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 1rt4_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINXXXX XIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FRKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLX 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 GI 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 0.000 177.371 177.300 0.118 0.000 1.155 1 P CA 0.000 63.155 63.100 0.092 0.000 0.800 1 P CB 0.000 31.749 31.700 0.081 0.000 0.726 2 I N 0.715 121.353 120.570 0.112 0.000 2.834 2 I HA 0.609 4.795 4.170 0.027 0.000 0.305 2 I C 0.606 176.800 176.117 0.129 0.000 1.008 2 I CA -0.431 60.943 61.300 0.123 0.000 1.273 2 I CB 1.480 39.545 38.000 0.108 0.000 1.432 2 I HN 0.498 nan 8.210 nan 0.000 0.557 3 S N 2.936 118.724 115.700 0.147 0.000 2.566 3 S HA 0.557 5.043 4.470 0.027 0.000 0.298 3 S C -2.487 172.224 174.600 0.185 0.000 1.083 3 S CA -1.282 57.031 58.200 0.187 0.000 0.978 3 S CB 1.924 65.267 63.200 0.238 0.000 1.073 3 S HN 0.492 nan 8.310 nan 0.000 0.491 4 P HA 0.394 nan 4.420 nan 0.000 0.212 4 P C -0.944 176.530 177.300 0.291 0.000 1.816 4 P CA -0.069 63.148 63.100 0.195 0.000 0.944 4 P CB -0.436 31.332 31.700 0.115 0.000 1.896 5 I N -0.074 120.637 120.570 0.236 0.000 2.562 5 I HA 0.363 4.549 4.170 0.027 0.000 0.301 5 I C 0.085 176.267 176.117 0.108 0.000 1.003 5 I CA -1.491 59.918 61.300 0.182 0.000 1.127 5 I CB 1.877 39.924 38.000 0.079 0.000 1.304 5 I HN -0.172 nan 8.210 nan 0.000 0.446 6 E N 3.771 124.023 120.200 0.086 0.000 2.480 6 E HA 0.101 4.467 4.350 0.027 0.000 0.258 6 E C -0.426 176.202 176.600 0.046 0.000 0.984 6 E CA 0.272 56.710 56.400 0.063 0.000 0.930 6 E CB 0.247 29.978 29.700 0.052 0.000 0.936 6 E HN 0.638 nan 8.360 nan 0.000 0.466 7 T N 0.503 115.087 114.554 0.051 0.000 2.913 7 T HA 0.281 4.647 4.350 0.027 0.000 0.297 7 T C 0.134 174.863 174.700 0.048 0.000 1.029 7 T CA -0.996 61.131 62.100 0.046 0.000 1.104 7 T CB 1.021 69.919 68.868 0.049 0.000 0.964 7 T HN 0.146 nan 8.240 nan 0.000 0.532 8 V N 5.809 125.754 119.914 0.052 0.000 2.432 8 V HA 0.329 4.465 4.120 0.027 0.000 0.275 8 V C -1.696 174.454 176.094 0.094 0.000 1.043 8 V CA -1.911 60.431 62.300 0.070 0.000 0.925 8 V CB 0.977 32.847 31.823 0.079 0.000 0.985 8 V HN 0.872 nan 8.190 nan 0.000 0.466 9 P HA 0.112 nan 4.420 nan 0.000 0.264 9 P C -0.835 176.530 177.300 0.108 0.000 1.229 9 P CA 0.246 63.401 63.100 0.091 0.000 0.780 9 P CB 0.751 32.492 31.700 0.067 0.000 0.808 10 V N 5.525 125.517 119.914 0.130 0.000 2.487 10 V HA 0.389 4.526 4.120 0.027 0.000 0.298 10 V C 0.346 176.580 176.094 0.233 0.000 1.028 10 V CA -0.508 61.864 62.300 0.120 0.000 0.860 10 V CB 1.898 33.754 31.823 0.055 0.000 0.991 10 V HN 0.469 nan 8.190 nan 0.000 0.427 11 K N 4.502 125.011 120.400 0.181 0.000 2.395 11 K HA 0.740 5.077 4.320 0.027 0.000 0.247 11 K C -1.207 175.516 176.600 0.205 0.000 0.973 11 K CA -0.916 55.520 56.287 0.247 0.000 0.828 11 K CB 2.403 34.974 32.500 0.119 0.000 1.272 11 K HN 0.374 nan 8.250 nan 0.000 0.439 12 L N 2.293 123.602 121.223 0.144 0.000 2.436 12 L HA 0.180 4.536 4.340 0.027 0.000 0.265 12 L C 0.509 177.378 176.870 -0.001 0.000 1.168 12 L CA -0.582 54.274 54.840 0.027 0.000 0.815 12 L CB 0.346 42.283 42.059 -0.203 0.000 1.109 12 L HN 0.600 nan 8.230 nan 0.000 0.462 13 K N 2.217 122.610 120.400 -0.012 0.000 2.527 13 K HA 0.105 4.441 4.320 0.027 0.000 0.278 13 K C -2.335 174.256 176.600 -0.015 0.000 0.981 13 K CA -1.320 54.955 56.287 -0.020 0.000 1.009 13 K CB -0.517 31.973 32.500 -0.017 0.000 0.895 13 K HN 0.298 nan 8.250 nan 0.000 0.493 14 P HA -0.127 nan 4.420 nan 0.000 0.258 14 P C 0.697 177.996 177.300 -0.000 0.000 1.172 14 P CA 1.230 64.328 63.100 -0.003 0.000 0.762 14 P CB 0.380 32.078 31.700 -0.004 0.000 0.764 15 G N 2.342 111.145 108.800 0.005 0.000 2.213 15 G HA2 -0.225 3.751 3.960 0.027 0.000 0.236 15 G HA3 -0.225 3.751 3.960 0.027 0.000 0.236 15 G C 0.136 175.041 174.900 0.007 0.000 0.991 15 G CA -0.045 45.061 45.100 0.009 0.000 0.629 15 G HN 0.485 nan 8.290 nan 0.000 0.517 16 M N 0.152 119.747 119.600 -0.007 0.000 2.573 16 M HA 0.649 5.145 4.480 0.027 0.000 0.309 16 M C -0.387 175.891 176.300 -0.038 0.000 1.202 16 M CA -0.600 54.690 55.300 -0.017 0.000 0.975 16 M CB 1.531 34.114 32.600 -0.028 0.000 1.600 16 M HN 0.152 nan 8.290 nan 0.000 0.479 17 D N -0.390 119.994 120.400 -0.026 0.000 2.490 17 D HA 0.532 5.189 4.640 0.027 0.000 0.232 17 D C -0.248 175.999 176.300 -0.088 0.000 1.053 17 D CA -0.137 53.858 54.000 -0.009 0.000 0.914 17 D CB 1.684 42.566 40.800 0.138 0.000 1.431 17 D HN 0.687 nan 8.370 nan 0.000 0.483 18 G N 1.141 109.805 108.800 -0.228 0.000 2.760 18 G HA2 0.224 4.201 3.960 0.027 0.000 0.236 18 G HA3 0.224 4.201 3.960 0.027 0.000 0.236 18 G C -2.245 172.686 174.900 0.051 0.000 1.243 18 G CA -0.689 44.139 45.100 -0.452 0.000 0.850 18 G HN 0.393 nan 8.290 nan 0.000 0.595 19 P HA 0.229 nan 4.420 nan 0.000 0.269 19 P C -0.463 177.011 177.300 0.290 0.000 1.209 19 P CA 0.221 63.431 63.100 0.184 0.000 0.776 19 P CB 0.546 32.354 31.700 0.181 0.000 0.876 20 K N 1.008 121.528 120.400 0.200 0.000 3.200 20 K HA 0.349 4.685 4.320 0.027 0.000 0.179 20 K C -1.179 175.486 176.600 0.109 0.000 1.153 20 K CA -0.277 56.106 56.287 0.160 0.000 0.836 20 K CB 1.221 33.801 32.500 0.133 0.000 1.051 20 K HN 0.139 nan 8.250 nan 0.000 0.594 21 V N 1.370 121.351 119.914 0.112 0.000 2.975 21 V HA 0.455 4.592 4.120 0.027 0.000 0.318 21 V C -0.701 175.434 176.094 0.070 0.000 1.077 21 V CA -0.744 61.607 62.300 0.085 0.000 1.000 21 V CB 1.544 33.427 31.823 0.100 0.000 1.066 21 V HN 0.474 nan 8.190 nan 0.000 0.452 22 K N 3.298 123.717 120.400 0.033 0.000 2.258 22 K HA 0.262 4.599 4.320 0.027 0.000 0.264 22 K C -0.646 175.987 176.600 0.055 0.000 1.007 22 K CA -0.290 56.002 56.287 0.008 0.000 0.941 22 K CB 1.001 33.459 32.500 -0.071 0.000 0.966 22 K HN 0.585 nan 8.250 nan 0.000 0.480 23 Q N 2.312 122.159 119.800 0.079 0.000 2.314 23 Q HA 0.231 4.588 4.340 0.027 0.000 0.259 23 Q C -1.543 174.585 176.000 0.213 0.000 0.951 23 Q CA -0.287 55.621 55.803 0.175 0.000 0.909 23 Q CB 0.508 29.333 28.738 0.145 0.000 1.236 23 Q HN 0.517 nan 8.270 nan 0.000 0.444 24 W N 5.690 127.048 121.300 0.096 0.000 2.170 24 W HA 0.261 4.938 4.660 0.027 0.000 0.342 24 W C -1.726 174.858 176.519 0.108 0.000 1.294 24 W CA -1.234 56.192 57.345 0.136 0.000 1.246 24 W CB -0.092 29.524 29.460 0.260 0.000 1.156 24 W HN 0.528 nan 8.180 nan 0.000 0.572 25 P HA 0.334 nan 4.420 nan 0.000 0.279 25 P C -0.915 176.509 177.300 0.207 0.000 1.239 25 P CA -0.017 63.200 63.100 0.193 0.000 0.789 25 P CB 1.248 33.026 31.700 0.130 0.000 0.933 26 L N 1.165 122.471 121.223 0.139 0.000 2.309 26 L HA 0.477 4.833 4.340 0.027 0.000 0.261 26 L C 0.803 177.701 176.870 0.047 0.000 1.021 26 L CA -0.896 54.005 54.840 0.102 0.000 0.823 26 L CB 1.819 43.930 42.059 0.086 0.000 1.366 26 L HN 0.247 nan 8.230 nan 0.000 0.423 27 T N -0.740 113.826 114.554 0.020 0.000 2.860 27 T HA -0.027 4.340 4.350 0.027 0.000 0.299 27 T C 1.060 175.725 174.700 -0.057 0.000 1.045 27 T CA -0.229 61.866 62.100 -0.008 0.000 1.071 27 T CB 1.135 70.000 68.868 -0.005 0.000 0.985 27 T HN 0.702 nan 8.240 nan 0.000 0.537 28 E N 0.522 120.690 120.200 -0.053 0.000 2.204 28 E HA -0.191 4.175 4.350 0.027 0.000 0.195 28 E C 1.759 178.270 176.600 -0.148 0.000 0.990 28 E CA 0.912 57.268 56.400 -0.073 0.000 0.821 28 E CB 0.155 29.827 29.700 -0.047 0.000 0.750 28 E HN 0.498 nan 8.360 nan 0.000 0.477 29 E N 0.658 120.744 120.200 -0.191 0.000 2.072 29 E HA -0.126 4.240 4.350 0.027 0.000 0.190 29 E C 1.872 178.039 176.600 -0.722 0.000 0.982 29 E CA 0.850 57.028 56.400 -0.369 0.000 0.803 29 E CB 0.093 29.648 29.700 -0.241 0.000 0.755 29 E HN 0.271 nan 8.360 nan 0.000 0.453 30 K N 0.104 120.160 120.400 -0.573 0.000 2.288 30 K HA 0.000 4.337 4.320 0.027 0.000 0.201 30 K C 2.222 178.634 176.600 -0.315 0.000 1.048 30 K CA 0.582 56.527 56.287 -0.570 0.000 0.956 30 K CB 0.177 32.563 32.500 -0.190 0.000 0.746 30 K HN 0.163 nan 8.250 nan 0.000 0.461 31 I N 1.078 121.519 120.570 -0.215 0.000 2.296 31 I HA -0.195 3.991 4.170 0.027 0.000 0.242 31 I C 2.160 178.198 176.117 -0.132 0.000 1.087 31 I CA 0.901 62.135 61.300 -0.110 0.000 1.393 31 I CB -0.121 37.846 38.000 -0.055 0.000 1.093 31 I HN 0.061 nan 8.210 nan 0.000 0.421 32 K N 1.192 121.484 120.400 -0.180 0.000 2.034 32 K HA -0.260 4.076 4.320 0.027 0.000 0.214 32 K C 2.234 178.734 176.600 -0.167 0.000 1.051 32 K CA 2.003 58.196 56.287 -0.157 0.000 0.931 32 K CB -0.404 31.986 32.500 -0.184 0.000 0.715 32 K HN 0.325 nan 8.250 nan 0.000 0.446 33 A N 1.460 124.098 122.820 -0.302 0.000 1.859 33 A HA -0.207 4.129 4.320 0.027 0.000 0.217 33 A C 2.187 179.716 177.584 -0.091 0.000 1.198 33 A CA 1.633 53.529 52.037 -0.235 0.000 0.629 33 A CB -0.943 17.794 19.000 -0.438 0.000 0.830 33 A HN 0.241 nan 8.150 nan 0.000 0.446 34 L N -0.440 120.733 121.223 -0.084 0.000 2.129 34 L HA -0.204 4.152 4.340 0.027 0.000 0.212 34 L C 2.542 179.424 176.870 0.020 0.000 1.087 34 L CA 1.131 55.965 54.840 -0.010 0.000 0.757 34 L CB -0.498 41.571 42.059 0.015 0.000 0.896 34 L HN 0.298 nan 8.230 nan 0.000 0.434 35 V N -0.256 119.665 119.914 0.012 0.000 2.270 35 V HA -0.272 3.864 4.120 0.027 0.000 0.245 35 V C 2.314 178.428 176.094 0.034 0.000 1.043 35 V CA 1.881 64.210 62.300 0.049 0.000 1.014 35 V CB -0.462 31.376 31.823 0.024 0.000 0.645 35 V HN 0.467 nan 8.190 nan 0.000 0.447 36 E N -0.039 120.162 120.200 0.002 0.000 2.023 36 E HA -0.246 4.120 4.350 0.027 0.000 0.196 36 E C 2.144 178.744 176.600 -0.001 0.000 1.003 36 E CA 1.727 58.128 56.400 0.002 0.000 0.809 36 E CB -0.322 29.374 29.700 -0.007 0.000 0.755 36 E HN 0.428 nan 8.360 nan 0.000 0.449 37 I N 1.086 121.652 120.570 -0.007 0.000 2.151 37 I HA -0.329 3.858 4.170 0.027 0.000 0.243 37 I C 2.452 178.536 176.117 -0.056 0.000 1.080 37 I CA 1.185 62.472 61.300 -0.021 0.000 1.339 37 I CB -0.525 37.469 38.000 -0.009 0.000 1.039 37 I HN 0.257 nan 8.210 nan 0.000 0.409 38 C N -0.227 119.029 119.300 -0.073 0.000 2.422 38 C HA -0.154 4.323 4.460 0.027 0.000 0.279 38 C C 2.857 177.739 174.990 -0.181 0.000 1.305 38 C CA 1.572 60.465 59.018 -0.208 0.000 1.757 38 C CB -1.384 26.198 27.740 -0.263 0.000 1.962 38 C HN 0.542 nan 8.230 nan 0.000 0.499 39 T N 0.339 114.878 114.554 -0.025 0.000 2.915 39 T HA -0.154 4.213 4.350 0.027 0.000 0.269 39 T C 1.595 176.297 174.700 0.003 0.000 1.071 39 T CA 1.634 63.754 62.100 0.034 0.000 1.132 39 T CB -0.195 68.707 68.868 0.056 0.000 0.878 39 T HN 0.638 nan 8.240 nan 0.000 0.479 40 E N 2.570 122.758 120.200 -0.020 0.000 2.001 40 E HA -0.143 4.224 4.350 0.027 0.000 0.195 40 E C 2.193 178.780 176.600 -0.022 0.000 1.002 40 E CA 1.472 57.861 56.400 -0.018 0.000 0.819 40 E CB -0.474 29.211 29.700 -0.026 0.000 0.769 40 E HN 0.625 nan 8.360 nan 0.000 0.454 41 M N -0.101 119.471 119.600 -0.047 0.000 2.446 41 M HA -0.034 4.462 4.480 0.027 0.000 0.263 41 M C 1.952 178.241 176.300 -0.019 0.000 1.066 41 M CA 2.028 57.311 55.300 -0.028 0.000 1.087 41 M CB -0.445 32.137 32.600 -0.030 0.000 1.406 41 M HN 0.062 nan 8.290 nan 0.000 0.459 42 E N 2.738 122.913 120.200 -0.041 0.000 2.028 42 E HA -0.219 4.147 4.350 0.027 0.000 0.191 42 E C 2.003 178.630 176.600 0.044 0.000 0.988 42 E CA 2.346 58.757 56.400 0.019 0.000 0.799 42 E CB -0.322 29.430 29.700 0.087 0.000 0.755 42 E HN 0.733 nan 8.360 nan 0.000 0.447 43 K N 0.402 120.823 120.400 0.034 0.000 2.147 43 K HA -0.168 4.169 4.320 0.027 0.000 0.205 43 K C 1.775 178.396 176.600 0.034 0.000 1.049 43 K CA 1.677 57.984 56.287 0.034 0.000 0.936 43 K CB -0.256 32.260 32.500 0.026 0.000 0.722 43 K HN 0.188 nan 8.250 nan 0.000 0.446 44 E N 0.056 120.276 120.200 0.033 0.000 2.418 44 E HA -0.038 4.328 4.350 0.027 0.000 0.197 44 E C 0.890 177.525 176.600 0.059 0.000 1.026 44 E CA 0.512 56.938 56.400 0.043 0.000 0.862 44 E CB -0.009 29.716 29.700 0.041 0.000 0.799 44 E HN 0.719 nan 8.360 nan 0.000 0.518 45 G N 1.482 110.317 108.800 0.058 0.000 2.176 45 G HA2 -0.359 3.618 3.960 0.027 0.000 0.253 45 G HA3 -0.359 3.618 3.960 0.027 0.000 0.253 45 G C 0.910 175.862 174.900 0.086 0.000 0.979 45 G CA 0.709 45.849 45.100 0.067 0.000 0.641 45 G HN 0.239 nan 8.290 nan 0.000 0.530 46 K N -0.098 120.364 120.400 0.104 0.000 2.026 46 K HA 0.172 4.509 4.320 0.027 0.000 0.208 46 K C 1.515 178.185 176.600 0.117 0.000 1.048 46 K CA 1.583 57.969 56.287 0.164 0.000 0.929 46 K CB -0.038 32.606 32.500 0.239 0.000 0.713 46 K HN 0.827 nan 8.250 nan 0.000 0.439 47 I N -2.768 117.821 120.570 0.032 0.000 2.646 47 I HA 0.411 4.597 4.170 0.027 0.000 0.299 47 I C -0.941 175.211 176.117 0.058 0.000 1.036 47 I CA -0.807 60.476 61.300 -0.027 0.000 1.074 47 I CB 2.521 40.395 38.000 -0.210 0.000 1.258 47 I HN -0.263 nan 8.210 nan 0.000 0.430 48 S N 3.537 119.289 115.700 0.087 0.000 2.536 48 S HA 0.473 4.960 4.470 0.027 0.000 0.298 48 S C -0.568 174.084 174.600 0.086 0.000 1.083 48 S CA -0.931 57.328 58.200 0.100 0.000 0.995 48 S CB 1.844 65.070 63.200 0.042 0.000 1.058 48 S HN 0.546 nan 8.310 nan 0.000 0.488 49 K N 1.978 122.378 120.400 0.000 0.000 2.355 49 K HA 0.418 4.754 4.320 0.027 0.000 0.270 49 K C -0.133 176.367 176.600 -0.166 0.000 1.003 49 K CA 0.015 56.166 56.287 -0.227 0.000 0.957 49 K CB 0.250 32.575 32.500 -0.291 0.000 0.939 49 K HN 0.600 nan 8.250 nan 0.000 0.482 50 I N -2.231 118.212 120.570 -0.213 0.000 2.828 50 I HA 0.579 4.765 4.170 0.027 0.000 0.302 50 I C 0.118 176.148 176.117 -0.146 0.000 1.101 50 I CA -1.073 60.140 61.300 -0.145 0.000 1.031 50 I CB 2.133 40.061 38.000 -0.120 0.000 1.231 50 I HN 0.577 nan 8.210 nan 0.000 0.427 51 G N 1.997 110.731 108.800 -0.109 0.000 2.606 51 G HA2 0.532 4.508 3.960 0.027 0.000 0.262 51 G HA3 0.532 4.508 3.960 0.027 0.000 0.262 51 G C -1.806 173.040 174.900 -0.089 0.000 1.394 51 G CA -1.037 44.005 45.100 -0.098 0.000 1.044 51 G HN 0.611 nan 8.290 nan 0.000 0.553 52 P HA 0.026 nan 4.420 nan 0.000 0.242 52 P C 0.402 177.652 177.300 -0.083 0.000 1.197 52 P CA 0.673 63.727 63.100 -0.076 0.000 0.765 52 P CB 0.143 31.805 31.700 -0.064 0.000 0.936 53 E N -0.520 119.631 120.200 -0.082 0.000 2.511 53 E HA 0.007 4.373 4.350 0.027 0.000 0.196 53 E C 0.682 177.215 176.600 -0.111 0.000 1.066 53 E CA -0.016 56.334 56.400 -0.085 0.000 0.871 53 E CB -0.312 29.348 29.700 -0.067 0.000 0.863 53 E HN 0.111 nan 8.360 nan 0.000 0.520 54 N N 1.352 119.978 118.700 -0.122 0.000 2.524 54 N HA 0.107 4.863 4.740 0.027 0.000 0.261 54 N C -2.105 173.273 175.510 -0.221 0.000 0.998 54 N CA -1.994 50.962 53.050 -0.156 0.000 0.915 54 N CB 1.432 39.883 38.487 -0.060 0.000 1.187 54 N HN -0.147 nan 8.380 nan 0.000 0.507 55 P HA 0.092 nan 4.420 nan 0.000 0.249 55 P C -0.559 176.543 177.300 -0.329 0.000 1.229 55 P CA 0.200 63.071 63.100 -0.381 0.000 0.788 55 P CB 0.036 31.477 31.700 -0.432 0.000 1.072 56 Y N 1.028 121.347 120.300 0.031 0.000 2.335 56 Y HA 0.531 5.097 4.550 0.027 0.000 0.323 56 Y C 0.867 176.814 175.900 0.077 0.000 1.224 56 Y CA -0.835 57.307 58.100 0.069 0.000 1.241 56 Y CB 0.582 39.101 38.460 0.099 0.000 1.235 56 Y HN -0.110 nan 8.280 nan 0.000 0.492 57 N N -0.759 118.109 118.700 0.281 0.000 2.516 57 N HA 0.432 5.188 4.740 0.027 0.000 0.268 57 N C -1.948 173.690 175.510 0.213 0.000 1.096 57 N CA -0.396 52.785 53.050 0.218 0.000 0.954 57 N CB 1.440 40.015 38.487 0.148 0.000 1.676 57 N HN 0.573 nan 8.380 nan 0.000 0.490 58 T N 3.084 117.771 114.554 0.222 0.000 2.863 58 T HA 0.550 4.917 4.350 0.027 0.000 0.285 58 T C -2.806 171.918 174.700 0.040 0.000 1.009 58 T CA -1.102 61.077 62.100 0.131 0.000 0.989 58 T CB 1.948 70.893 68.868 0.127 0.000 1.004 58 T HN 0.366 nan 8.240 nan 0.000 0.455 59 P HA 0.226 nan 4.420 nan 0.000 0.271 59 P C -0.809 176.210 177.300 -0.469 0.000 1.226 59 P CA -0.250 62.743 63.100 -0.179 0.000 0.765 59 P CB 0.531 32.137 31.700 -0.156 0.000 0.835 60 V N 5.204 124.924 119.914 -0.323 0.000 2.472 60 V HA 0.400 4.536 4.120 0.027 0.000 0.290 60 V C 0.281 176.222 176.094 -0.255 0.000 1.037 60 V CA -0.212 61.893 62.300 -0.326 0.000 0.908 60 V CB 0.438 32.184 31.823 -0.128 0.000 0.985 60 V HN 0.373 nan 8.190 nan 0.000 0.454 61 F N 1.569 121.437 119.950 -0.136 0.000 2.618 61 F HA 0.885 5.429 4.527 0.027 0.000 0.332 61 F C 0.317 176.087 175.800 -0.050 0.000 1.061 61 F CA -1.602 56.320 58.000 -0.130 0.000 0.974 61 F CB 1.957 40.843 39.000 -0.191 0.000 1.310 61 F HN 0.535 nan 8.300 nan 0.000 0.491 62 A N 1.938 124.901 122.820 0.239 0.000 2.414 62 A HA 0.704 5.041 4.320 0.027 0.000 0.286 62 A C -1.893 175.869 177.584 0.297 0.000 1.073 62 A CA -0.409 51.792 52.037 0.274 0.000 0.727 62 A CB 0.960 20.126 19.000 0.276 0.000 1.215 62 A HN 0.592 nan 8.150 nan 0.000 0.430 63 I N 1.689 122.357 120.570 0.164 0.000 2.447 63 I HA 0.428 4.614 4.170 0.027 0.000 0.287 63 I C -0.296 175.712 176.117 -0.182 0.000 1.023 63 I CA -0.500 60.775 61.300 -0.043 0.000 1.083 63 I CB 1.513 39.468 38.000 -0.075 0.000 1.245 63 I HN 0.586 nan 8.210 nan 0.000 0.434 64 K N 6.716 126.798 120.400 -0.530 0.000 2.436 64 K HA 0.128 4.465 4.320 0.027 0.000 0.275 64 K C 0.039 176.440 176.600 -0.331 0.000 0.999 64 K CA -0.211 55.687 56.287 -0.647 0.000 0.980 64 K CB 0.474 32.412 32.500 -0.938 0.000 0.919 64 K HN 0.652 nan 8.250 nan 0.000 0.484 65 K N 2.106 122.358 120.400 -0.245 0.000 2.234 65 K HA -0.011 4.325 4.320 0.027 0.000 0.251 65 K C -0.730 175.773 176.600 -0.161 0.000 1.011 65 K CA -0.238 55.954 56.287 -0.159 0.000 0.889 65 K CB 0.299 32.728 32.500 -0.117 0.000 1.011 65 K HN 0.279 nan 8.250 nan 0.000 0.505 66 K N 2.195 122.523 120.400 -0.119 0.000 2.289 66 K HA -0.214 4.122 4.320 0.027 0.000 0.251 66 K C -0.771 175.761 176.600 -0.112 0.000 1.307 66 K CA 1.197 57.421 56.287 -0.105 0.000 1.290 66 K CB -0.785 31.669 32.500 -0.078 0.000 0.757 66 K HN 0.709 nan 8.250 nan 0.000 0.513 67 D N 2.165 122.489 120.400 -0.127 0.000 2.942 67 D HA -0.116 4.540 4.640 0.027 0.000 0.251 67 D C -0.828 175.383 176.300 -0.149 0.000 1.054 67 D CA 0.896 54.822 54.000 -0.123 0.000 0.826 67 D CB -0.991 39.756 40.800 -0.088 0.000 1.044 67 D HN 0.698 nan 8.370 nan 0.000 0.429 68 S N -1.688 113.884 115.700 -0.213 0.000 3.462 68 S HA -0.279 4.208 4.470 0.027 0.000 0.370 68 S C 1.312 175.771 174.600 -0.235 0.000 1.028 68 S CA 1.603 59.643 58.200 -0.266 0.000 1.119 68 S CB -1.213 61.878 63.200 -0.181 0.000 0.906 68 S HN 0.581 nan 8.310 nan 0.000 0.471 69 T N 0.759 115.179 114.554 -0.223 0.000 3.523 69 T HA 0.194 4.560 4.350 0.027 0.000 0.216 69 T C 0.846 175.456 174.700 -0.150 0.000 0.922 69 T CA 0.395 62.409 62.100 -0.144 0.000 1.558 69 T CB 0.187 68.999 68.868 -0.094 0.000 1.424 69 T HN 0.469 nan 8.240 nan 0.000 0.452 70 K N -0.082 120.241 120.400 -0.129 0.000 2.098 70 K HA 0.293 4.630 4.320 0.027 0.000 0.258 70 K C -1.534 174.997 176.600 -0.115 0.000 0.973 70 K CA -0.642 55.621 56.287 -0.040 0.000 0.898 70 K CB 0.784 33.284 32.500 0.000 0.000 1.057 70 K HN 0.217 nan 8.250 nan 0.000 0.447 71 W N 3.228 124.512 121.300 -0.027 0.000 2.365 71 W HA 0.344 5.021 4.660 0.027 0.000 0.316 71 W C 0.409 176.906 176.519 -0.035 0.000 1.164 71 W CA -0.227 57.101 57.345 -0.029 0.000 1.204 71 W CB 0.929 30.376 29.460 -0.021 0.000 1.213 71 W HN 0.485 nan 8.180 nan 0.000 0.539 72 R N 2.749 123.357 120.500 0.180 0.000 2.888 72 R HA 0.663 5.019 4.340 0.027 0.000 0.266 72 R C -1.006 175.360 176.300 0.111 0.000 1.020 72 R CA -0.953 55.198 56.100 0.086 0.000 0.963 72 R CB 1.669 31.970 30.300 0.002 0.000 1.197 72 R HN 0.579 nan 8.270 nan 0.000 0.481 73 K N 1.508 121.940 120.400 0.052 0.000 2.295 73 K HA 0.633 4.970 4.320 0.027 0.000 0.239 73 K C -1.480 175.130 176.600 0.017 0.000 0.991 73 K CA -0.915 55.396 56.287 0.041 0.000 0.845 73 K CB 1.744 34.239 32.500 -0.007 0.000 1.197 73 K HN 0.298 nan 8.250 nan 0.000 0.441 74 L N 1.271 122.499 121.223 0.010 0.000 2.493 74 L HA 0.360 4.717 4.340 0.027 0.000 0.265 74 L C -1.610 175.178 176.870 -0.137 0.000 0.954 74 L CA -0.525 54.309 54.840 -0.010 0.000 0.844 74 L CB 2.623 44.723 42.059 0.069 0.000 1.302 74 L HN 0.608 nan 8.230 nan 0.000 0.405 75 V N 1.542 121.307 119.914 -0.248 0.000 2.417 75 V HA 0.349 4.486 4.120 0.027 0.000 0.291 75 V C -0.563 175.200 176.094 -0.552 0.000 1.024 75 V CA -0.689 61.294 62.300 -0.529 0.000 0.861 75 V CB 1.743 33.103 31.823 -0.772 0.000 0.985 75 V HN 0.701 nan 8.190 nan 0.000 0.436 76 D N 3.390 123.480 120.400 -0.516 0.000 2.483 76 D HA 0.265 4.922 4.640 0.027 0.000 0.220 76 D C 0.435 176.627 176.300 -0.180 0.000 1.173 76 D CA -0.182 53.650 54.000 -0.279 0.000 0.964 76 D CB 0.161 40.817 40.800 -0.241 0.000 1.046 76 D HN 0.379 nan 8.370 nan 0.000 0.517 77 F N 1.854 121.835 119.950 0.052 0.000 2.802 77 F HA 0.162 4.705 4.527 0.027 0.000 0.300 77 F C 2.156 178.025 175.800 0.115 0.000 1.168 77 F CA -0.024 58.039 58.000 0.105 0.000 1.433 77 F CB -0.195 38.898 39.000 0.154 0.000 1.115 77 F HN 0.304 nan 8.300 nan 0.000 0.582 78 R N 0.425 121.063 120.500 0.230 0.000 2.162 78 R HA -0.247 4.109 4.340 0.027 0.000 0.245 78 R C 2.068 178.471 176.300 0.172 0.000 1.129 78 R CA 2.080 58.285 56.100 0.176 0.000 0.940 78 R CB -0.434 29.946 30.300 0.135 0.000 0.875 78 R HN 0.262 nan 8.270 nan 0.000 0.437 79 E N 0.540 120.842 120.200 0.170 0.000 2.051 79 E HA -0.182 4.184 4.350 0.027 0.000 0.192 79 E C 2.036 178.733 176.600 0.163 0.000 0.991 79 E CA 0.801 57.289 56.400 0.148 0.000 0.799 79 E CB -0.447 29.334 29.700 0.136 0.000 0.748 79 E HN 0.156 nan 8.360 nan 0.000 0.449 80 L N 2.334 123.695 121.223 0.230 0.000 2.013 80 L HA -0.204 4.152 4.340 0.027 0.000 0.212 80 L C 1.549 178.571 176.870 0.252 0.000 1.073 80 L CA 1.824 56.807 54.840 0.238 0.000 0.753 80 L CB -0.880 41.389 42.059 0.351 0.000 0.890 80 L HN -0.002 nan 8.230 nan 0.000 0.432 81 N N 0.139 118.996 118.700 0.262 0.000 2.149 81 N HA -0.190 4.567 4.740 0.027 0.000 0.188 81 N C 1.736 177.318 175.510 0.121 0.000 1.019 81 N CA 1.492 54.651 53.050 0.182 0.000 0.857 81 N CB -0.261 38.306 38.487 0.133 0.000 0.997 81 N HN 0.504 nan 8.380 nan 0.000 0.426 82 K N 0.533 120.999 120.400 0.111 0.000 2.147 82 K HA -0.003 4.334 4.320 0.027 0.000 0.205 82 K C 1.778 178.414 176.600 0.060 0.000 1.049 82 K CA 0.917 57.249 56.287 0.075 0.000 0.936 82 K CB -0.008 32.534 32.500 0.071 0.000 0.722 82 K HN 0.173 nan 8.250 nan 0.000 0.446 83 R N 0.272 120.811 120.500 0.065 0.000 2.276 83 R HA 0.061 4.418 4.340 0.027 0.000 0.196 83 R C 0.329 176.657 176.300 0.046 0.000 0.961 83 R CA 0.290 56.404 56.100 0.022 0.000 1.024 83 R CB 0.306 30.581 30.300 -0.040 0.000 0.940 83 R HN 0.002 nan 8.270 nan 0.000 0.480 84 T N 2.149 116.785 114.554 0.136 0.000 2.910 84 T HA 0.055 4.422 4.350 0.027 0.000 0.293 84 T C 0.175 174.918 174.700 0.073 0.000 1.015 84 T CA -0.524 61.703 62.100 0.212 0.000 1.094 84 T CB 1.263 70.353 68.868 0.369 0.000 0.968 84 T HN 0.234 nan 8.240 nan 0.000 0.521 85 Q N 2.329 122.127 119.800 -0.002 0.000 2.614 85 Q HA 0.145 4.502 4.340 0.027 0.000 0.244 85 Q C -0.700 175.153 176.000 -0.246 0.000 1.097 85 Q CA -0.181 55.524 55.803 -0.163 0.000 0.986 85 Q CB 0.488 29.047 28.738 -0.298 0.000 1.308 85 Q HN 0.484 nan 8.270 nan 0.000 0.546 86 D N 0.339 120.600 120.400 -0.232 0.000 2.225 86 D HA 0.321 4.978 4.640 0.027 0.000 0.249 86 D C -0.835 175.290 176.300 -0.292 0.000 1.052 86 D CA -0.112 53.812 54.000 -0.127 0.000 0.909 86 D CB 0.697 41.483 40.800 -0.023 0.000 1.186 86 D HN 0.320 nan 8.370 nan 0.000 0.431 87 F N 0.228 120.159 119.950 -0.031 0.000 2.557 87 F HA 0.314 4.858 4.527 0.027 0.000 0.336 87 F C 0.767 176.641 175.800 0.123 0.000 1.058 87 F CA -1.014 56.992 58.000 0.010 0.000 0.988 87 F CB 0.996 39.947 39.000 -0.082 0.000 1.275 87 F HN 0.304 nan 8.300 nan 0.000 0.488 88 W N 1.360 122.730 121.300 0.117 0.000 1.924 88 W HA 0.123 4.799 4.660 0.027 0.000 0.363 88 W C -0.008 176.533 176.519 0.037 0.000 1.435 88 W CA -0.628 56.745 57.345 0.046 0.000 1.497 88 W CB 0.453 29.929 29.460 0.026 0.000 1.263 88 W HN 0.461 nan 8.180 nan 0.000 0.667 89 E N 1.424 121.077 120.200 -0.911 0.000 2.900 89 E HA -0.164 4.202 4.350 0.027 0.000 0.259 89 E C 0.734 177.153 176.600 -0.301 0.000 0.918 89 E CA 0.116 56.089 56.400 -0.712 0.000 0.960 89 E CB 1.265 30.397 29.700 -0.945 0.000 0.908 89 E HN 0.429 nan 8.360 nan 0.000 0.511 90 V N 3.266 123.049 119.914 -0.217 0.000 2.283 90 V HA -0.183 3.953 4.120 0.027 0.000 0.243 90 V C 0.522 176.555 176.094 -0.102 0.000 1.039 90 V CA 1.924 64.139 62.300 -0.142 0.000 1.016 90 V CB 0.184 31.930 31.823 -0.128 0.000 0.650 90 V HN 0.722 nan 8.190 nan 0.000 0.449 91 Q N -0.249 119.497 119.800 -0.091 0.000 2.961 91 Q HA 0.303 4.659 4.340 0.027 0.000 0.223 91 Q C 0.022 175.998 176.000 -0.040 0.000 0.859 91 Q CA -0.061 55.734 55.803 -0.014 0.000 0.771 91 Q CB 0.835 29.615 28.738 0.070 0.000 1.389 91 Q HN 0.570 nan 8.270 nan 0.000 0.460 92 L N 0.096 121.275 121.223 -0.072 0.000 2.834 92 L HA 0.554 4.910 4.340 0.027 0.000 0.252 92 L C 0.644 177.495 176.870 -0.031 0.000 1.152 92 L CA 0.606 55.392 54.840 -0.090 0.000 0.898 92 L CB -0.725 41.278 42.059 -0.092 0.000 1.078 92 L HN 0.527 nan 8.230 nan 0.000 0.439 93 G N -0.072 108.734 108.800 0.011 0.000 2.307 93 G HA2 0.215 4.191 3.960 0.027 0.000 0.348 93 G HA3 0.215 4.191 3.960 0.027 0.000 0.348 93 G C -1.208 173.742 174.900 0.082 0.000 1.603 93 G CA -0.921 44.194 45.100 0.025 0.000 0.961 93 G HN -0.026 nan 8.290 nan 0.000 0.686 94 I N 1.345 121.969 120.570 0.090 0.000 2.498 94 I HA 0.426 4.613 4.170 0.027 0.000 0.301 94 I C -1.773 174.400 176.117 0.093 0.000 0.984 94 I CA -2.364 59.034 61.300 0.163 0.000 1.204 94 I CB 1.223 39.310 38.000 0.144 0.000 1.362 94 I HN 0.232 nan 8.210 nan 0.000 0.471 95 P HA 0.169 nan 4.420 nan 0.000 0.271 95 P C -0.655 176.631 177.300 -0.023 0.000 1.226 95 P CA 0.043 63.065 63.100 -0.130 0.000 0.765 95 P CB 0.203 31.640 31.700 -0.439 0.000 0.835 96 H N 4.546 123.507 119.070 -0.181 0.000 2.548 96 H HA 0.174 4.746 4.556 0.027 0.000 0.331 96 H C -1.462 173.693 175.328 -0.289 0.000 1.093 96 H CA -1.559 54.365 56.048 -0.208 0.000 1.367 96 H CB 0.825 30.413 29.762 -0.289 0.000 1.455 96 H HN 0.315 nan 8.280 nan 0.000 0.519 97 P HA -0.267 nan 4.420 nan 0.000 0.218 97 P C 0.832 177.975 177.300 -0.260 0.000 1.154 97 P CA 2.356 65.122 63.100 -0.557 0.000 0.872 97 P CB 0.031 31.062 31.700 -1.115 0.000 0.790 98 A N -0.864 121.801 122.820 -0.259 0.000 2.178 98 A HA -0.002 4.334 4.320 0.027 0.000 0.218 98 A C 2.153 179.975 177.584 0.397 0.000 1.157 98 A CA 1.705 53.845 52.037 0.172 0.000 0.689 98 A CB -1.405 17.789 19.000 0.322 0.000 0.787 98 A HN 0.331 nan 8.150 nan 0.000 0.465 99 G N -1.188 107.647 108.800 0.058 0.000 3.126 99 G HA2 0.405 4.381 3.960 0.027 0.000 0.224 99 G HA3 0.405 4.381 3.960 0.027 0.000 0.224 99 G C 0.481 175.446 174.900 0.107 0.000 1.142 99 G CA -0.314 44.770 45.100 -0.026 0.000 0.759 99 G HN 0.363 nan 8.290 nan 0.000 0.550 100 L N -0.047 121.212 121.223 0.059 0.000 2.468 100 L HA 0.485 4.841 4.340 0.027 0.000 0.254 100 L C 0.072 176.929 176.870 -0.021 0.000 1.171 100 L CA -0.490 54.274 54.840 -0.127 0.000 0.809 100 L CB 1.082 42.864 42.059 -0.461 0.000 1.155 100 L HN -0.038 nan 8.230 nan 0.000 0.473 101 K N 0.357 120.660 120.400 -0.162 0.000 2.318 101 K HA 0.359 4.695 4.320 0.027 0.000 0.249 101 K C -1.113 175.391 176.600 -0.159 0.000 0.942 101 K CA -0.994 55.264 56.287 -0.047 0.000 0.808 101 K CB 2.008 34.496 32.500 -0.019 0.000 1.189 101 K HN 0.385 nan 8.250 nan 0.000 0.428 102 K N 1.783 122.210 120.400 0.045 0.000 2.382 102 K HA 0.227 4.564 4.320 0.027 0.000 0.275 102 K C -0.415 176.197 176.600 0.021 0.000 1.009 102 K CA -0.381 55.968 56.287 0.104 0.000 0.970 102 K CB 0.471 33.111 32.500 0.234 0.000 0.934 102 K HN 0.164 nan 8.250 nan 0.000 0.479 103 K N 2.482 122.894 120.400 0.020 0.000 2.422 103 K HA 0.186 4.522 4.320 0.027 0.000 0.251 103 K C 0.135 176.731 176.600 -0.006 0.000 0.933 103 K CA -0.807 55.477 56.287 -0.006 0.000 0.798 103 K CB 1.855 34.342 32.500 -0.023 0.000 1.238 103 K HN 0.539 nan 8.250 nan 0.000 0.428 104 K N 0.463 120.843 120.400 -0.034 0.000 2.209 104 K HA -0.058 4.278 4.320 0.027 0.000 0.204 104 K C 0.360 176.908 176.600 -0.086 0.000 1.048 104 K CA 1.084 57.344 56.287 -0.045 0.000 0.940 104 K CB 0.177 32.649 32.500 -0.047 0.000 0.729 104 K HN 0.739 nan 8.250 nan 0.000 0.451 105 S N -1.243 114.361 115.700 -0.160 0.000 2.543 105 S HA 0.485 4.971 4.470 0.027 0.000 0.274 105 S C -0.957 173.524 174.600 -0.199 0.000 1.149 105 S CA -1.199 56.871 58.200 -0.217 0.000 0.866 105 S CB 2.108 65.076 63.200 -0.386 0.000 1.111 105 S HN -0.166 nan 8.310 nan 0.000 0.457 106 V N 1.299 121.215 119.914 0.003 0.000 2.760 106 V HA 0.817 4.954 4.120 0.027 0.000 0.309 106 V C -0.663 175.633 176.094 0.336 0.000 1.077 106 V CA -0.478 61.945 62.300 0.204 0.000 0.910 106 V CB 2.132 34.168 31.823 0.354 0.000 1.008 106 V HN 1.107 nan 8.190 nan 0.000 0.424 107 T N 2.740 117.514 114.554 0.366 0.000 2.916 107 T HA 0.549 4.915 4.350 0.027 0.000 0.298 107 T C -1.019 173.768 174.700 0.144 0.000 1.031 107 T CA -0.502 61.781 62.100 0.305 0.000 0.993 107 T CB 2.072 71.093 68.868 0.255 0.000 1.045 107 T HN 0.601 nan 8.240 nan 0.000 0.454 108 V N 4.347 124.288 119.914 0.045 0.000 2.417 108 V HA 0.623 4.759 4.120 0.027 0.000 0.291 108 V C -1.369 174.625 176.094 -0.167 0.000 1.024 108 V CA -0.876 61.244 62.300 -0.300 0.000 0.861 108 V CB 0.813 32.175 31.823 -0.768 0.000 0.985 108 V HN 0.716 nan 8.190 nan 0.000 0.436 109 L N 6.106 127.227 121.223 -0.169 0.000 2.264 109 L HA 0.441 4.797 4.340 0.027 0.000 0.287 109 L C 0.018 176.836 176.870 -0.087 0.000 1.039 109 L CA -0.067 54.718 54.840 -0.092 0.000 0.829 109 L CB 1.048 43.062 42.059 -0.075 0.000 1.211 109 L HN 0.739 nan 8.230 nan 0.000 0.427 110 D N 2.233 122.600 120.400 -0.055 0.000 2.348 110 D HA 0.070 4.727 4.640 0.027 0.000 0.259 110 D C 0.827 177.130 176.300 0.005 0.000 1.296 110 D CA -0.175 53.808 54.000 -0.028 0.000 0.931 110 D CB 0.915 41.707 40.800 -0.014 0.000 1.067 110 D HN 0.318 nan 8.370 nan 0.000 0.503 111 V N 2.891 122.826 119.914 0.034 0.000 3.350 111 V HA 0.364 4.501 4.120 0.027 0.000 0.354 111 V C 1.730 177.865 176.094 0.068 0.000 1.257 111 V CA 0.037 62.383 62.300 0.078 0.000 1.323 111 V CB -0.578 31.337 31.823 0.153 0.000 1.201 111 V HN 0.567 nan 8.190 nan 0.000 0.447 112 G N 2.886 111.696 108.800 0.016 0.000 3.869 112 G HA2 -0.439 3.538 3.960 0.027 0.000 0.260 112 G HA3 -0.439 3.538 3.960 0.027 0.000 0.260 112 G C 0.785 175.651 174.900 -0.056 0.000 0.870 112 G CA 1.444 46.525 45.100 -0.031 0.000 0.731 112 G HN 0.935 nan 8.290 nan 0.000 1.403 113 D N 1.704 122.086 120.400 -0.031 0.000 3.008 113 D HA 0.426 5.082 4.640 0.027 0.000 0.242 113 D C 1.524 177.891 176.300 0.113 0.000 1.222 113 D CA 0.670 54.675 54.000 0.008 0.000 0.883 113 D CB 0.056 40.821 40.800 -0.058 0.000 1.110 113 D HN 0.435 nan 8.370 nan 0.000 0.455 114 A N -0.201 122.664 122.820 0.075 0.000 2.119 114 A HA -0.095 4.242 4.320 0.027 0.000 0.216 114 A C 1.440 179.064 177.584 0.067 0.000 1.152 114 A CA 0.217 52.331 52.037 0.128 0.000 0.708 114 A CB -0.575 18.582 19.000 0.262 0.000 0.805 114 A HN 0.247 nan 8.150 nan 0.000 0.460 115 Y N -0.791 119.333 120.300 -0.294 0.000 2.128 115 Y HA -0.174 4.392 4.550 0.027 0.000 0.284 115 Y C 1.516 177.354 175.900 -0.103 0.000 1.154 115 Y CA 1.350 59.266 58.100 -0.308 0.000 1.149 115 Y CB -0.718 37.601 38.460 -0.236 0.000 0.976 115 Y HN 0.391 nan 8.280 nan 0.000 0.505 116 F N -1.001 119.018 119.950 0.116 0.000 2.795 116 F HA 0.002 4.545 4.527 0.027 0.000 0.303 116 F C 1.911 177.773 175.800 0.104 0.000 1.186 116 F CA 0.448 58.519 58.000 0.118 0.000 1.415 116 F CB -0.359 38.711 39.000 0.117 0.000 1.106 116 F HN -0.101 nan 8.300 nan 0.000 0.558 117 S N -1.383 114.453 115.700 0.226 0.000 2.499 117 S HA 0.122 4.608 4.470 0.027 0.000 0.225 117 S C 0.679 175.370 174.600 0.150 0.000 1.050 117 S CA -0.081 58.231 58.200 0.187 0.000 0.928 117 S CB 0.246 63.560 63.200 0.189 0.000 0.803 117 S HN -0.081 nan 8.310 nan 0.000 0.506 118 V N 5.797 125.786 119.914 0.125 0.000 2.427 118 V HA 0.239 4.376 4.120 0.027 0.000 0.268 118 V C -2.278 173.850 176.094 0.056 0.000 1.046 118 V CA -2.080 60.275 62.300 0.092 0.000 0.970 118 V CB 0.272 32.148 31.823 0.088 0.000 1.001 118 V HN 0.210 nan 8.190 nan 0.000 0.476 119 P HA 0.092 nan 4.420 nan 0.000 0.267 119 P C -0.419 176.897 177.300 0.026 0.000 1.205 119 P CA -0.298 62.834 63.100 0.053 0.000 0.765 119 P CB 1.311 33.051 31.700 0.068 0.000 0.828 120 L N 3.146 124.372 121.223 0.005 0.000 2.456 120 L HA 0.279 4.635 4.340 0.027 0.000 0.257 120 L C 0.510 177.384 176.870 0.008 0.000 1.162 120 L CA -0.104 54.715 54.840 -0.034 0.000 0.808 120 L CB -0.070 41.926 42.059 -0.105 0.000 1.136 120 L HN 0.349 nan 8.230 nan 0.000 0.466 121 D N 2.070 122.478 120.400 0.013 0.000 2.363 121 D HA -0.054 4.602 4.640 0.027 0.000 0.263 121 D C 0.824 177.175 176.300 0.085 0.000 1.258 121 D CA -0.051 53.989 54.000 0.067 0.000 0.907 121 D CB 0.895 41.756 40.800 0.101 0.000 1.107 121 D HN 0.642 nan 8.370 nan 0.000 0.495 122 E N 3.927 124.164 120.200 0.062 0.000 2.108 122 E HA -0.296 4.071 4.350 0.027 0.000 0.203 122 E C 0.972 177.593 176.600 0.036 0.000 1.022 122 E CA 1.705 58.132 56.400 0.044 0.000 0.823 122 E CB -0.497 29.225 29.700 0.036 0.000 0.744 122 E HN 0.597 nan 8.360 nan 0.000 0.456 123 D N 0.571 121.005 120.400 0.057 0.000 2.092 123 D HA -0.138 4.518 4.640 0.027 0.000 0.193 123 D C 1.786 178.085 176.300 -0.001 0.000 0.994 123 D CA 1.236 55.256 54.000 0.035 0.000 0.828 123 D CB -0.607 40.242 40.800 0.081 0.000 0.963 123 D HN 0.180 nan 8.370 nan 0.000 0.450 124 F N 1.553 121.484 119.950 -0.032 0.000 2.216 124 F HA -0.111 4.433 4.527 0.027 0.000 0.300 124 F C 2.037 177.748 175.800 -0.149 0.000 1.085 124 F CA 1.148 59.148 58.000 -0.000 0.000 1.326 124 F CB 0.035 39.056 39.000 0.035 0.000 1.027 124 F HN -0.212 nan 8.300 nan 0.000 0.497 125 R N 0.774 121.289 120.500 0.025 0.000 2.165 125 R HA -0.307 4.050 4.340 0.027 0.000 0.254 125 R C 2.210 178.424 176.300 -0.144 0.000 1.153 125 R CA 2.424 58.507 56.100 -0.029 0.000 0.971 125 R CB -0.788 29.514 30.300 0.002 0.000 0.878 125 R HN 0.450 nan 8.270 nan 0.000 0.449 126 K N -0.258 119.963 120.400 -0.299 0.000 2.113 126 K HA -0.208 4.129 4.320 0.027 0.000 0.208 126 K C 1.488 177.900 176.600 -0.314 0.000 1.047 126 K CA 1.917 58.025 56.287 -0.299 0.000 0.928 126 K CB -0.523 31.766 32.500 -0.352 0.000 0.716 126 K HN 0.220 nan 8.250 nan 0.000 0.446 127 Y N 2.510 122.565 120.300 -0.408 0.000 2.497 127 Y HA -0.081 4.485 4.550 0.027 0.000 0.292 127 Y C 2.190 177.980 175.900 -0.183 0.000 1.137 127 Y CA 1.218 58.976 58.100 -0.569 0.000 1.285 127 Y CB -0.747 37.119 38.460 -0.991 0.000 0.991 127 Y HN 0.340 nan 8.280 nan 0.000 0.556 128 T N -2.202 112.396 114.554 0.073 0.000 3.272 128 T HA 0.466 4.832 4.350 0.027 0.000 0.250 128 T C 0.774 175.751 174.700 0.462 0.000 1.082 128 T CA -0.018 62.288 62.100 0.344 0.000 0.968 128 T CB -0.733 68.349 68.868 0.357 0.000 1.015 128 T HN 0.222 nan 8.240 nan 0.000 0.563 129 A N 1.844 124.835 122.820 0.284 0.000 2.524 129 A HA 0.539 4.876 4.320 0.027 0.000 0.250 129 A C -0.014 177.752 177.584 0.303 0.000 1.078 129 A CA -0.503 51.652 52.037 0.197 0.000 0.761 129 A CB -0.588 18.507 19.000 0.158 0.000 1.012 129 A HN 0.760 nan 8.150 nan 0.000 0.500 130 F N -0.111 119.940 119.950 0.169 0.000 2.675 130 F HA 0.900 5.444 4.527 0.027 0.000 0.324 130 F C -0.292 175.578 175.800 0.116 0.000 1.106 130 F CA -0.894 57.183 58.000 0.129 0.000 0.970 130 F CB 1.379 40.447 39.000 0.112 0.000 1.385 130 F HN 0.339 nan 8.300 nan 0.000 0.489 131 T N 2.523 117.312 114.554 0.392 0.000 2.933 131 T HA 0.514 4.881 4.350 0.027 0.000 0.305 131 T C -1.213 173.650 174.700 0.272 0.000 1.092 131 T CA -0.444 61.798 62.100 0.236 0.000 1.008 131 T CB 1.784 70.722 68.868 0.116 0.000 1.102 131 T HN 0.515 nan 8.240 nan 0.000 0.469 132 I N 5.196 125.903 120.570 0.228 0.000 2.307 132 I HA 0.311 4.497 4.170 0.027 0.000 0.287 132 I C -1.975 174.206 176.117 0.108 0.000 1.054 132 I CA -2.826 58.587 61.300 0.188 0.000 1.218 132 I CB 0.610 38.741 38.000 0.218 0.000 1.398 132 I HN 0.340 nan 8.210 nan 0.000 0.475 133 P HA 0.196 nan 4.420 nan 0.000 0.276 133 P C -0.087 177.242 177.300 0.048 0.000 1.252 133 P CA -0.261 62.880 63.100 0.067 0.000 0.802 133 P CB 1.660 33.410 31.700 0.082 0.000 1.035 134 S N -0.039 115.680 115.700 0.032 0.000 2.707 134 S HA 0.253 4.740 4.470 0.027 0.000 0.276 134 S C 1.451 176.065 174.600 0.023 0.000 1.179 134 S CA -0.795 57.417 58.200 0.020 0.000 0.992 134 S CB -0.011 63.194 63.200 0.010 0.000 1.030 134 S HN 0.274 nan 8.310 nan 0.000 0.554 135 I N 1.866 122.445 120.570 0.014 0.000 2.617 135 I HA 0.030 4.216 4.170 0.027 0.000 0.256 135 I C 0.663 176.790 176.117 0.016 0.000 1.167 135 I CA 1.006 62.315 61.300 0.016 0.000 1.469 135 I CB -1.552 36.453 38.000 0.007 0.000 1.098 135 I HN 0.733 nan 8.210 nan 0.000 0.436 143 R N 4.329 124.625 120.500 -0.339 0.000 2.500 143 R HA 0.801 5.157 4.340 0.027 0.000 0.277 143 R C -1.369 174.559 176.300 -0.620 0.000 1.026 143 R CA -0.797 55.100 56.100 -0.339 0.000 1.058 143 R CB 1.587 31.754 30.300 -0.222 0.000 1.078 143 R HN 0.478 nan 8.270 nan 0.000 0.509 144 Y N -0.568 119.356 120.300 -0.628 0.000 2.689 144 Y HA 0.236 4.802 4.550 0.027 0.000 0.333 144 Y C -0.643 174.760 175.900 -0.828 0.000 1.190 144 Y CA -0.883 56.739 58.100 -0.797 0.000 1.063 144 Y CB 2.200 39.983 38.460 -1.127 0.000 1.294 144 Y HN 0.533 nan 8.280 nan 0.000 0.466 145 Q N -0.595 119.033 119.800 -0.286 0.000 2.472 145 Q HA 0.517 4.874 4.340 0.027 0.000 0.281 145 Q C -2.335 173.707 176.000 0.069 0.000 0.997 145 Q CA -1.076 54.708 55.803 -0.032 0.000 0.828 145 Q CB 1.877 30.618 28.738 0.004 0.000 1.443 145 Q HN 0.562 nan 8.270 nan 0.000 0.390 146 Y N 1.570 121.989 120.300 0.198 0.000 2.319 146 Y HA 0.276 4.843 4.550 0.027 0.000 0.328 146 Y C 0.773 176.705 175.900 0.053 0.000 1.133 146 Y CA -0.010 58.181 58.100 0.153 0.000 1.265 146 Y CB 1.004 39.541 38.460 0.129 0.000 1.218 146 Y HN 0.718 nan 8.280 nan 0.000 0.508 147 N N 1.112 119.928 118.700 0.193 0.000 2.220 147 N HA 0.087 4.844 4.740 0.027 0.000 0.195 147 N C -0.581 174.985 175.510 0.093 0.000 1.123 147 N CA 0.339 53.456 53.050 0.111 0.000 0.874 147 N CB 1.305 39.847 38.487 0.091 0.000 0.995 147 N HN 0.353 nan 8.380 nan 0.000 0.498 148 V N 0.857 120.841 119.914 0.116 0.000 3.141 148 V HA 0.392 4.529 4.120 0.027 0.000 0.312 148 V C -0.728 175.304 176.094 -0.103 0.000 1.157 148 V CA -1.044 61.278 62.300 0.035 0.000 1.041 148 V CB 2.379 34.258 31.823 0.093 0.000 1.071 148 V HN -0.053 nan 8.190 nan 0.000 0.441 149 L N 4.640 125.760 121.223 -0.171 0.000 2.660 149 L HA 0.163 4.519 4.340 0.027 0.000 0.272 149 L C -2.248 174.316 176.870 -0.511 0.000 1.194 149 L CA -0.867 53.827 54.840 -0.245 0.000 0.945 149 L CB 0.024 41.966 42.059 -0.195 0.000 1.212 149 L HN 0.481 nan 8.230 nan 0.000 0.490 150 P HA 0.150 nan 4.420 nan 0.000 0.286 150 P C -0.739 176.387 177.300 -0.289 0.000 1.269 150 P CA -0.698 61.937 63.100 -0.775 0.000 0.787 150 P CB 0.901 31.990 31.700 -1.018 0.000 0.920 151 Q N 2.331 122.052 119.800 -0.131 0.000 2.274 151 Q HA 0.355 4.711 4.340 0.027 0.000 0.280 151 Q C 1.342 177.492 176.000 0.250 0.000 1.047 151 Q CA 1.943 57.855 55.803 0.181 0.000 0.907 151 Q CB -0.625 28.325 28.738 0.353 0.000 1.171 151 Q HN 0.798 nan 8.270 nan 0.000 0.381 152 G N 2.940 111.868 108.800 0.213 0.000 2.232 152 G HA2 -0.272 3.704 3.960 0.027 0.000 0.226 152 G HA3 -0.272 3.704 3.960 0.027 0.000 0.226 152 G C -0.556 174.489 174.900 0.242 0.000 0.996 152 G CA -0.135 45.120 45.100 0.260 0.000 0.626 152 G HN 0.663 nan 8.290 nan 0.000 0.509 153 W N 2.971 124.186 121.300 -0.142 0.000 2.266 153 W HA 0.600 5.276 4.660 0.028 0.000 0.317 153 W C 1.381 177.771 176.519 -0.216 0.000 1.310 153 W CA -0.189 56.943 57.345 -0.355 0.000 1.207 153 W CB 0.859 29.917 29.460 -0.671 0.000 1.199 153 W HN 0.181 nan 8.180 nan 0.000 0.544 154 K N 3.242 123.178 120.400 -0.772 0.000 2.097 154 K HA -0.238 4.098 4.320 0.027 0.000 0.214 154 K C 1.825 177.745 176.600 -1.134 0.000 1.052 154 K CA 2.297 58.134 56.287 -0.750 0.000 0.932 154 K CB -0.723 31.491 32.500 -0.476 0.000 0.716 154 K HN 0.774 nan 8.250 nan 0.000 0.455 155 G N -0.550 106.924 108.800 -2.210 0.000 2.650 155 G HA2 -0.110 3.866 3.960 0.027 0.000 0.214 155 G HA3 -0.110 3.866 3.960 0.027 0.000 0.214 155 G C 1.273 175.292 174.900 -1.468 0.000 1.136 155 G CA 0.533 44.241 45.100 -2.321 0.000 0.789 155 G HN 0.297 nan 8.290 nan 0.000 0.536 156 S N 1.852 116.973 115.700 -0.965 0.000 2.359 156 S HA -0.111 4.375 4.470 0.027 0.000 0.222 156 S C 0.177 174.420 174.600 -0.595 0.000 1.038 156 S CA 1.663 59.564 58.200 -0.497 0.000 1.051 156 S CB -0.910 62.129 63.200 -0.269 0.000 0.944 156 S HN 0.304 nan 8.310 nan 0.000 0.433 157 P HA -0.057 nan 4.420 nan 0.000 0.215 157 P C 1.511 178.639 177.300 -0.287 0.000 1.153 157 P CA 1.538 64.454 63.100 -0.307 0.000 0.853 157 P CB -0.151 31.445 31.700 -0.174 0.000 0.788 158 A N -0.355 122.206 122.820 -0.432 0.000 1.841 158 A HA -0.218 4.119 4.320 0.027 0.000 0.216 158 A C 2.232 179.628 177.584 -0.314 0.000 1.199 158 A CA 1.864 53.666 52.037 -0.390 0.000 0.621 158 A CB -1.729 16.892 19.000 -0.631 0.000 0.835 158 A HN 0.088 nan 8.150 nan 0.000 0.445 159 I N -1.812 118.520 120.570 -0.397 0.000 2.208 159 I HA -0.257 3.929 4.170 0.027 0.000 0.245 159 I C 2.398 178.420 176.117 -0.158 0.000 1.097 159 I CA 1.775 62.941 61.300 -0.224 0.000 1.363 159 I CB -0.441 37.449 38.000 -0.183 0.000 1.051 159 I HN 0.440 nan 8.210 nan 0.000 0.413 160 F N 1.810 121.544 119.950 -0.359 0.000 2.126 160 F HA -0.294 4.249 4.527 0.027 0.000 0.299 160 F C 2.539 178.196 175.800 -0.238 0.000 1.096 160 F CA 1.921 59.718 58.000 -0.338 0.000 1.255 160 F CB -0.473 38.200 39.000 -0.546 0.000 0.997 160 F HN 0.004 nan 8.300 nan 0.000 0.479 161 Q N 0.521 120.112 119.800 -0.348 0.000 1.967 161 Q HA -0.180 4.176 4.340 0.027 0.000 0.202 161 Q C 2.620 178.431 176.000 -0.315 0.000 0.985 161 Q CA 2.862 58.444 55.803 -0.369 0.000 0.839 161 Q CB -0.625 27.996 28.738 -0.196 0.000 0.906 161 Q HN 0.522 nan 8.270 nan 0.000 0.423 162 S N -0.790 114.786 115.700 -0.206 0.000 2.402 162 S HA -0.198 4.288 4.470 0.027 0.000 0.233 162 S C 2.115 176.598 174.600 -0.195 0.000 1.030 162 S CA 1.415 59.523 58.200 -0.152 0.000 1.003 162 S CB -0.595 62.554 63.200 -0.084 0.000 0.813 162 S HN 0.253 nan 8.310 nan 0.000 0.477 163 S N 1.843 117.397 115.700 -0.245 0.000 2.348 163 S HA -0.034 4.452 4.470 0.027 0.000 0.221 163 S C 1.864 176.252 174.600 -0.353 0.000 1.033 163 S CA 1.579 59.620 58.200 -0.264 0.000 1.010 163 S CB -0.521 62.542 63.200 -0.228 0.000 0.891 163 S HN 0.464 nan 8.310 nan 0.000 0.442 164 M N 2.093 121.412 119.600 -0.468 0.000 2.149 164 M HA -0.107 4.390 4.480 0.027 0.000 0.261 164 M C 1.935 178.043 176.300 -0.319 0.000 1.064 164 M CA 1.577 56.602 55.300 -0.459 0.000 1.102 164 M CB -1.381 30.863 32.600 -0.593 0.000 1.369 164 M HN 0.263 nan 8.290 nan 0.000 0.408 165 T N 0.576 114.976 114.554 -0.257 0.000 2.652 165 T HA -0.172 4.195 4.350 0.027 0.000 0.267 165 T C 1.897 176.513 174.700 -0.139 0.000 1.039 165 T CA 1.522 63.526 62.100 -0.159 0.000 1.153 165 T CB -0.238 68.561 68.868 -0.116 0.000 0.863 165 T HN 0.309 nan 8.240 nan 0.000 0.428 166 K N 1.003 121.302 120.400 -0.168 0.000 1.978 166 K HA 0.012 4.348 4.320 0.027 0.000 0.214 166 K C 2.339 178.823 176.600 -0.194 0.000 1.049 166 K CA 1.225 57.420 56.287 -0.154 0.000 0.939 166 K CB -0.885 31.509 32.500 -0.178 0.000 0.721 166 K HN 0.386 nan 8.250 nan 0.000 0.441 167 I N 1.081 121.429 120.570 -0.369 0.000 2.236 167 I HA -0.303 3.883 4.170 0.027 0.000 0.249 167 I C 2.003 178.006 176.117 -0.190 0.000 1.102 167 I CA 1.060 62.052 61.300 -0.514 0.000 1.365 167 I CB -0.294 37.232 38.000 -0.790 0.000 1.051 167 I HN 0.030 nan 8.210 nan 0.000 0.420 168 L N 0.118 121.256 121.223 -0.142 0.000 2.418 168 L HA -0.051 4.306 4.340 0.027 0.000 0.218 168 L C 2.358 179.307 176.870 0.132 0.000 1.125 168 L CA 1.233 56.080 54.840 0.011 0.000 0.835 168 L CB -0.953 41.070 42.059 -0.061 0.000 0.953 168 L HN 0.248 nan 8.230 nan 0.000 0.454 169 E N 0.843 121.083 120.200 0.067 0.000 2.065 169 E HA -0.235 4.131 4.350 0.027 0.000 0.201 169 E C -0.611 176.062 176.600 0.121 0.000 1.016 169 E CA 1.962 58.408 56.400 0.077 0.000 0.818 169 E CB -0.669 29.054 29.700 0.037 0.000 0.749 169 E HN 0.315 nan 8.360 nan 0.000 0.453 170 P HA -0.170 nan 4.420 nan 0.000 0.214 170 P C 1.620 179.003 177.300 0.139 0.000 1.162 170 P CA 1.135 64.314 63.100 0.132 0.000 0.879 170 P CB -0.475 31.310 31.700 0.141 0.000 0.786 171 F N 1.568 121.586 119.950 0.114 0.000 2.120 171 F HA -0.186 4.358 4.527 0.027 0.000 0.300 171 F C 2.534 178.379 175.800 0.076 0.000 1.095 171 F CA 1.648 59.715 58.000 0.112 0.000 1.249 171 F CB -0.447 38.728 39.000 0.292 0.000 0.995 171 F HN -0.263 nan 8.300 nan 0.000 0.480 172 R N 0.117 120.795 120.500 0.296 0.000 2.073 172 R HA -0.140 4.216 4.340 0.027 0.000 0.234 172 R C 2.275 178.606 176.300 0.051 0.000 1.134 172 R CA 1.430 57.638 56.100 0.180 0.000 0.952 172 R CB -0.427 29.963 30.300 0.150 0.000 0.850 172 R HN 0.186 nan 8.270 nan 0.000 0.433 173 K N 1.114 121.537 120.400 0.038 0.000 2.032 173 K HA -0.190 4.146 4.320 0.027 0.000 0.209 173 K C 2.090 178.663 176.600 -0.045 0.000 1.048 173 K CA 1.542 57.831 56.287 0.003 0.000 0.927 173 K CB -0.209 32.299 32.500 0.012 0.000 0.712 173 K HN 0.367 nan 8.250 nan 0.000 0.441 174 Q N 0.241 119.983 119.800 -0.096 0.000 2.226 174 Q HA -0.047 4.309 4.340 0.027 0.000 0.204 174 Q C 0.139 176.010 176.000 -0.215 0.000 0.975 174 Q CA 0.727 56.430 55.803 -0.167 0.000 0.866 174 Q CB 0.109 28.700 28.738 -0.246 0.000 0.915 174 Q HN 0.277 nan 8.270 nan 0.000 0.440 175 N N 0.440 118.998 118.700 -0.237 0.000 2.791 175 N HA 0.130 4.886 4.740 0.027 0.000 0.265 175 N C -2.354 173.129 175.510 -0.045 0.000 1.580 175 N CA -0.801 52.135 53.050 -0.190 0.000 0.809 175 N CB 1.361 39.629 38.487 -0.365 0.000 1.178 175 N HN 0.102 nan 8.380 nan 0.000 0.499 176 P HA -0.064 nan 4.420 nan 0.000 0.234 176 P C 0.193 177.509 177.300 0.027 0.000 1.167 176 P CA 0.936 64.044 63.100 0.013 0.000 0.763 176 P CB 0.262 31.964 31.700 0.003 0.000 0.835 177 D N -1.013 119.402 120.400 0.025 0.000 2.349 177 D HA 0.073 4.729 4.640 0.027 0.000 0.214 177 D C 0.636 176.978 176.300 0.070 0.000 1.063 177 D CA -0.216 53.807 54.000 0.038 0.000 0.847 177 D CB -0.384 40.433 40.800 0.028 0.000 0.933 177 D HN 0.221 nan 8.370 nan 0.000 0.513 178 I N 0.888 121.516 120.570 0.097 0.000 2.404 178 I HA 0.266 4.452 4.170 0.027 0.000 0.293 178 I C -0.612 175.595 176.117 0.151 0.000 0.992 178 I CA -1.236 60.159 61.300 0.157 0.000 1.149 178 I CB 2.482 40.631 38.000 0.248 0.000 1.315 178 I HN -0.286 nan 8.210 nan 0.000 0.446 179 V N 7.509 127.505 119.914 0.137 0.000 2.370 179 V HA 0.450 4.587 4.120 0.027 0.000 0.279 179 V C 0.116 176.291 176.094 0.135 0.000 1.029 179 V CA -0.343 62.026 62.300 0.113 0.000 0.870 179 V CB 1.397 33.261 31.823 0.069 0.000 0.984 179 V HN 0.465 nan 8.190 nan 0.000 0.451 180 I N 4.994 125.644 120.570 0.133 0.000 2.562 180 I HA 0.531 4.717 4.170 0.027 0.000 0.301 180 I C -1.174 175.050 176.117 0.179 0.000 1.003 180 I CA -0.932 60.445 61.300 0.129 0.000 1.127 180 I CB 2.013 40.059 38.000 0.076 0.000 1.304 180 I HN 0.620 nan 8.210 nan 0.000 0.446 181 Y N 5.085 125.409 120.300 0.040 0.000 2.330 181 Y HA 0.325 4.891 4.550 0.028 0.000 0.324 181 Y C -1.028 174.930 175.900 0.097 0.000 1.093 181 Y CA -0.714 57.398 58.100 0.021 0.000 1.103 181 Y CB 1.304 39.720 38.460 -0.073 0.000 1.183 181 Y HN 0.572 nan 8.280 nan 0.000 0.433 182 Q N 5.243 124.769 119.800 -0.456 0.000 2.241 182 Q HA 0.398 4.755 4.340 0.027 0.000 0.254 182 Q C -2.114 173.540 176.000 -0.577 0.000 0.917 182 Q CA -0.855 54.712 55.803 -0.394 0.000 0.919 182 Q CB 1.516 30.120 28.738 -0.224 0.000 1.237 182 Q HN 0.776 nan 8.270 nan 0.000 0.434 183 Y N 6.481 126.555 120.300 -0.376 0.000 2.307 183 Y HA 0.235 4.802 4.550 0.028 0.000 0.323 183 Y C -0.149 175.790 175.900 0.065 0.000 1.100 183 Y CA -0.457 57.547 58.100 -0.159 0.000 1.140 183 Y CB 0.570 39.001 38.460 -0.049 0.000 1.159 183 Y HN 0.936 nan 8.280 nan 0.000 0.436 184 M N 1.843 121.207 119.600 -0.393 0.000 7.319 184 M HA -0.349 4.147 4.480 0.027 0.000 0.299 184 M C 0.364 176.745 176.300 0.135 0.000 0.480 184 M CA 2.458 57.638 55.300 -0.200 0.000 1.311 184 M CB -1.463 30.917 32.600 -0.367 0.000 0.421 184 M HN 0.803 nan 8.290 nan 0.000 0.612 185 D N 0.227 120.694 120.400 0.111 0.000 2.402 185 D HA 0.321 4.977 4.640 0.027 0.000 0.216 185 D C -0.438 175.931 176.300 0.115 0.000 1.128 185 D CA -0.058 54.054 54.000 0.187 0.000 0.833 185 D CB 0.063 40.880 40.800 0.028 0.000 0.971 185 D HN 0.241 nan 8.370 nan 0.000 0.503 186 D N 0.535 120.995 120.400 0.101 0.000 2.163 186 D HA 0.347 5.004 4.640 0.027 0.000 0.248 186 D C -0.881 175.401 176.300 -0.030 0.000 1.035 186 D CA -0.573 53.431 54.000 0.007 0.000 0.872 186 D CB 2.171 43.011 40.800 0.067 0.000 1.183 186 D HN -0.010 nan 8.370 nan 0.000 0.445 187 L N 3.439 124.559 121.223 -0.172 0.000 2.366 187 L HA 0.262 4.619 4.340 0.027 0.000 0.266 187 L C -1.476 175.285 176.870 -0.182 0.000 1.010 187 L CA -0.662 54.108 54.840 -0.117 0.000 0.879 187 L CB 0.296 42.294 42.059 -0.101 0.000 1.228 187 L HN 0.222 nan 8.230 nan 0.000 0.439 188 Y N 3.712 123.957 120.300 -0.092 0.000 2.393 188 Y HA 0.481 5.047 4.550 0.028 0.000 0.338 188 Y C 0.237 176.150 175.900 0.022 0.000 1.029 188 Y CA -0.424 57.639 58.100 -0.061 0.000 1.239 188 Y CB 0.935 39.344 38.460 -0.085 0.000 1.170 188 Y HN 0.217 nan 8.280 nan 0.000 0.515 189 V N 3.461 123.470 119.914 0.159 0.000 2.444 189 V HA 0.820 4.957 4.120 0.027 0.000 0.294 189 V C 0.304 176.543 176.094 0.242 0.000 1.022 189 V CA -0.774 61.633 62.300 0.178 0.000 0.850 189 V CB 1.370 33.271 31.823 0.130 0.000 0.992 189 V HN 0.915 nan 8.190 nan 0.000 0.426 190 G N 2.671 111.588 108.800 0.194 0.000 2.600 190 G HA2 0.914 4.891 3.960 0.027 0.000 0.303 190 G HA3 0.914 4.891 3.960 0.027 0.000 0.303 190 G C -0.665 174.300 174.900 0.108 0.000 1.253 190 G CA -0.083 45.094 45.100 0.129 0.000 0.974 190 G HN 1.145 nan 8.290 nan 0.000 0.483 191 S N -1.543 114.159 115.700 0.004 0.000 2.656 191 S HA 0.456 4.942 4.470 0.027 0.000 0.265 191 S C -1.412 173.170 174.600 -0.031 0.000 1.132 191 S CA -0.717 57.498 58.200 0.024 0.000 0.819 191 S CB 1.825 65.103 63.200 0.131 0.000 1.119 191 S HN 0.387 nan 8.310 nan 0.000 0.476 192 D N 0.540 120.942 120.400 0.002 0.000 2.571 192 D HA 0.339 4.996 4.640 0.027 0.000 0.239 192 D C -0.048 176.257 176.300 0.008 0.000 1.267 192 D CA 0.010 54.007 54.000 -0.005 0.000 0.823 192 D CB 0.387 41.188 40.800 0.002 0.000 1.056 192 D HN 0.388 nan 8.370 nan 0.000 0.494 193 L N 0.707 121.947 121.223 0.028 0.000 2.456 193 L HA 0.224 4.580 4.340 0.027 0.000 0.257 193 L C 1.076 177.972 176.870 0.043 0.000 1.162 193 L CA -0.528 54.343 54.840 0.051 0.000 0.808 193 L CB 0.903 43.022 42.059 0.100 0.000 1.136 193 L HN -0.083 nan 8.230 nan 0.000 0.466 194 E N 1.356 121.585 120.200 0.048 0.000 2.392 194 E HA 0.006 4.373 4.350 0.027 0.000 0.264 194 E C 1.184 177.829 176.600 0.074 0.000 1.024 194 E CA -0.297 56.129 56.400 0.043 0.000 0.903 194 E CB 1.023 30.744 29.700 0.035 0.000 0.963 194 E HN 0.596 nan 8.360 nan 0.000 0.432 195 I N 2.506 123.115 120.570 0.065 0.000 2.147 195 I HA -0.301 3.886 4.170 0.027 0.000 0.245 195 I C 1.864 178.055 176.117 0.123 0.000 1.059 195 I CA 2.016 63.377 61.300 0.101 0.000 1.320 195 I CB -1.062 36.977 38.000 0.065 0.000 1.021 195 I HN 0.591 nan 8.210 nan 0.000 0.415 196 G N -0.025 108.822 108.800 0.078 0.000 2.421 196 G HA2 -0.240 3.737 3.960 0.027 0.000 0.216 196 G HA3 -0.240 3.737 3.960 0.027 0.000 0.216 196 G C 1.644 176.586 174.900 0.069 0.000 1.171 196 G CA 0.655 45.793 45.100 0.063 0.000 0.775 196 G HN 0.408 nan 8.290 nan 0.000 0.543 197 Q N -0.026 119.821 119.800 0.079 0.000 2.050 197 Q HA -0.141 4.215 4.340 0.027 0.000 0.202 197 Q C 2.240 178.304 176.000 0.105 0.000 0.980 197 Q CA 1.880 57.730 55.803 0.078 0.000 0.840 197 Q CB -0.551 28.231 28.738 0.074 0.000 0.898 197 Q HN 0.713 nan 8.270 nan 0.000 0.424 198 H N 0.739 119.838 119.070 0.049 0.000 2.289 198 H HA -0.103 4.469 4.556 0.028 0.000 0.296 198 H C 2.082 177.451 175.328 0.067 0.000 1.091 198 H CA 2.437 58.523 56.048 0.063 0.000 1.274 198 H CB -0.105 29.692 29.762 0.057 0.000 1.364 198 H HN 0.073 nan 8.280 nan 0.000 0.490 199 R N -0.323 120.171 120.500 -0.011 0.000 2.103 199 R HA -0.159 4.197 4.340 0.027 0.000 0.242 199 R C 1.897 178.164 176.300 -0.055 0.000 1.142 199 R CA 2.118 58.183 56.100 -0.058 0.000 0.960 199 R CB -0.581 29.732 30.300 0.022 0.000 0.858 199 R HN 0.463 nan 8.270 nan 0.000 0.439 200 T N 1.463 116.012 114.554 -0.009 0.000 2.674 200 T HA -0.084 4.282 4.350 0.027 0.000 0.265 200 T C 1.759 176.476 174.700 0.028 0.000 1.039 200 T CA 1.223 63.331 62.100 0.014 0.000 1.150 200 T CB -0.077 68.808 68.868 0.028 0.000 0.864 200 T HN 0.189 nan 8.240 nan 0.000 0.427 201 K N 0.996 121.416 120.400 0.034 0.000 2.103 201 K HA 0.008 4.345 4.320 0.027 0.000 0.207 201 K C 2.228 178.905 176.600 0.129 0.000 1.048 201 K CA 0.775 57.134 56.287 0.120 0.000 0.930 201 K CB -0.685 31.900 32.500 0.141 0.000 0.716 201 K HN 0.317 nan 8.250 nan 0.000 0.444 202 I N 1.157 121.694 120.570 -0.055 0.000 2.127 202 I HA -0.253 3.934 4.170 0.027 0.000 0.241 202 I C 2.380 178.481 176.117 -0.027 0.000 1.075 202 I CA 1.392 62.634 61.300 -0.096 0.000 1.334 202 I CB -1.037 36.845 38.000 -0.197 0.000 1.040 202 I HN 0.197 nan 8.210 nan 0.000 0.405 203 E N 1.244 121.440 120.200 -0.006 0.000 2.085 203 E HA -0.272 4.095 4.350 0.027 0.000 0.194 203 E C 2.149 178.790 176.600 0.068 0.000 0.994 203 E CA 1.759 58.171 56.400 0.021 0.000 0.801 203 E CB -0.265 29.447 29.700 0.020 0.000 0.743 203 E HN 0.465 nan 8.360 nan 0.000 0.453 204 E N -0.199 120.075 120.200 0.122 0.000 2.118 204 E HA -0.200 4.166 4.350 0.027 0.000 0.195 204 E C 2.197 178.977 176.600 0.300 0.000 0.992 204 E CA 1.121 57.649 56.400 0.213 0.000 0.804 204 E CB -0.226 29.626 29.700 0.254 0.000 0.741 204 E HN 0.401 nan 8.360 nan 0.000 0.458 205 L N 0.571 121.908 121.223 0.190 0.000 2.027 205 L HA -0.160 4.196 4.340 0.027 0.000 0.206 205 L C 2.872 179.685 176.870 -0.094 0.000 1.074 205 L CA 1.299 55.998 54.840 -0.236 0.000 0.745 205 L CB -0.279 41.405 42.059 -0.624 0.000 0.898 205 L HN 0.136 nan 8.230 nan 0.000 0.433 206 R N -0.473 119.998 120.500 -0.048 0.000 2.117 206 R HA -0.229 4.127 4.340 0.027 0.000 0.243 206 R C 2.210 178.535 176.300 0.041 0.000 1.143 206 R CA 1.948 58.036 56.100 -0.019 0.000 0.968 206 R CB -0.100 30.195 30.300 -0.008 0.000 0.863 206 R HN 0.557 nan 8.270 nan 0.000 0.444 207 Q N -1.378 118.474 119.800 0.086 0.000 2.123 207 Q HA -0.182 4.175 4.340 0.027 0.000 0.199 207 Q C 1.971 178.087 176.000 0.192 0.000 0.966 207 Q CA 1.220 57.092 55.803 0.115 0.000 0.845 207 Q CB -0.175 28.626 28.738 0.105 0.000 0.907 207 Q HN 0.471 nan 8.270 nan 0.000 0.439 208 H N 1.358 120.500 119.070 0.120 0.000 2.353 208 H HA -0.059 4.513 4.556 0.027 0.000 0.300 208 H C 1.766 177.251 175.328 0.262 0.000 1.090 208 H CA 1.403 57.569 56.048 0.197 0.000 1.327 208 H CB -0.257 29.653 29.762 0.247 0.000 1.383 208 H HN 0.127 nan 8.280 nan 0.000 0.508 209 L N -0.657 120.591 121.223 0.042 0.000 2.027 209 L HA -0.127 4.230 4.340 0.027 0.000 0.206 209 L C 2.520 179.489 176.870 0.165 0.000 1.074 209 L CA 0.836 55.680 54.840 0.007 0.000 0.745 209 L CB -0.485 41.532 42.059 -0.071 0.000 0.898 209 L HN 0.246 nan 8.230 nan 0.000 0.433 210 L N 0.108 121.405 121.223 0.123 0.000 2.187 210 L HA -0.195 4.161 4.340 0.027 0.000 0.213 210 L C 2.505 179.442 176.870 0.111 0.000 1.100 210 L CA 1.504 56.408 54.840 0.108 0.000 0.765 210 L CB -0.529 41.576 42.059 0.076 0.000 0.904 210 L HN 0.065 nan 8.230 nan 0.000 0.437 211 R N -1.660 118.916 120.500 0.128 0.000 2.285 211 R HA -0.133 4.223 4.340 0.027 0.000 0.213 211 R C 0.593 176.785 176.300 -0.179 0.000 1.068 211 R CA 0.834 56.918 56.100 -0.027 0.000 1.004 211 R CB -0.509 29.766 30.300 -0.042 0.000 0.873 211 R HN 0.487 nan 8.270 nan 0.000 0.467 212 W N -1.353 119.972 121.300 0.042 0.000 2.693 212 W HA 0.376 5.053 4.660 0.028 0.000 0.415 212 W C 1.094 177.634 176.519 0.036 0.000 0.932 212 W CA 0.121 57.486 57.345 0.034 0.000 2.200 212 W CB 0.253 29.719 29.460 0.009 0.000 1.188 212 W HN 0.167 nan 8.180 nan 0.000 0.665 213 G N 0.719 109.632 108.800 0.188 0.000 2.189 213 G HA2 -0.348 3.629 3.960 0.027 0.000 0.267 213 G HA3 -0.348 3.629 3.960 0.027 0.000 0.267 213 G C 0.243 175.229 174.900 0.142 0.000 0.975 213 G CA 0.074 45.260 45.100 0.143 0.000 0.644 213 G HN 0.220 nan 8.290 nan 0.000 0.537 214 L N 2.344 123.664 121.223 0.162 0.000 2.462 214 L HA 0.317 4.674 4.340 0.027 0.000 0.283 214 L C 1.278 178.204 176.870 0.093 0.000 1.166 214 L CA 0.173 55.091 54.840 0.130 0.000 0.964 214 L CB 0.435 42.562 42.059 0.114 0.000 1.294 214 L HN 0.238 nan 8.230 nan 0.000 0.449 215 T N 2.338 116.943 114.554 0.084 0.000 2.916 215 T HA 0.229 4.596 4.350 0.027 0.000 0.303 215 T C 0.184 174.915 174.700 0.052 0.000 1.025 215 T CA 0.101 62.239 62.100 0.062 0.000 1.142 215 T CB 0.351 69.252 68.868 0.056 0.000 0.947 215 T HN 0.578 nan 8.240 nan 0.000 0.544 216 T N 7.045 121.623 114.554 0.040 0.000 2.906 216 T HA 0.605 4.972 4.350 0.027 0.000 0.295 216 T C -2.570 172.151 174.700 0.034 0.000 1.061 216 T CA -0.983 61.134 62.100 0.029 0.000 1.000 216 T CB 1.926 70.800 68.868 0.010 0.000 1.103 216 T HN 0.563 nan 8.240 nan 0.000 0.486 217 P HA 0.220 nan 4.420 nan 0.000 0.272 217 P C -0.834 176.492 177.300 0.043 0.000 1.230 217 P CA -0.379 62.760 63.100 0.065 0.000 0.788 217 P CB 0.619 32.372 31.700 0.088 0.000 0.949 218 D N 1.120 121.541 120.400 0.034 0.000 2.423 218 D HA 0.079 4.735 4.640 0.027 0.000 0.255 218 D C 1.017 177.302 176.300 -0.025 0.000 1.174 218 D CA -0.538 53.454 54.000 -0.013 0.000 1.008 218 D CB 0.858 41.629 40.800 -0.049 0.000 1.101 218 D HN 0.030 nan 8.370 nan 0.000 0.516 219 K N 0.231 120.610 120.400 -0.034 0.000 2.089 219 K HA -0.225 4.111 4.320 0.027 0.000 0.210 219 K C 1.898 178.471 176.600 -0.045 0.000 1.048 219 K CA 1.704 57.977 56.287 -0.023 0.000 0.926 219 K CB -0.283 32.205 32.500 -0.021 0.000 0.714 219 K HN 0.489 nan 8.250 nan 0.000 0.448 220 K N -0.772 119.545 120.400 -0.138 0.000 2.360 220 K HA -0.153 4.184 4.320 0.027 0.000 0.201 220 K C 0.139 176.620 176.600 -0.199 0.000 1.046 220 K CA 1.214 57.359 56.287 -0.236 0.000 0.945 220 K CB 0.042 32.286 32.500 -0.427 0.000 0.750 220 K HN 0.307 nan 8.250 nan 0.000 0.464 221 H N -0.301 118.779 119.070 0.016 0.000 2.637 221 H HA 0.258 4.830 4.556 0.027 0.000 0.245 221 H C -0.738 174.603 175.328 0.021 0.000 1.190 221 H CA -0.304 55.754 56.048 0.017 0.000 0.934 221 H CB 0.354 30.123 29.762 0.012 0.000 1.950 221 H HN 0.171 nan 8.280 nan 0.000 0.614 222 Q N 0.907 120.779 119.800 0.121 0.000 2.274 222 Q HA 0.386 4.742 4.340 0.027 0.000 0.260 222 Q C -0.087 175.976 176.000 0.104 0.000 0.974 222 Q CA -0.645 55.213 55.803 0.092 0.000 0.876 222 Q CB 2.457 31.234 28.738 0.066 0.000 1.297 222 Q HN 0.139 nan 8.270 nan 0.000 0.446 223 K N 1.528 121.999 120.400 0.119 0.000 2.168 223 K HA 0.298 4.634 4.320 0.027 0.000 0.258 223 K C -0.367 176.366 176.600 0.222 0.000 1.010 223 K CA -0.097 56.292 56.287 0.170 0.000 0.929 223 K CB 0.761 33.390 32.500 0.216 0.000 0.998 223 K HN 0.510 nan 8.250 nan 0.000 0.479 224 E N 0.486 120.781 120.200 0.159 0.000 2.446 224 E HA 0.300 4.666 4.350 0.027 0.000 0.276 224 E C -2.682 173.642 176.600 -0.459 0.000 0.969 224 E CA -2.157 54.233 56.400 -0.015 0.000 0.800 224 E CB 1.656 31.341 29.700 -0.025 0.000 1.341 224 E HN 0.285 nan 8.360 nan 0.000 0.460 225 P HA 0.098 nan 4.420 nan 0.000 0.270 225 P C -2.454 174.601 177.300 -0.409 0.000 1.223 225 P CA -0.699 61.849 63.100 -0.920 0.000 0.785 225 P CB -0.247 31.112 31.700 -0.568 0.000 0.923 226 P HA 0.199 nan 4.420 nan 0.000 0.272 226 P C -1.042 176.215 177.300 -0.072 0.000 1.230 226 P CA 0.286 63.325 63.100 -0.103 0.000 0.788 226 P CB 0.267 32.053 31.700 0.143 0.000 0.949 227 F N 0.968 121.096 119.950 0.296 0.000 2.467 227 F HA 0.267 4.810 4.527 0.027 0.000 0.336 227 F C 0.086 176.080 175.800 0.323 0.000 1.123 227 F CA -0.969 57.209 58.000 0.298 0.000 0.964 227 F CB 0.945 40.129 39.000 0.306 0.000 1.136 227 F HN 0.068 nan 8.300 nan 0.000 0.447 228 L N 4.728 126.260 121.223 0.515 0.000 2.342 228 L HA 0.115 4.471 4.340 0.027 0.000 0.285 228 L C -0.900 176.246 176.870 0.459 0.000 1.095 228 L CA 0.163 55.240 54.840 0.396 0.000 0.843 228 L CB 0.036 42.261 42.059 0.276 0.000 1.201 228 L HN 0.763 nan 8.230 nan 0.000 0.445 229 W N 8.195 129.605 121.300 0.183 0.000 2.394 229 W HA 0.188 4.864 4.660 0.027 0.000 0.312 229 W C -0.275 176.312 176.519 0.114 0.000 0.981 229 W CA -1.084 56.312 57.345 0.085 0.000 1.519 229 W CB 0.995 30.465 29.460 0.017 0.000 1.304 229 W HN 0.563 nan 8.180 nan 0.000 0.412 230 M N 4.889 124.345 119.600 -0.240 0.000 3.051 230 M HA -0.254 4.243 4.480 0.027 0.000 0.169 230 M C 1.043 177.356 176.300 0.021 0.000 1.287 230 M CA 2.133 57.298 55.300 -0.224 0.000 0.779 230 M CB -1.434 30.890 32.600 -0.460 0.000 1.235 230 M HN 0.775 nan 8.290 nan 0.000 0.707 231 G N -1.900 106.920 108.800 0.033 0.000 2.399 231 G HA2 -0.285 3.691 3.960 0.027 0.000 0.216 231 G HA3 -0.285 3.691 3.960 0.027 0.000 0.216 231 G C -0.111 174.811 174.900 0.037 0.000 1.096 231 G CA -0.101 45.019 45.100 0.032 0.000 0.650 231 G HN 0.592 nan 8.290 nan 0.000 0.512 232 Y N 1.094 121.509 120.300 0.191 0.000 2.374 232 Y HA 0.660 5.226 4.550 0.026 0.000 0.322 232 Y C 0.720 176.774 175.900 0.257 0.000 1.275 232 Y CA -0.324 57.911 58.100 0.224 0.000 1.307 232 Y CB 1.133 39.690 38.460 0.161 0.000 1.282 232 Y HN 0.177 nan 8.280 nan 0.000 0.509 233 E N 1.782 122.241 120.200 0.432 0.000 2.207 233 E HA 0.324 4.691 4.350 0.027 0.000 0.250 233 E C -1.806 174.978 176.600 0.306 0.000 0.890 233 E CA -0.752 55.847 56.400 0.332 0.000 0.749 233 E CB 0.476 30.314 29.700 0.230 0.000 1.193 233 E HN 0.431 nan 8.360 nan 0.000 0.423 234 L N 4.726 126.207 121.223 0.429 0.000 2.361 234 L HA 0.257 4.614 4.340 0.027 0.000 0.278 234 L C -0.181 177.009 176.870 0.532 0.000 1.113 234 L CA 0.406 55.527 54.840 0.468 0.000 0.849 234 L CB 0.424 42.766 42.059 0.472 0.000 1.155 234 L HN 0.552 nan 8.230 nan 0.000 0.452 235 H N 4.113 123.356 119.070 0.288 0.000 2.622 235 H HA 0.242 4.815 4.556 0.028 0.000 0.363 235 H C -1.687 173.805 175.328 0.272 0.000 1.151 235 H CA -2.003 54.142 56.048 0.161 0.000 1.184 235 H CB 1.661 31.464 29.762 0.068 0.000 1.643 235 H HN 0.382 nan 8.280 nan 0.000 0.531 236 P HA -0.207 nan 4.420 nan 0.000 0.221 236 P C 0.652 178.137 177.300 0.308 0.000 1.141 236 P CA 1.510 64.750 63.100 0.234 0.000 0.794 236 P CB 0.254 32.010 31.700 0.094 0.000 0.764 237 D N -2.514 118.059 120.400 0.290 0.000 2.514 237 D HA 0.047 4.704 4.640 0.027 0.000 0.225 237 D C 0.406 176.729 176.300 0.038 0.000 1.159 237 D CA 0.193 54.315 54.000 0.203 0.000 0.823 237 D CB 0.411 41.261 40.800 0.084 0.000 1.097 237 D HN 0.227 nan 8.370 nan 0.000 0.519 238 K N -0.293 120.067 120.400 -0.067 0.000 2.610 238 K HA 0.328 4.665 4.320 0.027 0.000 0.278 238 K C -1.247 175.099 176.600 -0.423 0.000 0.964 238 K CA -0.988 55.014 56.287 -0.476 0.000 0.859 238 K CB 1.193 33.475 32.500 -0.362 0.000 1.434 238 K HN 0.070 nan 8.250 nan 0.000 0.410 239 W N 0.862 121.871 121.300 -0.486 0.000 2.578 239 W HA 0.688 5.364 4.660 0.025 0.000 0.346 239 W C -1.360 175.088 176.519 -0.119 0.000 1.075 239 W CA -0.952 56.256 57.345 -0.229 0.000 1.233 239 W CB 1.336 30.709 29.460 -0.145 0.000 1.358 239 W HN 0.449 nan 8.180 nan 0.000 0.574 240 T N 1.339 116.029 114.554 0.227 0.000 2.900 240 T HA 0.369 4.735 4.350 0.027 0.000 0.295 240 T C -0.857 174.063 174.700 0.366 0.000 1.044 240 T CA -0.501 61.703 62.100 0.172 0.000 0.995 240 T CB 2.306 71.151 68.868 -0.037 0.000 1.072 240 T HN 0.273 nan 8.240 nan 0.000 0.473 241 V N 4.568 124.649 119.914 0.277 0.000 2.348 241 V HA 0.278 4.414 4.120 0.027 0.000 0.270 241 V C 0.588 176.775 176.094 0.154 0.000 1.037 241 V CA -0.878 61.529 62.300 0.177 0.000 0.872 241 V CB 0.855 32.728 31.823 0.084 0.000 1.002 241 V HN 0.892 nan 8.190 nan 0.000 0.464 242 Q N 6.622 126.509 119.800 0.146 0.000 2.244 242 Q HA 0.224 4.580 4.340 0.027 0.000 0.278 242 Q C -2.207 173.879 176.000 0.143 0.000 1.093 242 Q CA -1.416 54.466 55.803 0.132 0.000 0.916 242 Q CB 0.102 28.903 28.738 0.106 0.000 1.159 242 Q HN 0.516 nan 8.270 nan 0.000 0.384 243 P HA -0.080 nan 4.420 nan 0.000 0.258 243 P C -0.470 176.888 177.300 0.096 0.000 1.172 243 P CA -0.037 63.150 63.100 0.146 0.000 0.762 243 P CB 0.311 32.073 31.700 0.103 0.000 0.764 244 I N 5.159 125.789 120.570 0.100 0.000 2.496 244 I HA 0.023 4.209 4.170 0.027 0.000 0.285 244 I C -0.399 175.726 176.117 0.013 0.000 1.080 244 I CA -0.402 60.927 61.300 0.048 0.000 1.404 244 I CB 0.777 38.820 38.000 0.073 0.000 1.403 244 I HN 0.078 nan 8.210 nan 0.000 0.539 245 V N 8.389 128.307 119.914 0.007 0.000 2.407 245 V HA 0.323 4.460 4.120 0.027 0.000 0.278 245 V C 0.106 176.210 176.094 0.017 0.000 1.037 245 V CA -0.653 61.652 62.300 0.008 0.000 0.900 245 V CB 0.890 32.717 31.823 0.006 0.000 0.983 245 V HN 0.507 nan 8.190 nan 0.000 0.459 246 L N 7.442 128.683 121.223 0.029 0.000 2.294 246 L HA 0.453 4.810 4.340 0.027 0.000 0.283 246 L C -2.067 174.854 176.870 0.085 0.000 1.015 246 L CA -1.656 53.224 54.840 0.067 0.000 0.831 246 L CB 2.066 44.162 42.059 0.061 0.000 1.217 246 L HN 0.474 nan 8.230 nan 0.000 0.420 247 P HA -0.010 nan 4.420 nan 0.000 0.266 247 P C -0.517 176.834 177.300 0.085 0.000 1.215 247 P CA -0.201 62.925 63.100 0.043 0.000 0.763 247 P CB 0.922 32.608 31.700 -0.023 0.000 0.806 248 E N 4.007 124.234 120.200 0.045 0.000 1.802 248 E HA 0.077 4.443 4.350 0.027 0.000 0.265 248 E C -0.253 176.333 176.600 -0.024 0.000 1.168 248 E CA -0.406 56.039 56.400 0.075 0.000 1.033 248 E CB -0.154 29.577 29.700 0.051 0.000 1.095 248 E HN 0.218 nan 8.360 nan 0.000 0.436 249 K N 2.087 122.400 120.400 -0.144 0.000 2.107 249 K HA 0.086 4.422 4.320 0.027 0.000 0.251 249 K C 0.178 176.653 176.600 -0.208 0.000 1.012 249 K CA -0.078 55.963 56.287 -0.410 0.000 0.920 249 K CB 0.779 32.592 32.500 -1.145 0.000 1.033 249 K HN 0.464 nan 8.250 nan 0.000 0.478 250 D N -1.301 118.974 120.400 -0.207 0.000 2.388 250 D HA 0.004 4.661 4.640 0.027 0.000 0.208 250 D C 0.120 176.385 176.300 -0.057 0.000 1.035 250 D CA 0.118 54.076 54.000 -0.069 0.000 0.875 250 D CB 0.471 41.239 40.800 -0.053 0.000 0.984 250 D HN 0.098 nan 8.370 nan 0.000 0.508 251 S N -0.702 114.884 115.700 -0.189 0.000 2.594 251 S HA 0.514 5.000 4.470 0.027 0.000 0.296 251 S C -1.900 172.568 174.600 -0.220 0.000 1.124 251 S CA -0.796 57.343 58.200 -0.101 0.000 1.011 251 S CB 0.564 63.718 63.200 -0.077 0.000 1.016 251 S HN 0.195 nan 8.310 nan 0.000 0.485 252 W N 2.297 123.593 121.300 -0.006 0.000 2.632 252 W HA 0.508 5.185 4.660 0.029 0.000 0.328 252 W C 0.576 177.092 176.519 -0.005 0.000 1.044 252 W CA -0.555 56.786 57.345 -0.006 0.000 1.225 252 W CB 1.694 31.150 29.460 -0.006 0.000 1.396 252 W HN 0.631 nan 8.180 nan 0.000 0.499 253 T N -1.706 113.006 114.554 0.263 0.000 2.952 253 T HA 0.358 4.724 4.350 0.027 0.000 0.286 253 T C 0.736 175.533 174.700 0.162 0.000 1.024 253 T CA -0.763 61.429 62.100 0.154 0.000 1.029 253 T CB 1.296 70.215 68.868 0.085 0.000 1.094 253 T HN 0.202 nan 8.240 nan 0.000 0.515 254 V N 1.577 121.550 119.914 0.097 0.000 2.255 254 V HA -0.205 3.931 4.120 0.027 0.000 0.247 254 V C 2.944 179.083 176.094 0.076 0.000 1.051 254 V CA 2.327 64.669 62.300 0.070 0.000 1.018 254 V CB -1.238 30.611 31.823 0.044 0.000 0.641 254 V HN 0.974 nan 8.190 nan 0.000 0.445 255 N N 0.629 119.371 118.700 0.072 0.000 2.037 255 N HA -0.229 4.528 4.740 0.027 0.000 0.196 255 N C 1.544 177.114 175.510 0.100 0.000 1.034 255 N CA 2.224 55.313 53.050 0.066 0.000 0.861 255 N CB -0.528 37.989 38.487 0.051 0.000 1.039 255 N HN 0.502 nan 8.380 nan 0.000 0.427 256 D N 0.369 120.862 120.400 0.155 0.000 2.116 256 D HA -0.143 4.513 4.640 0.027 0.000 0.193 256 D C 2.052 178.527 176.300 0.291 0.000 0.998 256 D CA 0.700 54.863 54.000 0.271 0.000 0.836 256 D CB -0.299 40.736 40.800 0.390 0.000 0.951 256 D HN 0.318 nan 8.370 nan 0.000 0.449 257 I N 1.236 121.921 120.570 0.191 0.000 2.226 257 I HA -0.239 3.948 4.170 0.027 0.000 0.245 257 I C 2.364 178.476 176.117 -0.007 0.000 1.100 257 I CA 1.182 62.474 61.300 -0.012 0.000 1.374 257 I CB -1.086 36.878 38.000 -0.060 0.000 1.057 257 I HN 0.160 nan 8.210 nan 0.000 0.413 258 Q N 0.995 120.812 119.800 0.028 0.000 2.030 258 Q HA -0.230 4.127 4.340 0.027 0.000 0.204 258 Q C 2.216 178.234 176.000 0.029 0.000 0.986 258 Q CA 1.588 57.404 55.803 0.021 0.000 0.843 258 Q CB -0.301 28.453 28.738 0.027 0.000 0.904 258 Q HN 0.535 nan 8.270 nan 0.000 0.420 259 K N 0.501 120.931 120.400 0.049 0.000 2.103 259 K HA -0.170 4.167 4.320 0.027 0.000 0.207 259 K C 2.078 178.706 176.600 0.047 0.000 1.048 259 K CA 0.976 57.291 56.287 0.047 0.000 0.930 259 K CB -0.225 32.311 32.500 0.060 0.000 0.716 259 K HN 0.046 nan 8.250 nan 0.000 0.444 260 L N 0.978 122.237 121.223 0.060 0.000 1.994 260 L HA -0.164 4.193 4.340 0.027 0.000 0.208 260 L C 2.029 178.899 176.870 0.000 0.000 1.071 260 L CA 1.558 56.418 54.840 0.033 0.000 0.745 260 L CB -0.404 41.631 42.059 -0.040 0.000 0.892 260 L HN -0.086 nan 8.230 nan 0.000 0.431 261 V N 0.294 120.197 119.914 -0.019 0.000 2.469 261 V HA -0.231 3.905 4.120 0.027 0.000 0.251 261 V C 2.588 178.699 176.094 0.028 0.000 1.064 261 V CA 1.655 63.949 62.300 -0.010 0.000 1.066 261 V CB -1.781 30.030 31.823 -0.020 0.000 0.667 261 V HN 0.661 nan 8.190 nan 0.000 0.461 262 G N -0.200 108.620 108.800 0.034 0.000 2.433 262 G HA2 -0.274 3.703 3.960 0.027 0.000 0.216 262 G HA3 -0.274 3.703 3.960 0.027 0.000 0.216 262 G C 1.650 176.599 174.900 0.082 0.000 1.186 262 G CA 1.003 46.135 45.100 0.054 0.000 0.779 262 G HN 0.429 nan 8.290 nan 0.000 0.543 263 K N -0.355 120.075 120.400 0.050 0.000 2.057 263 K HA 0.080 4.416 4.320 0.027 0.000 0.207 263 K C 2.463 179.149 176.600 0.143 0.000 1.049 263 K CA 0.507 56.827 56.287 0.055 0.000 0.931 263 K CB -0.298 32.203 32.500 0.002 0.000 0.714 263 K HN 0.125 nan 8.250 nan 0.000 0.440 264 L N 0.834 122.114 121.223 0.094 0.000 2.046 264 L HA -0.182 4.175 4.340 0.027 0.000 0.208 264 L C 1.943 178.886 176.870 0.123 0.000 1.077 264 L CA 1.756 56.649 54.840 0.089 0.000 0.747 264 L CB -1.186 40.888 42.059 0.026 0.000 0.896 264 L HN 0.311 nan 8.230 nan 0.000 0.432 265 N N -1.186 117.586 118.700 0.119 0.000 2.309 265 N HA -0.249 4.507 4.740 0.027 0.000 0.182 265 N C 1.833 177.438 175.510 0.159 0.000 1.018 265 N CA 1.063 54.180 53.050 0.112 0.000 0.876 265 N CB -0.164 38.379 38.487 0.093 0.000 0.972 265 N HN 0.348 nan 8.380 nan 0.000 0.434 266 W N 0.830 122.138 121.300 0.014 0.000 2.409 266 W HA 0.093 4.770 4.660 0.029 0.000 0.299 266 W C 2.212 178.745 176.519 0.023 0.000 1.203 266 W CA 1.429 58.782 57.345 0.013 0.000 1.298 266 W CB -0.397 29.065 29.460 0.004 0.000 1.127 266 W HN 0.073 nan 8.180 nan 0.000 0.528 267 A N 0.493 123.572 122.820 0.432 0.000 1.908 267 A HA -0.275 4.062 4.320 0.027 0.000 0.218 267 A C 2.044 179.716 177.584 0.147 0.000 1.181 267 A CA 2.699 54.947 52.037 0.352 0.000 0.627 267 A CB -1.576 17.637 19.000 0.355 0.000 0.818 267 A HN 0.412 nan 8.150 nan 0.000 0.445 268 S N -0.491 115.256 115.700 0.078 0.000 2.440 268 S HA -0.268 4.219 4.470 0.027 0.000 0.240 268 S C 1.770 176.317 174.600 -0.088 0.000 1.014 268 S CA 1.471 59.681 58.200 0.016 0.000 0.980 268 S CB -0.476 62.727 63.200 0.005 0.000 0.775 268 S HN 0.608 nan 8.310 nan 0.000 0.499 269 Q N 1.134 120.817 119.800 -0.194 0.000 2.079 269 Q HA 0.107 4.464 4.340 0.027 0.000 0.200 269 Q C 2.309 178.124 176.000 -0.308 0.000 0.974 269 Q CA 1.379 57.002 55.803 -0.301 0.000 0.840 269 Q CB -0.426 28.068 28.738 -0.406 0.000 0.898 269 Q HN 0.716 nan 8.270 nan 0.000 0.430 270 I N -1.722 118.658 120.570 -0.316 0.000 2.731 270 I HA -0.118 4.068 4.170 0.027 0.000 0.260 270 I C 0.200 176.116 176.117 -0.334 0.000 1.138 270 I CA 0.473 61.557 61.300 -0.360 0.000 1.461 270 I CB 0.125 37.816 38.000 -0.514 0.000 1.128 270 I HN -0.033 nan 8.210 nan 0.000 0.438 271 Y N 1.951 122.194 120.300 -0.095 0.000 2.960 271 Y HA 0.401 4.967 4.550 0.025 0.000 0.343 271 Y C -2.460 173.398 175.900 -0.069 0.000 1.106 271 Y CA -3.001 55.062 58.100 -0.061 0.000 1.221 271 Y CB -0.280 38.162 38.460 -0.030 0.000 1.232 271 Y HN -0.112 nan 8.280 nan 0.000 0.577 272 P HA 0.234 nan 4.420 nan 0.000 0.271 272 P C 0.954 178.265 177.300 0.020 0.000 1.216 272 P CA 0.936 64.032 63.100 -0.007 0.000 0.771 272 P CB 1.189 32.856 31.700 -0.055 0.000 0.864 273 G N 2.803 111.607 108.800 0.006 0.000 2.797 273 G HA2 -0.148 3.829 3.960 0.027 0.000 0.195 273 G HA3 -0.148 3.829 3.960 0.027 0.000 0.195 273 G C 0.064 174.961 174.900 -0.006 0.000 1.026 273 G CA -0.539 44.562 45.100 0.001 0.000 0.759 273 G HN 0.418 nan 8.290 nan 0.000 0.475 274 I N 2.202 122.774 120.570 0.004 0.000 2.752 274 I HA 0.211 4.397 4.170 0.027 0.000 0.289 274 I C 0.473 176.583 176.117 -0.013 0.000 1.197 274 I CA 1.045 62.340 61.300 -0.009 0.000 1.432 274 I CB 0.483 38.490 38.000 0.012 0.000 1.359 274 I HN 0.215 nan 8.210 nan 0.000 0.571 275 K N 4.845 125.231 120.400 -0.023 0.000 2.375 275 K HA 0.564 4.900 4.320 0.027 0.000 0.249 275 K C 0.107 176.688 176.600 -0.032 0.000 0.942 275 K CA -0.611 55.661 56.287 -0.025 0.000 0.806 275 K CB 2.724 35.206 32.500 -0.029 0.000 1.227 275 K HN 0.414 nan 8.250 nan 0.000 0.430 276 V N -1.727 118.169 119.914 -0.030 0.000 3.392 276 V HA 0.207 4.343 4.120 0.027 0.000 0.294 276 V C 1.337 177.406 176.094 -0.042 0.000 1.561 276 V CA -0.335 61.941 62.300 -0.040 0.000 1.056 276 V CB 0.442 32.247 31.823 -0.030 0.000 0.882 276 V HN 0.534 nan 8.190 nan 0.000 0.440 277 R N 1.368 121.847 120.500 -0.034 0.000 2.115 277 R HA -0.180 4.176 4.340 0.027 0.000 0.239 277 R C 2.252 178.528 176.300 -0.040 0.000 1.133 277 R CA 2.583 58.664 56.100 -0.032 0.000 0.935 277 R CB -0.782 29.501 30.300 -0.028 0.000 0.853 277 R HN 0.543 nan 8.270 nan 0.000 0.433 278 Q N -0.584 119.188 119.800 -0.047 0.000 2.224 278 Q HA 0.037 4.393 4.340 0.027 0.000 0.203 278 Q C 0.089 176.045 176.000 -0.073 0.000 0.970 278 Q CA 0.656 56.427 55.803 -0.054 0.000 0.865 278 Q CB -0.070 28.636 28.738 -0.053 0.000 0.922 278 Q HN 0.073 nan 8.270 nan 0.000 0.445 282 L N 1.995 123.189 121.223 -0.048 0.000 2.465 282 L HA 0.031 4.387 4.340 0.027 0.000 0.224 282 L C 1.525 178.380 176.870 -0.025 0.000 1.145 282 L CA 1.030 55.845 54.840 -0.042 0.000 0.834 282 L CB -0.647 41.371 42.059 -0.068 0.000 0.944 282 L HN 0.278 nan 8.230 nan 0.000 0.451 283 L N -0.509 120.700 121.223 -0.023 0.000 2.418 283 L HA 0.031 4.387 4.340 0.027 0.000 0.218 283 L C 1.188 178.056 176.870 -0.004 0.000 1.125 283 L CA 0.432 55.266 54.840 -0.010 0.000 0.835 283 L CB -0.806 41.247 42.059 -0.009 0.000 0.953 283 L HN 0.181 nan 8.230 nan 0.000 0.454 284 R N 0.594 121.090 120.500 -0.007 0.000 2.485 284 R HA 0.140 4.496 4.340 0.027 0.000 0.304 284 R C 1.266 177.566 176.300 -0.000 0.000 0.934 284 R CA 0.791 56.889 56.100 -0.004 0.000 1.102 284 R CB -0.385 29.912 30.300 -0.006 0.000 0.906 284 R HN 0.392 nan 8.270 nan 0.000 0.407 285 G N 2.353 111.154 108.800 0.002 0.000 2.153 285 G HA2 -0.341 3.635 3.960 0.027 0.000 0.252 285 G HA3 -0.341 3.635 3.960 0.027 0.000 0.252 285 G C 0.281 175.185 174.900 0.007 0.000 0.994 285 G CA 0.526 45.628 45.100 0.004 0.000 0.698 285 G HN 0.739 nan 8.290 nan 0.000 0.521 286 T N -0.727 113.832 114.554 0.008 0.000 2.792 286 T HA 0.377 4.743 4.350 0.027 0.000 0.286 286 T C 1.563 176.270 174.700 0.012 0.000 0.970 286 T CA 0.670 62.777 62.100 0.012 0.000 1.187 286 T CB 1.226 70.102 68.868 0.014 0.000 0.915 286 T HN 0.811 nan 8.240 nan 0.000 0.529 287 K N 2.404 122.811 120.400 0.013 0.000 2.137 287 K HA 0.375 4.711 4.320 0.027 0.000 0.202 287 K C 0.789 177.397 176.600 0.013 0.000 1.052 287 K CA 0.341 56.635 56.287 0.012 0.000 0.961 287 K CB 0.296 32.803 32.500 0.011 0.000 0.741 287 K HN 0.682 nan 8.250 nan 0.000 0.452 288 A N 0.432 123.261 122.820 0.016 0.000 2.556 288 A HA 0.444 4.780 4.320 0.027 0.000 0.294 288 A C 0.018 177.615 177.584 0.021 0.000 1.091 288 A CA -0.769 51.278 52.037 0.017 0.000 0.704 288 A CB 1.370 20.379 19.000 0.015 0.000 1.300 288 A HN 0.094 nan 8.150 nan 0.000 0.406 289 L N 1.016 122.251 121.223 0.021 0.000 2.201 289 L HA -0.033 4.324 4.340 0.027 0.000 0.212 289 L C 2.318 179.206 176.870 0.030 0.000 1.105 289 L CA 2.870 57.725 54.840 0.025 0.000 0.775 289 L CB -0.236 41.836 42.059 0.022 0.000 0.913 289 L HN 0.897 nan 8.230 nan 0.000 0.440 290 T N -3.260 111.309 114.554 0.025 0.000 3.163 290 T HA 0.118 4.484 4.350 0.027 0.000 0.252 290 T C 0.512 175.229 174.700 0.028 0.000 1.056 290 T CA -0.411 61.704 62.100 0.025 0.000 0.947 290 T CB -0.625 68.252 68.868 0.015 0.000 1.016 290 T HN 0.491 nan 8.240 nan 0.000 0.554 291 E N 1.807 122.025 120.200 0.031 0.000 2.354 291 E HA 0.373 4.739 4.350 0.027 0.000 0.269 291 E C 0.060 176.688 176.600 0.046 0.000 1.036 291 E CA -1.108 55.311 56.400 0.032 0.000 0.876 291 E CB 1.025 30.741 29.700 0.027 0.000 1.009 291 E HN 0.232 nan 8.360 nan 0.000 0.416 292 V N 1.405 121.346 119.914 0.046 0.000 2.546 292 V HA 0.448 4.584 4.120 0.027 0.000 0.284 292 V C -0.278 175.857 176.094 0.068 0.000 1.050 292 V CA -0.786 61.554 62.300 0.066 0.000 0.981 292 V CB 0.409 32.263 31.823 0.051 0.000 0.990 292 V HN 0.593 nan 8.190 nan 0.000 0.474 293 I N 6.702 127.330 120.570 0.096 0.000 2.404 293 I HA 0.505 4.692 4.170 0.027 0.000 0.293 293 I C -2.065 174.099 176.117 0.080 0.000 0.992 293 I CA -2.167 59.175 61.300 0.071 0.000 1.149 293 I CB 2.019 40.050 38.000 0.051 0.000 1.315 293 I HN 0.607 nan 8.210 nan 0.000 0.446 294 P HA 0.136 nan 4.420 nan 0.000 0.275 294 P C -0.410 176.908 177.300 0.031 0.000 1.276 294 P CA -0.339 62.789 63.100 0.048 0.000 0.782 294 P CB 0.653 32.371 31.700 0.030 0.000 0.851 295 L N 3.612 124.862 121.223 0.044 0.000 2.638 295 L HA 0.034 4.391 4.340 0.027 0.000 0.273 295 L C 1.283 178.147 176.870 -0.010 0.000 1.147 295 L CA 0.373 55.210 54.840 -0.005 0.000 0.941 295 L CB -0.008 42.054 42.059 0.006 0.000 1.251 295 L HN 0.429 nan 8.230 nan 0.000 0.479 296 T N 2.143 116.680 114.554 -0.027 0.000 2.940 296 T HA -0.049 4.317 4.350 0.027 0.000 0.309 296 T C 1.308 175.994 174.700 -0.023 0.000 1.056 296 T CA 0.323 62.411 62.100 -0.021 0.000 1.137 296 T CB 0.741 69.593 68.868 -0.027 0.000 0.976 296 T HN 0.844 nan 8.240 nan 0.000 0.547 297 E N 2.541 122.733 120.200 -0.013 0.000 2.130 297 E HA -0.246 4.121 4.350 0.027 0.000 0.196 297 E C 1.568 178.156 176.600 -0.020 0.000 0.998 297 E CA 1.913 58.306 56.400 -0.012 0.000 0.806 297 E CB -0.123 29.573 29.700 -0.006 0.000 0.738 297 E HN 0.828 nan 8.360 nan 0.000 0.459 298 E N 0.426 120.611 120.200 -0.024 0.000 2.110 298 E HA -0.134 4.233 4.350 0.027 0.000 0.193 298 E C 1.915 178.489 176.600 -0.042 0.000 0.988 298 E CA 1.513 57.896 56.400 -0.029 0.000 0.804 298 E CB -0.280 29.403 29.700 -0.028 0.000 0.745 298 E HN 0.490 nan 8.360 nan 0.000 0.458 299 A N 0.762 123.550 122.820 -0.054 0.000 1.968 299 A HA -0.139 4.198 4.320 0.027 0.000 0.217 299 A C 1.893 179.429 177.584 -0.080 0.000 1.169 299 A CA 0.993 52.980 52.037 -0.082 0.000 0.638 299 A CB -0.202 18.731 19.000 -0.111 0.000 0.812 299 A HN 0.053 nan 8.150 nan 0.000 0.446 300 E N -0.168 120.001 120.200 -0.052 0.000 2.051 300 E HA -0.195 4.172 4.350 0.027 0.000 0.192 300 E C 2.076 178.660 176.600 -0.027 0.000 0.991 300 E CA 1.421 57.803 56.400 -0.030 0.000 0.799 300 E CB -0.544 29.152 29.700 -0.007 0.000 0.748 300 E HN 0.655 nan 8.360 nan 0.000 0.449 301 L N 1.259 122.466 121.223 -0.026 0.000 2.046 301 L HA -0.171 4.186 4.340 0.027 0.000 0.208 301 L C 2.408 179.259 176.870 -0.032 0.000 1.077 301 L CA 1.909 56.735 54.840 -0.024 0.000 0.747 301 L CB -0.186 41.861 42.059 -0.021 0.000 0.896 301 L HN 0.068 nan 8.230 nan 0.000 0.432 302 E N -0.143 120.031 120.200 -0.043 0.000 2.028 302 E HA -0.250 4.117 4.350 0.027 0.000 0.191 302 E C 2.318 178.883 176.600 -0.057 0.000 0.988 302 E CA 1.539 57.909 56.400 -0.050 0.000 0.799 302 E CB -0.283 29.381 29.700 -0.059 0.000 0.755 302 E HN 0.617 nan 8.360 nan 0.000 0.447 303 L N 0.405 121.586 121.223 -0.071 0.000 2.079 303 L HA -0.221 4.135 4.340 0.027 0.000 0.210 303 L C 2.480 179.327 176.870 -0.040 0.000 1.081 303 L CA 1.347 56.144 54.840 -0.072 0.000 0.752 303 L CB -0.339 41.662 42.059 -0.096 0.000 0.896 303 L HN 0.257 nan 8.230 nan 0.000 0.433 304 A N -0.522 122.282 122.820 -0.028 0.000 1.858 304 A HA -0.295 4.042 4.320 0.027 0.000 0.216 304 A C 2.163 179.731 177.584 -0.027 0.000 1.190 304 A CA 1.809 53.836 52.037 -0.017 0.000 0.617 304 A CB -0.687 18.308 19.000 -0.010 0.000 0.827 304 A HN 0.527 nan 8.150 nan 0.000 0.443 305 E N -0.174 120.007 120.200 -0.031 0.000 2.171 305 E HA -0.255 4.112 4.350 0.027 0.000 0.197 305 E C 1.586 178.156 176.600 -0.050 0.000 0.997 305 E CA 1.433 57.812 56.400 -0.035 0.000 0.810 305 E CB -0.127 29.553 29.700 -0.032 0.000 0.738 305 E HN 0.563 nan 8.360 nan 0.000 0.467 306 N N 0.379 119.044 118.700 -0.057 0.000 2.188 306 N HA -0.094 4.663 4.740 0.027 0.000 0.184 306 N C 1.663 177.113 175.510 -0.099 0.000 1.018 306 N CA 0.759 53.762 53.050 -0.079 0.000 0.858 306 N CB -0.205 38.240 38.487 -0.070 0.000 0.989 306 N HN 0.172 nan 8.380 nan 0.000 0.426 307 R N 0.960 121.420 120.500 -0.067 0.000 2.096 307 R HA -0.025 4.331 4.340 0.027 0.000 0.235 307 R C 1.808 178.064 176.300 -0.073 0.000 1.127 307 R CA 0.945 57.008 56.100 -0.062 0.000 0.968 307 R CB -0.041 30.244 30.300 -0.026 0.000 0.861 307 R HN 0.423 nan 8.270 nan 0.000 0.440 308 E N 0.361 120.524 120.200 -0.061 0.000 2.051 308 E HA -0.180 4.186 4.350 0.027 0.000 0.192 308 E C 2.033 178.586 176.600 -0.078 0.000 0.991 308 E CA 0.891 57.259 56.400 -0.052 0.000 0.799 308 E CB 0.009 29.688 29.700 -0.036 0.000 0.748 308 E HN 0.189 nan 8.360 nan 0.000 0.449 309 I N 1.175 121.679 120.570 -0.110 0.000 2.127 309 I HA -0.270 3.916 4.170 0.027 0.000 0.241 309 I C 2.310 178.233 176.117 -0.323 0.000 1.075 309 I CA 1.464 62.669 61.300 -0.158 0.000 1.334 309 I CB -0.895 37.006 38.000 -0.165 0.000 1.040 309 I HN 0.192 nan 8.210 nan 0.000 0.405 310 L N -0.020 120.956 121.223 -0.412 0.000 2.633 310 L HA -0.151 4.205 4.340 0.027 0.000 0.235 310 L C 2.203 178.952 176.870 -0.200 0.000 1.163 310 L CA 0.389 54.922 54.840 -0.511 0.000 0.859 310 L CB -0.577 41.272 42.059 -0.351 0.000 0.973 310 L HN 0.150 nan 8.230 nan 0.000 0.451 311 K N 0.988 121.320 120.400 -0.113 0.000 2.076 311 K HA -0.039 4.297 4.320 0.027 0.000 0.204 311 K C 0.498 177.107 176.600 0.014 0.000 1.051 311 K CA 0.779 57.047 56.287 -0.032 0.000 0.949 311 K CB 0.124 32.611 32.500 -0.023 0.000 0.726 311 K HN 0.189 nan 8.250 nan 0.000 0.443 312 E N 2.487 122.704 120.200 0.028 0.000 2.029 312 E HA 0.059 4.426 4.350 0.027 0.000 0.276 312 E C -2.306 174.385 176.600 0.150 0.000 1.163 312 E CA -1.869 54.576 56.400 0.075 0.000 0.909 312 E CB 0.551 30.292 29.700 0.068 0.000 1.046 312 E HN 0.209 nan 8.360 nan 0.000 0.406 313 P HA -0.003 nan 4.420 nan 0.000 0.269 313 P C -0.592 176.627 177.300 -0.135 0.000 1.215 313 P CA -0.108 63.040 63.100 0.080 0.000 0.780 313 P CB 1.013 32.761 31.700 0.079 0.000 0.898 314 V N 2.888 122.681 119.914 -0.201 0.000 2.604 314 V HA 0.412 4.548 4.120 0.027 0.000 0.305 314 V C -0.392 175.442 176.094 -0.433 0.000 1.043 314 V CA -0.530 61.515 62.300 -0.424 0.000 0.888 314 V CB 1.476 33.109 31.823 -0.316 0.000 0.995 314 V HN 0.781 nan 8.190 nan 0.000 0.429 315 H N 1.323 120.217 119.070 -0.294 0.000 2.806 315 H HA 0.908 5.481 4.556 0.028 0.000 0.367 315 H C 0.026 174.775 175.328 -0.964 0.000 1.136 315 H CA -0.390 55.282 56.048 -0.627 0.000 1.178 315 H CB 1.885 31.389 29.762 -0.430 0.000 1.718 315 H HN 0.850 nan 8.280 nan 0.000 0.540 316 G N 0.147 107.826 108.800 -1.867 0.000 3.211 316 G HA2 0.602 4.578 3.960 0.027 0.000 0.262 316 G HA3 0.602 4.578 3.960 0.027 0.000 0.262 316 G C -0.662 173.579 174.900 -1.098 0.000 1.352 316 G CA -0.469 43.825 45.100 -1.344 0.000 1.004 316 G HN 0.879 nan 8.290 nan 0.000 0.559 317 V N -2.746 116.965 119.914 -0.339 0.000 3.177 317 V HA 0.813 4.949 4.120 0.027 0.000 0.319 317 V C -0.828 175.380 176.094 0.190 0.000 1.125 317 V CA -1.248 60.961 62.300 -0.151 0.000 1.029 317 V CB 1.393 33.213 31.823 -0.004 0.000 1.119 317 V HN 0.560 nan 8.190 nan 0.000 0.452 318 Y N -0.045 120.424 120.300 0.280 0.000 2.458 318 Y HA 0.531 5.098 4.550 0.028 0.000 0.322 318 Y C -0.038 176.034 175.900 0.287 0.000 1.259 318 Y CA -0.990 57.303 58.100 0.321 0.000 1.302 318 Y CB 0.648 39.245 38.460 0.228 0.000 1.314 318 Y HN 0.763 nan 8.280 nan 0.000 0.509 319 Y N 2.072 122.596 120.300 0.374 0.000 2.442 319 Y HA 0.129 4.695 4.550 0.027 0.000 0.330 319 Y C -0.192 175.784 175.900 0.126 0.000 1.129 319 Y CA -0.721 57.506 58.100 0.212 0.000 1.365 319 Y CB 0.257 38.909 38.460 0.321 0.000 1.233 319 Y HN 0.480 nan 8.280 nan 0.000 0.529 320 D N 8.770 128.945 120.400 -0.376 0.000 2.460 320 D HA 0.267 4.924 4.640 0.027 0.000 0.232 320 D C -2.143 173.683 176.300 -0.789 0.000 1.079 320 D CA -2.242 51.504 54.000 -0.424 0.000 0.864 320 D CB 1.860 42.561 40.800 -0.165 0.000 1.048 320 D HN 0.345 nan 8.370 nan 0.000 0.523 321 P HA -0.144 nan 4.420 nan 0.000 0.217 321 P C 1.076 178.221 177.300 -0.258 0.000 1.148 321 P CA 1.042 63.773 63.100 -0.615 0.000 0.828 321 P CB 0.187 31.707 31.700 -0.299 0.000 0.783 322 S N -2.614 112.966 115.700 -0.200 0.000 2.603 322 S HA 0.093 4.580 4.470 0.027 0.000 0.220 322 S C 0.681 175.229 174.600 -0.087 0.000 0.967 322 S CA 0.179 58.315 58.200 -0.106 0.000 0.920 322 S CB -0.519 62.634 63.200 -0.078 0.000 0.773 322 S HN 0.092 nan 8.310 nan 0.000 0.529 323 K N 1.903 122.237 120.400 -0.110 0.000 2.267 323 K HA 0.356 4.692 4.320 0.027 0.000 0.246 323 K C -1.220 175.352 176.600 -0.047 0.000 0.954 323 K CA -0.825 55.421 56.287 -0.068 0.000 0.824 323 K CB 1.148 33.611 32.500 -0.061 0.000 1.167 323 K HN 0.245 nan 8.250 nan 0.000 0.431 324 D N 0.764 121.133 120.400 -0.052 0.000 2.360 324 D HA 0.176 4.833 4.640 0.027 0.000 0.242 324 D C -0.230 175.988 176.300 -0.135 0.000 1.184 324 D CA -0.263 53.691 54.000 -0.076 0.000 0.930 324 D CB 0.596 41.347 40.800 -0.082 0.000 1.161 324 D HN 0.216 nan 8.370 nan 0.000 0.447 325 L N 0.318 121.412 121.223 -0.215 0.000 2.307 325 L HA 0.409 4.765 4.340 0.027 0.000 0.284 325 L C -0.636 175.971 176.870 -0.439 0.000 1.023 325 L CA -0.991 53.624 54.840 -0.374 0.000 0.810 325 L CB 1.088 42.863 42.059 -0.473 0.000 1.231 325 L HN 0.278 nan 8.230 nan 0.000 0.423 326 I N 2.995 123.213 120.570 -0.587 0.000 2.466 326 I HA 0.522 4.709 4.170 0.027 0.000 0.289 326 I C -0.075 175.567 176.117 -0.792 0.000 1.026 326 I CA -0.545 60.334 61.300 -0.702 0.000 1.078 326 I CB 1.712 39.193 38.000 -0.865 0.000 1.249 326 I HN 0.547 nan 8.210 nan 0.000 0.429 327 A N 5.623 128.083 122.820 -0.600 0.000 2.318 327 A HA 0.678 5.015 4.320 0.027 0.000 0.317 327 A C -0.432 177.086 177.584 -0.111 0.000 1.159 327 A CA -0.541 51.276 52.037 -0.367 0.000 0.799 327 A CB 1.441 20.164 19.000 -0.461 0.000 1.194 327 A HN 0.770 nan 8.150 nan 0.000 0.479 328 E N 2.409 122.629 120.200 0.033 0.000 2.212 328 E HA 0.699 5.066 4.350 0.027 0.000 0.268 328 E C -1.356 175.349 176.600 0.174 0.000 0.902 328 E CA -0.492 55.981 56.400 0.122 0.000 0.779 328 E CB 1.351 31.148 29.700 0.162 0.000 1.172 328 E HN 0.653 nan 8.360 nan 0.000 0.409 329 I N 2.449 123.118 120.570 0.166 0.000 2.785 329 I HA 0.344 4.530 4.170 0.027 0.000 0.302 329 I C -0.896 175.338 176.117 0.195 0.000 1.069 329 I CA -0.885 60.538 61.300 0.205 0.000 1.045 329 I CB 2.178 40.281 38.000 0.171 0.000 1.236 329 I HN 0.464 nan 8.210 nan 0.000 0.429 330 Q N 3.368 123.303 119.800 0.225 0.000 2.315 330 Q HA 0.389 4.746 4.340 0.027 0.000 0.273 330 Q C -1.090 174.980 176.000 0.117 0.000 1.053 330 Q CA -0.829 55.062 55.803 0.147 0.000 0.817 330 Q CB 2.894 31.666 28.738 0.056 0.000 1.326 330 Q HN 0.339 nan 8.270 nan 0.000 0.423 331 K N 1.847 122.206 120.400 -0.068 0.000 2.267 331 K HA 0.187 4.523 4.320 0.027 0.000 0.282 331 K C 0.182 176.597 176.600 -0.310 0.000 1.078 331 K CA 0.116 56.103 56.287 -0.499 0.000 0.903 331 K CB 0.679 32.660 32.500 -0.865 0.000 1.111 331 K HN 0.658 nan 8.250 nan 0.000 0.475 332 Q N 1.794 121.427 119.800 -0.278 0.000 2.269 332 Q HA 0.094 4.450 4.340 0.027 0.000 0.201 332 Q C 0.565 176.463 176.000 -0.170 0.000 0.946 332 Q CA 0.551 56.255 55.803 -0.166 0.000 0.877 332 Q CB 0.727 29.398 28.738 -0.112 0.000 0.963 332 Q HN 0.827 nan 8.270 nan 0.000 0.472 333 G N -0.277 108.374 108.800 -0.249 0.000 2.548 333 G HA2 0.103 4.080 3.960 0.027 0.000 0.301 333 G HA3 0.103 4.080 3.960 0.027 0.000 0.301 333 G C -1.747 173.007 174.900 -0.244 0.000 1.349 333 G CA -0.822 44.167 45.100 -0.185 0.000 0.792 333 G HN -0.028 nan 8.290 nan 0.000 0.481 334 Q N 0.026 119.743 119.800 -0.139 0.000 2.262 334 Q HA 0.402 4.758 4.340 0.027 0.000 0.272 334 Q C 1.232 177.182 176.000 -0.083 0.000 1.076 334 Q CA 1.362 57.105 55.803 -0.100 0.000 0.905 334 Q CB 0.110 28.817 28.738 -0.052 0.000 1.182 334 Q HN 1.929 nan 8.270 nan 0.000 0.390 335 G N 3.686 112.444 108.800 -0.069 0.000 2.160 335 G HA2 -0.289 3.687 3.960 0.027 0.000 0.251 335 G HA3 -0.289 3.687 3.960 0.027 0.000 0.251 335 G C -0.304 174.622 174.900 0.044 0.000 1.008 335 G CA 0.222 45.381 45.100 0.097 0.000 0.724 335 G HN 0.611 nan 8.290 nan 0.000 0.514 336 Q N -1.323 118.308 119.800 -0.280 0.000 2.292 336 Q HA 0.601 4.957 4.340 0.027 0.000 0.270 336 Q C -1.145 174.621 176.000 -0.390 0.000 1.024 336 Q CA -0.749 54.965 55.803 -0.149 0.000 0.768 336 Q CB 1.538 30.208 28.738 -0.114 0.000 1.250 336 Q HN 0.361 nan 8.270 nan 0.000 0.447 337 W N 1.169 122.509 121.300 0.068 0.000 2.883 337 W HA 0.499 5.178 4.660 0.032 0.000 0.335 337 W C -0.387 176.142 176.519 0.017 0.000 1.083 337 W CA -0.679 56.703 57.345 0.061 0.000 1.233 337 W CB 1.820 31.348 29.460 0.113 0.000 1.412 337 W HN 0.408 nan 8.180 nan 0.000 0.490 338 T N 0.068 114.736 114.554 0.191 0.000 2.829 338 T HA 0.771 5.137 4.350 0.027 0.000 0.280 338 T C -1.159 173.601 174.700 0.100 0.000 0.999 338 T CA -0.703 61.411 62.100 0.023 0.000 0.983 338 T CB 1.308 70.146 68.868 -0.050 0.000 0.968 338 T HN 0.416 nan 8.240 nan 0.000 0.446 339 Y N 0.426 120.704 120.300 -0.038 0.000 2.553 339 Y HA 0.756 5.321 4.550 0.025 0.000 0.347 339 Y C -1.028 174.863 175.900 -0.014 0.000 1.019 339 Y CA -1.322 56.776 58.100 -0.004 0.000 1.032 339 Y CB 1.892 40.358 38.460 0.009 0.000 1.284 339 Y HN 0.746 nan 8.280 nan 0.000 0.466 340 Q N 3.811 123.682 119.800 0.117 0.000 2.289 340 Q HA 0.528 4.884 4.340 0.027 0.000 0.270 340 Q C -1.819 174.286 176.000 0.175 0.000 1.038 340 Q CA -0.700 55.153 55.803 0.083 0.000 0.812 340 Q CB 2.590 31.350 28.738 0.037 0.000 1.300 340 Q HN 0.962 nan 8.270 nan 0.000 0.427 341 I N 4.010 124.670 120.570 0.150 0.000 2.354 341 I HA 0.539 4.725 4.170 0.027 0.000 0.292 341 I C -0.806 175.302 176.117 -0.014 0.000 0.989 341 I CA -1.025 60.249 61.300 -0.043 0.000 1.188 341 I CB 0.788 38.777 38.000 -0.019 0.000 1.342 341 I HN 0.687 nan 8.210 nan 0.000 0.457 342 Y N 2.919 123.152 120.300 -0.113 0.000 2.655 342 Y HA 0.500 5.065 4.550 0.025 0.000 0.336 342 Y C -0.076 175.752 175.900 -0.119 0.000 1.154 342 Y CA -0.973 57.076 58.100 -0.085 0.000 1.055 342 Y CB 1.075 39.499 38.460 -0.059 0.000 1.295 342 Y HN 0.436 nan 8.280 nan 0.000 0.465 343 Q N 0.119 120.001 119.800 0.137 0.000 2.462 343 Q HA 0.254 4.611 4.340 0.027 0.000 0.224 343 Q C -0.739 175.369 176.000 0.180 0.000 0.911 343 Q CA 0.373 56.208 55.803 0.054 0.000 0.925 343 Q CB 1.022 29.768 28.738 0.013 0.000 1.063 343 Q HN 0.748 nan 8.270 nan 0.000 0.572 344 E N 2.332 122.659 120.200 0.211 0.000 2.165 344 E HA 0.258 4.625 4.350 0.027 0.000 0.266 344 E C -2.579 174.081 176.600 0.100 0.000 0.889 344 E CA -2.481 54.006 56.400 0.144 0.000 0.756 344 E CB 1.685 31.429 29.700 0.072 0.000 1.131 344 E HN -0.016 nan 8.360 nan 0.000 0.411 345 P HA -0.169 nan 4.420 nan 0.000 0.261 345 P C -0.132 177.168 177.300 -0.001 0.000 1.158 345 P CA 0.812 63.753 63.100 -0.265 0.000 0.758 345 P CB 0.181 31.881 31.700 0.000 0.000 0.763 346 F N -0.251 119.431 119.950 -0.448 0.000 2.666 346 F HA -0.250 4.291 4.527 0.023 0.000 0.458 346 F C 0.856 176.573 175.800 -0.139 0.000 0.561 346 F CA 1.505 59.359 58.000 -0.243 0.000 1.129 346 F CB -1.847 37.052 39.000 -0.169 0.000 1.751 346 F HN 0.323 nan 8.300 nan 0.000 0.275 347 K N 1.536 121.957 120.400 0.034 0.000 2.229 347 K HA 0.253 4.589 4.320 0.027 0.000 0.247 347 K C -0.097 176.561 176.600 0.097 0.000 1.117 347 K CA -0.338 55.978 56.287 0.049 0.000 1.036 347 K CB 0.172 32.702 32.500 0.049 0.000 1.654 347 K HN 0.038 nan 8.250 nan 0.000 0.405 348 N N 1.813 120.572 118.700 0.098 0.000 2.508 348 N HA 0.105 4.862 4.740 0.027 0.000 0.264 348 N C 0.671 176.384 175.510 0.338 0.000 1.216 348 N CA 0.017 53.188 53.050 0.201 0.000 0.943 348 N CB 0.910 39.496 38.487 0.165 0.000 1.113 348 N HN 0.323 nan 8.380 nan 0.000 0.447 349 L N 0.590 122.027 121.223 0.358 0.000 2.347 349 L HA 0.263 4.620 4.340 0.027 0.000 0.196 349 L C 0.862 177.980 176.870 0.413 0.000 1.072 349 L CA 0.656 55.769 54.840 0.455 0.000 0.817 349 L CB 0.158 42.406 42.059 0.315 0.000 1.029 349 L HN 0.432 nan 8.230 nan 0.000 0.478 350 K N -0.437 120.149 120.400 0.309 0.000 2.551 350 K HA 0.412 4.748 4.320 0.027 0.000 0.269 350 K C -1.423 175.238 176.600 0.101 0.000 0.949 350 K CA -0.388 56.015 56.287 0.193 0.000 0.849 350 K CB 2.267 34.892 32.500 0.207 0.000 1.411 350 K HN 0.037 nan 8.250 nan 0.000 0.432 351 T N -1.099 113.418 114.554 -0.061 0.000 2.887 351 T HA 0.913 5.279 4.350 0.027 0.000 0.292 351 T C -0.059 174.282 174.700 -0.598 0.000 1.087 351 T CA -0.684 61.229 62.100 -0.311 0.000 1.009 351 T CB 2.062 70.799 68.868 -0.219 0.000 1.203 351 T HN 0.751 nan 8.240 nan 0.000 0.518 352 G N 0.049 108.210 108.800 -1.065 0.000 2.441 352 G HA2 0.634 4.611 3.960 0.027 0.000 0.294 352 G HA3 0.634 4.611 3.960 0.027 0.000 0.294 352 G C -2.139 172.212 174.900 -0.916 0.000 1.393 352 G CA -0.840 43.661 45.100 -0.998 0.000 0.796 352 G HN 1.040 nan 8.290 nan 0.000 0.494 353 K N -1.428 118.617 120.400 -0.592 0.000 2.555 353 K HA 0.753 5.089 4.320 0.027 0.000 0.279 353 K C -2.138 174.234 176.600 -0.380 0.000 0.986 353 K CA -1.085 54.967 56.287 -0.392 0.000 0.880 353 K CB 2.022 34.413 32.500 -0.182 0.000 1.474 353 K HN 0.512 nan 8.250 nan 0.000 0.433 354 Y N -0.283 120.130 120.300 0.187 0.000 2.492 354 Y HA 0.645 5.211 4.550 0.027 0.000 0.346 354 Y C -0.805 175.195 175.900 0.167 0.000 0.997 354 Y CA -0.988 57.211 58.100 0.165 0.000 1.025 354 Y CB 2.753 41.316 38.460 0.171 0.000 1.263 354 Y HN 0.848 nan 8.280 nan 0.000 0.454 355 A N 3.362 126.353 122.820 0.285 0.000 2.304 355 A HA 0.773 5.109 4.320 0.027 0.000 0.314 355 A C -0.663 177.025 177.584 0.173 0.000 1.187 355 A CA -1.010 51.138 52.037 0.184 0.000 0.810 355 A CB 0.604 19.672 19.000 0.114 0.000 1.183 355 A HN 0.646 nan 8.150 nan 0.000 0.487 356 R N 3.486 124.092 120.500 0.177 0.000 2.247 356 R HA 0.187 4.543 4.340 0.027 0.000 0.329 356 R C -0.280 176.081 176.300 0.102 0.000 1.014 356 R CA -0.436 55.750 56.100 0.144 0.000 0.907 356 R CB 1.124 31.540 30.300 0.193 0.000 1.146 356 R HN 0.909 nan 8.270 nan 0.000 0.499 357 M N 5.580 125.225 119.600 0.075 0.000 2.427 357 M HA -0.035 4.462 4.480 0.027 0.000 0.345 357 M C 1.582 177.919 176.300 0.061 0.000 1.653 357 M CA 0.412 55.745 55.300 0.056 0.000 1.138 357 M CB 0.416 33.042 32.600 0.043 0.000 1.995 357 M HN 0.522 nan 8.290 nan 0.000 0.459 358 R N 4.150 124.686 120.500 0.061 0.000 2.208 358 R HA -0.173 4.184 4.340 0.027 0.000 0.262 358 R C 0.977 177.320 176.300 0.071 0.000 1.166 358 R CA 1.164 57.306 56.100 0.070 0.000 0.987 358 R CB -1.976 28.357 30.300 0.054 0.000 0.887 358 R HN 0.973 nan 8.270 nan 0.000 0.459 359 G N 0.180 109.008 108.800 0.047 0.000 2.601 359 G HA2 -0.298 3.679 3.960 0.027 0.000 0.261 359 G HA3 -0.298 3.679 3.960 0.027 0.000 0.261 359 G C 0.909 175.812 174.900 0.004 0.000 1.289 359 G CA 1.541 46.661 45.100 0.034 0.000 0.920 359 G HN 0.629 nan 8.290 nan 0.000 0.571 360 A N -0.402 122.392 122.820 -0.043 0.000 1.852 360 A HA 0.268 4.604 4.320 0.027 0.000 0.217 360 A C 1.081 178.507 177.584 -0.264 0.000 1.215 360 A CA 3.241 55.124 52.037 -0.257 0.000 0.641 360 A CB -0.715 18.049 19.000 -0.394 0.000 0.838 360 A HN 2.529 nan 8.150 nan 0.000 0.450 361 H N -3.491 115.642 119.070 0.105 0.000 3.184 361 H HA 0.606 5.178 4.556 0.027 0.000 0.317 361 H C -0.752 174.670 175.328 0.157 0.000 1.065 361 H CA -0.696 55.425 56.048 0.122 0.000 1.462 361 H CB -0.222 29.609 29.762 0.116 0.000 2.037 361 H HN 0.218 nan 8.280 nan 0.000 0.431 362 T N 1.443 116.169 114.554 0.287 0.000 2.693 362 T HA 0.681 5.048 4.350 0.027 0.000 0.278 362 T C -0.425 174.404 174.700 0.215 0.000 0.994 362 T CA -1.038 61.208 62.100 0.244 0.000 1.033 362 T CB 1.663 70.644 68.868 0.189 0.000 1.342 362 T HN 0.848 nan 8.240 nan 0.000 0.538 363 N N -1.310 117.496 118.700 0.177 0.000 2.396 363 N HA 0.349 5.106 4.740 0.027 0.000 0.275 363 N C -0.325 175.237 175.510 0.086 0.000 1.218 363 N CA -0.750 52.388 53.050 0.147 0.000 0.812 363 N CB 0.875 39.448 38.487 0.143 0.000 1.592 363 N HN 0.333 nan 8.380 nan 0.000 0.480 364 D N 0.279 120.765 120.400 0.144 0.000 2.133 364 D HA -0.126 4.530 4.640 0.027 0.000 0.195 364 D C 1.588 177.895 176.300 0.012 0.000 0.997 364 D CA 1.346 55.475 54.000 0.217 0.000 0.840 364 D CB -0.001 40.979 40.800 0.299 0.000 0.947 364 D HN 0.381 nan 8.370 nan 0.000 0.452 365 V N 1.114 120.854 119.914 -0.289 0.000 2.407 365 V HA -0.238 3.898 4.120 0.027 0.000 0.248 365 V C 2.394 178.062 176.094 -0.710 0.000 1.055 365 V CA 1.455 63.381 62.300 -0.622 0.000 1.049 365 V CB -0.431 30.689 31.823 -1.172 0.000 0.662 365 V HN 0.059 nan 8.190 nan 0.000 0.455 366 K N 0.513 120.547 120.400 -0.610 0.000 2.097 366 K HA -0.175 4.161 4.320 0.027 0.000 0.206 366 K C 2.157 178.602 176.600 -0.258 0.000 1.049 366 K CA 1.605 57.686 56.287 -0.344 0.000 0.933 366 K CB -0.381 32.084 32.500 -0.059 0.000 0.717 366 K HN 0.552 nan 8.250 nan 0.000 0.442 367 Q N -0.035 119.645 119.800 -0.199 0.000 2.079 367 Q HA -0.110 4.246 4.340 0.027 0.000 0.200 367 Q C 2.067 177.655 176.000 -0.687 0.000 0.974 367 Q CA 1.265 56.929 55.803 -0.231 0.000 0.840 367 Q CB -0.227 28.596 28.738 0.141 0.000 0.898 367 Q HN 0.335 nan 8.270 nan 0.000 0.430 368 L N 0.657 121.362 121.223 -0.863 0.000 1.989 368 L HA -0.228 4.128 4.340 0.027 0.000 0.211 368 L C 2.119 178.500 176.870 -0.816 0.000 1.071 368 L CA 1.683 55.824 54.840 -1.164 0.000 0.749 368 L CB -0.638 40.947 42.059 -0.790 0.000 0.890 368 L HN 0.289 nan 8.230 nan 0.000 0.431 369 T N -0.035 114.155 114.554 -0.606 0.000 2.653 369 T HA -0.259 4.107 4.350 0.027 0.000 0.268 369 T C 1.611 176.045 174.700 -0.444 0.000 1.035 369 T CA 2.002 63.814 62.100 -0.480 0.000 1.154 369 T CB -0.215 68.504 68.868 -0.249 0.000 0.862 369 T HN 0.490 nan 8.240 nan 0.000 0.441 370 E N 0.647 120.606 120.200 -0.402 0.000 2.150 370 E HA -0.017 4.349 4.350 0.027 0.000 0.193 370 E C 2.527 178.866 176.600 -0.435 0.000 0.985 370 E CA 0.815 57.005 56.400 -0.350 0.000 0.814 370 E CB -0.172 29.366 29.700 -0.271 0.000 0.752 370 E HN 0.500 nan 8.360 nan 0.000 0.466 371 A N 1.130 123.628 122.820 -0.538 0.000 1.855 371 A HA -0.133 4.204 4.320 0.027 0.000 0.215 371 A C 2.542 179.870 177.584 -0.427 0.000 1.191 371 A CA 1.101 52.870 52.037 -0.446 0.000 0.613 371 A CB -0.800 17.905 19.000 -0.492 0.000 0.829 371 A HN 0.103 nan 8.150 nan 0.000 0.442 372 V N 0.803 120.365 119.914 -0.588 0.000 2.278 372 V HA -0.377 3.760 4.120 0.027 0.000 0.251 372 V C 2.855 178.625 176.094 -0.539 0.000 1.062 372 V CA 2.708 64.539 62.300 -0.782 0.000 1.038 372 V CB -1.026 30.167 31.823 -1.050 0.000 0.646 372 V HN 0.853 nan 8.190 nan 0.000 0.447 373 Q N 1.013 120.554 119.800 -0.431 0.000 2.002 373 Q HA -0.232 4.124 4.340 0.027 0.000 0.204 373 Q C 2.116 177.979 176.000 -0.227 0.000 0.988 373 Q CA 2.140 57.773 55.803 -0.283 0.000 0.843 373 Q CB -0.528 28.070 28.738 -0.233 0.000 0.908 373 Q HN 0.566 nan 8.270 nan 0.000 0.420 374 K N 0.090 120.321 120.400 -0.282 0.000 2.044 374 K HA -0.152 4.185 4.320 0.027 0.000 0.210 374 K C 2.276 178.771 176.600 -0.176 0.000 1.049 374 K CA 1.806 57.934 56.287 -0.266 0.000 0.927 374 K CB -0.434 31.776 32.500 -0.483 0.000 0.713 374 K HN 0.337 nan 8.250 nan 0.000 0.443 375 I N 1.040 121.498 120.570 -0.187 0.000 2.099 375 I HA -0.302 3.885 4.170 0.027 0.000 0.239 375 I C 2.340 178.445 176.117 -0.020 0.000 1.066 375 I CA 1.497 62.704 61.300 -0.155 0.000 1.324 375 I CB -0.779 37.134 38.000 -0.146 0.000 1.037 375 I HN 0.210 nan 8.210 nan 0.000 0.401 376 T N 0.179 114.764 114.554 0.052 0.000 2.685 376 T HA -0.232 4.134 4.350 0.027 0.000 0.268 376 T C 1.865 176.573 174.700 0.013 0.000 1.034 376 T CA 2.258 64.411 62.100 0.089 0.000 1.149 376 T CB -0.464 68.433 68.868 0.049 0.000 0.860 376 T HN 0.407 nan 8.240 nan 0.000 0.449 377 T N 2.020 116.553 114.554 -0.036 0.000 2.737 377 T HA -0.122 4.244 4.350 0.027 0.000 0.265 377 T C 2.079 176.739 174.700 -0.066 0.000 1.038 377 T CA 1.639 63.711 62.100 -0.047 0.000 1.144 377 T CB -0.323 68.506 68.868 -0.065 0.000 0.866 377 T HN 0.784 nan 8.240 nan 0.000 0.434 378 E N 1.260 121.408 120.200 -0.086 0.000 2.150 378 E HA -0.088 4.278 4.350 0.027 0.000 0.193 378 E C 2.177 178.664 176.600 -0.189 0.000 0.985 378 E CA 1.373 57.690 56.400 -0.138 0.000 0.814 378 E CB -0.342 29.276 29.700 -0.137 0.000 0.752 378 E HN 0.303 nan 8.360 nan 0.000 0.466 379 S N 1.461 117.121 115.700 -0.067 0.000 2.343 379 S HA -0.140 4.347 4.470 0.027 0.000 0.219 379 S C 2.044 176.636 174.600 -0.014 0.000 1.033 379 S CA 1.372 59.612 58.200 0.067 0.000 1.014 379 S CB -0.393 62.927 63.200 0.199 0.000 0.915 379 S HN 0.255 nan 8.310 nan 0.000 0.435 380 I N 1.504 122.068 120.570 -0.009 0.000 2.185 380 I HA -0.208 3.978 4.170 0.027 0.000 0.246 380 I C 2.205 178.279 176.117 -0.073 0.000 1.088 380 I CA 1.088 62.378 61.300 -0.015 0.000 1.347 380 I CB -0.590 37.408 38.000 -0.003 0.000 1.041 380 I HN 0.155 nan 8.210 nan 0.000 0.415 381 V N 0.886 120.727 119.914 -0.121 0.000 2.343 381 V HA -0.265 3.871 4.120 0.027 0.000 0.247 381 V C 2.192 178.141 176.094 -0.242 0.000 1.051 381 V CA 1.852 64.063 62.300 -0.149 0.000 1.036 381 V CB -0.386 31.348 31.823 -0.149 0.000 0.654 381 V HN 0.331 nan 8.190 nan 0.000 0.451 382 I N -1.617 118.699 120.570 -0.423 0.000 2.206 382 I HA -0.136 4.051 4.170 0.027 0.000 0.239 382 I C 2.155 177.849 176.117 -0.706 0.000 1.078 382 I CA 1.511 62.373 61.300 -0.730 0.000 1.367 382 I CB -0.260 36.912 38.000 -1.380 0.000 1.078 382 I HN 0.364 nan 8.210 nan 0.000 0.413 383 W N 0.468 121.622 121.300 -0.244 0.000 3.177 383 W HA 0.337 5.013 4.660 0.027 0.000 0.309 383 W C 1.558 177.970 176.519 -0.179 0.000 1.224 383 W CA 0.724 57.858 57.345 -0.352 0.000 1.718 383 W CB -0.542 28.546 29.460 -0.621 0.000 1.078 383 W HN 0.403 nan 8.180 nan 0.000 0.618 384 G N 1.989 110.810 108.800 0.035 0.000 2.168 384 G HA2 -0.316 3.660 3.960 0.027 0.000 0.263 384 G HA3 -0.316 3.660 3.960 0.027 0.000 0.263 384 G C 0.292 175.230 174.900 0.063 0.000 0.977 384 G CA 1.077 46.203 45.100 0.043 0.000 0.659 384 G HN 0.372 nan 8.290 nan 0.000 0.533 385 K N -1.001 119.448 120.400 0.082 0.000 2.509 385 K HA 0.736 5.073 4.320 0.027 0.000 0.266 385 K C -0.404 176.219 176.600 0.039 0.000 0.987 385 K CA -0.391 55.929 56.287 0.055 0.000 0.868 385 K CB 1.314 33.843 32.500 0.048 0.000 1.421 385 K HN 0.467 nan 8.250 nan 0.000 0.444 386 T N -0.877 113.679 114.554 0.004 0.000 2.867 386 T HA 0.503 4.869 4.350 0.027 0.000 0.282 386 T C -2.437 172.159 174.700 -0.174 0.000 1.000 386 T CA -1.724 60.355 62.100 -0.035 0.000 1.042 386 T CB 1.071 69.955 68.868 0.027 0.000 0.973 386 T HN 0.333 nan 8.240 nan 0.000 0.465 387 P HA 0.339 nan 4.420 nan 0.000 0.276 387 P C -0.674 176.192 177.300 -0.723 0.000 1.252 387 P CA -0.824 61.914 63.100 -0.602 0.000 0.802 387 P CB 0.492 31.702 31.700 -0.818 0.000 1.035 388 K N 1.241 121.315 120.400 -0.544 0.000 2.201 388 K HA 0.404 4.741 4.320 0.027 0.000 0.278 388 K C -0.593 175.736 176.600 -0.452 0.000 1.027 388 K CA -0.217 55.864 56.287 -0.342 0.000 0.909 388 K CB 0.389 32.768 32.500 -0.201 0.000 1.062 388 K HN 0.303 nan 8.250 nan 0.000 0.465 389 F N 1.847 121.750 119.950 -0.077 0.000 2.399 389 F HA 0.278 4.820 4.527 0.025 0.000 0.334 389 F C 0.674 176.493 175.800 0.032 0.000 1.097 389 F CA -0.760 57.203 58.000 -0.062 0.000 1.076 389 F CB 1.132 40.061 39.000 -0.118 0.000 1.162 389 F HN 0.082 nan 8.300 nan 0.000 0.495 390 K N 5.317 125.831 120.400 0.190 0.000 2.404 390 K HA 0.470 4.807 4.320 0.027 0.000 0.257 390 K C -1.065 175.634 176.600 0.165 0.000 1.026 390 K CA -0.201 56.182 56.287 0.159 0.000 0.951 390 K CB 1.374 33.922 32.500 0.080 0.000 1.203 390 K HN 0.593 nan 8.250 nan 0.000 0.446 391 L N 4.426 125.783 121.223 0.223 0.000 2.329 391 L HA 0.400 4.756 4.340 0.027 0.000 0.279 391 L C -1.848 175.139 176.870 0.193 0.000 1.014 391 L CA -2.099 52.792 54.840 0.085 0.000 0.814 391 L CB 1.996 43.897 42.059 -0.265 0.000 1.257 391 L HN 0.223 nan 8.230 nan 0.000 0.424 392 P HA 0.178 nan 4.420 nan 0.000 0.226 392 P C -0.643 176.826 177.300 0.280 0.000 1.783 392 P CA 0.433 63.674 63.100 0.236 0.000 0.980 392 P CB 0.222 32.017 31.700 0.159 0.000 1.967 393 I N -0.577 120.228 120.570 0.392 0.000 2.787 393 I HA 0.232 4.418 4.170 0.027 0.000 0.294 393 I C -1.170 175.063 176.117 0.193 0.000 1.365 393 I CA -0.944 60.461 61.300 0.175 0.000 1.029 393 I CB 2.838 40.810 38.000 -0.047 0.000 1.313 393 I HN -0.115 nan 8.210 nan 0.000 0.431 394 Q N 5.581 125.301 119.800 -0.132 0.000 2.293 394 Q HA 0.265 4.622 4.340 0.027 0.000 0.251 394 Q C 0.431 176.529 176.000 0.163 0.000 0.930 394 Q CA -0.746 54.869 55.803 -0.314 0.000 0.893 394 Q CB 1.545 30.031 28.738 -0.420 0.000 1.215 394 Q HN 0.490 nan 8.270 nan 0.000 0.425 395 K N 2.065 122.570 120.400 0.177 0.000 2.113 395 K HA -0.216 4.121 4.320 0.027 0.000 0.208 395 K C 1.454 178.229 176.600 0.291 0.000 1.047 395 K CA 1.594 58.062 56.287 0.301 0.000 0.928 395 K CB 0.167 32.703 32.500 0.060 0.000 0.716 395 K HN 0.555 nan 8.250 nan 0.000 0.446 396 E N -0.139 120.138 120.200 0.129 0.000 2.051 396 E HA -0.112 4.255 4.350 0.027 0.000 0.192 396 E C 2.080 178.755 176.600 0.124 0.000 0.991 396 E CA 1.739 58.197 56.400 0.096 0.000 0.799 396 E CB -0.413 29.299 29.700 0.018 0.000 0.748 396 E HN 0.243 nan 8.360 nan 0.000 0.449 397 T N 0.657 115.281 114.554 0.116 0.000 2.674 397 T HA -0.196 4.171 4.350 0.027 0.000 0.265 397 T C 1.366 176.199 174.700 0.222 0.000 1.039 397 T CA 1.286 63.452 62.100 0.111 0.000 1.150 397 T CB -0.549 68.344 68.868 0.042 0.000 0.864 397 T HN 0.414 nan 8.240 nan 0.000 0.427 398 W N 2.380 123.786 121.300 0.177 0.000 2.317 398 W HA -0.196 4.478 4.660 0.024 0.000 0.318 398 W C 2.018 178.849 176.519 0.519 0.000 1.227 398 W CA 1.463 58.990 57.345 0.302 0.000 1.269 398 W CB -0.282 29.386 29.460 0.346 0.000 1.155 398 W HN 0.233 nan 8.180 nan 0.000 0.484 399 E N 0.032 120.441 120.200 0.349 0.000 2.048 399 E HA -0.231 4.135 4.350 0.027 0.000 0.202 399 E C 2.003 178.482 176.600 -0.202 0.000 1.021 399 E CA 2.750 59.228 56.400 0.130 0.000 0.825 399 E CB -0.966 28.851 29.700 0.194 0.000 0.756 399 E HN 0.265 nan 8.360 nan 0.000 0.454 400 T N 0.258 114.776 114.554 -0.060 0.000 2.720 400 T HA -0.203 4.163 4.350 0.027 0.000 0.268 400 T C 1.409 176.041 174.700 -0.113 0.000 1.037 400 T CA 1.639 63.684 62.100 -0.092 0.000 1.144 400 T CB -0.474 68.390 68.868 -0.007 0.000 0.864 400 T HN 0.382 nan 8.240 nan 0.000 0.444 401 W N 1.628 122.782 121.300 -0.243 0.000 2.380 401 W HA -0.054 4.625 4.660 0.033 0.000 0.317 401 W C 2.373 178.707 176.519 -0.309 0.000 1.196 401 W CA 1.150 58.349 57.345 -0.244 0.000 1.307 401 W CB -0.485 28.840 29.460 -0.225 0.000 1.157 401 W HN 0.452 nan 8.180 nan 0.000 0.483 402 W N 1.719 122.734 121.300 -0.474 0.000 2.363 402 W HA -0.166 4.509 4.660 0.024 0.000 0.296 402 W C 1.823 178.058 176.519 -0.472 0.000 1.212 402 W CA 2.380 59.282 57.345 -0.738 0.000 1.260 402 W CB -1.681 27.192 29.460 -0.979 0.000 1.131 402 W HN 0.061 nan 8.180 nan 0.000 0.530 403 T N 0.419 114.148 114.554 -1.375 0.000 2.849 403 T HA -0.279 4.088 4.350 0.027 0.000 0.270 403 T C 1.395 175.728 174.700 -0.613 0.000 1.066 403 T CA 1.960 63.300 62.100 -1.266 0.000 1.130 403 T CB -0.475 67.762 68.868 -1.052 0.000 0.864 403 T HN 0.527 nan 8.240 nan 0.000 0.481 404 E N -0.882 119.031 120.200 -0.478 0.000 2.490 404 E HA 0.198 4.564 4.350 0.027 0.000 0.209 404 E C 0.405 176.839 176.600 -0.276 0.000 0.971 404 E CA -0.848 55.366 56.400 -0.311 0.000 0.988 404 E CB -0.455 29.104 29.700 -0.235 0.000 1.029 404 E HN 0.537 nan 8.360 nan 0.000 0.496 405 Y N 2.374 122.317 120.300 -0.596 0.000 2.578 405 Y HA -0.089 4.479 4.550 0.029 0.000 0.339 405 Y C 1.314 176.994 175.900 -0.367 0.000 1.231 405 Y CA -0.117 57.595 58.100 -0.645 0.000 1.461 405 Y CB 0.545 38.260 38.460 -1.241 0.000 1.323 405 Y HN 0.297 nan 8.280 nan 0.000 0.590 406 W N 3.578 124.426 121.300 -0.753 0.000 2.467 406 W HA -0.007 4.669 4.660 0.027 0.000 0.275 406 W C -0.308 176.020 176.519 -0.318 0.000 1.239 406 W CA 0.360 57.410 57.345 -0.491 0.000 1.266 406 W CB -0.329 28.820 29.460 -0.517 0.000 1.112 406 W HN 0.519 nan 8.180 nan 0.000 0.576 407 Q N 1.209 120.187 119.800 -1.370 0.000 2.222 407 Q HA 0.509 4.865 4.340 0.027 0.000 0.252 407 Q C -0.255 175.553 176.000 -0.320 0.000 0.926 407 Q CA -0.454 54.721 55.803 -1.047 0.000 0.899 407 Q CB 1.871 29.741 28.738 -1.447 0.000 1.250 407 Q HN 0.049 nan 8.270 nan 0.000 0.441 408 A N 2.308 125.014 122.820 -0.190 0.000 2.450 408 A HA 0.406 4.742 4.320 0.027 0.000 0.255 408 A C -0.151 177.441 177.584 0.014 0.000 1.096 408 A CA 0.338 52.354 52.037 -0.036 0.000 0.778 408 A CB 0.683 19.669 19.000 -0.023 0.000 1.031 408 A HN 0.643 nan 8.150 nan 0.000 0.494 409 T N 1.203 115.822 114.554 0.108 0.000 2.821 409 T HA 0.602 4.968 4.350 0.027 0.000 0.306 409 T C -2.004 172.887 174.700 0.319 0.000 1.313 409 T CA -0.278 61.941 62.100 0.199 0.000 1.012 409 T CB 0.921 69.941 68.868 0.253 0.000 1.298 409 T HN 1.248 nan 8.240 nan 0.000 0.502 410 W N 3.068 124.424 121.300 0.093 0.000 3.161 410 W HA 0.701 5.379 4.660 0.030 0.000 0.314 410 W C -2.659 173.755 176.519 -0.174 0.000 1.245 410 W CA -0.931 56.416 57.345 0.003 0.000 1.191 410 W CB 0.881 30.286 29.460 -0.093 0.000 1.392 410 W HN 0.668 nan 8.180 nan 0.000 0.568 411 I N 5.501 125.420 120.570 -1.085 0.000 2.478 411 I HA 0.272 4.459 4.170 0.027 0.000 0.287 411 I C -2.009 173.157 176.117 -1.585 0.000 1.042 411 I CA -2.023 58.463 61.300 -1.357 0.000 1.067 411 I CB 2.005 39.071 38.000 -1.557 0.000 1.233 411 I HN 0.073 nan 8.210 nan 0.000 0.431 412 P HA -0.078 nan 4.420 nan 0.000 0.272 412 P C -0.198 176.949 177.300 -0.255 0.000 1.243 412 P CA -0.260 62.248 63.100 -0.985 0.000 0.803 412 P CB 0.428 31.860 31.700 -0.448 0.000 0.974 413 E N 1.606 121.788 120.200 -0.030 0.000 2.868 413 E HA -0.090 4.276 4.350 0.027 0.000 0.246 413 E C -0.737 175.941 176.600 0.129 0.000 0.962 413 E CA 0.432 56.850 56.400 0.030 0.000 0.955 413 E CB 0.012 29.726 29.700 0.023 0.000 0.903 413 E HN 0.361 nan 8.360 nan 0.000 0.524 414 W N 3.528 124.765 121.300 -0.106 0.000 3.040 414 W HA 0.674 5.346 4.660 0.021 0.000 0.344 414 W C -1.247 175.246 176.519 -0.043 0.000 1.201 414 W CA -1.117 56.188 57.345 -0.067 0.000 1.119 414 W CB 0.736 30.097 29.460 -0.165 0.000 1.478 414 W HN 0.485 nan 8.180 nan 0.000 0.586 415 E N 1.130 121.425 120.200 0.159 0.000 2.321 415 E HA 0.343 4.709 4.350 0.027 0.000 0.278 415 E C -1.818 174.952 176.600 0.283 0.000 0.902 415 E CA -0.811 55.568 56.400 -0.035 0.000 0.758 415 E CB 2.602 32.289 29.700 -0.022 0.000 1.213 415 E HN 0.282 nan 8.360 nan 0.000 0.426 416 F N 4.621 124.613 119.950 0.071 0.000 2.529 416 F HA 0.348 4.881 4.527 0.009 0.000 0.365 416 F C -1.029 174.858 175.800 0.145 0.000 1.102 416 F CA -0.108 58.046 58.000 0.256 0.000 1.271 416 F CB 1.020 40.129 39.000 0.181 0.000 1.120 416 F HN 0.147 nan 8.300 nan 0.000 0.579 417 V N 7.221 126.766 119.914 -0.616 0.000 2.483 417 V HA 0.300 4.436 4.120 0.027 0.000 0.297 417 V C -0.617 174.903 176.094 -0.956 0.000 1.027 417 V CA -0.853 61.061 62.300 -0.644 0.000 0.855 417 V CB 1.246 32.953 31.823 -0.195 0.000 0.995 417 V HN 0.835 nan 8.190 nan 0.000 0.424 418 N N 4.464 122.595 118.700 -0.947 0.000 2.971 418 N HA 0.095 4.851 4.740 0.027 0.000 0.294 418 N C -0.264 175.165 175.510 -0.134 0.000 1.210 418 N CA 0.479 53.266 53.050 -0.438 0.000 1.157 418 N CB -0.014 38.385 38.487 -0.146 0.000 1.450 418 N HN 0.719 nan 8.380 nan 0.000 0.527 419 T N 2.712 117.219 114.554 -0.078 0.000 2.977 419 T HA 0.424 4.790 4.350 0.027 0.000 0.346 419 T C -2.674 172.044 174.700 0.030 0.000 1.140 419 T CA -1.954 60.135 62.100 -0.018 0.000 1.040 419 T CB 0.447 69.299 68.868 -0.026 0.000 1.046 419 T HN 0.189 nan 8.240 nan 0.000 0.494 420 P HA 0.230 nan 4.420 nan 0.000 0.268 420 P C -2.406 174.905 177.300 0.020 0.000 1.208 420 P CA -0.927 62.197 63.100 0.040 0.000 0.777 420 P CB 0.025 31.746 31.700 0.036 0.000 0.875 421 P HA 0.210 nan 4.420 nan 0.000 0.287 421 P C -0.656 176.659 177.300 0.024 0.000 1.281 421 P CA -0.066 63.042 63.100 0.014 0.000 0.781 421 P CB 0.706 32.407 31.700 0.002 0.000 0.903 422 L N 3.047 124.294 121.223 0.041 0.000 2.439 422 L HA 0.208 4.565 4.340 0.027 0.000 0.269 422 L C 1.055 177.919 176.870 -0.010 0.000 1.179 422 L CA -0.879 54.001 54.840 0.067 0.000 0.828 422 L CB 0.873 42.993 42.059 0.101 0.000 1.106 422 L HN 0.276 nan 8.230 nan 0.000 0.467 423 V N 0.725 120.649 119.914 0.015 0.000 2.498 423 V HA 0.579 4.716 4.120 0.027 0.000 0.279 423 V C -0.350 175.662 176.094 -0.137 0.000 1.048 423 V CA -0.505 61.776 62.300 -0.032 0.000 0.967 423 V CB 1.085 32.974 31.823 0.110 0.000 0.988 423 V HN 0.871 nan 8.190 nan 0.000 0.473 424 K N 4.458 124.672 120.400 -0.311 0.000 2.509 424 K HA 0.663 4.999 4.320 0.027 0.000 0.266 424 K C -1.066 175.256 176.600 -0.463 0.000 0.987 424 K CA -1.000 55.074 56.287 -0.355 0.000 0.868 424 K CB 1.373 33.657 32.500 -0.360 0.000 1.421 424 K HN 0.606 nan 8.250 nan 0.000 0.444 425 L N 2.680 123.730 121.223 -0.288 0.000 2.456 425 L HA 0.163 4.519 4.340 0.027 0.000 0.277 425 L C 0.274 177.031 176.870 -0.187 0.000 1.124 425 L CA -0.277 54.446 54.840 -0.195 0.000 0.880 425 L CB -0.048 41.962 42.059 -0.081 0.000 1.192 425 L HN 0.644 nan 8.230 nan 0.000 0.463 426 W N 3.557 124.836 121.300 -0.036 0.000 2.364 426 W HA -0.145 4.530 4.660 0.026 0.000 0.281 426 W C 0.449 177.073 176.519 0.176 0.000 1.219 426 W CA 0.432 57.819 57.345 0.070 0.000 1.220 426 W CB -0.165 29.375 29.460 0.134 0.000 1.127 426 W HN 0.543 nan 8.180 nan 0.000 0.556 427 Y N -3.615 116.830 120.300 0.241 0.000 2.741 427 Y HA 0.533 5.098 4.550 0.026 0.000 0.339 427 Y C -1.255 174.724 175.900 0.131 0.000 1.226 427 Y CA -2.230 55.967 58.100 0.161 0.000 1.072 427 Y CB 0.455 39.007 38.460 0.153 0.000 1.331 427 Y HN -0.176 nan 8.280 nan 0.000 0.453 428 Q N 2.430 122.404 119.800 0.289 0.000 2.275 428 Q HA 0.472 4.828 4.340 0.027 0.000 0.258 428 Q C -1.537 174.604 176.000 0.235 0.000 0.960 428 Q CA -0.745 55.166 55.803 0.180 0.000 0.801 428 Q CB 2.887 31.680 28.738 0.091 0.000 1.302 428 Q HN 0.748 nan 8.270 nan 0.000 0.433 429 L N 2.116 123.485 121.223 0.245 0.000 2.456 429 L HA 0.117 4.473 4.340 0.027 0.000 0.272 429 L C 0.791 177.757 176.870 0.159 0.000 1.189 429 L CA -0.153 54.797 54.840 0.184 0.000 0.846 429 L CB 0.214 42.355 42.059 0.137 0.000 1.111 429 L HN 0.411 nan 8.230 nan 0.000 0.475 430 E N 2.056 122.371 120.200 0.193 0.000 2.404 430 E HA -0.024 4.342 4.350 0.027 0.000 0.261 430 E C 0.400 177.168 176.600 0.281 0.000 1.074 430 E CA 0.093 56.619 56.400 0.210 0.000 0.917 430 E CB 0.861 30.695 29.700 0.224 0.000 0.965 430 E HN 0.382 nan 8.360 nan 0.000 0.433 431 K N 0.707 121.209 120.400 0.170 0.000 2.305 431 K HA -0.052 4.285 4.320 0.027 0.000 0.199 431 K C 0.348 177.046 176.600 0.162 0.000 1.047 431 K CA 0.672 57.056 56.287 0.162 0.000 0.976 431 K CB 0.420 32.961 32.500 0.067 0.000 0.765 431 K HN 0.534 nan 8.250 nan 0.000 0.474 432 E N -0.029 120.138 120.200 -0.055 0.000 2.393 432 E HA 0.350 4.716 4.350 0.027 0.000 0.273 432 E C -2.843 173.180 176.600 -0.961 0.000 0.918 432 E CA -2.681 53.458 56.400 -0.435 0.000 0.773 432 E CB 1.615 31.184 29.700 -0.218 0.000 1.275 432 E HN -0.225 nan 8.360 nan 0.000 0.451 433 P HA 0.012 nan 4.420 nan 0.000 0.266 433 P C -0.244 176.855 177.300 -0.334 0.000 1.193 433 P CA 0.257 62.817 63.100 -0.900 0.000 0.770 433 P CB 0.587 31.995 31.700 -0.488 0.000 0.836 434 I N 2.071 122.560 120.570 -0.135 0.000 2.371 434 I HA 0.119 4.305 4.170 0.027 0.000 0.290 434 I C 0.660 176.762 176.117 -0.025 0.000 1.028 434 I CA -0.921 60.352 61.300 -0.044 0.000 1.345 434 I CB 0.947 38.961 38.000 0.023 0.000 1.407 434 I HN 0.040 nan 8.210 nan 0.000 0.501 435 V N 5.666 125.565 119.914 -0.024 0.000 2.555 435 V HA 0.291 4.427 4.120 0.027 0.000 0.286 435 V C 1.117 177.216 176.094 0.008 0.000 1.044 435 V CA 0.317 62.611 62.300 -0.010 0.000 1.026 435 V CB 0.732 32.547 31.823 -0.014 0.000 0.981 435 V HN 1.138 nan 8.190 nan 0.000 0.480 436 G N 3.582 112.392 108.800 0.017 0.000 2.246 436 G HA2 0.074 4.050 3.960 0.027 0.000 0.273 436 G HA3 0.074 4.050 3.960 0.027 0.000 0.273 436 G C 0.048 174.970 174.900 0.038 0.000 1.055 436 G CA 0.235 45.350 45.100 0.025 0.000 0.851 436 G HN 1.582 nan 8.290 nan 0.000 0.500 437 A N -0.816 122.033 122.820 0.049 0.000 2.435 437 A HA 0.833 5.169 4.320 0.027 0.000 0.304 437 A C -0.011 177.634 177.584 0.102 0.000 1.064 437 A CA -0.067 52.013 52.037 0.072 0.000 0.727 437 A CB 1.264 20.305 19.000 0.069 0.000 1.284 437 A HN 0.614 nan 8.150 nan 0.000 0.415 438 E N 0.425 120.712 120.200 0.145 0.000 2.392 438 E HA 0.331 4.698 4.350 0.027 0.000 0.264 438 E C -0.675 176.084 176.600 0.265 0.000 1.024 438 E CA 0.295 56.809 56.400 0.189 0.000 0.903 438 E CB 0.514 30.380 29.700 0.277 0.000 0.963 438 E HN 0.501 nan 8.360 nan 0.000 0.432 439 T N 4.941 119.617 114.554 0.203 0.000 2.788 439 T HA 0.319 4.685 4.350 0.027 0.000 0.296 439 T C -1.072 173.775 174.700 0.245 0.000 1.009 439 T CA -0.438 61.794 62.100 0.221 0.000 0.949 439 T CB -0.011 68.958 68.868 0.169 0.000 0.946 439 T HN 0.221 nan 8.240 nan 0.000 0.453 440 F N 2.732 122.680 119.950 -0.003 0.000 2.391 440 F HA 0.387 4.931 4.527 0.029 0.000 0.359 440 F C -0.057 175.747 175.800 0.006 0.000 1.122 440 F CA -1.489 56.537 58.000 0.043 0.000 1.120 440 F CB 0.594 39.529 39.000 -0.107 0.000 1.142 440 F HN 0.522 nan 8.300 nan 0.000 0.483 441 Y N 3.504 123.922 120.300 0.197 0.000 2.676 441 Y HA 0.389 4.956 4.550 0.028 0.000 0.338 441 Y C 0.278 176.275 175.900 0.162 0.000 1.057 441 Y CA -0.963 57.214 58.100 0.129 0.000 1.314 441 Y CB 0.482 38.980 38.460 0.064 0.000 1.164 441 Y HN 0.386 nan 8.280 nan 0.000 0.509 442 V N -0.217 119.834 119.914 0.227 0.000 2.686 442 V HA 0.710 4.846 4.120 0.027 0.000 0.295 442 V C -0.505 175.674 176.094 0.141 0.000 1.057 442 V CA -0.363 62.068 62.300 0.217 0.000 1.012 442 V CB 1.929 33.854 31.823 0.170 0.000 1.006 442 V HN 0.548 nan 8.190 nan 0.000 0.477 443 D N 1.314 121.791 120.400 0.127 0.000 2.803 443 D HA 0.721 5.378 4.640 0.027 0.000 0.218 443 D C -0.505 175.835 176.300 0.067 0.000 1.245 443 D CA 0.464 54.509 54.000 0.076 0.000 0.821 443 D CB 2.079 42.910 40.800 0.050 0.000 1.626 443 D HN 1.182 nan 8.370 nan 0.000 0.487 444 G N 0.214 109.044 108.800 0.049 0.000 2.719 444 G HA2 0.815 4.791 3.960 0.027 0.000 0.298 444 G HA3 0.815 4.791 3.960 0.027 0.000 0.298 444 G C -1.575 173.344 174.900 0.032 0.000 1.411 444 G CA -0.277 44.850 45.100 0.044 0.000 0.991 444 G HN 0.582 nan 8.290 nan 0.000 0.509 445 A N -0.014 122.824 122.820 0.030 0.000 2.549 445 A HA 1.038 5.375 4.320 0.027 0.000 0.297 445 A C -0.556 177.044 177.584 0.027 0.000 1.061 445 A CA -0.082 51.973 52.037 0.031 0.000 0.690 445 A CB 1.766 20.787 19.000 0.034 0.000 1.287 445 A HN 2.386 nan 8.150 nan 0.000 0.402 446 A N 1.225 124.061 122.820 0.028 0.000 2.520 446 A HA 0.684 5.020 4.320 0.027 0.000 0.298 446 A C -0.859 176.738 177.584 0.022 0.000 1.051 446 A CA -0.680 51.370 52.037 0.021 0.000 0.690 446 A CB 1.152 20.161 19.000 0.015 0.000 1.281 446 A HN 0.900 nan 8.150 nan 0.000 0.402 447 N N 1.534 120.245 118.700 0.018 0.000 2.406 447 N HA 0.001 4.758 4.740 0.027 0.000 0.265 447 N C 1.526 177.045 175.510 0.014 0.000 1.203 447 N CA 0.009 53.070 53.050 0.017 0.000 0.945 447 N CB 0.448 38.943 38.487 0.014 0.000 1.165 447 N HN 0.734 nan 8.380 nan 0.000 0.485 448 R N 3.366 123.876 120.500 0.016 0.000 2.140 448 R HA -0.214 4.142 4.340 0.027 0.000 0.250 448 R C 0.837 177.143 176.300 0.010 0.000 1.150 448 R CA 1.537 57.645 56.100 0.013 0.000 0.966 448 R CB -0.359 29.950 30.300 0.016 0.000 0.869 448 R HN 0.571 nan 8.270 nan 0.000 0.445 449 E N 0.745 120.951 120.200 0.009 0.000 2.028 449 E HA -0.104 4.263 4.350 0.027 0.000 0.190 449 E C 2.150 178.754 176.600 0.006 0.000 0.984 449 E CA 1.752 58.156 56.400 0.007 0.000 0.800 449 E CB -0.183 29.521 29.700 0.007 0.000 0.758 449 E HN 0.629 nan 8.360 nan 0.000 0.448 450 T N -0.882 113.676 114.554 0.007 0.000 3.085 450 T HA -0.000 4.366 4.350 0.027 0.000 0.263 450 T C 0.855 175.559 174.700 0.006 0.000 1.127 450 T CA 0.187 62.290 62.100 0.006 0.000 1.103 450 T CB 0.012 68.884 68.868 0.006 0.000 0.921 450 T HN -0.049 nan 8.240 nan 0.000 0.510 451 K N 0.396 120.800 120.400 0.006 0.000 3.129 451 K HA -0.100 4.237 4.320 0.027 0.000 0.273 451 K C -0.528 176.075 176.600 0.006 0.000 1.123 451 K CA 0.191 56.481 56.287 0.005 0.000 0.800 451 K CB -1.740 30.762 32.500 0.003 0.000 1.238 451 K HN 0.416 nan 8.250 nan 0.000 0.492 452 L N 0.384 121.612 121.223 0.008 0.000 2.341 452 L HA 0.690 5.047 4.340 0.027 0.000 0.278 452 L C 0.760 177.636 176.870 0.011 0.000 1.005 452 L CA 0.240 55.085 54.840 0.008 0.000 0.818 452 L CB 1.648 43.711 42.059 0.007 0.000 1.259 452 L HN 0.319 nan 8.230 nan 0.000 0.418 453 G N 3.913 112.720 108.800 0.012 0.000 2.788 453 G HA2 0.608 4.584 3.960 0.027 0.000 0.293 453 G HA3 0.608 4.584 3.960 0.027 0.000 0.293 453 G C -1.541 173.368 174.900 0.015 0.000 1.392 453 G CA -0.507 44.602 45.100 0.014 0.000 0.810 453 G HN 0.427 nan 8.290 nan 0.000 0.508 454 K N -0.671 119.739 120.400 0.017 0.000 2.468 454 K HA 0.681 5.018 4.320 0.027 0.000 0.252 454 K C -1.090 175.526 176.600 0.026 0.000 0.932 454 K CA -0.619 55.677 56.287 0.016 0.000 0.794 454 K CB 2.566 35.072 32.500 0.009 0.000 1.241 454 K HN 0.754 nan 8.250 nan 0.000 0.428 455 A N 1.515 124.354 122.820 0.033 0.000 2.393 455 A HA 0.932 5.268 4.320 0.027 0.000 0.306 455 A C -0.590 177.030 177.584 0.060 0.000 1.050 455 A CA -0.447 51.623 52.037 0.056 0.000 0.724 455 A CB 1.814 20.855 19.000 0.068 0.000 1.248 455 A HN 0.795 nan 8.150 nan 0.000 0.424 456 G N -0.254 108.601 108.800 0.092 0.000 2.489 456 G HA2 0.719 4.695 3.960 0.027 0.000 0.305 456 G HA3 0.719 4.695 3.960 0.027 0.000 0.305 456 G C -1.342 173.677 174.900 0.198 0.000 1.311 456 G CA 0.231 45.377 45.100 0.076 0.000 0.813 456 G HN 2.017 nan 8.290 nan 0.000 0.480 457 Y N -2.960 117.388 120.300 0.080 0.000 2.725 457 Y HA 0.828 5.395 4.550 0.028 0.000 0.333 457 Y C -1.497 174.429 175.900 0.043 0.000 1.242 457 Y CA -1.414 56.753 58.100 0.112 0.000 1.059 457 Y CB 1.569 40.169 38.460 0.234 0.000 1.306 457 Y HN 1.299 nan 8.280 nan 0.000 0.454 458 V N 1.495 121.558 119.914 0.247 0.000 2.891 458 V HA 0.740 4.876 4.120 0.027 0.000 0.304 458 V C -1.021 175.134 176.094 0.102 0.000 1.171 458 V CA 0.351 62.690 62.300 0.063 0.000 0.943 458 V CB 1.874 33.690 31.823 -0.012 0.000 1.037 458 V HN 1.482 nan 8.190 nan 0.000 0.427 459 T N 2.244 116.765 114.554 -0.055 0.000 2.950 459 T HA 0.398 4.765 4.350 0.027 0.000 0.288 459 T C 1.019 175.692 174.700 -0.044 0.000 1.035 459 T CA -0.110 61.901 62.100 -0.147 0.000 1.028 459 T CB 1.483 70.052 68.868 -0.498 0.000 1.109 459 T HN 0.933 nan 8.240 nan 0.000 0.514 460 N N 1.179 119.890 118.700 0.018 0.000 2.520 460 N HA -0.112 4.645 4.740 0.027 0.000 0.185 460 N C 1.111 176.615 175.510 -0.010 0.000 1.068 460 N CA 0.441 53.505 53.050 0.024 0.000 0.911 460 N CB -0.261 38.274 38.487 0.080 0.000 0.961 460 N HN 0.640 nan 8.380 nan 0.000 0.446 461 R N -0.385 120.094 120.500 -0.035 0.000 2.426 461 R HA 0.182 4.538 4.340 0.027 0.000 0.263 461 R C 0.900 177.175 176.300 -0.041 0.000 0.961 461 R CA 0.404 56.486 56.100 -0.031 0.000 1.086 461 R CB 0.071 30.355 30.300 -0.027 0.000 1.186 461 R HN 0.401 nan 8.270 nan 0.000 0.537 462 G N 1.374 110.143 108.800 -0.051 0.000 2.304 462 G HA2 -0.394 3.582 3.960 0.027 0.000 0.252 462 G HA3 -0.394 3.582 3.960 0.027 0.000 0.252 462 G C 0.337 175.200 174.900 -0.062 0.000 1.014 462 G CA 0.188 45.257 45.100 -0.052 0.000 0.619 462 G HN 0.426 nan 8.290 nan 0.000 0.525 463 R N 1.403 121.864 120.500 -0.066 0.000 2.583 463 R HA 0.376 4.732 4.340 0.027 0.000 0.274 463 R C 0.286 176.538 176.300 -0.080 0.000 0.998 463 R CA 1.192 57.266 56.100 -0.044 0.000 1.081 463 R CB 0.071 30.363 30.300 -0.012 0.000 0.940 463 R HN 0.630 nan 8.270 nan 0.000 0.413 464 Q N 2.563 122.267 119.800 -0.161 0.000 2.511 464 Q HA 0.554 4.911 4.340 0.027 0.000 0.289 464 Q C -1.549 174.146 176.000 -0.508 0.000 1.021 464 Q CA -1.180 54.401 55.803 -0.371 0.000 0.785 464 Q CB 2.318 30.923 28.738 -0.222 0.000 1.472 464 Q HN 0.580 nan 8.270 nan 0.000 0.411 465 K N -0.303 119.688 120.400 -0.682 0.000 2.685 465 K HA 0.769 5.106 4.320 0.027 0.000 0.290 465 K C -2.168 174.231 176.600 -0.335 0.000 1.018 465 K CA -0.812 55.191 56.287 -0.473 0.000 0.860 465 K CB 2.462 34.666 32.500 -0.493 0.000 1.498 465 K HN 0.582 nan 8.250 nan 0.000 0.390 466 V N 1.734 121.551 119.914 -0.161 0.000 3.108 466 V HA 0.614 4.750 4.120 0.027 0.000 0.287 466 V C -2.073 173.999 176.094 -0.038 0.000 1.436 466 V CA -0.506 61.745 62.300 -0.082 0.000 1.001 466 V CB 2.192 33.972 31.823 -0.072 0.000 1.141 466 V HN 0.576 nan 8.190 nan 0.000 0.443 467 V N 3.814 123.722 119.914 -0.009 0.000 2.841 467 V HA 0.634 4.770 4.120 0.027 0.000 0.310 467 V C -0.073 176.024 176.094 0.005 0.000 1.090 467 V CA -0.543 61.758 62.300 0.001 0.000 0.930 467 V CB 2.511 34.342 31.823 0.014 0.000 1.014 467 V HN 0.939 nan 8.190 nan 0.000 0.425 468 T N 5.346 119.903 114.554 0.004 0.000 2.799 468 T HA 0.719 5.085 4.350 0.027 0.000 0.286 468 T C -0.488 174.218 174.700 0.010 0.000 0.973 468 T CA -0.218 61.885 62.100 0.005 0.000 1.035 468 T CB 0.659 69.528 68.868 0.002 0.000 0.932 468 T HN 0.392 nan 8.240 nan 0.000 0.469 469 L N 2.846 124.077 121.223 0.012 0.000 2.349 469 L HA 0.454 4.810 4.340 0.027 0.000 0.278 469 L C 0.281 177.158 176.870 0.011 0.000 0.996 469 L CA -0.834 54.014 54.840 0.014 0.000 0.825 469 L CB 1.899 43.970 42.059 0.019 0.000 1.243 469 L HN 0.546 nan 8.230 nan 0.000 0.412 470 T N 0.874 115.434 114.554 0.010 0.000 2.845 470 T HA 0.219 4.585 4.350 0.027 0.000 0.288 470 T C -0.293 174.411 174.700 0.007 0.000 0.980 470 T CA -0.115 61.989 62.100 0.007 0.000 1.071 470 T CB 0.797 69.668 68.868 0.006 0.000 0.941 470 T HN 0.654 nan 8.240 nan 0.000 0.487 471 D N 0.972 121.375 120.400 0.005 0.000 2.746 471 D HA -0.121 4.536 4.640 0.027 0.000 0.236 471 D C 0.085 176.386 176.300 0.002 0.000 1.129 471 D CA 1.167 55.168 54.000 0.003 0.000 0.691 471 D CB -1.066 39.736 40.800 0.003 0.000 1.077 471 D HN 0.539 nan 8.370 nan 0.000 0.432 472 T N -1.512 113.043 114.554 0.002 0.000 2.927 472 T HA 0.780 5.146 4.350 0.027 0.000 0.286 472 T C 0.026 174.724 174.700 -0.004 0.000 1.040 472 T CA 0.255 62.355 62.100 -0.001 0.000 1.010 472 T CB 1.542 70.413 68.868 0.005 0.000 1.177 472 T HN 0.156 nan 8.240 nan 0.000 0.546 473 T N -0.259 114.289 114.554 -0.011 0.000 2.930 473 T HA 0.377 4.743 4.350 0.027 0.000 0.290 473 T C 1.220 175.912 174.700 -0.013 0.000 1.052 473 T CA -0.553 61.539 62.100 -0.013 0.000 1.017 473 T CB 1.182 70.035 68.868 -0.025 0.000 1.137 473 T HN 0.702 nan 8.240 nan 0.000 0.511 474 N N 1.422 120.118 118.700 -0.005 0.000 2.043 474 N HA -0.315 4.442 4.740 0.027 0.000 0.193 474 N C 1.750 177.250 175.510 -0.015 0.000 1.037 474 N CA 1.687 54.739 53.050 0.003 0.000 0.851 474 N CB -0.745 37.754 38.487 0.021 0.000 1.027 474 N HN 0.817 nan 8.380 nan 0.000 0.422 475 Q N 0.917 120.689 119.800 -0.046 0.000 2.152 475 Q HA -0.124 4.233 4.340 0.027 0.000 0.206 475 Q C 1.634 177.553 176.000 -0.134 0.000 0.985 475 Q CA 1.499 57.232 55.803 -0.116 0.000 0.863 475 Q CB -0.270 28.341 28.738 -0.211 0.000 0.904 475 Q HN 0.415 nan 8.270 nan 0.000 0.422 476 K N 0.276 120.618 120.400 -0.098 0.000 2.025 476 K HA -0.066 4.271 4.320 0.027 0.000 0.207 476 K C 2.293 178.878 176.600 -0.024 0.000 1.049 476 K CA 1.720 57.964 56.287 -0.072 0.000 0.933 476 K CB -0.291 32.181 32.500 -0.047 0.000 0.714 476 K HN 0.322 nan 8.250 nan 0.000 0.438 477 T N 1.562 116.112 114.554 -0.006 0.000 2.635 477 T HA -0.200 4.167 4.350 0.027 0.000 0.267 477 T C 1.616 176.335 174.700 0.033 0.000 1.040 477 T CA 1.704 63.816 62.100 0.020 0.000 1.156 477 T CB -0.361 68.520 68.868 0.022 0.000 0.863 477 T HN 0.346 nan 8.240 nan 0.000 0.430 478 E N 1.013 121.228 120.200 0.025 0.000 2.049 478 E HA -0.138 4.229 4.350 0.027 0.000 0.198 478 E C 2.301 178.931 176.600 0.050 0.000 1.007 478 E CA 1.213 57.639 56.400 0.044 0.000 0.809 478 E CB -0.488 29.241 29.700 0.048 0.000 0.749 478 E HN 0.410 nan 8.360 nan 0.000 0.450 479 L N 0.844 122.080 121.223 0.021 0.000 2.046 479 L HA -0.227 4.130 4.340 0.027 0.000 0.208 479 L C 2.750 179.662 176.870 0.071 0.000 1.077 479 L CA 0.900 55.757 54.840 0.027 0.000 0.747 479 L CB -0.405 41.635 42.059 -0.032 0.000 0.896 479 L HN 0.156 nan 8.230 nan 0.000 0.432 480 Q N -0.115 119.732 119.800 0.078 0.000 2.135 480 Q HA -0.190 4.166 4.340 0.027 0.000 0.204 480 Q C 2.391 178.479 176.000 0.146 0.000 0.981 480 Q CA 1.830 57.717 55.803 0.139 0.000 0.856 480 Q CB -0.308 28.492 28.738 0.103 0.000 0.902 480 Q HN 0.546 nan 8.270 nan 0.000 0.425 481 A N 0.775 123.663 122.820 0.114 0.000 1.883 481 A HA -0.183 4.153 4.320 0.027 0.000 0.217 481 A C 2.146 179.800 177.584 0.118 0.000 1.186 481 A CA 1.454 53.570 52.037 0.132 0.000 0.624 481 A CB -0.758 18.314 19.000 0.120 0.000 0.822 481 A HN 0.380 nan 8.150 nan 0.000 0.444 482 I N -1.881 118.744 120.570 0.092 0.000 2.286 482 I HA -0.244 3.942 4.170 0.027 0.000 0.248 482 I C 2.503 178.663 176.117 0.072 0.000 1.115 482 I CA 1.479 62.809 61.300 0.049 0.000 1.392 482 I CB -0.459 37.566 38.000 0.042 0.000 1.065 482 I HN 0.496 nan 8.210 nan 0.000 0.418 483 Y N 2.035 122.312 120.300 -0.039 0.000 2.114 483 Y HA -0.202 4.364 4.550 0.027 0.000 0.284 483 Y C 2.307 178.172 175.900 -0.059 0.000 1.143 483 Y CA 1.370 59.439 58.100 -0.052 0.000 1.135 483 Y CB -0.725 37.719 38.460 -0.025 0.000 0.980 483 Y HN 0.022 nan 8.280 nan 0.000 0.499 484 L N -0.200 120.986 121.223 -0.061 0.000 2.013 484 L HA -0.285 4.071 4.340 0.027 0.000 0.212 484 L C 2.800 179.559 176.870 -0.186 0.000 1.073 484 L CA 1.508 56.279 54.840 -0.115 0.000 0.753 484 L CB -1.239 40.887 42.059 0.112 0.000 0.890 484 L HN 0.255 nan 8.230 nan 0.000 0.432 485 A N 0.125 122.801 122.820 -0.240 0.000 1.917 485 A HA -0.210 4.126 4.320 0.027 0.000 0.219 485 A C 2.268 179.416 177.584 -0.728 0.000 1.182 485 A CA 1.758 53.411 52.037 -0.641 0.000 0.633 485 A CB -0.803 17.922 19.000 -0.459 0.000 0.819 485 A HN 0.389 nan 8.150 nan 0.000 0.448 486 L N -1.106 119.888 121.223 -0.382 0.000 2.093 486 L HA -0.223 4.134 4.340 0.027 0.000 0.208 486 L C 2.916 179.654 176.870 -0.220 0.000 1.085 486 L CA 1.379 56.053 54.840 -0.277 0.000 0.755 486 L CB -0.456 41.549 42.059 -0.091 0.000 0.904 486 L HN 0.502 nan 8.230 nan 0.000 0.435 487 Q N -0.271 119.398 119.800 -0.218 0.000 2.046 487 Q HA -0.172 4.184 4.340 0.027 0.000 0.200 487 Q C 1.198 177.120 176.000 -0.129 0.000 0.975 487 Q CA 1.340 57.032 55.803 -0.185 0.000 0.836 487 Q CB 0.039 28.596 28.738 -0.301 0.000 0.896 487 Q HN 0.490 nan 8.270 nan 0.000 0.428 488 D N 0.460 120.782 120.400 -0.129 0.000 2.340 488 D HA -0.002 4.654 4.640 0.027 0.000 0.220 488 D C 0.393 176.716 176.300 0.039 0.000 1.039 488 D CA 0.240 54.243 54.000 0.005 0.000 0.866 488 D CB 0.169 41.064 40.800 0.158 0.000 0.913 488 D HN 0.120 nan 8.370 nan 0.000 0.523 489 S N -0.656 114.942 115.700 -0.169 0.000 2.687 489 S HA 0.653 5.140 4.470 0.027 0.000 0.283 489 S C 0.783 175.351 174.600 -0.052 0.000 1.170 489 S CA -0.749 57.365 58.200 -0.144 0.000 1.008 489 S CB 2.223 65.056 63.200 -0.611 0.000 1.026 489 S HN 0.064 nan 8.310 nan 0.000 0.541 490 G N -0.029 108.777 108.800 0.010 0.000 2.504 490 G HA2 0.394 4.370 3.960 0.027 0.000 0.257 490 G HA3 0.394 4.370 3.960 0.027 0.000 0.257 490 G C 0.463 175.357 174.900 -0.010 0.000 1.451 490 G CA -0.692 44.416 45.100 0.013 0.000 1.059 490 G HN 0.531 nan 8.290 nan 0.000 0.550 491 L N -0.243 120.985 121.223 0.008 0.000 2.141 491 L HA 0.140 4.496 4.340 0.027 0.000 0.209 491 L C 1.329 178.204 176.870 0.008 0.000 1.094 491 L CA 1.173 56.018 54.840 0.008 0.000 0.763 491 L CB -0.626 41.445 42.059 0.020 0.000 0.908 491 L HN 0.460 nan 8.230 nan 0.000 0.437 492 E N -1.122 119.088 120.200 0.016 0.000 2.176 492 E HA 0.599 4.965 4.350 0.027 0.000 0.267 492 E C -1.228 175.386 176.600 0.022 0.000 0.893 492 E CA -0.395 56.020 56.400 0.025 0.000 0.761 492 E CB 2.428 32.150 29.700 0.038 0.000 1.133 492 E HN -0.208 nan 8.360 nan 0.000 0.409 493 V N 2.441 122.361 119.914 0.009 0.000 2.932 493 V HA 0.367 4.503 4.120 0.027 0.000 0.307 493 V C -0.749 175.367 176.094 0.037 0.000 1.147 493 V CA -1.198 61.095 62.300 -0.012 0.000 0.951 493 V CB 2.277 33.989 31.823 -0.185 0.000 1.031 493 V HN 0.615 nan 8.190 nan 0.000 0.426 494 N N 3.211 121.965 118.700 0.091 0.000 2.372 494 N HA 0.719 5.476 4.740 0.027 0.000 0.285 494 N C -1.247 174.300 175.510 0.061 0.000 1.008 494 N CA -0.282 52.850 53.050 0.136 0.000 0.880 494 N CB 2.528 41.117 38.487 0.170 0.000 1.239 494 N HN 0.625 nan 8.380 nan 0.000 0.484 495 I N 1.517 122.073 120.570 -0.024 0.000 2.478 495 I HA 0.256 4.443 4.170 0.027 0.000 0.287 495 I C -0.334 175.706 176.117 -0.127 0.000 1.042 495 I CA -1.107 60.149 61.300 -0.074 0.000 1.067 495 I CB 2.346 40.277 38.000 -0.116 0.000 1.233 495 I HN 0.081 nan 8.210 nan 0.000 0.431 496 V N 5.236 125.039 119.914 -0.185 0.000 2.459 496 V HA 0.764 4.900 4.120 0.027 0.000 0.295 496 V C -0.546 175.481 176.094 -0.112 0.000 1.029 496 V CA 0.313 62.486 62.300 -0.212 0.000 0.874 496 V CB 1.816 33.391 31.823 -0.414 0.000 0.985 496 V HN 0.863 nan 8.190 nan 0.000 0.438 497 T N 3.004 117.524 114.554 -0.056 0.000 2.883 497 T HA 0.483 4.849 4.350 0.027 0.000 0.296 497 T C -0.229 174.442 174.700 -0.048 0.000 1.117 497 T CA 0.167 62.269 62.100 0.003 0.000 1.006 497 T CB 1.960 70.874 68.868 0.076 0.000 1.191 497 T HN 0.927 nan 8.240 nan 0.000 0.508 498 D N 0.556 120.939 120.400 -0.029 0.000 2.431 498 D HA 0.157 4.814 4.640 0.027 0.000 0.213 498 D C 0.526 177.020 176.300 0.324 0.000 1.130 498 D CA -0.207 53.713 54.000 -0.133 0.000 0.834 498 D CB 0.037 40.730 40.800 -0.178 0.000 0.985 498 D HN 0.287 nan 8.370 nan 0.000 0.504 499 S N 0.650 116.552 115.700 0.337 0.000 2.498 499 S HA 0.005 4.492 4.470 0.027 0.000 0.281 499 S C 1.082 175.879 174.600 0.329 0.000 1.265 499 S CA -0.236 58.148 58.200 0.306 0.000 1.071 499 S CB 1.247 64.569 63.200 0.205 0.000 0.894 499 S HN 0.015 nan 8.310 nan 0.000 0.491 500 Q N 4.268 124.207 119.800 0.231 0.000 2.167 500 Q HA -0.053 4.303 4.340 0.027 0.000 0.202 500 Q C 1.274 177.236 176.000 -0.063 0.000 0.970 500 Q CA 1.728 57.513 55.803 -0.031 0.000 0.855 500 Q CB -0.387 28.353 28.738 0.002 0.000 0.911 500 Q HN 0.947 nan 8.270 nan 0.000 0.438 501 Y N -0.380 119.898 120.300 -0.036 0.000 2.242 501 Y HA -0.099 4.467 4.550 0.027 0.000 0.291 501 Y C 1.942 177.818 175.900 -0.039 0.000 1.137 501 Y CA 1.361 59.442 58.100 -0.031 0.000 1.181 501 Y CB -0.315 38.151 38.460 0.011 0.000 0.989 501 Y HN 0.179 nan 8.280 nan 0.000 0.527 502 A N -0.533 122.388 122.820 0.168 0.000 2.019 502 A HA -0.165 4.171 4.320 0.027 0.000 0.219 502 A C 2.040 179.595 177.584 -0.049 0.000 1.164 502 A CA 1.387 53.481 52.037 0.095 0.000 0.644 502 A CB -0.997 18.077 19.000 0.123 0.000 0.805 502 A HN 0.465 nan 8.150 nan 0.000 0.449 503 L N 0.072 121.195 121.223 -0.167 0.000 2.187 503 L HA -0.101 4.256 4.340 0.027 0.000 0.213 503 L C 2.447 179.142 176.870 -0.292 0.000 1.100 503 L CA 1.771 56.428 54.840 -0.305 0.000 0.765 503 L CB -0.998 40.737 42.059 -0.540 0.000 0.904 503 L HN 0.366 nan 8.230 nan 0.000 0.437 504 G N -0.700 107.912 108.800 -0.312 0.000 2.418 504 G HA2 -0.243 3.734 3.960 0.027 0.000 0.217 504 G HA3 -0.243 3.734 3.960 0.027 0.000 0.217 504 G C 1.649 176.393 174.900 -0.261 0.000 1.158 504 G CA 1.020 45.895 45.100 -0.375 0.000 0.771 504 G HN 0.441 nan 8.290 nan 0.000 0.545 505 I N 0.636 121.127 120.570 -0.132 0.000 2.226 505 I HA -0.127 4.059 4.170 0.027 0.000 0.245 505 I C 2.616 178.732 176.117 -0.001 0.000 1.100 505 I CA 0.745 62.034 61.300 -0.018 0.000 1.374 505 I CB -0.218 37.809 38.000 0.045 0.000 1.057 505 I HN 0.141 nan 8.210 nan 0.000 0.413 506 I N 0.259 120.798 120.570 -0.051 0.000 2.208 506 I HA -0.344 3.843 4.170 0.027 0.000 0.245 506 I C 2.685 178.766 176.117 -0.059 0.000 1.097 506 I CA 1.599 62.870 61.300 -0.048 0.000 1.363 506 I CB -0.430 37.517 38.000 -0.090 0.000 1.051 506 I HN 0.362 nan 8.210 nan 0.000 0.413 507 Q N 0.762 120.483 119.800 -0.133 0.000 2.062 507 Q HA -0.107 4.249 4.340 0.027 0.000 0.196 507 Q C 2.241 178.188 176.000 -0.087 0.000 0.967 507 Q CA 1.550 57.252 55.803 -0.167 0.000 0.832 507 Q CB -0.012 28.524 28.738 -0.337 0.000 0.899 507 Q HN 0.518 nan 8.270 nan 0.000 0.442 508 A N -0.143 122.634 122.820 -0.073 0.000 2.095 508 A HA 0.017 4.353 4.320 0.027 0.000 0.212 508 A C 0.339 178.055 177.584 0.220 0.000 1.162 508 A CA 0.240 52.343 52.037 0.110 0.000 0.753 508 A CB 0.067 19.079 19.000 0.021 0.000 0.840 508 A HN 0.532 nan 8.150 nan 0.000 0.468 509 Q N -0.228 119.665 119.800 0.156 0.000 2.437 509 Q HA -0.131 4.225 4.340 0.027 0.000 0.354 509 Q C -2.264 173.861 176.000 0.208 0.000 1.402 509 Q CA 0.378 56.310 55.803 0.215 0.000 1.020 509 Q CB -1.544 27.247 28.738 0.088 0.000 1.220 509 Q HN 0.590 nan 8.270 nan 0.000 0.368 510 P HA 0.009 nan 4.420 nan 0.000 0.275 510 P C -0.269 177.214 177.300 0.306 0.000 1.228 510 P CA 0.165 63.421 63.100 0.260 0.000 0.786 510 P CB 0.813 32.657 31.700 0.241 0.000 0.927 511 D N 0.306 120.850 120.400 0.240 0.000 2.501 511 D HA 0.080 4.736 4.640 0.027 0.000 0.224 511 D C 0.124 176.467 176.300 0.073 0.000 1.202 511 D CA -0.172 53.950 54.000 0.203 0.000 0.829 511 D CB 0.127 41.071 40.800 0.240 0.000 1.023 511 D HN 0.493 nan 8.370 nan 0.000 0.499 512 Q N -1.755 118.113 119.800 0.112 0.000 2.503 512 Q HA 0.533 4.890 4.340 0.027 0.000 0.268 512 Q C -1.645 174.423 176.000 0.113 0.000 0.982 512 Q CA -0.947 54.899 55.803 0.071 0.000 0.907 512 Q CB 1.459 30.233 28.738 0.061 0.000 1.467 512 Q HN -0.018 nan 8.270 nan 0.000 0.394 513 S N -0.072 115.672 115.700 0.074 0.000 2.625 513 S HA 0.280 4.767 4.470 0.027 0.000 0.271 513 S C -0.042 174.578 174.600 0.032 0.000 1.161 513 S CA 0.111 58.358 58.200 0.080 0.000 0.820 513 S CB 1.738 64.998 63.200 0.100 0.000 1.137 513 S HN 0.824 nan 8.310 nan 0.000 0.470 514 E N 0.690 120.900 120.200 0.015 0.000 2.112 514 E HA 0.126 4.493 4.350 0.027 0.000 0.190 514 E C 0.653 177.247 176.600 -0.011 0.000 0.979 514 E CA 0.599 56.998 56.400 -0.002 0.000 0.814 514 E CB -0.182 29.510 29.700 -0.013 0.000 0.762 514 E HN 0.310 nan 8.360 nan 0.000 0.460 515 S N 0.486 116.180 115.700 -0.010 0.000 2.481 515 S HA 0.025 4.511 4.470 0.027 0.000 0.276 515 S C 0.764 175.341 174.600 -0.038 0.000 1.247 515 S CA -0.451 57.734 58.200 -0.026 0.000 1.053 515 S CB 1.051 64.233 63.200 -0.030 0.000 0.925 515 S HN 0.246 nan 8.310 nan 0.000 0.491 516 E N 4.114 124.285 120.200 -0.047 0.000 2.110 516 E HA -0.099 4.268 4.350 0.027 0.000 0.193 516 E C 1.674 178.213 176.600 -0.101 0.000 0.988 516 E CA 1.263 57.625 56.400 -0.063 0.000 0.804 516 E CB -0.219 29.451 29.700 -0.051 0.000 0.745 516 E HN 0.811 nan 8.360 nan 0.000 0.458 517 L N -0.539 120.623 121.223 -0.102 0.000 1.994 517 L HA -0.198 4.158 4.340 0.027 0.000 0.208 517 L C 2.156 178.917 176.870 -0.182 0.000 1.071 517 L CA 1.253 56.001 54.840 -0.153 0.000 0.745 517 L CB -0.321 41.676 42.059 -0.104 0.000 0.892 517 L HN 0.095 nan 8.230 nan 0.000 0.431 518 V N 0.649 120.505 119.914 -0.097 0.000 2.324 518 V HA -0.352 3.784 4.120 0.027 0.000 0.250 518 V C 2.264 178.308 176.094 -0.084 0.000 1.060 518 V CA 2.143 64.414 62.300 -0.049 0.000 1.042 518 V CB -0.941 30.909 31.823 0.044 0.000 0.650 518 V HN 0.559 nan 8.190 nan 0.000 0.450 519 N N -0.186 118.460 118.700 -0.091 0.000 2.166 519 N HA -0.171 4.586 4.740 0.027 0.000 0.186 519 N C 1.899 177.304 175.510 -0.174 0.000 1.019 519 N CA 1.179 54.167 53.050 -0.103 0.000 0.856 519 N CB -0.365 38.070 38.487 -0.087 0.000 0.993 519 N HN 0.505 nan 8.380 nan 0.000 0.426 520 Q N 0.856 120.493 119.800 -0.271 0.000 2.050 520 Q HA -0.015 4.341 4.340 0.027 0.000 0.202 520 Q C 2.370 178.096 176.000 -0.456 0.000 0.980 520 Q CA 0.789 56.328 55.803 -0.441 0.000 0.840 520 Q CB -0.408 27.849 28.738 -0.802 0.000 0.898 520 Q HN 0.485 nan 8.270 nan 0.000 0.424 521 I N 0.456 120.776 120.570 -0.417 0.000 2.179 521 I HA -0.283 3.904 4.170 0.027 0.000 0.242 521 I C 2.374 178.382 176.117 -0.182 0.000 1.088 521 I CA 0.983 62.137 61.300 -0.243 0.000 1.357 521 I CB -0.417 37.493 38.000 -0.151 0.000 1.051 521 I HN 0.128 nan 8.210 nan 0.000 0.409 522 I N 0.604 121.081 120.570 -0.155 0.000 2.151 522 I HA -0.304 3.883 4.170 0.027 0.000 0.243 522 I C 2.631 178.663 176.117 -0.142 0.000 1.080 522 I CA 1.403 62.625 61.300 -0.131 0.000 1.339 522 I CB -0.474 37.502 38.000 -0.040 0.000 1.039 522 I HN 0.276 nan 8.210 nan 0.000 0.409 523 E N 0.256 120.377 120.200 -0.132 0.000 2.077 523 E HA -0.276 4.090 4.350 0.027 0.000 0.193 523 E C 2.057 178.615 176.600 -0.070 0.000 0.989 523 E CA 1.243 57.581 56.400 -0.103 0.000 0.800 523 E CB -0.340 29.302 29.700 -0.096 0.000 0.746 523 E HN 0.443 nan 8.360 nan 0.000 0.452 524 Q N 0.583 120.343 119.800 -0.067 0.000 2.079 524 Q HA -0.024 4.333 4.340 0.027 0.000 0.200 524 Q C 2.284 178.233 176.000 -0.085 0.000 0.974 524 Q CA 0.881 56.666 55.803 -0.029 0.000 0.840 524 Q CB -0.271 28.495 28.738 0.047 0.000 0.898 524 Q HN 0.249 nan 8.270 nan 0.000 0.430 525 L N -0.436 120.681 121.223 -0.178 0.000 2.046 525 L HA -0.183 4.173 4.340 0.027 0.000 0.208 525 L C 2.187 178.946 176.870 -0.184 0.000 1.077 525 L CA 1.058 55.724 54.840 -0.292 0.000 0.747 525 L CB -0.406 41.257 42.059 -0.659 0.000 0.896 525 L HN 0.289 nan 8.230 nan 0.000 0.432 526 I N -0.469 120.046 120.570 -0.092 0.000 2.286 526 I HA -0.292 3.895 4.170 0.027 0.000 0.248 526 I C 2.411 178.582 176.117 0.091 0.000 1.115 526 I CA 1.321 62.686 61.300 0.108 0.000 1.392 526 I CB -0.315 37.778 38.000 0.156 0.000 1.065 526 I HN 0.196 nan 8.210 nan 0.000 0.418 527 K N 0.678 121.098 120.400 0.034 0.000 2.283 527 K HA -0.058 4.279 4.320 0.027 0.000 0.202 527 K C 0.528 177.145 176.600 0.028 0.000 1.048 527 K CA 0.612 56.920 56.287 0.035 0.000 0.948 527 K CB 0.055 32.565 32.500 0.017 0.000 0.742 527 K HN 0.158 nan 8.250 nan 0.000 0.458 528 K N 1.136 121.541 120.400 0.009 0.000 2.295 528 K HA -0.017 4.319 4.320 0.027 0.000 0.270 528 K C 0.878 177.500 176.600 0.036 0.000 1.011 528 K CA 0.287 56.576 56.287 0.005 0.000 0.953 528 K CB 1.254 33.737 32.500 -0.028 0.000 0.956 528 K HN 0.120 nan 8.250 nan 0.000 0.477 529 E N 1.732 121.952 120.200 0.033 0.000 2.051 529 E HA -0.067 4.300 4.350 0.027 0.000 0.189 529 E C -0.440 176.192 176.600 0.054 0.000 0.979 529 E CA 1.159 57.586 56.400 0.045 0.000 0.803 529 E CB 0.451 30.173 29.700 0.037 0.000 0.761 529 E HN 0.310 nan 8.360 nan 0.000 0.451 530 K N 0.334 120.762 120.400 0.046 0.000 2.553 530 K HA 0.363 4.700 4.320 0.027 0.000 0.250 530 K C -1.794 174.839 176.600 0.055 0.000 0.953 530 K CA -0.529 55.794 56.287 0.061 0.000 0.800 530 K CB 2.795 35.329 32.500 0.057 0.000 1.243 530 K HN -0.118 nan 8.250 nan 0.000 0.435 531 V N 3.095 123.052 119.914 0.070 0.000 2.604 531 V HA 0.377 4.514 4.120 0.027 0.000 0.305 531 V C -1.392 174.776 176.094 0.122 0.000 1.043 531 V CA -0.910 61.421 62.300 0.052 0.000 0.888 531 V CB 1.597 33.412 31.823 -0.013 0.000 0.995 531 V HN 0.690 nan 8.190 nan 0.000 0.429 532 Y N 5.511 125.806 120.300 -0.008 0.000 2.326 532 Y HA 0.736 5.302 4.550 0.026 0.000 0.331 532 Y C -1.156 174.738 175.900 -0.009 0.000 0.962 532 Y CA -1.071 57.030 58.100 0.002 0.000 1.167 532 Y CB 1.627 40.089 38.460 0.003 0.000 1.148 532 Y HN 0.584 nan 8.280 nan 0.000 0.463 533 L N 6.169 127.014 121.223 -0.630 0.000 2.296 533 L HA 0.913 5.269 4.340 0.027 0.000 0.286 533 L C -0.964 175.502 176.870 -0.672 0.000 1.023 533 L CA -0.466 54.087 54.840 -0.479 0.000 0.812 533 L CB 1.045 42.968 42.059 -0.227 0.000 1.223 533 L HN 0.751 nan 8.230 nan 0.000 0.421 534 A N 4.279 126.850 122.820 -0.415 0.000 2.401 534 A HA 0.694 5.030 4.320 0.027 0.000 0.310 534 A C -2.025 175.558 177.584 -0.002 0.000 1.075 534 A CA -0.546 51.363 52.037 -0.214 0.000 0.746 534 A CB 0.889 19.833 19.000 -0.094 0.000 1.277 534 A HN 0.786 nan 8.150 nan 0.000 0.425 535 W N 2.308 123.547 121.300 -0.103 0.000 2.666 535 W HA 0.609 5.285 4.660 0.027 0.000 0.334 535 W C -0.976 175.526 176.519 -0.027 0.000 1.051 535 W CA -0.495 56.812 57.345 -0.062 0.000 1.224 535 W CB 1.886 31.309 29.460 -0.060 0.000 1.405 535 W HN 0.894 nan 8.180 nan 0.000 0.513 536 V N 3.481 122.758 119.914 -1.061 0.000 2.876 536 V HA 0.690 4.826 4.120 0.027 0.000 0.312 536 V C -2.742 172.479 176.094 -1.456 0.000 1.085 536 V CA -3.118 58.588 62.300 -0.991 0.000 0.945 536 V CB 1.534 33.103 31.823 -0.423 0.000 1.017 536 V HN 0.494 nan 8.190 nan 0.000 0.428 537 P HA 0.345 nan 4.420 nan 0.000 0.267 537 P C -0.150 176.955 177.300 -0.326 0.000 1.200 537 P CA 0.522 63.250 63.100 -0.621 0.000 0.772 537 P CB 0.570 32.112 31.700 -0.264 0.000 0.855 538 A N 2.570 125.305 122.820 -0.142 0.000 2.287 538 A HA 0.299 4.636 4.320 0.027 0.000 0.273 538 A C 0.391 177.948 177.584 -0.046 0.000 1.091 538 A CA -0.217 51.731 52.037 -0.148 0.000 0.817 538 A CB -0.463 18.456 19.000 -0.136 0.000 1.069 538 A HN 0.812 nan 8.150 nan 0.000 0.492 539 H N -1.599 117.462 119.070 -0.016 0.000 2.822 539 H HA -0.149 4.424 4.556 0.027 0.000 0.295 539 H C 0.294 175.612 175.328 -0.017 0.000 1.151 539 H CA 1.603 57.646 56.048 -0.009 0.000 1.151 539 H CB -1.269 28.496 29.762 0.004 0.000 1.343 539 H HN 0.621 nan 8.280 nan 0.000 0.382 540 K N -0.493 119.922 120.400 0.026 0.000 2.415 540 K HA 0.515 4.852 4.320 0.027 0.000 0.275 540 K C 1.841 178.436 176.600 -0.007 0.000 1.019 540 K CA 0.321 56.613 56.287 0.008 0.000 1.173 540 K CB 0.008 32.495 32.500 -0.023 0.000 1.602 540 K HN 0.074 nan 8.250 nan 0.000 0.717 541 G N -0.059 108.732 108.800 -0.016 0.000 2.430 541 G HA2 0.043 4.020 3.960 0.027 0.000 0.216 541 G HA3 0.043 4.020 3.960 0.027 0.000 0.216 541 G C 0.400 175.283 174.900 -0.029 0.000 1.146 541 G CA 0.641 45.730 45.100 -0.019 0.000 0.793 541 G HN 0.301 nan 8.290 nan 0.000 0.537 542 I N 0.000 120.552 120.570 -0.030 0.000 2.984 542 I HA 0.000 4.186 4.170 0.027 0.000 0.288 542 I CA 0.000 61.292 61.300 -0.013 0.000 1.566 542 I CB 0.000 37.995 38.000 -0.009 0.000 1.214 542 I HN 0.000 nan 8.210 nan 0.000 0.494