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 3m8q_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKXXXSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC 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 RGRQKVVTLT DTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DQSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSAGIR 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 0.000 177.356 177.300 0.094 0.000 1.155 1 P CA 0.000 63.139 63.100 0.065 0.000 0.800 1 P CB 0.000 31.730 31.700 0.050 0.000 0.726 2 I N 0.290 120.911 120.570 0.086 0.000 2.448 2 I HA 0.249 4.419 4.170 0.000 0.000 0.281 2 I C 0.549 176.729 176.117 0.106 0.000 1.027 2 I CA -0.615 60.750 61.300 0.108 0.000 1.111 2 I CB 1.773 39.827 38.000 0.090 0.000 1.236 2 I HN 0.404 nan 8.210 nan 0.000 0.452 3 S N 7.632 123.418 115.700 0.144 0.000 2.643 3 S HA 0.011 4.481 4.470 0.000 0.000 0.310 3 S C -0.972 173.727 174.600 0.166 0.000 1.253 3 S CA -0.545 57.762 58.200 0.178 0.000 1.047 3 S CB 0.568 63.903 63.200 0.224 0.000 0.767 3 S HN 0.519 nan 8.310 nan 0.000 0.498 4 P HA 0.047 nan 4.420 nan 0.000 0.237 4 P C 0.731 178.183 177.300 0.254 0.000 1.178 4 P CA -0.059 63.102 63.100 0.102 0.000 0.766 4 P CB -0.066 31.575 31.700 -0.099 0.000 0.876 5 I N 2.565 123.392 120.570 0.429 0.000 2.845 5 I HA -0.098 4.073 4.170 0.000 0.000 0.296 5 I C 0.893 177.124 176.117 0.189 0.000 1.216 5 I CA 0.337 61.847 61.300 0.349 0.000 1.438 5 I CB 0.237 38.337 38.000 0.167 0.000 1.342 5 I HN 0.155 nan 8.210 nan 0.000 0.577 6 E N 4.716 125.004 120.200 0.147 0.000 2.413 6 E HA 0.079 4.429 4.350 0.000 0.000 0.263 6 E C -0.029 176.623 176.600 0.086 0.000 1.015 6 E CA -0.548 55.915 56.400 0.104 0.000 0.916 6 E CB 0.190 29.942 29.700 0.086 0.000 0.947 6 E HN 0.655 nan 8.360 nan 0.000 0.440 7 T N -0.230 114.375 114.554 0.085 0.000 2.900 7 T HA 0.172 4.523 4.350 0.000 0.000 0.307 7 T C 0.299 175.047 174.700 0.081 0.000 1.065 7 T CA -0.936 61.216 62.100 0.086 0.000 1.105 7 T CB 0.961 69.883 68.868 0.091 0.000 0.979 7 T HN 0.319 nan 8.240 nan 0.000 0.544 8 V N 5.630 125.597 119.914 0.088 0.000 2.432 8 V HA 0.319 4.440 4.120 0.000 0.000 0.271 8 V C -1.727 174.432 176.094 0.108 0.000 1.046 8 V CA -1.748 60.609 62.300 0.094 0.000 0.945 8 V CB 0.684 32.571 31.823 0.106 0.000 0.992 8 V HN 0.865 nan 8.190 nan 0.000 0.471 9 P HA 0.195 nan 4.420 nan 0.000 0.271 9 P C -0.681 176.677 177.300 0.096 0.000 1.233 9 P CA 0.140 63.299 63.100 0.098 0.000 0.764 9 P CB 0.963 32.709 31.700 0.077 0.000 0.825 10 V N 4.576 124.551 119.914 0.101 0.000 2.732 10 V HA 0.503 4.623 4.120 0.000 0.000 0.310 10 V C 0.532 176.709 176.094 0.139 0.000 1.053 10 V CA -0.549 61.768 62.300 0.027 0.000 0.957 10 V CB 1.962 33.635 31.823 -0.250 0.000 1.018 10 V HN 0.463 nan 8.190 nan 0.000 0.452 11 K N 2.095 122.552 120.400 0.096 0.000 2.480 11 K HA 0.690 5.011 4.320 0.000 0.000 0.258 11 K C -1.326 175.379 176.600 0.175 0.000 0.990 11 K CA -0.869 55.520 56.287 0.170 0.000 0.857 11 K CB 2.665 35.200 32.500 0.059 0.000 1.384 11 K HN 0.411 nan 8.250 nan 0.000 0.446 12 L N 1.340 122.632 121.223 0.115 0.000 2.448 12 L HA 0.369 4.709 4.340 0.000 0.000 0.258 12 L C 0.183 177.050 176.870 -0.004 0.000 1.104 12 L CA -0.698 54.159 54.840 0.029 0.000 0.800 12 L CB 0.622 42.584 42.059 -0.161 0.000 1.241 12 L HN 0.364 nan 8.230 nan 0.000 0.472 13 K N 1.598 121.990 120.400 -0.013 0.000 2.412 13 K HA 0.051 4.371 4.320 0.000 0.000 0.281 13 K C -1.574 175.019 176.600 -0.012 0.000 1.027 13 K CA -1.183 55.094 56.287 -0.018 0.000 0.989 13 K CB 0.453 32.946 32.500 -0.012 0.000 0.935 13 K HN 0.264 nan 8.250 nan 0.000 0.475 14 P HA -0.288 nan 4.420 nan 0.000 0.223 14 P C 0.817 178.121 177.300 0.006 0.000 1.073 14 P CA 1.797 64.897 63.100 -0.000 0.000 1.008 14 P CB -0.006 31.694 31.700 -0.001 0.000 0.760 15 G N -2.009 106.794 108.800 0.006 0.000 3.496 15 G HA2 0.361 4.321 3.960 0.000 0.000 0.273 15 G HA3 0.361 4.321 3.960 0.000 0.000 0.273 15 G C 0.215 175.122 174.900 0.012 0.000 1.279 15 G CA -0.081 45.027 45.100 0.012 0.000 1.041 15 G HN 0.192 nan 8.290 nan 0.000 0.539 16 M N 0.234 119.835 119.600 0.002 0.000 2.465 16 M HA 0.374 4.854 4.480 0.000 0.000 0.316 16 M C -1.367 174.917 176.300 -0.026 0.000 1.121 16 M CA -0.868 54.428 55.300 -0.006 0.000 0.934 16 M CB 2.519 35.111 32.600 -0.014 0.000 1.692 16 M HN -0.051 nan 8.290 nan 0.000 0.444 17 D N 0.841 121.238 120.400 -0.004 0.000 2.272 17 D HA 0.555 5.195 4.640 0.000 0.000 0.247 17 D C 0.026 176.288 176.300 -0.063 0.000 0.990 17 D CA 0.004 54.013 54.000 0.015 0.000 0.931 17 D CB 1.656 42.536 40.800 0.134 0.000 1.195 17 D HN 0.691 nan 8.370 nan 0.000 0.477 18 G N 1.120 109.810 108.800 -0.184 0.000 2.720 18 G HA2 0.236 4.196 3.960 0.000 0.000 0.237 18 G HA3 0.236 4.196 3.960 0.000 0.000 0.237 18 G C -2.161 172.790 174.900 0.084 0.000 1.239 18 G CA -0.767 44.132 45.100 -0.334 0.000 0.847 18 G HN 0.463 nan 8.290 nan 0.000 0.593 19 P HA 0.234 nan 4.420 nan 0.000 0.276 19 P C -0.757 176.702 177.300 0.266 0.000 1.230 19 P CA -0.082 63.125 63.100 0.178 0.000 0.776 19 P CB 1.080 32.877 31.700 0.163 0.000 0.888 20 K N 1.907 122.426 120.400 0.200 0.000 3.022 20 K HA 0.295 4.615 4.320 0.000 0.000 0.178 20 K C -0.749 175.923 176.600 0.119 0.000 1.089 20 K CA -0.469 55.917 56.287 0.164 0.000 0.916 20 K CB 0.810 33.390 32.500 0.133 0.000 1.159 20 K HN 0.224 nan 8.250 nan 0.000 0.592 21 V N 1.334 121.322 119.914 0.124 0.000 2.432 21 V HA 0.204 4.324 4.120 0.000 0.000 0.275 21 V C 0.459 176.617 176.094 0.106 0.000 1.043 21 V CA -0.913 61.449 62.300 0.104 0.000 0.925 21 V CB 1.071 32.952 31.823 0.097 0.000 0.985 21 V HN 0.375 nan 8.190 nan 0.000 0.466 22 K N 3.236 123.697 120.400 0.102 0.000 2.401 22 K HA 0.114 4.435 4.320 0.000 0.000 0.278 22 K C 0.069 176.755 176.600 0.143 0.000 1.018 22 K CA -0.337 56.017 56.287 0.111 0.000 0.981 22 K CB 0.622 33.188 32.500 0.110 0.000 0.933 22 K HN 0.752 nan 8.250 nan 0.000 0.477 23 Q N 5.250 125.132 119.800 0.138 0.000 2.295 23 Q HA 0.007 4.347 4.340 0.000 0.000 0.259 23 Q C -1.186 174.936 176.000 0.204 0.000 0.976 23 Q CA -0.209 55.694 55.803 0.168 0.000 0.923 23 Q CB 0.478 29.297 28.738 0.135 0.000 1.185 23 Q HN 0.568 nan 8.270 nan 0.000 0.410 24 W N 7.391 128.724 121.300 0.054 0.000 2.216 24 W HA 0.293 4.953 4.660 0.000 0.000 0.326 24 W C -2.415 174.141 176.519 0.061 0.000 1.319 24 W CA -2.107 55.268 57.345 0.050 0.000 1.213 24 W CB 0.829 30.317 29.460 0.046 0.000 1.171 24 W HN 0.561 nan 8.180 nan 0.000 0.557 25 P HA 0.061 nan 4.420 nan 0.000 0.267 25 P C -0.548 176.568 177.300 -0.306 0.000 1.209 25 P CA 0.575 63.422 63.100 -0.422 0.000 0.763 25 P CB 0.520 31.917 31.700 -0.505 0.000 0.816 26 L N 1.741 122.927 121.223 -0.062 0.000 2.358 26 L HA 0.437 4.777 4.340 0.000 0.000 0.268 26 L C 1.179 178.053 176.870 0.007 0.000 1.032 26 L CA -0.765 54.108 54.840 0.055 0.000 0.805 26 L CB 0.892 43.011 42.059 0.100 0.000 1.253 26 L HN 0.217 nan 8.230 nan 0.000 0.452 27 T N -0.165 114.413 114.554 0.039 0.000 2.900 27 T HA -0.019 4.332 4.350 0.000 0.000 0.307 27 T C 1.146 175.823 174.700 -0.039 0.000 1.065 27 T CA -0.003 62.105 62.100 0.014 0.000 1.105 27 T CB 0.602 69.504 68.868 0.057 0.000 0.979 27 T HN 0.616 nan 8.240 nan 0.000 0.544 28 E N 1.558 121.735 120.200 -0.038 0.000 2.110 28 E HA -0.169 4.181 4.350 0.000 0.000 0.193 28 E C 1.946 178.484 176.600 -0.104 0.000 0.988 28 E CA 1.423 57.787 56.400 -0.059 0.000 0.804 28 E CB 0.126 29.803 29.700 -0.037 0.000 0.745 28 E HN 0.704 nan 8.360 nan 0.000 0.458 29 E N 0.880 121.018 120.200 -0.103 0.000 2.051 29 E HA -0.177 4.173 4.350 0.000 0.000 0.192 29 E C 1.999 178.312 176.600 -0.479 0.000 0.991 29 E CA 1.007 57.296 56.400 -0.185 0.000 0.799 29 E CB -0.048 29.646 29.700 -0.009 0.000 0.748 29 E HN 0.107 nan 8.360 nan 0.000 0.449 30 K N 0.607 120.759 120.400 -0.414 0.000 2.057 30 K HA -0.111 4.210 4.320 0.000 0.000 0.207 30 K C 2.217 178.608 176.600 -0.348 0.000 1.049 30 K CA 1.148 57.138 56.287 -0.495 0.000 0.931 30 K CB -0.178 32.165 32.500 -0.262 0.000 0.714 30 K HN 0.124 nan 8.250 nan 0.000 0.440 31 I N 1.282 121.729 120.570 -0.204 0.000 2.226 31 I HA -0.296 3.874 4.170 0.000 0.000 0.245 31 I C 2.590 178.613 176.117 -0.155 0.000 1.100 31 I CA 1.230 62.453 61.300 -0.129 0.000 1.374 31 I CB -0.212 37.742 38.000 -0.077 0.000 1.057 31 I HN 0.155 nan 8.210 nan 0.000 0.413 32 K N 1.291 121.570 120.400 -0.201 0.000 2.026 32 K HA -0.202 4.118 4.320 0.000 0.000 0.208 32 K C 2.244 178.691 176.600 -0.256 0.000 1.048 32 K CA 1.589 57.761 56.287 -0.190 0.000 0.929 32 K CB -0.139 32.255 32.500 -0.176 0.000 0.713 32 K HN 0.289 nan 8.250 nan 0.000 0.439 33 A N 1.434 123.967 122.820 -0.477 0.000 1.877 33 A HA -0.145 4.175 4.320 0.000 0.000 0.216 33 A C 2.161 179.577 177.584 -0.281 0.000 1.186 33 A CA 1.415 53.107 52.037 -0.575 0.000 0.620 33 A CB -0.710 17.507 19.000 -1.305 0.000 0.822 33 A HN 0.326 nan 8.150 nan 0.000 0.443 34 L N -0.584 120.502 121.223 -0.227 0.000 2.042 34 L HA -0.181 4.159 4.340 0.000 0.000 0.210 34 L C 2.569 179.424 176.870 -0.024 0.000 1.076 34 L CA 1.210 56.002 54.840 -0.081 0.000 0.749 34 L CB -0.667 41.376 42.059 -0.027 0.000 0.893 34 L HN 0.256 nan 8.230 nan 0.000 0.432 35 V N -0.104 119.793 119.914 -0.030 0.000 2.287 35 V HA -0.328 3.793 4.120 0.000 0.000 0.248 35 V C 2.502 178.594 176.094 -0.005 0.000 1.053 35 V CA 2.065 64.373 62.300 0.012 0.000 1.027 35 V CB -0.452 31.369 31.823 -0.003 0.000 0.646 35 V HN 0.496 nan 8.190 nan 0.000 0.447 36 E N -0.082 120.095 120.200 -0.038 0.000 2.038 36 E HA -0.240 4.110 4.350 0.000 0.000 0.195 36 E C 2.180 178.771 176.600 -0.014 0.000 1.000 36 E CA 1.979 58.363 56.400 -0.027 0.000 0.803 36 E CB -0.187 29.489 29.700 -0.040 0.000 0.750 36 E HN 0.613 nan 8.360 nan 0.000 0.448 37 I N 0.444 121.004 120.570 -0.017 0.000 2.179 37 I HA -0.345 3.825 4.170 0.000 0.000 0.242 37 I C 2.658 178.751 176.117 -0.039 0.000 1.088 37 I CA 0.786 62.086 61.300 0.000 0.000 1.357 37 I CB -0.310 37.705 38.000 0.025 0.000 1.051 37 I HN 0.325 nan 8.210 nan 0.000 0.409 38 C N 0.212 119.468 119.300 -0.074 0.000 2.440 38 C HA -0.139 4.322 4.460 0.000 0.000 0.278 38 C C 3.048 177.923 174.990 -0.191 0.000 1.295 38 C CA 1.431 60.320 59.018 -0.215 0.000 1.738 38 C CB -1.092 26.474 27.740 -0.290 0.000 1.987 38 C HN 0.509 nan 8.230 nan 0.000 0.492 39 T N 0.077 114.602 114.554 -0.049 0.000 2.746 39 T HA -0.205 4.145 4.350 0.000 0.000 0.267 39 T C 1.755 176.441 174.700 -0.024 0.000 1.039 39 T CA 1.534 63.633 62.100 -0.002 0.000 1.142 39 T CB -0.287 68.595 68.868 0.023 0.000 0.866 39 T HN 0.652 nan 8.240 nan 0.000 0.444 40 E N 0.135 120.319 120.200 -0.027 0.000 2.150 40 E HA -0.031 4.319 4.350 0.000 0.000 0.193 40 E C 2.166 178.745 176.600 -0.034 0.000 0.985 40 E CA 0.720 57.110 56.400 -0.016 0.000 0.814 40 E CB -0.053 29.650 29.700 0.005 0.000 0.752 40 E HN 0.485 nan 8.360 nan 0.000 0.466 41 M N 0.023 119.575 119.600 -0.080 0.000 2.156 41 M HA -0.117 4.363 4.480 0.000 0.000 0.264 41 M C 2.320 178.534 176.300 -0.144 0.000 1.067 41 M CA 1.118 56.340 55.300 -0.130 0.000 1.131 41 M CB -0.148 32.314 32.600 -0.230 0.000 1.368 41 M HN 0.083 nan 8.290 nan 0.000 0.416 42 E N 0.985 121.097 120.200 -0.148 0.000 2.077 42 E HA -0.226 4.124 4.350 0.000 0.000 0.193 42 E C 1.731 178.311 176.600 -0.032 0.000 0.989 42 E CA 1.390 57.742 56.400 -0.079 0.000 0.800 42 E CB 0.122 29.830 29.700 0.012 0.000 0.746 42 E HN 0.373 nan 8.360 nan 0.000 0.452 43 K N 0.149 120.536 120.400 -0.023 0.000 2.280 43 K HA -0.117 4.203 4.320 0.000 0.000 0.202 43 K C 1.588 178.182 176.600 -0.010 0.000 1.047 43 K CA 1.195 57.477 56.287 -0.009 0.000 0.942 43 K CB 0.101 32.599 32.500 -0.003 0.000 0.739 43 K HN 0.174 nan 8.250 nan 0.000 0.457 44 E N -1.046 119.142 120.200 -0.018 0.000 2.474 44 E HA 0.062 4.412 4.350 0.000 0.000 0.195 44 E C 0.677 177.270 176.600 -0.012 0.000 1.039 44 E CA 0.276 56.672 56.400 -0.008 0.000 0.881 44 E CB 0.740 30.442 29.700 0.004 0.000 0.970 44 E HN 0.415 nan 8.360 nan 0.000 0.486 45 G N 2.023 110.805 108.800 -0.029 0.000 2.159 45 G HA2 -0.311 3.650 3.960 0.000 0.000 0.256 45 G HA3 -0.311 3.650 3.960 0.000 0.000 0.256 45 G C 1.063 175.932 174.900 -0.051 0.000 0.977 45 G CA 0.639 45.722 45.100 -0.027 0.000 0.652 45 G HN 0.086 nan 8.290 nan 0.000 0.531 46 K N -0.021 120.316 120.400 -0.104 0.000 2.057 46 K HA 0.107 4.427 4.320 0.000 0.000 0.206 46 K C 1.682 178.124 176.600 -0.263 0.000 1.050 46 K CA 1.754 57.928 56.287 -0.190 0.000 0.935 46 K CB -0.235 32.066 32.500 -0.331 0.000 0.715 46 K HN 0.908 nan 8.250 nan 0.000 0.439 47 I N -2.889 117.513 120.570 -0.280 0.000 3.002 47 I HA 0.439 4.609 4.170 0.000 0.000 0.310 47 I C -0.775 175.294 176.117 -0.081 0.000 1.087 47 I CA -0.931 60.201 61.300 -0.281 0.000 1.017 47 I CB 2.517 40.218 38.000 -0.498 0.000 1.226 47 I HN -0.321 nan 8.210 nan 0.000 0.443 48 S N 1.870 117.585 115.700 0.025 0.000 2.575 48 S HA 0.390 4.861 4.470 0.000 0.000 0.278 48 S C -0.785 173.864 174.600 0.081 0.000 1.139 48 S CA -0.868 57.375 58.200 0.072 0.000 0.954 48 S CB 1.739 64.944 63.200 0.009 0.000 1.054 48 S HN 0.518 nan 8.310 nan 0.000 0.483 49 K N 2.340 122.734 120.400 -0.011 0.000 2.489 49 K HA 0.222 4.542 4.320 0.000 0.000 0.278 49 K C -0.108 176.376 176.600 -0.193 0.000 1.000 49 K CA 0.369 56.489 56.287 -0.278 0.000 1.012 49 K CB 0.003 32.327 32.500 -0.294 0.000 0.903 49 K HN 0.580 nan 8.250 nan 0.000 0.485 50 I N -1.158 119.272 120.570 -0.234 0.000 2.846 50 I HA 0.513 4.684 4.170 0.000 0.000 0.307 50 I C 0.492 176.517 176.117 -0.153 0.000 1.053 50 I CA -1.132 60.075 61.300 -0.156 0.000 1.050 50 I CB 1.784 39.713 38.000 -0.118 0.000 1.239 50 I HN 0.490 nan 8.210 nan 0.000 0.439 51 G N 1.900 110.632 108.800 -0.114 0.000 2.653 51 G HA2 0.416 4.377 3.960 0.000 0.000 0.265 51 G HA3 0.416 4.377 3.960 0.000 0.000 0.265 51 G C -1.670 173.170 174.900 -0.100 0.000 1.237 51 G CA -0.908 44.131 45.100 -0.102 0.000 0.946 51 G HN 0.649 nan 8.290 nan 0.000 0.522 52 P HA 0.034 nan 4.420 nan 0.000 0.235 52 P C 1.075 178.324 177.300 -0.084 0.000 1.177 52 P CA 0.766 63.816 63.100 -0.084 0.000 0.785 52 P CB 0.332 31.988 31.700 -0.073 0.000 0.885 53 E N 0.031 120.181 120.200 -0.083 0.000 2.118 53 E HA -0.152 4.198 4.350 0.000 0.000 0.195 53 E C 1.176 177.706 176.600 -0.116 0.000 0.992 53 E CA 0.591 56.939 56.400 -0.087 0.000 0.804 53 E CB -1.617 28.040 29.700 -0.072 0.000 0.741 53 E HN 0.128 nan 8.360 nan 0.000 0.458 54 N N 1.852 120.482 118.700 -0.117 0.000 2.440 54 N HA -0.012 4.728 4.740 0.000 0.000 0.265 54 N C -1.665 173.719 175.510 -0.211 0.000 1.239 54 N CA -0.746 52.216 53.050 -0.147 0.000 0.909 54 N CB 0.966 39.403 38.487 -0.083 0.000 1.066 54 N HN 0.054 nan 8.380 nan 0.000 0.474 55 P HA 0.095 nan 4.420 nan 0.000 0.257 55 P C -0.676 176.411 177.300 -0.356 0.000 1.241 55 P CA 0.300 63.152 63.100 -0.414 0.000 0.816 55 P CB 0.155 31.552 31.700 -0.505 0.000 1.150 56 Y N 0.887 121.204 120.300 0.029 0.000 2.301 56 Y HA 0.535 5.086 4.550 0.000 0.000 0.325 56 Y C 0.814 176.758 175.900 0.074 0.000 1.203 56 Y CA -0.643 57.499 58.100 0.070 0.000 1.255 56 Y CB 0.376 38.900 38.460 0.107 0.000 1.232 56 Y HN -0.148 nan 8.280 nan 0.000 0.501 57 N N -0.287 118.566 118.700 0.255 0.000 2.371 57 N HA 0.500 5.240 4.740 0.000 0.000 0.280 57 N C -1.846 173.779 175.510 0.191 0.000 1.084 57 N CA -0.482 52.686 53.050 0.196 0.000 0.892 57 N CB 1.692 40.261 38.487 0.136 0.000 1.653 57 N HN 0.564 nan 8.380 nan 0.000 0.480 58 T N 3.071 117.739 114.554 0.190 0.000 2.841 58 T HA 0.532 4.882 4.350 0.000 0.000 0.285 58 T C -2.760 171.986 174.700 0.077 0.000 0.991 58 T CA -1.051 61.113 62.100 0.106 0.000 0.966 58 T CB 1.850 70.750 68.868 0.055 0.000 0.962 58 T HN 0.323 nan 8.240 nan 0.000 0.438 59 P HA 0.277 nan 4.420 nan 0.000 0.271 59 P C -0.601 176.713 177.300 0.022 0.000 1.216 59 P CA -0.501 62.641 63.100 0.070 0.000 0.776 59 P CB 0.439 32.179 31.700 0.067 0.000 0.881 60 V N 0.632 120.608 119.914 0.103 0.000 2.715 60 V HA 0.729 4.849 4.120 0.000 0.000 0.310 60 V C -0.734 175.501 176.094 0.235 0.000 1.054 60 V CA -0.907 61.444 62.300 0.086 0.000 0.928 60 V CB 1.762 33.612 31.823 0.044 0.000 1.007 60 V HN 0.461 nan 8.190 nan 0.000 0.437 61 F N 1.505 121.467 119.950 0.019 0.000 2.643 61 F HA 0.888 5.416 4.527 0.000 0.000 0.314 61 F C -0.290 175.558 175.800 0.080 0.000 1.096 61 F CA -0.411 57.627 58.000 0.063 0.000 0.953 61 F CB 2.156 41.192 39.000 0.059 0.000 1.345 61 F HN 0.953 nan 8.300 nan 0.000 0.468 62 A N 4.450 126.897 122.820 -0.623 0.000 2.398 62 A HA 0.746 5.066 4.320 0.000 0.000 0.301 62 A C -1.947 175.463 177.584 -0.291 0.000 1.041 62 A CA -0.513 51.356 52.037 -0.280 0.000 0.711 62 A CB 1.337 20.210 19.000 -0.210 0.000 1.240 62 A HN 0.780 nan 8.150 nan 0.000 0.420 63 I N 1.433 122.034 120.570 0.052 0.000 2.689 63 I HA 0.477 4.647 4.170 0.000 0.000 0.299 63 I C -0.041 176.016 176.117 -0.098 0.000 1.059 63 I CA -0.615 60.697 61.300 0.019 0.000 1.055 63 I CB 1.883 39.918 38.000 0.058 0.000 1.243 63 I HN 0.777 nan 8.210 nan 0.000 0.425 69 T N 1.824 116.282 114.554 -0.161 0.000 2.964 69 T HA 0.329 4.679 4.350 0.000 0.000 0.249 69 T C 0.303 174.902 174.700 -0.168 0.000 1.000 69 T CA 0.304 62.317 62.100 -0.145 0.000 0.992 69 T CB -0.148 68.680 68.868 -0.066 0.000 1.087 69 T HN 0.393 nan 8.240 nan 0.000 0.489 70 K N 0.767 121.076 120.400 -0.152 0.000 2.185 70 K HA 0.258 4.578 4.320 0.000 0.000 0.271 70 K C -1.412 175.089 176.600 -0.166 0.000 1.013 70 K CA -0.459 55.779 56.287 -0.081 0.000 0.943 70 K CB 0.731 33.214 32.500 -0.029 0.000 0.998 70 K HN 0.290 nan 8.250 nan 0.000 0.468 71 W N 2.624 123.914 121.300 -0.016 0.000 2.573 71 W HA 0.386 5.046 4.660 0.000 0.000 0.326 71 W C 0.320 176.827 176.519 -0.019 0.000 1.049 71 W CA -0.708 56.621 57.345 -0.028 0.000 1.220 71 W CB 1.336 30.777 29.460 -0.031 0.000 1.373 71 W HN 0.296 nan 8.180 nan 0.000 0.507 72 R N 2.381 123.034 120.500 0.255 0.000 2.599 72 R HA 0.312 4.652 4.340 0.000 0.000 0.295 72 R C -0.607 175.780 176.300 0.146 0.000 0.963 72 R CA -1.290 54.905 56.100 0.157 0.000 0.883 72 R CB 2.224 32.578 30.300 0.090 0.000 1.171 72 R HN 0.352 nan 8.270 nan 0.000 0.450 73 K N 2.881 123.353 120.400 0.120 0.000 2.297 73 K HA 0.173 4.494 4.320 0.000 0.000 0.286 73 K C -0.997 175.664 176.600 0.101 0.000 1.053 73 K CA -0.331 56.008 56.287 0.086 0.000 0.940 73 K CB 0.550 33.089 32.500 0.065 0.000 1.019 73 K HN 0.234 nan 8.250 nan 0.000 0.475 74 L N 6.377 127.660 121.223 0.101 0.000 2.353 74 L HA 0.284 4.624 4.340 0.000 0.000 0.270 74 L C -1.358 175.554 176.870 0.071 0.000 1.003 74 L CA -0.586 54.334 54.840 0.133 0.000 0.862 74 L CB 1.519 43.720 42.059 0.237 0.000 1.221 74 L HN 0.342 nan 8.230 nan 0.000 0.430 75 V N 2.716 122.613 119.914 -0.027 0.000 2.432 75 V HA 0.265 4.385 4.120 0.000 0.000 0.275 75 V C -0.064 175.865 176.094 -0.276 0.000 1.043 75 V CA -0.648 61.488 62.300 -0.272 0.000 0.925 75 V CB 1.452 32.927 31.823 -0.579 0.000 0.985 75 V HN 0.648 nan 8.190 nan 0.000 0.466 76 D N 3.250 123.494 120.400 -0.260 0.000 2.494 76 D HA 0.284 4.925 4.640 0.000 0.000 0.217 76 D C 0.398 176.609 176.300 -0.149 0.000 1.153 76 D CA -0.171 53.752 54.000 -0.128 0.000 0.954 76 D CB 0.049 40.810 40.800 -0.065 0.000 1.034 76 D HN 0.451 nan 8.370 nan 0.000 0.518 77 F N 1.695 121.701 119.950 0.093 0.000 2.804 77 F HA 0.162 4.689 4.527 0.001 0.000 0.303 77 F C 2.193 178.065 175.800 0.120 0.000 1.154 77 F CA -0.265 57.814 58.000 0.132 0.000 1.401 77 F CB 0.072 39.184 39.000 0.187 0.000 1.106 77 F HN 0.264 nan 8.300 nan 0.000 0.568 78 R N 0.391 121.007 120.500 0.194 0.000 2.134 78 R HA -0.221 4.119 4.340 0.000 0.000 0.248 78 R C 2.070 178.452 176.300 0.137 0.000 1.143 78 R CA 1.768 57.946 56.100 0.131 0.000 0.957 78 R CB -0.297 30.043 30.300 0.067 0.000 0.867 78 R HN 0.269 nan 8.270 nan 0.000 0.441 79 E N 0.468 120.751 120.200 0.139 0.000 2.046 79 E HA -0.145 4.205 4.350 0.000 0.000 0.190 79 E C 1.997 178.699 176.600 0.169 0.000 0.982 79 E CA 0.731 57.209 56.400 0.131 0.000 0.800 79 E CB -0.205 29.561 29.700 0.110 0.000 0.756 79 E HN 0.140 nan 8.360 nan 0.000 0.449 80 L N 1.969 123.346 121.223 0.258 0.000 2.046 80 L HA -0.133 4.207 4.340 0.000 0.000 0.208 80 L C 1.549 178.617 176.870 0.330 0.000 1.077 80 L CA 1.615 56.641 54.840 0.309 0.000 0.747 80 L CB -0.630 41.698 42.059 0.448 0.000 0.896 80 L HN -0.022 nan 8.230 nan 0.000 0.432 81 N N 0.218 119.107 118.700 0.316 0.000 2.149 81 N HA -0.206 4.534 4.740 0.000 0.000 0.188 81 N C 1.792 177.376 175.510 0.123 0.000 1.019 81 N CA 1.487 54.653 53.050 0.194 0.000 0.857 81 N CB -0.244 38.322 38.487 0.131 0.000 0.997 81 N HN 0.453 nan 8.380 nan 0.000 0.426 82 K N 0.430 120.898 120.400 0.114 0.000 2.097 82 K HA 0.023 4.343 4.320 0.000 0.000 0.205 82 K C 1.968 178.608 176.600 0.067 0.000 1.050 82 K CA 0.924 57.255 56.287 0.073 0.000 0.938 82 K CB 0.039 32.578 32.500 0.065 0.000 0.718 82 K HN 0.110 nan 8.250 nan 0.000 0.442 83 R N -0.107 120.446 120.500 0.088 0.000 2.200 83 R HA 0.015 4.356 4.340 0.000 0.000 0.208 83 R C 0.997 177.344 176.300 0.079 0.000 1.033 83 R CA 0.414 56.547 56.100 0.056 0.000 1.000 83 R CB 0.178 30.490 30.300 0.020 0.000 0.906 83 R HN -0.002 nan 8.270 nan 0.000 0.462 84 T N 1.097 115.753 114.554 0.169 0.000 2.913 84 T HA 0.049 4.399 4.350 0.000 0.000 0.297 84 T C 0.074 174.809 174.700 0.057 0.000 1.029 84 T CA -0.730 61.505 62.100 0.225 0.000 1.104 84 T CB 0.834 70.011 68.868 0.514 0.000 0.964 84 T HN 0.246 nan 8.240 nan 0.000 0.532 85 Q N 3.292 123.058 119.800 -0.057 0.000 2.614 85 Q HA 0.130 4.470 4.340 0.000 0.000 0.244 85 Q C -0.633 175.147 176.000 -0.365 0.000 1.097 85 Q CA -0.297 55.364 55.803 -0.238 0.000 0.986 85 Q CB 0.338 28.861 28.738 -0.357 0.000 1.308 85 Q HN 0.504 nan 8.270 nan 0.000 0.546 86 D N 0.231 120.440 120.400 -0.319 0.000 2.283 86 D HA 0.359 4.999 4.640 0.000 0.000 0.248 86 D C -0.837 175.208 176.300 -0.425 0.000 1.072 86 D CA -0.018 53.848 54.000 -0.223 0.000 0.929 86 D CB 0.559 41.307 40.800 -0.086 0.000 1.182 86 D HN 0.357 nan 8.370 nan 0.000 0.433 87 F N -0.201 119.705 119.950 -0.075 0.000 2.598 87 F HA 0.281 4.808 4.527 0.001 0.000 0.327 87 F C 0.410 176.238 175.800 0.047 0.000 1.057 87 F CA -1.239 56.738 58.000 -0.038 0.000 0.957 87 F CB 1.290 40.208 39.000 -0.136 0.000 1.278 87 F HN 0.244 nan 8.300 nan 0.000 0.484 88 W N 2.134 123.502 121.300 0.114 0.000 2.181 88 W HA 0.150 4.811 4.660 0.001 0.000 0.335 88 W C -0.134 176.412 176.519 0.046 0.000 1.310 88 W CA -0.384 56.992 57.345 0.052 0.000 1.226 88 W CB 0.774 30.255 29.460 0.035 0.000 1.155 88 W HN 0.482 nan 8.180 nan 0.000 0.565 89 E N 2.798 122.336 120.200 -1.103 0.000 2.493 89 E HA -0.043 4.307 4.350 0.000 0.000 0.255 89 E C 1.039 177.247 176.600 -0.653 0.000 0.999 89 E CA 0.188 56.077 56.400 -0.852 0.000 0.934 89 E CB 1.018 30.179 29.700 -0.898 0.000 0.940 89 E HN 0.346 nan 8.360 nan 0.000 0.473 90 V N 3.687 123.427 119.914 -0.290 0.000 2.233 90 V HA -0.255 3.865 4.120 0.000 0.000 0.252 90 V C 0.918 176.972 176.094 -0.066 0.000 1.063 90 V CA 1.753 63.977 62.300 -0.126 0.000 1.032 90 V CB -0.402 31.369 31.823 -0.087 0.000 0.645 90 V HN 0.655 nan 8.190 nan 0.000 0.446 91 Q N -2.075 117.684 119.800 -0.068 0.000 2.320 91 Q HA 0.306 4.646 4.340 0.000 0.000 0.272 91 Q C 0.056 176.049 176.000 -0.011 0.000 1.023 91 Q CA -0.547 55.267 55.803 0.019 0.000 0.855 91 Q CB 2.452 31.262 28.738 0.119 0.000 1.367 91 Q HN 0.171 nan 8.270 nan 0.000 0.406 92 L N 1.278 122.513 121.223 0.021 0.000 2.201 92 L HA 0.156 4.497 4.340 0.000 0.000 0.212 92 L C 0.642 177.533 176.870 0.034 0.000 1.105 92 L CA 1.940 56.787 54.840 0.012 0.000 0.775 92 L CB 0.217 42.312 42.059 0.060 0.000 0.913 92 L HN 0.707 nan 8.230 nan 0.000 0.440 93 G N -2.092 106.750 108.800 0.069 0.000 2.550 93 G HA2 0.433 4.393 3.960 0.000 0.000 0.293 93 G HA3 0.433 4.393 3.960 0.000 0.000 0.293 93 G C -1.781 173.190 174.900 0.119 0.000 1.402 93 G CA -0.648 44.498 45.100 0.076 0.000 0.784 93 G HN -0.112 nan 8.290 nan 0.000 0.482 94 I N 1.582 122.214 120.570 0.103 0.000 2.404 94 I HA 0.380 4.550 4.170 0.000 0.000 0.293 94 I C -1.888 174.275 176.117 0.077 0.000 0.992 94 I CA -1.749 59.624 61.300 0.122 0.000 1.149 94 I CB 2.175 40.212 38.000 0.061 0.000 1.315 94 I HN 0.195 nan 8.210 nan 0.000 0.446 95 P HA -0.013 nan 4.420 nan 0.000 0.265 95 P C -0.806 176.454 177.300 -0.066 0.000 1.187 95 P CA 0.107 63.154 63.100 -0.088 0.000 0.766 95 P CB 0.273 31.775 31.700 -0.330 0.000 0.820 96 H N 4.000 122.907 119.070 -0.272 0.000 2.489 96 H HA 0.153 4.709 4.556 0.000 0.000 0.322 96 H C -1.647 173.334 175.328 -0.579 0.000 1.091 96 H CA -2.032 53.769 56.048 -0.412 0.000 1.291 96 H CB 1.379 30.888 29.762 -0.422 0.000 1.436 96 H HN 0.221 nan 8.280 nan 0.000 0.480 97 P HA -0.176 nan 4.420 nan 0.000 0.217 97 P C 1.124 178.070 177.300 -0.590 0.000 1.151 97 P CA 2.046 64.550 63.100 -0.993 0.000 0.849 97 P CB 0.065 30.663 31.700 -1.835 0.000 0.787 98 A N -0.510 122.083 122.820 -0.378 0.000 2.076 98 A HA -0.081 4.239 4.320 0.000 0.000 0.220 98 A C 2.361 180.133 177.584 0.314 0.000 1.160 98 A CA 1.949 54.090 52.037 0.173 0.000 0.653 98 A CB -1.642 17.585 19.000 0.378 0.000 0.801 98 A HN 0.331 nan 8.150 nan 0.000 0.455 99 G N -0.911 107.853 108.800 -0.060 0.000 2.603 99 G HA2 0.293 4.253 3.960 0.000 0.000 0.214 99 G HA3 0.293 4.253 3.960 0.000 0.000 0.214 99 G C 0.596 175.541 174.900 0.075 0.000 1.140 99 G CA -0.220 44.783 45.100 -0.162 0.000 0.800 99 G HN 0.410 nan 8.290 nan 0.000 0.533 100 L N 1.019 122.257 121.223 0.025 0.000 2.416 100 L HA 0.274 4.614 4.340 0.000 0.000 0.272 100 L C 0.153 177.083 176.870 0.101 0.000 1.161 100 L CA -0.142 54.680 54.840 -0.029 0.000 0.845 100 L CB 0.863 42.785 42.059 -0.229 0.000 1.119 100 L HN 0.002 nan 8.230 nan 0.000 0.464 101 K N 2.712 123.125 120.400 0.021 0.000 2.118 101 K HA 0.318 4.639 4.320 0.000 0.000 0.267 101 K C -0.350 176.168 176.600 -0.135 0.000 0.991 101 K CA -0.881 55.415 56.287 0.015 0.000 0.916 101 K CB 1.140 33.645 32.500 0.008 0.000 1.041 101 K HN 0.363 nan 8.250 nan 0.000 0.455 102 K N 2.344 122.684 120.400 -0.101 0.000 2.489 102 K HA 0.015 4.335 4.320 0.000 0.000 0.278 102 K C -0.443 176.069 176.600 -0.146 0.000 1.000 102 K CA 0.520 56.710 56.287 -0.161 0.000 1.012 102 K CB 0.430 32.913 32.500 -0.029 0.000 0.903 102 K HN 0.279 nan 8.250 nan 0.000 0.485 103 K N 3.357 123.647 120.400 -0.183 0.000 2.471 103 K HA 0.125 4.446 4.320 0.000 0.000 0.252 103 K C 0.363 176.881 176.600 -0.136 0.000 0.938 103 K CA -0.534 55.664 56.287 -0.148 0.000 0.796 103 K CB 1.850 34.248 32.500 -0.170 0.000 1.161 103 K HN 0.436 nan 8.250 nan 0.000 0.425 104 K N 1.094 121.426 120.400 -0.113 0.000 2.009 104 K HA -0.069 4.251 4.320 0.000 0.000 0.210 104 K C 0.246 176.758 176.600 -0.147 0.000 1.049 104 K CA 1.433 57.660 56.287 -0.101 0.000 0.929 104 K CB 0.219 32.671 32.500 -0.081 0.000 0.714 104 K HN 0.678 nan 8.250 nan 0.000 0.440 105 S N -0.171 115.359 115.700 -0.284 0.000 2.513 105 S HA 0.579 5.049 4.470 0.000 0.000 0.299 105 S C -0.778 173.538 174.600 -0.473 0.000 1.087 105 S CA -1.131 56.799 58.200 -0.449 0.000 1.012 105 S CB 2.516 65.247 63.200 -0.781 0.000 1.044 105 S HN -0.064 nan 8.310 nan 0.000 0.485 106 V N 1.941 121.720 119.914 -0.224 0.000 2.709 106 V HA 0.699 4.819 4.120 0.000 0.000 0.308 106 V C -0.574 175.550 176.094 0.051 0.000 1.062 106 V CA -0.370 61.830 62.300 -0.166 0.000 0.901 106 V CB 2.337 33.850 31.823 -0.517 0.000 1.003 106 V HN 1.091 nan 8.190 nan 0.000 0.425 107 T N 3.492 118.114 114.554 0.114 0.000 2.881 107 T HA 0.556 4.907 4.350 0.000 0.000 0.290 107 T C -0.767 173.966 174.700 0.056 0.000 1.000 107 T CA -0.450 61.741 62.100 0.150 0.000 0.978 107 T CB 1.822 70.772 68.868 0.136 0.000 0.997 107 T HN 0.317 nan 8.240 nan 0.000 0.443 108 V N 4.844 124.820 119.914 0.103 0.000 2.328 108 V HA 0.451 4.571 4.120 0.000 0.000 0.278 108 V C -0.315 175.750 176.094 -0.049 0.000 1.021 108 V CA -0.688 61.600 62.300 -0.020 0.000 0.838 108 V CB 0.761 32.652 31.823 0.113 0.000 0.999 108 V HN 0.701 nan 8.190 nan 0.000 0.447 109 L N 4.978 126.122 121.223 -0.132 0.000 2.317 109 L HA 0.650 4.990 4.340 0.000 0.000 0.281 109 L C -0.388 176.414 176.870 -0.114 0.000 1.024 109 L CA -0.593 54.194 54.840 -0.088 0.000 0.810 109 L CB 1.921 43.934 42.059 -0.076 0.000 1.240 109 L HN 0.801 nan 8.230 nan 0.000 0.427 110 D N 1.329 121.691 120.400 -0.064 0.000 2.502 110 D HA 0.423 5.063 4.640 0.000 0.000 0.249 110 D C -0.715 175.562 176.300 -0.039 0.000 1.092 110 D CA -0.646 53.319 54.000 -0.058 0.000 0.839 110 D CB 1.882 42.654 40.800 -0.047 0.000 1.264 110 D HN 0.065 nan 8.370 nan 0.000 0.511 111 V N 2.366 122.266 119.914 -0.023 0.000 2.521 111 V HA 0.438 4.558 4.120 0.000 0.000 0.286 111 V C 1.307 177.372 176.094 -0.047 0.000 1.034 111 V CA -0.180 62.125 62.300 0.008 0.000 1.045 111 V CB 0.880 32.778 31.823 0.124 0.000 0.974 111 V HN 0.777 nan 8.190 nan 0.000 0.480 112 G N 2.916 111.700 108.800 -0.026 0.000 2.355 112 G HA2 0.346 4.307 3.960 0.000 0.000 0.276 112 G HA3 0.346 4.307 3.960 0.000 0.000 0.276 112 G C 0.065 174.940 174.900 -0.043 0.000 1.198 112 G CA -0.298 44.776 45.100 -0.043 0.000 0.876 112 G HN 0.917 nan 8.290 nan 0.000 0.478 113 D N 1.239 121.582 120.400 -0.095 0.000 2.704 113 D HA -0.279 4.361 4.640 0.000 0.000 0.232 113 D C 1.699 177.934 176.300 -0.108 0.000 1.183 113 D CA 0.811 54.744 54.000 -0.112 0.000 0.647 113 D CB -0.901 39.905 40.800 0.011 0.000 1.013 113 D HN 0.668 nan 8.370 nan 0.000 0.415 114 A N 0.121 122.779 122.820 -0.270 0.000 1.873 114 A HA -0.301 4.020 4.320 0.000 0.000 0.219 114 A C 1.905 179.364 177.584 -0.209 0.000 1.269 114 A CA 2.054 53.832 52.037 -0.432 0.000 0.671 114 A CB -1.095 17.253 19.000 -1.087 0.000 0.842 114 A HN 0.629 nan 8.150 nan 0.000 0.460 115 Y N -2.331 117.765 120.300 -0.339 0.000 2.181 115 Y HA -0.187 4.363 4.550 0.001 0.000 0.288 115 Y C 2.169 178.231 175.900 0.269 0.000 1.146 115 Y CA 0.520 58.593 58.100 -0.045 0.000 1.164 115 Y CB -0.262 38.138 38.460 -0.101 0.000 0.982 115 Y HN 0.331 nan 8.280 nan 0.000 0.515 116 F N -0.505 119.561 119.950 0.192 0.000 2.771 116 F HA -0.071 4.456 4.527 0.000 0.000 0.299 116 F C 1.745 177.634 175.800 0.148 0.000 1.177 116 F CA 0.358 58.461 58.000 0.172 0.000 1.450 116 F CB -0.798 38.285 39.000 0.138 0.000 1.114 116 F HN -0.102 nan 8.300 nan 0.000 0.587 117 S N -1.000 114.898 115.700 0.331 0.000 2.539 117 S HA 0.217 4.687 4.470 0.000 0.000 0.221 117 S C 0.379 175.139 174.600 0.266 0.000 0.987 117 S CA 0.001 58.355 58.200 0.257 0.000 0.929 117 S CB 0.590 63.925 63.200 0.226 0.000 0.832 117 S HN -0.111 nan 8.310 nan 0.000 0.492 118 V N 4.600 124.695 119.914 0.301 0.000 2.487 118 V HA 0.410 4.530 4.120 0.000 0.000 0.298 118 V C -2.448 173.769 176.094 0.206 0.000 1.028 118 V CA -2.265 60.190 62.300 0.258 0.000 0.860 118 V CB 1.976 33.986 31.823 0.312 0.000 0.991 118 V HN 0.064 nan 8.190 nan 0.000 0.427 119 P HA 0.222 nan 4.420 nan 0.000 0.272 119 P C -0.814 176.557 177.300 0.119 0.000 1.223 119 P CA -0.313 62.865 63.100 0.130 0.000 0.784 119 P CB 1.463 33.231 31.700 0.112 0.000 0.923 120 L N 1.757 123.041 121.223 0.101 0.000 2.334 120 L HA 0.409 4.749 4.340 0.000 0.000 0.275 120 L C 0.012 176.938 176.870 0.094 0.000 1.036 120 L CA -0.643 54.243 54.840 0.077 0.000 0.807 120 L CB 0.870 42.951 42.059 0.036 0.000 1.231 120 L HN 0.226 nan 8.230 nan 0.000 0.438 121 D N 2.106 122.572 120.400 0.109 0.000 2.520 121 D HA -0.070 4.571 4.640 0.000 0.000 0.243 121 D C 1.063 177.448 176.300 0.142 0.000 1.160 121 D CA 0.761 54.841 54.000 0.133 0.000 0.877 121 D CB 0.852 41.749 40.800 0.162 0.000 1.150 121 D HN 0.687 nan 8.370 nan 0.000 0.494 122 E N 2.192 122.452 120.200 0.101 0.000 2.114 122 E HA -0.224 4.126 4.350 0.000 0.000 0.199 122 E C 0.916 177.552 176.600 0.061 0.000 1.008 122 E CA 1.502 57.944 56.400 0.070 0.000 0.810 122 E CB 0.220 29.952 29.700 0.053 0.000 0.739 122 E HN 0.591 nan 8.360 nan 0.000 0.456 123 D N -0.894 119.562 120.400 0.094 0.000 2.310 123 D HA -0.130 4.510 4.640 0.000 0.000 0.212 123 D C 1.323 177.689 176.300 0.110 0.000 0.965 123 D CA 0.648 54.702 54.000 0.089 0.000 0.879 123 D CB 0.016 40.892 40.800 0.127 0.000 0.921 123 D HN 0.218 nan 8.370 nan 0.000 0.510 124 F N 1.236 121.201 119.950 0.026 0.000 2.582 124 F HA 0.135 4.663 4.527 0.000 0.000 0.290 124 F C 2.202 177.970 175.800 -0.054 0.000 1.115 124 F CA -0.088 57.961 58.000 0.081 0.000 1.445 124 F CB 0.296 39.361 39.000 0.108 0.000 1.126 124 F HN -0.308 nan 8.300 nan 0.000 0.574 125 R N 1.257 121.763 120.500 0.009 0.000 2.134 125 R HA -0.273 4.067 4.340 0.000 0.000 0.248 125 R C 2.216 178.442 176.300 -0.123 0.000 1.143 125 R CA 2.379 58.465 56.100 -0.022 0.000 0.957 125 R CB -0.762 29.549 30.300 0.018 0.000 0.867 125 R HN 0.388 nan 8.270 nan 0.000 0.441 126 K N -0.147 120.093 120.400 -0.267 0.000 2.173 126 K HA -0.215 4.106 4.320 0.000 0.000 0.207 126 K C 1.544 177.986 176.600 -0.263 0.000 1.046 126 K CA 1.933 58.059 56.287 -0.267 0.000 0.929 126 K CB -0.504 31.804 32.500 -0.320 0.000 0.720 126 K HN 0.256 nan 8.250 nan 0.000 0.453 127 Y N 2.428 122.513 120.300 -0.358 0.000 2.509 127 Y HA -0.060 4.490 4.550 0.000 0.000 0.293 127 Y C 2.470 178.274 175.900 -0.160 0.000 1.133 127 Y CA 1.223 59.028 58.100 -0.491 0.000 1.283 127 Y CB -0.595 37.273 38.460 -0.987 0.000 1.001 127 Y HN 0.348 nan 8.280 nan 0.000 0.555 128 T N -2.310 112.286 114.554 0.070 0.000 3.169 128 T HA 0.421 4.771 4.350 0.000 0.000 0.250 128 T C 0.909 175.893 174.700 0.472 0.000 1.111 128 T CA 0.048 62.337 62.100 0.315 0.000 1.010 128 T CB -0.630 68.398 68.868 0.268 0.000 0.984 128 T HN 0.206 nan 8.240 nan 0.000 0.537 129 A N 1.905 124.906 122.820 0.302 0.000 2.546 129 A HA 0.499 4.819 4.320 0.000 0.000 0.243 129 A C -0.032 177.752 177.584 0.334 0.000 1.063 129 A CA -0.351 51.830 52.037 0.241 0.000 0.757 129 A CB -0.714 18.375 19.000 0.148 0.000 0.991 129 A HN 0.786 nan 8.150 nan 0.000 0.503 130 F N -0.160 119.885 119.950 0.159 0.000 2.613 130 F HA 0.823 5.350 4.527 0.000 0.000 0.314 130 F C -0.323 175.548 175.800 0.118 0.000 1.075 130 F CA -0.841 57.237 58.000 0.130 0.000 0.945 130 F CB 1.434 40.513 39.000 0.132 0.000 1.310 130 F HN 0.333 nan 8.300 nan 0.000 0.467 131 T N 2.818 117.506 114.554 0.223 0.000 2.824 131 T HA 0.591 4.941 4.350 0.000 0.000 0.282 131 T C -0.424 174.390 174.700 0.189 0.000 0.993 131 T CA -0.436 61.723 62.100 0.099 0.000 0.967 131 T CB 1.535 70.436 68.868 0.054 0.000 0.960 131 T HN 0.602 nan 8.240 nan 0.000 0.441 132 I N 5.237 125.891 120.570 0.140 0.000 2.301 132 I HA 0.265 4.435 4.170 0.000 0.000 0.292 132 I C -1.923 174.228 176.117 0.057 0.000 1.046 132 I CA -2.306 59.077 61.300 0.138 0.000 1.282 132 I CB 0.740 38.828 38.000 0.148 0.000 1.409 132 I HN 0.312 nan 8.210 nan 0.000 0.484 133 P HA 0.058 nan 4.420 nan 0.000 0.271 133 P C -0.255 177.034 177.300 -0.017 0.000 1.218 133 P CA -0.249 62.854 63.100 0.006 0.000 0.780 133 P CB 0.838 32.537 31.700 -0.001 0.000 0.901 134 S N 2.013 117.693 115.700 -0.032 0.000 2.632 134 S HA 0.326 4.796 4.470 0.000 0.000 0.267 134 S C 0.592 175.164 174.600 -0.047 0.000 1.276 134 S CA -0.827 57.349 58.200 -0.039 0.000 0.998 134 S CB -0.050 63.125 63.200 -0.042 0.000 0.953 134 S HN 0.310 nan 8.310 nan 0.000 0.547 135 I N 2.778 123.321 120.570 -0.045 0.000 2.769 135 I HA -0.054 4.117 4.170 0.000 0.000 0.285 135 I C 0.441 176.525 176.117 -0.054 0.000 1.173 135 I CA 0.417 61.688 61.300 -0.048 0.000 1.389 135 I CB -0.925 37.050 38.000 -0.041 0.000 1.404 135 I HN 0.677 nan 8.210 nan 0.000 0.544 136 N N 5.008 123.667 118.700 -0.069 0.000 2.747 136 N HA -0.254 4.486 4.740 0.000 0.000 0.249 136 N C 0.320 175.778 175.510 -0.087 0.000 1.107 136 N CA 1.028 54.027 53.050 -0.084 0.000 0.707 136 N CB -1.497 36.949 38.487 -0.068 0.000 1.054 136 N HN 0.839 nan 8.380 nan 0.000 0.555 137 N N -0.523 118.127 118.700 -0.084 0.000 2.661 137 N HA -0.243 4.497 4.740 0.000 0.000 0.249 137 N C 0.913 176.388 175.510 -0.058 0.000 1.142 137 N CA 1.307 54.313 53.050 -0.073 0.000 0.727 137 N CB -0.054 38.379 38.487 -0.090 0.000 1.099 137 N HN 0.450 nan 8.380 nan 0.000 0.558 138 E N -0.685 119.484 120.200 -0.053 0.000 2.051 138 E HA -0.116 4.234 4.350 0.000 0.000 0.192 138 E C 1.235 177.811 176.600 -0.040 0.000 0.991 138 E CA 1.819 58.193 56.400 -0.044 0.000 0.799 138 E CB -0.137 29.539 29.700 -0.041 0.000 0.748 138 E HN 0.670 nan 8.360 nan 0.000 0.449 139 T N -0.614 113.915 114.554 -0.041 0.000 2.950 139 T HA 0.481 4.831 4.350 0.000 0.000 0.288 139 T C -2.761 171.913 174.700 -0.044 0.000 1.035 139 T CA -2.307 59.768 62.100 -0.041 0.000 1.028 139 T CB 1.624 70.468 68.868 -0.041 0.000 1.109 139 T HN -0.286 nan 8.240 nan 0.000 0.514 140 P HA 0.310 nan 4.420 nan 0.000 0.265 140 P C 0.552 177.816 177.300 -0.059 0.000 1.193 140 P CA -0.005 63.063 63.100 -0.053 0.000 0.765 140 P CB 0.080 31.744 31.700 -0.059 0.000 0.823 141 G N 2.177 110.943 108.800 -0.056 0.000 2.621 141 G HA2 0.390 4.350 3.960 0.000 0.000 0.271 141 G HA3 0.390 4.350 3.960 0.000 0.000 0.271 141 G C -0.425 174.416 174.900 -0.099 0.000 1.236 141 G CA -0.780 44.285 45.100 -0.057 0.000 0.958 141 G HN 0.436 nan 8.290 nan 0.000 0.512 142 I N 1.067 121.572 120.570 -0.110 0.000 2.322 142 I HA 0.239 4.410 4.170 0.000 0.000 0.292 142 I C 0.441 176.370 176.117 -0.313 0.000 1.060 142 I CA -0.359 60.802 61.300 -0.232 0.000 1.309 142 I CB 0.782 38.651 38.000 -0.217 0.000 1.415 142 I HN 0.094 nan 8.210 nan 0.000 0.492 143 R N 6.429 126.697 120.500 -0.386 0.000 2.265 143 R HA 0.493 4.834 4.340 0.000 0.000 0.314 143 R C -1.244 174.717 176.300 -0.565 0.000 1.053 143 R CA -0.507 55.373 56.100 -0.368 0.000 0.931 143 R CB 1.056 31.215 30.300 -0.235 0.000 1.024 143 R HN 0.511 nan 8.270 nan 0.000 0.457 144 Y N 0.550 120.514 120.300 -0.560 0.000 2.553 144 Y HA 0.206 4.756 4.550 0.000 0.000 0.347 144 Y C 0.090 175.672 175.900 -0.529 0.000 1.019 144 Y CA -0.964 56.752 58.100 -0.639 0.000 1.032 144 Y CB 2.575 40.409 38.460 -1.045 0.000 1.284 144 Y HN 0.474 nan 8.280 nan 0.000 0.466 145 Q N 0.748 120.515 119.800 -0.056 0.000 2.423 145 Q HA 0.526 4.866 4.340 0.000 0.000 0.278 145 Q C -2.020 174.029 176.000 0.083 0.000 1.097 145 Q CA -1.102 54.747 55.803 0.078 0.000 0.809 145 Q CB 2.288 31.054 28.738 0.046 0.000 1.391 145 Q HN 0.644 nan 8.270 nan 0.000 0.428 146 Y N 1.296 121.677 120.300 0.134 0.000 2.304 146 Y HA 0.197 4.747 4.550 0.000 0.000 0.327 146 Y C 0.872 176.781 175.900 0.015 0.000 1.209 146 Y CA 0.212 58.352 58.100 0.068 0.000 1.299 146 Y CB 1.057 39.552 38.460 0.058 0.000 1.249 146 Y HN 0.749 nan 8.280 nan 0.000 0.519 147 N N 0.710 119.481 118.700 0.118 0.000 2.332 147 N HA 0.057 4.797 4.740 0.000 0.000 0.190 147 N C -0.241 175.337 175.510 0.113 0.000 1.117 147 N CA 0.445 53.545 53.050 0.083 0.000 0.883 147 N CB 0.718 39.225 38.487 0.033 0.000 1.089 147 N HN 0.383 nan 8.380 nan 0.000 0.480 148 V N -1.317 118.694 119.914 0.162 0.000 3.234 148 V HA 0.516 4.637 4.120 0.000 0.000 0.317 148 V C 0.381 176.600 176.094 0.209 0.000 1.147 148 V CA -1.090 61.327 62.300 0.195 0.000 1.037 148 V CB 1.085 33.032 31.823 0.205 0.000 1.148 148 V HN -0.127 nan 8.190 nan 0.000 0.455 149 L N 2.707 124.064 121.223 0.223 0.000 2.500 149 L HA 0.340 4.680 4.340 0.000 0.000 0.272 149 L C -2.200 174.761 176.870 0.151 0.000 1.149 149 L CA -1.208 53.705 54.840 0.122 0.000 0.897 149 L CB 0.344 42.454 42.059 0.085 0.000 1.178 149 L HN 0.520 nan 8.230 nan 0.000 0.473 150 P HA 0.130 nan 4.420 nan 0.000 0.278 150 P C -0.815 176.488 177.300 0.005 0.000 1.238 150 P CA -0.700 62.202 63.100 -0.329 0.000 0.794 150 P CB 0.719 31.729 31.700 -1.151 0.000 0.955 151 Q N 1.190 121.158 119.800 0.280 0.000 2.313 151 Q HA 0.415 4.756 4.340 0.000 0.000 0.266 151 Q C 1.301 177.454 176.000 0.255 0.000 0.989 151 Q CA 1.627 57.587 55.803 0.262 0.000 0.890 151 Q CB -0.459 28.386 28.738 0.178 0.000 1.200 151 Q HN 0.804 nan 8.270 nan 0.000 0.396 152 G N 2.675 111.585 108.800 0.184 0.000 2.195 152 G HA2 -0.279 3.681 3.960 0.000 0.000 0.246 152 G HA3 -0.279 3.681 3.960 0.000 0.000 0.246 152 G C -0.523 174.453 174.900 0.126 0.000 0.984 152 G CA 0.016 45.242 45.100 0.209 0.000 0.633 152 G HN 0.646 nan 8.290 nan 0.000 0.525 153 W N 2.084 123.169 121.300 -0.358 0.000 2.272 153 W HA 0.622 5.282 4.660 0.000 0.000 0.318 153 W C 1.355 177.663 176.519 -0.351 0.000 1.255 153 W CA -0.345 56.681 57.345 -0.532 0.000 1.200 153 W CB 0.868 29.815 29.460 -0.855 0.000 1.170 153 W HN 0.078 nan 8.180 nan 0.000 0.549 154 K N 2.720 122.572 120.400 -0.912 0.000 2.089 154 K HA -0.187 4.134 4.320 0.000 0.000 0.210 154 K C 1.777 177.609 176.600 -1.281 0.000 1.048 154 K CA 2.090 57.865 56.287 -0.854 0.000 0.926 154 K CB -0.633 31.539 32.500 -0.546 0.000 0.714 154 K HN 0.763 nan 8.250 nan 0.000 0.448 155 G N -0.712 106.631 108.800 -2.429 0.000 2.813 155 G HA2 -0.077 3.883 3.960 0.000 0.000 0.209 155 G HA3 -0.077 3.883 3.960 0.000 0.000 0.209 155 G C 1.231 175.273 174.900 -1.430 0.000 1.150 155 G CA 0.296 43.788 45.100 -2.679 0.000 0.785 155 G HN 0.243 nan 8.290 nan 0.000 0.535 156 S N 1.749 116.875 115.700 -0.957 0.000 2.348 156 S HA -0.077 4.393 4.470 0.000 0.000 0.221 156 S C 0.084 174.302 174.600 -0.637 0.000 1.033 156 S CA 1.446 59.205 58.200 -0.735 0.000 1.010 156 S CB -0.748 61.799 63.200 -1.089 0.000 0.891 156 S HN 0.299 nan 8.310 nan 0.000 0.442 157 P HA -0.028 nan 4.420 nan 0.000 0.215 157 P C 1.443 178.686 177.300 -0.095 0.000 1.153 157 P CA 1.473 64.508 63.100 -0.108 0.000 0.853 157 P CB -0.140 31.493 31.700 -0.112 0.000 0.788 158 A N -0.650 122.014 122.820 -0.261 0.000 1.877 158 A HA -0.167 4.154 4.320 0.000 0.000 0.216 158 A C 2.216 179.731 177.584 -0.115 0.000 1.186 158 A CA 1.566 53.494 52.037 -0.181 0.000 0.620 158 A CB -1.655 17.196 19.000 -0.247 0.000 0.822 158 A HN 0.108 nan 8.150 nan 0.000 0.443 159 I N -1.903 118.552 120.570 -0.191 0.000 2.315 159 I HA -0.197 3.974 4.170 0.000 0.000 0.248 159 I C 2.308 178.431 176.117 0.009 0.000 1.117 159 I CA 1.308 62.568 61.300 -0.065 0.000 1.404 159 I CB -0.306 37.668 38.000 -0.043 0.000 1.071 159 I HN 0.427 nan 8.210 nan 0.000 0.419 160 F N 1.552 121.471 119.950 -0.052 0.000 2.134 160 F HA -0.241 4.287 4.527 0.001 0.000 0.299 160 F C 2.609 178.419 175.800 0.017 0.000 1.097 160 F CA 1.652 59.677 58.000 0.042 0.000 1.264 160 F CB -0.237 38.878 39.000 0.190 0.000 1.001 160 F HN 0.010 nan 8.300 nan 0.000 0.479 161 Q N 0.305 120.055 119.800 -0.084 0.000 2.119 161 Q HA -0.133 4.207 4.340 0.000 0.000 0.201 161 Q C 2.573 178.477 176.000 -0.159 0.000 0.972 161 Q CA 1.772 57.489 55.803 -0.143 0.000 0.847 161 Q CB -0.845 27.887 28.738 -0.010 0.000 0.903 161 Q HN 0.582 nan 8.270 nan 0.000 0.433 162 S N -0.136 115.506 115.700 -0.096 0.000 2.383 162 S HA -0.069 4.401 4.470 0.000 0.000 0.227 162 S C 2.223 176.747 174.600 -0.127 0.000 1.026 162 S CA 1.251 59.411 58.200 -0.067 0.000 0.981 162 S CB -0.286 62.908 63.200 -0.009 0.000 0.818 162 S HN 0.148 nan 8.310 nan 0.000 0.472 163 S N 2.072 117.669 115.700 -0.173 0.000 2.348 163 S HA -0.064 4.407 4.470 0.000 0.000 0.221 163 S C 1.889 176.317 174.600 -0.287 0.000 1.033 163 S CA 1.630 59.709 58.200 -0.201 0.000 1.010 163 S CB -0.569 62.530 63.200 -0.169 0.000 0.891 163 S HN 0.503 nan 8.310 nan 0.000 0.442 164 M N 2.151 121.496 119.600 -0.425 0.000 2.106 164 M HA -0.116 4.364 4.480 0.000 0.000 0.259 164 M C 1.909 178.069 176.300 -0.232 0.000 1.068 164 M CA 1.765 56.829 55.300 -0.394 0.000 1.100 164 M CB -1.470 30.802 32.600 -0.547 0.000 1.351 164 M HN 0.217 nan 8.290 nan 0.000 0.404 165 T N 0.280 114.724 114.554 -0.183 0.000 2.821 165 T HA -0.116 4.234 4.350 0.000 0.000 0.267 165 T C 1.892 176.521 174.700 -0.120 0.000 1.046 165 T CA 1.477 63.511 62.100 -0.110 0.000 1.139 165 T CB -0.154 68.676 68.868 -0.063 0.000 0.871 165 T HN 0.436 nan 8.240 nan 0.000 0.454 166 K N 0.426 120.730 120.400 -0.160 0.000 2.057 166 K HA 0.058 4.379 4.320 0.000 0.000 0.206 166 K C 2.223 178.651 176.600 -0.287 0.000 1.050 166 K CA 1.016 57.188 56.287 -0.192 0.000 0.935 166 K CB -0.270 32.111 32.500 -0.198 0.000 0.715 166 K HN 0.315 nan 8.250 nan 0.000 0.439 167 I N 1.099 121.447 120.570 -0.370 0.000 2.226 167 I HA -0.284 3.886 4.170 0.000 0.000 0.245 167 I C 2.103 178.143 176.117 -0.128 0.000 1.100 167 I CA 1.150 62.156 61.300 -0.490 0.000 1.374 167 I CB -0.105 37.627 38.000 -0.447 0.000 1.057 167 I HN 0.113 nan 8.210 nan 0.000 0.413 168 L N 0.003 121.176 121.223 -0.083 0.000 2.156 168 L HA -0.167 4.173 4.340 0.000 0.000 0.208 168 L C 2.470 179.354 176.870 0.023 0.000 1.095 168 L CA 0.936 55.775 54.840 -0.003 0.000 0.770 168 L CB -0.538 41.505 42.059 -0.027 0.000 0.914 168 L HN 0.282 nan 8.230 nan 0.000 0.439 169 E N 0.534 120.721 120.200 -0.021 0.000 2.068 169 E HA -0.259 4.091 4.350 0.000 0.000 0.207 169 E C -0.580 176.020 176.600 0.000 0.000 1.032 169 E CA 2.214 58.606 56.400 -0.013 0.000 0.839 169 E CB -0.690 28.988 29.700 -0.037 0.000 0.758 169 E HN 0.356 nan 8.360 nan 0.000 0.457 170 P HA -0.184 nan 4.420 nan 0.000 0.215 170 P C 1.389 178.651 177.300 -0.064 0.000 1.153 170 P CA 1.221 64.324 63.100 0.005 0.000 0.853 170 P CB -0.276 31.483 31.700 0.099 0.000 0.788 171 F N 1.368 121.149 119.950 -0.282 0.000 2.134 171 F HA -0.107 4.420 4.527 0.000 0.000 0.299 171 F C 2.603 178.320 175.800 -0.139 0.000 1.097 171 F CA 1.449 59.272 58.000 -0.296 0.000 1.264 171 F CB -0.403 38.369 39.000 -0.381 0.000 1.001 171 F HN -0.293 nan 8.300 nan 0.000 0.479 172 R N 0.323 120.889 120.500 0.109 0.000 2.083 172 R HA -0.184 4.156 4.340 0.000 0.000 0.237 172 R C 2.273 178.551 176.300 -0.037 0.000 1.137 172 R CA 1.877 58.014 56.100 0.061 0.000 0.951 172 R CB -0.428 29.908 30.300 0.061 0.000 0.851 172 R HN 0.286 nan 8.270 nan 0.000 0.434 173 K N 0.175 120.545 120.400 -0.050 0.000 2.057 173 K HA -0.138 4.182 4.320 0.000 0.000 0.207 173 K C 2.146 178.684 176.600 -0.104 0.000 1.049 173 K CA 1.055 57.306 56.287 -0.059 0.000 0.931 173 K CB 0.020 32.496 32.500 -0.040 0.000 0.714 173 K HN 0.127 nan 8.250 nan 0.000 0.440 174 Q N 0.349 120.046 119.800 -0.171 0.000 2.369 174 Q HA 0.000 4.340 4.340 0.000 0.000 0.206 174 Q C -0.004 175.825 176.000 -0.286 0.000 0.963 174 Q CA 0.815 56.483 55.803 -0.224 0.000 0.894 174 Q CB 0.193 28.771 28.738 -0.267 0.000 0.965 174 Q HN 0.317 nan 8.270 nan 0.000 0.475 175 N N 0.640 119.147 118.700 -0.322 0.000 2.790 175 N HA 0.140 4.880 4.740 0.000 0.000 0.256 175 N C -2.205 173.235 175.510 -0.117 0.000 1.409 175 N CA -0.918 51.971 53.050 -0.269 0.000 0.799 175 N CB 1.640 39.851 38.487 -0.460 0.000 1.170 175 N HN 0.014 nan 8.380 nan 0.000 0.507 176 P HA -0.035 nan 4.420 nan 0.000 0.222 176 P C 0.373 177.665 177.300 -0.014 0.000 1.153 176 P CA 1.050 64.129 63.100 -0.034 0.000 0.798 176 P CB 0.544 32.224 31.700 -0.033 0.000 0.796 177 D N -0.378 120.012 120.400 -0.017 0.000 2.349 177 D HA 0.047 4.687 4.640 0.000 0.000 0.224 177 D C 0.780 177.091 176.300 0.018 0.000 1.029 177 D CA 0.483 54.482 54.000 -0.002 0.000 0.879 177 D CB 0.367 41.162 40.800 -0.007 0.000 0.906 177 D HN 0.192 nan 8.370 nan 0.000 0.528 178 I N 1.284 121.875 120.570 0.036 0.000 2.428 178 I HA 0.199 4.369 4.170 0.000 0.000 0.296 178 I C 0.345 176.512 176.117 0.082 0.000 0.985 178 I CA -0.826 60.524 61.300 0.084 0.000 1.260 178 I CB 1.614 39.704 38.000 0.149 0.000 1.389 178 I HN -0.352 nan 8.210 nan 0.000 0.484 179 V N 7.460 127.418 119.914 0.074 0.000 2.417 179 V HA 0.504 4.625 4.120 0.000 0.000 0.291 179 V C -0.160 175.983 176.094 0.082 0.000 1.024 179 V CA -0.432 61.903 62.300 0.058 0.000 0.861 179 V CB 1.814 33.642 31.823 0.009 0.000 0.985 179 V HN 0.501 nan 8.190 nan 0.000 0.436 180 I N 6.800 127.430 120.570 0.100 0.000 2.436 180 I HA 0.387 4.557 4.170 0.000 0.000 0.289 180 I C -1.387 174.835 176.117 0.175 0.000 1.010 180 I CA -0.781 60.586 61.300 0.113 0.000 1.098 180 I CB 1.804 39.846 38.000 0.069 0.000 1.266 180 I HN 0.601 nan 8.210 nan 0.000 0.434 181 Y N 6.144 126.498 120.300 0.090 0.000 2.334 181 Y HA 0.438 4.989 4.550 0.000 0.000 0.336 181 Y C -0.630 175.427 175.900 0.262 0.000 0.960 181 Y CA -0.728 57.449 58.100 0.129 0.000 1.164 181 Y CB 1.086 39.559 38.460 0.021 0.000 1.155 181 Y HN 0.513 nan 8.280 nan 0.000 0.478 182 Q N 5.969 125.587 119.800 -0.305 0.000 2.274 182 Q HA 0.314 4.655 4.340 0.000 0.000 0.256 182 Q C -1.769 174.001 176.000 -0.384 0.000 0.927 182 Q CA -0.571 55.094 55.803 -0.229 0.000 0.939 182 Q CB 1.834 30.510 28.738 -0.103 0.000 1.201 182 Q HN 0.721 nan 8.270 nan 0.000 0.426 183 Y N 4.190 124.348 120.300 -0.238 0.000 2.287 183 Y HA 0.251 4.801 4.550 0.000 0.000 0.325 183 Y C -0.184 175.755 175.900 0.066 0.000 1.139 183 Y CA -0.426 57.625 58.100 -0.082 0.000 1.167 183 Y CB 0.451 38.934 38.460 0.037 0.000 1.158 183 Y HN 0.907 nan 8.280 nan 0.000 0.434 184 M N 1.290 120.668 119.600 -0.369 0.000 7.319 184 M HA -0.408 4.073 4.480 0.000 0.000 0.305 184 M C 0.253 176.530 176.300 -0.039 0.000 0.480 184 M CA 2.215 57.349 55.300 -0.277 0.000 1.311 184 M CB -0.932 31.360 32.600 -0.513 0.000 0.421 184 M HN 0.591 nan 8.290 nan 0.000 0.673 185 D N 0.971 121.275 120.400 -0.159 0.000 2.355 185 D HA 0.101 4.741 4.640 0.000 0.000 0.218 185 D C -0.161 176.128 176.300 -0.018 0.000 1.004 185 D CA 0.757 54.672 54.000 -0.141 0.000 0.880 185 D CB -0.237 40.404 40.800 -0.267 0.000 0.911 185 D HN 0.344 nan 8.370 nan 0.000 0.528 186 D N 0.407 120.820 120.400 0.021 0.000 2.229 186 D HA 0.375 5.015 4.640 0.000 0.000 0.249 186 D C -0.239 176.028 176.300 -0.055 0.000 1.027 186 D CA -0.429 53.554 54.000 -0.028 0.000 0.923 186 D CB 2.127 42.950 40.800 0.038 0.000 1.174 186 D HN -0.148 nan 8.370 nan 0.000 0.443 187 L N 1.771 122.852 121.223 -0.237 0.000 2.439 187 L HA 0.282 4.622 4.340 0.000 0.000 0.270 187 L C -1.588 175.107 176.870 -0.292 0.000 0.972 187 L CA -0.636 54.114 54.840 -0.150 0.000 0.836 187 L CB 1.353 43.357 42.059 -0.091 0.000 1.255 187 L HN 0.270 nan 8.230 nan 0.000 0.404 188 Y N 3.844 124.178 120.300 0.058 0.000 2.356 188 Y HA 0.603 5.153 4.550 0.000 0.000 0.334 188 Y C -0.088 175.812 175.900 0.001 0.000 0.958 188 Y CA -1.021 57.098 58.100 0.032 0.000 1.196 188 Y CB 1.506 39.994 38.460 0.046 0.000 1.137 188 Y HN 0.218 nan 8.280 nan 0.000 0.485 189 V N 2.490 122.452 119.914 0.080 0.000 2.435 189 V HA 0.903 5.023 4.120 0.000 0.000 0.290 189 V C 0.351 176.508 176.094 0.105 0.000 1.030 189 V CA -0.736 61.609 62.300 0.075 0.000 0.881 189 V CB 1.286 33.125 31.823 0.027 0.000 0.983 189 V HN 0.885 nan 8.190 nan 0.000 0.445 190 G N 2.291 111.149 108.800 0.097 0.000 2.620 190 G HA2 0.749 4.710 3.960 0.000 0.000 0.301 190 G HA3 0.749 4.710 3.960 0.000 0.000 0.301 190 G C -0.815 174.136 174.900 0.084 0.000 1.347 190 G CA -0.169 44.960 45.100 0.049 0.000 0.971 190 G HN 1.118 nan 8.290 nan 0.000 0.488 191 S N -0.231 115.485 115.700 0.028 0.000 2.565 191 S HA 0.438 4.908 4.470 0.000 0.000 0.269 191 S C -0.696 173.874 174.600 -0.050 0.000 1.153 191 S CA -0.641 57.587 58.200 0.046 0.000 0.835 191 S CB 2.144 65.475 63.200 0.219 0.000 1.122 191 S HN 0.327 nan 8.310 nan 0.000 0.462 192 D N 0.895 121.283 120.400 -0.020 0.000 2.349 192 D HA 0.217 4.857 4.640 0.000 0.000 0.215 192 D C 0.486 176.774 176.300 -0.021 0.000 1.016 192 D CA 0.272 54.250 54.000 -0.036 0.000 0.870 192 D CB -0.014 40.770 40.800 -0.027 0.000 0.917 192 D HN 0.480 nan 8.370 nan 0.000 0.524 193 L N 1.322 122.553 121.223 0.013 0.000 2.483 193 L HA 0.057 4.398 4.340 0.000 0.000 0.276 193 L C 0.900 177.784 176.870 0.024 0.000 1.213 193 L CA -0.162 54.703 54.840 0.040 0.000 0.843 193 L CB 0.324 42.443 42.059 0.100 0.000 1.107 193 L HN -0.240 nan 8.230 nan 0.000 0.487 194 E N 1.153 121.372 120.200 0.032 0.000 2.392 194 E HA 0.002 4.352 4.350 0.000 0.000 0.264 194 E C 0.855 177.492 176.600 0.062 0.000 1.024 194 E CA 0.015 56.432 56.400 0.028 0.000 0.903 194 E CB 0.837 30.553 29.700 0.026 0.000 0.963 194 E HN 0.417 nan 8.360 nan 0.000 0.432 195 I N 3.279 123.880 120.570 0.053 0.000 2.247 195 I HA -0.389 3.781 4.170 0.000 0.000 0.249 195 I C 1.626 177.814 176.117 0.118 0.000 1.027 195 I CA 2.647 64.000 61.300 0.089 0.000 1.316 195 I CB -0.304 37.735 38.000 0.066 0.000 1.007 195 I HN 0.709 nan 8.210 nan 0.000 0.430 196 G N -1.476 107.375 108.800 0.085 0.000 2.424 196 G HA2 -0.220 3.740 3.960 0.000 0.000 0.214 196 G HA3 -0.220 3.740 3.960 0.000 0.000 0.214 196 G C 1.446 176.394 174.900 0.081 0.000 1.202 196 G CA 0.686 45.830 45.100 0.073 0.000 0.793 196 G HN 0.528 nan 8.290 nan 0.000 0.534 197 Q N -0.692 119.158 119.800 0.083 0.000 2.135 197 Q HA -0.148 4.192 4.340 0.000 0.000 0.204 197 Q C 2.245 178.312 176.000 0.113 0.000 0.981 197 Q CA 1.215 57.067 55.803 0.081 0.000 0.856 197 Q CB -0.334 28.446 28.738 0.070 0.000 0.902 197 Q HN 0.684 nan 8.270 nan 0.000 0.425 198 H N 1.169 120.263 119.070 0.039 0.000 2.276 198 H HA -0.044 4.513 4.556 0.000 0.000 0.301 198 H C 2.033 177.394 175.328 0.055 0.000 1.073 198 H CA 1.405 57.480 56.048 0.046 0.000 1.311 198 H CB 0.235 30.020 29.762 0.039 0.000 1.379 198 H HN 0.116 nan 8.280 nan 0.000 0.494 199 R N -0.363 120.164 120.500 0.044 0.000 2.139 199 R HA -0.109 4.231 4.340 0.000 0.000 0.243 199 R C 2.341 178.634 176.300 -0.013 0.000 1.145 199 R CA 1.838 57.937 56.100 -0.001 0.000 0.976 199 R CB -0.136 30.202 30.300 0.064 0.000 0.866 199 R HN 0.403 nan 8.270 nan 0.000 0.449 200 T N 0.706 115.268 114.554 0.013 0.000 2.770 200 T HA -0.037 4.314 4.350 0.000 0.000 0.263 200 T C 1.636 176.354 174.700 0.031 0.000 1.039 200 T CA 0.741 62.858 62.100 0.027 0.000 1.142 200 T CB 0.047 68.937 68.868 0.038 0.000 0.868 200 T HN 0.145 nan 8.240 nan 0.000 0.435 201 K N 0.834 121.248 120.400 0.024 0.000 2.209 201 K HA 0.023 4.343 4.320 0.000 0.000 0.204 201 K C 2.151 178.791 176.600 0.067 0.000 1.048 201 K CA 0.696 57.032 56.287 0.081 0.000 0.940 201 K CB -0.291 32.260 32.500 0.085 0.000 0.729 201 K HN 0.308 nan 8.250 nan 0.000 0.451 202 I N 1.201 121.721 120.570 -0.083 0.000 2.202 202 I HA -0.200 3.971 4.170 0.000 0.000 0.242 202 I C 2.135 178.222 176.117 -0.049 0.000 1.091 202 I CA 1.367 62.595 61.300 -0.120 0.000 1.368 202 I CB -0.965 36.926 38.000 -0.181 0.000 1.058 202 I HN 0.092 nan 8.210 nan 0.000 0.410 203 E N 1.067 121.263 120.200 -0.008 0.000 2.110 203 E HA -0.193 4.157 4.350 0.000 0.000 0.193 203 E C 2.119 178.752 176.600 0.055 0.000 0.988 203 E CA 1.103 57.515 56.400 0.021 0.000 0.804 203 E CB -0.104 29.613 29.700 0.029 0.000 0.745 203 E HN 0.442 nan 8.360 nan 0.000 0.458 204 E N -0.302 119.959 120.200 0.103 0.000 2.085 204 E HA -0.209 4.141 4.350 0.000 0.000 0.194 204 E C 2.026 178.764 176.600 0.230 0.000 0.994 204 E CA 1.087 57.605 56.400 0.198 0.000 0.801 204 E CB -0.161 29.701 29.700 0.269 0.000 0.743 204 E HN 0.150 nan 8.360 nan 0.000 0.453 205 L N 1.143 122.393 121.223 0.045 0.000 2.005 205 L HA -0.159 4.181 4.340 0.000 0.000 0.207 205 L C 2.188 178.986 176.870 -0.119 0.000 1.072 205 L CA 1.675 56.281 54.840 -0.389 0.000 0.744 205 L CB -0.136 41.478 42.059 -0.743 0.000 0.895 205 L HN -0.086 nan 8.230 nan 0.000 0.433 206 R N -0.978 119.487 120.500 -0.059 0.000 2.103 206 R HA -0.188 4.152 4.340 0.000 0.000 0.242 206 R C 2.333 178.652 176.300 0.032 0.000 1.142 206 R CA 1.592 57.683 56.100 -0.015 0.000 0.960 206 R CB -0.457 29.837 30.300 -0.010 0.000 0.858 206 R HN 0.483 nan 8.270 nan 0.000 0.439 207 Q N -0.411 119.427 119.800 0.063 0.000 2.119 207 Q HA -0.182 4.158 4.340 0.000 0.000 0.201 207 Q C 1.936 178.007 176.000 0.118 0.000 0.972 207 Q CA 1.597 57.448 55.803 0.080 0.000 0.847 207 Q CB -0.196 28.597 28.738 0.091 0.000 0.903 207 Q HN 0.505 nan 8.270 nan 0.000 0.433 208 H N 0.116 119.244 119.070 0.097 0.000 2.389 208 H HA -0.003 4.553 4.556 0.000 0.000 0.299 208 H C 1.983 177.447 175.328 0.228 0.000 1.081 208 H CA 1.280 57.439 56.048 0.186 0.000 1.345 208 H CB -0.051 29.849 29.762 0.231 0.000 1.393 208 H HN 0.095 nan 8.280 nan 0.000 0.520 209 L N -0.404 120.890 121.223 0.119 0.000 2.056 209 L HA -0.122 4.218 4.340 0.000 0.000 0.207 209 L C 2.501 179.418 176.870 0.078 0.000 1.078 209 L CA 0.849 55.741 54.840 0.088 0.000 0.749 209 L CB -0.314 41.772 42.059 0.044 0.000 0.901 209 L HN 0.313 nan 8.230 nan 0.000 0.433 210 L N -0.562 120.685 121.223 0.041 0.000 2.093 210 L HA -0.201 4.139 4.340 0.000 0.000 0.208 210 L C 2.708 179.559 176.870 -0.032 0.000 1.085 210 L CA 1.039 55.888 54.840 0.015 0.000 0.755 210 L CB -0.138 41.925 42.059 0.007 0.000 0.904 210 L HN 0.165 nan 8.230 nan 0.000 0.435 211 R N -1.363 119.087 120.500 -0.083 0.000 2.241 211 R HA -0.176 4.165 4.340 0.000 0.000 0.224 211 R C 0.629 176.641 176.300 -0.480 0.000 1.101 211 R CA 1.326 57.272 56.100 -0.258 0.000 0.995 211 R CB -0.031 30.105 30.300 -0.274 0.000 0.870 211 R HN 0.363 nan 8.270 nan 0.000 0.463 212 W N -0.789 120.431 121.300 -0.133 0.000 2.693 212 W HA 0.335 4.995 4.660 0.000 0.000 0.415 212 W C 0.717 177.212 176.519 -0.040 0.000 0.932 212 W CA 0.105 57.389 57.345 -0.103 0.000 2.200 212 W CB 0.786 30.151 29.460 -0.159 0.000 1.188 212 W HN 0.112 nan 8.180 nan 0.000 0.665 213 G N 1.395 110.250 108.800 0.092 0.000 2.198 213 G HA2 -0.309 3.652 3.960 0.000 0.000 0.260 213 G HA3 -0.309 3.652 3.960 0.000 0.000 0.260 213 G C -0.364 174.605 174.900 0.114 0.000 1.025 213 G CA 0.026 45.180 45.100 0.090 0.000 0.769 213 G HN 0.262 nan 8.290 nan 0.000 0.507 214 L N 1.316 122.604 121.223 0.109 0.000 2.343 214 L HA 0.541 4.881 4.340 0.000 0.000 0.278 214 L C 0.855 177.764 176.870 0.064 0.000 0.996 214 L CA -0.553 54.351 54.840 0.106 0.000 0.831 214 L CB 1.873 44.007 42.059 0.125 0.000 1.232 214 L HN 0.298 nan 8.230 nan 0.000 0.413 215 T N -0.678 113.906 114.554 0.050 0.000 2.904 215 T HA 0.679 5.029 4.350 0.000 0.000 0.290 215 T C 0.150 174.854 174.700 0.008 0.000 1.018 215 T CA -0.500 61.613 62.100 0.020 0.000 1.075 215 T CB 1.525 70.399 68.868 0.010 0.000 0.986 215 T HN 0.645 nan 8.240 nan 0.000 0.523 216 T N -0.365 114.183 114.554 -0.010 0.000 2.883 216 T HA 0.685 5.035 4.350 0.000 0.000 0.301 216 T C -3.138 171.539 174.700 -0.037 0.000 1.158 216 T CA -1.648 60.440 62.100 -0.020 0.000 1.007 216 T CB 1.332 70.189 68.868 -0.017 0.000 1.186 216 T HN 0.608 nan 8.240 nan 0.000 0.499 217 P HA 0.276 nan 4.420 nan 0.000 0.279 217 P C -0.528 176.775 177.300 0.005 0.000 1.239 217 P CA -0.322 62.743 63.100 -0.058 0.000 0.789 217 P CB 0.597 32.289 31.700 -0.013 0.000 0.933 218 D N 2.375 122.785 120.400 0.016 0.000 2.360 218 D HA -0.009 4.632 4.640 0.000 0.000 0.242 218 D C 0.818 177.222 176.300 0.174 0.000 1.184 218 D CA -0.398 53.664 54.000 0.104 0.000 0.930 218 D CB 1.152 42.017 40.800 0.109 0.000 1.161 218 D HN 0.260 nan 8.370 nan 0.000 0.447 219 K N 0.040 120.508 120.400 0.114 0.000 2.444 219 K HA -0.187 4.133 4.320 0.000 0.000 0.200 219 K C 1.260 177.907 176.600 0.079 0.000 1.045 219 K CA 1.141 57.482 56.287 0.090 0.000 0.934 219 K CB -0.083 32.457 32.500 0.065 0.000 0.756 219 K HN 0.439 nan 8.250 nan 0.000 0.477 220 K N -0.852 119.601 120.400 0.088 0.000 2.358 220 K HA 0.033 4.353 4.320 0.000 0.000 0.197 220 K C 0.684 177.135 176.600 -0.248 0.000 1.025 220 K CA 0.216 56.465 56.287 -0.064 0.000 1.104 220 K CB 0.358 32.793 32.500 -0.109 0.000 0.855 220 K HN 0.197 nan 8.250 nan 0.000 0.531 221 H N -0.463 118.622 119.070 0.026 0.000 3.046 221 H HA 0.159 4.715 4.556 0.000 0.000 0.262 221 H C -0.070 175.277 175.328 0.032 0.000 1.044 221 H CA -0.270 55.792 56.048 0.023 0.000 1.209 221 H CB 0.546 30.318 29.762 0.017 0.000 1.507 221 H HN -0.001 nan 8.280 nan 0.000 0.507 222 Q N 1.036 120.915 119.800 0.133 0.000 2.443 222 Q HA 0.199 4.539 4.340 0.000 0.000 0.232 222 Q C -0.234 175.827 176.000 0.102 0.000 1.026 222 Q CA -0.046 55.828 55.803 0.120 0.000 0.924 222 Q CB 0.903 29.717 28.738 0.126 0.000 1.256 222 Q HN 0.140 nan 8.270 nan 0.000 0.519 223 K N 1.249 121.730 120.400 0.135 0.000 2.126 223 K HA 0.108 4.428 4.320 0.000 0.000 0.257 223 K C 0.095 176.694 176.600 -0.002 0.000 1.007 223 K CA -0.193 56.140 56.287 0.076 0.000 0.928 223 K CB 0.707 33.286 32.500 0.132 0.000 1.013 223 K HN 0.489 nan 8.250 nan 0.000 0.473 224 E N 0.810 120.891 120.200 -0.199 0.000 4.442 224 E HA 0.379 4.729 4.350 0.000 0.000 0.185 224 E C -1.714 174.583 176.600 -0.506 0.000 1.080 224 E CA -0.843 55.401 56.400 -0.260 0.000 0.993 224 E CB -1.438 28.220 29.700 -0.070 0.000 1.905 224 E HN 0.218 nan 8.360 nan 0.000 0.416 225 P HA -0.172 nan 4.420 nan 0.000 0.259 225 P C -2.310 174.837 177.300 -0.256 0.000 1.200 225 P CA 1.201 64.188 63.100 -0.189 0.000 1.233 225 P CB -1.754 29.890 31.700 -0.094 0.000 0.678 226 P HA 0.274 nan 4.420 nan 0.000 0.288 226 P C -0.642 176.586 177.300 -0.120 0.000 1.363 226 P CA -0.312 62.712 63.100 -0.126 0.000 0.837 226 P CB -0.441 31.172 31.700 -0.145 0.000 0.981 227 F N 2.850 122.814 119.950 0.024 0.000 2.569 227 F HA -0.020 4.508 4.527 0.001 0.000 0.395 227 F C 1.152 177.043 175.800 0.152 0.000 1.028 227 F CA 0.391 58.455 58.000 0.106 0.000 1.158 227 F CB -0.197 38.881 39.000 0.130 0.000 1.023 227 F HN 0.121 nan 8.300 nan 0.000 0.547 228 L N 4.495 125.903 121.223 0.309 0.000 2.261 228 L HA 0.251 4.591 4.340 0.000 0.000 0.289 228 L C -0.763 176.342 176.870 0.392 0.000 1.059 228 L CA -0.371 54.642 54.840 0.289 0.000 0.816 228 L CB 0.532 42.696 42.059 0.176 0.000 1.191 228 L HN 0.702 nan 8.230 nan 0.000 0.431 229 W N 6.314 127.733 121.300 0.198 0.000 2.781 229 W HA 0.420 5.080 4.660 0.000 0.000 0.333 229 W C 0.205 176.819 176.519 0.159 0.000 1.047 229 W CA -1.016 56.410 57.345 0.135 0.000 1.236 229 W CB 1.414 30.886 29.460 0.021 0.000 1.394 229 W HN 0.484 nan 8.180 nan 0.000 0.466 230 M N 5.423 124.575 119.600 -0.748 0.000 2.545 230 M HA -0.186 4.294 4.480 0.000 0.000 0.192 230 M C 1.062 177.075 176.300 -0.478 0.000 0.512 230 M CA 2.116 56.901 55.300 -0.858 0.000 0.508 230 M CB -1.242 30.312 32.600 -1.742 0.000 1.844 230 M HN 1.499 nan 8.290 nan 0.000 0.756 231 G N -2.287 106.340 108.800 -0.287 0.000 2.131 231 G HA2 -0.264 3.696 3.960 0.000 0.000 0.223 231 G HA3 -0.264 3.696 3.960 0.000 0.000 0.223 231 G C -0.303 174.580 174.900 -0.028 0.000 0.990 231 G CA 0.017 44.962 45.100 -0.259 0.000 0.671 231 G HN 0.674 nan 8.290 nan 0.000 0.521 232 Y N -0.263 120.215 120.300 0.298 0.000 2.602 232 Y HA 0.674 5.225 4.550 0.000 0.000 0.342 232 Y C 0.379 176.483 175.900 0.340 0.000 1.029 232 Y CA -1.241 57.089 58.100 0.384 0.000 1.080 232 Y CB 1.294 39.987 38.460 0.389 0.000 1.284 232 Y HN 0.064 nan 8.280 nan 0.000 0.485 233 E N 1.895 122.421 120.200 0.544 0.000 2.114 233 E HA 0.348 4.699 4.350 0.000 0.000 0.266 233 E C -1.559 175.266 176.600 0.374 0.000 0.896 233 E CA -0.637 55.973 56.400 0.350 0.000 0.750 233 E CB 1.295 31.194 29.700 0.332 0.000 1.121 233 E HN 0.325 nan 8.360 nan 0.000 0.413 234 L N 4.239 125.640 121.223 0.297 0.000 2.270 234 L HA 0.229 4.569 4.340 0.000 0.000 0.286 234 L C -0.280 176.731 176.870 0.236 0.000 1.059 234 L CA -0.084 54.975 54.840 0.365 0.000 0.839 234 L CB -0.095 42.140 42.059 0.292 0.000 1.221 234 L HN 0.482 nan 8.230 nan 0.000 0.431 235 H N 3.152 122.479 119.070 0.428 0.000 2.499 235 H HA 0.320 4.876 4.556 0.000 0.000 0.352 235 H C -1.439 174.095 175.328 0.344 0.000 1.237 235 H CA -1.460 54.785 56.048 0.327 0.000 1.343 235 H CB 0.295 30.198 29.762 0.235 0.000 1.578 235 H HN 0.307 nan 8.280 nan 0.000 0.577 236 P HA -0.144 nan 4.420 nan 0.000 0.215 236 P C 0.147 177.624 177.300 0.296 0.000 1.153 236 P CA 1.668 64.913 63.100 0.242 0.000 0.853 236 P CB 0.238 32.038 31.700 0.167 0.000 0.788 237 D N -2.476 118.126 120.400 0.338 0.000 2.469 237 D HA 0.070 4.710 4.640 0.000 0.000 0.213 237 D C 0.417 176.895 176.300 0.297 0.000 1.135 237 D CA -0.148 54.055 54.000 0.338 0.000 0.834 237 D CB -0.073 40.823 40.800 0.160 0.000 1.009 237 D HN 0.254 nan 8.370 nan 0.000 0.507 238 K N -0.494 120.068 120.400 0.270 0.000 2.509 238 K HA 0.584 4.904 4.320 0.000 0.000 0.266 238 K C -1.335 175.347 176.600 0.137 0.000 0.987 238 K CA -1.155 55.120 56.287 -0.019 0.000 0.868 238 K CB 1.982 34.424 32.500 -0.096 0.000 1.421 238 K HN 0.164 nan 8.250 nan 0.000 0.444 239 W N 0.262 121.499 121.300 -0.103 0.000 3.083 239 W HA 0.700 5.360 4.660 0.001 0.000 0.333 239 W C -1.795 174.819 176.519 0.158 0.000 1.217 239 W CA -0.860 56.549 57.345 0.105 0.000 1.170 239 W CB 1.542 30.957 29.460 -0.074 0.000 1.437 239 W HN 0.781 nan 8.180 nan 0.000 0.557 240 T N 0.465 115.177 114.554 0.263 0.000 2.731 240 T HA 0.512 4.863 4.350 0.000 0.000 0.300 240 T C -0.886 174.080 174.700 0.444 0.000 1.283 240 T CA -0.230 61.826 62.100 -0.074 0.000 1.005 240 T CB 1.092 69.766 68.868 -0.324 0.000 1.420 240 T HN 0.829 nan 8.240 nan 0.000 0.503 241 V N 0.878 120.998 119.914 0.345 0.000 2.904 241 V HA 0.619 4.739 4.120 0.000 0.000 0.305 241 V C 0.360 176.666 176.094 0.352 0.000 1.067 241 V CA -0.798 61.771 62.300 0.448 0.000 1.044 241 V CB 0.696 32.703 31.823 0.307 0.000 1.050 241 V HN 0.956 nan 8.190 nan 0.000 0.475 242 Q N 2.167 122.169 119.800 0.336 0.000 2.386 242 Q HA 0.222 4.563 4.340 0.000 0.000 0.282 242 Q C -2.243 173.853 176.000 0.160 0.000 1.050 242 Q CA -1.045 54.885 55.803 0.212 0.000 0.918 242 Q CB 0.071 28.887 28.738 0.130 0.000 1.266 242 Q HN 0.631 nan 8.270 nan 0.000 0.423 243 P HA -0.095 nan 4.420 nan 0.000 0.261 243 P C -1.128 176.197 177.300 0.041 0.000 1.173 243 P CA 0.676 63.821 63.100 0.075 0.000 0.760 243 P CB 0.262 32.001 31.700 0.066 0.000 0.783 244 I N 3.618 124.193 120.570 0.009 0.000 2.307 244 I HA 0.130 4.300 4.170 0.000 0.000 0.289 244 I C -0.095 176.009 176.117 -0.023 0.000 1.021 244 I CA -0.448 60.842 61.300 -0.016 0.000 1.224 244 I CB 1.210 39.176 38.000 -0.057 0.000 1.376 244 I HN 0.010 nan 8.210 nan 0.000 0.470 245 V N 7.480 127.391 119.914 -0.005 0.000 2.353 245 V HA 0.229 4.349 4.120 0.000 0.000 0.264 245 V C 0.370 176.478 176.094 0.023 0.000 1.049 245 V CA -0.475 61.828 62.300 0.005 0.000 0.896 245 V CB 0.674 32.499 31.823 0.005 0.000 1.025 245 V HN 0.491 nan 8.190 nan 0.000 0.475 246 L N 8.585 129.825 121.223 0.028 0.000 2.312 246 L HA 0.321 4.661 4.340 0.000 0.000 0.287 246 L C -1.653 175.292 176.870 0.124 0.000 1.091 246 L CA -1.389 53.496 54.840 0.075 0.000 0.846 246 L CB 1.114 43.198 42.059 0.041 0.000 1.219 246 L HN 0.450 nan 8.230 nan 0.000 0.439 247 P HA 0.060 nan 4.420 nan 0.000 0.269 247 P C -0.589 176.778 177.300 0.113 0.000 1.209 247 P CA -0.285 62.865 63.100 0.083 0.000 0.776 247 P CB 0.986 32.676 31.700 -0.015 0.000 0.876 248 E N 1.919 122.122 120.200 0.006 0.000 2.130 248 E HA 0.274 4.624 4.350 0.000 0.000 0.284 248 E C -0.454 176.050 176.600 -0.159 0.000 1.018 248 E CA -0.118 56.288 56.400 0.010 0.000 0.817 248 E CB 0.441 30.145 29.700 0.007 0.000 1.078 248 E HN 0.205 nan 8.360 nan 0.000 0.396 249 K N 2.865 123.103 120.400 -0.268 0.000 2.422 249 K HA 0.240 4.560 4.320 0.000 0.000 0.251 249 K C -0.480 175.936 176.600 -0.307 0.000 0.933 249 K CA -0.761 55.193 56.287 -0.554 0.000 0.798 249 K CB 1.687 33.344 32.500 -1.405 0.000 1.238 249 K HN 0.331 nan 8.250 nan 0.000 0.428 250 D N 0.288 120.557 120.400 -0.219 0.000 2.213 250 D HA 0.003 4.644 4.640 0.000 0.000 0.205 250 D C -0.252 176.010 176.300 -0.063 0.000 0.961 250 D CA 1.049 55.002 54.000 -0.078 0.000 0.853 250 D CB 0.466 41.229 40.800 -0.062 0.000 0.967 250 D HN 0.202 nan 8.370 nan 0.000 0.496 251 S N -0.130 115.456 115.700 -0.190 0.000 2.594 251 S HA 0.370 4.840 4.470 0.000 0.000 0.296 251 S C -1.284 173.171 174.600 -0.241 0.000 1.124 251 S CA -0.754 57.382 58.200 -0.106 0.000 1.011 251 S CB 1.226 64.389 63.200 -0.062 0.000 1.016 251 S HN 0.084 nan 8.310 nan 0.000 0.485 252 W N 2.698 123.990 121.300 -0.013 0.000 2.329 252 W HA 0.433 5.093 4.660 0.000 0.000 0.312 252 W C 0.941 177.452 176.519 -0.013 0.000 1.054 252 W CA -0.599 56.738 57.345 -0.014 0.000 1.245 252 W CB 0.953 30.404 29.460 -0.014 0.000 1.255 252 W HN 0.627 nan 8.180 nan 0.000 0.436 253 T N -1.178 113.471 114.554 0.159 0.000 2.874 253 T HA 0.180 4.530 4.350 0.000 0.000 0.281 253 T C 1.001 175.775 174.700 0.123 0.000 0.994 253 T CA -0.741 61.419 62.100 0.101 0.000 1.015 253 T CB 1.378 70.270 68.868 0.041 0.000 1.028 253 T HN 0.220 nan 8.240 nan 0.000 0.523 254 V N 1.997 121.956 119.914 0.076 0.000 2.282 254 V HA -0.224 3.897 4.120 0.000 0.000 0.249 254 V C 2.891 179.021 176.094 0.061 0.000 1.057 254 V CA 2.590 64.925 62.300 0.058 0.000 1.032 254 V CB -1.325 30.518 31.823 0.034 0.000 0.645 254 V HN 1.018 nan 8.190 nan 0.000 0.447 255 N N 0.325 119.057 118.700 0.053 0.000 2.069 255 N HA -0.193 4.547 4.740 0.000 0.000 0.191 255 N C 1.507 177.063 175.510 0.077 0.000 1.031 255 N CA 1.973 55.050 53.050 0.045 0.000 0.852 255 N CB -0.300 38.203 38.487 0.025 0.000 1.018 255 N HN 0.503 nan 8.380 nan 0.000 0.423 256 D N 0.021 120.496 120.400 0.126 0.000 2.117 256 D HA -0.122 4.518 4.640 0.000 0.000 0.197 256 D C 2.031 178.513 176.300 0.303 0.000 0.987 256 D CA 1.027 55.167 54.000 0.233 0.000 0.829 256 D CB -0.265 40.708 40.800 0.289 0.000 0.961 256 D HN 0.446 nan 8.370 nan 0.000 0.460 257 I N 0.789 121.493 120.570 0.224 0.000 2.252 257 I HA -0.259 3.912 4.170 0.000 0.000 0.245 257 I C 2.619 178.751 176.117 0.024 0.000 1.102 257 I CA 0.976 62.312 61.300 0.061 0.000 1.385 257 I CB -0.298 37.708 38.000 0.009 0.000 1.064 257 I HN -0.072 nan 8.210 nan 0.000 0.414 258 Q N 0.919 120.742 119.800 0.039 0.000 2.061 258 Q HA -0.266 4.074 4.340 0.000 0.000 0.204 258 Q C 2.250 178.262 176.000 0.020 0.000 0.984 258 Q CA 1.880 57.694 55.803 0.020 0.000 0.846 258 Q CB -0.030 28.719 28.738 0.019 0.000 0.902 258 Q HN 0.419 nan 8.270 nan 0.000 0.421 259 K N 0.274 120.696 120.400 0.038 0.000 2.097 259 K HA -0.087 4.233 4.320 0.000 0.000 0.205 259 K C 2.028 178.649 176.600 0.036 0.000 1.050 259 K CA 0.714 57.020 56.287 0.031 0.000 0.938 259 K CB -0.134 32.389 32.500 0.039 0.000 0.718 259 K HN 0.172 nan 8.250 nan 0.000 0.442 260 L N 0.820 122.076 121.223 0.056 0.000 1.990 260 L HA -0.258 4.082 4.340 0.000 0.000 0.213 260 L C 2.121 178.981 176.870 -0.017 0.000 1.072 260 L CA 1.485 56.335 54.840 0.017 0.000 0.755 260 L CB -0.302 41.712 42.059 -0.076 0.000 0.889 260 L HN 0.042 nan 8.230 nan 0.000 0.432 261 V N 0.026 119.924 119.914 -0.026 0.000 2.282 261 V HA -0.279 3.841 4.120 0.000 0.000 0.249 261 V C 2.613 178.717 176.094 0.016 0.000 1.057 261 V CA 2.023 64.312 62.300 -0.019 0.000 1.032 261 V CB -1.367 30.442 31.823 -0.023 0.000 0.645 261 V HN 0.674 nan 8.190 nan 0.000 0.447 262 G N -0.524 108.290 108.800 0.023 0.000 2.418 262 G HA2 -0.254 3.706 3.960 0.000 0.000 0.217 262 G HA3 -0.254 3.706 3.960 0.000 0.000 0.217 262 G C 1.674 176.624 174.900 0.083 0.000 1.158 262 G CA 0.924 46.050 45.100 0.043 0.000 0.771 262 G HN 0.481 nan 8.290 nan 0.000 0.545 263 K N -0.253 120.179 120.400 0.053 0.000 2.097 263 K HA 0.133 4.453 4.320 0.000 0.000 0.205 263 K C 2.472 179.131 176.600 0.098 0.000 1.050 263 K CA 0.577 56.909 56.287 0.074 0.000 0.938 263 K CB -0.202 32.314 32.500 0.028 0.000 0.718 263 K HN 0.259 nan 8.250 nan 0.000 0.442 264 L N 0.891 122.142 121.223 0.046 0.000 2.072 264 L HA -0.155 4.185 4.340 0.000 0.000 0.205 264 L C 1.943 178.845 176.870 0.054 0.000 1.079 264 L CA 0.843 55.694 54.840 0.018 0.000 0.752 264 L CB -0.414 41.634 42.059 -0.019 0.000 0.906 264 L HN 0.189 nan 8.230 nan 0.000 0.436 265 N N -0.545 118.205 118.700 0.082 0.000 2.166 265 N HA -0.241 4.499 4.740 0.000 0.000 0.186 265 N C 1.535 177.140 175.510 0.158 0.000 1.019 265 N CA 1.213 54.324 53.050 0.102 0.000 0.856 265 N CB -0.257 38.293 38.487 0.106 0.000 0.993 265 N HN 0.491 nan 8.380 nan 0.000 0.426 266 W N 1.899 123.205 121.300 0.010 0.000 2.379 266 W HA -0.074 4.586 4.660 0.000 0.000 0.307 266 W C 1.999 178.562 176.519 0.074 0.000 1.200 266 W CA 1.586 58.944 57.345 0.021 0.000 1.297 266 W CB -0.169 29.270 29.460 -0.035 0.000 1.140 266 W HN 0.039 nan 8.180 nan 0.000 0.507 267 A N 0.888 123.780 122.820 0.121 0.000 1.978 267 A HA -0.257 4.063 4.320 0.000 0.000 0.220 267 A C 1.963 179.610 177.584 0.106 0.000 1.170 267 A CA 2.458 54.533 52.037 0.064 0.000 0.636 267 A CB -1.319 17.636 19.000 -0.075 0.000 0.810 267 A HN 0.391 nan 8.150 nan 0.000 0.448 268 S N -0.434 115.298 115.700 0.052 0.000 2.537 268 S HA -0.214 4.256 4.470 0.000 0.000 0.240 268 S C 1.617 176.220 174.600 0.005 0.000 0.981 268 S CA 1.286 59.504 58.200 0.031 0.000 0.948 268 S CB -0.515 62.689 63.200 0.007 0.000 0.759 268 S HN 0.717 nan 8.310 nan 0.000 0.531 269 Q N -0.556 119.256 119.800 0.020 0.000 2.230 269 Q HA 0.173 4.513 4.340 0.000 0.000 0.202 269 Q C 1.441 177.542 176.000 0.168 0.000 0.963 269 Q CA 1.057 56.925 55.803 0.108 0.000 0.866 269 Q CB -0.038 28.797 28.738 0.161 0.000 0.931 269 Q HN 0.613 nan 8.270 nan 0.000 0.452 270 I N -2.216 118.390 120.570 0.060 0.000 4.916 270 I HA 0.053 4.223 4.170 0.000 0.000 0.335 270 I C -0.777 175.189 176.117 -0.252 0.000 1.274 270 I CA -0.137 61.072 61.300 -0.151 0.000 1.365 270 I CB 0.928 38.632 38.000 -0.495 0.000 1.395 270 I HN -0.094 nan 8.210 nan 0.000 0.485 271 Y N 4.881 125.118 120.300 -0.105 0.000 2.477 271 Y HA 0.405 4.955 4.550 0.000 0.000 0.349 271 Y C -2.038 173.817 175.900 -0.075 0.000 0.977 271 Y CA -2.449 55.598 58.100 -0.089 0.000 1.214 271 Y CB 0.152 38.569 38.460 -0.073 0.000 1.124 271 Y HN 0.056 nan 8.280 nan 0.000 0.521 272 P HA 0.148 nan 4.420 nan 0.000 0.275 272 P C 0.733 178.036 177.300 0.006 0.000 1.227 272 P CA 0.406 63.498 63.100 -0.014 0.000 0.781 272 P CB 1.493 33.172 31.700 -0.036 0.000 0.906 273 G N 2.294 111.090 108.800 -0.006 0.000 2.176 273 G HA2 -0.202 3.758 3.960 0.000 0.000 0.253 273 G HA3 -0.202 3.758 3.960 0.000 0.000 0.253 273 G C 0.271 175.166 174.900 -0.008 0.000 0.979 273 G CA -0.488 44.607 45.100 -0.009 0.000 0.641 273 G HN 0.489 nan 8.290 nan 0.000 0.530 274 I N 1.137 121.708 120.570 0.002 0.000 2.741 274 I HA 0.130 4.301 4.170 0.000 0.000 0.288 274 I C 0.813 176.919 176.117 -0.019 0.000 1.192 274 I CA 0.996 62.293 61.300 -0.006 0.000 1.426 274 I CB 0.403 38.407 38.000 0.007 0.000 1.367 274 I HN 0.155 nan 8.210 nan 0.000 0.563 275 K N 4.854 125.235 120.400 -0.032 0.000 2.259 275 K HA 0.479 4.799 4.320 0.000 0.000 0.252 275 K C 0.147 176.718 176.600 -0.048 0.000 0.936 275 K CA -0.478 55.785 56.287 -0.040 0.000 0.810 275 K CB 2.913 35.383 32.500 -0.050 0.000 1.143 275 K HN 0.339 nan 8.250 nan 0.000 0.427 276 V N 3.061 122.948 119.914 -0.045 0.000 3.382 276 V HA 0.046 4.166 4.120 0.000 0.000 0.296 276 V C 1.679 177.740 176.094 -0.055 0.000 1.529 276 V CA 0.207 62.476 62.300 -0.052 0.000 1.048 276 V CB 0.156 31.958 31.823 -0.034 0.000 0.878 276 V HN 0.732 nan 8.190 nan 0.000 0.442 277 R N 0.201 120.669 120.500 -0.053 0.000 2.097 277 R HA -0.197 4.143 4.340 0.000 0.000 0.236 277 R C 2.073 178.339 176.300 -0.057 0.000 1.135 277 R CA 2.262 58.331 56.100 -0.052 0.000 0.934 277 R CB -0.016 30.252 30.300 -0.054 0.000 0.846 277 R HN 0.446 nan 8.270 nan 0.000 0.431 278 Q N 0.323 120.084 119.800 -0.065 0.000 2.170 278 Q HA -0.126 4.215 4.340 0.000 0.000 0.203 278 Q C 2.234 178.186 176.000 -0.081 0.000 0.976 278 Q CA 1.152 56.914 55.803 -0.069 0.000 0.858 278 Q CB -0.134 28.561 28.738 -0.072 0.000 0.907 278 Q HN 0.427 nan 8.270 nan 0.000 0.433 279 L N -0.761 120.404 121.223 -0.096 0.000 2.131 279 L HA -0.104 4.236 4.340 0.000 0.000 0.206 279 L C 2.470 179.290 176.870 -0.084 0.000 1.087 279 L CA 0.547 55.316 54.840 -0.117 0.000 0.767 279 L CB -0.297 41.671 42.059 -0.151 0.000 0.917 279 L HN 0.179 nan 8.230 nan 0.000 0.441 280 C N -0.253 119.009 119.300 -0.063 0.000 2.435 280 C HA -0.100 4.360 4.460 0.000 0.000 0.279 280 C C 2.737 177.704 174.990 -0.038 0.000 1.321 280 C CA 0.447 59.438 59.018 -0.044 0.000 1.752 280 C CB -0.622 27.096 27.740 -0.037 0.000 1.959 280 C HN 0.382 nan 8.230 nan 0.000 0.500 281 K N 0.782 121.156 120.400 -0.042 0.000 2.209 281 K HA -0.073 4.247 4.320 0.000 0.000 0.204 281 K C 1.625 178.207 176.600 -0.031 0.000 1.048 281 K CA 1.118 57.384 56.287 -0.035 0.000 0.940 281 K CB -0.276 32.202 32.500 -0.038 0.000 0.729 281 K HN 0.557 nan 8.250 nan 0.000 0.451 282 L N 0.492 121.691 121.223 -0.039 0.000 2.291 282 L HA -0.073 4.268 4.340 0.000 0.000 0.214 282 L C 2.086 178.944 176.870 -0.020 0.000 1.120 282 L CA 0.560 55.381 54.840 -0.032 0.000 0.799 282 L CB -0.336 41.695 42.059 -0.047 0.000 0.925 282 L HN 0.066 nan 8.230 nan 0.000 0.446 283 L N -0.469 120.741 121.223 -0.022 0.000 2.478 283 L HA 0.007 4.347 4.340 0.000 0.000 0.223 283 L C 1.039 177.904 176.870 -0.008 0.000 1.140 283 L CA 0.196 55.029 54.840 -0.012 0.000 0.842 283 L CB -0.273 41.778 42.059 -0.013 0.000 0.953 283 L HN 0.181 nan 8.230 nan 0.000 0.452 284 R N 0.071 120.565 120.500 -0.011 0.000 2.491 284 R HA 0.318 4.658 4.340 0.000 0.000 0.283 284 R C 0.912 177.209 176.300 -0.004 0.000 1.072 284 R CA 0.744 56.839 56.100 -0.008 0.000 1.048 284 R CB 0.578 30.872 30.300 -0.010 0.000 0.983 284 R HN 0.217 nan 8.270 nan 0.000 0.450 285 G N 0.850 109.649 108.800 -0.002 0.000 2.367 285 G HA2 -0.240 3.720 3.960 0.000 0.000 0.181 285 G HA3 -0.240 3.720 3.960 0.000 0.000 0.181 285 G C -0.026 174.875 174.900 0.002 0.000 1.000 285 G CA -0.266 44.834 45.100 -0.000 0.000 0.693 285 G HN 0.579 nan 8.290 nan 0.000 0.480 286 T N 0.479 115.034 114.554 0.002 0.000 2.964 286 T HA -0.152 4.199 4.350 0.000 0.000 0.458 286 T C 0.174 174.876 174.700 0.004 0.000 0.776 286 T CA 1.910 64.011 62.100 0.003 0.000 2.376 286 T CB -0.717 68.152 68.868 0.002 0.000 1.655 286 T HN 0.855 nan 8.240 nan 0.000 0.574 287 K N 0.715 121.118 120.400 0.006 0.000 2.258 287 K HA 0.827 5.147 4.320 0.000 0.000 0.236 287 K C 0.508 177.113 176.600 0.008 0.000 1.008 287 K CA -0.311 55.980 56.287 0.007 0.000 0.869 287 K CB 1.051 33.557 32.500 0.010 0.000 1.171 287 K HN 0.546 nan 8.250 nan 0.000 0.447 288 A N 1.488 124.312 122.820 0.008 0.000 2.565 288 A HA 0.020 4.340 4.320 0.000 0.000 0.237 288 A C 1.139 178.729 177.584 0.010 0.000 1.053 288 A CA 0.144 52.185 52.037 0.007 0.000 0.755 288 A CB -0.423 18.580 19.000 0.005 0.000 0.980 288 A HN 0.928 nan 8.150 nan 0.000 0.506 289 L N 2.661 123.889 121.223 0.008 0.000 2.191 289 L HA -0.111 4.230 4.340 0.000 0.000 0.212 289 L C 2.050 178.928 176.870 0.014 0.000 1.103 289 L CA 2.518 57.364 54.840 0.011 0.000 0.769 289 L CB -0.419 41.644 42.059 0.007 0.000 0.908 289 L HN 0.809 nan 8.230 nan 0.000 0.438 290 T N -3.592 110.967 114.554 0.009 0.000 3.100 290 T HA 0.046 4.397 4.350 0.000 0.000 0.253 290 T C 0.777 175.483 174.700 0.010 0.000 1.118 290 T CA -0.223 61.880 62.100 0.006 0.000 1.058 290 T CB -0.399 68.469 68.868 -0.001 0.000 0.953 290 T HN 0.485 nan 8.240 nan 0.000 0.515 291 E N 1.458 121.667 120.200 0.016 0.000 2.324 291 E HA 0.274 4.625 4.350 0.000 0.000 0.271 291 E C -0.751 175.869 176.600 0.033 0.000 1.028 291 E CA -0.399 56.012 56.400 0.019 0.000 0.890 291 E CB 0.799 30.510 29.700 0.017 0.000 1.004 291 E HN 0.108 nan 8.360 nan 0.000 0.431 292 V N 6.425 126.359 119.914 0.032 0.000 2.508 292 V HA 0.062 4.182 4.120 0.000 0.000 0.281 292 V C 0.270 176.399 176.094 0.058 0.000 1.041 292 V CA -0.040 62.290 62.300 0.051 0.000 1.016 292 V CB 0.752 32.596 31.823 0.034 0.000 0.984 292 V HN 0.565 nan 8.190 nan 0.000 0.478 293 I N 7.236 127.858 120.570 0.087 0.000 2.355 293 I HA 0.383 4.553 4.170 0.000 0.000 0.288 293 I C -2.289 173.876 176.117 0.079 0.000 0.999 293 I CA -2.495 58.845 61.300 0.067 0.000 1.163 293 I CB 1.510 39.540 38.000 0.050 0.000 1.316 293 I HN 0.431 nan 8.210 nan 0.000 0.454 294 P HA 0.170 nan 4.420 nan 0.000 0.267 294 P C -0.328 176.990 177.300 0.030 0.000 1.205 294 P CA -0.427 62.704 63.100 0.052 0.000 0.765 294 P CB 0.549 32.269 31.700 0.032 0.000 0.828 295 L N 3.632 124.874 121.223 0.032 0.000 2.410 295 L HA 0.186 4.527 4.340 0.000 0.000 0.273 295 L C 1.209 178.066 176.870 -0.021 0.000 1.152 295 L CA 0.611 55.438 54.840 -0.022 0.000 0.855 295 L CB 0.123 42.153 42.059 -0.049 0.000 1.129 295 L HN 0.474 nan 8.230 nan 0.000 0.463 296 T N -0.547 113.984 114.554 -0.037 0.000 2.828 296 T HA 0.128 4.478 4.350 0.000 0.000 0.290 296 T C 0.993 175.671 174.700 -0.035 0.000 1.019 296 T CA -0.436 61.646 62.100 -0.031 0.000 1.031 296 T CB 0.839 69.686 68.868 -0.035 0.000 1.001 296 T HN 0.606 nan 8.240 nan 0.000 0.531 297 E N 0.586 120.769 120.200 -0.028 0.000 2.077 297 E HA -0.140 4.211 4.350 0.000 0.000 0.193 297 E C 1.883 178.460 176.600 -0.038 0.000 0.989 297 E CA 1.557 57.941 56.400 -0.028 0.000 0.800 297 E CB -0.405 29.282 29.700 -0.022 0.000 0.746 297 E HN 0.805 nan 8.360 nan 0.000 0.452 298 E N 0.101 120.276 120.200 -0.042 0.000 2.085 298 E HA -0.139 4.211 4.350 0.000 0.000 0.194 298 E C 1.930 178.492 176.600 -0.063 0.000 0.994 298 E CA 1.488 57.858 56.400 -0.049 0.000 0.801 298 E CB -0.491 29.181 29.700 -0.047 0.000 0.743 298 E HN 0.388 nan 8.360 nan 0.000 0.453 299 A N 0.542 123.318 122.820 -0.073 0.000 1.929 299 A HA -0.154 4.167 4.320 0.000 0.000 0.216 299 A C 2.114 179.629 177.584 -0.115 0.000 1.176 299 A CA 1.497 53.472 52.037 -0.104 0.000 0.628 299 A CB -0.382 18.547 19.000 -0.119 0.000 0.816 299 A HN 0.173 nan 8.150 nan 0.000 0.444 300 E N -0.543 119.605 120.200 -0.087 0.000 2.106 300 E HA -0.127 4.224 4.350 0.000 0.000 0.192 300 E C 1.724 178.288 176.600 -0.059 0.000 0.984 300 E CA 0.844 57.202 56.400 -0.070 0.000 0.806 300 E CB -0.169 29.509 29.700 -0.037 0.000 0.750 300 E HN 0.380 nan 8.360 nan 0.000 0.458 301 L N 0.856 122.047 121.223 -0.053 0.000 2.056 301 L HA -0.094 4.246 4.340 0.000 0.000 0.207 301 L C 2.261 179.098 176.870 -0.055 0.000 1.078 301 L CA 1.774 56.587 54.840 -0.046 0.000 0.749 301 L CB -0.855 41.178 42.059 -0.042 0.000 0.901 301 L HN 0.227 nan 8.230 nan 0.000 0.433 302 E N -0.604 119.555 120.200 -0.069 0.000 2.077 302 E HA -0.252 4.098 4.350 0.000 0.000 0.193 302 E C 2.226 178.775 176.600 -0.085 0.000 0.989 302 E CA 0.996 57.350 56.400 -0.076 0.000 0.800 302 E CB -0.080 29.569 29.700 -0.086 0.000 0.746 302 E HN 0.255 nan 8.360 nan 0.000 0.452 303 L N 0.667 121.825 121.223 -0.108 0.000 2.083 303 L HA -0.084 4.256 4.340 0.000 0.000 0.209 303 L C 2.170 178.997 176.870 -0.072 0.000 1.083 303 L CA 2.093 56.860 54.840 -0.121 0.000 0.752 303 L CB -0.616 41.336 42.059 -0.178 0.000 0.899 303 L HN 0.146 nan 8.230 nan 0.000 0.433 304 A N -1.100 121.689 122.820 -0.052 0.000 1.898 304 A HA -0.229 4.092 4.320 0.000 0.000 0.216 304 A C 2.321 179.887 177.584 -0.030 0.000 1.181 304 A CA 1.672 53.690 52.037 -0.031 0.000 0.620 304 A CB -0.649 18.336 19.000 -0.024 0.000 0.819 304 A HN 0.566 nan 8.150 nan 0.000 0.442 305 E N -0.219 119.959 120.200 -0.037 0.000 2.106 305 E HA -0.184 4.167 4.350 0.000 0.000 0.192 305 E C 1.646 178.227 176.600 -0.032 0.000 0.984 305 E CA 1.063 57.443 56.400 -0.033 0.000 0.806 305 E CB -0.068 29.609 29.700 -0.038 0.000 0.750 305 E HN 0.560 nan 8.360 nan 0.000 0.458 306 N N 0.539 119.213 118.700 -0.043 0.000 2.142 306 N HA -0.107 4.633 4.740 0.000 0.000 0.186 306 N C 1.725 177.206 175.510 -0.048 0.000 1.023 306 N CA 0.786 53.807 53.050 -0.049 0.000 0.852 306 N CB -0.223 38.224 38.487 -0.067 0.000 0.998 306 N HN 0.138 nan 8.380 nan 0.000 0.424 307 R N 0.931 121.407 120.500 -0.040 0.000 2.127 307 R HA -0.052 4.289 4.340 0.000 0.000 0.238 307 R C 1.713 178.002 176.300 -0.018 0.000 1.134 307 R CA 0.781 56.864 56.100 -0.029 0.000 0.975 307 R CB 0.006 30.299 30.300 -0.012 0.000 0.865 307 R HN 0.281 nan 8.270 nan 0.000 0.447 308 E N 0.672 120.864 120.200 -0.012 0.000 2.072 308 E HA -0.120 4.230 4.350 0.000 0.000 0.191 308 E C 2.015 178.623 176.600 0.014 0.000 0.985 308 E CA 0.969 57.368 56.400 -0.001 0.000 0.801 308 E CB -0.016 29.681 29.700 -0.005 0.000 0.750 308 E HN 0.338 nan 8.360 nan 0.000 0.452 309 I N 0.565 121.146 120.570 0.018 0.000 2.315 309 I HA -0.239 3.931 4.170 0.000 0.000 0.248 309 I C 2.145 178.332 176.117 0.117 0.000 1.117 309 I CA 0.815 62.157 61.300 0.071 0.000 1.404 309 I CB -0.072 37.968 38.000 0.067 0.000 1.071 309 I HN 0.011 nan 8.210 nan 0.000 0.419 310 L N 0.793 122.001 121.223 -0.025 0.000 2.558 310 L HA -0.033 4.307 4.340 0.000 0.000 0.225 310 L C 2.419 179.273 176.870 -0.026 0.000 1.128 310 L CA 0.300 55.053 54.840 -0.145 0.000 0.868 310 L CB -0.392 41.498 42.059 -0.283 0.000 1.006 310 L HN 0.256 nan 8.230 nan 0.000 0.454 311 K N -0.079 120.330 120.400 0.015 0.000 2.097 311 K HA -0.066 4.254 4.320 0.000 0.000 0.206 311 K C 0.357 176.986 176.600 0.050 0.000 1.049 311 K CA 0.953 57.255 56.287 0.023 0.000 0.933 311 K CB 0.075 32.585 32.500 0.017 0.000 0.717 311 K HN 0.109 nan 8.250 nan 0.000 0.442 312 E N 1.976 122.225 120.200 0.082 0.000 2.166 312 E HA 0.298 4.648 4.350 0.000 0.000 0.275 312 E C -2.533 174.161 176.600 0.156 0.000 0.941 312 E CA -2.732 53.721 56.400 0.088 0.000 0.784 312 E CB 1.691 31.424 29.700 0.055 0.000 1.115 312 E HN 0.123 nan 8.360 nan 0.000 0.399 313 P HA 0.108 nan 4.420 nan 0.000 0.276 313 P C -0.641 176.628 177.300 -0.051 0.000 1.235 313 P CA -0.240 62.931 63.100 0.118 0.000 0.772 313 P CB 0.653 32.424 31.700 0.119 0.000 0.871 314 V N 4.550 124.223 119.914 -0.403 0.000 2.495 314 V HA 0.356 4.476 4.120 0.000 0.000 0.298 314 V C -0.107 175.531 176.094 -0.760 0.000 1.031 314 V CA -0.462 61.469 62.300 -0.615 0.000 0.871 314 V CB 1.161 32.406 31.823 -0.964 0.000 0.988 314 V HN 0.590 nan 8.190 nan 0.000 0.432 315 H N 1.214 120.024 119.070 -0.434 0.000 2.710 315 H HA 0.807 5.363 4.556 0.000 0.000 0.361 315 H C 0.383 175.358 175.328 -0.590 0.000 1.175 315 H CA 0.002 55.761 56.048 -0.481 0.000 1.206 315 H CB 1.910 31.470 29.762 -0.336 0.000 1.750 315 H HN 0.889 nan 8.280 nan 0.000 0.553 316 G N 0.125 108.452 108.800 -0.789 0.000 2.453 316 G HA2 0.497 4.457 3.960 0.000 0.000 0.323 316 G HA3 0.497 4.457 3.960 0.000 0.000 0.323 316 G C -1.006 173.608 174.900 -0.478 0.000 1.198 316 G CA -0.473 44.132 45.100 -0.824 0.000 0.959 316 G HN 0.497 nan 8.290 nan 0.000 0.482 317 V N 0.375 120.229 119.914 -0.101 0.000 2.973 317 V HA 0.521 4.641 4.120 0.000 0.000 0.314 317 V C -0.574 175.589 176.094 0.115 0.000 1.066 317 V CA -0.633 61.656 62.300 -0.019 0.000 1.021 317 V CB 1.331 33.173 31.823 0.032 0.000 1.076 317 V HN 0.632 nan 8.190 nan 0.000 0.462 318 Y N 1.298 121.776 120.300 0.298 0.000 2.432 318 Y HA 0.363 4.913 4.550 0.000 0.000 0.322 318 Y C -0.270 175.790 175.900 0.268 0.000 1.246 318 Y CA -0.287 57.978 58.100 0.276 0.000 1.268 318 Y CB 0.727 39.293 38.460 0.178 0.000 1.276 318 Y HN 0.587 nan 8.280 nan 0.000 0.499 319 Y N 1.952 122.448 120.300 0.327 0.000 2.359 319 Y HA 0.156 4.707 4.550 0.000 0.000 0.330 319 Y C -0.506 175.467 175.900 0.120 0.000 1.143 319 Y CA -0.933 57.291 58.100 0.208 0.000 1.318 319 Y CB 0.543 39.197 38.460 0.323 0.000 1.234 319 Y HN 0.486 nan 8.280 nan 0.000 0.522 320 D N 8.664 128.820 120.400 -0.406 0.000 2.461 320 D HA 0.288 4.929 4.640 0.000 0.000 0.240 320 D C -2.063 173.743 176.300 -0.823 0.000 1.094 320 D CA -2.513 51.217 54.000 -0.450 0.000 0.868 320 D CB 1.699 42.385 40.800 -0.191 0.000 1.062 320 D HN 0.334 nan 8.370 nan 0.000 0.530 321 P HA -0.152 nan 4.420 nan 0.000 0.221 321 P C 1.156 178.296 177.300 -0.267 0.000 1.145 321 P CA 0.761 63.478 63.100 -0.637 0.000 0.795 321 P CB 0.159 31.681 31.700 -0.297 0.000 0.775 322 S N -1.574 113.995 115.700 -0.217 0.000 2.428 322 S HA -0.026 4.444 4.470 0.000 0.000 0.230 322 S C 0.990 175.526 174.600 -0.106 0.000 1.014 322 S CA 0.414 58.539 58.200 -0.124 0.000 0.957 322 S CB -0.596 62.543 63.200 -0.102 0.000 0.784 322 S HN 0.160 nan 8.310 nan 0.000 0.499 323 K N 1.272 121.593 120.400 -0.131 0.000 2.095 323 K HA 0.413 4.734 4.320 0.000 0.000 0.252 323 K C -0.949 175.602 176.600 -0.082 0.000 0.977 323 K CA -0.801 55.429 56.287 -0.096 0.000 0.900 323 K CB 0.557 33.002 32.500 -0.091 0.000 1.060 323 K HN 0.059 nan 8.250 nan 0.000 0.449 324 D N 1.049 121.401 120.400 -0.080 0.000 2.329 324 D HA 0.157 4.798 4.640 0.000 0.000 0.246 324 D C -0.585 175.620 176.300 -0.157 0.000 1.111 324 D CA -0.268 53.672 54.000 -0.098 0.000 0.941 324 D CB 0.791 41.533 40.800 -0.096 0.000 1.169 324 D HN 0.002 nan 8.370 nan 0.000 0.441 325 L N 2.460 123.545 121.223 -0.231 0.000 2.289 325 L HA 0.429 4.770 4.340 0.000 0.000 0.285 325 L C -0.134 176.485 176.870 -0.419 0.000 1.049 325 L CA -0.296 54.309 54.840 -0.391 0.000 0.804 325 L CB 0.703 42.457 42.059 -0.508 0.000 1.195 325 L HN 0.289 nan 8.230 nan 0.000 0.428 326 I N 3.325 123.575 120.570 -0.533 0.000 2.436 326 I HA 0.570 4.740 4.170 0.000 0.000 0.289 326 I C -0.101 175.578 176.117 -0.730 0.000 1.010 326 I CA -0.443 60.475 61.300 -0.637 0.000 1.098 326 I CB 1.962 39.539 38.000 -0.706 0.000 1.266 326 I HN 0.647 nan 8.210 nan 0.000 0.434 327 A N 5.779 128.225 122.820 -0.623 0.000 2.318 327 A HA 0.732 5.053 4.320 0.000 0.000 0.324 327 A C -0.638 176.820 177.584 -0.210 0.000 1.170 327 A CA -0.494 51.263 52.037 -0.467 0.000 0.810 327 A CB 0.863 19.440 19.000 -0.705 0.000 1.198 327 A HN 0.723 nan 8.150 nan 0.000 0.484 328 E N 1.632 121.819 120.200 -0.020 0.000 2.210 328 E HA 0.571 4.921 4.350 0.000 0.000 0.266 328 E C -1.292 175.424 176.600 0.194 0.000 0.883 328 E CA -0.381 56.087 56.400 0.113 0.000 0.761 328 E CB 2.165 31.969 29.700 0.173 0.000 1.156 328 E HN 0.631 nan 8.360 nan 0.000 0.412 329 I N 2.175 122.859 120.570 0.190 0.000 2.530 329 I HA 0.291 4.461 4.170 0.000 0.000 0.297 329 I C -0.625 175.633 176.117 0.236 0.000 1.011 329 I CA -0.788 60.654 61.300 0.238 0.000 1.107 329 I CB 1.794 39.896 38.000 0.170 0.000 1.285 329 I HN 0.326 nan 8.210 nan 0.000 0.436 330 Q N 3.931 123.896 119.800 0.274 0.000 2.372 330 Q HA 0.414 4.754 4.340 0.000 0.000 0.273 330 Q C -0.925 175.178 176.000 0.172 0.000 1.078 330 Q CA -0.898 55.021 55.803 0.194 0.000 0.806 330 Q CB 2.613 31.406 28.738 0.092 0.000 1.332 330 Q HN 0.341 nan 8.270 nan 0.000 0.435 331 K N 1.908 122.298 120.400 -0.017 0.000 2.285 331 K HA 0.129 4.449 4.320 0.000 0.000 0.286 331 K C -0.440 175.986 176.600 -0.291 0.000 1.072 331 K CA -0.046 55.952 56.287 -0.480 0.000 0.913 331 K CB 0.579 32.747 32.500 -0.554 0.000 1.067 331 K HN 0.722 nan 8.250 nan 0.000 0.479 332 Q N 2.947 122.557 119.800 -0.316 0.000 2.211 332 Q HA 0.338 4.678 4.340 0.000 0.000 0.301 332 Q C 0.139 176.021 176.000 -0.196 0.000 0.884 332 Q CA -0.652 55.041 55.803 -0.184 0.000 1.115 332 Q CB 0.896 29.570 28.738 -0.107 0.000 1.217 332 Q HN 0.801 nan 8.270 nan 0.000 0.451 333 G N 0.535 109.186 108.800 -0.248 0.000 2.331 333 G HA2 -0.114 3.846 3.960 0.000 0.000 0.402 333 G HA3 -0.114 3.846 3.960 0.000 0.000 0.402 333 G C -1.783 172.966 174.900 -0.251 0.000 1.275 333 G CA -1.129 43.852 45.100 -0.200 0.000 1.003 333 G HN 0.168 nan 8.290 nan 0.000 0.500 334 Q N 0.460 120.161 119.800 -0.165 0.000 2.293 334 Q HA 0.499 4.840 4.340 0.000 0.000 0.263 334 Q C 1.414 177.344 176.000 -0.116 0.000 1.002 334 Q CA 1.945 57.671 55.803 -0.128 0.000 0.910 334 Q CB 0.542 29.234 28.738 -0.078 0.000 1.185 334 Q HN 2.463 nan 8.270 nan 0.000 0.401 335 G N 3.228 111.979 108.800 -0.082 0.000 2.196 335 G HA2 -0.324 3.636 3.960 0.000 0.000 0.268 335 G HA3 -0.324 3.636 3.960 0.000 0.000 0.268 335 G C -0.095 174.782 174.900 -0.038 0.000 0.975 335 G CA 0.494 45.619 45.100 0.041 0.000 0.648 335 G HN 0.569 nan 8.290 nan 0.000 0.538 336 Q N -0.932 118.691 119.800 -0.296 0.000 2.278 336 Q HA 0.565 4.905 4.340 0.000 0.000 0.257 336 Q C -0.904 174.759 176.000 -0.563 0.000 0.928 336 Q CA -0.522 55.126 55.803 -0.258 0.000 0.932 336 Q CB 0.976 29.606 28.738 -0.180 0.000 1.221 336 Q HN 0.414 nan 8.270 nan 0.000 0.434 337 W N 0.851 122.217 121.300 0.109 0.000 2.883 337 W HA 0.419 5.080 4.660 0.001 0.000 0.335 337 W C -0.248 176.370 176.519 0.164 0.000 1.083 337 W CA -0.603 56.837 57.345 0.159 0.000 1.233 337 W CB 2.170 31.784 29.460 0.257 0.000 1.412 337 W HN 0.312 nan 8.180 nan 0.000 0.490 338 T N 2.812 117.565 114.554 0.331 0.000 2.863 338 T HA 0.676 5.026 4.350 0.000 0.000 0.285 338 T C -1.474 173.399 174.700 0.289 0.000 1.009 338 T CA -0.433 61.791 62.100 0.207 0.000 0.989 338 T CB 0.580 69.493 68.868 0.074 0.000 1.004 338 T HN 0.316 nan 8.240 nan 0.000 0.455 339 Y N 1.706 122.094 120.300 0.147 0.000 2.553 339 Y HA 0.844 5.394 4.550 0.001 0.000 0.347 339 Y C -1.244 174.719 175.900 0.105 0.000 1.019 339 Y CA -1.291 56.884 58.100 0.125 0.000 1.032 339 Y CB 1.396 39.932 38.460 0.125 0.000 1.284 339 Y HN 0.419 nan 8.280 nan 0.000 0.466 340 Q N 2.859 122.827 119.800 0.281 0.000 2.347 340 Q HA 0.670 5.011 4.340 0.000 0.000 0.271 340 Q C -1.568 174.552 176.000 0.199 0.000 1.064 340 Q CA -0.562 55.369 55.803 0.213 0.000 0.800 340 Q CB 3.211 32.081 28.738 0.221 0.000 1.304 340 Q HN 0.774 nan 8.270 nan 0.000 0.438 341 I N 3.175 123.847 120.570 0.171 0.000 2.406 341 I HA 0.566 4.736 4.170 0.000 0.000 0.290 341 I C -1.050 175.082 176.117 0.025 0.000 0.999 341 I CA -1.061 60.232 61.300 -0.012 0.000 1.124 341 I CB 0.714 38.721 38.000 0.012 0.000 1.289 341 I HN 0.633 nan 8.210 nan 0.000 0.441 342 Y N 3.078 123.325 120.300 -0.088 0.000 2.644 342 Y HA 0.567 5.118 4.550 0.001 0.000 0.338 342 Y C -0.005 175.801 175.900 -0.156 0.000 1.119 342 Y CA -0.930 57.117 58.100 -0.089 0.000 1.060 342 Y CB 1.108 39.545 38.460 -0.039 0.000 1.294 342 Y HN 0.444 nan 8.280 nan 0.000 0.472 343 Q N -0.488 119.402 119.800 0.150 0.000 2.548 343 Q HA 0.221 4.562 4.340 0.000 0.000 0.230 343 Q C -0.608 175.453 176.000 0.101 0.000 0.899 343 Q CA 0.214 56.039 55.803 0.037 0.000 0.936 343 Q CB 0.775 29.502 28.738 -0.018 0.000 1.114 343 Q HN 0.573 nan 8.270 nan 0.000 0.606 344 E N 1.734 121.974 120.200 0.067 0.000 2.158 344 E HA 0.301 4.651 4.350 0.000 0.000 0.271 344 E C -2.544 173.884 176.600 -0.287 0.000 0.911 344 E CA -2.451 53.907 56.400 -0.070 0.000 0.767 344 E CB 1.311 30.957 29.700 -0.091 0.000 1.120 344 E HN -0.036 nan 8.360 nan 0.000 0.405 345 P HA -0.127 nan 4.420 nan 0.000 0.255 345 P C -0.374 176.186 177.300 -1.234 0.000 1.151 345 P CA 0.916 63.220 63.100 -1.327 0.000 0.767 345 P CB -0.399 30.593 31.700 -1.179 0.000 0.736 346 F N 0.527 119.903 119.950 -0.958 0.000 2.840 346 F HA -0.252 4.275 4.527 0.000 0.000 0.310 346 F C 0.770 176.398 175.800 -0.286 0.000 0.688 346 F CA 0.270 57.950 58.000 -0.533 0.000 1.286 346 F CB -1.506 37.296 39.000 -0.331 0.000 1.612 346 F HN 0.320 nan 8.300 nan 0.000 0.335 347 K N 2.156 122.458 120.400 -0.164 0.000 2.291 347 K HA 0.207 4.527 4.320 0.000 0.000 0.242 347 K C 0.007 176.623 176.600 0.026 0.000 1.098 347 K CA -0.439 55.811 56.287 -0.062 0.000 1.036 347 K CB 0.252 32.709 32.500 -0.072 0.000 1.655 347 K HN 0.073 nan 8.250 nan 0.000 0.432 348 N N 2.311 121.044 118.700 0.056 0.000 2.458 348 N HA -0.046 4.694 4.740 0.000 0.000 0.258 348 N C 1.098 176.686 175.510 0.130 0.000 1.219 348 N CA 0.085 53.213 53.050 0.130 0.000 0.902 348 N CB 0.868 39.405 38.487 0.083 0.000 1.076 348 N HN 0.249 nan 8.380 nan 0.000 0.455 349 L N 1.930 123.285 121.223 0.218 0.000 2.084 349 L HA 0.056 4.397 4.340 0.000 0.000 0.202 349 L C 1.067 178.252 176.870 0.525 0.000 1.074 349 L CA 1.489 56.547 54.840 0.362 0.000 0.757 349 L CB -0.172 42.075 42.059 0.313 0.000 0.918 349 L HN 0.685 nan 8.230 nan 0.000 0.444 350 K N -3.027 117.613 120.400 0.400 0.000 2.522 350 K HA 0.579 4.899 4.320 0.000 0.000 0.275 350 K C -1.108 175.616 176.600 0.206 0.000 1.006 350 K CA -0.770 55.749 56.287 0.386 0.000 0.890 350 K CB 1.730 34.453 32.500 0.373 0.000 1.475 350 K HN -0.291 nan 8.250 nan 0.000 0.441 351 T N -0.778 113.841 114.554 0.108 0.000 2.907 351 T HA 0.850 5.200 4.350 0.000 0.000 0.290 351 T C -0.881 173.638 174.700 -0.302 0.000 1.066 351 T CA -0.260 61.795 62.100 -0.075 0.000 1.012 351 T CB 1.802 70.634 68.868 -0.060 0.000 1.184 351 T HN 0.915 nan 8.240 nan 0.000 0.522 352 G N 0.713 109.065 108.800 -0.747 0.000 2.451 352 G HA2 0.628 4.588 3.960 0.000 0.000 0.292 352 G HA3 0.628 4.588 3.960 0.000 0.000 0.292 352 G C -2.231 172.154 174.900 -0.858 0.000 1.427 352 G CA -1.000 43.497 45.100 -1.005 0.000 0.792 352 G HN 0.812 nan 8.290 nan 0.000 0.498 353 K N -1.344 118.894 120.400 -0.269 0.000 2.512 353 K HA 0.782 5.103 4.320 0.000 0.000 0.263 353 K C -2.031 174.795 176.600 0.377 0.000 0.966 353 K CA -1.162 55.186 56.287 0.101 0.000 0.851 353 K CB 2.841 35.374 32.500 0.055 0.000 1.395 353 K HN 0.698 nan 8.250 nan 0.000 0.440 354 Y N 0.449 120.933 120.300 0.307 0.000 2.457 354 Y HA 0.633 5.183 4.550 0.000 0.000 0.343 354 Y C -1.912 174.166 175.900 0.297 0.000 0.994 354 Y CA -0.452 57.814 58.100 0.276 0.000 1.031 354 Y CB 2.537 41.142 38.460 0.241 0.000 1.246 354 Y HN 0.941 nan 8.280 nan 0.000 0.449 355 A N 6.285 128.815 122.820 -0.483 0.000 2.626 355 A HA 0.620 4.940 4.320 0.000 0.000 0.293 355 A C -1.546 175.750 177.584 -0.480 0.000 1.111 355 A CA -0.549 51.305 52.037 -0.304 0.000 0.874 355 A CB 0.603 19.547 19.000 -0.092 0.000 1.451 355 A HN 0.774 nan 8.150 nan 0.000 0.396 356 R N 2.585 122.719 120.500 -0.610 0.000 2.515 356 R HA 0.526 4.866 4.340 0.000 0.000 0.291 356 R C -1.114 175.143 176.300 -0.072 0.000 1.046 356 R CA -0.648 55.255 56.100 -0.329 0.000 0.914 356 R CB 1.092 31.182 30.300 -0.350 0.000 1.191 356 R HN 0.513 nan 8.270 nan 0.000 0.435 357 M N 4.773 124.359 119.600 -0.023 0.000 2.725 357 M HA 0.245 4.726 4.480 0.000 0.000 0.322 357 M C -0.468 175.853 176.300 0.035 0.000 1.393 357 M CA -0.072 55.242 55.300 0.023 0.000 1.452 357 M CB 0.138 32.744 32.600 0.010 0.000 1.242 357 M HN 0.522 nan 8.290 nan 0.000 0.487 358 R N 1.716 122.257 120.500 0.069 0.000 2.288 358 R HA 0.411 4.751 4.340 0.000 0.000 0.330 358 R C 0.854 177.193 176.300 0.066 0.000 1.069 358 R CA 0.505 56.651 56.100 0.077 0.000 0.941 358 R CB 0.127 30.491 30.300 0.106 0.000 0.998 358 R HN 0.925 nan 8.270 nan 0.000 0.452 359 G N 1.702 110.528 108.800 0.042 0.000 2.660 359 G HA2 -0.259 3.702 3.960 0.000 0.000 0.215 359 G HA3 -0.259 3.702 3.960 0.000 0.000 0.215 359 G C 0.353 175.216 174.900 -0.062 0.000 1.345 359 G CA -0.250 44.858 45.100 0.014 0.000 0.877 359 G HN 0.573 nan 8.290 nan 0.000 0.549 360 A N -1.309 121.389 122.820 -0.202 0.000 1.911 360 A HA 0.457 4.777 4.320 0.000 0.000 0.212 360 A C 0.973 178.248 177.584 -0.515 0.000 1.189 360 A CA 1.912 53.684 52.037 -0.441 0.000 0.639 360 A CB -0.143 18.431 19.000 -0.710 0.000 0.839 360 A HN 1.148 nan 8.150 nan 0.000 0.449 361 H N -1.496 117.625 119.070 0.086 0.000 2.637 361 H HA 0.648 5.204 4.556 0.000 0.000 0.363 361 H C -1.067 174.316 175.328 0.093 0.000 1.131 361 H CA -0.099 55.997 56.048 0.079 0.000 1.183 361 H CB 1.459 31.264 29.762 0.071 0.000 1.637 361 H HN 0.136 nan 8.280 nan 0.000 0.531 362 T N 1.240 115.902 114.554 0.180 0.000 2.792 362 T HA 0.346 4.696 4.350 0.000 0.000 0.303 362 T C -1.221 173.521 174.700 0.070 0.000 1.310 362 T CA -0.886 61.281 62.100 0.112 0.000 1.007 362 T CB 1.798 70.722 68.868 0.093 0.000 1.335 362 T HN 0.886 nan 8.240 nan 0.000 0.504 363 N N 0.453 119.139 118.700 -0.025 0.000 2.469 363 N HA 0.464 5.204 4.740 0.000 0.000 0.286 363 N C 0.152 175.625 175.510 -0.063 0.000 1.275 363 N CA -0.681 52.328 53.050 -0.068 0.000 0.790 363 N CB 0.545 38.895 38.487 -0.228 0.000 1.446 363 N HN 0.346 nan 8.380 nan 0.000 0.501 364 D N -0.338 120.072 120.400 0.017 0.000 2.149 364 D HA -0.097 4.543 4.640 0.000 0.000 0.198 364 D C 1.663 177.906 176.300 -0.096 0.000 0.990 364 D CA 1.073 55.159 54.000 0.142 0.000 0.839 364 D CB -0.151 40.786 40.800 0.227 0.000 0.948 364 D HN 0.377 nan 8.370 nan 0.000 0.460 365 V N 0.744 120.439 119.914 -0.365 0.000 2.343 365 V HA -0.234 3.886 4.120 0.000 0.000 0.247 365 V C 2.309 178.094 176.094 -0.515 0.000 1.051 365 V CA 1.539 63.511 62.300 -0.546 0.000 1.036 365 V CB -0.410 30.832 31.823 -0.969 0.000 0.654 365 V HN 0.123 nan 8.190 nan 0.000 0.451 366 K N -0.259 119.814 120.400 -0.545 0.000 2.026 366 K HA -0.181 4.139 4.320 0.000 0.000 0.208 366 K C 2.398 178.859 176.600 -0.232 0.000 1.048 366 K CA 1.532 57.644 56.287 -0.292 0.000 0.929 366 K CB -0.268 32.110 32.500 -0.203 0.000 0.713 366 K HN 0.473 nan 8.250 nan 0.000 0.439 367 Q N 0.407 120.084 119.800 -0.205 0.000 2.096 367 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 367 Q C 2.223 177.768 176.000 -0.758 0.000 0.982 367 Q CA 1.314 56.974 55.803 -0.240 0.000 0.850 367 Q CB -0.168 28.640 28.738 0.117 0.000 0.901 367 Q HN 0.201 nan 8.270 nan 0.000 0.422 368 L N 0.341 121.032 121.223 -0.887 0.000 2.056 368 L HA -0.143 4.197 4.340 0.000 0.000 0.207 368 L C 2.136 178.547 176.870 -0.765 0.000 1.078 368 L CA 1.827 56.039 54.840 -1.046 0.000 0.749 368 L CB -0.603 41.007 42.059 -0.749 0.000 0.901 368 L HN 0.123 nan 8.230 nan 0.000 0.433 369 T N -0.897 113.342 114.554 -0.525 0.000 2.746 369 T HA -0.179 4.172 4.350 0.000 0.000 0.267 369 T C 1.699 176.128 174.700 -0.452 0.000 1.039 369 T CA 1.703 63.556 62.100 -0.412 0.000 1.142 369 T CB -0.245 68.574 68.868 -0.082 0.000 0.866 369 T HN 0.434 nan 8.240 nan 0.000 0.444 370 E N 1.036 120.970 120.200 -0.444 0.000 2.106 370 E HA 0.004 4.355 4.350 0.000 0.000 0.192 370 E C 2.535 178.637 176.600 -0.831 0.000 0.984 370 E CA 0.883 57.008 56.400 -0.459 0.000 0.806 370 E CB -0.216 29.325 29.700 -0.265 0.000 0.750 370 E HN 0.488 nan 8.360 nan 0.000 0.458 371 A N 0.737 122.885 122.820 -1.120 0.000 1.902 371 A HA -0.141 4.179 4.320 0.000 0.000 0.217 371 A C 2.469 179.608 177.584 -0.741 0.000 1.181 371 A CA 1.084 52.417 52.037 -1.174 0.000 0.623 371 A CB -0.639 17.777 19.000 -0.972 0.000 0.818 371 A HN 0.122 nan 8.150 nan 0.000 0.443 372 V N -0.217 119.252 119.914 -0.743 0.000 2.295 372 V HA -0.286 3.834 4.120 0.000 0.000 0.246 372 V C 2.773 178.536 176.094 -0.551 0.000 1.049 372 V CA 2.396 64.188 62.300 -0.846 0.000 1.024 372 V CB -0.715 30.395 31.823 -1.188 0.000 0.648 372 V HN 0.644 nan 8.190 nan 0.000 0.447 373 Q N 0.470 119.993 119.800 -0.463 0.000 2.061 373 Q HA -0.206 4.135 4.340 0.000 0.000 0.204 373 Q C 2.300 178.173 176.000 -0.212 0.000 0.984 373 Q CA 1.858 57.491 55.803 -0.283 0.000 0.846 373 Q CB -0.506 28.099 28.738 -0.223 0.000 0.902 373 Q HN 0.504 nan 8.270 nan 0.000 0.421 374 K N 0.041 120.277 120.400 -0.274 0.000 2.032 374 K HA -0.157 4.164 4.320 0.000 0.000 0.209 374 K C 2.014 178.515 176.600 -0.165 0.000 1.048 374 K CA 1.651 57.831 56.287 -0.178 0.000 0.927 374 K CB -0.359 32.033 32.500 -0.181 0.000 0.712 374 K HN 0.340 nan 8.250 nan 0.000 0.441 375 I N 0.751 121.169 120.570 -0.254 0.000 2.252 375 I HA -0.230 3.941 4.170 0.000 0.000 0.245 375 I C 2.279 178.376 176.117 -0.035 0.000 1.102 375 I CA 1.257 62.421 61.300 -0.227 0.000 1.385 375 I CB -0.455 37.359 38.000 -0.310 0.000 1.064 375 I HN 0.146 nan 8.210 nan 0.000 0.414 376 T N 0.250 114.829 114.554 0.040 0.000 2.652 376 T HA -0.200 4.151 4.350 0.000 0.000 0.267 376 T C 1.942 176.648 174.700 0.010 0.000 1.039 376 T CA 2.281 64.419 62.100 0.064 0.000 1.153 376 T CB -0.531 68.360 68.868 0.037 0.000 0.863 376 T HN 0.386 nan 8.240 nan 0.000 0.428 377 T N 1.606 116.148 114.554 -0.020 0.000 2.684 377 T HA -0.134 4.216 4.350 0.000 0.000 0.267 377 T C 1.895 176.574 174.700 -0.034 0.000 1.036 377 T CA 1.496 63.585 62.100 -0.019 0.000 1.148 377 T CB -0.330 68.527 68.868 -0.018 0.000 0.863 377 T HN 0.545 nan 8.240 nan 0.000 0.436 378 E N 0.857 121.028 120.200 -0.048 0.000 2.058 378 E HA -0.162 4.188 4.350 0.000 0.000 0.194 378 E C 2.322 178.843 176.600 -0.132 0.000 0.997 378 E CA 1.429 57.777 56.400 -0.086 0.000 0.801 378 E CB -0.100 29.562 29.700 -0.063 0.000 0.746 378 E HN 0.388 nan 8.360 nan 0.000 0.450 379 S N 0.398 116.093 115.700 -0.008 0.000 2.368 379 S HA -0.138 4.332 4.470 0.000 0.000 0.225 379 S C 1.947 176.587 174.600 0.067 0.000 1.030 379 S CA 1.130 59.427 58.200 0.162 0.000 0.999 379 S CB -0.215 63.107 63.200 0.204 0.000 0.844 379 S HN 0.286 nan 8.310 nan 0.000 0.459 380 I N 1.029 121.606 120.570 0.011 0.000 2.315 380 I HA -0.131 4.039 4.170 0.000 0.000 0.248 380 I C 2.125 178.207 176.117 -0.059 0.000 1.117 380 I CA 0.703 62.003 61.300 -0.001 0.000 1.404 380 I CB -0.385 37.622 38.000 0.011 0.000 1.071 380 I HN 0.135 nan 8.210 nan 0.000 0.419 381 V N 1.110 120.958 119.914 -0.110 0.000 2.244 381 V HA -0.261 3.859 4.120 0.000 0.000 0.244 381 V C 2.261 178.198 176.094 -0.263 0.000 1.042 381 V CA 2.011 64.224 62.300 -0.145 0.000 1.006 381 V CB -0.409 31.335 31.823 -0.131 0.000 0.641 381 V HN 0.302 nan 8.190 nan 0.000 0.446 382 I N -1.462 118.810 120.570 -0.497 0.000 2.252 382 I HA -0.196 3.975 4.170 0.000 0.000 0.245 382 I C 2.084 177.650 176.117 -0.919 0.000 1.102 382 I CA 1.663 62.421 61.300 -0.903 0.000 1.385 382 I CB -0.284 36.761 38.000 -1.591 0.000 1.064 382 I HN 0.410 nan 8.210 nan 0.000 0.414 383 W N 0.011 121.153 121.300 -0.263 0.000 2.871 383 W HA 0.393 5.054 4.660 0.000 0.000 0.340 383 W C 1.479 177.899 176.519 -0.164 0.000 1.058 383 W CA 0.521 57.648 57.345 -0.363 0.000 1.633 383 W CB -0.274 28.825 29.460 -0.601 0.000 1.067 383 W HN 0.312 nan 8.180 nan 0.000 0.554 384 G N 2.556 111.383 108.800 0.045 0.000 2.153 384 G HA2 -0.323 3.637 3.960 0.000 0.000 0.252 384 G HA3 -0.323 3.637 3.960 0.000 0.000 0.252 384 G C 0.152 175.097 174.900 0.075 0.000 0.994 384 G CA 1.097 46.228 45.100 0.052 0.000 0.698 384 G HN 0.390 nan 8.290 nan 0.000 0.521 385 K N -1.271 119.187 120.400 0.096 0.000 2.556 385 K HA 0.704 5.024 4.320 0.000 0.000 0.274 385 K C -0.181 176.454 176.600 0.057 0.000 0.966 385 K CA -0.401 55.930 56.287 0.073 0.000 0.865 385 K CB 1.029 33.572 32.500 0.071 0.000 1.444 385 K HN 0.445 nan 8.250 nan 0.000 0.433 386 T N -0.226 114.342 114.554 0.024 0.000 2.909 386 T HA 0.482 4.832 4.350 0.000 0.000 0.289 386 T C -1.982 172.653 174.700 -0.109 0.000 1.005 386 T CA -1.267 60.827 62.100 -0.010 0.000 1.084 386 T CB 0.723 69.609 68.868 0.029 0.000 0.975 386 T HN 0.506 nan 8.240 nan 0.000 0.509 387 P HA 0.449 nan 4.420 nan 0.000 0.281 387 P C -0.941 176.112 177.300 -0.412 0.000 1.281 387 P CA -0.951 61.898 63.100 -0.419 0.000 0.811 387 P CB 0.729 32.042 31.700 -0.644 0.000 1.154 388 K N 0.265 120.449 120.400 -0.359 0.000 2.227 388 K HA 0.413 4.734 4.320 0.000 0.000 0.280 388 K C -0.486 175.936 176.600 -0.298 0.000 1.041 388 K CA -0.221 55.941 56.287 -0.208 0.000 0.905 388 K CB 0.147 32.563 32.500 -0.140 0.000 1.068 388 K HN 0.277 nan 8.250 nan 0.000 0.470 389 F N 2.027 121.927 119.950 -0.084 0.000 2.379 389 F HA 0.322 4.849 4.527 0.000 0.000 0.332 389 F C 0.586 176.389 175.800 0.005 0.000 1.096 389 F CA -0.334 57.618 58.000 -0.080 0.000 1.105 389 F CB 1.145 40.063 39.000 -0.136 0.000 1.189 389 F HN 0.120 nan 8.300 nan 0.000 0.515 390 K N 4.607 125.120 120.400 0.189 0.000 2.559 390 K HA 0.485 4.805 4.320 0.000 0.000 0.249 390 K C -1.359 175.336 176.600 0.158 0.000 0.958 390 K CA -0.394 55.988 56.287 0.158 0.000 0.901 390 K CB 1.589 34.142 32.500 0.088 0.000 1.124 390 K HN 0.489 nan 8.250 nan 0.000 0.437 391 L N 3.790 125.131 121.223 0.195 0.000 2.331 391 L HA 0.455 4.796 4.340 0.000 0.000 0.275 391 L C -1.893 175.079 176.870 0.169 0.000 1.022 391 L CA -2.187 52.707 54.840 0.091 0.000 0.812 391 L CB 1.662 43.609 42.059 -0.187 0.000 1.257 391 L HN 0.346 nan 8.230 nan 0.000 0.435 392 P HA 0.221 nan 4.420 nan 0.000 0.220 392 P C -0.528 176.967 177.300 0.325 0.000 1.793 392 P CA 0.336 63.570 63.100 0.224 0.000 0.917 392 P CB 0.244 32.047 31.700 0.173 0.000 1.755 393 I N -0.407 120.401 120.570 0.397 0.000 2.647 393 I HA 0.278 4.449 4.170 0.000 0.000 0.295 393 I C -0.486 175.838 176.117 0.344 0.000 1.078 393 I CA -1.028 60.428 61.300 0.261 0.000 1.048 393 I CB 2.610 40.637 38.000 0.046 0.000 1.239 393 I HN -0.214 nan 8.210 nan 0.000 0.421 394 Q N 5.715 125.508 119.800 -0.013 0.000 2.352 394 Q HA 0.158 4.499 4.340 0.000 0.000 0.260 394 Q C 0.604 176.728 176.000 0.206 0.000 0.976 394 Q CA -0.163 55.502 55.803 -0.232 0.000 0.881 394 Q CB 1.240 29.786 28.738 -0.320 0.000 1.235 394 Q HN 0.569 nan 8.270 nan 0.000 0.419 395 K N 1.785 122.299 120.400 0.190 0.000 2.152 395 K HA -0.209 4.111 4.320 0.000 0.000 0.206 395 K C 1.544 178.342 176.600 0.330 0.000 1.048 395 K CA 1.173 57.646 56.287 0.311 0.000 0.933 395 K CB 0.232 32.730 32.500 -0.003 0.000 0.721 395 K HN 0.651 nan 8.250 nan 0.000 0.447 396 E N 0.334 120.623 120.200 0.149 0.000 2.107 396 E HA -0.112 4.238 4.350 0.000 0.000 0.191 396 E C 1.496 178.161 176.600 0.109 0.000 0.982 396 E CA 1.173 57.630 56.400 0.096 0.000 0.809 396 E CB 0.197 29.904 29.700 0.012 0.000 0.756 396 E HN 0.178 nan 8.360 nan 0.000 0.459 397 T N 1.110 115.732 114.554 0.114 0.000 2.708 397 T HA -0.192 4.158 4.350 0.000 0.000 0.266 397 T C 1.302 176.131 174.700 0.215 0.000 1.037 397 T CA 1.264 63.422 62.100 0.098 0.000 1.146 397 T CB -0.544 68.347 68.868 0.040 0.000 0.865 397 T HN 0.448 nan 8.240 nan 0.000 0.435 398 W N 2.057 123.465 121.300 0.180 0.000 2.333 398 W HA -0.181 4.479 4.660 0.000 0.000 0.316 398 W C 2.006 178.778 176.519 0.420 0.000 1.215 398 W CA 1.543 59.070 57.345 0.303 0.000 1.278 398 W CB -0.298 29.401 29.460 0.398 0.000 1.154 398 W HN 0.231 nan 8.180 nan 0.000 0.486 399 E N 0.087 120.477 120.200 0.316 0.000 2.058 399 E HA -0.194 4.156 4.350 0.000 0.000 0.194 399 E C 2.219 178.605 176.600 -0.357 0.000 0.997 399 E CA 2.951 59.351 56.400 -0.001 0.000 0.801 399 E CB -0.805 28.980 29.700 0.141 0.000 0.746 399 E HN 0.091 nan 8.360 nan 0.000 0.450 400 T N 0.427 114.892 114.554 -0.148 0.000 2.746 400 T HA -0.175 4.175 4.350 0.000 0.000 0.267 400 T C 1.328 175.918 174.700 -0.184 0.000 1.039 400 T CA 1.244 63.247 62.100 -0.162 0.000 1.142 400 T CB -0.373 68.458 68.868 -0.061 0.000 0.866 400 T HN 0.402 nan 8.240 nan 0.000 0.444 401 W N 1.764 122.887 121.300 -0.296 0.000 2.381 401 W HA -0.123 4.537 4.660 0.001 0.000 0.323 401 W C 2.428 178.739 176.519 -0.347 0.000 1.194 401 W CA 1.317 58.471 57.345 -0.317 0.000 1.296 401 W CB -0.758 28.514 29.460 -0.313 0.000 1.175 401 W HN 0.461 nan 8.180 nan 0.000 0.465 402 W N 3.026 123.915 121.300 -0.685 0.000 2.321 402 W HA -0.272 4.388 4.660 0.000 0.000 0.306 402 W C 2.003 178.251 176.519 -0.451 0.000 1.217 402 W CA 2.725 59.647 57.345 -0.705 0.000 1.257 402 W CB -1.574 27.395 29.460 -0.818 0.000 1.145 402 W HN -0.000 nan 8.180 nan 0.000 0.509 403 T N -0.709 113.118 114.554 -1.211 0.000 2.788 403 T HA -0.211 4.139 4.350 0.000 0.000 0.268 403 T C 1.526 175.910 174.700 -0.526 0.000 1.044 403 T CA 1.843 63.294 62.100 -1.082 0.000 1.139 403 T CB -0.703 67.509 68.868 -1.094 0.000 0.867 403 T HN 0.344 nan 8.240 nan 0.000 0.454 404 E N -0.462 119.456 120.200 -0.471 0.000 2.299 404 E HA 0.117 4.467 4.350 0.000 0.000 0.193 404 E C -0.086 176.328 176.600 -0.310 0.000 0.998 404 E CA -0.141 56.064 56.400 -0.325 0.000 0.851 404 E CB 0.041 29.577 29.700 -0.273 0.000 0.795 404 E HN 0.525 nan 8.360 nan 0.000 0.492 405 Y N 1.452 121.332 120.300 -0.700 0.000 2.346 405 Y HA -0.095 4.456 4.550 0.001 0.000 0.330 405 Y C 0.966 176.584 175.900 -0.471 0.000 1.178 405 Y CA -1.193 56.414 58.100 -0.821 0.000 1.331 405 Y CB 0.362 37.979 38.460 -1.405 0.000 1.253 405 Y HN 0.115 nan 8.280 nan 0.000 0.529 406 W N 2.969 123.873 121.300 -0.660 0.000 2.425 406 W HA -0.053 4.607 4.660 0.000 0.000 0.277 406 W C -0.087 176.155 176.519 -0.461 0.000 1.231 406 W CA 0.227 57.279 57.345 -0.488 0.000 1.248 406 W CB -0.473 28.740 29.460 -0.412 0.000 1.117 406 W HN 0.513 nan 8.180 nan 0.000 0.568 407 Q N 1.408 120.469 119.800 -1.232 0.000 2.293 407 Q HA 0.458 4.798 4.340 0.000 0.000 0.251 407 Q C -0.220 175.631 176.000 -0.249 0.000 0.930 407 Q CA -0.312 55.072 55.803 -0.698 0.000 0.893 407 Q CB 1.390 29.481 28.738 -1.079 0.000 1.215 407 Q HN 0.074 nan 8.270 nan 0.000 0.425 408 A N 2.697 125.481 122.820 -0.059 0.000 2.396 408 A HA 0.388 4.708 4.320 0.000 0.000 0.279 408 A C -0.485 177.131 177.584 0.054 0.000 1.165 408 A CA -0.178 51.872 52.037 0.022 0.000 0.824 408 A CB 0.019 19.041 19.000 0.038 0.000 1.100 408 A HN 0.686 nan 8.150 nan 0.000 0.516 409 T N 0.773 115.379 114.554 0.086 0.000 2.840 409 T HA 0.582 4.933 4.350 0.000 0.000 0.287 409 T C -0.839 173.978 174.700 0.194 0.000 0.991 409 T CA -0.445 61.740 62.100 0.141 0.000 0.964 409 T CB 1.052 70.017 68.868 0.161 0.000 0.954 409 T HN 0.925 nan 8.240 nan 0.000 0.438 410 W N 7.128 128.435 121.300 0.013 0.000 2.830 410 W HA 0.578 5.239 4.660 0.001 0.000 0.335 410 W C -1.863 174.639 176.519 -0.027 0.000 1.043 410 W CA -1.575 55.755 57.345 -0.025 0.000 1.239 410 W CB 1.220 30.625 29.460 -0.091 0.000 1.378 410 W HN 0.919 nan 8.180 nan 0.000 0.456 411 I N 5.494 125.578 120.570 -0.809 0.000 2.441 411 I HA 0.640 4.811 4.170 0.000 0.000 0.295 411 I C -1.982 173.354 176.117 -1.301 0.000 0.994 411 I CA -2.646 58.044 61.300 -1.016 0.000 1.144 411 I CB 1.864 39.240 38.000 -1.040 0.000 1.314 411 I HN 0.111 nan 8.210 nan 0.000 0.445 412 P HA 0.002 nan 4.420 nan 0.000 0.275 412 P C -0.341 176.854 177.300 -0.175 0.000 1.270 412 P CA -0.224 62.594 63.100 -0.469 0.000 0.791 412 P CB 0.382 32.017 31.700 -0.108 0.000 1.089 413 E N 0.584 120.762 120.200 -0.035 0.000 3.197 413 E HA -0.101 4.249 4.350 0.000 0.000 0.251 413 E C -0.559 176.121 176.600 0.132 0.000 0.912 413 E CA 0.457 56.867 56.400 0.017 0.000 0.960 413 E CB -0.092 29.616 29.700 0.013 0.000 0.897 413 E HN 0.333 nan 8.360 nan 0.000 0.550 414 W N 3.204 124.431 121.300 -0.123 0.000 3.062 414 W HA 0.647 5.307 4.660 0.000 0.000 0.336 414 W C -1.268 175.213 176.519 -0.064 0.000 1.224 414 W CA -0.989 56.299 57.345 -0.096 0.000 1.159 414 W CB 0.791 30.130 29.460 -0.203 0.000 1.454 414 W HN 0.350 nan 8.180 nan 0.000 0.569 415 E N 1.169 121.450 120.200 0.135 0.000 2.331 415 E HA 0.330 4.680 4.350 0.000 0.000 0.275 415 E C -1.666 175.105 176.600 0.286 0.000 0.895 415 E CA -0.994 55.400 56.400 -0.011 0.000 0.753 415 E CB 3.213 32.911 29.700 -0.003 0.000 1.216 415 E HN 0.283 nan 8.360 nan 0.000 0.434 416 F N 2.995 122.992 119.950 0.079 0.000 2.484 416 F HA 0.381 4.908 4.527 0.000 0.000 0.360 416 F C -0.873 175.006 175.800 0.132 0.000 1.101 416 F CA -0.265 57.859 58.000 0.206 0.000 1.251 416 F CB 0.780 39.871 39.000 0.151 0.000 1.132 416 F HN 0.160 nan 8.300 nan 0.000 0.570 417 V N 7.280 126.829 119.914 -0.609 0.000 2.531 417 V HA 0.303 4.423 4.120 0.000 0.000 0.301 417 V C -0.529 175.009 176.094 -0.926 0.000 1.034 417 V CA -0.848 61.081 62.300 -0.618 0.000 0.865 417 V CB 1.444 33.166 31.823 -0.169 0.000 0.995 417 V HN 0.838 nan 8.190 nan 0.000 0.424 418 N N 4.398 122.606 118.700 -0.820 0.000 3.178 418 N HA 0.092 4.833 4.740 0.000 0.000 0.300 418 N C 0.081 175.510 175.510 -0.134 0.000 1.242 418 N CA 0.168 52.968 53.050 -0.417 0.000 1.192 418 N CB 0.215 38.620 38.487 -0.137 0.000 1.463 418 N HN 0.854 nan 8.380 nan 0.000 0.539 419 T N -0.278 114.221 114.554 -0.091 0.000 3.149 419 T HA 0.447 4.797 4.350 0.000 0.000 0.373 419 T C -2.643 172.073 174.700 0.026 0.000 1.364 419 T CA -1.997 60.088 62.100 -0.025 0.000 1.110 419 T CB 1.179 70.033 68.868 -0.022 0.000 1.127 419 T HN 0.064 nan 8.240 nan 0.000 0.576 420 P HA 0.263 nan 4.420 nan 0.000 0.269 420 P C -2.029 175.291 177.300 0.032 0.000 1.215 420 P CA -1.091 62.042 63.100 0.055 0.000 0.780 420 P CB -0.224 31.509 31.700 0.054 0.000 0.898 421 P HA 0.166 nan 4.420 nan 0.000 0.271 421 P C -0.887 176.467 177.300 0.090 0.000 1.216 421 P CA -0.053 63.084 63.100 0.062 0.000 0.771 421 P CB 0.460 32.187 31.700 0.046 0.000 0.864 422 L N 3.093 124.380 121.223 0.107 0.000 2.357 422 L HA 0.212 4.553 4.340 0.000 0.000 0.273 422 L C 0.142 177.063 176.870 0.086 0.000 1.080 422 L CA -0.596 54.321 54.840 0.128 0.000 0.803 422 L CB 1.460 43.600 42.059 0.136 0.000 1.174 422 L HN 0.158 nan 8.230 nan 0.000 0.443 423 V N 3.940 123.914 119.914 0.101 0.000 2.427 423 V HA 0.345 4.465 4.120 0.000 0.000 0.268 423 V C 0.089 176.133 176.094 -0.084 0.000 1.046 423 V CA -0.430 61.901 62.300 0.052 0.000 0.970 423 V CB 0.233 32.108 31.823 0.087 0.000 1.001 423 V HN 0.828 nan 8.190 nan 0.000 0.476 424 K N 4.677 124.934 120.400 -0.238 0.000 2.512 424 K HA 0.719 5.040 4.320 0.000 0.000 0.263 424 K C -1.516 174.767 176.600 -0.529 0.000 0.966 424 K CA -1.087 54.955 56.287 -0.409 0.000 0.851 424 K CB 2.130 34.280 32.500 -0.583 0.000 1.395 424 K HN 0.338 nan 8.250 nan 0.000 0.440 425 L N 2.444 123.414 121.223 -0.421 0.000 2.283 425 L HA 0.248 4.588 4.340 0.000 0.000 0.287 425 L C 0.208 176.869 176.870 -0.348 0.000 1.073 425 L CA -0.627 54.009 54.840 -0.340 0.000 0.822 425 L CB 0.225 42.163 42.059 -0.201 0.000 1.186 425 L HN 0.716 nan 8.230 nan 0.000 0.436 426 W N 3.225 124.467 121.300 -0.097 0.000 2.465 426 W HA -0.088 4.572 4.660 0.000 0.000 0.268 426 W C 0.259 176.861 176.519 0.139 0.000 1.242 426 W CA 0.179 57.540 57.345 0.028 0.000 1.248 426 W CB -0.077 29.436 29.460 0.089 0.000 1.118 426 W HN 0.493 nan 8.180 nan 0.000 0.587 427 Y N -2.489 117.915 120.300 0.173 0.000 2.624 427 Y HA 0.607 5.157 4.550 0.000 0.000 0.334 427 Y C -1.161 174.790 175.900 0.085 0.000 1.155 427 Y CA -2.227 55.943 58.100 0.117 0.000 1.046 427 Y CB 0.727 39.256 38.460 0.115 0.000 1.316 427 Y HN -0.252 nan 8.280 nan 0.000 0.457 428 Q N 2.054 121.963 119.800 0.182 0.000 2.323 428 Q HA 0.616 4.956 4.340 0.000 0.000 0.271 428 Q C -1.834 174.280 176.000 0.191 0.000 1.048 428 Q CA -0.540 55.326 55.803 0.106 0.000 0.792 428 Q CB 2.052 30.824 28.738 0.057 0.000 1.280 428 Q HN 0.846 nan 8.270 nan 0.000 0.441 429 L N 2.777 124.110 121.223 0.182 0.000 2.395 429 L HA 0.367 4.707 4.340 0.000 0.000 0.269 429 L C 0.395 177.357 176.870 0.153 0.000 1.133 429 L CA -0.844 54.102 54.840 0.178 0.000 0.812 429 L CB 0.795 42.948 42.059 0.158 0.000 1.125 429 L HN 0.531 nan 8.230 nan 0.000 0.452 430 E N 1.898 122.214 120.200 0.192 0.000 2.392 430 E HA -0.014 4.336 4.350 0.000 0.000 0.264 430 E C 0.347 177.120 176.600 0.288 0.000 1.024 430 E CA 0.060 56.590 56.400 0.216 0.000 0.903 430 E CB 0.896 30.727 29.700 0.219 0.000 0.963 430 E HN 0.364 nan 8.360 nan 0.000 0.432 431 K N 1.009 121.507 120.400 0.163 0.000 2.167 431 K HA -0.010 4.311 4.320 0.000 0.000 0.203 431 K C 0.412 177.092 176.600 0.135 0.000 1.052 431 K CA 0.978 57.351 56.287 0.143 0.000 0.956 431 K CB 0.391 32.923 32.500 0.054 0.000 0.735 431 K HN 0.344 nan 8.250 nan 0.000 0.451 432 E N -0.661 119.492 120.200 -0.078 0.000 2.392 432 E HA 0.338 4.689 4.350 0.000 0.000 0.269 432 E C -2.690 173.354 176.600 -0.925 0.000 0.924 432 E CA -2.527 53.635 56.400 -0.395 0.000 0.784 432 E CB 1.219 30.799 29.700 -0.200 0.000 1.292 432 E HN -0.235 nan 8.360 nan 0.000 0.447 433 P HA 0.170 nan 4.420 nan 0.000 0.269 433 P C -0.349 176.758 177.300 -0.323 0.000 1.215 433 P CA 0.068 62.687 63.100 -0.802 0.000 0.780 433 P CB 0.356 31.800 31.700 -0.427 0.000 0.898 434 I N 0.818 121.297 120.570 -0.152 0.000 2.353 434 I HA 0.228 4.398 4.170 0.000 0.000 0.293 434 I C 0.042 176.136 176.117 -0.038 0.000 0.992 434 I CA -0.972 60.291 61.300 -0.061 0.000 1.268 434 I CB 1.062 39.061 38.000 -0.001 0.000 1.387 434 I HN -0.026 nan 8.210 nan 0.000 0.478 435 V N 4.986 124.880 119.914 -0.033 0.000 2.546 435 V HA 0.462 4.583 4.120 0.000 0.000 0.284 435 V C 1.089 177.180 176.094 -0.005 0.000 1.050 435 V CA 0.067 62.355 62.300 -0.019 0.000 0.981 435 V CB 0.786 32.596 31.823 -0.021 0.000 0.990 435 V HN 1.134 nan 8.190 nan 0.000 0.474 436 G N 3.244 112.045 108.800 0.002 0.000 2.160 436 G HA2 0.050 4.011 3.960 0.000 0.000 0.244 436 G HA3 0.050 4.011 3.960 0.000 0.000 0.244 436 G C 0.077 174.987 174.900 0.017 0.000 1.022 436 G CA 0.192 45.297 45.100 0.008 0.000 0.741 436 G HN 1.593 nan 8.290 nan 0.000 0.508 437 A N -0.526 122.307 122.820 0.023 0.000 2.371 437 A HA 0.784 5.104 4.320 0.000 0.000 0.311 437 A C -0.009 177.607 177.584 0.054 0.000 1.068 437 A CA -0.106 51.956 52.037 0.041 0.000 0.744 437 A CB 1.208 20.234 19.000 0.043 0.000 1.239 437 A HN 0.547 nan 8.150 nan 0.000 0.435 438 E N 1.348 121.596 120.200 0.080 0.000 2.324 438 E HA 0.261 4.611 4.350 0.000 0.000 0.271 438 E C -0.612 176.068 176.600 0.133 0.000 1.028 438 E CA 0.106 56.549 56.400 0.072 0.000 0.890 438 E CB 0.465 30.209 29.700 0.073 0.000 1.004 438 E HN 0.543 nan 8.360 nan 0.000 0.431 439 T N 5.491 120.076 114.554 0.051 0.000 2.738 439 T HA 0.243 4.593 4.350 0.000 0.000 0.298 439 T C -0.634 174.072 174.700 0.010 0.000 0.962 439 T CA -0.328 61.794 62.100 0.035 0.000 0.972 439 T CB -0.137 68.722 68.868 -0.015 0.000 0.928 439 T HN 0.231 nan 8.240 nan 0.000 0.474 440 F N 3.015 122.883 119.950 -0.137 0.000 2.371 440 F HA 0.355 4.882 4.527 0.000 0.000 0.363 440 F C 0.080 175.818 175.800 -0.103 0.000 1.122 440 F CA -1.279 56.663 58.000 -0.097 0.000 1.129 440 F CB 0.389 39.263 39.000 -0.210 0.000 1.173 440 F HN 0.525 nan 8.300 nan 0.000 0.489 441 Y N 3.381 123.768 120.300 0.145 0.000 2.452 441 Y HA 0.439 4.989 4.550 0.000 0.000 0.348 441 Y C 0.294 176.283 175.900 0.147 0.000 0.985 441 Y CA -0.785 57.375 58.100 0.100 0.000 1.214 441 Y CB 0.765 39.250 38.460 0.042 0.000 1.136 441 Y HN 0.382 nan 8.280 nan 0.000 0.523 442 V N 0.206 120.253 119.914 0.222 0.000 2.732 442 V HA 0.820 4.941 4.120 0.000 0.000 0.310 442 V C -0.898 175.278 176.094 0.136 0.000 1.053 442 V CA -0.556 61.867 62.300 0.203 0.000 0.957 442 V CB 2.132 34.060 31.823 0.175 0.000 1.018 442 V HN 0.639 nan 8.190 nan 0.000 0.452 443 D N 0.733 121.206 120.400 0.122 0.000 2.654 443 D HA 0.752 5.392 4.640 0.000 0.000 0.231 443 D C -0.564 175.784 176.300 0.081 0.000 1.239 443 D CA 0.442 54.489 54.000 0.079 0.000 0.790 443 D CB 2.237 43.063 40.800 0.043 0.000 1.480 443 D HN 1.210 nan 8.370 nan 0.000 0.442 444 G N -0.021 108.823 108.800 0.073 0.000 2.731 444 G HA2 0.754 4.714 3.960 0.000 0.000 0.298 444 G HA3 0.754 4.714 3.960 0.000 0.000 0.298 444 G C -1.627 173.312 174.900 0.065 0.000 1.424 444 G CA -0.350 44.794 45.100 0.073 0.000 1.029 444 G HN 0.584 nan 8.290 nan 0.000 0.518 445 A N 0.535 123.389 122.820 0.057 0.000 2.429 445 A HA 0.920 5.240 4.320 0.000 0.000 0.289 445 A C -0.286 177.325 177.584 0.044 0.000 1.043 445 A CA 0.003 52.073 52.037 0.055 0.000 0.722 445 A CB 1.427 20.463 19.000 0.061 0.000 1.243 445 A HN 2.148 nan 8.150 nan 0.000 0.415 446 A N 2.421 125.264 122.820 0.039 0.000 2.342 446 A HA 0.683 5.003 4.320 0.000 0.000 0.323 446 A C -0.150 177.448 177.584 0.024 0.000 1.125 446 A CA -0.728 51.326 52.037 0.030 0.000 0.785 446 A CB 0.728 19.744 19.000 0.027 0.000 1.221 446 A HN 0.807 nan 8.150 nan 0.000 0.463 447 N N 1.435 120.146 118.700 0.020 0.000 2.416 447 N HA 0.012 4.752 4.740 0.000 0.000 0.265 447 N C 0.908 176.425 175.510 0.012 0.000 1.195 447 N CA -0.017 53.042 53.050 0.015 0.000 0.943 447 N CB 0.714 39.208 38.487 0.013 0.000 1.115 447 N HN 0.686 nan 8.380 nan 0.000 0.481 448 R N 2.869 123.375 120.500 0.010 0.000 2.211 448 R HA -0.161 4.179 4.340 0.000 0.000 0.240 448 R C 0.851 177.154 176.300 0.005 0.000 1.144 448 R CA 1.777 57.881 56.100 0.007 0.000 0.992 448 R CB 0.294 30.597 30.300 0.005 0.000 0.869 448 R HN 0.629 nan 8.270 nan 0.000 0.462 449 E N -2.101 118.102 120.200 0.005 0.000 2.094 449 E HA -0.013 4.337 4.350 0.000 0.000 0.193 449 E C 1.785 178.389 176.600 0.006 0.000 0.950 449 E CA 1.548 57.951 56.400 0.005 0.000 0.842 449 E CB -0.158 29.545 29.700 0.004 0.000 0.816 449 E HN 0.389 nan 8.360 nan 0.000 0.465 450 T N -1.294 113.264 114.554 0.007 0.000 3.072 450 T HA 0.000 4.351 4.350 0.000 0.000 0.266 450 T C 0.741 175.447 174.700 0.009 0.000 1.127 450 T CA 0.820 62.925 62.100 0.007 0.000 1.107 450 T CB -0.133 68.739 68.868 0.007 0.000 0.910 450 T HN 0.021 nan 8.240 nan 0.000 0.513 451 K N -0.833 119.573 120.400 0.010 0.000 3.495 451 K HA -0.122 4.198 4.320 0.000 0.000 0.315 451 K C -0.076 176.532 176.600 0.014 0.000 1.301 451 K CA 0.661 56.954 56.287 0.011 0.000 0.985 451 K CB -2.368 30.139 32.500 0.010 0.000 1.244 451 K HN 0.521 nan 8.250 nan 0.000 0.433 452 L N 0.281 121.513 121.223 0.014 0.000 2.416 452 L HA 0.333 4.673 4.340 0.000 0.000 0.272 452 L C 1.078 177.960 176.870 0.020 0.000 1.161 452 L CA 0.507 55.356 54.840 0.016 0.000 0.845 452 L CB 0.866 42.933 42.059 0.014 0.000 1.119 452 L HN 0.250 nan 8.230 nan 0.000 0.464 453 G N 2.864 111.678 108.800 0.024 0.000 2.498 453 G HA2 0.602 4.562 3.960 0.000 0.000 0.312 453 G HA3 0.602 4.562 3.960 0.000 0.000 0.312 453 G C -1.244 173.674 174.900 0.030 0.000 1.230 453 G CA -0.530 44.588 45.100 0.030 0.000 0.968 453 G HN 0.362 nan 8.290 nan 0.000 0.481 454 K N 0.400 120.820 120.400 0.034 0.000 2.613 454 K HA 0.566 4.887 4.320 0.000 0.000 0.248 454 K C -0.922 175.702 176.600 0.041 0.000 0.959 454 K CA -0.529 55.776 56.287 0.030 0.000 0.855 454 K CB 2.124 34.637 32.500 0.021 0.000 1.143 454 K HN 0.643 nan 8.250 nan 0.000 0.437 455 A N 1.942 124.790 122.820 0.047 0.000 2.318 455 A HA 0.903 5.223 4.320 0.000 0.000 0.324 455 A C -0.041 177.573 177.584 0.051 0.000 1.170 455 A CA -0.401 51.676 52.037 0.066 0.000 0.810 455 A CB 1.437 20.490 19.000 0.089 0.000 1.198 455 A HN 0.750 nan 8.150 nan 0.000 0.484 456 G N -0.060 108.780 108.800 0.067 0.000 2.606 456 G HA2 0.682 4.642 3.960 0.000 0.000 0.300 456 G HA3 0.682 4.642 3.960 0.000 0.000 0.300 456 G C -1.422 173.564 174.900 0.143 0.000 1.360 456 G CA -0.109 45.005 45.100 0.022 0.000 0.783 456 G HN 1.702 nan 8.290 nan 0.000 0.484 457 Y N -2.443 117.917 120.300 0.101 0.000 2.597 457 Y HA 0.821 5.371 4.550 0.000 0.000 0.340 457 Y C -1.315 174.628 175.900 0.072 0.000 1.097 457 Y CA -1.713 56.468 58.100 0.135 0.000 1.037 457 Y CB 1.556 40.180 38.460 0.273 0.000 1.305 457 Y HN 0.571 nan 8.280 nan 0.000 0.463 458 V N 2.046 122.162 119.914 0.336 0.000 2.686 458 V HA 0.701 4.821 4.120 0.000 0.000 0.306 458 V C -0.369 175.824 176.094 0.166 0.000 1.065 458 V CA -0.100 62.304 62.300 0.174 0.000 0.894 458 V CB 1.962 33.822 31.823 0.060 0.000 1.004 458 V HN 1.143 nan 8.190 nan 0.000 0.424 459 T N -0.036 114.531 114.554 0.022 0.000 2.942 459 T HA 0.330 4.680 4.350 0.000 0.000 0.289 459 T C 0.952 175.641 174.700 -0.018 0.000 1.044 459 T CA -0.394 61.646 62.100 -0.100 0.000 1.023 459 T CB 1.632 70.210 68.868 -0.483 0.000 1.123 459 T HN 0.659 nan 8.240 nan 0.000 0.512 460 N N 0.898 119.604 118.700 0.011 0.000 2.396 460 N HA -0.085 4.655 4.740 0.000 0.000 0.180 460 N C 1.302 176.802 175.510 -0.017 0.000 1.028 460 N CA 0.469 53.535 53.050 0.028 0.000 0.893 460 N CB -0.328 38.199 38.487 0.066 0.000 0.967 460 N HN 0.469 nan 8.380 nan 0.000 0.440 461 R N -0.372 120.094 120.500 -0.056 0.000 2.310 461 R HA 0.196 4.537 4.340 0.000 0.000 0.202 461 R C 1.174 177.445 176.300 -0.048 0.000 0.933 461 R CA 0.634 56.702 56.100 -0.054 0.000 1.054 461 R CB -0.397 29.857 30.300 -0.076 0.000 0.985 461 R HN 0.496 nan 8.270 nan 0.000 0.489 462 G N -0.073 108.698 108.800 -0.047 0.000 2.241 462 G HA2 -0.328 3.632 3.960 0.000 0.000 0.244 462 G HA3 -0.328 3.632 3.960 0.000 0.000 0.244 462 G C 0.174 175.059 174.900 -0.026 0.000 0.998 462 G CA -0.051 45.029 45.100 -0.033 0.000 0.621 462 G HN 0.304 nan 8.290 nan 0.000 0.519 463 R N 0.760 121.241 120.500 -0.032 0.000 2.679 463 R HA 0.431 4.771 4.340 0.000 0.000 0.268 463 R C 0.136 176.472 176.300 0.060 0.000 1.044 463 R CA 0.669 56.784 56.100 0.026 0.000 1.105 463 R CB 0.210 30.545 30.300 0.058 0.000 0.989 463 R HN 0.535 nan 8.270 nan 0.000 0.447 464 Q N 1.478 121.277 119.800 -0.002 0.000 2.309 464 Q HA 0.391 4.732 4.340 0.000 0.000 0.273 464 Q C -1.385 174.420 176.000 -0.323 0.000 1.040 464 Q CA -0.781 54.931 55.803 -0.151 0.000 0.834 464 Q CB 3.177 31.859 28.738 -0.093 0.000 1.345 464 Q HN 0.364 nan 8.270 nan 0.000 0.414 465 K N 1.078 121.101 120.400 -0.628 0.000 2.543 465 K HA 0.621 4.941 4.320 0.000 0.000 0.255 465 K C -1.928 174.436 176.600 -0.392 0.000 0.934 465 K CA -0.504 55.465 56.287 -0.529 0.000 0.810 465 K CB 2.031 34.119 32.500 -0.688 0.000 1.315 465 K HN 0.384 nan 8.250 nan 0.000 0.433 466 V N 3.900 123.698 119.914 -0.193 0.000 2.623 466 V HA 0.533 4.654 4.120 0.000 0.000 0.304 466 V C -0.563 175.497 176.094 -0.056 0.000 1.054 466 V CA -0.923 61.315 62.300 -0.105 0.000 0.882 466 V CB 1.386 33.166 31.823 -0.070 0.000 1.002 466 V HN 0.589 nan 8.190 nan 0.000 0.424 467 V N 1.204 121.104 119.914 -0.023 0.000 2.815 467 V HA 0.841 4.961 4.120 0.000 0.000 0.314 467 V C -0.114 175.989 176.094 0.015 0.000 1.064 467 V CA -0.360 61.942 62.300 0.003 0.000 0.952 467 V CB 2.091 33.927 31.823 0.022 0.000 1.020 467 V HN 0.788 nan 8.190 nan 0.000 0.439 468 T N 4.974 119.538 114.554 0.017 0.000 2.829 468 T HA 0.774 5.124 4.350 0.000 0.000 0.282 468 T C -0.563 174.153 174.700 0.027 0.000 0.990 468 T CA -0.152 61.960 62.100 0.019 0.000 1.028 468 T CB 1.130 70.005 68.868 0.013 0.000 0.951 468 T HN 0.599 nan 8.240 nan 0.000 0.460 469 L N 2.869 124.110 121.223 0.029 0.000 2.362 469 L HA 0.600 4.941 4.340 0.000 0.000 0.271 469 L C 0.602 177.488 176.870 0.026 0.000 1.002 469 L CA -0.674 54.186 54.840 0.033 0.000 0.818 469 L CB 2.218 44.301 42.059 0.041 0.000 1.298 469 L HN 0.777 nan 8.230 nan 0.000 0.420 470 T N -1.892 112.677 114.554 0.025 0.000 2.771 470 T HA 0.460 4.810 4.350 0.000 0.000 0.281 470 T C -0.093 174.618 174.700 0.020 0.000 0.982 470 T CA -0.591 61.521 62.100 0.020 0.000 0.978 470 T CB 1.026 69.904 68.868 0.017 0.000 0.930 470 T HN 0.675 nan 8.240 nan 0.000 0.447 471 D N 1.808 122.218 120.400 0.017 0.000 2.812 471 D HA -0.163 4.477 4.640 0.000 0.000 0.237 471 D C -0.029 176.283 176.300 0.019 0.000 1.162 471 D CA 1.655 55.664 54.000 0.016 0.000 0.740 471 D CB -1.066 39.742 40.800 0.013 0.000 1.000 471 D HN 1.050 nan 8.370 nan 0.000 0.416 472 T N -1.384 113.182 114.554 0.021 0.000 2.906 472 T HA 0.772 5.123 4.350 0.000 0.000 0.295 472 T C 0.538 175.250 174.700 0.019 0.000 1.075 472 T CA -0.332 61.782 62.100 0.024 0.000 1.005 472 T CB 1.865 70.754 68.868 0.033 0.000 1.136 472 T HN 0.228 nan 8.240 nan 0.000 0.498 473 T N -0.256 114.307 114.554 0.016 0.000 2.849 473 T HA 0.384 4.734 4.350 0.000 0.000 0.276 473 T C 1.113 175.819 174.700 0.011 0.000 0.971 473 T CA -0.917 61.185 62.100 0.002 0.000 0.949 473 T CB 0.568 69.424 68.868 -0.020 0.000 1.093 473 T HN 0.567 nan 8.240 nan 0.000 0.545 474 N N 0.073 118.773 118.700 0.000 0.000 2.244 474 N HA -0.113 4.627 4.740 0.000 0.000 0.183 474 N C 1.993 177.515 175.510 0.020 0.000 1.016 474 N CA 0.902 53.963 53.050 0.018 0.000 0.866 474 N CB -0.082 38.416 38.487 0.018 0.000 0.980 474 N HN 0.609 nan 8.380 nan 0.000 0.430 475 Q N 1.046 120.815 119.800 -0.052 0.000 2.096 475 Q HA -0.102 4.238 4.340 0.000 0.000 0.204 475 Q C 1.762 177.833 176.000 0.118 0.000 0.982 475 Q CA 1.196 56.934 55.803 -0.109 0.000 0.850 475 Q CB -0.018 28.451 28.738 -0.448 0.000 0.901 475 Q HN 0.373 nan 8.270 nan 0.000 0.422 476 K N -0.076 120.371 120.400 0.078 0.000 2.031 476 K HA -0.098 4.222 4.320 0.000 0.000 0.205 476 K C 2.417 179.078 176.600 0.102 0.000 1.049 476 K CA 1.705 58.052 56.287 0.100 0.000 0.939 476 K CB -0.212 32.327 32.500 0.065 0.000 0.717 476 K HN 0.330 nan 8.250 nan 0.000 0.438 477 T N 0.062 114.667 114.554 0.085 0.000 2.746 477 T HA -0.127 4.224 4.350 0.000 0.000 0.267 477 T C 1.720 176.484 174.700 0.106 0.000 1.039 477 T CA 0.986 63.138 62.100 0.086 0.000 1.142 477 T CB -0.173 68.736 68.868 0.069 0.000 0.866 477 T HN 0.084 nan 8.240 nan 0.000 0.444 478 E N 0.725 120.998 120.200 0.122 0.000 2.204 478 E HA 0.002 4.353 4.350 0.000 0.000 0.195 478 E C 2.071 178.755 176.600 0.140 0.000 0.990 478 E CA 0.596 57.079 56.400 0.138 0.000 0.821 478 E CB -0.281 29.520 29.700 0.169 0.000 0.750 478 E HN 0.385 nan 8.360 nan 0.000 0.477 479 L N 0.542 121.854 121.223 0.148 0.000 2.162 479 L HA -0.092 4.248 4.340 0.000 0.000 0.205 479 L C 2.387 179.327 176.870 0.116 0.000 1.086 479 L CA 1.311 56.219 54.840 0.114 0.000 0.778 479 L CB -0.348 41.783 42.059 0.121 0.000 0.928 479 L HN -0.009 nan 8.230 nan 0.000 0.446 480 Q N -0.829 119.048 119.800 0.129 0.000 2.224 480 Q HA -0.073 4.267 4.340 0.000 0.000 0.203 480 Q C 2.146 178.254 176.000 0.180 0.000 0.970 480 Q CA 1.484 57.387 55.803 0.167 0.000 0.865 480 Q CB -0.118 28.701 28.738 0.136 0.000 0.922 480 Q HN 0.501 nan 8.270 nan 0.000 0.445 481 A N -0.100 122.808 122.820 0.147 0.000 1.898 481 A HA -0.127 4.193 4.320 0.000 0.000 0.216 481 A C 1.998 179.662 177.584 0.133 0.000 1.181 481 A CA 1.315 53.444 52.037 0.154 0.000 0.620 481 A CB -0.569 18.516 19.000 0.141 0.000 0.819 481 A HN 0.440 nan 8.150 nan 0.000 0.442 482 I N -2.008 118.621 120.570 0.098 0.000 2.315 482 I HA -0.219 3.951 4.170 0.000 0.000 0.248 482 I C 2.417 178.550 176.117 0.027 0.000 1.117 482 I CA 1.319 62.640 61.300 0.035 0.000 1.404 482 I CB -0.328 37.686 38.000 0.023 0.000 1.071 482 I HN 0.502 nan 8.210 nan 0.000 0.419 483 Y N 1.449 121.725 120.300 -0.040 0.000 2.181 483 Y HA -0.223 4.327 4.550 0.000 0.000 0.288 483 Y C 2.222 178.093 175.900 -0.048 0.000 1.146 483 Y CA 1.429 59.498 58.100 -0.052 0.000 1.164 483 Y CB -0.373 38.072 38.460 -0.024 0.000 0.982 483 Y HN 0.033 nan 8.280 nan 0.000 0.515 484 L N -0.565 120.611 121.223 -0.078 0.000 1.989 484 L HA -0.265 4.075 4.340 0.000 0.000 0.211 484 L C 2.762 179.530 176.870 -0.171 0.000 1.071 484 L CA 1.428 56.228 54.840 -0.066 0.000 0.749 484 L CB -1.031 41.154 42.059 0.209 0.000 0.890 484 L HN 0.319 nan 8.230 nan 0.000 0.431 485 A N -0.138 122.528 122.820 -0.258 0.000 1.917 485 A HA -0.217 4.104 4.320 0.000 0.000 0.219 485 A C 2.184 179.243 177.584 -0.875 0.000 1.182 485 A CA 1.704 53.248 52.037 -0.823 0.000 0.633 485 A CB -0.740 17.891 19.000 -0.615 0.000 0.819 485 A HN 0.410 nan 8.150 nan 0.000 0.448 486 L N -1.369 119.562 121.223 -0.487 0.000 2.156 486 L HA -0.165 4.175 4.340 0.000 0.000 0.208 486 L C 2.848 179.509 176.870 -0.349 0.000 1.095 486 L CA 1.230 55.844 54.840 -0.376 0.000 0.770 486 L CB -0.417 41.515 42.059 -0.212 0.000 0.914 486 L HN 0.466 nan 8.230 nan 0.000 0.439 487 Q N -0.176 119.379 119.800 -0.409 0.000 2.079 487 Q HA -0.176 4.164 4.340 0.000 0.000 0.200 487 Q C 0.925 176.798 176.000 -0.211 0.000 0.974 487 Q CA 1.324 56.913 55.803 -0.356 0.000 0.840 487 Q CB 0.168 28.603 28.738 -0.506 0.000 0.898 487 Q HN 0.449 nan 8.270 nan 0.000 0.430 488 D N -0.368 119.917 120.400 -0.191 0.000 2.328 488 D HA 0.077 4.718 4.640 0.000 0.000 0.221 488 D C 0.064 176.347 176.300 -0.027 0.000 1.072 488 D CA 0.188 54.165 54.000 -0.040 0.000 0.850 488 D CB 0.475 41.370 40.800 0.157 0.000 0.922 488 D HN -0.070 nan 8.370 nan 0.000 0.516 489 S N -0.910 114.665 115.700 -0.207 0.000 2.747 489 S HA 0.709 5.179 4.470 0.000 0.000 0.300 489 S C 0.457 175.016 174.600 -0.068 0.000 1.121 489 S CA -0.653 57.465 58.200 -0.136 0.000 0.995 489 S CB 1.372 64.302 63.200 -0.449 0.000 1.113 489 S HN 0.136 nan 8.310 nan 0.000 0.547 490 G N 0.290 109.080 108.800 -0.016 0.000 2.557 490 G HA2 0.439 4.400 3.960 0.000 0.000 0.302 490 G HA3 0.439 4.400 3.960 0.000 0.000 0.302 490 G C 0.802 175.687 174.900 -0.026 0.000 1.311 490 G CA -0.738 44.356 45.100 -0.010 0.000 1.030 490 G HN 0.725 nan 8.290 nan 0.000 0.509 491 L N -0.921 120.295 121.223 -0.012 0.000 2.137 491 L HA -0.084 4.257 4.340 0.000 0.000 0.213 491 L C 1.106 177.973 176.870 -0.005 0.000 1.085 491 L CA 1.367 56.202 54.840 -0.009 0.000 0.760 491 L CB -0.373 41.688 42.059 0.003 0.000 0.893 491 L HN 0.432 nan 8.230 nan 0.000 0.434 492 E N -0.473 119.729 120.200 0.005 0.000 2.171 492 E HA 0.551 4.902 4.350 0.000 0.000 0.271 492 E C -1.139 175.472 176.600 0.018 0.000 0.916 492 E CA -0.324 56.085 56.400 0.016 0.000 0.774 492 E CB 3.080 32.794 29.700 0.024 0.000 1.128 492 E HN -0.139 nan 8.360 nan 0.000 0.403 493 V N 3.372 123.296 119.914 0.017 0.000 2.969 493 V HA 0.337 4.458 4.120 0.000 0.000 0.304 493 V C -1.781 174.345 176.094 0.053 0.000 1.192 493 V CA -0.743 61.568 62.300 0.018 0.000 0.962 493 V CB 2.354 34.110 31.823 -0.112 0.000 1.045 493 V HN 0.656 nan 8.190 nan 0.000 0.428 494 N N 5.749 124.504 118.700 0.092 0.000 2.392 494 N HA 0.618 5.358 4.740 0.000 0.000 0.283 494 N C -1.182 174.351 175.510 0.039 0.000 1.003 494 N CA -0.168 52.949 53.050 0.111 0.000 0.892 494 N CB 2.240 40.803 38.487 0.126 0.000 1.193 494 N HN 0.580 nan 8.380 nan 0.000 0.487 495 I N 1.751 122.304 120.570 -0.029 0.000 2.418 495 I HA 0.313 4.484 4.170 0.000 0.000 0.287 495 I C -0.378 175.668 176.117 -0.117 0.000 1.008 495 I CA -0.947 60.310 61.300 -0.071 0.000 1.104 495 I CB 2.024 39.969 38.000 -0.091 0.000 1.264 495 I HN -0.002 nan 8.210 nan 0.000 0.438 496 V N 4.730 124.543 119.914 -0.169 0.000 2.370 496 V HA 0.518 4.638 4.120 0.000 0.000 0.283 496 V C 0.088 176.145 176.094 -0.063 0.000 1.023 496 V CA -0.327 61.863 62.300 -0.184 0.000 0.857 496 V CB 1.540 33.102 31.823 -0.435 0.000 0.985 496 V HN 0.802 nan 8.190 nan 0.000 0.443 497 T N 1.586 116.122 114.554 -0.029 0.000 2.916 497 T HA 0.471 4.822 4.350 0.000 0.000 0.292 497 T C 0.015 174.662 174.700 -0.088 0.000 1.064 497 T CA -0.352 61.756 62.100 0.013 0.000 1.011 497 T CB 1.799 70.718 68.868 0.084 0.000 1.152 497 T HN 0.879 nan 8.240 nan 0.000 0.510 498 D N 0.360 120.718 120.400 -0.069 0.000 2.431 498 D HA 0.229 4.869 4.640 0.000 0.000 0.213 498 D C 0.279 176.716 176.300 0.227 0.000 1.130 498 D CA -0.247 53.636 54.000 -0.194 0.000 0.834 498 D CB 0.297 40.970 40.800 -0.211 0.000 0.985 498 D HN 0.254 nan 8.370 nan 0.000 0.504 499 S N 0.318 116.214 115.700 0.327 0.000 2.422 499 S HA 0.136 4.607 4.470 0.000 0.000 0.308 499 S C 0.810 175.637 174.600 0.379 0.000 1.097 499 S CA -0.624 57.791 58.200 0.357 0.000 1.099 499 S CB 1.466 64.823 63.200 0.263 0.000 0.976 499 S HN 0.220 nan 8.310 nan 0.000 0.471 500 Q N 4.128 124.085 119.800 0.261 0.000 2.172 500 Q HA -0.125 4.215 4.340 0.000 0.000 0.200 500 Q C 1.351 177.382 176.000 0.052 0.000 0.964 500 Q CA 1.333 57.118 55.803 -0.030 0.000 0.855 500 Q CB -0.244 28.361 28.738 -0.221 0.000 0.918 500 Q HN 0.982 nan 8.270 nan 0.000 0.444 501 Y N 0.524 120.840 120.300 0.026 0.000 2.081 501 Y HA -0.293 4.257 4.550 0.000 0.000 0.280 501 Y C 2.026 177.956 175.900 0.050 0.000 1.163 501 Y CA 2.093 60.217 58.100 0.040 0.000 1.135 501 Y CB -0.704 37.791 38.460 0.058 0.000 0.970 501 Y HN 0.179 nan 8.280 nan 0.000 0.498 502 A N 0.301 123.094 122.820 -0.046 0.000 1.877 502 A HA -0.165 4.155 4.320 0.000 0.000 0.216 502 A C 2.281 179.812 177.584 -0.088 0.000 1.186 502 A CA 1.659 53.614 52.037 -0.137 0.000 0.620 502 A CB -1.344 17.683 19.000 0.045 0.000 0.822 502 A HN 0.612 nan 8.150 nan 0.000 0.443 503 L N 0.070 121.292 121.223 -0.001 0.000 1.971 503 L HA -0.108 4.232 4.340 0.000 0.000 0.215 503 L C 2.510 179.366 176.870 -0.023 0.000 1.072 503 L CA 2.531 57.371 54.840 0.000 0.000 0.758 503 L CB -0.997 41.070 42.059 0.014 0.000 0.889 503 L HN 0.338 nan 8.230 nan 0.000 0.433 504 G N -0.310 108.460 108.800 -0.050 0.000 2.476 504 G HA2 -0.311 3.650 3.960 0.000 0.000 0.218 504 G HA3 -0.311 3.650 3.960 0.000 0.000 0.218 504 G C 1.568 176.498 174.900 0.050 0.000 1.164 504 G CA 1.493 46.581 45.100 -0.020 0.000 0.768 504 G HN 0.510 nan 8.290 nan 0.000 0.560 505 I N 0.513 121.053 120.570 -0.051 0.000 2.113 505 I HA -0.159 4.011 4.170 0.000 0.000 0.238 505 I C 2.717 178.850 176.117 0.027 0.000 1.070 505 I CA 1.066 62.333 61.300 -0.054 0.000 1.332 505 I CB -0.297 37.499 38.000 -0.339 0.000 1.044 505 I HN 0.139 nan 8.210 nan 0.000 0.402 506 I N 0.117 120.687 120.570 0.001 0.000 2.208 506 I HA -0.314 3.856 4.170 0.000 0.000 0.245 506 I C 2.652 178.867 176.117 0.163 0.000 1.097 506 I CA 1.398 62.745 61.300 0.078 0.000 1.363 506 I CB -0.564 37.449 38.000 0.021 0.000 1.051 506 I HN 0.311 nan 8.210 nan 0.000 0.413 507 Q N 0.622 120.501 119.800 0.132 0.000 2.152 507 Q HA -0.212 4.128 4.340 0.000 0.000 0.206 507 Q C 2.289 178.437 176.000 0.248 0.000 0.985 507 Q CA 1.752 57.653 55.803 0.164 0.000 0.863 507 Q CB -0.308 28.507 28.738 0.128 0.000 0.904 507 Q HN 0.618 nan 8.270 nan 0.000 0.422 508 A N 0.512 123.524 122.820 0.319 0.000 2.239 508 A HA -0.116 4.204 4.320 0.000 0.000 0.209 508 A C 0.352 178.124 177.584 0.314 0.000 1.171 508 A CA 0.299 52.589 52.037 0.420 0.000 0.768 508 A CB -0.208 19.086 19.000 0.489 0.000 0.790 508 A HN 0.452 nan 8.150 nan 0.000 0.478 509 Q N -1.437 118.490 119.800 0.211 0.000 2.452 509 Q HA -0.131 4.209 4.340 0.000 0.000 0.318 509 Q C -2.327 173.675 176.000 0.004 0.000 1.386 509 Q CA 0.411 56.212 55.803 -0.003 0.000 0.872 509 Q CB -1.703 26.950 28.738 -0.141 0.000 1.151 509 Q HN 0.586 nan 8.270 nan 0.000 0.417 510 P HA 0.003 nan 4.420 nan 0.000 0.274 510 P C -0.103 177.322 177.300 0.207 0.000 1.231 510 P CA 0.350 63.542 63.100 0.152 0.000 0.790 510 P CB 0.762 32.564 31.700 0.170 0.000 0.951 511 D N -0.972 119.518 120.400 0.152 0.000 2.500 511 D HA 0.090 4.730 4.640 0.000 0.000 0.217 511 D C 0.275 176.616 176.300 0.068 0.000 1.159 511 D CA 0.176 54.268 54.000 0.154 0.000 0.828 511 D CB 0.394 41.329 40.800 0.224 0.000 1.039 511 D HN 0.366 nan 8.370 nan 0.000 0.512 512 Q N -0.053 119.797 119.800 0.084 0.000 2.340 512 Q HA 0.576 4.916 4.340 0.000 0.000 0.276 512 Q C -1.854 174.209 176.000 0.106 0.000 1.048 512 Q CA -0.646 55.196 55.803 0.066 0.000 0.832 512 Q CB 2.236 31.012 28.738 0.063 0.000 1.373 512 Q HN 0.038 nan 8.270 nan 0.000 0.409 513 S N 1.540 117.298 115.700 0.097 0.000 2.570 513 S HA 0.272 4.742 4.470 0.000 0.000 0.270 513 S C -0.301 174.364 174.600 0.109 0.000 1.149 513 S CA -0.376 57.924 58.200 0.167 0.000 0.837 513 S CB 1.804 65.142 63.200 0.230 0.000 1.124 513 S HN 0.770 nan 8.310 nan 0.000 0.465 514 E N 0.860 121.131 120.200 0.117 0.000 2.112 514 E HA 0.048 4.399 4.350 0.000 0.000 0.190 514 E C 0.423 177.066 176.600 0.072 0.000 0.979 514 E CA 0.478 56.916 56.400 0.064 0.000 0.814 514 E CB 0.075 29.795 29.700 0.033 0.000 0.762 514 E HN 0.428 nan 8.360 nan 0.000 0.460 515 S N 0.285 116.058 115.700 0.121 0.000 2.548 515 S HA -0.013 4.457 4.470 0.000 0.000 0.277 515 S C 0.917 175.531 174.600 0.023 0.000 1.315 515 S CA -0.391 57.860 58.200 0.086 0.000 1.050 515 S CB 1.251 64.530 63.200 0.132 0.000 0.918 515 S HN 0.133 nan 8.310 nan 0.000 0.497 516 E N 4.019 124.213 120.200 -0.010 0.000 2.047 516 E HA -0.070 4.281 4.350 0.000 0.000 0.191 516 E C 1.816 178.345 176.600 -0.118 0.000 0.987 516 E CA 1.412 57.779 56.400 -0.055 0.000 0.799 516 E CB -0.396 29.274 29.700 -0.050 0.000 0.752 516 E HN 0.797 nan 8.360 nan 0.000 0.449 517 L N -0.181 120.970 121.223 -0.120 0.000 2.013 517 L HA -0.245 4.095 4.340 0.000 0.000 0.212 517 L C 2.348 179.093 176.870 -0.207 0.000 1.073 517 L CA 1.511 56.233 54.840 -0.196 0.000 0.753 517 L CB -0.328 41.676 42.059 -0.091 0.000 0.890 517 L HN 0.165 nan 8.230 nan 0.000 0.432 518 V N -0.262 119.577 119.914 -0.124 0.000 2.343 518 V HA -0.294 3.826 4.120 0.000 0.000 0.247 518 V C 2.134 178.159 176.094 -0.114 0.000 1.051 518 V CA 1.975 64.193 62.300 -0.136 0.000 1.036 518 V CB -0.797 30.917 31.823 -0.181 0.000 0.654 518 V HN 0.520 nan 8.190 nan 0.000 0.451 519 N N -0.110 118.535 118.700 -0.092 0.000 2.244 519 N HA -0.160 4.581 4.740 0.000 0.000 0.183 519 N C 1.965 177.400 175.510 -0.124 0.000 1.016 519 N CA 1.197 54.198 53.050 -0.082 0.000 0.866 519 N CB -0.135 38.317 38.487 -0.059 0.000 0.980 519 N HN 0.619 nan 8.380 nan 0.000 0.430 520 Q N 0.524 120.195 119.800 -0.215 0.000 2.079 520 Q HA 0.025 4.365 4.340 0.000 0.000 0.200 520 Q C 2.138 178.021 176.000 -0.195 0.000 0.974 520 Q CA 0.815 56.431 55.803 -0.311 0.000 0.840 520 Q CB 0.032 28.319 28.738 -0.752 0.000 0.898 520 Q HN 0.352 nan 8.270 nan 0.000 0.430 521 I N 0.407 120.859 120.570 -0.197 0.000 2.179 521 I HA -0.296 3.875 4.170 0.000 0.000 0.242 521 I C 2.109 178.168 176.117 -0.097 0.000 1.088 521 I CA 1.087 62.359 61.300 -0.046 0.000 1.357 521 I CB -0.186 37.773 38.000 -0.068 0.000 1.051 521 I HN 0.187 nan 8.210 nan 0.000 0.409 522 I N 0.481 120.985 120.570 -0.110 0.000 2.127 522 I HA -0.342 3.828 4.170 0.000 0.000 0.241 522 I C 2.602 178.649 176.117 -0.116 0.000 1.075 522 I CA 1.628 62.863 61.300 -0.109 0.000 1.334 522 I CB -0.426 37.573 38.000 -0.003 0.000 1.040 522 I HN 0.258 nan 8.210 nan 0.000 0.405 523 E N 0.258 120.412 120.200 -0.076 0.000 2.130 523 E HA -0.284 4.066 4.350 0.000 0.000 0.196 523 E C 2.238 178.811 176.600 -0.045 0.000 0.998 523 E CA 1.265 57.631 56.400 -0.058 0.000 0.806 523 E CB 0.115 29.792 29.700 -0.038 0.000 0.738 523 E HN 0.427 nan 8.360 nan 0.000 0.459 524 Q N -0.070 119.711 119.800 -0.031 0.000 2.083 524 Q HA -0.083 4.258 4.340 0.000 0.000 0.198 524 Q C 2.439 178.366 176.000 -0.121 0.000 0.969 524 Q CA 0.745 56.523 55.803 -0.042 0.000 0.838 524 Q CB -0.161 28.583 28.738 0.011 0.000 0.900 524 Q HN 0.380 nan 8.270 nan 0.000 0.436 525 L N 0.085 121.168 121.223 -0.233 0.000 2.083 525 L HA -0.170 4.170 4.340 0.000 0.000 0.209 525 L C 2.292 179.004 176.870 -0.262 0.000 1.083 525 L CA 0.821 55.415 54.840 -0.411 0.000 0.752 525 L CB -0.339 41.130 42.059 -0.983 0.000 0.899 525 L HN 0.154 nan 8.230 nan 0.000 0.433 526 I N -0.637 119.860 120.570 -0.123 0.000 2.286 526 I HA -0.256 3.914 4.170 0.000 0.000 0.245 526 I C 2.486 178.639 176.117 0.060 0.000 1.104 526 I CA 1.196 62.544 61.300 0.080 0.000 1.397 526 I CB -0.222 37.851 38.000 0.121 0.000 1.072 526 I HN 0.144 nan 8.210 nan 0.000 0.417 527 K N 0.716 121.118 120.400 0.004 0.000 2.057 527 K HA -0.095 4.225 4.320 0.000 0.000 0.207 527 K C 0.696 177.299 176.600 0.005 0.000 1.049 527 K CA 0.774 57.064 56.287 0.005 0.000 0.931 527 K CB -0.059 32.432 32.500 -0.015 0.000 0.714 527 K HN 0.141 nan 8.250 nan 0.000 0.440 528 K N 1.284 121.675 120.400 -0.015 0.000 2.336 528 K HA -0.044 4.276 4.320 0.000 0.000 0.262 528 K C 1.013 177.626 176.600 0.022 0.000 0.992 528 K CA 0.602 56.882 56.287 -0.012 0.000 0.927 528 K CB 0.550 33.025 32.500 -0.041 0.000 0.956 528 K HN 0.187 nan 8.250 nan 0.000 0.495 529 E N 1.052 121.265 120.200 0.022 0.000 2.127 529 E HA 0.006 4.356 4.350 0.000 0.000 0.191 529 E C -0.210 176.417 176.600 0.045 0.000 0.964 529 E CA 0.806 57.227 56.400 0.036 0.000 0.832 529 E CB 0.446 30.162 29.700 0.027 0.000 0.790 529 E HN 0.324 nan 8.360 nan 0.000 0.465 530 K N 0.676 121.099 120.400 0.038 0.000 2.525 530 K HA 0.457 4.777 4.320 0.000 0.000 0.254 530 K C -1.527 175.102 176.600 0.049 0.000 0.934 530 K CA -0.447 55.872 56.287 0.053 0.000 0.802 530 K CB 3.168 35.696 32.500 0.047 0.000 1.295 530 K HN -0.196 nan 8.250 nan 0.000 0.433 531 V N 2.685 122.644 119.914 0.075 0.000 2.668 531 V HA 0.320 4.440 4.120 0.000 0.000 0.304 531 V C -1.628 174.547 176.094 0.135 0.000 1.071 531 V CA -0.962 61.375 62.300 0.062 0.000 0.894 531 V CB 1.622 33.447 31.823 0.003 0.000 1.008 531 V HN 0.737 nan 8.190 nan 0.000 0.425 532 Y N 5.411 125.711 120.300 0.001 0.000 2.326 532 Y HA 0.766 5.316 4.550 0.000 0.000 0.331 532 Y C -1.056 174.846 175.900 0.003 0.000 0.962 532 Y CA -0.988 57.119 58.100 0.010 0.000 1.167 532 Y CB 1.718 40.182 38.460 0.007 0.000 1.148 532 Y HN 0.639 nan 8.280 nan 0.000 0.463 533 L N 6.136 127.004 121.223 -0.592 0.000 2.282 533 L HA 0.903 5.244 4.340 0.000 0.000 0.288 533 L C -0.851 175.650 176.870 -0.614 0.000 1.033 533 L CA -0.222 54.357 54.840 -0.436 0.000 0.807 533 L CB 0.972 42.916 42.059 -0.192 0.000 1.209 533 L HN 0.754 nan 8.230 nan 0.000 0.423 534 A N 4.163 126.779 122.820 -0.341 0.000 2.423 534 A HA 0.745 5.065 4.320 0.000 0.000 0.304 534 A C -2.073 175.541 177.584 0.049 0.000 1.104 534 A CA -0.567 51.380 52.037 -0.150 0.000 0.757 534 A CB 0.975 19.950 19.000 -0.042 0.000 1.313 534 A HN 0.797 nan 8.150 nan 0.000 0.423 535 W N 1.248 122.513 121.300 -0.059 0.000 2.819 535 W HA 0.600 5.260 4.660 0.000 0.000 0.337 535 W C -1.166 175.360 176.519 0.011 0.000 1.077 535 W CA -0.545 56.787 57.345 -0.022 0.000 1.226 535 W CB 1.985 31.431 29.460 -0.023 0.000 1.419 535 W HN 0.898 nan 8.180 nan 0.000 0.502 536 V N 3.400 122.705 119.914 -1.016 0.000 2.876 536 V HA 0.723 4.843 4.120 0.000 0.000 0.312 536 V C -2.645 172.471 176.094 -1.631 0.000 1.085 536 V CA -2.915 58.794 62.300 -0.986 0.000 0.945 536 V CB 1.679 33.269 31.823 -0.389 0.000 1.017 536 V HN 0.502 nan 8.190 nan 0.000 0.428 537 P HA 0.351 nan 4.420 nan 0.000 0.276 537 P C 0.067 177.163 177.300 -0.340 0.000 1.243 537 P CA 0.382 63.101 63.100 -0.635 0.000 0.768 537 P CB 0.948 32.558 31.700 -0.151 0.000 0.856 538 A N 4.136 126.811 122.820 -0.242 0.000 2.466 538 A HA 0.081 4.401 4.320 0.000 0.000 0.238 538 A C 0.652 178.145 177.584 -0.153 0.000 1.074 538 A CA 0.064 51.943 52.037 -0.264 0.000 0.774 538 A CB -0.846 18.005 19.000 -0.248 0.000 1.015 538 A HN 0.790 nan 8.150 nan 0.000 0.498 539 H N -0.241 118.807 119.070 -0.036 0.000 2.791 539 H HA -0.123 4.433 4.556 0.000 0.000 0.302 539 H C 0.135 175.449 175.328 -0.023 0.000 1.198 539 H CA 1.323 57.358 56.048 -0.022 0.000 1.145 539 H CB -1.219 28.540 29.762 -0.006 0.000 1.385 539 H HN 0.699 nan 8.280 nan 0.000 0.409 540 K N -0.091 120.313 120.400 0.007 0.000 2.413 540 K HA 0.292 4.612 4.320 0.000 0.000 0.204 540 K C 1.273 177.865 176.600 -0.013 0.000 1.041 540 K CA 0.672 56.959 56.287 0.000 0.000 1.082 540 K CB 0.862 33.347 32.500 -0.024 0.000 0.871 540 K HN 0.518 nan 8.250 nan 0.000 0.535 541 G N 1.635 110.424 108.800 -0.020 0.000 2.272 541 G HA2 -0.268 3.692 3.960 0.000 0.000 0.280 541 G HA3 -0.268 3.692 3.960 0.000 0.000 0.280 541 G C -0.195 174.677 174.900 -0.047 0.000 1.067 541 G CA -0.010 45.074 45.100 -0.028 0.000 0.902 541 G HN 0.236 nan 8.290 nan 0.000 0.500 542 I N 1.203 121.732 120.570 -0.068 0.000 2.371 542 I HA 0.439 4.609 4.170 0.000 0.000 0.290 542 I C 1.483 177.531 176.117 -0.116 0.000 1.028 542 I CA 0.085 61.341 61.300 -0.073 0.000 1.345 542 I CB 1.297 39.257 38.000 -0.067 0.000 1.407 542 I HN 0.224 nan 8.210 nan 0.000 0.501 543 G N 4.080 112.806 108.800 -0.124 0.000 2.202 543 G HA2 0.348 4.308 3.960 0.000 0.000 0.251 543 G HA3 0.348 4.308 3.960 0.000 0.000 0.251 543 G C 0.926 175.554 174.900 -0.453 0.000 1.219 543 G CA 0.474 45.450 45.100 -0.207 0.000 0.943 543 G HN 1.122 nan 8.290 nan 0.000 0.465 544 G N 2.564 111.020 108.800 -0.574 0.000 2.956 544 G HA2 -0.367 3.593 3.960 0.000 0.000 0.210 544 G HA3 -0.367 3.593 3.960 0.000 0.000 0.210 544 G C 1.520 176.123 174.900 -0.495 0.000 1.316 544 G CA 0.769 45.227 45.100 -1.070 0.000 0.819 544 G HN 0.773 nan 8.290 nan 0.000 0.544 545 N N 1.365 119.914 118.700 -0.251 0.000 2.120 545 N HA -0.106 4.634 4.740 0.000 0.000 0.188 545 N C 1.974 177.424 175.510 -0.101 0.000 1.024 545 N CA 1.948 54.960 53.050 -0.063 0.000 0.852 545 N CB -0.145 38.305 38.487 -0.061 0.000 1.003 545 N HN 0.698 nan 8.380 nan 0.000 0.424 546 E N 0.219 120.347 120.200 -0.121 0.000 2.110 546 E HA -0.209 4.141 4.350 0.000 0.000 0.193 546 E C 1.935 178.491 176.600 -0.073 0.000 0.988 546 E CA 1.072 57.420 56.400 -0.087 0.000 0.804 546 E CB 0.128 29.782 29.700 -0.077 0.000 0.745 546 E HN 0.363 nan 8.360 nan 0.000 0.458 547 Q N -0.359 119.380 119.800 -0.101 0.000 2.050 547 Q HA -0.142 4.198 4.340 0.000 0.000 0.202 547 Q C 2.188 178.161 176.000 -0.045 0.000 0.980 547 Q CA 1.828 57.583 55.803 -0.080 0.000 0.840 547 Q CB 0.050 28.720 28.738 -0.113 0.000 0.898 547 Q HN 0.200 nan 8.270 nan 0.000 0.424 548 V N 0.525 120.423 119.914 -0.027 0.000 2.358 548 V HA -0.232 3.889 4.120 0.000 0.000 0.246 548 V C 1.842 177.937 176.094 0.001 0.000 1.047 548 V CA 1.862 64.169 62.300 0.011 0.000 1.035 548 V CB -0.782 31.081 31.823 0.067 0.000 0.658 548 V HN 0.377 nan 8.190 nan 0.000 0.452 549 D N 0.408 120.798 120.400 -0.015 0.000 2.133 549 D HA -0.217 4.423 4.640 0.000 0.000 0.195 549 D C 2.141 178.449 176.300 0.013 0.000 0.997 549 D CA 1.665 55.659 54.000 -0.009 0.000 0.840 549 D CB -0.118 40.656 40.800 -0.045 0.000 0.947 549 D HN 0.400 nan 8.370 nan 0.000 0.452 550 K N -0.697 119.703 120.400 0.001 0.000 1.991 550 K HA -0.138 4.183 4.320 0.000 0.000 0.212 550 K C 2.246 178.846 176.600 0.000 0.000 1.049 550 K CA 1.703 57.991 56.287 0.002 0.000 0.932 550 K CB -0.410 32.083 32.500 -0.011 0.000 0.717 550 K HN 0.279 nan 8.250 nan 0.000 0.441 551 L N -1.047 120.171 121.223 -0.009 0.000 2.376 551 L HA -0.040 4.300 4.340 0.000 0.000 0.219 551 L C 1.966 178.833 176.870 -0.006 0.000 1.133 551 L CA 0.858 55.691 54.840 -0.013 0.000 0.816 551 L CB -0.470 41.572 42.059 -0.029 0.000 0.933 551 L HN -0.143 nan 8.230 nan 0.000 0.449 552 V N -0.875 119.042 119.914 0.006 0.000 2.500 552 V HA -0.050 4.070 4.120 0.000 0.000 0.243 552 V C 2.374 178.483 176.094 0.025 0.000 1.039 552 V CA 1.580 63.890 62.300 0.017 0.000 1.053 552 V CB 0.098 31.937 31.823 0.027 0.000 0.695 552 V HN 0.462 nan 8.190 nan 0.000 0.463 553 S N 0.469 116.188 115.700 0.031 0.000 2.515 553 S HA 0.160 4.630 4.470 0.000 0.000 0.231 553 S C 1.107 175.722 174.600 0.024 0.000 0.987 553 S CA 0.479 58.702 58.200 0.038 0.000 0.936 553 S CB -0.329 62.905 63.200 0.057 0.000 0.766 553 S HN 0.541 nan 8.310 nan 0.000 0.528 554 A N 1.178 124.007 122.820 0.015 0.000 2.524 554 A HA 0.476 4.797 4.320 0.000 0.000 0.250 554 A C 1.233 178.822 177.584 0.008 0.000 1.078 554 A CA 0.438 52.480 52.037 0.008 0.000 0.761 554 A CB -0.666 18.335 19.000 0.001 0.000 1.012 554 A HN 0.935 nan 8.150 nan 0.000 0.500 555 G N 0.312 109.116 108.800 0.007 0.000 2.288 555 G HA2 0.369 4.329 3.960 0.000 0.000 0.205 555 G HA3 0.369 4.329 3.960 0.000 0.000 0.205 555 G C 0.664 175.569 174.900 0.009 0.000 1.071 555 G CA 0.188 45.292 45.100 0.007 0.000 0.788 555 G HN 2.846 nan 8.290 nan 0.000 0.491 556 I N -3.461 117.114 120.570 0.009 0.000 7.863 556 I HA 0.454 4.625 4.170 0.000 0.000 0.126 556 I C 0.570 176.695 176.117 0.014 0.000 1.842 556 I CA 2.680 63.985 61.300 0.009 0.000 2.048 556 I CB -2.198 35.805 38.000 0.006 0.000 3.719 556 I HN 2.797 nan 8.210 nan 0.000 0.172 557 R N 0.000 120.511 120.500 0.018 0.000 2.786 557 R HA 0.000 4.340 4.340 0.000 0.000 0.208 557 R CA 0.000 56.117 56.100 0.028 0.000 0.921 557 R CB 0.000 30.321 30.300 0.035 0.000 0.687 557 R HN 0.000 nan 8.270 nan 0.000 0.535