan 0.000 0.276 247 P C -1.006 176.392 177.300 0.162 0.000 1.252 247 P CA -0.498 62.641 63.100 0.065 0.000 0.802 247 P CB 1.332 32.997 31.700 -0.058 0.000 1.035 248 E N 1.034 121.273 120.200 0.065 0.000 2.222 248 E HA 0.472 4.822 4.350 -0.000 0.000 0.267 248 E C -0.431 176.149 176.600 -0.033 0.000 0.884 248 E CA -0.763 55.727 56.400 0.149 0.000 0.764 248 E CB 2.279 32.042 29.700 0.107 0.000 1.169 248 E HN 0.362 nan 8.360 nan 0.000 0.413 249 K N 1.173 121.561 120.400 -0.021 0.000 2.522 249 K HA 0.242 4.562 4.320 -0.000 0.000 0.275 249 K C -0.527 176.062 176.600 -0.019 0.000 1.006 249 K CA -0.764 55.376 56.287 -0.245 0.000 0.890 249 K CB 1.502 33.506 32.500 -0.827 0.000 1.475 249 K HN 0.272 nan 8.250 nan 0.000 0.441 250 D N 0.085 120.446 120.400 -0.066 0.000 2.240 250 D HA -0.045 4.595 4.640 -0.000 0.000 0.206 250 D C 0.356 176.700 176.300 0.073 0.000 0.963 250 D CA 0.921 54.938 54.000 0.028 0.000 0.863 250 D CB 0.341 41.138 40.800 -0.004 0.000 0.973 250 D HN 0.442 nan 8.370 nan 0.000 0.501 251 S N -0.846 114.845 115.700 -0.015 0.000 2.547 251 S HA 0.584 5.054 4.470 -0.000 0.000 0.281 251 S C -1.562 173.009 174.600 -0.048 0.000 1.118 251 S CA -0.961 57.273 58.200 0.057 0.000 0.947 251 S CB 1.348 64.556 63.200 0.012 0.000 1.053 251 S HN 0.050 nan 8.310 nan 0.000 0.482 252 W N 1.181 122.476 121.300 -0.007 0.000 2.702 252 W HA 0.661 5.321 4.660 -0.000 0.000 0.331 252 W C 0.238 176.753 176.519 -0.007 0.000 1.049 252 W CA -0.438 56.902 57.345 -0.008 0.000 1.230 252 W CB 2.133 31.588 29.460 -0.008 0.000 1.408 252 W HN 0.753 nan 8.180 nan 0.000 0.492 253 T N 1.439 116.096 114.554 0.172 0.000 2.888 253 T HA 0.300 4.650 4.350 -0.000 0.000 0.284 253 T C 0.981 175.750 174.700 0.114 0.000 1.017 253 T CA -0.517 61.646 62.100 0.105 0.000 1.022 253 T CB 1.311 70.204 68.868 0.041 0.000 1.013 253 T HN 0.247 nan 8.240 nan 0.000 0.465 254 V N 4.506 124.469 119.914 0.082 0.000 2.243 254 V HA -0.308 3.812 4.120 -0.000 0.000 0.258 254 V C 2.841 178.977 176.094 0.070 0.000 1.073 254 V CA 2.711 65.052 62.300 0.068 0.000 1.069 254 V CB -0.878 30.969 31.823 0.041 0.000 0.681 254 V HN 0.991 nan 8.190 nan 0.000 0.457 255 N N -0.206 118.525 118.700 0.051 0.000 2.184 255 N HA -0.234 4.506 4.740 -0.000 0.000 0.190 255 N C 1.471 177.019 175.510 0.063 0.000 1.011 255 N CA 2.258 55.332 53.050 0.041 0.000 0.867 255 N CB -0.309 38.189 38.487 0.019 0.000 0.993 255 N HN 0.581 nan 8.380 nan 0.000 0.433 256 D N 0.568 121.025 120.400 0.094 0.000 2.149 256 D HA -0.035 4.605 4.640 -0.000 0.000 0.201 256 D C 1.932 178.413 176.300 0.301 0.000 0.972 256 D CA 0.242 54.331 54.000 0.150 0.000 0.835 256 D CB -0.150 40.716 40.800 0.109 0.000 0.966 256 D HN 0.391 nan 8.370 nan 0.000 0.476 257 I N 0.518 121.249 120.570 0.268 0.000 2.439 257 I HA -0.248 3.922 4.170 -0.000 0.000 0.251 257 I C 1.936 178.115 176.117 0.103 0.000 1.139 257 I CA 0.913 62.324 61.300 0.184 0.000 1.438 257 I CB 0.148 38.203 38.000 0.091 0.000 1.085 257 I HN -0.027 nan 8.210 nan 0.000 0.427 258 Q N 0.500 120.353 119.800 0.087 0.000 1.965 258 Q HA -0.268 4.072 4.340 -0.000 0.000 0.200 258 Q C 2.177 178.212 176.000 0.059 0.000 0.981 258 Q CA 1.590 57.426 55.803 0.055 0.000 0.834 258 Q CB -0.276 28.486 28.738 0.040 0.000 0.900 258 Q HN 0.342 nan 8.270 nan 0.000 0.426 259 K N 0.461 120.898 120.400 0.063 0.000 2.286 259 K HA -0.197 4.123 4.320 -0.000 0.000 0.203 259 K C 1.964 178.610 176.600 0.076 0.000 1.045 259 K CA 0.661 56.978 56.287 0.050 0.000 0.935 259 K CB -0.044 32.479 32.500 0.038 0.000 0.737 259 K HN 0.060 nan 8.250 nan 0.000 0.460 260 L N -0.235 121.060 121.223 0.119 0.000 2.068 260 L HA -0.092 4.248 4.340 -0.000 0.000 0.204 260 L C 1.849 178.757 176.870 0.064 0.000 1.076 260 L CA 1.298 56.215 54.840 0.129 0.000 0.753 260 L CB -0.348 41.824 42.059 0.189 0.000 0.910 260 L HN -0.126 nan 8.230 nan 0.000 0.439 261 V N 0.504 120.444 119.914 0.044 0.000 2.261 261 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 261 V C 2.665 178.790 176.094 0.052 0.000 1.047 261 V CA 1.826 64.143 62.300 0.028 0.000 1.015 261 V CB -1.742 30.091 31.823 0.017 0.000 0.642 261 V HN 0.632 nan 8.190 nan 0.000 0.446 262 G N -0.058 108.775 108.800 0.056 0.000 2.529 262 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.219 262 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.219 262 G C 1.633 176.599 174.900 0.111 0.000 1.177 262 G CA 1.306 46.449 45.100 0.070 0.000 0.773 262 G HN 0.487 nan 8.290 nan 0.000 0.573 263 K N -0.168 120.285 120.400 0.089 0.000 2.113 263 K HA -0.010 4.310 4.320 -0.000 0.000 0.208 263 K C 2.570 179.265 176.600 0.157 0.000 1.047 263 K CA 0.956 57.317 56.287 0.122 0.000 0.928 263 K CB -0.308 32.236 32.500 0.074 0.000 0.716 263 K HN 0.296 nan 8.250 nan 0.000 0.446 264 L N 1.184 122.463 121.223 0.092 0.000 2.017 264 L HA -0.237 4.103 4.340 -0.000 0.000 0.208 264 L C 2.019 178.936 176.870 0.078 0.000 1.073 264 L CA 1.106 55.979 54.840 0.056 0.000 0.745 264 L CB -0.571 41.500 42.059 0.020 0.000 0.894 264 L HN 0.246 nan 8.230 nan 0.000 0.432 265 N N -0.413 118.348 118.700 0.102 0.000 2.043 265 N HA -0.287 4.452 4.740 -0.000 0.000 0.193 265 N C 1.530 177.115 175.510 0.125 0.000 1.037 265 N CA 1.577 54.689 53.050 0.104 0.000 0.851 265 N CB -0.730 37.831 38.487 0.124 0.000 1.027 265 N HN 0.497 nan 8.380 nan 0.000 0.422 266 W N 1.954 123.265 121.300 0.019 0.000 2.305 266 W HA -0.207 4.453 4.660 -0.000 0.000 0.308 266 W C 1.824 178.363 176.519 0.035 0.000 1.226 266 W CA 2.049 59.400 57.345 0.009 0.000 1.253 266 W CB -0.188 29.257 29.460 -0.025 0.000 1.146 266 W HN 0.094 nan 8.180 nan 0.000 0.507 267 A N -0.487 122.367 122.820 0.056 0.000 2.119 267 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 267 A C 1.956 179.581 177.584 0.068 0.000 1.152 267 A CA 1.562 53.614 52.037 0.025 0.000 0.708 267 A CB -0.914 18.067 19.000 -0.032 0.000 0.805 267 A HN 0.259 nan 8.150 nan 0.000 0.460 268 S N -0.267 115.446 115.700 0.021 0.000 2.453 268 S HA -0.178 4.292 4.470 -0.000 0.000 0.231 268 S C 1.906 176.519 174.600 0.021 0.000 1.005 268 S CA 1.264 59.482 58.200 0.031 0.000 0.949 268 S CB -0.413 62.790 63.200 0.005 0.000 0.774 268 S HN 0.708 nan 8.310 nan 0.000 0.510 269 Q N -0.386 119.414 119.800 0.001 0.000 2.268 269 Q HA -0.132 4.208 4.340 -0.000 0.000 0.210 269 Q C 1.590 177.722 176.000 0.221 0.000 0.988 269 Q CA 1.621 57.501 55.803 0.129 0.000 0.883 269 Q CB -0.111 28.724 28.738 0.162 0.000 0.911 269 Q HN 0.619 nan 8.270 nan 0.000 0.430 270 I N -2.798 117.834 120.570 0.103 0.000 4.922 270 I HA 0.068 4.238 4.170 -0.000 0.000 0.331 270 I C -0.744 175.293 176.117 -0.134 0.000 1.260 270 I CA -0.240 61.034 61.300 -0.042 0.000 1.366 270 I CB 0.852 38.663 38.000 -0.315 0.000 1.386 270 I HN -0.102 nan 8.210 nan 0.000 0.483 271 Y N 4.269 124.533 120.300 -0.061 0.000 2.539 271 Y HA 0.386 4.936 4.550 -0.000 0.000 0.352 271 Y C -1.997 173.878 175.900 -0.041 0.000 1.004 271 Y CA -2.232 55.839 58.100 -0.049 0.000 1.278 271 Y CB -0.291 38.147 38.460 -0.037 0.000 1.136 271 Y HN 0.088 nan 8.280 nan 0.000 0.528 272 P HA -0.026 nan 4.420 nan 0.000 0.269 272 P C 0.852 178.181 177.300 0.048 0.000 1.211 272 P CA 1.141 64.261 63.100 0.033 0.000 0.781 272 P CB 0.619 32.326 31.700 0.011 0.000 0.877 273 G N 1.362 110.175 108.800 0.023 0.000 2.225 273 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.272 273 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.272 273 G C 0.366 175.274 174.900 0.014 0.000 0.996 273 G CA -0.191 44.919 45.100 0.016 0.000 0.710 273 G HN 0.506 nan 8.290 nan 0.000 0.522 274 I N 0.264 120.847 120.570 0.021 0.000 2.648 274 I HA 0.148 4.318 4.170 -0.000 0.000 0.284 274 I C 0.906 177.021 176.117 -0.004 0.000 1.153 274 I CA 0.628 61.932 61.300 0.007 0.000 1.426 274 I CB 0.640 38.645 38.000 0.009 0.000 1.381 274 I HN 0.120 nan 8.210 nan 0.000 0.571 275 K N 4.462 124.853 120.400 -0.015 0.000 2.211 275 K HA 0.608 4.928 4.320 -0.000 0.000 0.237 275 K C -0.099 176.487 176.600 -0.024 0.000 1.002 275 K CA -0.666 55.609 56.287 -0.020 0.000 0.885 275 K CB 2.231 34.713 32.500 -0.030 0.000 1.136 275 K HN 0.331 nan 8.250 nan 0.000 0.448 276 V N 0.158 120.057 119.914 -0.025 0.000 3.777 276 V HA 0.045 4.165 4.120 -0.000 0.000 0.285 276 V C 1.436 177.510 176.094 -0.033 0.000 1.668 276 V CA -0.257 62.026 62.300 -0.028 0.000 1.178 276 V CB 0.283 32.098 31.823 -0.012 0.000 0.962 276 V HN 0.712 nan 8.190 nan 0.000 0.411 277 R N 0.931 121.411 120.500 -0.034 0.000 2.103 277 R HA -0.224 4.116 4.340 -0.000 0.000 0.242 277 R C 2.124 178.399 176.300 -0.041 0.000 1.142 277 R CA 2.212 58.291 56.100 -0.035 0.000 0.960 277 R CB 0.159 30.438 30.300 -0.035 0.000 0.858 277 R HN 0.517 nan 8.270 nan 0.000 0.439 278 Q N 0.350 120.120 119.800 -0.050 0.000 2.008 278 Q HA -0.091 4.249 4.340 -0.000 0.000 0.196 278 Q C 2.363 178.321 176.000 -0.070 0.000 0.973 278 Q CA 1.101 56.869 55.803 -0.059 0.000 0.826 278 Q CB -0.419 28.279 28.738 -0.068 0.000 0.894 278 Q HN 0.395 nan 8.270 nan 0.000 0.439 279 L N 0.972 122.143 121.223 -0.085 0.000 2.261 279 L HA -0.151 4.189 4.340 -0.000 0.000 0.216 279 L C 2.123 178.952 176.870 -0.068 0.000 1.114 279 L CA 0.980 55.758 54.840 -0.103 0.000 0.777 279 L CB -0.361 41.622 42.059 -0.126 0.000 0.910 279 L HN 0.107 nan 8.230 nan 0.000 0.440 280 S N -0.889 114.783 115.700 -0.047 0.000 2.470 280 S HA -0.071 4.399 4.470 -0.000 0.000 0.222 280 S C 1.877 176.461 174.600 -0.026 0.000 1.024 280 S CA 0.283 58.466 58.200 -0.028 0.000 0.931 280 S CB 0.128 63.316 63.200 -0.019 0.000 0.791 280 S HN 0.321 nan 8.310 nan 0.000 0.513 281 K N 1.763 122.143 120.400 -0.033 0.000 2.147 281 K HA -0.018 4.302 4.320 -0.000 0.000 0.205 281 K C 1.755 178.338 176.600 -0.028 0.000 1.049 281 K CA 0.947 57.216 56.287 -0.030 0.000 0.936 281 K CB -0.232 32.247 32.500 -0.035 0.000 0.722 281 K HN 0.312 nan 8.250 nan 0.000 0.446 282 L N 0.357 121.559 121.223 -0.035 0.000 2.056 282 L HA -0.144 4.196 4.340 -0.000 0.000 0.207 282 L C 2.247 179.108 176.870 -0.017 0.000 1.078 282 L CA 0.495 55.316 54.840 -0.031 0.000 0.749 282 L CB -0.478 41.553 42.059 -0.048 0.000 0.901 282 L HN 0.205 nan 8.230 nan 0.000 0.433 283 L N 0.227 121.442 121.223 -0.014 0.000 2.622 283 L HA -0.031 4.309 4.340 -0.000 0.000 0.233 283 L C 2.254 179.123 176.870 -0.001 0.000 1.156 283 L CA 1.023 55.862 54.840 -0.002 0.000 0.866 283 L CB -0.725 41.335 42.059 0.003 0.000 0.980 283 L HN 0.062 nan 8.230 nan 0.000 0.448 284 R N -0.474 120.023 120.500 -0.006 0.000 2.377 284 R HA 0.001 4.341 4.340 -0.000 0.000 0.207 284 R C 0.685 176.984 176.300 -0.001 0.000 1.075 284 R CA 0.640 56.738 56.100 -0.004 0.000 1.035 284 R CB -0.375 29.919 30.300 -0.009 0.000 0.857 284 R HN 0.456 nan 8.270 nan 0.000 0.475 285 G N -0.243 108.557 108.800 0.001 0.000 2.716 285 G HA2 0.113 4.073 3.960 -0.000 0.000 0.333 285 G HA3 0.113 4.073 3.960 -0.000 0.000 0.333 285 G C 0.193 175.097 174.900 0.006 0.000 1.168 285 G CA -0.491 44.611 45.100 0.003 0.000 1.064 285 G HN -0.018 nan 8.290 nan 0.000 0.479 286 T N 2.199 116.756 114.554 0.006 0.000 3.308 286 T HA -0.040 4.310 4.350 -0.000 0.000 0.255 286 T C 2.289 176.994 174.700 0.008 0.000 1.162 286 T CA 0.473 62.577 62.100 0.007 0.000 1.031 286 T CB -0.019 68.853 68.868 0.007 0.000 0.973 286 T HN 0.624 nan 8.240 nan 0.000 0.544 287 K N 2.046 122.451 120.400 0.008 0.000 2.025 287 K HA 0.291 4.611 4.320 -0.000 0.000 0.211 287 K C 1.293 177.898 176.600 0.008 0.000 1.029 287 K CA 0.424 56.715 56.287 0.007 0.000 0.948 287 K CB -1.058 31.446 32.500 0.006 0.000 0.768 287 K HN 0.195 nan 8.250 nan 0.000 0.446 288 A N 0.894 123.720 122.820 0.010 0.000 2.409 288 A HA 0.300 4.620 4.320 -0.000 0.000 0.246 288 A C 0.948 178.540 177.584 0.013 0.000 1.099 288 A CA -0.110 51.934 52.037 0.011 0.000 0.789 288 A CB 0.134 19.142 19.000 0.013 0.000 1.053 288 A HN 0.422 nan 8.150 nan 0.000 0.503 289 L N -0.703 120.527 121.223 0.012 0.000 2.717 289 L HA 0.236 4.576 4.340 -0.000 0.000 0.239 289 L C 1.405 178.284 176.870 0.014 0.000 1.086 289 L CA 1.529 56.376 54.840 0.012 0.000 0.897 289 L CB 0.630 42.693 42.059 0.006 0.000 1.214 289 L HN 0.702 nan 8.230 nan 0.000 0.508 290 T N -1.068 113.494 114.554 0.013 0.000 3.170 290 T HA 0.139 4.489 4.350 -0.000 0.000 0.288 290 T C 0.358 175.068 174.700 0.017 0.000 0.992 290 T CA -0.322 61.785 62.100 0.012 0.000 0.909 290 T CB 0.313 69.183 68.868 0.003 0.000 1.133 290 T HN 0.146 nan 8.240 nan 0.000 0.530 291 E N 2.259 122.471 120.200 0.020 0.000 2.376 291 E HA 0.197 4.547 4.350 -0.000 0.000 0.266 291 E C -0.513 176.107 176.600 0.034 0.000 1.009 291 E CA -0.106 56.307 56.400 0.022 0.000 0.902 291 E CB 0.635 30.347 29.700 0.020 0.000 0.972 291 E HN 0.032 nan 8.360 nan 0.000 0.439 292 V N 6.238 126.174 119.914 0.035 0.000 2.607 292 V HA 0.268 4.387 4.120 -0.000 0.000 0.289 292 V C 0.390 176.518 176.094 0.057 0.000 1.053 292 V CA -0.275 62.057 62.300 0.054 0.000 0.996 292 V CB 1.064 32.916 31.823 0.049 0.000 0.995 292 V HN 0.570 nan 8.190 nan 0.000 0.476 293 I N 6.149 126.767 120.570 0.081 0.000 2.418 293 I HA 0.366 4.536 4.170 -0.000 0.000 0.287 293 I C -2.237 173.918 176.117 0.063 0.000 1.008 293 I CA -1.926 59.408 61.300 0.058 0.000 1.104 293 I CB 2.544 40.569 38.000 0.042 0.000 1.264 293 I HN 0.476 nan 8.210 nan 0.000 0.438 294 P HA 0.116 nan 4.420 nan 0.000 0.274 294 P C -0.493 176.799 177.300 -0.014 0.000 1.291 294 P CA -0.494 62.623 63.100 0.029 0.000 0.815 294 P CB 0.685 32.397 31.700 0.020 0.000 0.897 295 L N 4.452 125.648 121.223 -0.046 0.000 2.780 295 L HA -0.042 4.298 4.340 -0.000 0.000 0.275 295 L C 1.618 178.436 176.870 -0.086 0.000 1.153 295 L CA 1.128 55.886 54.840 -0.137 0.000 0.993 295 L CB -1.085 40.825 42.059 -0.248 0.000 1.319 295 L HN 0.475 nan 8.230 nan 0.000 0.479 296 T N 0.367 114.874 114.554 -0.077 0.000 2.589 296 T HA 0.011 4.361 4.350 -0.000 0.000 0.342 296 T C 1.207 175.871 174.700 -0.061 0.000 1.044 296 T CA -0.385 61.681 62.100 -0.055 0.000 1.020 296 T CB 0.511 69.349 68.868 -0.049 0.000 1.070 296 T HN 0.535 nan 8.240 nan 0.000 0.524 297 E N 0.687 120.860 120.200 -0.046 0.000 2.051 297 E HA -0.070 4.279 4.350 -0.000 0.000 0.192 297 E C 2.239 178.807 176.600 -0.052 0.000 0.991 297 E CA 1.382 57.756 56.400 -0.043 0.000 0.799 297 E CB -0.367 29.314 29.700 -0.032 0.000 0.748 297 E HN 0.726 nan 8.360 nan 0.000 0.449 298 E N 0.908 121.075 120.200 -0.054 0.000 2.028 298 E HA -0.087 4.263 4.350 -0.000 0.000 0.191 298 E C 2.033 178.588 176.600 -0.075 0.000 0.988 298 E CA 1.270 57.636 56.400 -0.057 0.000 0.799 298 E CB -0.847 28.822 29.700 -0.051 0.000 0.755 298 E HN 0.253 nan 8.360 nan 0.000 0.447 299 A N 1.774 124.540 122.820 -0.090 0.000 1.896 299 A HA -0.362 3.958 4.320 -0.000 0.000 0.220 299 A C 2.242 179.738 177.584 -0.146 0.000 1.206 299 A CA 2.248 54.210 52.037 -0.126 0.000 0.647 299 A CB -0.727 18.182 19.000 -0.152 0.000 0.828 299 A HN 0.245 nan 8.150 nan 0.000 0.455 300 E N -0.264 119.853 120.200 -0.139 0.000 2.023 300 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 300 E C 2.004 178.549 176.600 -0.091 0.000 1.003 300 E CA 1.727 58.050 56.400 -0.129 0.000 0.809 300 E CB -0.604 29.041 29.700 -0.091 0.000 0.755 300 E HN 0.449 nan 8.360 nan 0.000 0.449 301 L N 1.891 123.073 121.223 -0.069 0.000 2.021 301 L HA -0.233 4.107 4.340 -0.000 0.000 0.215 301 L C 2.328 179.163 176.870 -0.057 0.000 1.074 301 L CA 2.654 57.462 54.840 -0.053 0.000 0.760 301 L CB -1.076 40.956 42.059 -0.044 0.000 0.889 301 L HN 0.248 nan 8.230 nan 0.000 0.433 302 E N -0.922 119.237 120.200 -0.069 0.000 2.023 302 E HA -0.283 4.067 4.350 -0.000 0.000 0.196 302 E C 2.236 178.792 176.600 -0.073 0.000 1.003 302 E CA 1.662 58.022 56.400 -0.067 0.000 0.809 302 E CB -0.399 29.256 29.700 -0.074 0.000 0.755 302 E HN 0.430 nan 8.360 nan 0.000 0.449 303 L N 1.140 122.302 121.223 -0.102 0.000 2.034 303 L HA -0.272 4.068 4.340 -0.000 0.000 0.217 303 L C 2.196 179.025 176.870 -0.069 0.000 1.077 303 L CA 2.505 57.279 54.840 -0.109 0.000 0.769 303 L CB -1.149 40.803 42.059 -0.178 0.000 0.890 303 L HN 0.256 nan 8.230 nan 0.000 0.435 304 A N -0.396 122.389 122.820 -0.059 0.000 1.842 304 A HA -0.312 4.008 4.320 -0.000 0.000 0.217 304 A C 2.027 179.593 177.584 -0.030 0.000 1.206 304 A CA 2.213 54.229 52.037 -0.034 0.000 0.630 304 A CB -1.071 17.912 19.000 -0.030 0.000 0.839 304 A HN 0.656 nan 8.150 nan 0.000 0.447 305 E N -0.235 119.946 120.200 -0.032 0.000 2.208 305 E HA -0.247 4.103 4.350 -0.000 0.000 0.202 305 E C 1.618 178.202 176.600 -0.027 0.000 1.014 305 E CA 1.191 57.575 56.400 -0.025 0.000 0.819 305 E CB -0.396 29.288 29.700 -0.027 0.000 0.735 305 E HN 0.545 nan 8.360 nan 0.000 0.469 306 N N 0.580 119.257 118.700 -0.038 0.000 2.331 306 N HA -0.062 4.678 4.740 -0.000 0.000 0.180 306 N C 1.615 177.092 175.510 -0.055 0.000 1.019 306 N CA 0.654 53.675 53.050 -0.048 0.000 0.881 306 N CB 0.007 38.461 38.487 -0.055 0.000 0.972 306 N HN 0.204 nan 8.380 nan 0.000 0.435 307 R N 0.527 121.004 120.500 -0.039 0.000 2.073 307 R HA -0.046 4.294 4.340 -0.000 0.000 0.229 307 R C 1.848 178.134 176.300 -0.023 0.000 1.120 307 R CA 0.804 56.885 56.100 -0.032 0.000 0.967 307 R CB -0.107 30.186 30.300 -0.012 0.000 0.862 307 R HN 0.098 nan 8.270 nan 0.000 0.436 308 E N 1.117 121.310 120.200 -0.012 0.000 2.118 308 E HA -0.156 4.194 4.350 -0.000 0.000 0.195 308 E C 1.638 178.246 176.600 0.014 0.000 0.992 308 E CA 1.196 57.597 56.400 0.002 0.000 0.804 308 E CB -0.089 29.612 29.700 0.003 0.000 0.741 308 E HN 0.271 nan 8.360 nan 0.000 0.458 309 I N -0.228 120.345 120.570 0.005 0.000 2.133 309 I HA -0.259 3.911 4.170 -0.000 0.000 0.238 309 I C 2.070 178.206 176.117 0.033 0.000 1.074 309 I CA 0.978 62.302 61.300 0.039 0.000 1.342 309 I CB -0.221 37.793 38.000 0.024 0.000 1.053 309 I HN 0.139 nan 8.210 nan 0.000 0.404 310 L N 0.539 121.684 121.223 -0.131 0.000 2.362 310 L HA -0.182 4.158 4.340 -0.000 0.000 0.219 310 L C 2.423 179.261 176.870 -0.054 0.000 1.134 310 L CA 0.787 55.457 54.840 -0.283 0.000 0.807 310 L CB -0.568 41.294 42.059 -0.327 0.000 0.927 310 L HN 0.222 nan 8.230 nan 0.000 0.447 311 K N 1.144 121.544 120.400 0.000 0.000 2.001 311 K HA -0.184 4.135 4.320 -0.000 0.000 0.214 311 K C 0.897 177.536 176.600 0.066 0.000 1.050 311 K CA 1.345 57.648 56.287 0.027 0.000 0.934 311 K CB -0.057 32.458 32.500 0.024 0.000 0.718 311 K HN 0.325 nan 8.250 nan 0.000 0.443 312 E N 2.372 122.632 120.200 0.100 0.000 2.290 312 E HA 0.127 4.477 4.350 -0.000 0.000 0.277 312 E C -2.479 174.239 176.600 0.195 0.000 1.035 312 E CA -2.173 54.295 56.400 0.114 0.000 0.873 312 E CB 0.765 30.523 29.700 0.096 0.000 1.029 312 E HN 0.101 nan 8.360 nan 0.000 0.419 313 P HA 0.153 nan 4.420 nan 0.000 0.272 313 P C -0.552 176.755 177.300 0.011 0.000 1.230 313 P CA -0.499 62.685 63.100 0.140 0.000 0.788 313 P CB 1.010 32.745 31.700 0.060 0.000 0.949 314 V N 1.309 121.116 119.914 -0.178 0.000 2.969 314 V HA 0.369 4.489 4.120 -0.000 0.000 0.304 314 V C -0.460 175.451 176.094 -0.304 0.000 1.192 314 V CA -0.571 61.534 62.300 -0.325 0.000 0.962 314 V CB 2.072 33.474 31.823 -0.701 0.000 1.045 314 V HN 0.915 nan 8.190 nan 0.000 0.428 315 H N 1.038 119.860 119.070 -0.414 0.000 2.946 315 H HA 0.927 5.483 4.556 -0.000 0.000 0.365 315 H C -0.248 174.770 175.328 -0.517 0.000 1.197 315 H CA -0.692 55.072 56.048 -0.472 0.000 1.131 315 H CB 2.374 31.940 29.762 -0.328 0.000 1.849 315 H HN 0.865 nan 8.280 nan 0.000 0.555 316 G N 0.495 108.790 108.800 -0.841 0.000 2.453 316 G HA2 0.473 4.433 3.960 -0.000 0.000 0.323 316 G HA3 0.473 4.433 3.960 -0.000 0.000 0.323 316 G C -1.054 173.619 174.900 -0.377 0.000 1.198 316 G CA -0.718 43.962 45.100 -0.700 0.000 0.959 316 G HN 0.552 nan 8.290 nan 0.000 0.482 317 V N 0.275 120.139 119.914 -0.084 0.000 3.403 317 V HA 0.550 4.670 4.120 -0.000 0.000 0.305 317 V C -0.257 176.027 176.094 0.317 0.000 1.060 317 V CA -0.715 61.578 62.300 -0.012 0.000 1.053 317 V CB 1.148 32.972 31.823 0.002 0.000 1.198 317 V HN 0.666 nan 8.190 nan 0.000 0.447 318 Y N 0.132 120.611 120.300 0.299 0.000 2.593 318 Y HA 0.375 4.925 4.550 -0.000 0.000 0.330 318 Y C -0.812 175.260 175.900 0.286 0.000 1.223 318 Y CA -0.795 57.488 58.100 0.305 0.000 1.350 318 Y CB 1.140 39.737 38.460 0.228 0.000 1.499 318 Y HN 0.582 nan 8.280 nan 0.000 0.554 319 Y N 1.727 122.228 120.300 0.336 0.000 2.328 319 Y HA 0.233 4.783 4.550 -0.000 0.000 0.337 319 Y C -1.010 174.963 175.900 0.122 0.000 1.008 319 Y CA -1.406 56.804 58.100 0.184 0.000 1.129 319 Y CB 0.923 39.525 38.460 0.237 0.000 1.185 319 Y HN 0.437 nan 8.280 nan 0.000 0.476 320 D N 8.634 128.763 120.400 -0.451 0.000 2.453 320 D HA 0.340 4.980 4.640 -0.000 0.000 0.238 320 D C -2.116 173.666 176.300 -0.863 0.000 1.088 320 D CA -2.628 51.095 54.000 -0.463 0.000 0.854 320 D CB 1.771 42.455 40.800 -0.193 0.000 1.076 320 D HN 0.334 nan 8.370 nan 0.000 0.533 321 P HA -0.122 nan 4.420 nan 0.000 0.236 321 P C 0.826 177.963 177.300 -0.272 0.000 1.172 321 P CA 0.577 63.315 63.100 -0.605 0.000 0.759 321 P CB 0.155 31.731 31.700 -0.207 0.000 0.843 322 S N -1.713 113.847 115.700 -0.234 0.000 2.446 322 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 322 S C 1.061 175.590 174.600 -0.118 0.000 1.016 322 S CA 0.098 58.220 58.200 -0.130 0.000 0.943 322 S CB -0.364 62.776 63.200 -0.100 0.000 0.786 322 S HN 0.131 nan 8.310 nan 0.000 0.508 323 K N 1.215 121.520 120.400 -0.159 0.000 2.148 323 K HA 0.403 4.723 4.320 -0.000 0.000 0.239 323 K C -0.859 175.680 176.600 -0.102 0.000 1.018 323 K CA -0.810 55.409 56.287 -0.113 0.000 0.923 323 K CB 0.252 32.691 32.500 -0.102 0.000 1.117 323 K HN 0.134 nan 8.250 nan 0.000 0.477 324 D N 0.620 120.974 120.400 -0.078 0.000 2.348 324 D HA 0.214 4.854 4.640 -0.000 0.000 0.249 324 D C -0.774 175.453 176.300 -0.122 0.000 1.110 324 D CA -0.368 53.581 54.000 -0.086 0.000 0.967 324 D CB 0.833 41.580 40.800 -0.089 0.000 1.139 324 D HN 0.058 nan 8.370 nan 0.000 0.466 325 L N 1.590 122.700 121.223 -0.187 0.000 2.298 325 L HA 0.381 4.721 4.340 -0.000 0.000 0.284 325 L C -1.204 175.410 176.870 -0.428 0.000 1.013 325 L CA -0.368 54.264 54.840 -0.347 0.000 0.824 325 L CB 0.852 42.656 42.059 -0.424 0.000 1.221 325 L HN 0.197 nan 8.230 nan 0.000 0.418 326 I N 4.213 124.458 120.570 -0.541 0.000 2.797 326 I HA 0.882 5.052 4.170 -0.000 0.000 0.307 326 I C -0.197 175.453 176.117 -0.778 0.000 1.033 326 I CA -0.511 60.408 61.300 -0.635 0.000 1.071 326 I CB 2.026 39.609 38.000 -0.695 0.000 1.255 326 I HN 0.650 nan 8.210 nan 0.000 0.445 327 A N 3.131 125.563 122.820 -0.647 0.000 2.459 327 A HA 0.811 5.131 4.320 -0.000 0.000 0.296 327 A C -1.063 176.454 177.584 -0.112 0.000 1.039 327 A CA -0.487 51.279 52.037 -0.452 0.000 0.698 327 A CB 1.246 19.877 19.000 -0.614 0.000 1.261 327 A HN 0.695 nan 8.150 nan 0.000 0.405 328 E N 1.206 121.423 120.200 0.028 0.000 2.248 328 E HA 0.685 5.035 4.350 -0.000 0.000 0.267 328 E C -1.368 175.381 176.600 0.247 0.000 0.877 328 E CA -0.464 56.031 56.400 0.158 0.000 0.759 328 E CB 2.176 31.976 29.700 0.166 0.000 1.182 328 E HN 0.630 nan 8.360 nan 0.000 0.418 329 I N 2.810 123.528 120.570 0.247 0.000 2.689 329 I HA 0.317 4.487 4.170 -0.000 0.000 0.299 329 I C -0.716 175.565 176.117 0.272 0.000 1.059 329 I CA -0.838 60.647 61.300 0.309 0.000 1.055 329 I CB 1.806 39.989 38.000 0.304 0.000 1.243 329 I HN 0.356 nan 8.210 nan 0.000 0.425 330 Q N 4.480 124.436 119.800 0.260 0.000 2.345 330 Q HA 0.409 4.749 4.340 -0.000 0.000 0.275 330 Q C -1.362 174.608 176.000 -0.050 0.000 1.063 330 Q CA -1.104 54.768 55.803 0.114 0.000 0.819 330 Q CB 2.795 31.567 28.738 0.056 0.000 1.356 330 Q HN 0.545 nan 8.270 nan 0.000 0.418 331 K N 1.657 121.841 120.400 -0.360 0.000 2.297 331 K HA 0.138 4.458 4.320 -0.000 0.000 0.286 331 K C 0.290 176.585 176.600 -0.508 0.000 1.053 331 K CA 0.167 55.888 56.287 -0.944 0.000 0.940 331 K CB 0.840 32.627 32.500 -1.188 0.000 1.019 331 K HN 0.655 nan 8.250 nan 0.000 0.475 332 Q N 2.340 121.861 119.800 -0.465 0.000 2.354 332 Q HA 0.084 4.424 4.340 -0.000 0.000 0.203 332 Q C 0.847 176.716 176.000 -0.218 0.000 0.933 332 Q CA 0.822 56.481 55.803 -0.241 0.000 0.901 332 Q CB 0.529 29.179 28.738 -0.148 0.000 1.007 332 Q HN 1.131 nan 8.270 nan 0.000 0.495 333 G N 0.373 108.998 108.800 -0.293 0.000 2.316 333 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.203 333 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.203 333 G C 0.599 175.436 174.900 -0.106 0.000 0.999 333 G CA -0.107 44.886 45.100 -0.178 0.000 0.649 333 G HN 0.296 nan 8.290 nan 0.000 0.489 334 Q N 0.046 119.792 119.800 -0.091 0.000 2.189 334 Q HA 0.482 4.822 4.340 -0.000 0.000 0.221 334 Q C 1.459 177.454 176.000 -0.009 0.000 0.848 334 Q CA 0.551 56.328 55.803 -0.044 0.000 1.007 334 Q CB 0.919 29.630 28.738 -0.044 0.000 1.116 334 Q HN 1.458 nan 8.270 nan 0.000 0.481 335 G N 0.474 109.283 108.800 0.014 0.000 2.163 335 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.213 335 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.213 335 G C -0.133 174.859 174.900 0.154 0.000 0.991 335 G CA -0.534 44.644 45.100 0.131 0.000 0.653 335 G HN 0.306 nan 8.290 nan 0.000 0.518 336 Q N -0.858 118.940 119.800 -0.003 0.000 2.256 336 Q HA 0.616 4.956 4.340 -0.000 0.000 0.257 336 Q C -0.867 175.023 176.000 -0.183 0.000 0.936 336 Q CA -0.512 55.294 55.803 0.005 0.000 0.903 336 Q CB 1.232 29.945 28.738 -0.041 0.000 1.263 336 Q HN 0.344 nan 8.270 nan 0.000 0.440 337 W N 0.717 122.055 121.300 0.063 0.000 2.936 337 W HA 0.462 5.122 4.660 -0.000 0.000 0.338 337 W C -0.488 176.113 176.519 0.136 0.000 1.121 337 W CA -0.435 56.986 57.345 0.126 0.000 1.209 337 W CB 1.936 31.529 29.460 0.220 0.000 1.420 337 W HN 0.507 nan 8.180 nan 0.000 0.516 338 T N -0.437 114.306 114.554 0.316 0.000 2.906 338 T HA 0.844 5.194 4.350 -0.000 0.000 0.295 338 T C -1.287 173.603 174.700 0.317 0.000 1.075 338 T CA -0.894 61.334 62.100 0.214 0.000 1.005 338 T CB 2.131 71.051 68.868 0.086 0.000 1.136 338 T HN 0.545 nan 8.240 nan 0.000 0.498 339 Y N -0.826 119.578 120.300 0.173 0.000 2.609 339 Y HA 0.724 5.274 4.550 -0.000 0.000 0.336 339 Y C -1.569 174.413 175.900 0.136 0.000 1.129 339 Y CA -1.320 56.876 58.100 0.159 0.000 1.040 339 Y CB 1.681 40.246 38.460 0.176 0.000 1.310 339 Y HN 0.814 nan 8.280 nan 0.000 0.460 340 Q N 3.316 123.350 119.800 0.390 0.000 2.315 340 Q HA 0.574 4.914 4.340 -0.000 0.000 0.273 340 Q C -1.823 174.328 176.000 0.251 0.000 1.053 340 Q CA -0.789 55.189 55.803 0.292 0.000 0.817 340 Q CB 3.115 31.980 28.738 0.212 0.000 1.326 340 Q HN 0.928 nan 8.270 nan 0.000 0.423 341 I N 3.654 124.345 120.570 0.202 0.000 2.378 341 I HA 0.516 4.686 4.170 -0.000 0.000 0.291 341 I C -0.952 175.131 176.117 -0.058 0.000 0.992 341 I CA -0.895 60.364 61.300 -0.068 0.000 1.154 341 I CB 0.880 38.880 38.000 -0.001 0.000 1.315 341 I HN 0.697 nan 8.210 nan 0.000 0.448 342 Y N 3.371 123.597 120.300 -0.123 0.000 2.829 342 Y HA 0.544 5.094 4.550 -0.000 0.000 0.322 342 Y C -0.179 175.630 175.900 -0.153 0.000 1.357 342 Y CA -0.939 57.095 58.100 -0.109 0.000 1.081 342 Y CB 1.012 39.423 38.460 -0.081 0.000 1.339 342 Y HN 0.434 nan 8.280 nan 0.000 0.469 343 Q N -0.858 119.078 119.800 0.227 0.000 2.279 343 Q HA 0.261 4.600 4.340 -0.000 0.000 0.261 343 Q C -0.855 175.248 176.000 0.172 0.000 0.796 343 Q CA -0.011 55.855 55.803 0.106 0.000 0.971 343 Q CB 1.579 30.325 28.738 0.013 0.000 1.179 343 Q HN 0.571 nan 8.270 nan 0.000 0.505 344 E N 0.808 121.100 120.200 0.152 0.000 2.222 344 E HA 0.220 4.570 4.350 -0.000 0.000 0.267 344 E C -2.195 174.267 176.600 -0.231 0.000 0.884 344 E CA -2.011 54.389 56.400 0.002 0.000 0.764 344 E CB 1.723 31.432 29.700 0.016 0.000 1.169 344 E HN -0.163 nan 8.360 nan 0.000 0.413 345 P HA -0.154 nan 4.420 nan 0.000 0.218 345 P C 0.488 177.247 177.300 -0.902 0.000 1.147 345 P CA 1.482 64.183 63.100 -0.665 0.000 0.827 345 P CB 0.144 31.559 31.700 -0.475 0.000 0.778 346 F N -1.963 117.850 119.950 -0.228 0.000 2.536 346 F HA 0.259 4.786 4.527 -0.000 0.000 0.278 346 F C 1.339 177.026 175.800 -0.188 0.000 0.945 346 F CA 0.022 57.910 58.000 -0.186 0.000 1.244 346 F CB -0.411 38.510 39.000 -0.133 0.000 1.118 346 F HN -0.449 nan 8.300 nan 0.000 0.725 347 K N 0.861 121.249 120.400 -0.020 0.000 2.118 347 K HA 0.216 4.536 4.320 -0.000 0.000 0.264 347 K C -0.290 176.243 176.600 -0.112 0.000 1.000 347 K CA -0.297 55.903 56.287 -0.144 0.000 0.929 347 K CB 0.428 32.796 32.500 -0.220 0.000 1.021 347 K HN -0.092 nan 8.250 nan 0.000 0.463 348 N N 1.356 119.990 118.700 -0.109 0.000 2.491 348 N HA 0.202 4.942 4.740 -0.000 0.000 0.279 348 N C 0.166 175.747 175.510 0.118 0.000 1.236 348 N CA -0.392 52.678 53.050 0.033 0.000 0.982 348 N CB 0.885 39.398 38.487 0.045 0.000 1.194 348 N HN 0.340 nan 8.380 nan 0.000 0.582 349 L N 0.086 121.445 121.223 0.226 0.000 2.362 349 L HA 0.349 4.689 4.340 -0.000 0.000 0.204 349 L C 0.289 177.479 176.870 0.534 0.000 1.060 349 L CA 1.502 56.550 54.840 0.348 0.000 0.827 349 L CB -0.303 41.882 42.059 0.208 0.000 1.027 349 L HN 0.680 nan 8.230 nan 0.000 0.474 350 K N -1.633 119.015 120.400 0.414 0.000 2.625 350 K HA 0.425 4.745 4.320 -0.000 0.000 0.284 350 K C -1.381 175.396 176.600 0.296 0.000 0.984 350 K CA -0.041 56.522 56.287 0.460 0.000 0.865 350 K CB 1.258 34.014 32.500 0.427 0.000 1.468 350 K HN 0.051 nan 8.250 nan 0.000 0.407 351 T N -1.167 113.507 114.554 0.201 0.000 2.864 351 T HA 0.943 5.293 4.350 -0.000 0.000 0.289 351 T C 0.011 174.582 174.700 -0.215 0.000 1.082 351 T CA -0.338 61.763 62.100 0.003 0.000 1.009 351 T CB 1.900 70.756 68.868 -0.020 0.000 1.234 351 T HN 0.929 nan 8.240 nan 0.000 0.526 352 G N 0.087 108.477 108.800 -0.683 0.000 2.349 352 G HA2 0.571 4.531 3.960 -0.000 0.000 0.294 352 G HA3 0.571 4.531 3.960 -0.000 0.000 0.294 352 G C -2.134 172.290 174.900 -0.794 0.000 1.380 352 G CA -0.933 43.740 45.100 -0.712 0.000 0.811 352 G HN 0.983 nan 8.290 nan 0.000 0.519 353 K N -1.725 118.525 120.400 -0.249 0.000 2.433 353 K HA 0.781 5.101 4.320 -0.000 0.000 0.252 353 K C -1.915 174.879 176.600 0.323 0.000 1.015 353 K CA -1.190 55.132 56.287 0.059 0.000 0.860 353 K CB 2.839 35.367 32.500 0.047 0.000 1.359 353 K HN 0.736 nan 8.250 nan 0.000 0.452 354 Y N 0.675 121.130 120.300 0.258 0.000 2.344 354 Y HA 0.532 5.082 4.550 -0.000 0.000 0.328 354 Y C -1.658 174.384 175.900 0.237 0.000 1.067 354 Y CA -0.562 57.670 58.100 0.219 0.000 1.247 354 Y CB 1.125 39.684 38.460 0.165 0.000 1.113 354 Y HN 0.926 nan 8.280 nan 0.000 0.465 355 A N 4.335 126.870 122.820 -0.474 0.000 2.282 355 A HA 0.713 5.033 4.320 -0.000 0.000 0.319 355 A C -0.003 177.178 177.584 -0.673 0.000 1.121 355 A CA -0.859 50.949 52.037 -0.382 0.000 0.836 355 A CB 0.900 19.810 19.000 -0.150 0.000 1.146 355 A HN 0.630 nan 8.150 nan 0.000 0.494 356 R N 1.683 121.993 120.500 -0.317 0.000 3.782 356 R HA 0.282 4.622 4.340 -0.000 0.000 0.291 356 R C 1.087 177.341 176.300 -0.077 0.000 1.539 356 R CA -0.149 55.831 56.100 -0.201 0.000 1.345 356 R CB -1.512 28.782 30.300 -0.010 0.000 1.408 356 R HN 0.927 nan 8.270 nan 0.000 0.654 357 M N 0.364 119.910 119.600 -0.091 0.000 2.190 357 M HA -0.297 4.183 4.480 -0.000 0.000 0.252 357 M C 0.608 176.907 176.300 -0.002 0.000 1.076 357 M CA 1.758 57.038 55.300 -0.034 0.000 1.079 357 M CB -0.489 32.097 32.600 -0.024 0.000 1.303 357 M HN 0.112 nan 8.290 nan 0.000 0.412 358 R N 2.304 122.816 120.500 0.019 0.000 2.763 358 R HA 0.190 4.530 4.340 -0.000 0.000 0.348 358 R C 0.751 177.080 176.300 0.048 0.000 0.826 358 R CA 0.313 56.441 56.100 0.046 0.000 1.109 358 R CB -1.522 28.825 30.300 0.079 0.000 0.889 358 R HN 0.570 nan 8.270 nan 0.000 0.402 359 G N 2.255 111.076 108.800 0.034 0.000 2.525 359 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.248 359 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.248 359 G C 0.129 175.018 174.900 -0.018 0.000 1.238 359 G CA 0.112 45.226 45.100 0.023 0.000 0.926 359 G HN 0.950 nan 8.290 nan 0.000 0.574 360 A N -0.906 121.876 122.820 -0.064 0.000 2.538 360 A HA 0.648 4.968 4.320 -0.000 0.000 0.276 360 A C 0.002 177.360 177.584 -0.377 0.000 0.908 360 A CA 0.958 52.879 52.037 -0.194 0.000 1.042 360 A CB 0.172 19.023 19.000 -0.249 0.000 1.218 360 A HN 1.281 nan 8.150 nan 0.000 0.517 361 H N -0.751 118.360 119.070 0.068 0.000 3.240 361 H HA 0.509 5.065 4.556 -0.000 0.000 0.329 361 H C -1.283 174.097 175.328 0.087 0.000 1.024 361 H CA -0.193 55.896 56.048 0.068 0.000 1.487 361 H CB 1.813 31.612 29.762 0.062 0.000 1.909 361 H HN 0.171 nan 8.280 nan 0.000 0.465 362 T N 2.290 116.977 114.554 0.221 0.000 2.957 362 T HA 0.090 4.440 4.350 -0.000 0.000 0.336 362 T C -0.898 173.875 174.700 0.122 0.000 1.462 362 T CA -1.015 61.182 62.100 0.162 0.000 1.073 362 T CB 1.894 70.846 68.868 0.139 0.000 1.319 362 T HN 0.589 nan 8.240 nan 0.000 0.485 363 N N 0.929 119.674 118.700 0.075 0.000 2.483 363 N HA 0.101 4.841 4.740 -0.000 0.000 0.269 363 N C 0.229 175.739 175.510 -0.000 0.000 1.209 363 N CA -0.073 52.992 53.050 0.025 0.000 0.969 363 N CB 1.525 39.993 38.487 -0.031 0.000 1.173 363 N HN 0.535 nan 8.380 nan 0.000 0.475 364 D N 1.362 121.793 120.400 0.053 0.000 2.224 364 D HA -0.032 4.608 4.640 -0.000 0.000 0.205 364 D C 1.653 177.931 176.300 -0.037 0.000 0.965 364 D CA 0.774 54.877 54.000 0.172 0.000 0.852 364 D CB 0.334 41.307 40.800 0.289 0.000 0.947 364 D HN 0.323 nan 8.370 nan 0.000 0.494 365 V N 0.247 119.958 119.914 -0.339 0.000 2.446 365 V HA -0.126 3.994 4.120 -0.000 0.000 0.244 365 V C 2.303 177.866 176.094 -0.885 0.000 1.039 365 V CA 1.264 63.176 62.300 -0.646 0.000 1.045 365 V CB -0.272 30.906 31.823 -1.075 0.000 0.681 365 V HN 0.124 nan 8.190 nan 0.000 0.459 366 K N 0.125 119.950 120.400 -0.959 0.000 2.057 366 K HA -0.264 4.056 4.320 -0.000 0.000 0.207 366 K C 2.220 178.581 176.600 -0.398 0.000 1.049 366 K CA 1.909 57.784 56.287 -0.687 0.000 0.931 366 K CB -0.170 32.147 32.500 -0.305 0.000 0.714 366 K HN 0.452 nan 8.250 nan 0.000 0.440 367 Q N 0.184 119.785 119.800 -0.331 0.000 2.084 367 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 367 Q C 2.112 177.642 176.000 -0.782 0.000 0.978 367 Q CA 1.550 57.154 55.803 -0.332 0.000 0.844 367 Q CB -0.124 28.542 28.738 -0.120 0.000 0.898 367 Q HN 0.349 nan 8.270 nan 0.000 0.426 368 L N 0.121 120.805 121.223 -0.898 0.000 2.042 368 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 368 L C 2.062 178.534 176.870 -0.663 0.000 1.076 368 L CA 2.235 56.511 54.840 -0.940 0.000 0.749 368 L CB -0.795 40.949 42.059 -0.525 0.000 0.893 368 L HN 0.221 nan 8.230 nan 0.000 0.432 369 T N -1.180 113.096 114.554 -0.464 0.000 2.777 369 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 369 T C 1.693 176.134 174.700 -0.432 0.000 1.040 369 T CA 1.522 63.422 62.100 -0.334 0.000 1.141 369 T CB -0.310 68.560 68.868 0.002 0.000 0.868 369 T HN 0.431 nan 8.240 nan 0.000 0.444 370 E N 1.295 121.207 120.200 -0.479 0.000 2.058 370 E HA -0.097 4.253 4.350 -0.000 0.000 0.194 370 E C 2.571 178.563 176.600 -1.013 0.000 0.997 370 E CA 1.134 57.158 56.400 -0.626 0.000 0.801 370 E CB -0.292 29.096 29.700 -0.520 0.000 0.746 370 E HN 0.516 nan 8.360 nan 0.000 0.450 371 A N 0.705 122.834 122.820 -1.152 0.000 1.877 371 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 371 A C 2.490 179.713 177.584 -0.601 0.000 1.186 371 A CA 1.231 52.737 52.037 -0.886 0.000 0.620 371 A CB -0.739 17.965 19.000 -0.493 0.000 0.822 371 A HN 0.142 nan 8.150 nan 0.000 0.443 372 V N 0.165 119.683 119.914 -0.659 0.000 2.469 372 V HA -0.307 3.812 4.120 -0.000 0.000 0.251 372 V C 2.751 178.516 176.094 -0.549 0.000 1.064 372 V CA 2.477 64.294 62.300 -0.805 0.000 1.066 372 V CB -0.713 30.495 31.823 -1.024 0.000 0.667 372 V HN 0.790 nan 8.190 nan 0.000 0.461 373 Q N 0.946 120.482 119.800 -0.440 0.000 2.083 373 Q HA -0.189 4.151 4.340 -0.000 0.000 0.198 373 Q C 2.224 178.098 176.000 -0.211 0.000 0.969 373 Q CA 2.094 57.732 55.803 -0.276 0.000 0.838 373 Q CB -0.456 28.144 28.738 -0.229 0.000 0.900 373 Q HN 0.605 nan 8.270 nan 0.000 0.436 374 K N -0.239 119.999 120.400 -0.270 0.000 2.113 374 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 374 K C 1.807 178.341 176.600 -0.110 0.000 1.047 374 K CA 1.647 57.844 56.287 -0.151 0.000 0.928 374 K CB -0.213 32.219 32.500 -0.112 0.000 0.716 374 K HN 0.361 nan 8.250 nan 0.000 0.446 375 I N 0.584 121.043 120.570 -0.185 0.000 2.406 375 I HA -0.199 3.971 4.170 -0.000 0.000 0.249 375 I C 2.098 178.211 176.117 -0.007 0.000 1.122 375 I CA 1.102 62.301 61.300 -0.168 0.000 1.431 375 I CB -0.228 37.632 38.000 -0.234 0.000 1.087 375 I HN 0.194 nan 8.210 nan 0.000 0.424 376 T N 0.106 114.684 114.554 0.039 0.000 2.652 376 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 376 T C 1.926 176.623 174.700 -0.004 0.000 1.039 376 T CA 2.197 64.327 62.100 0.050 0.000 1.153 376 T CB -0.521 68.354 68.868 0.011 0.000 0.863 376 T HN 0.348 nan 8.240 nan 0.000 0.428 377 T N 1.637 116.173 114.554 -0.030 0.000 2.665 377 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 377 T C 1.900 176.567 174.700 -0.056 0.000 1.035 377 T CA 1.590 63.669 62.100 -0.035 0.000 1.151 377 T CB -0.361 68.489 68.868 -0.030 0.000 0.862 377 T HN 0.522 nan 8.240 nan 0.000 0.438 378 E N 0.594 120.759 120.200 -0.059 0.000 2.058 378 E HA -0.155 4.195 4.350 -0.000 0.000 0.194 378 E C 2.427 178.895 176.600 -0.220 0.000 0.997 378 E CA 1.408 57.741 56.400 -0.113 0.000 0.801 378 E CB -0.066 29.604 29.700 -0.050 0.000 0.746 378 E HN 0.394 nan 8.360 nan 0.000 0.450 379 S N 0.627 116.287 115.700 -0.067 0.000 2.359 379 S HA -0.174 4.296 4.470 -0.000 0.000 0.224 379 S C 1.999 176.556 174.600 -0.073 0.000 1.035 379 S CA 1.253 59.484 58.200 0.051 0.000 1.018 379 S CB -0.314 63.061 63.200 0.291 0.000 0.876 379 S HN 0.297 nan 8.310 nan 0.000 0.448 380 I N 1.445 121.983 120.570 -0.053 0.000 2.194 380 I HA -0.194 3.976 4.170 -0.000 0.000 0.246 380 I C 2.200 178.240 176.117 -0.128 0.000 1.093 380 I CA 1.044 62.309 61.300 -0.059 0.000 1.355 380 I CB -0.686 37.291 38.000 -0.038 0.000 1.046 380 I HN 0.165 nan 8.210 nan 0.000 0.413 381 V N 1.048 120.856 119.914 -0.175 0.000 2.295 381 V HA -0.269 3.851 4.120 -0.000 0.000 0.246 381 V C 2.259 178.159 176.094 -0.324 0.000 1.049 381 V CA 1.944 64.123 62.300 -0.202 0.000 1.024 381 V CB -0.452 31.255 31.823 -0.193 0.000 0.648 381 V HN 0.331 nan 8.190 nan 0.000 0.447 382 I N -1.622 118.600 120.570 -0.580 0.000 2.277 382 I HA -0.150 4.020 4.170 -0.000 0.000 0.243 382 I C 2.193 177.712 176.117 -0.996 0.000 1.094 382 I CA 1.525 62.253 61.300 -0.953 0.000 1.393 382 I CB -0.223 36.772 38.000 -1.674 0.000 1.078 382 I HN 0.394 nan 8.210 nan 0.000 0.417 383 W N 0.081 121.203 121.300 -0.296 0.000 3.058 383 W HA 0.365 5.025 4.660 -0.000 0.000 0.306 383 W C 1.500 177.875 176.519 -0.240 0.000 1.188 383 W CA 0.730 57.821 57.345 -0.424 0.000 1.651 383 W CB -0.309 28.759 29.460 -0.654 0.000 1.051 383 W HN 0.328 nan 8.180 nan 0.000 0.592 384 G N 2.065 110.849 108.800 -0.028 0.000 2.141 384 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.242 384 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.242 384 G C 0.167 175.084 174.900 0.028 0.000 0.982 384 G CA 0.787 45.884 45.100 -0.005 0.000 0.662 384 G HN 0.366 nan 8.290 nan 0.000 0.527 385 K N -1.530 118.902 120.400 0.053 0.000 2.571 385 K HA 0.720 5.040 4.320 -0.000 0.000 0.289 385 K C -0.390 176.227 176.600 0.028 0.000 1.028 385 K CA -0.441 55.868 56.287 0.037 0.000 0.895 385 K CB 0.581 33.105 32.500 0.040 0.000 1.534 385 K HN 0.345 nan 8.250 nan 0.000 0.421 386 T N 0.304 114.845 114.554 -0.021 0.000 2.882 386 T HA 0.471 4.821 4.350 -0.000 0.000 0.287 386 T C -2.246 172.349 174.700 -0.174 0.000 0.992 386 T CA -1.541 60.518 62.100 -0.069 0.000 1.076 386 T CB 1.060 69.889 68.868 -0.064 0.000 0.961 386 T HN 0.466 nan 8.240 nan 0.000 0.490 387 P HA 0.375 nan 4.420 nan 0.000 0.278 387 P C -0.730 176.188 177.300 -0.636 0.000 1.258 387 P CA -0.820 61.959 63.100 -0.535 0.000 0.811 387 P CB 0.901 32.174 31.700 -0.713 0.000 1.063 388 K N 1.067 121.156 120.400 -0.518 0.000 2.118 388 K HA 0.453 4.772 4.320 -0.000 0.000 0.264 388 K C -0.156 176.148 176.600 -0.495 0.000 1.000 388 K CA -0.240 55.831 56.287 -0.360 0.000 0.929 388 K CB 0.241 32.612 32.500 -0.215 0.000 1.021 388 K HN 0.412 nan 8.250 nan 0.000 0.463 389 F N 0.711 120.603 119.950 -0.097 0.000 2.523 389 F HA 0.419 4.946 4.527 -0.000 0.000 0.329 389 F C 0.447 176.236 175.800 -0.018 0.000 1.061 389 F CA -0.609 57.343 58.000 -0.080 0.000 0.967 389 F CB 1.607 40.559 39.000 -0.079 0.000 1.218 389 F HN 0.086 nan 8.300 nan 0.000 0.480 390 K N 3.348 123.884 120.400 0.227 0.000 2.578 390 K HA 0.688 5.008 4.320 -0.000 0.000 0.250 390 K C -1.769 174.940 176.600 0.182 0.000 0.955 390 K CA -0.504 55.871 56.287 0.148 0.000 0.825 390 K CB 2.119 34.658 32.500 0.065 0.000 1.151 390 K HN 0.470 nan 8.250 nan 0.000 0.432 391 L N 3.032 124.383 121.223 0.214 0.000 2.434 391 L HA 0.463 4.803 4.340 -0.000 0.000 0.260 391 L C -2.197 174.836 176.870 0.273 0.000 0.983 391 L CA -2.032 52.933 54.840 0.209 0.000 0.820 391 L CB 2.330 44.471 42.059 0.137 0.000 1.361 391 L HN 0.403 nan 8.230 nan 0.000 0.410 392 P HA 0.101 nan 4.420 nan 0.000 0.262 392 P C -0.525 177.028 177.300 0.422 0.000 1.647 392 P CA 0.633 63.915 63.100 0.303 0.000 0.865 392 P CB 0.124 31.945 31.700 0.203 0.000 1.834 393 I N -0.843 120.045 120.570 0.531 0.000 2.686 393 I HA 0.332 4.502 4.170 -0.000 0.000 0.295 393 I C -0.879 175.461 176.117 0.372 0.000 1.114 393 I CA -0.960 60.559 61.300 0.364 0.000 1.038 393 I CB 2.745 40.877 38.000 0.220 0.000 1.238 393 I HN -0.251 nan 8.210 nan 0.000 0.420 394 Q N 5.798 125.607 119.800 0.016 0.000 2.241 394 Q HA 0.213 4.553 4.340 -0.000 0.000 0.254 394 Q C 0.600 176.716 176.000 0.193 0.000 0.917 394 Q CA -0.065 55.619 55.803 -0.198 0.000 0.919 394 Q CB 2.022 30.464 28.738 -0.493 0.000 1.237 394 Q HN 0.786 nan 8.270 nan 0.000 0.434 395 K N 2.805 123.350 120.400 0.241 0.000 2.071 395 K HA -0.344 3.976 4.320 -0.000 0.000 0.217 395 K C 1.251 178.017 176.600 0.277 0.000 1.054 395 K CA 2.408 58.945 56.287 0.417 0.000 0.937 395 K CB 0.083 32.676 32.500 0.154 0.000 0.719 395 K HN 0.574 nan 8.250 nan 0.000 0.454 396 E N 0.136 120.390 120.200 0.090 0.000 2.136 396 E HA -0.194 4.156 4.350 -0.000 0.000 0.202 396 E C 1.482 178.096 176.600 0.024 0.000 1.019 396 E CA 2.382 58.796 56.400 0.024 0.000 0.819 396 E CB -0.430 29.250 29.700 -0.032 0.000 0.739 396 E HN 0.455 nan 8.360 nan 0.000 0.458 397 T N 0.300 114.887 114.554 0.056 0.000 2.559 397 T HA -0.166 4.184 4.350 -0.000 0.000 0.251 397 T C 1.246 175.993 174.700 0.079 0.000 1.122 397 T CA 1.008 63.129 62.100 0.036 0.000 1.231 397 T CB -1.013 67.879 68.868 0.039 0.000 0.881 397 T HN 0.421 nan 8.240 nan 0.000 0.397 398 W N 2.181 123.514 121.300 0.056 0.000 2.269 398 W HA -0.333 4.327 4.660 -0.000 0.000 0.338 398 W C 2.229 178.819 176.519 0.119 0.000 1.359 398 W CA 2.364 59.778 57.345 0.114 0.000 1.186 398 W CB -0.921 28.591 29.460 0.086 0.000 1.082 398 W HN 0.478 nan 8.180 nan 0.000 0.485 399 E N -0.734 119.604 120.200 0.230 0.000 2.279 399 E HA -0.271 4.079 4.350 -0.000 0.000 0.205 399 E C 1.984 178.092 176.600 -0.820 0.000 1.028 399 E CA 2.434 58.635 56.400 -0.333 0.000 0.830 399 E CB -0.173 29.572 29.700 0.075 0.000 0.736 399 E HN 0.291 nan 8.360 nan 0.000 0.478 400 T N -0.422 113.894 114.554 -0.396 0.000 2.668 400 T HA -0.161 4.189 4.350 -0.000 0.000 0.258 400 T C 0.998 175.473 174.700 -0.374 0.000 1.051 400 T CA 1.166 63.052 62.100 -0.357 0.000 1.155 400 T CB -0.651 68.116 68.868 -0.168 0.000 0.864 400 T HN 0.474 nan 8.240 nan 0.000 0.413 401 W N 2.283 123.312 121.300 -0.451 0.000 2.304 401 W HA -0.205 4.455 4.660 -0.000 0.000 0.315 401 W C 2.241 178.542 176.519 -0.363 0.000 1.233 401 W CA 1.634 58.734 57.345 -0.409 0.000 1.261 401 W CB -0.502 28.677 29.460 -0.469 0.000 1.150 401 W HN 0.583 nan 8.180 nan 0.000 0.494 402 W N -0.141 120.846 121.300 -0.521 0.000 2.525 402 W HA -0.057 4.603 4.660 -0.000 0.000 0.259 402 W C 1.276 177.545 176.519 -0.418 0.000 1.253 402 W CA 1.206 58.157 57.345 -0.656 0.000 1.262 402 W CB -1.193 28.004 29.460 -0.438 0.000 1.122 402 W HN -0.209 nan 8.180 nan 0.000 0.607 403 T N 1.673 115.980 114.554 -0.410 0.000 2.809 403 T HA -0.131 4.219 4.350 -0.000 0.000 0.260 403 T C 1.533 176.114 174.700 -0.198 0.000 1.039 403 T CA 1.860 63.737 62.100 -0.371 0.000 1.141 403 T CB -0.139 68.277 68.868 -0.755 0.000 0.869 403 T HN 0.216 nan 8.240 nan 0.000 0.437 404 E N -0.164 119.866 120.200 -0.282 0.000 2.072 404 E HA -0.040 4.310 4.350 -0.000 0.000 0.190 404 E C 0.212 176.694 176.600 -0.197 0.000 0.982 404 E CA 0.256 56.535 56.400 -0.202 0.000 0.803 404 E CB -0.106 29.483 29.700 -0.184 0.000 0.755 404 E HN 0.383 nan 8.360 nan 0.000 0.453 405 Y N 2.294 122.202 120.300 -0.653 0.000 2.717 405 Y HA -0.194 4.356 4.550 -0.000 0.000 0.330 405 Y C 1.051 176.691 175.900 -0.435 0.000 1.217 405 Y CA -0.664 56.998 58.100 -0.731 0.000 1.506 405 Y CB 0.268 37.873 38.460 -1.425 0.000 1.268 405 Y HN 0.208 nan 8.280 nan 0.000 0.561 406 W N 3.871 124.825 121.300 -0.576 0.000 2.699 406 W HA 0.022 4.682 4.660 -0.000 0.000 0.249 406 W C -0.359 175.874 176.519 -0.476 0.000 1.280 406 W CA 0.058 57.126 57.345 -0.461 0.000 1.345 406 W CB -0.236 28.985 29.460 -0.399 0.000 1.128 406 W HN 0.491 nan 8.180 nan 0.000 0.642 407 Q N 0.960 119.873 119.800 -1.479 0.000 2.226 407 Q HA 0.537 4.877 4.340 -0.000 0.000 0.256 407 Q C -0.292 175.422 176.000 -0.476 0.000 0.962 407 Q CA -0.428 54.715 55.803 -1.100 0.000 0.887 407 Q CB 2.238 30.017 28.738 -1.599 0.000 1.282 407 Q HN 0.014 nan 8.270 nan 0.000 0.449 408 A N 1.488 124.152 122.820 -0.259 0.000 2.322 408 A HA 0.621 4.941 4.320 -0.000 0.000 0.269 408 A C -0.188 177.348 177.584 -0.081 0.000 1.094 408 A CA 0.010 51.954 52.037 -0.155 0.000 0.807 408 A CB 0.589 19.515 19.000 -0.123 0.000 1.047 408 A HN 0.783 nan 8.150 nan 0.000 0.487 409 T N -2.329 112.207 114.554 -0.030 0.000 2.787 409 T HA 0.623 4.973 4.350 -0.000 0.000 0.297 409 T C -0.935 173.885 174.700 0.200 0.000 1.221 409 T CA -0.523 61.648 62.100 0.118 0.000 1.006 409 T CB 1.287 70.313 68.868 0.264 0.000 1.328 409 T HN 1.096 nan 8.240 nan 0.000 0.509 410 W N 2.171 123.456 121.300 -0.024 0.000 1.982 410 W HA 0.491 5.151 4.660 -0.000 0.000 0.299 410 W C -1.621 174.849 176.519 -0.081 0.000 1.011 410 W CA -1.116 56.187 57.345 -0.071 0.000 1.324 410 W CB 0.628 30.042 29.460 -0.077 0.000 1.372 410 W HN 0.801 nan 8.180 nan 0.000 0.323 411 I N 7.594 128.140 120.570 -0.041 0.000 2.352 411 I HA 0.243 4.413 4.170 -0.000 0.000 0.290 411 I C -1.138 174.530 176.117 -0.747 0.000 1.036 411 I CA -1.768 59.194 61.300 -0.563 0.000 1.336 411 I CB 1.070 38.421 38.000 -1.082 0.000 1.407 411 I HN 0.163 nan 8.210 nan 0.000 0.497 412 P HA -0.093 nan 4.420 nan 0.000 0.304 412 P C -0.747 176.461 177.300 -0.155 0.000 1.332 412 P CA 0.123 62.887 63.100 -0.561 0.000 0.807 412 P CB 0.149 31.671 31.700 -0.297 0.000 1.545 413 E N 0.320 120.497 120.200 -0.038 0.000 2.299 413 E HA 0.095 4.445 4.350 -0.000 0.000 0.272 413 E C -0.386 176.352 176.600 0.231 0.000 1.043 413 E CA 0.510 56.946 56.400 0.059 0.000 0.895 413 E CB -0.149 29.540 29.700 -0.018 0.000 1.011 413 E HN 0.449 nan 8.360 nan 0.000 0.432 414 W N 2.379 123.626 121.300 -0.088 0.000 3.274 414 W HA 0.475 5.135 4.660 -0.000 0.000 0.327 414 W C -0.857 175.650 176.519 -0.020 0.000 1.172 414 W CA -0.993 56.324 57.345 -0.048 0.000 1.217 414 W CB 0.376 29.746 29.460 -0.150 0.000 1.376 414 W HN 0.377 nan 8.180 nan 0.000 0.507 415 E N 3.480 123.685 120.200 0.008 0.000 2.171 415 E HA 0.372 4.722 4.350 -0.000 0.000 0.271 415 E C -1.531 175.105 176.600 0.060 0.000 0.916 415 E CA -0.796 55.553 56.400 -0.084 0.000 0.774 415 E CB 1.922 31.594 29.700 -0.047 0.000 1.128 415 E HN 0.290 nan 8.360 nan 0.000 0.403 416 F N 4.532 124.409 119.950 -0.121 0.000 2.484 416 F HA 0.267 4.794 4.527 -0.000 0.000 0.360 416 F C -0.931 174.886 175.800 0.028 0.000 1.101 416 F CA -0.255 57.750 58.000 0.008 0.000 1.251 416 F CB 0.928 39.911 39.000 -0.028 0.000 1.132 416 F HN 0.172 nan 8.300 nan 0.000 0.570 417 V N 6.475 125.887 119.914 -0.837 0.000 2.327 417 V HA 0.103 4.223 4.120 -0.000 0.000 0.272 417 V C -0.450 175.046 176.094 -0.996 0.000 1.019 417 V CA -0.986 60.873 62.300 -0.735 0.000 0.814 417 V CB 0.800 32.474 31.823 -0.248 0.000 1.040 417 V HN 0.766 nan 8.190 nan 0.000 0.440 418 N N 3.636 121.569 118.700 -1.279 0.000 2.394 418 N HA 0.122 4.862 4.740 -0.000 0.000 0.288 418 N C -0.164 175.235 175.510 -0.185 0.000 1.272 418 N CA 0.764 53.480 53.050 -0.558 0.000 1.004 418 N CB 0.294 38.693 38.487 -0.146 0.000 1.393 418 N HN 0.755 nan 8.380 nan 0.000 0.488 419 T N 2.046 116.548 114.554 -0.087 0.000 3.705 419 T HA 0.361 4.711 4.350 -0.000 0.000 0.342 419 T C -3.026 171.679 174.700 0.010 0.000 1.043 419 T CA -1.513 60.566 62.100 -0.034 0.000 1.071 419 T CB 0.971 69.807 68.868 -0.053 0.000 1.124 419 T HN 0.102 nan 8.240 nan 0.000 0.467 420 P HA 0.171 nan 4.420 nan 0.000 0.266 420 P C -1.828 175.477 177.300 0.007 0.000 1.186 420 P CA -0.566 62.549 63.100 0.023 0.000 0.767 420 P CB 0.036 31.748 31.700 0.021 0.000 0.820 421 P HA 0.224 nan 4.420 nan 0.000 0.288 421 P C -0.972 176.355 177.300 0.045 0.000 1.291 421 P CA 0.035 63.148 63.100 0.022 0.000 0.766 421 P CB 0.531 32.231 31.700 0.000 0.000 1.242 422 L N -1.387 119.869 121.223 0.055 0.000 2.393 422 L HA 0.410 4.750 4.340 -0.000 0.000 0.260 422 L C -1.131 175.774 176.870 0.059 0.000 1.002 422 L CA -0.943 53.940 54.840 0.071 0.000 0.818 422 L CB 2.349 44.432 42.059 0.040 0.000 1.369 422 L HN 0.032 nan 8.230 nan 0.000 0.412 423 V N 3.513 123.483 119.914 0.094 0.000 2.398 423 V HA 0.706 4.826 4.120 -0.000 0.000 0.286 423 V C -0.112 175.958 176.094 -0.040 0.000 1.026 423 V CA -0.601 61.752 62.300 0.088 0.000 0.868 423 V CB 1.107 33.038 31.823 0.180 0.000 0.982 423 V HN 0.673 nan 8.190 nan 0.000 0.443 424 K N 3.640 123.946 120.400 -0.157 0.000 2.578 424 K HA 0.496 4.816 4.320 -0.000 0.000 0.287 424 K C -1.703 174.744 176.600 -0.255 0.000 1.010 424 K CA -0.838 55.301 56.287 -0.247 0.000 0.889 424 K CB 2.365 34.645 32.500 -0.366 0.000 1.514 424 K HN 0.554 nan 8.250 nan 0.000 0.424 425 L N 3.018 124.131 121.223 -0.183 0.000 2.334 425 L HA 0.219 4.559 4.340 -0.000 0.000 0.286 425 L C 0.422 177.251 176.870 -0.069 0.000 1.108 425 L CA -0.518 54.259 54.840 -0.105 0.000 0.875 425 L CB 0.009 42.005 42.059 -0.106 0.000 1.246 425 L HN 0.605 nan 8.230 nan 0.000 0.439 426 W N 3.095 124.369 121.300 -0.042 0.000 2.662 426 W HA -0.092 4.568 4.660 -0.000 0.000 0.249 426 W C 0.383 177.017 176.519 0.191 0.000 1.251 426 W CA 0.064 57.459 57.345 0.082 0.000 1.277 426 W CB -0.870 28.687 29.460 0.161 0.000 1.140 426 W HN 0.534 nan 8.180 nan 0.000 0.645 427 Y N -3.089 117.334 120.300 0.205 0.000 2.721 427 Y HA 0.383 4.933 4.550 -0.000 0.000 0.357 427 Y C -1.282 174.676 175.900 0.096 0.000 1.183 427 Y CA -2.283 55.895 58.100 0.130 0.000 1.231 427 Y CB 0.093 38.629 38.460 0.128 0.000 1.390 427 Y HN -0.052 nan 8.280 nan 0.000 0.488 428 Q N 3.279 123.189 119.800 0.183 0.000 2.397 428 Q HA 0.697 5.036 4.340 -0.000 0.000 0.275 428 Q C -1.266 174.865 176.000 0.219 0.000 1.090 428 Q CA -1.201 54.651 55.803 0.082 0.000 0.809 428 Q CB 3.399 32.155 28.738 0.030 0.000 1.362 428 Q HN 0.708 nan 8.270 nan 0.000 0.431 429 L N 1.372 122.703 121.223 0.180 0.000 2.375 429 L HA 0.310 4.650 4.340 -0.000 0.000 0.271 429 L C 0.569 177.516 176.870 0.129 0.000 1.107 429 L CA -0.792 54.144 54.840 0.161 0.000 0.806 429 L CB 0.465 42.592 42.059 0.112 0.000 1.146 429 L HN 0.455 nan 8.230 nan 0.000 0.447 430 E N 1.483 121.780 120.200 0.163 0.000 2.392 430 E HA 0.056 4.405 4.350 -0.000 0.000 0.259 430 E C 0.136 176.888 176.600 0.254 0.000 1.108 430 E CA -0.013 56.504 56.400 0.195 0.000 0.916 430 E CB 1.047 30.886 29.700 0.230 0.000 0.989 430 E HN 0.445 nan 8.360 nan 0.000 0.432 431 K N 0.645 121.165 120.400 0.200 0.000 2.352 431 K HA 0.091 4.411 4.320 -0.000 0.000 0.194 431 K C 0.117 176.870 176.600 0.255 0.000 1.038 431 K CA 0.395 56.803 56.287 0.201 0.000 1.023 431 K CB 0.607 33.166 32.500 0.099 0.000 0.840 431 K HN 0.272 nan 8.250 nan 0.000 0.519 432 E N 1.163 121.440 120.200 0.127 0.000 2.272 432 E HA 0.248 4.598 4.350 -0.000 0.000 0.269 432 E C -2.691 173.575 176.600 -0.556 0.000 0.877 432 E CA -2.502 53.810 56.400 -0.146 0.000 0.755 432 E CB 1.803 31.448 29.700 -0.092 0.000 1.192 432 E HN -0.098 nan 8.360 nan 0.000 0.422 433 P HA 0.023 nan 4.420 nan 0.000 0.267 433 P C -0.075 176.976 177.300 -0.415 0.000 1.195 433 P CA 0.341 62.757 63.100 -1.140 0.000 0.773 433 P CB 0.659 31.905 31.700 -0.757 0.000 0.837 434 I N 1.682 122.122 120.570 -0.218 0.000 2.315 434 I HA 0.140 4.310 4.170 -0.000 0.000 0.291 434 I C 0.457 176.531 176.117 -0.071 0.000 1.006 434 I CA -1.196 60.049 61.300 -0.092 0.000 1.265 434 I CB 1.206 39.196 38.000 -0.017 0.000 1.387 434 I HN 0.028 nan 8.210 nan 0.000 0.475 435 V N 6.012 125.889 119.914 -0.062 0.000 2.572 435 V HA 0.353 4.472 4.120 -0.000 0.000 0.291 435 V C 1.269 177.347 176.094 -0.027 0.000 1.039 435 V CA 0.850 63.122 62.300 -0.046 0.000 1.055 435 V CB 0.134 31.932 31.823 -0.041 0.000 0.969 435 V HN 1.189 nan 8.190 nan 0.000 0.482 436 G N 3.444 112.230 108.800 -0.023 0.000 2.420 436 G HA2 -0.133 3.826 3.960 -0.000 0.000 0.221 436 G HA3 -0.133 3.826 3.960 -0.000 0.000 0.221 436 G C 0.646 175.540 174.900 -0.011 0.000 1.117 436 G CA 0.086 45.177 45.100 -0.015 0.000 0.657 436 G HN 1.726 nan 8.290 nan 0.000 0.512 437 A N 1.004 123.820 122.820 -0.006 0.000 2.587 437 A HA 0.418 4.738 4.320 -0.000 0.000 0.235 437 A C 0.543 178.130 177.584 0.005 0.000 1.044 437 A CA 1.419 53.462 52.037 0.010 0.000 0.754 437 A CB -0.006 19.006 19.000 0.020 0.000 0.968 437 A HN 1.012 nan 8.150 nan 0.000 0.509 438 E N 1.433 121.639 120.200 0.010 0.000 2.384 438 E HA 0.213 4.563 4.350 -0.000 0.000 0.266 438 E C -0.439 176.144 176.600 -0.029 0.000 1.012 438 E CA 0.191 56.559 56.400 -0.052 0.000 0.901 438 E CB 0.424 30.070 29.700 -0.090 0.000 0.967 438 E HN 0.574 nan 8.360 nan 0.000 0.435 439 T N 5.184 119.682 114.554 -0.093 0.000 2.749 439 T HA 0.303 4.653 4.350 -0.000 0.000 0.287 439 T C -0.913 173.722 174.700 -0.108 0.000 0.970 439 T CA -0.281 61.802 62.100 -0.029 0.000 0.980 439 T CB 0.041 68.933 68.868 0.040 0.000 0.924 439 T HN 0.258 nan 8.240 nan 0.000 0.456 440 F N 2.775 122.679 119.950 -0.077 0.000 2.385 440 F HA 0.360 4.887 4.527 -0.000 0.000 0.360 440 F C -0.125 175.647 175.800 -0.048 0.000 1.122 440 F CA -0.979 56.987 58.000 -0.058 0.000 1.090 440 F CB 0.830 39.726 39.000 -0.174 0.000 1.150 440 F HN 0.551 nan 8.300 nan 0.000 0.472 441 Y N 3.615 124.011 120.300 0.160 0.000 2.691 441 Y HA 0.331 4.881 4.550 -0.000 0.000 0.338 441 Y C 0.274 176.281 175.900 0.178 0.000 1.148 441 Y CA -0.436 57.738 58.100 0.124 0.000 1.430 441 Y CB 0.110 38.608 38.460 0.063 0.000 1.303 441 Y HN 0.222 nan 8.280 nan 0.000 0.499 442 V N 3.216 123.270 119.914 0.234 0.000 2.881 442 V HA 0.213 4.333 4.120 -0.000 0.000 0.303 442 V C -0.003 176.180 176.094 0.150 0.000 1.070 442 V CA 0.297 62.729 62.300 0.221 0.000 1.074 442 V CB 1.529 33.446 31.823 0.158 0.000 1.012 442 V HN 0.638 nan 8.190 nan 0.000 0.482 443 D N 0.811 121.291 120.400 0.133 0.000 2.694 443 D HA 0.613 5.253 4.640 -0.000 0.000 0.260 443 D C -0.732 175.612 176.300 0.073 0.000 1.250 443 D CA 0.349 54.402 54.000 0.088 0.000 0.763 443 D CB 2.077 42.923 40.800 0.077 0.000 1.311 443 D HN 0.887 nan 8.370 nan 0.000 0.420 444 G N -0.045 108.790 108.800 0.059 0.000 2.524 444 G HA2 0.699 4.659 3.960 -0.000 0.000 0.306 444 G HA3 0.699 4.659 3.960 -0.000 0.000 0.306 444 G C -1.428 173.498 174.900 0.044 0.000 1.420 444 G CA 0.136 45.265 45.100 0.050 0.000 1.086 444 G HN 0.539 nan 8.290 nan 0.000 0.591 445 A N 0.805 123.646 122.820 0.035 0.000 2.346 445 A HA 1.105 5.425 4.320 -0.000 0.000 0.313 445 A C 0.124 177.724 177.584 0.026 0.000 1.140 445 A CA -0.146 51.911 52.037 0.032 0.000 0.826 445 A CB 1.847 20.867 19.000 0.032 0.000 1.332 445 A HN 2.436 nan 8.150 nan 0.000 0.457 446 A N 0.295 123.129 122.820 0.023 0.000 2.539 446 A HA 0.659 4.979 4.320 -0.000 0.000 0.296 446 A C -0.946 176.647 177.584 0.015 0.000 1.073 446 A CA -0.709 51.338 52.037 0.017 0.000 0.700 446 A CB 1.078 20.087 19.000 0.014 0.000 1.296 446 A HN 0.701 nan 8.150 nan 0.000 0.405 447 N N 0.879 119.586 118.700 0.012 0.000 2.402 447 N HA 0.105 4.845 4.740 -0.000 0.000 0.252 447 N C 1.223 176.737 175.510 0.007 0.000 1.118 447 N CA -0.219 52.837 53.050 0.010 0.000 0.945 447 N CB 0.552 39.044 38.487 0.008 0.000 1.147 447 N HN 0.642 nan 8.380 nan 0.000 0.495 448 R N 2.197 122.701 120.500 0.007 0.000 2.117 448 R HA -0.200 4.140 4.340 -0.000 0.000 0.243 448 R C 0.873 177.174 176.300 0.001 0.000 1.143 448 R CA 1.354 57.456 56.100 0.003 0.000 0.968 448 R CB 0.097 30.399 30.300 0.004 0.000 0.863 448 R HN 0.532 nan 8.270 nan 0.000 0.444 449 E N 0.187 120.388 120.200 0.003 0.000 2.166 449 E HA -0.065 4.285 4.350 -0.000 0.000 0.192 449 E C 1.630 178.231 176.600 0.002 0.000 0.967 449 E CA 1.276 57.677 56.400 0.002 0.000 0.840 449 E CB 0.233 29.935 29.700 0.002 0.000 0.795 449 E HN 0.301 nan 8.360 nan 0.000 0.470 450 T N -1.522 113.034 114.554 0.003 0.000 3.107 450 T HA 0.108 4.458 4.350 -0.000 0.000 0.249 450 T C 0.360 175.061 174.700 0.003 0.000 1.096 450 T CA 0.056 62.158 62.100 0.003 0.000 1.012 450 T CB -0.339 68.531 68.868 0.003 0.000 0.977 450 T HN 0.147 nan 8.240 nan 0.000 0.527 451 K N 0.654 121.056 120.400 0.003 0.000 2.975 451 K HA -0.142 4.178 4.320 -0.000 0.000 0.257 451 K C -0.606 175.996 176.600 0.004 0.000 1.005 451 K CA 0.397 56.686 56.287 0.003 0.000 0.738 451 K CB -1.907 30.593 32.500 0.001 0.000 1.236 451 K HN 0.535 nan 8.250 nan 0.000 0.483 452 L N 0.255 121.481 121.223 0.006 0.000 2.325 452 L HA 0.547 4.887 4.340 -0.000 0.000 0.281 452 L C 0.797 177.673 176.870 0.009 0.000 1.004 452 L CA -0.590 54.254 54.840 0.007 0.000 0.823 452 L CB 1.874 43.937 42.059 0.006 0.000 1.236 452 L HN 0.232 nan 8.230 nan 0.000 0.415 453 G N 2.707 111.514 108.800 0.011 0.000 3.176 453 G HA2 0.720 4.680 3.960 -0.000 0.000 0.272 453 G HA3 0.720 4.680 3.960 -0.000 0.000 0.272 453 G C -1.476 173.432 174.900 0.013 0.000 1.349 453 G CA -0.497 44.612 45.100 0.014 0.000 0.953 453 G HN 0.399 nan 8.290 nan 0.000 0.559 454 K N -1.094 119.316 120.400 0.016 0.000 2.527 454 K HA 0.664 4.983 4.320 -0.000 0.000 0.260 454 K C -1.473 175.138 176.600 0.019 0.000 0.937 454 K CA -0.789 55.505 56.287 0.012 0.000 0.826 454 K CB 2.766 35.269 32.500 0.005 0.000 1.359 454 K HN 0.761 nan 8.250 nan 0.000 0.434 455 A N 1.030 123.857 122.820 0.011 0.000 2.375 455 A HA 0.840 5.160 4.320 -0.000 0.000 0.295 455 A C -0.584 176.990 177.584 -0.018 0.000 1.066 455 A CA -0.375 51.675 52.037 0.022 0.000 0.722 455 A CB 1.678 20.706 19.000 0.046 0.000 1.206 455 A HN 0.786 nan 8.150 nan 0.000 0.435 456 G N 0.295 109.088 108.800 -0.012 0.000 2.749 456 G HA2 0.799 4.759 3.960 -0.000 0.000 0.300 456 G HA3 0.799 4.759 3.960 -0.000 0.000 0.300 456 G C -1.197 173.713 174.900 0.016 0.000 1.352 456 G CA -0.098 44.936 45.100 -0.111 0.000 0.789 456 G HN 1.706 nan 8.290 nan 0.000 0.509 457 Y N -3.245 117.136 120.300 0.136 0.000 2.656 457 Y HA 0.748 5.298 4.550 -0.000 0.000 0.334 457 Y C -1.466 174.529 175.900 0.158 0.000 1.179 457 Y CA -1.534 56.687 58.100 0.202 0.000 1.050 457 Y CB 1.768 40.455 38.460 0.378 0.000 1.308 457 Y HN 0.534 nan 8.280 nan 0.000 0.456 458 V N 1.807 122.005 119.914 0.473 0.000 2.655 458 V HA 0.506 4.626 4.120 -0.000 0.000 0.301 458 V C -0.297 175.894 176.094 0.161 0.000 1.082 458 V CA -0.180 62.279 62.300 0.264 0.000 0.899 458 V CB 1.885 33.776 31.823 0.114 0.000 1.014 458 V HN 1.062 nan 8.190 nan 0.000 0.429 459 T N 0.461 114.999 114.554 -0.026 0.000 2.912 459 T HA 0.287 4.637 4.350 -0.000 0.000 0.280 459 T C 1.215 175.849 174.700 -0.111 0.000 0.989 459 T CA 0.046 62.017 62.100 -0.215 0.000 0.995 459 T CB 1.048 69.528 68.868 -0.646 0.000 1.077 459 T HN 0.785 nan 8.240 nan 0.000 0.531 460 N N 0.615 119.266 118.700 -0.081 0.000 2.149 460 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 460 N C 1.270 176.733 175.510 -0.078 0.000 1.019 460 N CA 0.595 53.615 53.050 -0.049 0.000 0.857 460 N CB -0.301 38.181 38.487 -0.010 0.000 0.997 460 N HN 0.390 nan 8.380 nan 0.000 0.426 461 K N -0.189 120.142 120.400 -0.116 0.000 2.569 461 K HA 0.138 4.458 4.320 -0.000 0.000 0.193 461 K C 1.011 177.567 176.600 -0.072 0.000 1.026 461 K CA 0.595 56.827 56.287 -0.093 0.000 1.093 461 K CB -0.280 32.154 32.500 -0.110 0.000 0.849 461 K HN 0.484 nan 8.250 nan 0.000 0.509 462 G N 0.602 109.360 108.800 -0.069 0.000 2.179 462 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.260 462 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.260 462 G C 0.075 174.968 174.900 -0.013 0.000 0.977 462 G CA 0.203 45.279 45.100 -0.039 0.000 0.641 462 G HN 0.368 nan 8.290 nan 0.000 0.533 463 R N 0.752 121.239 120.500 -0.022 0.000 2.389 463 R HA 0.510 4.850 4.340 -0.000 0.000 0.295 463 R C 0.287 176.699 176.300 0.186 0.000 1.075 463 R CA 0.182 56.314 56.100 0.054 0.000 1.005 463 R CB 0.265 30.571 30.300 0.011 0.000 0.987 463 R HN 0.528 nan 8.270 nan 0.000 0.452 464 Q N 2.183 122.099 119.800 0.193 0.000 2.552 464 Q HA 0.525 4.865 4.340 -0.000 0.000 0.289 464 Q C -1.427 174.566 176.000 -0.011 0.000 1.097 464 Q CA -1.067 54.824 55.803 0.147 0.000 0.812 464 Q CB 2.592 31.357 28.738 0.045 0.000 1.460 464 Q HN 0.506 nan 8.270 nan 0.000 0.452 465 K N -0.684 119.552 120.400 -0.274 0.000 2.740 465 K HA 0.496 4.816 4.320 -0.000 0.000 0.279 465 K C -2.357 174.043 176.600 -0.334 0.000 1.038 465 K CA -0.408 55.661 56.287 -0.363 0.000 0.887 465 K CB 1.630 33.749 32.500 -0.635 0.000 1.411 465 K HN 0.360 nan 8.250 nan 0.000 0.381 466 V N 3.131 122.930 119.914 -0.191 0.000 2.697 466 V HA 0.455 4.575 4.120 -0.000 0.000 0.300 466 V C -1.363 174.683 176.094 -0.079 0.000 1.115 466 V CA -0.768 61.458 62.300 -0.122 0.000 0.912 466 V CB 2.040 33.820 31.823 -0.071 0.000 1.024 466 V HN 0.568 nan 8.190 nan 0.000 0.431 467 V N 7.293 127.172 119.914 -0.059 0.000 2.409 467 V HA 0.489 4.609 4.120 -0.000 0.000 0.291 467 V C -2.327 173.762 176.094 -0.009 0.000 1.020 467 V CA -1.981 60.303 62.300 -0.026 0.000 0.848 467 V CB 2.330 34.145 31.823 -0.014 0.000 0.990 467 V HN 0.748 nan 8.190 nan 0.000 0.430 468 P HA 0.399 nan 4.420 nan 0.000 0.276 468 P C -1.095 176.209 177.300 0.007 0.000 1.243 468 P CA -0.052 63.048 63.100 0.001 0.000 0.768 468 P CB 0.758 32.458 31.700 -0.001 0.000 0.856 469 L N 2.636 123.865 121.223 0.010 0.000 2.370 469 L HA 0.712 5.052 4.340 -0.000 0.000 0.266 469 L C 0.491 177.367 176.870 0.010 0.000 1.002 469 L CA -0.581 54.266 54.840 0.012 0.000 0.818 469 L CB 2.467 44.537 42.059 0.018 0.000 1.325 469 L HN 0.352 nan 8.230 nan 0.000 0.418 470 T N -1.719 112.840 114.554 0.008 0.000 2.876 470 T HA 0.490 4.840 4.350 -0.000 0.000 0.289 470 T C -0.097 174.606 174.700 0.005 0.000 1.014 470 T CA -0.689 61.414 62.100 0.006 0.000 0.986 470 T CB 1.553 70.423 68.868 0.005 0.000 1.021 470 T HN 0.615 nan 8.240 nan 0.000 0.458 471 N N 0.438 119.141 118.700 0.004 0.000 2.791 471 N HA -0.153 4.586 4.740 -0.000 0.000 0.250 471 N C -0.314 175.198 175.510 0.004 0.000 1.082 471 N CA 1.450 54.501 53.050 0.003 0.000 0.680 471 N CB -1.291 37.197 38.487 0.001 0.000 0.918 471 N HN 1.411 nan 8.380 nan 0.000 0.555 472 T N -3.897 110.660 114.554 0.005 0.000 2.731 472 T HA 0.717 5.067 4.350 -0.000 0.000 0.300 472 T C -0.249 174.454 174.700 0.005 0.000 1.283 472 T CA -0.077 62.027 62.100 0.008 0.000 1.005 472 T CB 2.334 71.211 68.868 0.015 0.000 1.420 472 T HN 0.206 nan 8.240 nan 0.000 0.503 473 T N -1.078 113.479 114.554 0.004 0.000 2.926 473 T HA 0.422 4.772 4.350 -0.000 0.000 0.289 473 T C 1.136 175.835 174.700 -0.000 0.000 1.054 473 T CA -0.637 61.459 62.100 -0.007 0.000 1.015 473 T CB 1.304 70.156 68.868 -0.027 0.000 1.167 473 T HN 0.638 nan 8.240 nan 0.000 0.526 474 N N 0.821 119.517 118.700 -0.007 0.000 2.021 474 N HA -0.205 4.535 4.740 -0.000 0.000 0.198 474 N C 1.814 177.337 175.510 0.021 0.000 1.041 474 N CA 1.826 54.881 53.050 0.008 0.000 0.862 474 N CB -0.191 38.297 38.487 0.002 0.000 1.048 474 N HN 0.640 nan 8.380 nan 0.000 0.427 475 Q N 0.853 120.628 119.800 -0.043 0.000 2.156 475 Q HA -0.168 4.172 4.340 -0.000 0.000 0.211 475 Q C 2.032 178.125 176.000 0.155 0.000 0.995 475 Q CA 1.379 57.177 55.803 -0.009 0.000 0.877 475 Q CB -0.059 28.432 28.738 -0.412 0.000 0.920 475 Q HN 0.325 nan 8.270 nan 0.000 0.416 476 K N -0.137 120.313 120.400 0.085 0.000 2.057 476 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 476 K C 2.426 179.078 176.600 0.087 0.000 1.049 476 K CA 1.838 58.181 56.287 0.093 0.000 0.931 476 K CB -0.493 32.037 32.500 0.050 0.000 0.714 476 K HN 0.450 nan 8.250 nan 0.000 0.440 477 T N -0.703 113.893 114.554 0.069 0.000 2.737 477 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 477 T C 1.721 176.475 174.700 0.090 0.000 1.038 477 T CA 1.117 63.258 62.100 0.067 0.000 1.144 477 T CB -0.274 68.623 68.868 0.049 0.000 0.866 477 T HN 0.279 nan 8.240 nan 0.000 0.434 478 E N 1.073 121.337 120.200 0.107 0.000 2.171 478 E HA -0.083 4.267 4.350 -0.000 0.000 0.197 478 E C 2.234 178.914 176.600 0.133 0.000 0.997 478 E CA 1.140 57.617 56.400 0.128 0.000 0.810 478 E CB -0.312 29.493 29.700 0.175 0.000 0.738 478 E HN 0.499 nan 8.360 nan 0.000 0.467 479 L N 0.049 121.357 121.223 0.141 0.000 2.168 479 L HA -0.111 4.229 4.340 -0.000 0.000 0.203 479 L C 2.636 179.574 176.870 0.113 0.000 1.078 479 L CA 0.780 55.686 54.840 0.109 0.000 0.780 479 L CB -0.250 41.869 42.059 0.100 0.000 0.939 479 L HN 0.121 nan 8.230 nan 0.000 0.451 480 Q N 0.445 120.312 119.800 0.111 0.000 2.181 480 Q HA -0.189 4.150 4.340 -0.000 0.000 0.205 480 Q C 2.117 178.214 176.000 0.162 0.000 0.980 480 Q CA 1.977 57.865 55.803 0.143 0.000 0.862 480 Q CB -0.075 28.723 28.738 0.099 0.000 0.905 480 Q HN 0.457 nan 8.270 nan 0.000 0.429 481 A N -0.120 122.772 122.820 0.121 0.000 1.898 481 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 481 A C 2.001 179.652 177.584 0.112 0.000 1.181 481 A CA 1.387 53.494 52.037 0.116 0.000 0.620 481 A CB -0.543 18.521 19.000 0.107 0.000 0.819 481 A HN 0.475 nan 8.150 nan 0.000 0.442 482 I N -2.121 118.504 120.570 0.092 0.000 2.439 482 I HA -0.182 3.988 4.170 -0.000 0.000 0.251 482 I C 2.342 178.477 176.117 0.029 0.000 1.139 482 I CA 1.112 62.437 61.300 0.042 0.000 1.438 482 I CB -0.220 37.800 38.000 0.032 0.000 1.085 482 I HN 0.527 nan 8.210 nan 0.000 0.427 483 Y N 0.879 121.159 120.300 -0.034 0.000 2.373 483 Y HA -0.181 4.369 4.550 -0.000 0.000 0.293 483 Y C 2.116 177.986 175.900 -0.051 0.000 1.129 483 Y CA 1.137 59.206 58.100 -0.052 0.000 1.226 483 Y CB -0.003 38.438 38.460 -0.031 0.000 1.000 483 Y HN 0.013 nan 8.280 nan 0.000 0.549 484 L N 0.567 121.762 121.223 -0.046 0.000 1.961 484 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 484 L C 2.683 179.460 176.870 -0.155 0.000 1.072 484 L CA 2.228 57.034 54.840 -0.056 0.000 0.749 484 L CB -1.618 40.513 42.059 0.120 0.000 0.889 484 L HN 0.268 nan 8.230 nan 0.000 0.432 485 A N -0.884 121.823 122.820 -0.189 0.000 1.958 485 A HA -0.243 4.077 4.320 -0.000 0.000 0.221 485 A C 2.324 179.392 177.584 -0.860 0.000 1.178 485 A CA 2.192 53.712 52.037 -0.862 0.000 0.642 485 A CB -0.940 17.637 19.000 -0.704 0.000 0.816 485 A HN 0.478 nan 8.150 nan 0.000 0.453 486 L N -1.212 119.709 121.223 -0.503 0.000 1.994 486 L HA -0.265 4.075 4.340 -0.000 0.000 0.208 486 L C 2.946 179.569 176.870 -0.412 0.000 1.071 486 L CA 1.795 56.385 54.840 -0.416 0.000 0.745 486 L CB -0.622 41.256 42.059 -0.301 0.000 0.892 486 L HN 0.476 nan 8.230 nan 0.000 0.431 487 Q N -0.225 119.288 119.800 -0.480 0.000 2.112 487 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 487 Q C 1.308 177.175 176.000 -0.222 0.000 0.987 487 Q CA 1.850 57.434 55.803 -0.365 0.000 0.858 487 Q CB -0.092 28.408 28.738 -0.396 0.000 0.905 487 Q HN 0.504 nan 8.270 nan 0.000 0.420 488 D N -0.397 119.860 120.400 -0.238 0.000 2.339 488 D HA 0.009 4.649 4.640 -0.000 0.000 0.217 488 D C 0.779 177.015 176.300 -0.106 0.000 1.050 488 D CA 0.291 54.228 54.000 -0.106 0.000 0.856 488 D CB 0.165 41.007 40.800 0.070 0.000 0.922 488 D HN 0.162 nan 8.370 nan 0.000 0.518 489 S N -0.808 114.708 115.700 -0.306 0.000 2.607 489 S HA 0.673 5.143 4.470 -0.000 0.000 0.272 489 S C 0.768 175.359 174.600 -0.015 0.000 1.166 489 S CA -0.554 57.597 58.200 -0.083 0.000 1.021 489 S CB 1.226 64.273 63.200 -0.255 0.000 1.113 489 S HN 0.079 nan 8.310 nan 0.000 0.531 490 G N -1.287 107.531 108.800 0.030 0.000 2.932 490 G HA2 0.519 4.479 3.960 -0.000 0.000 0.283 490 G HA3 0.519 4.479 3.960 -0.000 0.000 0.283 490 G C 0.574 175.473 174.900 -0.002 0.000 1.336 490 G CA -1.055 44.052 45.100 0.012 0.000 1.056 490 G HN 0.656 nan 8.290 nan 0.000 0.522 491 L N -0.865 120.359 121.223 0.002 0.000 2.103 491 L HA -0.107 4.233 4.340 -0.000 0.000 0.215 491 L C 1.140 178.016 176.870 0.010 0.000 1.080 491 L CA 1.467 56.309 54.840 0.003 0.000 0.764 491 L CB -0.353 41.712 42.059 0.010 0.000 0.890 491 L HN 0.423 nan 8.230 nan 0.000 0.435 492 E N -0.982 119.230 120.200 0.020 0.000 2.212 492 E HA 0.607 4.957 4.350 -0.000 0.000 0.268 492 E C -1.154 175.473 176.600 0.046 0.000 0.902 492 E CA -0.379 56.040 56.400 0.031 0.000 0.779 492 E CB 3.164 32.882 29.700 0.029 0.000 1.172 492 E HN -0.145 nan 8.360 nan 0.000 0.409 493 V N 2.534 122.483 119.914 0.059 0.000 3.147 493 V HA 0.389 4.509 4.120 -0.000 0.000 0.299 493 V C -1.949 174.214 176.094 0.115 0.000 1.302 493 V CA -0.710 61.645 62.300 0.093 0.000 1.015 493 V CB 2.636 34.488 31.823 0.048 0.000 1.086 493 V HN 0.663 nan 8.190 nan 0.000 0.437 494 N N 3.930 122.716 118.700 0.143 0.000 2.399 494 N HA 0.691 5.431 4.740 -0.000 0.000 0.280 494 N C -1.218 174.365 175.510 0.121 0.000 1.008 494 N CA -0.187 52.960 53.050 0.162 0.000 0.894 494 N CB 1.841 40.401 38.487 0.121 0.000 1.273 494 N HN 0.599 nan 8.380 nan 0.000 0.486 495 I N 1.626 122.238 120.570 0.071 0.000 2.406 495 I HA 0.411 4.581 4.170 -0.000 0.000 0.290 495 I C -0.592 175.487 176.117 -0.064 0.000 0.999 495 I CA -1.027 60.279 61.300 0.010 0.000 1.124 495 I CB 1.839 39.826 38.000 -0.021 0.000 1.289 495 I HN 0.021 nan 8.210 nan 0.000 0.441 496 V N 5.561 125.390 119.914 -0.143 0.000 2.417 496 V HA 0.510 4.630 4.120 -0.000 0.000 0.291 496 V C -0.016 176.022 176.094 -0.093 0.000 1.024 496 V CA -0.077 62.107 62.300 -0.194 0.000 0.861 496 V CB 2.089 33.627 31.823 -0.476 0.000 0.985 496 V HN 0.794 nan 8.190 nan 0.000 0.436 497 T N 3.092 117.607 114.554 -0.065 0.000 2.916 497 T HA 0.365 4.715 4.350 -0.000 0.000 0.292 497 T C 0.253 174.891 174.700 -0.104 0.000 1.055 497 T CA -0.488 61.600 62.100 -0.021 0.000 1.009 497 T CB 1.700 70.600 68.868 0.053 0.000 1.118 497 T HN 0.818 nan 8.240 nan 0.000 0.497 498 D N -0.543 119.809 120.400 -0.080 0.000 2.398 498 D HA 0.029 4.669 4.640 -0.000 0.000 0.210 498 D C 0.471 176.789 176.300 0.030 0.000 1.094 498 D CA -0.224 53.650 54.000 -0.209 0.000 0.839 498 D CB 0.252 40.953 40.800 -0.166 0.000 0.963 498 D HN 0.400 nan 8.370 nan 0.000 0.506 499 S N 0.174 115.998 115.700 0.207 0.000 2.448 499 S HA 0.207 4.677 4.470 -0.000 0.000 0.320 499 S C 1.005 175.842 174.600 0.395 0.000 1.071 499 S CA -0.605 57.791 58.200 0.328 0.000 1.113 499 S CB 2.083 65.421 63.200 0.230 0.000 0.972 499 S HN -0.019 nan 8.310 nan 0.000 0.465 500 Q N 2.407 122.430 119.800 0.372 0.000 2.045 500 Q HA -0.203 4.137 4.340 -0.000 0.000 0.206 500 Q C 1.320 177.361 176.000 0.069 0.000 0.991 500 Q CA 2.096 57.893 55.803 -0.010 0.000 0.851 500 Q CB -0.662 27.982 28.738 -0.156 0.000 0.911 500 Q HN 0.905 nan 8.270 nan 0.000 0.418 501 Y N 1.515 121.830 120.300 0.025 0.000 1.911 501 Y HA -0.410 4.140 4.550 -0.000 0.000 0.244 501 Y C 2.433 178.353 175.900 0.033 0.000 1.139 501 Y CA 1.854 59.971 58.100 0.029 0.000 1.070 501 Y CB -1.092 37.398 38.460 0.050 0.000 0.919 501 Y HN 0.120 nan 8.280 nan 0.000 0.497 502 A N 0.290 123.115 122.820 0.010 0.000 1.881 502 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 502 A C 2.306 179.827 177.584 -0.106 0.000 1.215 502 A CA 2.335 54.304 52.037 -0.113 0.000 0.648 502 A CB -1.608 17.430 19.000 0.063 0.000 0.832 502 A HN 0.655 nan 8.150 nan 0.000 0.455 503 L N -0.326 120.897 121.223 -0.000 0.000 1.951 503 L HA -0.158 4.182 4.340 -0.000 0.000 0.222 503 L C 2.524 179.352 176.870 -0.071 0.000 1.078 503 L CA 2.799 57.635 54.840 -0.007 0.000 0.778 503 L CB -1.306 40.780 42.059 0.045 0.000 0.893 503 L HN 0.420 nan 8.230 nan 0.000 0.436 504 G N -0.443 108.298 108.800 -0.099 0.000 2.777 504 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.217 504 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.217 504 G C 1.555 176.393 174.900 -0.103 0.000 1.295 504 G CA 1.691 46.733 45.100 -0.096 0.000 0.800 504 G HN 0.532 nan 8.290 nan 0.000 0.637 505 I N 0.377 120.825 120.570 -0.203 0.000 2.267 505 I HA -0.344 3.826 4.170 -0.000 0.000 0.239 505 I C 2.629 178.631 176.117 -0.192 0.000 0.984 505 I CA 1.637 62.761 61.300 -0.294 0.000 1.272 505 I CB -0.464 37.228 38.000 -0.514 0.000 0.976 505 I HN 0.196 nan 8.210 nan 0.000 0.407 506 I N -0.004 120.483 120.570 -0.138 0.000 2.099 506 I HA -0.330 3.840 4.170 -0.000 0.000 0.239 506 I C 2.625 178.770 176.117 0.047 0.000 1.066 506 I CA 1.782 63.058 61.300 -0.040 0.000 1.324 506 I CB -0.498 37.481 38.000 -0.035 0.000 1.037 506 I HN 0.246 nan 8.210 nan 0.000 0.401 507 Q N -0.226 119.590 119.800 0.025 0.000 2.197 507 Q HA -0.221 4.119 4.340 -0.000 0.000 0.207 507 Q C 2.127 178.186 176.000 0.098 0.000 0.984 507 Q CA 1.620 57.459 55.803 0.059 0.000 0.869 507 Q CB -0.430 28.322 28.738 0.024 0.000 0.906 507 Q HN 0.629 nan 8.270 nan 0.000 0.426 508 A N 0.557 123.434 122.820 0.096 0.000 2.234 508 A HA -0.227 4.093 4.320 -0.000 0.000 0.216 508 A C 0.559 178.226 177.584 0.139 0.000 1.167 508 A CA 0.946 53.079 52.037 0.160 0.000 0.698 508 A CB -0.331 18.747 19.000 0.130 0.000 0.779 508 A HN 0.496 nan 8.150 nan 0.000 0.475 509 Q N -2.502 117.363 119.800 0.109 0.000 2.453 509 Q HA -0.157 4.183 4.340 -0.000 0.000 0.294 509 Q C -2.116 173.925 176.000 0.069 0.000 1.295 509 Q CA 0.295 56.130 55.803 0.054 0.000 0.853 509 Q CB -2.046 26.637 28.738 -0.091 0.000 1.193 509 Q HN 0.512 nan 8.270 nan 0.000 0.461 510 P HA -0.145 nan 4.420 nan 0.000 0.264 510 P C 0.422 177.793 177.300 0.118 0.000 1.173 510 P CA 1.144 64.302 63.100 0.097 0.000 0.761 510 P CB 0.472 32.195 31.700 0.038 0.000 0.794 511 D N 2.391 122.845 120.400 0.090 0.000 2.162 511 D HA -0.038 4.602 4.640 -0.000 0.000 0.205 511 D C 0.403 176.674 176.300 -0.049 0.000 0.964 511 D CA 1.459 55.485 54.000 0.043 0.000 0.847 511 D CB 0.178 41.047 40.800 0.115 0.000 0.988 511 D HN 0.083 nan 8.370 nan 0.000 0.480 512 K N -1.673 118.734 120.400 0.010 0.000 2.499 512 K HA 0.587 4.907 4.320 -0.000 0.000 0.284 512 K C -1.569 175.074 176.600 0.072 0.000 1.039 512 K CA -0.798 55.485 56.287 -0.006 0.000 0.873 512 K CB 1.591 34.060 32.500 -0.052 0.000 1.545 512 K HN 0.006 nan 8.250 nan 0.000 0.402 513 S N 0.219 115.956 115.700 0.061 0.000 2.605 513 S HA 0.094 4.564 4.470 -0.000 0.000 0.324 513 S C -0.338 174.285 174.600 0.038 0.000 0.978 513 S CA -0.397 57.863 58.200 0.099 0.000 0.864 513 S CB 0.606 63.974 63.200 0.279 0.000 1.095 513 S HN 0.503 nan 8.310 nan 0.000 0.460 514 E N 1.831 122.035 120.200 0.008 0.000 2.455 514 E HA -0.086 4.264 4.350 -0.000 0.000 0.202 514 E C 0.586 177.180 176.600 -0.010 0.000 1.045 514 E CA 0.527 56.920 56.400 -0.011 0.000 0.872 514 E CB 0.006 29.694 29.700 -0.020 0.000 0.792 514 E HN 0.472 nan 8.360 nan 0.000 0.542 515 S N 1.435 117.141 115.700 0.009 0.000 3.355 515 S HA -0.043 4.427 4.470 -0.000 0.000 0.293 515 S C 1.090 175.690 174.600 -0.001 0.000 1.197 515 S CA -0.127 58.083 58.200 0.017 0.000 1.117 515 S CB -0.102 63.139 63.200 0.069 0.000 1.587 515 S HN 0.230 nan 8.310 nan 0.000 0.536 516 E N 2.690 122.872 120.200 -0.030 0.000 2.271 516 E HA -0.257 4.093 4.350 -0.000 0.000 0.209 516 E C 1.585 178.121 176.600 -0.107 0.000 1.046 516 E CA 1.591 57.953 56.400 -0.062 0.000 0.840 516 E CB -0.131 29.531 29.700 -0.063 0.000 0.738 516 E HN 0.737 nan 8.360 nan 0.000 0.470 517 L N 0.181 121.344 121.223 -0.099 0.000 1.948 517 L HA -0.184 4.156 4.340 -0.000 0.000 0.212 517 L C 2.347 179.117 176.870 -0.166 0.000 1.074 517 L CA 1.851 56.589 54.840 -0.170 0.000 0.753 517 L CB -1.007 40.997 42.059 -0.091 0.000 0.888 517 L HN 0.099 nan 8.230 nan 0.000 0.432 518 V N 1.010 120.888 119.914 -0.059 0.000 2.527 518 V HA -0.348 3.772 4.120 -0.000 0.000 0.255 518 V C 2.480 178.533 176.094 -0.069 0.000 1.081 518 V CA 1.928 64.201 62.300 -0.046 0.000 1.092 518 V CB -1.273 30.570 31.823 0.033 0.000 0.673 518 V HN 0.549 nan 8.190 nan 0.000 0.470 519 N N 0.067 118.722 118.700 -0.076 0.000 2.080 519 N HA -0.172 4.568 4.740 -0.000 0.000 0.189 519 N C 1.996 177.446 175.510 -0.099 0.000 1.036 519 N CA 1.519 54.519 53.050 -0.082 0.000 0.846 519 N CB -0.291 38.149 38.487 -0.078 0.000 1.015 519 N HN 0.585 nan 8.380 nan 0.000 0.423 520 Q N 0.534 120.237 119.800 -0.162 0.000 2.152 520 Q HA -0.110 4.230 4.340 -0.000 0.000 0.206 520 Q C 2.129 178.137 176.000 0.013 0.000 0.985 520 Q CA 1.139 56.836 55.803 -0.176 0.000 0.863 520 Q CB -0.055 28.314 28.738 -0.616 0.000 0.904 520 Q HN 0.420 nan 8.270 nan 0.000 0.422 521 I N 0.076 120.619 120.570 -0.045 0.000 2.141 521 I HA -0.277 3.893 4.170 -0.000 0.000 0.236 521 I C 2.185 178.278 176.117 -0.040 0.000 1.071 521 I CA 0.961 62.317 61.300 0.093 0.000 1.345 521 I CB -0.345 37.672 38.000 0.029 0.000 1.066 521 I HN 0.204 nan 8.210 nan 0.000 0.406 522 I N 0.864 121.377 120.570 -0.095 0.000 2.143 522 I HA -0.358 3.812 4.170 -0.000 0.000 0.245 522 I C 2.411 178.421 176.117 -0.178 0.000 1.068 522 I CA 1.760 62.965 61.300 -0.160 0.000 1.326 522 I CB -0.659 37.296 38.000 -0.075 0.000 1.028 522 I HN 0.347 nan 8.210 nan 0.000 0.412 523 E N 0.126 120.265 120.200 -0.101 0.000 2.204 523 E HA -0.220 4.130 4.350 -0.000 0.000 0.194 523 E C 2.186 178.753 176.600 -0.056 0.000 0.989 523 E CA 0.712 57.067 56.400 -0.076 0.000 0.824 523 E CB -0.101 29.567 29.700 -0.052 0.000 0.756 523 E HN 0.535 nan 8.360 nan 0.000 0.477 524 Q N 0.440 120.217 119.800 -0.038 0.000 2.137 524 Q HA -0.038 4.302 4.340 -0.000 0.000 0.198 524 Q C 2.388 178.315 176.000 -0.122 0.000 0.960 524 Q CA 0.562 56.334 55.803 -0.052 0.000 0.847 524 Q CB 0.015 28.732 28.738 -0.036 0.000 0.915 524 Q HN 0.374 nan 8.270 nan 0.000 0.448 525 L N 0.193 121.284 121.223 -0.221 0.000 2.042 525 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 525 L C 2.396 179.096 176.870 -0.284 0.000 1.076 525 L CA 1.044 55.657 54.840 -0.379 0.000 0.749 525 L CB -0.450 41.106 42.059 -0.838 0.000 0.893 525 L HN 0.220 nan 8.230 nan 0.000 0.432 526 I N -0.099 120.355 120.570 -0.192 0.000 2.226 526 I HA -0.322 3.848 4.170 -0.000 0.000 0.245 526 I C 2.658 178.802 176.117 0.045 0.000 1.100 526 I CA 1.366 62.684 61.300 0.030 0.000 1.374 526 I CB -0.214 37.842 38.000 0.093 0.000 1.057 526 I HN 0.241 nan 8.210 nan 0.000 0.413 527 K N 0.933 121.334 120.400 0.002 0.000 2.283 527 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 527 K C 0.730 177.331 176.600 0.002 0.000 1.048 527 K CA 0.753 57.046 56.287 0.010 0.000 0.948 527 K CB 0.276 32.773 32.500 -0.005 0.000 0.742 527 K HN -0.003 nan 8.250 nan 0.000 0.458 528 K N 0.854 121.243 120.400 -0.018 0.000 2.138 528 K HA -0.011 4.309 4.320 -0.000 0.000 0.251 528 K C 0.706 177.317 176.600 0.019 0.000 1.015 528 K CA 0.268 56.547 56.287 -0.014 0.000 0.917 528 K CB 1.195 33.673 32.500 -0.037 0.000 1.021 528 K HN 0.130 nan 8.250 nan 0.000 0.485 529 E N 0.892 121.105 120.200 0.022 0.000 2.079 529 E HA -0.004 4.346 4.350 -0.000 0.000 0.191 529 E C -0.512 176.117 176.600 0.049 0.000 0.961 529 E CA 0.883 57.305 56.400 0.036 0.000 0.823 529 E CB 0.464 30.181 29.700 0.028 0.000 0.789 529 E HN 0.303 nan 8.360 nan 0.000 0.459 530 K N 0.440 120.868 120.400 0.045 0.000 2.581 530 K HA 0.386 4.706 4.320 -0.000 0.000 0.249 530 K C -1.620 175.020 176.600 0.067 0.000 0.966 530 K CA -0.469 55.856 56.287 0.063 0.000 0.811 530 K CB 2.937 35.471 32.500 0.056 0.000 1.223 530 K HN -0.131 nan 8.250 nan 0.000 0.438 531 V N 2.524 122.488 119.914 0.083 0.000 2.815 531 V HA 0.502 4.622 4.120 -0.000 0.000 0.314 531 V C -1.300 174.884 176.094 0.149 0.000 1.064 531 V CA -0.915 61.431 62.300 0.077 0.000 0.952 531 V CB 1.680 33.516 31.823 0.021 0.000 1.020 531 V HN 0.748 nan 8.190 nan 0.000 0.439 532 Y N 3.313 123.620 120.300 0.012 0.000 2.396 532 Y HA 0.704 5.254 4.550 -0.000 0.000 0.332 532 Y C -1.397 174.508 175.900 0.008 0.000 1.034 532 Y CA -0.619 57.491 58.100 0.017 0.000 1.057 532 Y CB 1.483 39.950 38.460 0.011 0.000 1.220 532 Y HN 0.544 nan 8.280 nan 0.000 0.440 533 L N 5.541 126.426 121.223 -0.564 0.000 2.334 533 L HA 0.976 5.316 4.340 -0.000 0.000 0.273 533 L C -0.709 175.828 176.870 -0.556 0.000 1.013 533 L CA -1.086 53.526 54.840 -0.381 0.000 0.816 533 L CB 1.986 43.929 42.059 -0.192 0.000 1.278 533 L HN 0.810 nan 8.230 nan 0.000 0.431 534 A N 1.694 124.364 122.820 -0.249 0.000 2.422 534 A HA 0.509 4.829 4.320 -0.000 0.000 0.302 534 A C -1.830 175.765 177.584 0.018 0.000 1.041 534 A CA -0.428 51.535 52.037 -0.123 0.000 0.708 534 A CB 1.144 20.140 19.000 -0.007 0.000 1.257 534 A HN 0.706 nan 8.150 nan 0.000 0.414 535 W N 2.211 123.462 121.300 -0.083 0.000 2.359 535 W HA 0.637 5.297 4.660 -0.000 0.000 0.344 535 W C -1.006 175.501 176.519 -0.020 0.000 1.170 535 W CA -0.103 57.213 57.345 -0.049 0.000 1.296 535 W CB 1.331 30.764 29.460 -0.045 0.000 1.197 535 W HN 0.556 nan 8.180 nan 0.000 0.618 536 V N 5.983 125.203 119.914 -1.157 0.000 2.775 536 V HA 0.166 4.286 4.120 -0.000 0.000 0.295 536 V C -2.106 173.165 176.094 -1.371 0.000 1.226 536 V CA -1.735 59.992 62.300 -0.955 0.000 0.934 536 V CB 1.943 33.521 31.823 -0.408 0.000 1.056 536 V HN 0.449 nan 8.190 nan 0.000 0.436 537 P HA 0.038 nan 4.420 nan 0.000 0.263 537 P C 0.417 177.473 177.300 -0.407 0.000 1.168 537 P CA 0.831 63.486 63.100 -0.742 0.000 0.759 537 P CB 0.610 32.144 31.700 -0.277 0.000 0.782 538 A N 4.776 127.429 122.820 -0.277 0.000 3.164 538 A HA -0.156 4.164 4.320 -0.000 0.000 0.156 538 A C 1.494 178.969 177.584 -0.181 0.000 1.114 538 A CA 1.375 53.245 52.037 -0.278 0.000 0.992 538 A CB -1.779 16.958 19.000 -0.439 0.000 0.925 538 A HN 0.717 nan 8.150 nan 0.000 0.541 539 H N 0.534 119.602 119.070 -0.004 0.000 1.988 539 H HA -0.340 4.216 4.556 -0.000 0.000 0.173 539 H C 2.021 177.342 175.328 -0.010 0.000 1.087 539 H CA 2.771 58.818 56.048 -0.000 0.000 1.682 539 H CB -0.477 29.292 29.762 0.012 0.000 2.050 539 H HN 0.701 nan 8.280 nan 0.000 0.910 540 K N 1.798 122.290 120.400 0.153 0.000 2.074 540 K HA -0.111 4.209 4.320 -0.000 0.000 0.209 540 K C 1.906 178.518 176.600 0.020 0.000 1.048 540 K CA 1.209 57.537 56.287 0.068 0.000 0.926 540 K CB -0.786 31.750 32.500 0.061 0.000 0.713 540 K HN 0.413 nan 8.250 nan 0.000 0.444 541 G N 2.398 111.189 108.800 -0.015 0.000 1.880 541 G HA2 -0.216 3.744 3.960 -0.000 0.000 1.006 541 G HA3 -0.216 3.744 3.960 -0.000 0.000 1.006 541 G C 0.480 175.357 174.900 -0.038 0.000 1.140 541 G CA 0.290 45.354 45.100 -0.060 0.000 1.368 541 G HN 0.409 nan 8.290 nan 0.000 0.722 542 I N 0.401 120.943 120.570 -0.047 0.000 3.366 542 I HA 0.029 4.199 4.170 -0.000 0.000 0.283 542 I C 1.784 177.894 176.117 -0.011 0.000 1.290 542 I CA 1.187 62.483 61.300 -0.007 0.000 1.353 542 I CB 0.595 38.624 38.000 0.048 0.000 1.343 542 I HN 0.457 nan 8.210 nan 0.000 0.607 543 G N 2.764 111.548 108.800 -0.026 0.000 2.887 543 G HA2 0.042 4.002 3.960 -0.000 0.000 0.211 543 G HA3 0.042 4.002 3.960 -0.000 0.000 0.211 543 G C 1.154 176.020 174.900 -0.056 0.000 1.152 543 G CA 0.477 45.553 45.100 -0.040 0.000 0.769 543 G HN 0.844 nan 8.290 nan 0.000 0.541 544 G N 0.908 109.663 108.800 -0.075 0.000 2.430 544 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.216 544 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.216 544 G C 1.469 176.386 174.900 0.028 0.000 1.146 544 G CA 0.634 45.684 45.100 -0.084 0.000 0.793 544 G HN 0.509 nan 8.290 nan 0.000 0.537 545 N N 0.004 118.737 118.700 0.057 0.000 2.354 545 N HA -0.036 4.704 4.740 -0.000 0.000 0.179 545 N C 1.964 177.490 175.510 0.025 0.000 1.021 545 N CA 0.365 53.446 53.050 0.051 0.000 0.887 545 N CB 0.037 38.539 38.487 0.026 0.000 0.974 545 N HN 0.200 nan 8.380 nan 0.000 0.437 546 E N 1.905 122.112 120.200 0.012 0.000 2.028 546 E HA -0.186 4.164 4.350 -0.000 0.000 0.191 546 E C 1.347 177.952 176.600 0.009 0.000 0.988 546 E CA 1.228 57.635 56.400 0.011 0.000 0.799 546 E CB 0.018 29.720 29.700 0.003 0.000 0.755 546 E HN 0.385 nan 8.360 nan 0.000 0.447 547 Q N -0.184 119.615 119.800 -0.001 0.000 2.576 547 Q HA -0.086 4.254 4.340 -0.000 0.000 0.218 547 Q C 1.744 177.748 176.000 0.007 0.000 0.983 547 Q CA 0.630 56.431 55.803 -0.004 0.000 0.920 547 Q CB 0.267 28.992 28.738 -0.022 0.000 0.973 547 Q HN 0.162 nan 8.270 nan 0.000 0.528 548 V N -1.273 118.652 119.914 0.019 0.000 3.484 548 V HA -0.037 4.083 4.120 -0.000 0.000 0.252 548 V C 1.264 177.371 176.094 0.021 0.000 1.282 548 V CA 0.503 62.818 62.300 0.024 0.000 1.104 548 V CB 0.305 32.156 31.823 0.046 0.000 0.868 548 V HN 0.179 nan 8.190 nan 0.000 0.457 549 D N 0.888 121.303 120.400 0.024 0.000 2.162 549 D HA -0.123 4.517 4.640 -0.000 0.000 0.203 549 D C 2.064 178.376 176.300 0.021 0.000 0.967 549 D CA 1.011 55.026 54.000 0.026 0.000 0.840 549 D CB 0.176 40.996 40.800 0.033 0.000 0.972 549 D HN 0.369 nan 8.370 nan 0.000 0.482 550 K N 0.718 121.128 120.400 0.016 0.000 2.209 550 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 550 K C 2.155 178.760 176.600 0.008 0.000 1.048 550 K CA 0.513 56.806 56.287 0.011 0.000 0.940 550 K CB 0.048 32.553 32.500 0.007 0.000 0.729 550 K HN 0.098 nan 8.250 nan 0.000 0.451 551 L N 0.715 121.943 121.223 0.007 0.000 2.007 551 L HA -0.072 4.268 4.340 -0.000 0.000 0.205 551 L C 1.345 178.217 176.870 0.004 0.000 1.073 551 L CA 0.367 55.209 54.840 0.003 0.000 0.744 551 L CB -0.393 41.666 42.059 -0.000 0.000 0.898 551 L HN -0.069 nan 8.230 nan 0.000 0.435 552 V N 0.000 119.919 119.914 0.008 0.000 2.409 552 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 552 V CA 0.000 62.306 62.300 0.009 0.000 1.235 552 V CB 0.000 31.832 31.823 0.016 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556