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 1hmv_1_E DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIXXXXXXX XXXXVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPXXXXXXX GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSA 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 0.000 177.355 177.300 0.092 0.000 1.155 1 P CA 0.000 63.144 63.100 0.073 0.000 0.800 1 P CB 0.000 31.743 31.700 0.072 0.000 0.726 2 I N 1.032 121.652 120.570 0.083 0.000 2.436 2 I HA 0.100 4.270 4.170 -0.000 0.000 0.289 2 I C 1.225 177.403 176.117 0.102 0.000 1.083 2 I CA -0.072 61.285 61.300 0.094 0.000 1.372 2 I CB 1.072 39.116 38.000 0.074 0.000 1.408 2 I HN 0.375 nan 8.210 nan 0.000 0.516 3 S N 8.949 124.735 115.700 0.143 0.000 2.558 3 S HA 0.083 4.553 4.470 -0.000 0.000 0.291 3 S C -1.026 173.678 174.600 0.175 0.000 1.306 3 S CA -0.864 57.453 58.200 0.195 0.000 1.056 3 S CB 0.587 63.940 63.200 0.254 0.000 0.836 3 S HN 0.560 nan 8.310 nan 0.000 0.504 4 P HA 0.167 nan 4.420 nan 0.000 0.257 4 P C 0.609 178.061 177.300 0.253 0.000 1.281 4 P CA -0.075 63.109 63.100 0.141 0.000 0.826 4 P CB -0.058 31.636 31.700 -0.009 0.000 1.237 5 I N 0.947 121.723 120.570 0.343 0.000 2.836 5 I HA -0.000 4.170 4.170 -0.000 0.000 0.285 5 I C 0.033 176.249 176.117 0.165 0.000 1.174 5 I CA -0.277 61.195 61.300 0.288 0.000 1.405 5 I CB 0.763 38.864 38.000 0.168 0.000 1.385 5 I HN -0.177 nan 8.210 nan 0.000 0.594 6 E N 3.870 124.149 120.200 0.131 0.000 2.392 6 E HA 0.142 4.492 4.350 -0.000 0.000 0.264 6 E C -0.300 176.347 176.600 0.077 0.000 1.024 6 E CA -0.152 56.304 56.400 0.093 0.000 0.903 6 E CB 0.376 30.123 29.700 0.079 0.000 0.963 6 E HN 0.564 nan 8.360 nan 0.000 0.432 7 T N -1.357 113.240 114.554 0.072 0.000 2.869 7 T HA 0.322 4.672 4.350 -0.000 0.000 0.295 7 T C 0.183 174.924 174.700 0.067 0.000 0.987 7 T CA -0.998 61.144 62.100 0.070 0.000 1.109 7 T CB 0.711 69.621 68.868 0.070 0.000 0.932 7 T HN 0.150 nan 8.240 nan 0.000 0.518 8 V N 6.606 126.564 119.914 0.072 0.000 2.439 8 V HA 0.245 4.365 4.120 -0.000 0.000 0.271 8 V C -1.524 174.631 176.094 0.101 0.000 1.040 8 V CA -1.639 60.712 62.300 0.084 0.000 1.002 8 V CB 0.524 32.405 31.823 0.097 0.000 1.000 8 V HN 0.844 nan 8.190 nan 0.000 0.477 9 P HA 0.104 nan 4.420 nan 0.000 0.268 9 P C -0.472 176.855 177.300 0.046 0.000 1.282 9 P CA 0.191 63.330 63.100 0.066 0.000 0.880 9 P CB 0.709 32.439 31.700 0.049 0.000 0.971 10 V N 5.381 125.311 119.914 0.028 0.000 2.567 10 V HA 0.302 4.422 4.120 -0.000 0.000 0.289 10 V C 0.799 176.861 176.094 -0.053 0.000 1.049 10 V CA -0.183 62.060 62.300 -0.094 0.000 0.969 10 V CB 1.484 33.160 31.823 -0.245 0.000 0.995 10 V HN 0.474 nan 8.190 nan 0.000 0.471 11 K N 3.269 123.611 120.400 -0.097 0.000 2.378 11 K HA 0.709 5.029 4.320 -0.000 0.000 0.244 11 K C -1.246 175.371 176.600 0.029 0.000 1.039 11 K CA -0.903 55.396 56.287 0.019 0.000 0.863 11 K CB 2.151 34.630 32.500 -0.036 0.000 1.326 11 K HN 0.375 nan 8.250 nan 0.000 0.460 12 L N 1.345 122.565 121.223 -0.004 0.000 2.387 12 L HA 0.385 4.725 4.340 -0.000 0.000 0.266 12 L C 0.058 176.897 176.870 -0.052 0.000 1.059 12 L CA -0.934 53.873 54.840 -0.054 0.000 0.801 12 L CB 0.908 42.831 42.059 -0.226 0.000 1.223 12 L HN 0.392 nan 8.230 nan 0.000 0.456 13 K N 2.610 122.985 120.400 -0.040 0.000 2.451 13 K HA 0.111 4.431 4.320 -0.000 0.000 0.280 13 K C -2.199 174.386 176.600 -0.025 0.000 1.020 13 K CA -1.307 54.960 56.287 -0.033 0.000 1.008 13 K CB -0.003 32.488 32.500 -0.016 0.000 0.917 13 K HN 0.324 nan 8.250 nan 0.000 0.478 14 P HA -0.118 nan 4.420 nan 0.000 0.264 14 P C 0.487 177.785 177.300 -0.003 0.000 1.183 14 P CA 0.648 63.741 63.100 -0.012 0.000 0.763 14 P CB 0.699 32.391 31.700 -0.012 0.000 0.807 15 G N 1.840 110.642 108.800 0.004 0.000 2.157 15 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.239 15 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.239 15 G C -0.003 174.907 174.900 0.016 0.000 0.982 15 G CA 0.054 45.161 45.100 0.012 0.000 0.650 15 G HN 0.528 nan 8.290 nan 0.000 0.527 16 M N -0.393 119.213 119.600 0.011 0.000 2.658 16 M HA 0.651 5.131 4.480 -0.000 0.000 0.295 16 M C -1.072 175.237 176.300 0.015 0.000 1.248 16 M CA -0.850 54.459 55.300 0.016 0.000 0.843 16 M CB 2.200 34.805 32.600 0.007 0.000 1.749 16 M HN 0.085 nan 8.290 nan 0.000 0.464 17 D N -0.164 120.265 120.400 0.050 0.000 2.490 17 D HA 0.590 5.230 4.640 -0.000 0.000 0.232 17 D C -0.198 176.167 176.300 0.109 0.000 1.053 17 D CA -0.011 54.056 54.000 0.112 0.000 0.914 17 D CB 1.908 42.838 40.800 0.218 0.000 1.431 17 D HN 0.709 nan 8.370 nan 0.000 0.483 18 G N 1.195 110.051 108.800 0.093 0.000 2.720 18 G HA2 0.224 4.184 3.960 -0.000 0.000 0.237 18 G HA3 0.224 4.184 3.960 -0.000 0.000 0.237 18 G C -2.079 173.003 174.900 0.304 0.000 1.239 18 G CA -0.680 44.392 45.100 -0.047 0.000 0.847 18 G HN 0.477 nan 8.290 nan 0.000 0.593 19 P HA 0.256 nan 4.420 nan 0.000 0.272 19 P C -1.032 176.441 177.300 0.289 0.000 1.230 19 P CA -0.044 63.189 63.100 0.223 0.000 0.788 19 P CB 0.993 32.795 31.700 0.170 0.000 0.949 20 K N 0.835 121.326 120.400 0.153 0.000 2.690 20 K HA 0.477 4.797 4.320 -0.000 0.000 0.264 20 K C -1.398 175.217 176.600 0.025 0.000 1.040 20 K CA -0.578 55.753 56.287 0.074 0.000 0.946 20 K CB 1.915 34.430 32.500 0.025 0.000 1.268 20 K HN 0.179 nan 8.250 nan 0.000 0.473 21 V N 2.175 122.079 119.914 -0.017 0.000 2.971 21 V HA 0.379 4.499 4.120 -0.000 0.000 0.309 21 V C -0.642 175.341 176.094 -0.185 0.000 1.130 21 V CA -1.132 61.121 62.300 -0.078 0.000 0.964 21 V CB 2.436 34.222 31.823 -0.062 0.000 1.029 21 V HN 0.565 nan 8.190 nan 0.000 0.427 22 K N 2.103 122.317 120.400 -0.310 0.000 2.144 22 K HA 0.493 4.813 4.320 -0.000 0.000 0.270 22 K C -0.543 175.624 176.600 -0.722 0.000 1.005 22 K CA -0.526 55.493 56.287 -0.447 0.000 0.932 22 K CB 1.068 33.298 32.500 -0.451 0.000 1.021 22 K HN 0.605 nan 8.250 nan 0.000 0.462 23 Q N 2.015 121.504 119.800 -0.519 0.000 2.331 23 Q HA 0.122 4.462 4.340 -0.000 0.000 0.257 23 Q C -0.988 174.793 176.000 -0.365 0.000 0.957 23 Q CA -0.405 55.109 55.803 -0.482 0.000 0.923 23 Q CB 0.763 29.359 28.738 -0.236 0.000 1.212 23 Q HN 0.426 nan 8.270 nan 0.000 0.443 24 W N 5.569 126.933 121.300 0.107 0.000 2.381 24 W HA 0.103 4.763 4.660 -0.000 0.000 0.321 24 W C -1.534 175.046 176.519 0.102 0.000 1.407 24 W CA -1.646 55.768 57.345 0.115 0.000 1.274 24 W CB 0.017 29.576 29.460 0.165 0.000 1.310 24 W HN 0.359 nan 8.180 nan 0.000 0.551 25 P HA -0.032 nan 4.420 nan 0.000 0.260 25 P C -0.320 177.086 177.300 0.177 0.000 1.185 25 P CA 0.506 63.706 63.100 0.167 0.000 0.763 25 P CB 0.862 32.640 31.700 0.130 0.000 0.776 26 L N 2.798 124.112 121.223 0.150 0.000 2.454 26 L HA 0.298 4.638 4.340 -0.000 0.000 0.256 26 L C 1.596 178.526 176.870 0.100 0.000 1.136 26 L CA -0.713 54.213 54.840 0.142 0.000 0.804 26 L CB 0.267 42.414 42.059 0.147 0.000 1.181 26 L HN 0.406 nan 8.230 nan 0.000 0.469 27 T N -3.050 111.556 114.554 0.086 0.000 2.926 27 T HA 0.041 4.391 4.350 -0.000 0.000 0.307 27 T C 0.914 175.649 174.700 0.057 0.000 1.059 27 T CA -0.504 61.634 62.100 0.064 0.000 1.122 27 T CB 0.733 69.633 68.868 0.053 0.000 0.972 27 T HN 0.643 nan 8.240 nan 0.000 0.545 28 E N 0.912 121.140 120.200 0.047 0.000 2.108 28 E HA -0.290 4.060 4.350 -0.000 0.000 0.203 28 E C 1.963 178.588 176.600 0.042 0.000 1.022 28 E CA 1.887 58.312 56.400 0.041 0.000 0.823 28 E CB -0.116 29.603 29.700 0.033 0.000 0.744 28 E HN 0.934 nan 8.360 nan 0.000 0.456 29 E N 1.321 121.545 120.200 0.040 0.000 2.005 29 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 29 E C 1.975 178.603 176.600 0.047 0.000 1.010 29 E CA 1.506 57.930 56.400 0.039 0.000 0.825 29 E CB 0.070 29.792 29.700 0.036 0.000 0.769 29 E HN 0.087 nan 8.360 nan 0.000 0.456 30 K N 0.165 120.598 120.400 0.055 0.000 2.052 30 K HA -0.231 4.089 4.320 -0.000 0.000 0.215 30 K C 2.296 178.937 176.600 0.069 0.000 1.053 30 K CA 2.104 58.431 56.287 0.067 0.000 0.934 30 K CB -0.448 32.103 32.500 0.085 0.000 0.717 30 K HN 0.294 nan 8.250 nan 0.000 0.450 31 I N 1.328 121.939 120.570 0.069 0.000 2.127 31 I HA -0.327 3.843 4.170 -0.000 0.000 0.241 31 I C 2.179 178.333 176.117 0.062 0.000 1.075 31 I CA 1.537 62.877 61.300 0.068 0.000 1.334 31 I CB -0.311 37.725 38.000 0.061 0.000 1.040 31 I HN 0.168 nan 8.210 nan 0.000 0.405 32 K N 0.806 121.237 120.400 0.052 0.000 2.218 32 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 32 K C 2.116 178.745 176.600 0.049 0.000 1.046 32 K CA 1.456 57.771 56.287 0.046 0.000 0.933 32 K CB -0.256 32.267 32.500 0.038 0.000 0.728 32 K HN 0.391 nan 8.250 nan 0.000 0.454 33 A N 1.279 124.129 122.820 0.050 0.000 1.861 33 A HA -0.021 4.299 4.320 -0.000 0.000 0.212 33 A C 2.098 179.713 177.584 0.052 0.000 1.199 33 A CA 0.700 52.765 52.037 0.047 0.000 0.613 33 A CB -0.486 18.541 19.000 0.045 0.000 0.846 33 A HN 0.104 nan 8.150 nan 0.000 0.446 34 L N -0.018 121.242 121.223 0.062 0.000 2.042 34 L HA -0.202 4.138 4.340 -0.000 0.000 0.210 34 L C 2.537 179.459 176.870 0.086 0.000 1.076 34 L CA 1.341 56.222 54.840 0.069 0.000 0.749 34 L CB -0.892 41.217 42.059 0.084 0.000 0.893 34 L HN 0.256 nan 8.230 nan 0.000 0.432 35 V N -0.006 119.967 119.914 0.098 0.000 2.220 35 V HA -0.341 3.779 4.120 -0.000 0.000 0.246 35 V C 2.483 178.628 176.094 0.084 0.000 1.049 35 V CA 2.166 64.537 62.300 0.118 0.000 1.003 35 V CB -0.736 31.145 31.823 0.096 0.000 0.634 35 V HN 0.539 nan 8.190 nan 0.000 0.444 36 E N 0.028 120.265 120.200 0.061 0.000 2.172 36 E HA -0.301 4.049 4.350 -0.000 0.000 0.213 36 E C 2.063 178.685 176.600 0.036 0.000 1.051 36 E CA 2.593 59.020 56.400 0.045 0.000 0.860 36 E CB -0.226 29.497 29.700 0.038 0.000 0.755 36 E HN 0.655 nan 8.360 nan 0.000 0.462 37 I N 0.163 120.752 120.570 0.032 0.000 2.162 37 I HA -0.290 3.880 4.170 -0.000 0.000 0.238 37 I C 2.762 178.871 176.117 -0.014 0.000 1.076 37 I CA 0.872 62.182 61.300 0.017 0.000 1.353 37 I CB -0.535 37.476 38.000 0.019 0.000 1.063 37 I HN 0.318 nan 8.210 nan 0.000 0.408 38 C N 0.840 120.114 119.300 -0.043 0.000 2.403 38 C HA -0.186 4.274 4.460 -0.000 0.000 0.279 38 C C 3.032 177.874 174.990 -0.246 0.000 1.269 38 C CA 1.644 60.532 59.018 -0.217 0.000 1.774 38 C CB -1.355 26.230 27.740 -0.258 0.000 1.993 38 C HN 0.554 nan 8.230 nan 0.000 0.496 39 T N -0.078 114.450 114.554 -0.043 0.000 2.788 39 T HA -0.214 4.136 4.350 -0.000 0.000 0.268 39 T C 1.724 176.424 174.700 0.001 0.000 1.044 39 T CA 1.752 63.867 62.100 0.026 0.000 1.139 39 T CB -0.251 68.658 68.868 0.068 0.000 0.867 39 T HN 0.731 nan 8.240 nan 0.000 0.454 40 E N 0.338 120.538 120.200 -0.001 0.000 2.170 40 E HA 0.042 4.392 4.350 -0.000 0.000 0.191 40 E C 2.152 178.761 176.600 0.015 0.000 0.981 40 E CA 0.312 56.721 56.400 0.016 0.000 0.830 40 E CB -0.080 29.637 29.700 0.029 0.000 0.775 40 E HN 0.448 nan 8.360 nan 0.000 0.470 41 M N 0.580 120.177 119.600 -0.005 0.000 2.213 41 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 41 M C 2.267 178.540 176.300 -0.044 0.000 1.062 41 M CA 1.381 56.690 55.300 0.015 0.000 1.105 41 M CB -0.229 32.370 32.600 -0.002 0.000 1.385 41 M HN 0.149 nan 8.290 nan 0.000 0.417 42 E N 0.945 121.088 120.200 -0.094 0.000 2.150 42 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 42 E C 2.006 178.610 176.600 0.007 0.000 0.985 42 E CA 1.154 57.526 56.400 -0.048 0.000 0.814 42 E CB 0.102 29.804 29.700 0.002 0.000 0.752 42 E HN 0.415 nan 8.360 nan 0.000 0.466 43 K N 0.580 120.988 120.400 0.014 0.000 2.031 43 K HA -0.141 4.179 4.320 -0.000 0.000 0.205 43 K C 1.788 178.406 176.600 0.031 0.000 1.049 43 K CA 1.475 57.778 56.287 0.026 0.000 0.939 43 K CB 0.054 32.572 32.500 0.029 0.000 0.717 43 K HN 0.103 nan 8.250 nan 0.000 0.438 44 E N -0.935 119.289 120.200 0.040 0.000 2.338 44 E HA -0.067 4.283 4.350 -0.000 0.000 0.197 44 E C 0.936 177.564 176.600 0.047 0.000 1.007 44 E CA 0.650 57.084 56.400 0.057 0.000 0.849 44 E CB 0.096 29.854 29.700 0.097 0.000 0.774 44 E HN 0.676 nan 8.360 nan 0.000 0.506 45 G N 1.122 109.938 108.800 0.026 0.000 2.194 45 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 45 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 45 G C 1.032 175.927 174.900 -0.008 0.000 0.987 45 G CA 0.422 45.531 45.100 0.015 0.000 0.635 45 G HN 0.037 nan 8.290 nan 0.000 0.520 46 K N 0.324 120.706 120.400 -0.030 0.000 2.103 46 K HA 0.074 4.394 4.320 -0.000 0.000 0.207 46 K C 1.841 178.371 176.600 -0.116 0.000 1.048 46 K CA 1.883 58.088 56.287 -0.137 0.000 0.930 46 K CB -0.362 31.979 32.500 -0.264 0.000 0.716 46 K HN 0.933 nan 8.250 nan 0.000 0.444 47 I N -3.582 116.922 120.570 -0.110 0.000 3.580 47 I HA 0.481 4.651 4.170 -0.000 0.000 0.296 47 I C -0.930 175.173 176.117 -0.023 0.000 1.146 47 I CA -1.128 60.107 61.300 -0.108 0.000 1.051 47 I CB 2.290 40.140 38.000 -0.250 0.000 1.364 47 I HN -0.037 nan 8.210 nan 0.000 0.482 48 S N -0.507 115.229 115.700 0.060 0.000 2.578 48 S HA 0.384 4.854 4.470 -0.000 0.000 0.285 48 S C -1.287 173.430 174.600 0.195 0.000 1.126 48 S CA -1.198 57.090 58.200 0.146 0.000 0.878 48 S CB 1.071 64.300 63.200 0.048 0.000 1.091 48 S HN 0.695 nan 8.310 nan 0.000 0.450 49 K N 1.451 121.919 120.400 0.113 0.000 2.414 49 K HA 0.571 4.891 4.320 -0.000 0.000 0.272 49 K C 0.017 176.514 176.600 -0.172 0.000 0.993 49 K CA 0.050 56.205 56.287 -0.220 0.000 0.964 49 K CB 0.189 32.528 32.500 -0.267 0.000 0.925 49 K HN 0.716 nan 8.250 nan 0.000 0.487 50 I N -2.756 117.669 120.570 -0.241 0.000 3.006 50 I HA 0.450 4.620 4.170 -0.000 0.000 0.306 50 I C -0.030 175.978 176.117 -0.182 0.000 1.250 50 I CA -1.322 59.874 61.300 -0.174 0.000 0.996 50 I CB 1.875 39.780 38.000 -0.158 0.000 1.261 50 I HN 0.560 nan 8.210 nan 0.000 0.442 51 G N 2.410 111.129 108.800 -0.136 0.000 2.544 51 G HA2 0.392 4.352 3.960 -0.000 0.000 0.242 51 G HA3 0.392 4.352 3.960 -0.000 0.000 0.242 51 G C -1.547 173.276 174.900 -0.128 0.000 1.247 51 G CA -1.155 43.870 45.100 -0.125 0.000 0.840 51 G HN 0.684 nan 8.290 nan 0.000 0.578 52 P HA -0.010 nan 4.420 nan 0.000 0.251 52 P C 0.348 177.585 177.300 -0.105 0.000 1.251 52 P CA 0.563 63.594 63.100 -0.116 0.000 0.763 52 P CB 0.518 32.155 31.700 -0.105 0.000 1.067 53 E N 0.423 120.563 120.200 -0.101 0.000 2.021 53 E HA -0.065 4.285 4.350 -0.000 0.000 0.189 53 E C 1.196 177.727 176.600 -0.115 0.000 0.980 53 E CA 0.298 56.640 56.400 -0.098 0.000 0.803 53 E CB -1.207 28.442 29.700 -0.086 0.000 0.766 53 E HN 0.167 nan 8.360 nan 0.000 0.449 54 N N 2.445 121.081 118.700 -0.106 0.000 2.090 54 N HA -0.112 4.628 4.740 -0.000 0.000 0.287 54 N C -1.868 173.557 175.510 -0.142 0.000 1.383 54 N CA -0.313 52.680 53.050 -0.095 0.000 0.899 54 N CB 0.491 38.943 38.487 -0.059 0.000 1.251 54 N HN -0.081 nan 8.380 nan 0.000 0.492 55 P HA -0.129 nan 4.420 nan 0.000 0.217 55 P C -0.378 176.708 177.300 -0.358 0.000 1.148 55 P CA 1.309 64.168 63.100 -0.400 0.000 0.828 55 P CB 0.021 31.309 31.700 -0.687 0.000 0.783 56 Y N -0.552 119.708 120.300 -0.068 0.000 2.304 56 Y HA 0.399 4.949 4.550 -0.000 0.000 0.327 56 Y C 0.942 176.818 175.900 -0.040 0.000 1.209 56 Y CA -0.201 57.876 58.100 -0.038 0.000 1.299 56 Y CB 0.164 38.606 38.460 -0.029 0.000 1.249 56 Y HN -0.155 nan 8.280 nan 0.000 0.519 57 N N -0.553 118.238 118.700 0.152 0.000 2.504 57 N HA 0.530 5.270 4.740 -0.000 0.000 0.268 57 N C -1.993 173.553 175.510 0.060 0.000 1.184 57 N CA -0.551 52.542 53.050 0.072 0.000 0.875 57 N CB 1.651 40.131 38.487 -0.013 0.000 1.630 57 N HN 0.569 nan 8.380 nan 0.000 0.486 58 T N 1.968 116.551 114.554 0.049 0.000 2.886 58 T HA 0.536 4.886 4.350 -0.000 0.000 0.292 58 T C -2.924 171.694 174.700 -0.136 0.000 1.012 58 T CA -1.102 60.988 62.100 -0.017 0.000 0.982 58 T CB 2.084 70.981 68.868 0.048 0.000 1.018 58 T HN 0.396 nan 8.240 nan 0.000 0.451 59 P HA 0.220 nan 4.420 nan 0.000 0.267 59 P C -0.298 176.585 177.300 -0.696 0.000 1.205 59 P CA -0.269 62.538 63.100 -0.489 0.000 0.765 59 P CB 0.759 32.118 31.700 -0.569 0.000 0.828 60 V N 1.595 121.152 119.914 -0.595 0.000 2.850 60 V HA 0.739 4.859 4.120 -0.000 0.000 0.315 60 V C -0.695 175.045 176.094 -0.591 0.000 1.064 60 V CA -0.655 61.336 62.300 -0.516 0.000 0.979 60 V CB 1.235 32.926 31.823 -0.221 0.000 1.039 60 V HN 0.288 nan 8.190 nan 0.000 0.452 61 F N 0.379 120.324 119.950 -0.008 0.000 2.675 61 F HA 0.917 5.444 4.527 -0.000 0.000 0.324 61 F C 0.242 176.054 175.800 0.019 0.000 1.106 61 F CA -0.606 57.412 58.000 0.030 0.000 0.970 61 F CB 1.924 40.948 39.000 0.039 0.000 1.385 61 F HN 0.885 nan 8.300 nan 0.000 0.489 62 A N 1.873 124.843 122.820 0.250 0.000 2.335 62 A HA 0.837 5.157 4.320 -0.000 0.000 0.304 62 A C -0.762 176.888 177.584 0.109 0.000 1.118 62 A CA -0.498 51.621 52.037 0.137 0.000 0.757 62 A CB 0.521 19.584 19.000 0.105 0.000 1.188 62 A HN 0.738 nan 8.150 nan 0.000 0.460 76 D N 3.958 124.180 120.400 -0.296 0.000 2.541 76 D HA 0.223 4.863 4.640 -0.000 0.000 0.231 76 D C 0.733 177.021 176.300 -0.020 0.000 1.163 76 D CA -0.107 53.872 54.000 -0.036 0.000 1.077 76 D CB 0.034 40.930 40.800 0.159 0.000 1.110 76 D HN 0.366 nan 8.370 nan 0.000 0.499 77 F N 1.471 121.489 119.950 0.113 0.000 2.773 77 F HA 0.034 4.561 4.527 -0.000 0.000 0.299 77 F C 2.018 177.905 175.800 0.146 0.000 1.204 77 F CA 0.219 58.304 58.000 0.141 0.000 1.454 77 F CB -0.232 38.882 39.000 0.191 0.000 1.117 77 F HN 0.254 nan 8.300 nan 0.000 0.590 78 R N 0.155 120.815 120.500 0.267 0.000 2.133 78 R HA -0.221 4.119 4.340 -0.000 0.000 0.245 78 R C 2.083 178.500 176.300 0.196 0.000 1.137 78 R CA 1.830 58.053 56.100 0.205 0.000 0.947 78 R CB -0.440 29.956 30.300 0.160 0.000 0.865 78 R HN 0.233 nan 8.270 nan 0.000 0.437 79 E N 0.782 121.096 120.200 0.191 0.000 2.017 79 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 79 E C 2.053 178.764 176.600 0.185 0.000 0.997 79 E CA 0.875 57.374 56.400 0.165 0.000 0.804 79 E CB -0.583 29.203 29.700 0.143 0.000 0.757 79 E HN 0.138 nan 8.360 nan 0.000 0.448 80 L N 2.411 123.780 121.223 0.243 0.000 2.064 80 L HA -0.252 4.088 4.340 -0.000 0.000 0.216 80 L C 1.546 178.582 176.870 0.277 0.000 1.077 80 L CA 1.899 56.882 54.840 0.238 0.000 0.766 80 L CB -0.772 41.473 42.059 0.310 0.000 0.890 80 L HN 0.053 nan 8.230 nan 0.000 0.435 81 N N -0.071 118.812 118.700 0.304 0.000 2.188 81 N HA -0.215 4.525 4.740 -0.000 0.000 0.184 81 N C 1.812 177.420 175.510 0.164 0.000 1.018 81 N CA 1.414 54.617 53.050 0.254 0.000 0.858 81 N CB -0.368 38.235 38.487 0.193 0.000 0.989 81 N HN 0.512 nan 8.380 nan 0.000 0.426 82 K N 1.229 121.713 120.400 0.140 0.000 2.360 82 K HA -0.023 4.297 4.320 -0.000 0.000 0.201 82 K C 0.874 177.521 176.600 0.078 0.000 1.046 82 K CA 0.862 57.207 56.287 0.096 0.000 0.945 82 K CB 0.186 32.742 32.500 0.093 0.000 0.750 82 K HN 0.131 nan 8.250 nan 0.000 0.464 83 R N -0.409 120.145 120.500 0.089 0.000 2.508 83 R HA 0.125 4.465 4.340 -0.000 0.000 0.300 83 R C -0.317 176.016 176.300 0.054 0.000 0.970 83 R CA -0.137 55.992 56.100 0.047 0.000 1.102 83 R CB 1.177 31.486 30.300 0.016 0.000 1.246 83 R HN -0.077 nan 8.270 nan 0.000 0.539 84 T N 1.918 116.550 114.554 0.130 0.000 2.856 84 T HA 0.013 4.363 4.350 -0.000 0.000 0.292 84 T C -0.053 174.647 174.700 -0.000 0.000 0.980 84 T CA -0.370 61.834 62.100 0.174 0.000 1.091 84 T CB 1.464 70.579 68.868 0.413 0.000 0.936 84 T HN 0.174 nan 8.240 nan 0.000 0.503 85 Q N 3.798 123.527 119.800 -0.118 0.000 2.436 85 Q HA -0.090 4.250 4.340 -0.000 0.000 0.292 85 Q C -0.371 175.378 176.000 -0.418 0.000 1.229 85 Q CA -0.435 55.199 55.803 -0.282 0.000 1.008 85 Q CB -0.200 28.285 28.738 -0.422 0.000 1.220 85 Q HN 0.620 nan 8.270 nan 0.000 0.432 86 D N 3.674 123.958 120.400 -0.194 0.000 2.472 86 D HA -0.043 4.597 4.640 -0.000 0.000 0.248 86 D C -0.693 175.521 176.300 -0.143 0.000 1.174 86 D CA 0.227 54.158 54.000 -0.115 0.000 0.883 86 D CB 0.086 40.882 40.800 -0.007 0.000 1.149 86 D HN 0.269 nan 8.370 nan 0.000 0.488 87 F N 0.652 120.568 119.950 -0.057 0.000 2.373 87 F HA 0.287 4.814 4.527 -0.000 0.000 0.302 87 F C 0.861 176.708 175.800 0.078 0.000 1.247 87 F CA -0.759 57.230 58.000 -0.018 0.000 1.169 87 F CB 0.532 39.466 39.000 -0.109 0.000 1.309 87 F HN 0.402 nan 8.300 nan 0.000 0.537 88 W N 2.606 123.993 121.300 0.144 0.000 2.299 88 W HA 0.258 4.918 4.660 -0.000 0.000 0.319 88 W C -0.915 175.606 176.519 0.003 0.000 1.008 88 W CA -0.820 56.548 57.345 0.039 0.000 1.384 88 W CB 0.733 30.199 29.460 0.010 0.000 1.220 88 W HN 0.453 nan 8.180 nan 0.000 0.402 89 E N 4.077 124.071 120.200 -0.345 0.000 2.292 89 E HA 0.023 4.373 4.350 -0.000 0.000 0.265 89 E C 0.290 176.578 176.600 -0.520 0.000 1.093 89 E CA 0.085 56.272 56.400 -0.355 0.000 0.922 89 E CB 1.509 30.999 29.700 -0.349 0.000 1.001 89 E HN 0.240 nan 8.360 nan 0.000 0.444 90 V N 4.866 124.637 119.914 -0.238 0.000 2.443 90 V HA 0.069 4.189 4.120 -0.000 0.000 0.326 90 V C -0.035 175.999 176.094 -0.101 0.000 1.580 90 V CA -0.039 62.202 62.300 -0.098 0.000 1.629 90 V CB -0.879 30.976 31.823 0.052 0.000 1.471 90 V HN 0.426 nan 8.190 nan 0.000 0.532 91 Q N 0.452 120.155 119.800 -0.162 0.000 2.378 91 Q HA 0.377 4.717 4.340 -0.000 0.000 0.262 91 Q C 0.303 176.219 176.000 -0.140 0.000 0.978 91 Q CA -0.509 55.220 55.803 -0.124 0.000 0.918 91 Q CB 2.394 31.067 28.738 -0.108 0.000 1.415 91 Q HN 0.308 nan 8.270 nan 0.000 0.409 92 L N 0.269 121.423 121.223 -0.115 0.000 2.362 92 L HA 0.109 4.449 4.340 -0.000 0.000 0.219 92 L C 1.028 177.828 176.870 -0.118 0.000 1.134 92 L CA 1.338 56.109 54.840 -0.115 0.000 0.807 92 L CB -0.022 41.976 42.059 -0.103 0.000 0.927 92 L HN 0.803 nan 8.230 nan 0.000 0.447 93 G N -1.000 107.730 108.800 -0.115 0.000 2.317 93 G HA2 0.236 4.196 3.960 -0.000 0.000 0.293 93 G HA3 0.236 4.196 3.960 -0.000 0.000 0.293 93 G C -1.240 173.602 174.900 -0.097 0.000 1.287 93 G CA -0.917 44.121 45.100 -0.104 0.000 0.850 93 G HN -0.137 nan 8.290 nan 0.000 0.515 94 I N 2.509 123.018 120.570 -0.101 0.000 2.638 94 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 94 I C -1.317 174.661 176.117 -0.232 0.000 1.088 94 I CA -1.407 59.796 61.300 -0.162 0.000 1.397 94 I CB 1.382 39.257 38.000 -0.209 0.000 1.414 94 I HN 0.276 nan 8.210 nan 0.000 0.566 95 P HA 0.088 nan 4.420 nan 0.000 0.280 95 P C -0.971 176.145 177.300 -0.306 0.000 1.244 95 P CA -0.117 62.807 63.100 -0.294 0.000 0.784 95 P CB 0.811 32.352 31.700 -0.264 0.000 0.913 96 H N 4.917 123.724 119.070 -0.439 0.000 2.548 96 H HA 0.115 4.671 4.556 -0.000 0.000 0.331 96 H C -1.340 173.524 175.328 -0.773 0.000 1.093 96 H CA -1.670 54.022 56.048 -0.593 0.000 1.367 96 H CB 1.805 31.245 29.762 -0.537 0.000 1.455 96 H HN 0.282 nan 8.280 nan 0.000 0.519 97 P HA -0.141 nan 4.420 nan 0.000 0.217 97 P C 1.070 177.619 177.300 -1.250 0.000 1.150 97 P CA 1.400 63.451 63.100 -1.748 0.000 0.832 97 P CB 0.107 30.049 31.700 -2.930 0.000 0.787 98 A N 0.389 122.712 122.820 -0.829 0.000 2.070 98 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 98 A C 2.506 180.440 177.584 0.583 0.000 1.159 98 A CA 1.711 54.001 52.037 0.421 0.000 0.656 98 A CB -1.756 17.916 19.000 1.119 0.000 0.800 98 A HN 0.346 nan 8.150 nan 0.000 0.453 99 G N -0.726 108.115 108.800 0.069 0.000 2.572 99 G HA2 0.198 4.158 3.960 -0.000 0.000 0.216 99 G HA3 0.198 4.158 3.960 -0.000 0.000 0.216 99 G C 0.619 175.568 174.900 0.082 0.000 1.133 99 G CA -0.130 44.971 45.100 0.002 0.000 0.791 99 G HN 0.431 nan 8.290 nan 0.000 0.538 100 L N 1.145 122.360 121.223 -0.013 0.000 2.455 100 L HA 0.208 4.548 4.340 -0.000 0.000 0.272 100 L C 0.450 177.518 176.870 0.330 0.000 1.174 100 L CA -0.184 54.681 54.840 0.040 0.000 0.869 100 L CB 0.848 42.773 42.059 -0.223 0.000 1.130 100 L HN 0.073 nan 8.230 nan 0.000 0.474 101 K N 2.903 123.520 120.400 0.361 0.000 2.107 101 K HA 0.289 4.609 4.320 -0.000 0.000 0.251 101 K C -0.446 176.415 176.600 0.434 0.000 1.012 101 K CA -0.747 55.785 56.287 0.409 0.000 0.920 101 K CB 0.657 33.340 32.500 0.304 0.000 1.033 101 K HN 0.387 nan 8.250 nan 0.000 0.478 102 K N 2.066 122.640 120.400 0.290 0.000 2.297 102 K HA 0.156 4.476 4.320 -0.000 0.000 0.286 102 K C -0.263 176.394 176.600 0.095 0.000 1.053 102 K CA -0.356 56.006 56.287 0.125 0.000 0.940 102 K CB 0.680 33.164 32.500 -0.026 0.000 1.019 102 K HN 0.187 nan 8.250 nan 0.000 0.475 103 K N 2.340 122.786 120.400 0.076 0.000 2.221 103 K HA 0.254 4.574 4.320 -0.000 0.000 0.243 103 K C 0.589 177.162 176.600 -0.045 0.000 0.968 103 K CA -0.624 55.669 56.287 0.011 0.000 0.846 103 K CB 1.644 34.136 32.500 -0.014 0.000 1.141 103 K HN 0.371 nan 8.250 nan 0.000 0.434 104 K N 0.483 120.836 120.400 -0.078 0.000 2.021 104 K HA 0.072 4.392 4.320 -0.000 0.000 0.205 104 K C 0.269 176.778 176.600 -0.153 0.000 1.047 104 K CA 0.882 57.115 56.287 -0.091 0.000 0.943 104 K CB 0.151 32.603 32.500 -0.079 0.000 0.725 104 K HN 0.307 nan 8.250 nan 0.000 0.439 105 S N 0.800 116.322 115.700 -0.296 0.000 2.478 105 S HA 0.464 4.934 4.470 -0.000 0.000 0.312 105 S C -0.940 173.226 174.600 -0.724 0.000 1.094 105 S CA -0.767 57.077 58.200 -0.593 0.000 1.081 105 S CB 2.247 64.876 63.200 -0.953 0.000 1.007 105 S HN -0.093 nan 8.310 nan 0.000 0.475 106 V N 2.800 122.425 119.914 -0.481 0.000 2.851 106 V HA 0.762 4.882 4.120 -0.000 0.000 0.307 106 V C -0.409 175.426 176.094 -0.432 0.000 1.129 106 V CA -0.706 61.283 62.300 -0.520 0.000 0.932 106 V CB 2.424 33.840 31.823 -0.678 0.000 1.024 106 V HN 1.015 nan 8.190 nan 0.000 0.426 107 T N 0.781 115.044 114.554 -0.485 0.000 2.900 107 T HA 0.789 5.139 4.350 -0.000 0.000 0.303 107 T C -1.334 173.088 174.700 -0.463 0.000 1.142 107 T CA -0.784 61.125 62.100 -0.318 0.000 1.007 107 T CB 1.963 70.822 68.868 -0.016 0.000 1.156 107 T HN 0.353 nan 8.240 nan 0.000 0.490 108 V N 3.208 122.995 119.914 -0.212 0.000 2.357 108 V HA 0.369 4.489 4.120 -0.000 0.000 0.281 108 V C -0.353 175.782 176.094 0.069 0.000 1.015 108 V CA -0.807 61.456 62.300 -0.062 0.000 0.827 108 V CB 0.999 32.858 31.823 0.060 0.000 1.018 108 V HN 0.801 nan 8.190 nan 0.000 0.432 109 L N 4.227 125.475 121.223 0.041 0.000 2.278 109 L HA 0.460 4.800 4.340 -0.000 0.000 0.287 109 L C 0.409 177.335 176.870 0.093 0.000 1.072 109 L CA -0.090 54.782 54.840 0.052 0.000 0.819 109 L CB 0.682 42.748 42.059 0.012 0.000 1.176 109 L HN 0.540 nan 8.230 nan 0.000 0.435 110 D N 4.250 124.703 120.400 0.088 0.000 2.380 110 D HA 0.175 4.815 4.640 -0.000 0.000 0.230 110 D C -0.184 176.152 176.300 0.059 0.000 1.154 110 D CA -0.483 53.567 54.000 0.085 0.000 0.859 110 D CB 1.551 42.391 40.800 0.067 0.000 1.045 110 D HN 0.311 nan 8.370 nan 0.000 0.495 111 V N 2.278 122.238 119.914 0.076 0.000 2.485 111 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 111 V C 0.844 176.948 176.094 0.017 0.000 1.022 111 V CA -0.681 61.662 62.300 0.072 0.000 1.067 111 V CB 0.706 32.616 31.823 0.145 0.000 0.967 111 V HN 0.438 nan 8.190 nan 0.000 0.479 112 G N 2.678 111.479 108.800 0.002 0.000 2.348 112 G HA2 0.507 4.467 3.960 -0.000 0.000 0.312 112 G HA3 0.507 4.467 3.960 -0.000 0.000 0.312 112 G C 0.184 175.046 174.900 -0.064 0.000 1.126 112 G CA 0.299 45.374 45.100 -0.043 0.000 0.865 112 G HN 1.292 nan 8.290 nan 0.000 0.474 113 D N 0.636 120.956 120.400 -0.134 0.000 3.046 113 D HA -0.265 4.375 4.640 -0.000 0.000 0.210 113 D C 1.910 178.141 176.300 -0.115 0.000 1.124 113 D CA 1.874 55.782 54.000 -0.152 0.000 0.986 113 D CB -1.109 39.644 40.800 -0.078 0.000 1.118 113 D HN 0.788 nan 8.370 nan 0.000 0.416 114 A N -0.461 122.249 122.820 -0.184 0.000 2.001 114 A HA -0.316 4.004 4.320 -0.000 0.000 0.224 114 A C 1.880 179.292 177.584 -0.287 0.000 1.203 114 A CA 2.153 54.023 52.037 -0.278 0.000 0.667 114 A CB -0.859 17.818 19.000 -0.539 0.000 0.823 114 A HN 0.515 nan 8.150 nan 0.000 0.473 115 Y N -1.360 118.679 120.300 -0.434 0.000 2.060 115 Y HA -0.123 4.427 4.550 -0.000 0.000 0.276 115 Y C 2.249 178.229 175.900 0.133 0.000 1.127 115 Y CA 0.744 58.724 58.100 -0.201 0.000 1.104 115 Y CB -1.539 36.873 38.460 -0.080 0.000 0.983 115 Y HN 0.358 nan 8.280 nan 0.000 0.483 116 F N 0.044 120.042 119.950 0.079 0.000 2.380 116 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 116 F C 2.450 178.287 175.800 0.061 0.000 1.064 116 F CA 1.169 59.210 58.000 0.069 0.000 1.432 116 F CB -1.368 37.675 39.000 0.072 0.000 1.089 116 F HN -0.034 nan 8.300 nan 0.000 0.562 117 S N -1.225 114.616 115.700 0.235 0.000 2.458 117 S HA 0.056 4.526 4.470 -0.000 0.000 0.223 117 S C 0.888 175.584 174.600 0.160 0.000 1.019 117 S CA 0.102 58.407 58.200 0.175 0.000 0.937 117 S CB 0.160 63.453 63.200 0.154 0.000 0.788 117 S HN -0.051 nan 8.310 nan 0.000 0.511 118 V N 5.759 125.771 119.914 0.163 0.000 2.353 118 V HA 0.229 4.349 4.120 -0.000 0.000 0.264 118 V C -2.127 174.027 176.094 0.099 0.000 1.049 118 V CA -2.187 60.208 62.300 0.158 0.000 0.896 118 V CB 0.807 32.767 31.823 0.228 0.000 1.025 118 V HN 0.225 nan 8.190 nan 0.000 0.475 119 P HA -0.017 nan 4.420 nan 0.000 0.264 119 P C -0.579 176.755 177.300 0.057 0.000 1.183 119 P CA -0.220 62.918 63.100 0.064 0.000 0.763 119 P CB 1.244 32.988 31.700 0.074 0.000 0.807 120 L N 3.263 124.510 121.223 0.040 0.000 2.334 120 L HA 0.344 4.684 4.340 -0.000 0.000 0.277 120 L C 0.299 177.201 176.870 0.053 0.000 1.075 120 L CA -0.375 54.487 54.840 0.037 0.000 0.804 120 L CB 0.319 42.375 42.059 -0.004 0.000 1.174 120 L HN 0.288 nan 8.230 nan 0.000 0.438 121 D N 2.689 123.129 120.400 0.067 0.000 2.493 121 D HA -0.053 4.587 4.640 -0.000 0.000 0.240 121 D C 0.929 177.283 176.300 0.091 0.000 1.142 121 D CA 0.281 54.331 54.000 0.083 0.000 0.872 121 D CB 0.913 41.772 40.800 0.098 0.000 1.173 121 D HN 0.563 nan 8.370 nan 0.000 0.467 122 E N 2.899 123.140 120.200 0.068 0.000 2.033 122 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 122 E C 0.945 177.575 176.600 0.051 0.000 1.011 122 E CA 1.231 57.660 56.400 0.047 0.000 0.815 122 E CB -0.220 29.500 29.700 0.032 0.000 0.755 122 E HN 0.683 nan 8.360 nan 0.000 0.451 123 D N -0.676 119.769 120.400 0.075 0.000 2.400 123 D HA -0.119 4.521 4.640 -0.000 0.000 0.242 123 D C 0.987 177.391 176.300 0.173 0.000 1.077 123 D CA 0.358 54.408 54.000 0.084 0.000 0.943 123 D CB -0.148 40.709 40.800 0.094 0.000 0.882 123 D HN 0.128 nan 8.370 nan 0.000 0.529 124 F N 0.157 120.113 119.950 0.011 0.000 2.834 124 F HA 0.191 4.718 4.527 -0.000 0.000 0.332 124 F C 1.897 177.675 175.800 -0.037 0.000 1.056 124 F CA -0.337 57.727 58.000 0.106 0.000 1.178 124 F CB 0.378 39.393 39.000 0.024 0.000 1.037 124 F HN -0.323 nan 8.300 nan 0.000 0.580 125 R N 1.062 121.557 120.500 -0.008 0.000 2.105 125 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 125 R C 1.857 178.005 176.300 -0.252 0.000 1.135 125 R CA 1.981 58.031 56.100 -0.085 0.000 0.967 125 R CB -0.356 29.929 30.300 -0.025 0.000 0.861 125 R HN 0.280 nan 8.270 nan 0.000 0.442 126 K N 0.125 120.276 120.400 -0.414 0.000 2.049 126 K HA -0.261 4.059 4.320 -0.000 0.000 0.219 126 K C 1.955 178.187 176.600 -0.614 0.000 1.056 126 K CA 2.318 58.287 56.287 -0.529 0.000 0.946 126 K CB -0.621 31.358 32.500 -0.870 0.000 0.723 126 K HN 0.250 nan 8.250 nan 0.000 0.453 127 Y N 1.209 121.127 120.300 -0.637 0.000 2.315 127 Y HA -0.172 4.378 4.550 -0.000 0.000 0.288 127 Y C 2.586 178.276 175.900 -0.351 0.000 1.154 127 Y CA 1.391 59.038 58.100 -0.754 0.000 1.229 127 Y CB -1.240 36.513 38.460 -1.178 0.000 0.980 127 Y HN 0.268 nan 8.280 nan 0.000 0.540 128 T N -1.929 112.557 114.554 -0.113 0.000 3.252 128 T HA 0.449 4.799 4.350 -0.000 0.000 0.250 128 T C 0.819 175.718 174.700 0.332 0.000 1.123 128 T CA 0.046 62.263 62.100 0.194 0.000 1.006 128 T CB -0.763 68.257 68.868 0.254 0.000 0.992 128 T HN 0.265 nan 8.240 nan 0.000 0.547 129 A N 1.667 124.578 122.820 0.151 0.000 2.425 129 A HA 0.591 4.911 4.320 -0.000 0.000 0.242 129 A C -0.102 177.595 177.584 0.189 0.000 1.077 129 A CA -0.586 51.507 52.037 0.094 0.000 0.781 129 A CB -0.222 18.766 19.000 -0.020 0.000 1.020 129 A HN 0.831 nan 8.150 nan 0.000 0.494 130 F N -1.018 118.928 119.950 -0.008 0.000 2.654 130 F HA 0.738 5.265 4.527 -0.000 0.000 0.308 130 F C -0.181 175.594 175.800 -0.042 0.000 1.108 130 F CA -0.364 57.605 58.000 -0.051 0.000 0.957 130 F CB 1.091 40.037 39.000 -0.089 0.000 1.309 130 F HN 0.694 nan 8.300 nan 0.000 0.446 131 T N -0.278 114.259 114.554 -0.029 0.000 2.940 131 T HA 0.846 5.196 4.350 -0.000 0.000 0.288 131 T C -0.849 173.880 174.700 0.047 0.000 1.045 131 T CA -0.842 61.195 62.100 -0.105 0.000 1.018 131 T CB 2.083 70.889 68.868 -0.104 0.000 1.151 131 T HN 0.740 nan 8.240 nan 0.000 0.529 132 I N 1.703 122.279 120.570 0.010 0.000 2.439 132 I HA 0.361 4.531 4.170 -0.000 0.000 0.285 132 I C -2.554 173.572 176.117 0.015 0.000 1.021 132 I CA -2.577 58.766 61.300 0.071 0.000 1.091 132 I CB 2.112 40.188 38.000 0.127 0.000 1.242 132 I HN 0.426 nan 8.210 nan 0.000 0.439 142 I N 0.210 120.694 120.570 -0.143 0.000 2.472 142 I HA 0.529 4.699 4.170 -0.000 0.000 0.290 142 I C 0.535 176.420 176.117 -0.386 0.000 1.016 142 I CA -0.334 60.804 61.300 -0.270 0.000 1.348 142 I CB 1.305 39.178 38.000 -0.211 0.000 1.417 142 I HN 0.511 nan 8.210 nan 0.000 0.521 143 R N 4.959 125.113 120.500 -0.577 0.000 2.451 143 R HA 0.502 4.842 4.340 -0.000 0.000 0.307 143 R C -1.684 174.158 176.300 -0.765 0.000 0.965 143 R CA -0.463 55.297 56.100 -0.566 0.000 0.865 143 R CB 1.314 31.402 30.300 -0.353 0.000 1.174 143 R HN 0.447 nan 8.270 nan 0.000 0.455 144 Y N 0.911 120.725 120.300 -0.810 0.000 2.630 144 Y HA 0.430 4.980 4.550 -0.000 0.000 0.337 144 Y C -0.224 175.231 175.900 -0.742 0.000 1.051 144 Y CA -0.690 56.911 58.100 -0.832 0.000 1.121 144 Y CB 2.114 39.943 38.460 -1.053 0.000 1.299 144 Y HN 0.409 nan 8.280 nan 0.000 0.498 145 Q N 0.729 120.436 119.800 -0.154 0.000 2.284 145 Q HA 0.344 4.684 4.340 -0.000 0.000 0.269 145 Q C -1.852 174.182 176.000 0.056 0.000 1.026 145 Q CA -0.740 55.056 55.803 -0.011 0.000 0.831 145 Q CB 1.564 30.277 28.738 -0.041 0.000 1.322 145 Q HN 0.713 nan 8.270 nan 0.000 0.419 146 Y N 1.841 122.234 120.300 0.155 0.000 2.511 146 Y HA 0.031 4.581 4.550 -0.000 0.000 0.347 146 Y C 1.184 177.072 175.900 -0.020 0.000 1.257 146 Y CA 0.854 58.986 58.100 0.053 0.000 1.469 146 Y CB 0.588 39.069 38.460 0.034 0.000 1.353 146 Y HN 0.670 nan 8.280 nan 0.000 0.617 147 N N -0.354 118.437 118.700 0.152 0.000 2.143 147 N HA 0.176 4.916 4.740 -0.000 0.000 0.222 147 N C -1.297 174.231 175.510 0.030 0.000 1.264 147 N CA 0.360 53.447 53.050 0.061 0.000 0.897 147 N CB 1.200 39.705 38.487 0.028 0.000 1.092 147 N HN 0.213 nan 8.380 nan 0.000 0.516 148 V N 0.930 120.846 119.914 0.004 0.000 3.114 148 V HA 0.370 4.490 4.120 -0.000 0.000 0.308 148 V C 0.083 176.093 176.094 -0.140 0.000 1.168 148 V CA -1.022 61.244 62.300 -0.058 0.000 1.015 148 V CB 2.822 34.579 31.823 -0.109 0.000 1.050 148 V HN -0.041 nan 8.190 nan 0.000 0.433 149 L N 3.836 125.000 121.223 -0.097 0.000 2.771 149 L HA 0.011 4.351 4.340 -0.000 0.000 0.278 149 L C -2.240 174.485 176.870 -0.243 0.000 1.175 149 L CA -0.364 54.388 54.840 -0.147 0.000 0.973 149 L CB -0.212 41.679 42.059 -0.280 0.000 1.286 149 L HN 0.421 nan 8.230 nan 0.000 0.481 150 P HA 0.080 nan 4.420 nan 0.000 0.274 150 P C -0.071 177.202 177.300 -0.044 0.000 1.237 150 P CA -0.436 62.337 63.100 -0.544 0.000 0.793 150 P CB 0.775 32.012 31.700 -0.773 0.000 0.977 151 Q N 1.184 121.114 119.800 0.216 0.000 1.975 151 Q HA -0.098 4.242 4.340 -0.000 0.000 0.205 151 Q C 2.206 178.373 176.000 0.279 0.000 0.990 151 Q CA 2.428 58.425 55.803 0.323 0.000 0.845 151 Q CB -1.345 27.570 28.738 0.296 0.000 0.913 151 Q HN 0.654 nan 8.270 nan 0.000 0.420 152 G N -1.153 107.892 108.800 0.407 0.000 2.712 152 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.212 152 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.212 152 G C -0.348 174.680 174.900 0.213 0.000 1.142 152 G CA -0.509 44.814 45.100 0.371 0.000 0.789 152 G HN 0.222 nan 8.290 nan 0.000 0.535 153 W N 1.901 123.048 121.300 -0.254 0.000 2.293 153 W HA 0.143 4.803 4.660 -0.000 0.000 0.342 153 W C 1.588 177.971 176.519 -0.228 0.000 1.274 153 W CA -0.681 56.398 57.345 -0.442 0.000 1.290 153 W CB 0.782 29.831 29.460 -0.686 0.000 1.176 153 W HN 0.042 nan 8.180 nan 0.000 0.570 154 K N 3.010 122.880 120.400 -0.883 0.000 2.147 154 K HA -0.113 4.207 4.320 -0.000 0.000 0.205 154 K C 1.941 177.882 176.600 -1.099 0.000 1.049 154 K CA 1.733 57.573 56.287 -0.745 0.000 0.936 154 K CB -0.462 31.797 32.500 -0.402 0.000 0.722 154 K HN 0.734 nan 8.250 nan 0.000 0.446 155 G N 0.122 107.605 108.800 -2.195 0.000 2.404 155 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.214 155 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.214 155 G C 1.308 175.425 174.900 -1.304 0.000 1.189 155 G CA 0.788 44.574 45.100 -2.190 0.000 0.789 155 G HN 0.327 nan 8.290 nan 0.000 0.533 156 S N 1.738 116.847 115.700 -0.984 0.000 2.469 156 S HA -0.253 4.217 4.470 -0.000 0.000 0.309 156 S C 0.524 174.761 174.600 -0.605 0.000 1.209 156 S CA 2.325 60.052 58.200 -0.787 0.000 1.281 156 S CB -1.499 61.212 63.200 -0.814 0.000 1.265 156 S HN 0.507 nan 8.310 nan 0.000 0.452 157 P HA -0.128 nan 4.420 nan 0.000 0.211 157 P C 1.412 178.580 177.300 -0.220 0.000 1.179 157 P CA 2.000 65.042 63.100 -0.097 0.000 0.910 157 P CB -0.267 31.354 31.700 -0.132 0.000 0.785 158 A N -0.191 122.373 122.820 -0.426 0.000 1.978 158 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 158 A C 2.344 179.692 177.584 -0.394 0.000 1.170 158 A CA 1.588 53.364 52.037 -0.434 0.000 0.636 158 A CB -1.252 17.396 19.000 -0.586 0.000 0.810 158 A HN 0.109 nan 8.150 nan 0.000 0.448 159 I N -1.854 118.434 120.570 -0.470 0.000 2.333 159 I HA -0.095 4.075 4.170 -0.000 0.000 0.246 159 I C 2.261 178.311 176.117 -0.113 0.000 1.106 159 I CA 0.898 62.031 61.300 -0.278 0.000 1.411 159 I CB -1.500 36.340 38.000 -0.266 0.000 1.082 159 I HN 0.414 nan 8.210 nan 0.000 0.420 160 F N 2.180 121.994 119.950 -0.226 0.000 2.126 160 F HA -0.263 4.264 4.527 -0.000 0.000 0.299 160 F C 2.717 178.480 175.800 -0.062 0.000 1.096 160 F CA 2.054 60.003 58.000 -0.085 0.000 1.255 160 F CB -0.646 38.403 39.000 0.082 0.000 0.997 160 F HN 0.162 nan 8.300 nan 0.000 0.479 161 Q N -0.616 118.982 119.800 -0.335 0.000 2.050 161 Q HA -0.219 4.121 4.340 -0.000 0.000 0.202 161 Q C 2.495 178.307 176.000 -0.314 0.000 0.980 161 Q CA 2.158 57.723 55.803 -0.396 0.000 0.840 161 Q CB -0.499 28.097 28.738 -0.237 0.000 0.898 161 Q HN 0.417 nan 8.270 nan 0.000 0.424 162 S N -0.538 115.035 115.700 -0.211 0.000 2.370 162 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 162 S C 1.973 176.478 174.600 -0.159 0.000 1.033 162 S CA 1.656 59.770 58.200 -0.144 0.000 1.011 162 S CB -0.267 62.879 63.200 -0.090 0.000 0.852 162 S HN 0.520 nan 8.310 nan 0.000 0.457 163 S N 1.680 117.277 115.700 -0.173 0.000 2.338 163 S HA -0.021 4.449 4.470 -0.000 0.000 0.218 163 S C 2.002 176.454 174.600 -0.248 0.000 1.032 163 S CA 1.372 59.483 58.200 -0.148 0.000 0.999 163 S CB -0.426 62.758 63.200 -0.025 0.000 0.905 163 S HN 0.411 nan 8.310 nan 0.000 0.439 164 M N 1.843 121.197 119.600 -0.411 0.000 2.143 164 M HA -0.145 4.335 4.480 -0.000 0.000 0.258 164 M C 2.502 178.644 176.300 -0.263 0.000 1.071 164 M CA 2.042 57.097 55.300 -0.408 0.000 1.088 164 M CB -1.966 30.238 32.600 -0.659 0.000 1.360 164 M HN 0.646 nan 8.290 nan 0.000 0.404 165 T N -2.574 111.845 114.554 -0.226 0.000 2.851 165 T HA -0.075 4.275 4.350 -0.000 0.000 0.262 165 T C 1.837 176.458 174.700 -0.133 0.000 1.043 165 T CA 0.887 62.904 62.100 -0.139 0.000 1.140 165 T CB -0.212 68.595 68.868 -0.101 0.000 0.872 165 T HN 0.342 nan 8.240 nan 0.000 0.446 166 K N 0.861 121.165 120.400 -0.160 0.000 2.103 166 K HA 0.034 4.354 4.320 -0.000 0.000 0.207 166 K C 2.236 178.681 176.600 -0.258 0.000 1.048 166 K CA 1.627 57.815 56.287 -0.164 0.000 0.930 166 K CB -0.438 31.969 32.500 -0.155 0.000 0.716 166 K HN 0.433 nan 8.250 nan 0.000 0.444 167 I N 0.890 121.221 120.570 -0.398 0.000 2.286 167 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 167 I C 2.147 178.163 176.117 -0.169 0.000 1.104 167 I CA 1.048 61.975 61.300 -0.622 0.000 1.397 167 I CB -0.200 37.325 38.000 -0.791 0.000 1.072 167 I HN 0.110 nan 8.210 nan 0.000 0.417 168 L N 0.383 121.554 121.223 -0.086 0.000 2.093 168 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 168 L C 2.685 179.603 176.870 0.080 0.000 1.085 168 L CA 0.948 55.812 54.840 0.040 0.000 0.755 168 L CB -0.734 41.334 42.059 0.016 0.000 0.904 168 L HN 0.334 nan 8.230 nan 0.000 0.435 169 E N 1.009 121.224 120.200 0.025 0.000 2.136 169 E HA -0.266 4.084 4.350 -0.000 0.000 0.208 169 E C -0.436 176.195 176.600 0.051 0.000 1.035 169 E CA 2.306 58.726 56.400 0.033 0.000 0.838 169 E CB -1.155 28.548 29.700 0.006 0.000 0.748 169 E HN 0.310 nan 8.360 nan 0.000 0.459 170 P HA -0.115 nan 4.420 nan 0.000 0.212 170 P C 1.504 178.799 177.300 -0.007 0.000 1.180 170 P CA 1.550 64.696 63.100 0.077 0.000 0.906 170 P CB -0.471 31.358 31.700 0.215 0.000 0.782 171 F N 0.889 120.660 119.950 -0.297 0.000 2.236 171 F HA -0.210 4.317 4.527 -0.000 0.000 0.302 171 F C 1.708 177.421 175.800 -0.144 0.000 1.073 171 F CA 1.633 59.435 58.000 -0.329 0.000 1.336 171 F CB -0.369 38.356 39.000 -0.457 0.000 1.040 171 F HN -0.211 nan 8.300 nan 0.000 0.507 172 K N 0.245 120.692 120.400 0.079 0.000 2.062 172 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 172 K C 2.053 178.608 176.600 -0.074 0.000 1.051 172 K CA 1.314 57.613 56.287 0.019 0.000 0.941 172 K CB -0.198 32.354 32.500 0.086 0.000 0.719 172 K HN 0.232 nan 8.250 nan 0.000 0.440 173 K N 1.046 121.415 120.400 -0.053 0.000 2.211 173 K HA -0.221 4.099 4.320 -0.000 0.000 0.204 173 K C 2.208 178.746 176.600 -0.103 0.000 1.047 173 K CA 1.248 57.502 56.287 -0.054 0.000 0.935 173 K CB 0.017 32.501 32.500 -0.026 0.000 0.728 173 K HN 0.236 nan 8.250 nan 0.000 0.452 174 Q N 0.898 120.592 119.800 -0.178 0.000 2.269 174 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 174 Q C -0.326 175.491 176.000 -0.305 0.000 0.946 174 Q CA 0.989 56.650 55.803 -0.236 0.000 0.877 174 Q CB 0.329 28.887 28.738 -0.300 0.000 0.963 174 Q HN 0.273 nan 8.270 nan 0.000 0.472 175 N N 0.584 119.050 118.700 -0.390 0.000 2.813 175 N HA 0.195 4.935 4.740 -0.000 0.000 0.282 175 N C -2.456 172.956 175.510 -0.164 0.000 1.748 175 N CA -1.152 51.696 53.050 -0.336 0.000 0.860 175 N CB 1.625 39.756 38.487 -0.593 0.000 1.204 175 N HN 0.090 nan 8.380 nan 0.000 0.490 176 P HA -0.166 nan 4.420 nan 0.000 0.222 176 P C 0.339 177.625 177.300 -0.024 0.000 1.142 176 P CA 1.085 64.159 63.100 -0.044 0.000 0.788 176 P CB 0.260 31.939 31.700 -0.036 0.000 0.767 177 D N -0.823 119.556 120.400 -0.034 0.000 2.194 177 D HA -0.006 4.634 4.640 -0.000 0.000 0.204 177 D C 1.065 177.365 176.300 0.000 0.000 0.964 177 D CA 0.660 54.652 54.000 -0.013 0.000 0.846 177 D CB 0.057 40.847 40.800 -0.016 0.000 0.962 177 D HN 0.251 nan 8.370 nan 0.000 0.490 178 I N 1.392 121.964 120.570 0.004 0.000 2.581 178 I HA 0.088 4.258 4.170 -0.000 0.000 0.288 178 I C -0.075 176.054 176.117 0.020 0.000 1.047 178 I CA -0.422 60.901 61.300 0.039 0.000 1.374 178 I CB 1.781 39.850 38.000 0.115 0.000 1.423 178 I HN -0.341 nan 8.210 nan 0.000 0.549 179 V N 7.028 126.923 119.914 -0.031 0.000 2.409 179 V HA 0.418 4.538 4.120 -0.000 0.000 0.290 179 V C -0.137 175.838 176.094 -0.198 0.000 1.017 179 V CA -0.371 61.854 62.300 -0.126 0.000 0.841 179 V CB 1.444 33.137 31.823 -0.217 0.000 1.003 179 V HN 0.440 nan 8.190 nan 0.000 0.426 180 I N 5.337 125.854 120.570 -0.089 0.000 2.362 180 I HA 0.488 4.658 4.170 -0.000 0.000 0.289 180 I C -1.179 175.031 176.117 0.154 0.000 0.994 180 I CA -0.699 60.596 61.300 -0.009 0.000 1.158 180 I CB 1.410 39.450 38.000 0.066 0.000 1.315 180 I HN 0.409 nan 8.210 nan 0.000 0.451 181 Y N 4.743 125.145 120.300 0.170 0.000 2.341 181 Y HA 0.420 4.970 4.550 -0.000 0.000 0.338 181 Y C 0.085 176.208 175.900 0.372 0.000 0.965 181 Y CA -1.149 57.078 58.100 0.213 0.000 1.108 181 Y CB 1.566 40.097 38.460 0.119 0.000 1.180 181 Y HN 0.520 nan 8.280 nan 0.000 0.458 182 Q N 2.756 122.832 119.800 0.460 0.000 2.266 182 Q HA 0.453 4.793 4.340 -0.000 0.000 0.261 182 Q C -2.024 174.172 176.000 0.326 0.000 0.985 182 Q CA -0.859 55.151 55.803 0.346 0.000 0.873 182 Q CB 1.796 30.607 28.738 0.123 0.000 1.306 182 Q HN 0.766 nan 8.270 nan 0.000 0.447 183 Y N 5.371 125.723 120.300 0.086 0.000 2.323 183 Y HA 0.237 4.787 4.550 -0.000 0.000 0.333 183 Y C -0.644 175.207 175.900 -0.082 0.000 1.173 183 Y CA -0.189 57.849 58.100 -0.104 0.000 1.342 183 Y CB 0.245 38.481 38.460 -0.374 0.000 1.168 183 Y HN 0.991 nan 8.280 nan 0.000 0.464 184 M N 0.657 120.061 119.600 -0.327 0.000 7.319 184 M HA -0.292 4.188 4.480 -0.000 0.000 0.215 184 M C 0.394 176.744 176.300 0.082 0.000 0.480 184 M CA 1.688 56.889 55.300 -0.166 0.000 1.311 184 M CB -0.727 31.696 32.600 -0.295 0.000 0.421 184 M HN 0.669 nan 8.290 nan 0.000 0.582 185 D N 1.032 121.446 120.400 0.023 0.000 2.348 185 D HA 0.052 4.692 4.640 -0.000 0.000 0.248 185 D C -0.505 175.858 176.300 0.105 0.000 1.142 185 D CA 0.764 54.800 54.000 0.060 0.000 0.904 185 D CB -0.673 40.074 40.800 -0.089 0.000 0.901 185 D HN 0.384 nan 8.370 nan 0.000 0.523 186 D N 0.764 121.257 120.400 0.155 0.000 2.492 186 D HA 0.263 4.903 4.640 -0.000 0.000 0.248 186 D C -0.131 176.394 176.300 0.375 0.000 1.101 186 D CA -0.501 53.650 54.000 0.252 0.000 0.840 186 D CB 2.193 43.161 40.800 0.279 0.000 1.209 186 D HN 0.092 nan 8.370 nan 0.000 0.524 187 L N 3.193 124.592 121.223 0.293 0.000 2.297 187 L HA 0.208 4.548 4.340 -0.000 0.000 0.277 187 L C -0.438 176.536 176.870 0.173 0.000 1.040 187 L CA -0.948 54.041 54.840 0.250 0.000 0.867 187 L CB 0.446 42.569 42.059 0.107 0.000 1.244 187 L HN 0.371 nan 8.230 nan 0.000 0.433 188 Y N 4.624 124.912 120.300 -0.020 0.000 2.531 188 Y HA 0.289 4.839 4.550 -0.000 0.000 0.347 188 Y C -0.420 175.267 175.900 -0.354 0.000 1.024 188 Y CA -0.365 57.453 58.100 -0.469 0.000 1.306 188 Y CB 0.656 38.313 38.460 -1.339 0.000 1.149 188 Y HN 0.218 nan 8.280 nan 0.000 0.527 189 V N 7.202 126.829 119.914 -0.479 0.000 2.334 189 V HA 0.666 4.786 4.120 -0.000 0.000 0.281 189 V C 0.471 176.267 176.094 -0.496 0.000 1.016 189 V CA -0.302 61.798 62.300 -0.334 0.000 0.832 189 V CB 0.879 32.597 31.823 -0.176 0.000 0.999 189 V HN 0.998 nan 8.190 nan 0.000 0.439 190 G N 2.953 111.479 108.800 -0.456 0.000 2.498 190 G HA2 0.831 4.791 3.960 -0.000 0.000 0.312 190 G HA3 0.831 4.791 3.960 -0.000 0.000 0.312 190 G C -0.690 174.124 174.900 -0.144 0.000 1.230 190 G CA -0.447 44.413 45.100 -0.400 0.000 0.968 190 G HN 1.063 nan 8.290 nan 0.000 0.481 191 S N -0.181 115.425 115.700 -0.157 0.000 2.579 191 S HA 0.271 4.741 4.470 -0.000 0.000 0.290 191 S C -1.778 172.747 174.600 -0.126 0.000 1.123 191 S CA -0.927 57.230 58.200 -0.072 0.000 0.894 191 S CB 1.945 65.177 63.200 0.054 0.000 1.095 191 S HN 0.397 nan 8.310 nan 0.000 0.450 192 D N 2.680 123.042 120.400 -0.063 0.000 2.508 192 D HA 0.441 5.081 4.640 -0.000 0.000 0.224 192 D C -0.254 176.018 176.300 -0.047 0.000 1.171 192 D CA 0.328 54.293 54.000 -0.060 0.000 1.006 192 D CB 0.035 40.820 40.800 -0.025 0.000 1.073 192 D HN 0.463 nan 8.370 nan 0.000 0.513 193 L N 0.755 121.934 121.223 -0.074 0.000 2.341 193 L HA 0.291 4.631 4.340 -0.000 0.000 0.254 193 L C 0.042 176.898 176.870 -0.024 0.000 1.040 193 L CA -1.209 53.615 54.840 -0.026 0.000 0.837 193 L CB 1.888 43.966 42.059 0.031 0.000 1.425 193 L HN -0.118 nan 8.230 nan 0.000 0.414 194 E N 1.359 121.566 120.200 0.011 0.000 2.351 194 E HA 0.059 4.409 4.350 -0.000 0.000 0.266 194 E C 1.004 177.631 176.600 0.045 0.000 1.031 194 E CA -0.112 56.299 56.400 0.018 0.000 0.911 194 E CB 0.324 30.037 29.700 0.022 0.000 0.986 194 E HN 0.314 nan 8.360 nan 0.000 0.446 195 I N 2.680 123.271 120.570 0.035 0.000 2.358 195 I HA -0.301 3.869 4.170 -0.000 0.000 0.257 195 I C 1.750 177.926 176.117 0.097 0.000 1.123 195 I CA 1.782 63.126 61.300 0.074 0.000 1.393 195 I CB -1.408 36.624 38.000 0.055 0.000 1.073 195 I HN 0.671 nan 8.210 nan 0.000 0.437 196 G N 0.229 109.068 108.800 0.066 0.000 2.505 196 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.214 196 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.214 196 G C 1.451 176.391 174.900 0.065 0.000 1.237 196 G CA 0.317 45.451 45.100 0.056 0.000 0.802 196 G HN 0.425 nan 8.290 nan 0.000 0.549 197 Q N -0.634 119.205 119.800 0.064 0.000 2.234 197 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 197 Q C 2.209 178.266 176.000 0.096 0.000 0.980 197 Q CA 1.215 57.056 55.803 0.063 0.000 0.869 197 Q CB -0.326 28.442 28.738 0.051 0.000 0.912 197 Q HN 0.723 nan 8.270 nan 0.000 0.436 198 H N 1.163 120.239 119.070 0.009 0.000 2.276 198 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 198 H C 2.318 177.656 175.328 0.017 0.000 1.073 198 H CA 1.601 57.654 56.048 0.007 0.000 1.311 198 H CB 0.125 29.884 29.762 -0.005 0.000 1.379 198 H HN 0.129 nan 8.280 nan 0.000 0.494 199 R N 0.089 120.609 120.500 0.033 0.000 2.134 199 R HA -0.167 4.173 4.340 -0.000 0.000 0.248 199 R C 2.150 178.421 176.300 -0.048 0.000 1.143 199 R CA 2.490 58.570 56.100 -0.032 0.000 0.957 199 R CB -0.457 29.861 30.300 0.030 0.000 0.867 199 R HN 0.330 nan 8.270 nan 0.000 0.441 200 T N 1.185 115.735 114.554 -0.008 0.000 2.708 200 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 200 T C 1.705 176.411 174.700 0.010 0.000 1.037 200 T CA 1.287 63.391 62.100 0.007 0.000 1.146 200 T CB -0.083 68.799 68.868 0.022 0.000 0.865 200 T HN 0.213 nan 8.240 nan 0.000 0.435 201 K N 0.985 121.387 120.400 0.005 0.000 2.032 201 K HA 0.008 4.328 4.320 -0.000 0.000 0.209 201 K C 2.208 178.827 176.600 0.031 0.000 1.048 201 K CA 0.865 57.189 56.287 0.061 0.000 0.927 201 K CB -0.654 31.891 32.500 0.075 0.000 0.712 201 K HN 0.301 nan 8.250 nan 0.000 0.441 202 I N 1.578 122.063 120.570 -0.142 0.000 2.335 202 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 202 I C 2.428 178.497 176.117 -0.081 0.000 1.129 202 I CA 1.141 62.337 61.300 -0.174 0.000 1.402 202 I CB -1.091 36.734 38.000 -0.291 0.000 1.069 202 I HN 0.372 nan 8.210 nan 0.000 0.424 203 E N 1.581 121.758 120.200 -0.038 0.000 2.012 203 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 203 E C 1.963 178.580 176.600 0.030 0.000 1.007 203 E CA 1.751 58.150 56.400 -0.000 0.000 0.816 203 E CB -0.070 29.639 29.700 0.015 0.000 0.762 203 E HN 0.516 nan 8.360 nan 0.000 0.451 204 E N 0.421 120.666 120.200 0.075 0.000 2.068 204 E HA -0.270 4.080 4.350 -0.000 0.000 0.207 204 E C 2.268 178.948 176.600 0.133 0.000 1.032 204 E CA 1.654 58.143 56.400 0.148 0.000 0.839 204 E CB -0.397 29.447 29.700 0.240 0.000 0.758 204 E HN 0.252 nan 8.360 nan 0.000 0.457 205 L N 1.392 122.624 121.223 0.015 0.000 2.013 205 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 205 L C 2.433 179.202 176.870 -0.168 0.000 1.073 205 L CA 1.947 56.527 54.840 -0.433 0.000 0.753 205 L CB -0.397 41.221 42.059 -0.736 0.000 0.890 205 L HN -0.019 nan 8.230 nan 0.000 0.432 206 R N -1.035 119.412 120.500 -0.089 0.000 2.127 206 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 206 R C 2.233 178.551 176.300 0.030 0.000 1.134 206 R CA 1.992 58.075 56.100 -0.029 0.000 0.975 206 R CB -0.145 30.142 30.300 -0.022 0.000 0.865 206 R HN 0.612 nan 8.270 nan 0.000 0.447 207 Q N -1.516 118.321 119.800 0.062 0.000 2.187 207 Q HA -0.150 4.190 4.340 -0.000 0.000 0.199 207 Q C 1.966 178.060 176.000 0.157 0.000 0.957 207 Q CA 1.053 56.913 55.803 0.094 0.000 0.857 207 Q CB -0.147 28.647 28.738 0.093 0.000 0.929 207 Q HN 0.551 nan 8.270 nan 0.000 0.453 208 H N 1.214 120.339 119.070 0.093 0.000 2.293 208 H HA -0.117 4.439 4.556 -0.000 0.000 0.300 208 H C 2.025 177.526 175.328 0.288 0.000 1.082 208 H CA 1.332 57.499 56.048 0.198 0.000 1.308 208 H CB 0.067 29.929 29.762 0.167 0.000 1.375 208 H HN 0.199 nan 8.280 nan 0.000 0.495 209 L N 0.300 121.628 121.223 0.176 0.000 2.043 209 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 209 L C 2.877 179.839 176.870 0.154 0.000 1.075 209 L CA 0.872 55.789 54.840 0.128 0.000 0.752 209 L CB -0.505 41.597 42.059 0.073 0.000 0.891 209 L HN 0.259 nan 8.230 nan 0.000 0.432 210 L N 0.126 121.413 121.223 0.107 0.000 2.079 210 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 210 L C 2.537 179.431 176.870 0.039 0.000 1.081 210 L CA 1.660 56.544 54.840 0.074 0.000 0.752 210 L CB -0.481 41.609 42.059 0.052 0.000 0.896 210 L HN 0.103 nan 8.230 nan 0.000 0.433 211 R N -2.126 118.375 120.500 0.001 0.000 2.339 211 R HA -0.112 4.228 4.340 -0.000 0.000 0.199 211 R C 0.493 176.565 176.300 -0.381 0.000 1.018 211 R CA 0.846 56.837 56.100 -0.183 0.000 1.036 211 R CB -0.259 29.890 30.300 -0.252 0.000 0.899 211 R HN 0.445 nan 8.270 nan 0.000 0.473 212 W N -0.824 120.421 121.300 -0.092 0.000 2.653 212 W HA 0.290 4.950 4.660 -0.000 0.000 0.391 212 W C 1.101 177.613 176.519 -0.011 0.000 0.962 212 W CA 0.198 57.501 57.345 -0.069 0.000 1.900 212 W CB 0.967 30.355 29.460 -0.121 0.000 1.176 212 W HN 0.180 nan 8.180 nan 0.000 0.582 213 G N 0.793 109.688 108.800 0.157 0.000 2.245 213 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.264 213 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.264 213 G C 0.238 175.221 174.900 0.138 0.000 0.985 213 G CA 0.148 45.325 45.100 0.128 0.000 0.625 213 G HN 0.147 nan 8.290 nan 0.000 0.536 214 L N 2.607 123.932 121.223 0.169 0.000 2.407 214 L HA 0.353 4.693 4.340 -0.000 0.000 0.282 214 L C 0.307 177.237 176.870 0.101 0.000 1.110 214 L CA -0.019 54.907 54.840 0.143 0.000 0.863 214 L CB 0.603 42.758 42.059 0.160 0.000 1.207 214 L HN 0.078 nan 8.230 nan 0.000 0.454 215 T N 1.043 115.644 114.554 0.079 0.000 2.744 215 T HA 0.292 4.642 4.350 -0.000 0.000 0.291 215 T C 0.502 175.229 174.700 0.045 0.000 0.957 215 T CA -0.574 61.559 62.100 0.056 0.000 1.002 215 T CB 0.906 69.802 68.868 0.046 0.000 0.919 215 T HN 0.610 nan 8.240 nan 0.000 0.468 216 T N 2.251 116.828 114.554 0.039 0.000 2.781 216 T HA 0.456 4.806 4.350 -0.000 0.000 0.305 216 T C -2.513 172.202 174.700 0.026 0.000 1.001 216 T CA -2.071 60.048 62.100 0.032 0.000 0.950 216 T CB 0.285 69.169 68.868 0.027 0.000 0.955 216 T HN 0.169 nan 8.240 nan 0.000 0.471 217 P HA 0.069 nan 4.420 nan 0.000 0.269 217 P C 0.493 177.807 177.300 0.023 0.000 1.205 217 P CA -0.045 63.066 63.100 0.019 0.000 0.780 217 P CB 0.520 32.228 31.700 0.014 0.000 0.858 218 D N 1.287 121.699 120.400 0.021 0.000 2.234 218 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 218 D C 0.938 177.254 176.300 0.026 0.000 0.962 218 D CA 0.778 54.792 54.000 0.022 0.000 0.855 218 D CB -0.304 40.507 40.800 0.019 0.000 0.951 218 D HN 0.260 nan 8.370 nan 0.000 0.500 219 K N 0.029 120.443 120.400 0.024 0.000 2.146 219 K HA 0.428 4.748 4.320 -0.000 0.000 0.220 219 K C 0.581 177.205 176.600 0.040 0.000 1.227 219 K CA 0.544 56.848 56.287 0.027 0.000 1.185 219 K CB -0.967 31.545 32.500 0.020 0.000 1.333 219 K HN 0.424 nan 8.250 nan 0.000 0.242 220 K N -1.147 119.284 120.400 0.051 0.000 4.259 220 K HA 0.611 4.931 4.320 -0.000 0.000 0.182 220 K C 2.014 178.676 176.600 0.102 0.000 1.151 220 K CA 1.304 57.636 56.287 0.075 0.000 1.809 220 K CB -0.431 32.112 32.500 0.072 0.000 2.506 220 K HN 1.206 nan 8.250 nan 0.000 0.516 221 H N -2.133 117.016 119.070 0.131 0.000 3.794 221 H HA 0.461 5.017 4.556 -0.000 0.000 0.258 221 H C 2.342 177.735 175.328 0.109 0.000 1.120 221 H CA 1.645 57.802 56.048 0.181 0.000 1.166 221 H CB -0.575 29.451 29.762 0.441 0.000 1.517 221 H HN 0.876 nan 8.280 nan 0.000 0.615 222 Q N 0.260 120.120 119.800 0.100 0.000 2.352 222 Q HA -0.314 4.026 4.340 -0.000 0.000 0.218 222 Q C 2.105 178.129 176.000 0.039 0.000 1.037 222 Q CA 5.179 61.026 55.803 0.073 0.000 1.003 222 Q CB -1.699 27.066 28.738 0.044 0.000 1.016 222 Q HN 1.402 nan 8.270 nan 0.000 0.421 223 K N -0.701 119.685 120.400 -0.023 0.000 2.641 223 K HA 0.307 4.627 4.320 -0.000 0.000 0.222 223 K C 0.739 177.232 176.600 -0.178 0.000 1.474 223 K CA 0.293 56.544 56.287 -0.059 0.000 0.873 223 K CB -0.188 32.289 32.500 -0.039 0.000 1.817 223 K HN 0.648 nan 8.250 nan 0.000 0.419 224 E N 2.412 122.491 120.200 -0.202 0.000 3.131 224 E HA -0.068 4.282 4.350 -0.000 0.000 0.258 224 E C -1.678 174.617 176.600 -0.509 0.000 0.901 224 E CA -0.359 55.884 56.400 -0.261 0.000 0.964 224 E CB 0.761 30.354 29.700 -0.179 0.000 0.903 224 E HN 0.379 nan 8.360 nan 0.000 0.537 225 P HA -0.071 nan 4.420 nan 0.000 0.221 225 P C -1.964 175.233 177.300 -0.171 0.000 1.150 225 P CA 0.874 63.833 63.100 -0.235 0.000 0.800 225 P CB -0.651 31.059 31.700 0.016 0.000 0.787 226 P HA 0.111 nan 4.420 nan 0.000 0.231 226 P C -0.402 176.875 177.300 -0.038 0.000 1.811 226 P CA -0.564 62.487 63.100 -0.082 0.000 1.051 226 P CB -0.957 30.808 31.700 0.107 0.000 1.951 227 F N 1.344 121.328 119.950 0.056 0.000 2.518 227 F HA 0.070 4.597 4.527 -0.000 0.000 0.359 227 F C 1.593 177.476 175.800 0.139 0.000 1.118 227 F CA 0.056 58.117 58.000 0.103 0.000 1.287 227 F CB 0.453 39.528 39.000 0.124 0.000 1.132 227 F HN 0.092 nan 8.300 nan 0.000 0.587 228 L N 3.788 125.218 121.223 0.345 0.000 2.475 228 L HA 0.134 4.474 4.340 -0.000 0.000 0.253 228 L C -1.006 176.053 176.870 0.316 0.000 1.137 228 L CA -0.348 54.648 54.840 0.260 0.000 1.058 228 L CB 0.009 42.156 42.059 0.147 0.000 1.382 228 L HN 0.666 nan 8.230 nan 0.000 0.416 229 W N 5.794 127.186 121.300 0.154 0.000 2.342 229 W HA 0.374 5.034 4.660 -0.000 0.000 0.310 229 W C 0.645 177.142 176.519 -0.036 0.000 1.128 229 W CA -0.693 56.721 57.345 0.115 0.000 1.322 229 W CB 0.671 30.260 29.460 0.215 0.000 1.251 229 W HN 0.427 nan 8.180 nan 0.000 0.439 230 M N 6.127 125.527 119.600 -0.334 0.000 2.653 230 M HA -0.253 4.227 4.480 -0.000 0.000 0.203 230 M C 1.347 177.211 176.300 -0.727 0.000 0.502 230 M CA 1.439 56.328 55.300 -0.684 0.000 0.601 230 M CB -1.701 30.163 32.600 -1.227 0.000 2.228 230 M HN 1.094 nan 8.290 nan 0.000 0.711 231 G N -1.211 107.384 108.800 -0.341 0.000 2.168 231 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 231 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 231 G C -0.443 174.340 174.900 -0.196 0.000 0.977 231 G CA 0.607 45.545 45.100 -0.269 0.000 0.659 231 G HN 0.584 nan 8.290 nan 0.000 0.533 232 Y N 1.545 121.874 120.300 0.050 0.000 2.454 232 Y HA 0.467 5.017 4.550 -0.000 0.000 0.345 232 Y C 0.793 176.809 175.900 0.192 0.000 0.970 232 Y CA -1.734 56.432 58.100 0.110 0.000 1.204 232 Y CB 0.631 39.100 38.460 0.014 0.000 1.122 232 Y HN 0.241 nan 8.280 nan 0.000 0.514 233 E N 4.609 124.992 120.200 0.305 0.000 2.292 233 E HA 0.085 4.435 4.350 -0.000 0.000 0.265 233 E C -0.582 176.057 176.600 0.065 0.000 1.093 233 E CA 0.046 56.513 56.400 0.112 0.000 0.922 233 E CB 0.430 30.109 29.700 -0.034 0.000 1.001 233 E HN 0.551 nan 8.360 nan 0.000 0.444 234 L N 5.326 126.682 121.223 0.223 0.000 2.389 234 L HA 0.200 4.540 4.340 -0.000 0.000 0.265 234 L C 0.156 177.238 176.870 0.353 0.000 1.167 234 L CA -0.349 54.733 54.840 0.402 0.000 1.045 234 L CB -0.737 41.643 42.059 0.534 0.000 1.351 234 L HN 0.494 nan 8.230 nan 0.000 0.419 235 H N 2.644 121.965 119.070 0.417 0.000 2.671 235 H HA 0.081 4.637 4.556 -0.000 0.000 0.372 235 H C -1.182 174.256 175.328 0.183 0.000 1.227 235 H CA -1.271 54.916 56.048 0.233 0.000 1.426 235 H CB 0.388 30.229 29.762 0.132 0.000 1.480 235 H HN 0.290 nan 8.280 nan 0.000 0.611 236 P HA -0.173 nan 4.420 nan 0.000 0.225 236 P C -0.091 177.079 177.300 -0.216 0.000 1.148 236 P CA 1.491 64.586 63.100 -0.008 0.000 0.779 236 P CB 0.536 32.245 31.700 0.016 0.000 0.780 237 D N -1.681 118.627 120.400 -0.154 0.000 2.490 237 D HA 0.110 4.750 4.640 -0.000 0.000 0.246 237 D C 0.323 176.584 176.300 -0.066 0.000 1.196 237 D CA 0.212 54.090 54.000 -0.204 0.000 0.812 237 D CB 0.974 41.720 40.800 -0.091 0.000 1.191 237 D HN 0.187 nan 8.370 nan 0.000 0.531 238 K N 1.708 122.185 120.400 0.129 0.000 2.637 238 K HA 0.176 4.496 4.320 -0.000 0.000 0.248 238 K C -0.974 175.948 176.600 0.536 0.000 0.971 238 K CA -0.758 55.685 56.287 0.260 0.000 0.858 238 K CB 1.316 33.865 32.500 0.081 0.000 1.170 238 K HN -0.080 nan 8.250 nan 0.000 0.443 239 W N 3.188 124.852 121.300 0.607 0.000 2.381 239 W HA 0.519 5.179 4.660 -0.000 0.000 0.329 239 W C -0.646 176.038 176.519 0.275 0.000 1.157 239 W CA -0.584 56.956 57.345 0.325 0.000 1.240 239 W CB 0.856 30.293 29.460 -0.039 0.000 1.199 239 W HN 0.593 nan 8.180 nan 0.000 0.579 240 T N -0.918 114.013 114.554 0.629 0.000 2.812 240 T HA 0.628 4.978 4.350 -0.000 0.000 0.294 240 T C -1.556 173.501 174.700 0.595 0.000 1.159 240 T CA -0.806 61.599 62.100 0.509 0.000 1.008 240 T CB 1.857 70.928 68.868 0.338 0.000 1.289 240 T HN 0.418 nan 8.240 nan 0.000 0.514 241 V N 1.679 121.880 119.914 0.478 0.000 2.488 241 V HA 0.386 4.506 4.120 -0.000 0.000 0.293 241 V C -0.180 176.063 176.094 0.248 0.000 1.027 241 V CA -0.798 61.731 62.300 0.380 0.000 0.862 241 V CB 1.462 33.532 31.823 0.412 0.000 1.008 241 V HN 0.957 nan 8.190 nan 0.000 0.428 242 Q N 6.326 126.237 119.800 0.184 0.000 2.311 242 Q HA 0.183 4.523 4.340 -0.000 0.000 0.272 242 Q C -1.993 174.073 176.000 0.111 0.000 1.012 242 Q CA -1.290 54.596 55.803 0.138 0.000 0.891 242 Q CB 0.817 29.620 28.738 0.108 0.000 1.201 242 Q HN 0.497 nan 8.270 nan 0.000 0.391 243 P HA -0.125 nan 4.420 nan 0.000 0.259 243 P C -0.587 176.752 177.300 0.066 0.000 1.163 243 P CA 0.785 63.935 63.100 0.084 0.000 0.760 243 P CB 0.392 32.137 31.700 0.076 0.000 0.762 244 I N 4.053 124.659 120.570 0.059 0.000 2.436 244 I HA 0.000 4.170 4.170 -0.000 0.000 0.289 244 I C 1.158 177.303 176.117 0.046 0.000 1.083 244 I CA -0.634 60.693 61.300 0.045 0.000 1.372 244 I CB 0.751 38.774 38.000 0.038 0.000 1.408 244 I HN 0.198 nan 8.210 nan 0.000 0.516 245 V N 5.949 125.889 119.914 0.043 0.000 2.637 245 V HA 0.320 4.440 4.120 -0.000 0.000 0.296 245 V C -0.388 175.738 176.094 0.054 0.000 1.046 245 V CA -0.499 61.828 62.300 0.045 0.000 1.066 245 V CB 1.359 33.206 31.823 0.040 0.000 0.968 245 V HN 0.570 nan 8.190 nan 0.000 0.483 246 L N 7.844 129.103 121.223 0.061 0.000 2.427 246 L HA 0.660 5.000 4.340 -0.000 0.000 0.264 246 L C -1.826 175.102 176.870 0.096 0.000 0.989 246 L CA -1.385 53.509 54.840 0.089 0.000 0.865 246 L CB 1.574 43.686 42.059 0.088 0.000 1.209 246 L HN 0.752 nan 8.230 nan 0.000 0.430 247 P HA 0.242 nan 4.420 nan 0.000 0.275 247 P C -1.188 176.132 177.300 0.032 0.000 1.266 247 P CA -0.284 62.872 63.100 0.093 0.000 0.793 247 P CB 0.965 32.747 31.700 0.137 0.000 1.074 248 E N -0.394 119.687 120.200 -0.197 0.000 2.874 248 E HA 0.133 4.483 4.350 -0.000 0.000 0.320 248 E C -0.271 176.021 176.600 -0.513 0.000 1.141 248 E CA -0.457 55.536 56.400 -0.677 0.000 0.774 248 E CB 1.209 30.596 29.700 -0.521 0.000 1.542 248 E HN 0.353 nan 8.360 nan 0.000 0.380 249 K N 1.209 121.356 120.400 -0.421 0.000 2.143 249 K HA 0.062 4.382 4.320 -0.000 0.000 0.239 249 K C 0.018 176.529 176.600 -0.148 0.000 1.048 249 K CA 0.375 56.601 56.287 -0.102 0.000 0.867 249 K CB 0.652 33.267 32.500 0.192 0.000 1.088 249 K HN 0.152 nan 8.250 nan 0.000 0.510 250 D N -0.324 120.057 120.400 -0.031 0.000 2.107 250 D HA -0.102 4.538 4.640 -0.000 0.000 0.204 250 D C 0.269 176.596 176.300 0.045 0.000 0.978 250 D CA 0.953 54.939 54.000 -0.024 0.000 0.852 250 D CB -0.059 40.739 40.800 -0.004 0.000 1.008 250 D HN 0.306 nan 8.370 nan 0.000 0.458 251 S N 0.220 115.977 115.700 0.095 0.000 3.072 251 S HA 0.016 4.486 4.470 -0.000 0.000 0.306 251 S C -0.760 174.001 174.600 0.267 0.000 1.207 251 S CA -0.565 57.714 58.200 0.131 0.000 1.008 251 S CB -0.758 62.491 63.200 0.082 0.000 1.390 251 S HN 0.286 nan 8.310 nan 0.000 0.523 252 W N 5.110 126.402 121.300 -0.013 0.000 2.081 252 W HA 0.254 4.914 4.660 -0.000 0.000 0.433 252 W C 0.754 177.264 176.519 -0.015 0.000 0.876 252 W CA -0.804 56.535 57.345 -0.011 0.000 1.631 252 W CB -0.265 29.191 29.460 -0.008 0.000 1.757 252 W HN 0.685 nan 8.180 nan 0.000 0.298 253 T N 1.214 115.785 114.554 0.028 0.000 2.898 253 T HA 0.288 4.638 4.350 -0.000 0.000 0.301 253 T C 1.442 176.037 174.700 -0.175 0.000 1.049 253 T CA 0.278 62.339 62.100 -0.065 0.000 1.095 253 T CB 1.002 69.837 68.868 -0.056 0.000 0.976 253 T HN 0.404 nan 8.240 nan 0.000 0.539 254 V N 2.458 122.296 119.914 -0.127 0.000 2.219 254 V HA -0.205 3.915 4.120 -0.000 0.000 0.248 254 V C 2.776 178.780 176.094 -0.150 0.000 1.053 254 V CA 3.677 65.901 62.300 -0.126 0.000 1.009 254 V CB -1.861 29.920 31.823 -0.070 0.000 0.636 254 V HN 1.123 nan 8.190 nan 0.000 0.445 255 N N 0.358 118.994 118.700 -0.107 0.000 2.137 255 N HA -0.250 4.490 4.740 -0.000 0.000 0.190 255 N C 1.933 177.350 175.510 -0.154 0.000 1.017 255 N CA 3.677 56.673 53.050 -0.089 0.000 0.859 255 N CB -1.634 36.829 38.487 -0.040 0.000 1.002 255 N HN 0.973 nan 8.380 nan 0.000 0.428 256 D N -0.131 120.141 120.400 -0.214 0.000 2.116 256 D HA 0.064 4.704 4.640 -0.000 0.000 0.193 256 D C 2.339 178.351 176.300 -0.481 0.000 0.998 256 D CA 3.172 56.974 54.000 -0.330 0.000 0.836 256 D CB -1.199 39.355 40.800 -0.409 0.000 0.951 256 D HN 1.027 nan 8.370 nan 0.000 0.449 257 I N 0.284 120.522 120.570 -0.552 0.000 2.335 257 I HA 0.182 4.352 4.170 -0.000 0.000 0.251 257 I C 2.939 178.899 176.117 -0.263 0.000 1.129 257 I CA 3.057 64.052 61.300 -0.509 0.000 1.402 257 I CB -1.854 35.911 38.000 -0.393 0.000 1.069 257 I HN 0.720 nan 8.210 nan 0.000 0.424 258 Q N 0.376 120.062 119.800 -0.190 0.000 2.020 258 Q HA -0.118 4.222 4.340 -0.000 0.000 0.198 258 Q C 2.634 178.575 176.000 -0.098 0.000 0.974 258 Q CA 2.962 58.700 55.803 -0.109 0.000 0.829 258 Q CB -1.323 27.374 28.738 -0.069 0.000 0.894 258 Q HN 0.990 nan 8.270 nan 0.000 0.433 259 K N 0.267 120.602 120.400 -0.108 0.000 2.103 259 K HA 0.202 4.522 4.320 -0.000 0.000 0.207 259 K C 2.614 179.166 176.600 -0.080 0.000 1.048 259 K CA 2.388 58.626 56.287 -0.082 0.000 0.930 259 K CB -1.918 30.535 32.500 -0.079 0.000 0.716 259 K HN 1.232 nan 8.250 nan 0.000 0.444 260 L N 0.698 121.847 121.223 -0.123 0.000 2.043 260 L HA 0.132 4.472 4.340 -0.000 0.000 0.212 260 L C 3.248 180.095 176.870 -0.038 0.000 1.075 260 L CA 3.132 57.922 54.840 -0.082 0.000 0.752 260 L CB -1.960 40.009 42.059 -0.149 0.000 0.891 260 L HN 0.646 nan 8.230 nan 0.000 0.432 261 V N -0.098 119.783 119.914 -0.056 0.000 2.282 261 V HA -0.122 3.998 4.120 -0.000 0.000 0.249 261 V C 2.848 178.928 176.094 -0.024 0.000 1.057 261 V CA 3.535 65.817 62.300 -0.031 0.000 1.032 261 V CB -1.623 30.177 31.823 -0.038 0.000 0.645 261 V HN 0.673 nan 8.190 nan 0.000 0.447 262 G N -0.110 108.669 108.800 -0.034 0.000 2.545 262 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 262 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 262 G C 1.865 176.750 174.900 -0.024 0.000 1.218 262 G CA 3.161 48.242 45.100 -0.031 0.000 0.787 262 G HN 0.931 nan 8.290 nan 0.000 0.571 263 K N 0.144 120.532 120.400 -0.021 0.000 2.052 263 K HA 0.019 4.339 4.320 -0.000 0.000 0.215 263 K C 3.029 179.627 176.600 -0.004 0.000 1.053 263 K CA 3.272 59.551 56.287 -0.013 0.000 0.934 263 K CB -1.629 30.872 32.500 0.002 0.000 0.717 263 K HN 1.095 nan 8.250 nan 0.000 0.450 264 L N 0.745 121.972 121.223 0.006 0.000 1.956 264 L HA -0.220 4.120 4.340 -0.000 0.000 0.216 264 L C 2.861 179.735 176.870 0.007 0.000 1.073 264 L CA 3.986 58.835 54.840 0.015 0.000 0.762 264 L CB -2.465 39.606 42.059 0.021 0.000 0.889 264 L HN 0.903 nan 8.230 nan 0.000 0.433 265 N N -1.487 117.212 118.700 -0.002 0.000 2.149 265 N HA -0.250 4.490 4.740 -0.000 0.000 0.188 265 N C 2.318 177.819 175.510 -0.014 0.000 1.019 265 N CA 4.075 57.120 53.050 -0.008 0.000 0.857 265 N CB -1.424 37.054 38.487 -0.016 0.000 0.997 265 N HN 1.437 nan 8.380 nan 0.000 0.426 266 W N -0.098 121.188 121.300 -0.023 0.000 2.378 266 W HA 0.389 5.049 4.660 -0.000 0.000 0.313 266 W C 3.049 179.545 176.519 -0.038 0.000 1.197 266 W CA 2.344 59.663 57.345 -0.044 0.000 1.304 266 W CB -1.127 28.296 29.460 -0.062 0.000 1.148 266 W HN 0.737 nan 8.180 nan 0.000 0.494 267 A N 0.844 123.654 122.820 -0.017 0.000 1.940 267 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 267 A C 2.429 180.036 177.584 0.037 0.000 1.176 267 A CA 3.683 55.728 52.037 0.014 0.000 0.631 267 A CB -1.387 17.631 19.000 0.029 0.000 0.814 267 A HN 1.362 nan 8.150 nan 0.000 0.446 268 S N -1.303 114.413 115.700 0.026 0.000 2.413 268 S HA -0.191 4.279 4.470 -0.000 0.000 0.237 268 S C 1.996 176.622 174.600 0.043 0.000 1.044 268 S CA 2.576 60.796 58.200 0.033 0.000 1.024 268 S CB -0.869 62.342 63.200 0.018 0.000 0.829 268 S HN 1.078 nan 8.310 nan 0.000 0.475 269 Q N -0.688 119.133 119.800 0.036 0.000 2.431 269 Q HA 0.620 4.960 4.340 -0.000 0.000 0.210 269 Q C 1.535 177.600 176.000 0.108 0.000 0.958 269 Q CA 1.228 57.059 55.803 0.047 0.000 0.957 269 Q CB -1.365 27.381 28.738 0.014 0.000 1.007 269 Q HN 1.508 nan 8.270 nan 0.000 0.511 270 I N -4.278 116.364 120.570 0.120 0.000 3.859 270 I HA 0.537 4.707 4.170 -0.000 0.000 0.266 270 I C 1.369 177.569 176.117 0.138 0.000 1.132 270 I CA 0.490 61.893 61.300 0.171 0.000 1.361 270 I CB -0.522 37.593 38.000 0.191 0.000 1.690 270 I HN 0.744 nan 8.210 nan 0.000 0.424 271 Y N 1.189 121.555 120.300 0.110 0.000 2.584 271 Y HA 0.613 5.163 4.550 -0.000 0.000 0.351 271 Y C -1.318 174.628 175.900 0.077 0.000 1.030 271 Y CA -2.494 55.660 58.100 0.089 0.000 1.332 271 Y CB -1.400 37.106 38.460 0.076 0.000 1.148 271 Y HN 0.643 nan 8.280 nan 0.000 0.528 272 P HA 0.441 nan 4.420 nan 0.000 0.260 272 P C 0.823 178.159 177.300 0.060 0.000 1.207 272 P CA 0.796 63.943 63.100 0.079 0.000 0.780 272 P CB -0.576 31.176 31.700 0.086 0.000 0.789 273 G N 1.004 109.835 108.800 0.052 0.000 3.295 273 G HA2 0.213 4.173 3.960 -0.000 0.000 0.627 273 G HA3 0.213 4.173 3.960 -0.000 0.000 0.627 273 G C 0.402 175.325 174.900 0.037 0.000 0.847 273 G CA 0.037 45.160 45.100 0.038 0.000 0.907 273 G HN 1.600 nan 8.290 nan 0.000 0.502 274 I N -0.378 120.211 120.570 0.032 0.000 5.001 274 I HA 0.847 5.017 4.170 -0.000 0.000 0.386 274 I C 1.602 177.736 176.117 0.028 0.000 1.130 274 I CA 1.152 62.471 61.300 0.033 0.000 1.476 274 I CB -1.270 36.751 38.000 0.035 0.000 2.107 274 I HN 2.256 nan 8.210 nan 0.000 0.683 275 K N 1.447 121.860 120.400 0.023 0.000 2.325 275 K HA 0.484 4.804 4.320 -0.000 0.000 0.258 275 K C 0.655 177.268 176.600 0.021 0.000 1.250 275 K CA 0.913 57.211 56.287 0.018 0.000 1.260 275 K CB -1.766 30.742 32.500 0.013 0.000 0.785 275 K HN 2.122 nan 8.250 nan 0.000 0.501 276 V N 2.600 122.528 119.914 0.024 0.000 3.102 276 V HA 0.316 4.436 4.120 -0.000 0.000 0.371 276 V C 2.234 178.342 176.094 0.023 0.000 1.414 276 V CA 1.259 63.577 62.300 0.030 0.000 1.565 276 V CB -1.586 30.260 31.823 0.039 0.000 1.273 276 V HN 1.085 nan 8.190 nan 0.000 0.478 277 R N 0.188 120.699 120.500 0.018 0.000 2.119 277 R HA -0.197 4.143 4.340 -0.000 0.000 0.246 277 R C 2.154 178.463 176.300 0.016 0.000 1.146 277 R CA 2.831 58.939 56.100 0.014 0.000 0.962 277 R CB -1.385 28.922 30.300 0.012 0.000 0.863 277 R HN 1.283 nan 8.270 nan 0.000 0.442 278 Q N -0.584 119.229 119.800 0.021 0.000 2.311 278 Q HA 0.488 4.828 4.340 -0.000 0.000 0.203 278 Q C 2.720 178.737 176.000 0.028 0.000 0.954 278 Q CA 1.655 57.472 55.803 0.023 0.000 0.885 278 Q CB -0.836 27.917 28.738 0.025 0.000 0.963 278 Q HN 1.114 nan 8.270 nan 0.000 0.471 279 L N -0.991 120.251 121.223 0.033 0.000 2.179 279 L HA 0.158 4.498 4.340 -0.000 0.000 0.208 279 L C 3.000 179.880 176.870 0.017 0.000 1.096 279 L CA 1.890 56.753 54.840 0.038 0.000 0.779 279 L CB -2.136 39.954 42.059 0.052 0.000 0.922 279 L HN 0.898 nan 8.230 nan 0.000 0.443 280 C N 0.390 119.697 119.300 0.012 0.000 2.410 280 C HA 0.081 4.541 4.460 -0.000 0.000 0.281 280 C C 3.193 178.186 174.990 0.006 0.000 1.318 280 C CA 2.602 61.621 59.018 0.003 0.000 1.776 280 C CB -1.272 26.470 27.740 0.003 0.000 1.942 280 C HN 0.716 nan 8.230 nan 0.000 0.508 281 K N -0.082 120.326 120.400 0.012 0.000 2.209 281 K HA 0.234 4.554 4.320 -0.000 0.000 0.204 281 K C 2.218 178.826 176.600 0.014 0.000 1.048 281 K CA 2.198 58.493 56.287 0.014 0.000 0.940 281 K CB -1.784 30.726 32.500 0.017 0.000 0.729 281 K HN 1.453 nan 8.250 nan 0.000 0.451 282 L N -0.106 121.125 121.223 0.013 0.000 2.275 282 L HA 0.438 4.778 4.340 -0.000 0.000 0.215 282 L C 3.077 179.949 176.870 0.003 0.000 1.119 282 L CA 2.259 57.105 54.840 0.011 0.000 0.790 282 L CB -1.682 40.385 42.059 0.013 0.000 0.919 282 L HN 0.722 nan 8.230 nan 0.000 0.443 283 L N -1.316 119.907 121.223 -0.001 0.000 2.558 283 L HA 0.502 4.842 4.340 -0.000 0.000 0.225 283 L C 2.796 179.672 176.870 0.010 0.000 1.128 283 L CA 1.433 56.273 54.840 -0.001 0.000 0.868 283 L CB -1.964 40.090 42.059 -0.009 0.000 1.006 283 L HN 0.754 nan 8.230 nan 0.000 0.454 284 R N 0.567 121.074 120.500 0.012 0.000 2.319 284 R HA 0.485 4.825 4.340 -0.000 0.000 0.204 284 R C 1.267 177.579 176.300 0.020 0.000 0.954 284 R CA 0.676 56.786 56.100 0.017 0.000 1.066 284 R CB -0.749 29.560 30.300 0.015 0.000 0.991 284 R HN 1.231 nan 8.270 nan 0.000 0.486 285 G N -0.292 108.520 108.800 0.020 0.000 4.412 285 G HA2 0.474 4.434 3.960 -0.000 0.000 0.262 285 G HA3 0.474 4.434 3.960 -0.000 0.000 0.262 285 G C 0.265 175.179 174.900 0.024 0.000 1.142 285 G CA 0.429 45.543 45.100 0.023 0.000 0.783 285 G HN 0.707 nan 8.290 nan 0.000 0.533 286 T N -0.550 114.023 114.554 0.032 0.000 2.860 286 T HA 0.773 5.123 4.350 -0.000 0.000 0.299 286 T C 0.433 175.162 174.700 0.048 0.000 1.045 286 T CA 1.045 63.168 62.100 0.038 0.000 1.071 286 T CB 0.637 69.535 68.868 0.051 0.000 0.985 286 T HN 1.077 nan 8.240 nan 0.000 0.537 287 K N -0.275 120.155 120.400 0.049 0.000 2.308 287 K HA 0.950 5.270 4.320 -0.000 0.000 0.268 287 K C 0.155 176.802 176.600 0.079 0.000 0.992 287 K CA -0.046 56.277 56.287 0.059 0.000 0.836 287 K CB 0.166 32.678 32.500 0.020 0.000 1.507 287 K HN 1.946 nan 8.250 nan 0.000 0.394 288 A N -0.136 122.732 122.820 0.080 0.000 2.603 288 A HA 0.450 4.770 4.320 -0.000 0.000 0.235 288 A C 1.879 179.456 177.584 -0.012 0.000 1.035 288 A CA 0.826 52.920 52.037 0.094 0.000 0.755 288 A CB -1.066 17.929 19.000 -0.009 0.000 0.954 288 A HN 2.112 nan 8.150 nan 0.000 0.511 289 L N 1.973 123.194 121.223 -0.004 0.000 2.201 289 L HA 0.139 4.479 4.340 -0.000 0.000 0.212 289 L C 2.628 179.378 176.870 -0.199 0.000 1.105 289 L CA 3.111 57.925 54.840 -0.042 0.000 0.775 289 L CB -2.330 39.800 42.059 0.118 0.000 0.913 289 L HN 1.210 nan 8.230 nan 0.000 0.440 290 T N -1.206 113.096 114.554 -0.421 0.000 3.088 290 T HA 0.428 4.778 4.350 -0.000 0.000 0.259 290 T C 1.068 175.643 174.700 -0.208 0.000 1.122 290 T CA 0.999 62.871 62.100 -0.380 0.000 1.095 290 T CB -0.595 67.918 68.868 -0.591 0.000 0.930 290 T HN 0.964 nan 8.240 nan 0.000 0.508 291 E N 0.221 120.322 120.200 -0.166 0.000 2.366 291 E HA 0.698 5.048 4.350 -0.000 0.000 0.266 291 E C -0.044 176.517 176.600 -0.065 0.000 1.051 291 E CA -0.112 56.225 56.400 -0.105 0.000 0.884 291 E CB 0.224 29.869 29.700 -0.093 0.000 1.006 291 E HN 1.011 nan 8.360 nan 0.000 0.417 292 V N -0.612 119.282 119.914 -0.033 0.000 2.481 292 V HA 0.810 4.930 4.120 -0.000 0.000 0.286 292 V C 0.362 176.467 176.094 0.019 0.000 1.042 292 V CA 0.079 62.384 62.300 0.008 0.000 0.928 292 V CB 0.867 32.712 31.823 0.035 0.000 0.986 292 V HN 1.737 nan 8.190 nan 0.000 0.462 293 I N 3.278 123.873 120.570 0.042 0.000 2.622 293 I HA 0.849 5.019 4.170 -0.000 0.000 0.283 293 I C -1.375 174.795 176.117 0.089 0.000 1.202 293 I CA -0.683 60.644 61.300 0.044 0.000 1.075 293 I CB 0.439 38.448 38.000 0.014 0.000 1.274 293 I HN 1.118 nan 8.210 nan 0.000 0.450 294 P HA 1.120 nan 4.420 nan 0.000 0.284 294 P C -0.439 176.920 177.300 0.098 0.000 1.292 294 P CA 0.471 63.661 63.100 0.149 0.000 0.800 294 P CB 1.511 33.278 31.700 0.112 0.000 1.188 295 L N -2.178 119.104 121.223 0.097 0.000 2.479 295 L HA 0.962 5.302 4.340 -0.000 0.000 0.255 295 L C 0.944 177.845 176.870 0.051 0.000 1.026 295 L CA -0.081 54.798 54.840 0.067 0.000 0.842 295 L CB 0.512 42.614 42.059 0.071 0.000 1.444 295 L HN 1.121 nan 8.230 nan 0.000 0.409 296 T N -0.804 113.773 114.554 0.037 0.000 2.732 296 T HA 0.486 4.836 4.350 -0.000 0.000 0.365 296 T C 1.566 176.282 174.700 0.026 0.000 1.077 296 T CA 1.949 64.064 62.100 0.026 0.000 1.044 296 T CB -0.446 68.434 68.868 0.021 0.000 1.220 296 T HN 2.137 nan 8.240 nan 0.000 0.517 297 E N -0.215 119.996 120.200 0.018 0.000 2.233 297 E HA -0.036 4.314 4.350 -0.000 0.000 0.199 297 E C 2.279 178.893 176.600 0.023 0.000 1.004 297 E CA 2.666 59.076 56.400 0.016 0.000 0.819 297 E CB -1.923 27.785 29.700 0.012 0.000 0.738 297 E HN 0.972 nan 8.360 nan 0.000 0.478 298 E N 0.339 120.555 120.200 0.026 0.000 2.021 298 E HA 0.020 4.370 4.350 -0.000 0.000 0.200 298 E C 2.623 179.248 176.600 0.043 0.000 1.015 298 E CA 2.587 59.006 56.400 0.031 0.000 0.824 298 E CB -1.220 28.499 29.700 0.031 0.000 0.762 298 E HN 1.069 nan 8.360 nan 0.000 0.454 299 A N 1.018 123.870 122.820 0.054 0.000 1.834 299 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 299 A C 2.245 179.873 177.584 0.073 0.000 1.203 299 A CA 2.140 54.227 52.037 0.083 0.000 0.621 299 A CB -0.727 18.337 19.000 0.108 0.000 0.841 299 A HN 0.613 nan 8.150 nan 0.000 0.446 300 E N -0.203 120.024 120.200 0.045 0.000 2.068 300 E HA -0.251 4.099 4.350 -0.000 0.000 0.207 300 E C 2.009 178.619 176.600 0.016 0.000 1.032 300 E CA 1.674 58.083 56.400 0.014 0.000 0.839 300 E CB -0.472 29.225 29.700 -0.004 0.000 0.758 300 E HN 0.622 nan 8.360 nan 0.000 0.457 301 L N 0.785 122.020 121.223 0.020 0.000 2.093 301 L HA -0.174 4.166 4.340 -0.000 0.000 0.208 301 L C 2.397 179.284 176.870 0.028 0.000 1.085 301 L CA 1.061 55.912 54.840 0.019 0.000 0.755 301 L CB -0.474 41.594 42.059 0.016 0.000 0.904 301 L HN 0.154 nan 8.230 nan 0.000 0.435 302 E N 0.490 120.714 120.200 0.038 0.000 2.070 302 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 302 E C 2.338 178.968 176.600 0.051 0.000 1.004 302 E CA 1.262 57.688 56.400 0.045 0.000 0.805 302 E CB -0.237 29.494 29.700 0.052 0.000 0.744 302 E HN 0.451 nan 8.360 nan 0.000 0.451 303 L N 0.621 121.883 121.223 0.065 0.000 2.043 303 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 303 L C 2.637 179.535 176.870 0.046 0.000 1.075 303 L CA 1.108 55.991 54.840 0.071 0.000 0.752 303 L CB -0.685 41.426 42.059 0.086 0.000 0.891 303 L HN 0.174 nan 8.230 nan 0.000 0.432 304 A N 0.335 123.173 122.820 0.029 0.000 1.851 304 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 304 A C 2.143 179.742 177.584 0.025 0.000 1.195 304 A CA 1.891 53.940 52.037 0.020 0.000 0.622 304 A CB -0.630 18.377 19.000 0.011 0.000 0.831 304 A HN 0.470 nan 8.150 nan 0.000 0.444 305 E N -0.039 120.176 120.200 0.026 0.000 2.130 305 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 305 E C 1.837 178.456 176.600 0.032 0.000 0.998 305 E CA 1.311 57.727 56.400 0.027 0.000 0.806 305 E CB -0.298 29.417 29.700 0.026 0.000 0.738 305 E HN 0.595 nan 8.360 nan 0.000 0.459 306 N N 0.852 119.574 118.700 0.037 0.000 2.084 306 N HA -0.121 4.619 4.740 -0.000 0.000 0.190 306 N C 1.665 177.201 175.510 0.042 0.000 1.030 306 N CA 1.031 54.106 53.050 0.042 0.000 0.849 306 N CB -0.290 38.226 38.487 0.049 0.000 1.012 306 N HN 0.126 nan 8.380 nan 0.000 0.423 307 R N 1.134 121.658 120.500 0.040 0.000 2.097 307 R HA -0.127 4.213 4.340 -0.000 0.000 0.236 307 R C 2.026 178.347 176.300 0.035 0.000 1.135 307 R CA 1.558 57.680 56.100 0.037 0.000 0.934 307 R CB -0.426 29.892 30.300 0.030 0.000 0.846 307 R HN 0.443 nan 8.270 nan 0.000 0.431 308 E N 0.470 120.688 120.200 0.030 0.000 2.108 308 E HA -0.267 4.083 4.350 -0.000 0.000 0.203 308 E C 2.055 178.675 176.600 0.034 0.000 1.022 308 E CA 1.843 58.260 56.400 0.029 0.000 0.823 308 E CB -0.344 29.372 29.700 0.026 0.000 0.744 308 E HN 0.405 nan 8.360 nan 0.000 0.456 309 I N 0.755 121.347 120.570 0.037 0.000 2.202 309 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 309 I C 2.423 178.569 176.117 0.048 0.000 1.091 309 I CA 0.918 62.244 61.300 0.043 0.000 1.368 309 I CB -0.300 37.727 38.000 0.045 0.000 1.058 309 I HN 0.095 nan 8.210 nan 0.000 0.410 310 L N 0.688 121.941 121.223 0.049 0.000 2.261 310 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 310 L C 2.513 179.415 176.870 0.054 0.000 1.114 310 L CA 1.244 56.116 54.840 0.054 0.000 0.777 310 L CB -0.563 41.526 42.059 0.051 0.000 0.910 310 L HN 0.247 nan 8.230 nan 0.000 0.440 311 K N 0.378 120.807 120.400 0.047 0.000 1.973 311 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 311 K C 0.976 177.607 176.600 0.053 0.000 1.047 311 K CA 0.930 57.245 56.287 0.046 0.000 0.937 311 K CB -0.179 32.344 32.500 0.037 0.000 0.721 311 K HN 0.200 nan 8.250 nan 0.000 0.440 312 E N 2.916 123.146 120.200 0.050 0.000 2.265 312 E HA 0.029 4.379 4.350 -0.000 0.000 0.272 312 E C -2.119 174.521 176.600 0.066 0.000 1.067 312 E CA -1.866 54.565 56.400 0.053 0.000 0.900 312 E CB 0.563 30.287 29.700 0.040 0.000 1.017 312 E HN 0.043 nan 8.360 nan 0.000 0.431 313 P HA -0.029 nan 4.420 nan 0.000 0.274 313 P C -0.557 176.797 177.300 0.090 0.000 1.264 313 P CA -0.200 62.971 63.100 0.119 0.000 0.795 313 P CB 0.732 32.525 31.700 0.155 0.000 1.064 314 V N -4.063 115.929 119.914 0.130 0.000 3.181 314 V HA 0.816 4.936 4.120 -0.000 0.000 0.308 314 V C -0.853 175.248 176.094 0.012 0.000 1.214 314 V CA -0.724 61.581 62.300 0.008 0.000 1.053 314 V CB 2.028 33.944 31.823 0.156 0.000 1.069 314 V HN 1.109 nan 8.190 nan 0.000 0.441 315 H N -0.282 118.660 119.070 -0.214 0.000 2.901 315 H HA 0.729 5.285 4.556 -0.000 0.000 0.267 315 H C -0.567 174.136 175.328 -1.042 0.000 1.434 315 H CA -0.329 55.224 56.048 -0.825 0.000 1.215 315 H CB 1.063 30.589 29.762 -0.393 0.000 1.825 315 H HN 1.678 nan 8.280 nan 0.000 0.470 316 G N -0.123 107.818 108.800 -1.431 0.000 2.554 316 G HA2 0.481 4.441 3.960 -0.000 0.000 0.306 316 G HA3 0.481 4.441 3.960 -0.000 0.000 0.306 316 G C -1.201 173.441 174.900 -0.431 0.000 1.320 316 G CA -0.173 44.536 45.100 -0.651 0.000 0.800 316 G HN 0.515 nan 8.290 nan 0.000 0.481 317 V N -0.368 119.579 119.914 0.055 0.000 3.234 317 V HA 0.565 4.685 4.120 -0.000 0.000 0.317 317 V C -0.119 176.356 176.094 0.635 0.000 1.081 317 V CA -0.833 61.626 62.300 0.264 0.000 1.037 317 V CB 1.065 32.994 31.823 0.176 0.000 1.148 317 V HN 0.572 nan 8.190 nan 0.000 0.453 318 Y N -0.373 120.110 120.300 0.306 0.000 2.356 318 Y HA 0.437 4.987 4.550 -0.000 0.000 0.341 318 Y C -0.085 176.012 175.900 0.328 0.000 1.343 318 Y CA -1.300 57.031 58.100 0.385 0.000 1.570 318 Y CB 0.167 38.822 38.460 0.325 0.000 1.558 318 Y HN 0.592 nan 8.280 nan 0.000 0.557 319 Y N 0.741 121.281 120.300 0.400 0.000 2.387 319 Y HA 0.382 4.932 4.550 -0.000 0.000 0.336 319 Y C -0.938 175.055 175.900 0.156 0.000 1.067 319 Y CA -1.301 56.929 58.100 0.216 0.000 1.114 319 Y CB 1.235 39.870 38.460 0.292 0.000 1.208 319 Y HN 0.537 nan 8.280 nan 0.000 0.458 320 D N 7.305 127.408 120.400 -0.495 0.000 2.381 320 D HA 0.307 4.947 4.640 -0.000 0.000 0.235 320 D C -2.390 173.490 176.300 -0.700 0.000 1.068 320 D CA -2.714 51.054 54.000 -0.386 0.000 0.832 320 D CB 1.872 42.521 40.800 -0.251 0.000 1.101 320 D HN 0.370 nan 8.370 nan 0.000 0.515 321 P HA 0.044 nan 4.420 nan 0.000 0.259 321 P C 0.045 177.351 177.300 0.010 0.000 1.480 321 P CA 0.198 63.372 63.100 0.123 0.000 0.842 321 P CB -0.089 31.799 31.700 0.313 0.000 1.513 322 S N -2.603 113.033 115.700 -0.106 0.000 2.733 322 S HA 0.232 4.702 4.470 -0.000 0.000 0.270 322 S C 0.405 174.947 174.600 -0.096 0.000 1.062 322 S CA -0.410 57.753 58.200 -0.062 0.000 1.256 322 S CB 0.142 63.322 63.200 -0.033 0.000 1.187 322 S HN -0.001 nan 8.310 nan 0.000 0.666 323 K N 1.984 122.277 120.400 -0.178 0.000 2.207 323 K HA 0.472 4.792 4.320 -0.000 0.000 0.255 323 K C -1.249 175.244 176.600 -0.179 0.000 0.941 323 K CA -0.787 55.404 56.287 -0.160 0.000 0.825 323 K CB 0.967 33.368 32.500 -0.165 0.000 1.119 323 K HN 0.137 nan 8.250 nan 0.000 0.430 324 D N 1.772 122.107 120.400 -0.108 0.000 2.400 324 D HA 0.040 4.680 4.640 -0.000 0.000 0.238 324 D C -0.081 176.153 176.300 -0.109 0.000 1.157 324 D CA 0.282 54.233 54.000 -0.082 0.000 0.889 324 D CB 0.714 41.490 40.800 -0.041 0.000 1.199 324 D HN 0.200 nan 8.370 nan 0.000 0.436 325 L N 1.764 122.925 121.223 -0.104 0.000 2.307 325 L HA 0.435 4.775 4.340 -0.000 0.000 0.282 325 L C -0.005 176.768 176.870 -0.162 0.000 1.051 325 L CA -0.361 54.381 54.840 -0.163 0.000 0.804 325 L CB 0.880 42.843 42.059 -0.160 0.000 1.197 325 L HN 0.156 nan 8.230 nan 0.000 0.431 326 I N 2.928 123.374 120.570 -0.207 0.000 2.534 326 I HA 0.545 4.715 4.170 -0.000 0.000 0.288 326 I C -0.397 175.374 176.117 -0.576 0.000 1.077 326 I CA -0.460 60.669 61.300 -0.286 0.000 1.051 326 I CB 2.041 40.075 38.000 0.057 0.000 1.234 326 I HN 0.608 nan 8.210 nan 0.000 0.425 327 A N 5.224 127.704 122.820 -0.567 0.000 2.324 327 A HA 0.765 5.085 4.320 -0.000 0.000 0.330 327 A C -0.720 176.674 177.584 -0.316 0.000 1.165 327 A CA -0.427 51.310 52.037 -0.500 0.000 0.813 327 A CB 1.463 20.036 19.000 -0.712 0.000 1.197 327 A HN 0.763 nan 8.150 nan 0.000 0.484 328 E N 2.108 122.200 120.200 -0.179 0.000 2.260 328 E HA 0.570 4.920 4.350 -0.000 0.000 0.266 328 E C -1.503 175.163 176.600 0.110 0.000 0.887 328 E CA -0.344 56.039 56.400 -0.027 0.000 0.777 328 E CB 1.171 30.801 29.700 -0.117 0.000 1.205 328 E HN 0.644 nan 8.360 nan 0.000 0.414 329 I N 2.773 123.462 120.570 0.199 0.000 2.648 329 I HA 0.413 4.583 4.170 -0.000 0.000 0.304 329 I C -0.684 175.563 176.117 0.217 0.000 1.009 329 I CA -0.920 60.539 61.300 0.265 0.000 1.114 329 I CB 1.894 40.074 38.000 0.300 0.000 1.293 329 I HN 0.455 nan 8.210 nan 0.000 0.449 330 Q N 2.845 122.762 119.800 0.196 0.000 2.309 330 Q HA 0.270 4.610 4.340 -0.000 0.000 0.273 330 Q C -0.820 175.115 176.000 -0.109 0.000 1.040 330 Q CA -0.819 55.017 55.803 0.054 0.000 0.834 330 Q CB 2.174 30.929 28.738 0.029 0.000 1.345 330 Q HN 0.361 nan 8.270 nan 0.000 0.414 331 K N 1.838 122.011 120.400 -0.379 0.000 2.278 331 K HA 0.025 4.345 4.320 -0.000 0.000 0.237 331 K C -0.050 176.257 176.600 -0.489 0.000 1.229 331 K CA 0.141 55.904 56.287 -0.874 0.000 1.155 331 K CB 0.269 32.142 32.500 -1.045 0.000 1.590 331 K HN 0.646 nan 8.250 nan 0.000 0.290 332 Q N 1.993 121.608 119.800 -0.309 0.000 2.294 332 Q HA 0.046 4.386 4.340 -0.000 0.000 0.222 332 Q C -0.153 175.755 176.000 -0.153 0.000 0.903 332 Q CA 0.148 55.855 55.803 -0.160 0.000 0.966 332 Q CB -0.016 28.686 28.738 -0.059 0.000 1.091 332 Q HN 0.877 nan 8.270 nan 0.000 0.438 333 G N -0.343 108.318 108.800 -0.232 0.000 2.346 333 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.294 333 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.294 333 G C -1.701 173.112 174.900 -0.144 0.000 1.294 333 G CA -1.032 43.983 45.100 -0.142 0.000 0.962 333 G HN 0.129 nan 8.290 nan 0.000 0.508 334 Q N 0.460 120.232 119.800 -0.046 0.000 2.293 334 Q HA 0.457 4.797 4.340 -0.000 0.000 0.263 334 Q C 1.345 177.380 176.000 0.059 0.000 1.002 334 Q CA 0.825 56.634 55.803 0.009 0.000 0.910 334 Q CB 0.766 29.518 28.738 0.024 0.000 1.185 334 Q HN 2.330 nan 8.270 nan 0.000 0.401 335 G N 3.237 112.133 108.800 0.161 0.000 2.186 335 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.266 335 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.266 335 G C 0.030 175.078 174.900 0.246 0.000 0.982 335 G CA 0.557 45.787 45.100 0.218 0.000 0.670 335 G HN 0.558 nan 8.290 nan 0.000 0.533 336 Q N -1.506 118.449 119.800 0.259 0.000 2.323 336 Q HA 0.605 4.945 4.340 -0.000 0.000 0.271 336 Q C -0.982 175.178 176.000 0.267 0.000 1.048 336 Q CA -0.874 55.082 55.803 0.255 0.000 0.792 336 Q CB 1.649 30.445 28.738 0.095 0.000 1.280 336 Q HN 0.293 nan 8.270 nan 0.000 0.441 337 W N 0.653 122.021 121.300 0.114 0.000 2.929 337 W HA 0.651 5.311 4.660 -0.000 0.000 0.345 337 W C -0.175 176.470 176.519 0.211 0.000 1.151 337 W CA -0.486 56.961 57.345 0.170 0.000 1.111 337 W CB 1.515 31.125 29.460 0.251 0.000 1.449 337 W HN 0.548 nan 8.180 nan 0.000 0.572 338 T N -0.906 113.886 114.554 0.396 0.000 2.896 338 T HA 0.822 5.172 4.350 -0.000 0.000 0.297 338 T C -1.419 173.512 174.700 0.384 0.000 1.108 338 T CA -0.779 61.517 62.100 0.325 0.000 1.004 338 T CB 2.272 71.225 68.868 0.143 0.000 1.159 338 T HN 0.610 nan 8.240 nan 0.000 0.499 339 Y N -1.130 119.233 120.300 0.106 0.000 2.624 339 Y HA 0.797 5.347 4.550 -0.000 0.000 0.334 339 Y C -1.943 173.960 175.900 0.005 0.000 1.155 339 Y CA -1.373 56.761 58.100 0.056 0.000 1.046 339 Y CB 1.186 39.684 38.460 0.063 0.000 1.316 339 Y HN 0.703 nan 8.280 nan 0.000 0.457 340 Q N 2.818 122.549 119.800 -0.115 0.000 2.345 340 Q HA 0.658 4.998 4.340 -0.000 0.000 0.275 340 Q C -1.282 174.563 176.000 -0.258 0.000 1.063 340 Q CA -0.713 54.937 55.803 -0.255 0.000 0.819 340 Q CB 3.216 31.840 28.738 -0.190 0.000 1.356 340 Q HN 0.831 nan 8.270 nan 0.000 0.418 341 I N -0.338 120.114 120.570 -0.196 0.000 2.382 341 I HA 0.773 4.943 4.170 -0.000 0.000 0.286 341 I C -1.112 174.871 176.117 -0.224 0.000 1.002 341 I CA -1.048 60.109 61.300 -0.238 0.000 1.135 341 I CB 0.480 38.471 38.000 -0.015 0.000 1.288 341 I HN 0.556 nan 8.210 nan 0.000 0.448 342 Y N 3.699 123.915 120.300 -0.140 0.000 2.665 342 Y HA 0.612 5.162 4.550 -0.000 0.000 0.336 342 Y C -0.092 175.693 175.900 -0.191 0.000 1.085 342 Y CA -1.736 56.275 58.100 -0.148 0.000 1.096 342 Y CB 1.098 39.482 38.460 -0.127 0.000 1.301 342 Y HN 0.612 nan 8.280 nan 0.000 0.493 343 Q N -0.752 119.152 119.800 0.174 0.000 2.313 343 Q HA 0.260 4.600 4.340 -0.000 0.000 0.263 343 Q C -0.899 175.048 176.000 -0.088 0.000 0.820 343 Q CA 0.141 55.950 55.803 0.009 0.000 0.974 343 Q CB 1.421 30.078 28.738 -0.135 0.000 1.156 343 Q HN 0.615 nan 8.270 nan 0.000 0.517 344 E N 1.213 121.328 120.200 -0.142 0.000 2.244 344 E HA 0.173 4.523 4.350 -0.000 0.000 0.260 344 E C -2.140 174.252 176.600 -0.346 0.000 0.884 344 E CA -1.792 54.483 56.400 -0.209 0.000 0.777 344 E CB 1.841 31.486 29.700 -0.092 0.000 1.197 344 E HN -0.092 nan 8.360 nan 0.000 0.416 345 P HA -0.280 nan 4.420 nan 0.000 0.225 345 P C 0.813 177.666 177.300 -0.744 0.000 0.859 345 P CA 2.043 64.701 63.100 -0.735 0.000 1.075 345 P CB -0.168 31.305 31.700 -0.378 0.000 0.699 346 F N -1.463 118.387 119.950 -0.167 0.000 2.727 346 F HA 0.197 4.724 4.527 -0.000 0.000 0.302 346 F C 1.274 177.054 175.800 -0.034 0.000 1.097 346 F CA 0.273 58.229 58.000 -0.074 0.000 1.330 346 F CB -0.082 38.884 39.000 -0.056 0.000 1.084 346 F HN -0.244 nan 8.300 nan 0.000 0.578 347 K N 2.246 122.683 120.400 0.061 0.000 2.459 347 K HA 0.222 4.542 4.320 -0.000 0.000 0.218 347 K C -0.645 175.999 176.600 0.074 0.000 1.067 347 K CA -0.242 56.081 56.287 0.061 0.000 1.045 347 K CB -0.078 32.446 32.500 0.039 0.000 1.623 347 K HN 0.181 nan 8.250 nan 0.000 0.509 348 N N 0.915 119.679 118.700 0.106 0.000 2.495 348 N HA 0.241 4.981 4.740 -0.000 0.000 0.280 348 N C 0.772 176.360 175.510 0.130 0.000 1.168 348 N CA -0.587 52.548 53.050 0.142 0.000 0.978 348 N CB 1.051 39.619 38.487 0.135 0.000 1.191 348 N HN 0.095 nan 8.380 nan 0.000 0.497 349 L N -1.085 120.229 121.223 0.152 0.000 2.187 349 L HA 0.260 4.600 4.340 -0.000 0.000 0.197 349 L C 0.998 178.135 176.870 0.446 0.000 1.090 349 L CA 0.658 55.697 54.840 0.333 0.000 0.781 349 L CB -0.223 41.968 42.059 0.219 0.000 0.956 349 L HN 0.571 nan 8.230 nan 0.000 0.463 350 K N 0.333 120.907 120.400 0.290 0.000 2.378 350 K HA 0.354 4.674 4.320 -0.000 0.000 0.252 350 K C -0.832 175.748 176.600 -0.033 0.000 0.931 350 K CA -0.450 55.964 56.287 0.213 0.000 0.794 350 K CB 1.922 34.519 32.500 0.161 0.000 1.181 350 K HN 0.125 nan 8.250 nan 0.000 0.425 351 T N -0.566 113.924 114.554 -0.105 0.000 2.938 351 T HA 0.898 5.248 4.350 -0.000 0.000 0.285 351 T C 0.126 174.528 174.700 -0.496 0.000 1.028 351 T CA -0.815 61.100 62.100 -0.309 0.000 1.005 351 T CB 1.814 70.583 68.868 -0.166 0.000 1.157 351 T HN 0.672 nan 8.240 nan 0.000 0.550 352 G N -0.097 108.251 108.800 -0.753 0.000 2.579 352 G HA2 0.513 4.473 3.960 -0.000 0.000 0.292 352 G HA3 0.513 4.473 3.960 -0.000 0.000 0.292 352 G C -1.926 172.951 174.900 -0.038 0.000 1.484 352 G CA -0.999 43.810 45.100 -0.485 0.000 0.813 352 G HN 0.836 nan 8.290 nan 0.000 0.515 353 K N -0.729 119.824 120.400 0.256 0.000 2.267 353 K HA 0.715 5.035 4.320 -0.000 0.000 0.246 353 K C -1.792 175.070 176.600 0.438 0.000 0.954 353 K CA -1.092 55.383 56.287 0.313 0.000 0.824 353 K CB 2.021 34.626 32.500 0.174 0.000 1.167 353 K HN 0.616 nan 8.250 nan 0.000 0.431 354 Y N 2.005 122.461 120.300 0.261 0.000 2.484 354 Y HA 0.460 5.010 4.550 -0.000 0.000 0.348 354 Y C -1.610 174.384 175.900 0.156 0.000 1.103 354 Y CA -0.544 57.653 58.100 0.161 0.000 1.317 354 Y CB 0.816 39.320 38.460 0.074 0.000 1.096 354 Y HN 0.637 nan 8.280 nan 0.000 0.568 355 A N 5.826 128.514 122.820 -0.220 0.000 2.328 355 A HA 0.892 5.212 4.320 -0.000 0.000 0.284 355 A C -0.287 177.004 177.584 -0.487 0.000 1.160 355 A CA -0.387 51.515 52.037 -0.225 0.000 0.818 355 A CB 0.689 19.647 19.000 -0.070 0.000 1.087 355 A HN 0.887 nan 8.150 nan 0.000 0.504 356 R N 1.623 121.844 120.500 -0.466 0.000 2.774 356 R HA 0.522 4.862 4.340 -0.000 0.000 0.279 356 R C -2.081 174.091 176.300 -0.213 0.000 1.022 356 R CA -0.650 55.202 56.100 -0.413 0.000 0.855 356 R CB 1.051 30.919 30.300 -0.720 0.000 1.279 356 R HN 0.715 nan 8.270 nan 0.000 0.485 357 M N 2.992 122.521 119.600 -0.119 0.000 2.659 357 M HA 0.173 4.653 4.480 -0.000 0.000 0.164 357 M C -1.750 174.536 176.300 -0.022 0.000 0.989 357 M CA -0.112 55.160 55.300 -0.048 0.000 0.803 357 M CB 0.830 33.417 32.600 -0.021 0.000 3.145 357 M HN 0.750 nan 8.290 nan 0.000 0.350 358 R N 1.669 122.160 120.500 -0.014 0.000 2.893 358 R HA 0.565 4.905 4.340 -0.000 0.000 0.243 358 R C 0.123 176.451 176.300 0.047 0.000 1.481 358 R CA 0.962 57.072 56.100 0.015 0.000 1.250 358 R CB -0.093 30.219 30.300 0.020 0.000 1.213 358 R HN 0.854 nan 8.270 nan 0.000 0.609 359 G N 0.123 108.959 108.800 0.060 0.000 2.350 359 G HA2 0.171 4.131 3.960 -0.000 0.000 0.305 359 G HA3 0.171 4.131 3.960 -0.000 0.000 0.305 359 G C -0.399 174.566 174.900 0.108 0.000 1.479 359 G CA -0.278 44.886 45.100 0.106 0.000 0.949 359 G HN 0.337 nan 8.290 nan 0.000 0.651 360 A N -0.570 122.359 122.820 0.182 0.000 2.132 360 A HA 0.497 4.817 4.320 -0.000 0.000 0.213 360 A C 0.711 178.286 177.584 -0.016 0.000 1.154 360 A CA 1.446 53.554 52.037 0.119 0.000 0.753 360 A CB -0.085 19.043 19.000 0.213 0.000 0.826 360 A HN 0.923 nan 8.150 nan 0.000 0.469 361 H N -0.528 118.577 119.070 0.058 0.000 3.108 361 H HA 0.471 5.027 4.556 -0.000 0.000 0.329 361 H C -0.014 175.354 175.328 0.067 0.000 0.978 361 H CA -0.212 55.873 56.048 0.061 0.000 1.413 361 H CB 1.172 30.975 29.762 0.067 0.000 1.670 361 H HN 0.239 nan 8.280 nan 0.000 0.512 362 T N -0.365 114.272 114.554 0.139 0.000 2.768 362 T HA 0.539 4.889 4.350 -0.000 0.000 0.268 362 T C -0.157 174.553 174.700 0.017 0.000 0.969 362 T CA -0.994 61.147 62.100 0.069 0.000 1.008 362 T CB 1.860 70.740 68.868 0.020 0.000 1.371 362 T HN 0.445 nan 8.240 nan 0.000 0.587 363 N N -0.990 117.653 118.700 -0.095 0.000 2.329 363 N HA 0.309 5.049 4.740 -0.000 0.000 0.282 363 N C -0.251 175.130 175.510 -0.215 0.000 1.198 363 N CA -0.636 52.289 53.050 -0.208 0.000 0.790 363 N CB 1.952 40.159 38.487 -0.466 0.000 1.579 363 N HN 0.517 nan 8.380 nan 0.000 0.475 364 D N 1.020 121.306 120.400 -0.190 0.000 2.117 364 D HA -0.080 4.560 4.640 -0.000 0.000 0.197 364 D C 1.709 177.912 176.300 -0.161 0.000 0.987 364 D CA 1.137 55.123 54.000 -0.023 0.000 0.829 364 D CB -0.020 40.754 40.800 -0.043 0.000 0.961 364 D HN 0.339 nan 8.370 nan 0.000 0.460 365 V N 1.015 120.682 119.914 -0.411 0.000 2.282 365 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 365 V C 2.465 178.262 176.094 -0.494 0.000 1.057 365 V CA 1.774 63.756 62.300 -0.529 0.000 1.032 365 V CB -0.399 30.792 31.823 -1.052 0.000 0.645 365 V HN 0.172 nan 8.190 nan 0.000 0.447 366 K N -0.440 119.600 120.400 -0.600 0.000 2.002 366 K HA -0.227 4.093 4.320 -0.000 0.000 0.209 366 K C 2.312 178.743 176.600 -0.282 0.000 1.048 366 K CA 1.795 57.865 56.287 -0.362 0.000 0.930 366 K CB -0.173 32.138 32.500 -0.315 0.000 0.714 366 K HN 0.529 nan 8.250 nan 0.000 0.438 367 Q N 0.371 119.981 119.800 -0.318 0.000 2.124 367 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 367 Q C 2.137 177.664 176.000 -0.789 0.000 0.977 367 Q CA 1.221 56.761 55.803 -0.439 0.000 0.850 367 Q CB -0.152 28.337 28.738 -0.416 0.000 0.901 367 Q HN 0.248 nan 8.270 nan 0.000 0.429 368 L N 0.639 121.353 121.223 -0.848 0.000 1.989 368 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 368 L C 2.109 178.606 176.870 -0.621 0.000 1.071 368 L CA 2.152 56.489 54.840 -0.839 0.000 0.749 368 L CB -0.935 40.901 42.059 -0.371 0.000 0.890 368 L HN 0.125 nan 8.230 nan 0.000 0.431 369 T N -0.467 113.811 114.554 -0.461 0.000 2.699 369 T HA -0.230 4.120 4.350 -0.000 0.000 0.268 369 T C 1.652 176.121 174.700 -0.384 0.000 1.036 369 T CA 1.858 63.719 62.100 -0.398 0.000 1.147 369 T CB -0.391 68.389 68.868 -0.147 0.000 0.862 369 T HN 0.511 nan 8.240 nan 0.000 0.446 370 E N 1.305 121.298 120.200 -0.344 0.000 2.038 370 E HA -0.123 4.227 4.350 -0.000 0.000 0.195 370 E C 2.669 178.925 176.600 -0.573 0.000 1.000 370 E CA 1.103 57.322 56.400 -0.302 0.000 0.803 370 E CB -0.352 29.274 29.700 -0.124 0.000 0.750 370 E HN 0.505 nan 8.360 nan 0.000 0.448 371 A N 1.152 123.422 122.820 -0.916 0.000 1.948 371 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 371 A C 2.540 179.675 177.584 -0.748 0.000 1.177 371 A CA 1.546 52.787 52.037 -1.327 0.000 0.636 371 A CB -0.845 17.497 19.000 -1.096 0.000 0.815 371 A HN 0.126 nan 8.150 nan 0.000 0.449 372 V N -0.236 119.325 119.914 -0.589 0.000 2.233 372 V HA -0.364 3.756 4.120 -0.000 0.000 0.247 372 V C 2.642 178.517 176.094 -0.364 0.000 1.050 372 V CA 2.409 64.382 62.300 -0.545 0.000 1.010 372 V CB -1.076 30.277 31.823 -0.784 0.000 0.637 372 V HN 0.675 nan 8.190 nan 0.000 0.444 373 Q N -0.197 119.404 119.800 -0.333 0.000 2.135 373 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 373 Q C 2.334 178.233 176.000 -0.169 0.000 0.981 373 Q CA 1.938 57.627 55.803 -0.190 0.000 0.856 373 Q CB -0.307 28.344 28.738 -0.145 0.000 0.902 373 Q HN 0.639 nan 8.270 nan 0.000 0.425 374 K N 1.263 121.501 120.400 -0.270 0.000 1.978 374 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 374 K C 1.958 178.442 176.600 -0.192 0.000 1.049 374 K CA 1.601 57.746 56.287 -0.237 0.000 0.939 374 K CB -0.243 32.036 32.500 -0.370 0.000 0.721 374 K HN 0.149 nan 8.250 nan 0.000 0.441 375 I N 1.408 121.824 120.570 -0.258 0.000 2.248 375 I HA -0.302 3.868 4.170 -0.000 0.000 0.248 375 I C 2.270 178.410 176.117 0.038 0.000 1.107 375 I CA 1.661 62.872 61.300 -0.148 0.000 1.373 375 I CB -0.542 37.361 38.000 -0.162 0.000 1.055 375 I HN 0.367 nan 8.210 nan 0.000 0.418 376 T N 0.080 114.699 114.554 0.107 0.000 2.607 376 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 376 T C 2.025 176.768 174.700 0.071 0.000 1.049 376 T CA 2.514 64.711 62.100 0.161 0.000 1.162 376 T CB -0.790 68.156 68.868 0.130 0.000 0.863 376 T HN 0.604 nan 8.240 nan 0.000 0.424 377 T N 0.891 115.452 114.554 0.012 0.000 2.708 377 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 377 T C 1.847 176.521 174.700 -0.043 0.000 1.037 377 T CA 1.802 63.892 62.100 -0.016 0.000 1.146 377 T CB -0.644 68.202 68.868 -0.037 0.000 0.865 377 T HN 0.554 nan 8.240 nan 0.000 0.435 378 E N 0.933 121.099 120.200 -0.056 0.000 2.208 378 E HA -0.210 4.140 4.350 -0.000 0.000 0.202 378 E C 2.170 178.696 176.600 -0.123 0.000 1.014 378 E CA 1.654 58.000 56.400 -0.089 0.000 0.819 378 E CB -0.292 29.369 29.700 -0.066 0.000 0.735 378 E HN 0.646 nan 8.360 nan 0.000 0.469 379 S N 0.157 115.850 115.700 -0.012 0.000 2.348 379 S HA -0.026 4.444 4.470 -0.000 0.000 0.219 379 S C 1.936 176.500 174.600 -0.061 0.000 1.033 379 S CA 0.891 59.127 58.200 0.061 0.000 0.974 379 S CB -0.195 63.213 63.200 0.348 0.000 0.868 379 S HN 0.307 nan 8.310 nan 0.000 0.459 380 I N 1.835 122.406 120.570 0.003 0.000 2.381 380 I HA -0.193 3.977 4.170 -0.000 0.000 0.255 380 I C 1.974 178.030 176.117 -0.102 0.000 1.140 380 I CA 0.795 62.085 61.300 -0.017 0.000 1.404 380 I CB -0.659 37.342 38.000 0.002 0.000 1.075 380 I HN 0.152 nan 8.210 nan 0.000 0.433 381 V N 1.165 120.980 119.914 -0.165 0.000 2.256 381 V HA -0.197 3.923 4.120 -0.000 0.000 0.240 381 V C 2.249 178.137 176.094 -0.344 0.000 1.036 381 V CA 1.712 63.883 62.300 -0.214 0.000 1.008 381 V CB -0.314 31.383 31.823 -0.209 0.000 0.648 381 V HN 0.272 nan 8.190 nan 0.000 0.453 382 I N -1.175 119.059 120.570 -0.559 0.000 2.163 382 I HA -0.213 3.957 4.170 -0.000 0.000 0.240 382 I C 2.408 177.946 176.117 -0.965 0.000 1.081 382 I CA 2.099 62.842 61.300 -0.929 0.000 1.353 382 I CB -0.486 36.572 38.000 -1.570 0.000 1.054 382 I HN 0.364 nan 8.210 nan 0.000 0.407 383 W N 0.203 121.374 121.300 -0.215 0.000 2.588 383 W HA 0.303 4.963 4.660 -0.000 0.000 0.277 383 W C 1.793 178.173 176.519 -0.230 0.000 1.221 383 W CA 0.663 57.795 57.345 -0.354 0.000 1.355 383 W CB -0.204 29.137 29.460 -0.198 0.000 1.083 383 W HN 0.277 nan 8.180 nan 0.000 0.581 384 G N 0.257 109.059 108.800 0.003 0.000 2.168 384 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.197 384 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.197 384 G C -0.051 174.896 174.900 0.078 0.000 0.997 384 G CA -0.217 44.891 45.100 0.013 0.000 0.658 384 G HN 0.217 nan 8.290 nan 0.000 0.513 385 K N -0.375 120.110 120.400 0.142 0.000 2.556 385 K HA 0.552 4.872 4.320 -0.000 0.000 0.274 385 K C -0.872 175.826 176.600 0.163 0.000 0.966 385 K CA -0.748 55.624 56.287 0.143 0.000 0.865 385 K CB 1.472 34.067 32.500 0.158 0.000 1.444 385 K HN 0.044 nan 8.250 nan 0.000 0.433 386 T N 3.720 118.358 114.554 0.141 0.000 2.794 386 T HA 0.228 4.578 4.350 -0.000 0.000 0.296 386 T C -1.956 172.807 174.700 0.105 0.000 0.949 386 T CA -1.024 61.169 62.100 0.155 0.000 1.101 386 T CB 0.547 69.532 68.868 0.195 0.000 0.905 386 T HN 0.366 nan 8.240 nan 0.000 0.516 387 P HA 0.250 nan 4.420 nan 0.000 0.275 387 P C -0.724 176.432 177.300 -0.240 0.000 1.270 387 P CA -0.628 62.357 63.100 -0.190 0.000 0.791 387 P CB 0.989 32.444 31.700 -0.407 0.000 1.089 388 K N 0.242 120.485 120.400 -0.262 0.000 2.159 388 K HA 0.457 4.777 4.320 -0.000 0.000 0.266 388 K C -0.395 176.047 176.600 -0.263 0.000 0.975 388 K CA -0.384 55.843 56.287 -0.101 0.000 0.865 388 K CB 0.666 33.153 32.500 -0.021 0.000 1.087 388 K HN 0.301 nan 8.250 nan 0.000 0.446 389 F N 1.489 121.451 119.950 0.020 0.000 2.440 389 F HA 0.409 4.936 4.527 -0.000 0.000 0.328 389 F C 0.425 176.277 175.800 0.086 0.000 1.070 389 F CA -0.801 57.221 58.000 0.037 0.000 1.011 389 F CB 1.012 40.031 39.000 0.032 0.000 1.226 389 F HN 0.044 nan 8.300 nan 0.000 0.491 390 K N 3.497 124.063 120.400 0.278 0.000 2.604 390 K HA 0.514 4.834 4.320 -0.000 0.000 0.247 390 K C -1.387 175.400 176.600 0.312 0.000 0.956 390 K CA -0.215 56.208 56.287 0.227 0.000 0.896 390 K CB 1.709 34.282 32.500 0.122 0.000 1.131 390 K HN 0.544 nan 8.250 nan 0.000 0.440 391 L N 2.767 124.275 121.223 0.475 0.000 2.362 391 L HA 0.469 4.809 4.340 -0.000 0.000 0.271 391 L C -2.073 175.105 176.870 0.514 0.000 1.002 391 L CA -2.328 52.782 54.840 0.449 0.000 0.818 391 L CB 2.223 44.473 42.059 0.318 0.000 1.298 391 L HN 0.149 nan 8.230 nan 0.000 0.420 392 P HA 0.173 nan 4.420 nan 0.000 0.238 392 P C -0.807 176.643 177.300 0.250 0.000 1.714 392 P CA 0.692 63.991 63.100 0.332 0.000 0.908 392 P CB -0.267 31.532 31.700 0.165 0.000 1.893 393 I N -1.136 119.600 120.570 0.276 0.000 2.680 393 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 393 I C -1.174 174.839 176.117 -0.174 0.000 1.244 393 I CA -0.904 60.415 61.300 0.032 0.000 1.042 393 I CB 2.082 40.100 38.000 0.030 0.000 1.277 393 I HN -0.195 nan 8.210 nan 0.000 0.423 394 Q N 6.491 125.969 119.800 -0.537 0.000 2.314 394 Q HA 0.242 4.582 4.340 -0.000 0.000 0.258 394 Q C 0.571 176.546 176.000 -0.040 0.000 0.954 394 Q CA -0.702 54.678 55.803 -0.705 0.000 0.890 394 Q CB 1.191 29.596 28.738 -0.556 0.000 1.210 394 Q HN 0.470 nan 8.270 nan 0.000 0.410 395 K N 2.077 122.451 120.400 -0.042 0.000 2.127 395 K HA -0.275 4.045 4.320 -0.000 0.000 0.208 395 K C 1.451 178.182 176.600 0.218 0.000 1.047 395 K CA 1.649 58.027 56.287 0.151 0.000 0.927 395 K CB 0.061 32.531 32.500 -0.050 0.000 0.716 395 K HN 0.721 nan 8.250 nan 0.000 0.450 396 E N 0.057 120.311 120.200 0.090 0.000 2.216 396 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 396 E C 1.312 177.952 176.600 0.067 0.000 0.988 396 E CA 0.849 57.290 56.400 0.068 0.000 0.834 396 E CB 0.240 29.955 29.700 0.024 0.000 0.772 396 E HN 0.192 nan 8.360 nan 0.000 0.479 397 T N 0.853 115.449 114.554 0.071 0.000 2.821 397 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 397 T C 1.191 175.955 174.700 0.106 0.000 1.046 397 T CA 1.008 63.137 62.100 0.049 0.000 1.139 397 T CB -0.322 68.548 68.868 0.003 0.000 0.871 397 T HN 0.413 nan 8.240 nan 0.000 0.454 398 W N 2.291 123.632 121.300 0.068 0.000 2.381 398 W HA -0.117 4.543 4.660 -0.000 0.000 0.323 398 W C 2.260 178.874 176.519 0.157 0.000 1.194 398 W CA 1.476 58.888 57.345 0.112 0.000 1.296 398 W CB -0.514 29.031 29.460 0.142 0.000 1.175 398 W HN 0.285 nan 8.180 nan 0.000 0.465 399 E N -0.060 120.232 120.200 0.153 0.000 2.197 399 E HA -0.348 4.002 4.350 -0.000 0.000 0.205 399 E C 2.017 178.384 176.600 -0.388 0.000 1.029 399 E CA 3.128 59.467 56.400 -0.102 0.000 0.828 399 E CB -0.341 29.365 29.700 0.011 0.000 0.737 399 E HN 0.387 nan 8.360 nan 0.000 0.464 400 T N -1.366 113.059 114.554 -0.216 0.000 2.701 400 T HA -0.200 4.149 4.350 -0.000 0.000 0.263 400 T C 1.798 176.327 174.700 -0.286 0.000 1.040 400 T CA 1.111 63.065 62.100 -0.244 0.000 1.147 400 T CB -1.167 67.633 68.868 -0.114 0.000 0.865 400 T HN 0.534 nan 8.240 nan 0.000 0.426 401 W N 2.167 123.225 121.300 -0.403 0.000 2.304 401 W HA -0.216 4.444 4.660 -0.000 0.000 0.315 401 W C 2.374 178.629 176.519 -0.440 0.000 1.233 401 W CA 1.778 58.855 57.345 -0.447 0.000 1.261 401 W CB -0.687 28.456 29.460 -0.528 0.000 1.150 401 W HN 0.624 nan 8.180 nan 0.000 0.494 402 W N 1.716 122.564 121.300 -0.754 0.000 2.358 402 W HA -0.169 4.491 4.660 -0.000 0.000 0.303 402 W C 1.705 177.928 176.519 -0.493 0.000 1.208 402 W CA 1.640 58.525 57.345 -0.766 0.000 1.274 402 W CB -1.307 27.812 29.460 -0.568 0.000 1.138 402 W HN -0.248 nan 8.180 nan 0.000 0.515 403 T N 1.813 115.804 114.554 -0.938 0.000 2.833 403 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 403 T C 0.964 175.429 174.700 -0.392 0.000 1.054 403 T CA 1.887 63.418 62.100 -0.948 0.000 1.135 403 T CB -0.349 67.873 68.868 -1.076 0.000 0.869 403 T HN 0.305 nan 8.240 nan 0.000 0.466 404 E N -0.122 119.840 120.200 -0.396 0.000 2.359 404 E HA 0.109 4.459 4.350 -0.000 0.000 0.187 404 E C -0.758 175.645 176.600 -0.330 0.000 1.081 404 E CA -0.183 56.045 56.400 -0.286 0.000 0.929 404 E CB 0.149 29.705 29.700 -0.241 0.000 1.086 404 E HN 0.395 nan 8.360 nan 0.000 0.462 405 Y N 0.606 120.542 120.300 -0.606 0.000 2.391 405 Y HA 0.087 4.637 4.550 -0.000 0.000 0.341 405 Y C 0.426 176.030 175.900 -0.494 0.000 0.965 405 Y CA -2.267 55.333 58.100 -0.834 0.000 1.067 405 Y CB 0.616 38.245 38.460 -1.384 0.000 1.199 405 Y HN 0.046 nan 8.280 nan 0.000 0.450 406 W N 2.170 123.126 121.300 -0.573 0.000 2.374 406 W HA -0.028 4.632 4.660 -0.000 0.000 0.288 406 W C -0.293 175.908 176.519 -0.530 0.000 1.218 406 W CA 0.333 57.387 57.345 -0.484 0.000 1.245 406 W CB -0.572 28.652 29.460 -0.394 0.000 1.126 406 W HN 0.484 nan 8.180 nan 0.000 0.545 407 Q N 0.554 119.630 119.800 -1.207 0.000 2.256 407 Q HA 0.536 4.876 4.340 -0.000 0.000 0.232 407 Q C -0.162 175.622 176.000 -0.360 0.000 0.965 407 Q CA -0.473 54.938 55.803 -0.652 0.000 0.908 407 Q CB 1.513 29.811 28.738 -0.734 0.000 1.209 407 Q HN -0.023 nan 8.270 nan 0.000 0.489 408 A N 1.144 123.849 122.820 -0.192 0.000 2.331 408 A HA 0.576 4.896 4.320 -0.000 0.000 0.283 408 A C -0.126 177.423 177.584 -0.058 0.000 1.142 408 A CA -0.166 51.784 52.037 -0.146 0.000 0.812 408 A CB 0.414 19.336 19.000 -0.130 0.000 1.074 408 A HN 0.726 nan 8.150 nan 0.000 0.497 409 T N -1.732 112.810 114.554 -0.020 0.000 2.838 409 T HA 0.727 5.077 4.350 -0.000 0.000 0.292 409 T C -1.029 173.856 174.700 0.309 0.000 1.113 409 T CA -0.683 61.516 62.100 0.164 0.000 1.008 409 T CB 1.234 70.279 68.868 0.296 0.000 1.259 409 T HN 1.350 nan 8.240 nan 0.000 0.520 410 W N 0.301 121.672 121.300 0.119 0.000 3.901 410 W HA 0.599 5.259 4.660 -0.000 0.000 0.274 410 W C -2.627 173.815 176.519 -0.128 0.000 1.278 410 W CA -0.882 56.486 57.345 0.039 0.000 1.235 410 W CB 0.941 30.370 29.460 -0.052 0.000 1.261 410 W HN 0.866 nan 8.180 nan 0.000 0.546 411 I N 7.065 127.079 120.570 -0.926 0.000 2.646 411 I HA 0.497 4.667 4.170 -0.000 0.000 0.299 411 I C -1.497 173.580 176.117 -1.734 0.000 1.036 411 I CA -2.259 58.372 61.300 -1.114 0.000 1.074 411 I CB 2.164 39.347 38.000 -1.362 0.000 1.258 411 I HN 0.209 nan 8.210 nan 0.000 0.430 412 P HA 0.002 nan 4.420 nan 0.000 0.195 412 P C -0.140 176.980 177.300 -0.301 0.000 1.086 412 P CA 0.930 63.567 63.100 -0.772 0.000 0.798 412 P CB 0.319 32.036 31.700 0.028 0.000 0.679 413 E N 0.043 120.268 120.200 0.041 0.000 1.979 413 E HA 0.072 4.422 4.350 -0.000 0.000 0.285 413 E C -0.421 176.331 176.600 0.254 0.000 1.188 413 E CA -0.335 56.161 56.400 0.160 0.000 1.214 413 E CB -1.041 28.785 29.700 0.210 0.000 1.210 413 E HN 0.438 nan 8.360 nan 0.000 0.477 414 W N 2.535 123.734 121.300 -0.169 0.000 2.216 414 W HA 0.179 4.839 4.660 -0.000 0.000 0.326 414 W C 0.026 176.509 176.519 -0.060 0.000 1.319 414 W CA -0.127 57.096 57.345 -0.204 0.000 1.213 414 W CB 0.783 30.006 29.460 -0.394 0.000 1.171 414 W HN 0.104 nan 8.180 nan 0.000 0.557 415 E N 6.679 126.804 120.200 -0.124 0.000 2.406 415 E HA 0.077 4.427 4.350 -0.000 0.000 0.297 415 E C -1.845 174.570 176.600 -0.308 0.000 0.917 415 E CA -0.745 55.435 56.400 -0.366 0.000 0.795 415 E CB 0.815 30.471 29.700 -0.073 0.000 1.285 415 E HN 0.358 nan 8.360 nan 0.000 0.400 416 F N 4.245 123.824 119.950 -0.619 0.000 2.495 416 F HA 0.373 4.900 4.527 -0.000 0.000 0.365 416 F C -0.638 175.112 175.800 -0.084 0.000 1.090 416 F CA -0.467 57.356 58.000 -0.294 0.000 1.235 416 F CB 0.618 39.467 39.000 -0.251 0.000 1.119 416 F HN 0.130 nan 8.300 nan 0.000 0.562 417 V N 6.806 126.689 119.914 -0.052 0.000 2.419 417 V HA 0.136 4.256 4.120 -0.000 0.000 0.287 417 V C -0.253 175.533 176.094 -0.513 0.000 1.017 417 V CA -1.131 60.942 62.300 -0.379 0.000 0.844 417 V CB 1.373 33.171 31.823 -0.043 0.000 1.011 417 V HN 0.744 nan 8.190 nan 0.000 0.429 418 N N 3.526 121.676 118.700 -0.916 0.000 2.410 418 N HA 0.111 4.851 4.740 -0.000 0.000 0.281 418 N C 0.195 175.648 175.510 -0.094 0.000 1.241 418 N CA 0.185 52.990 53.050 -0.408 0.000 0.998 418 N CB 0.353 38.641 38.487 -0.331 0.000 1.376 418 N HN 0.703 nan 8.380 nan 0.000 0.490 419 T N 2.940 117.518 114.554 0.041 0.000 2.912 419 T HA 0.276 4.626 4.350 -0.000 0.000 0.280 419 T C -1.290 173.446 174.700 0.060 0.000 0.989 419 T CA -1.375 60.750 62.100 0.042 0.000 0.995 419 T CB 1.543 70.450 68.868 0.064 0.000 1.077 419 T HN 0.359 nan 8.240 nan 0.000 0.531 420 P HA 0.017 nan 4.420 nan 0.000 0.205 420 P C -1.884 175.441 177.300 0.042 0.000 1.193 420 P CA 1.130 64.253 63.100 0.038 0.000 0.929 420 P CB -1.630 30.083 31.700 0.022 0.000 0.772 421 P HA 0.162 nan 4.420 nan 0.000 0.276 421 P C -0.124 177.172 177.300 -0.008 0.000 1.264 421 P CA 0.634 63.728 63.100 -0.009 0.000 0.769 421 P CB 0.645 32.303 31.700 -0.070 0.000 0.840 422 L N 3.569 124.805 121.223 0.022 0.000 2.331 422 L HA 0.561 4.901 4.340 -0.000 0.000 0.268 422 L C 0.638 177.457 176.870 -0.085 0.000 1.015 422 L CA -1.367 53.489 54.840 0.025 0.000 0.807 422 L CB 2.053 44.172 42.059 0.100 0.000 1.293 422 L HN 0.223 nan 8.230 nan 0.000 0.451 423 V N -0.476 119.380 119.914 -0.097 0.000 2.459 423 V HA 0.630 4.750 4.120 -0.000 0.000 0.295 423 V C -0.596 175.350 176.094 -0.247 0.000 1.029 423 V CA -0.527 61.650 62.300 -0.205 0.000 0.874 423 V CB 1.440 33.209 31.823 -0.090 0.000 0.985 423 V HN 0.767 nan 8.190 nan 0.000 0.438 424 K N 4.200 124.332 120.400 -0.446 0.000 2.536 424 K HA 0.575 4.895 4.320 -0.000 0.000 0.269 424 K C -1.349 174.996 176.600 -0.425 0.000 0.965 424 K CA -0.954 55.128 56.287 -0.343 0.000 0.860 424 K CB 2.699 35.101 32.500 -0.162 0.000 1.423 424 K HN 0.725 nan 8.250 nan 0.000 0.438 425 L N 2.468 123.576 121.223 -0.192 0.000 2.515 425 L HA 0.106 4.446 4.340 -0.000 0.000 0.281 425 L C 0.934 177.893 176.870 0.148 0.000 1.131 425 L CA -0.055 54.714 54.840 -0.118 0.000 0.905 425 L CB -0.112 41.910 42.059 -0.062 0.000 1.246 425 L HN 0.688 nan 8.230 nan 0.000 0.463 426 W N 2.808 124.158 121.300 0.084 0.000 2.331 426 W HA -0.222 4.438 4.660 -0.000 0.000 0.291 426 W C 0.722 177.418 176.519 0.294 0.000 1.214 426 W CA 0.252 57.708 57.345 0.184 0.000 1.228 426 W CB 0.016 29.604 29.460 0.213 0.000 1.135 426 W HN 0.584 nan 8.180 nan 0.000 0.537 427 Y N -2.889 117.569 120.300 0.262 0.000 2.840 427 Y HA 0.654 5.204 4.550 -0.000 0.000 0.324 427 Y C -1.034 174.942 175.900 0.128 0.000 1.378 427 Y CA -2.400 55.797 58.100 0.161 0.000 1.077 427 Y CB 0.411 38.947 38.460 0.127 0.000 1.361 427 Y HN -0.157 nan 8.280 nan 0.000 0.459 428 Q N 0.805 120.594 119.800 -0.019 0.000 2.472 428 Q HA 0.593 4.933 4.340 -0.000 0.000 0.281 428 Q C -1.678 174.344 176.000 0.037 0.000 0.997 428 Q CA -0.923 54.816 55.803 -0.107 0.000 0.828 428 Q CB 3.406 32.129 28.738 -0.025 0.000 1.443 428 Q HN 0.669 nan 8.270 nan 0.000 0.390 429 L N 0.792 122.025 121.223 0.016 0.000 2.387 429 L HA 0.461 4.801 4.340 -0.000 0.000 0.266 429 L C 0.261 177.186 176.870 0.091 0.000 1.059 429 L CA -1.012 53.877 54.840 0.081 0.000 0.801 429 L CB 0.640 42.731 42.059 0.053 0.000 1.223 429 L HN 0.479 nan 8.230 nan 0.000 0.456 430 E N 1.084 121.376 120.200 0.153 0.000 2.354 430 E HA 0.092 4.442 4.350 -0.000 0.000 0.269 430 E C 0.386 177.131 176.600 0.243 0.000 1.036 430 E CA -0.308 56.207 56.400 0.191 0.000 0.876 430 E CB 1.268 31.114 29.700 0.243 0.000 1.009 430 E HN 0.353 nan 8.360 nan 0.000 0.416 431 K N 1.147 121.649 120.400 0.170 0.000 2.103 431 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 431 K C 0.316 177.084 176.600 0.279 0.000 1.052 431 K CA 1.018 57.405 56.287 0.167 0.000 0.945 431 K CB 0.328 32.877 32.500 0.082 0.000 0.722 431 K HN 0.404 nan 8.250 nan 0.000 0.443 432 E N 0.362 120.663 120.200 0.168 0.000 2.312 432 E HA 0.295 4.645 4.350 -0.000 0.000 0.267 432 E C -2.554 173.764 176.600 -0.469 0.000 0.894 432 E CA -2.623 53.745 56.400 -0.054 0.000 0.773 432 E CB 1.710 31.374 29.700 -0.061 0.000 1.241 432 E HN -0.067 nan 8.360 nan 0.000 0.432 433 P HA 0.064 nan 4.420 nan 0.000 0.265 433 P C -0.037 177.032 177.300 -0.385 0.000 1.187 433 P CA 0.234 62.664 63.100 -1.117 0.000 0.766 433 P CB 0.626 31.815 31.700 -0.851 0.000 0.820 434 I N 2.703 123.149 120.570 -0.207 0.000 2.471 434 I HA 0.064 4.234 4.170 -0.000 0.000 0.286 434 I C 0.714 176.799 176.117 -0.053 0.000 1.079 434 I CA -0.711 60.547 61.300 -0.069 0.000 1.398 434 I CB 0.820 38.823 38.000 0.007 0.000 1.403 434 I HN 0.074 nan 8.210 nan 0.000 0.530 435 V N 6.278 126.169 119.914 -0.040 0.000 2.508 435 V HA 0.308 4.428 4.120 -0.000 0.000 0.281 435 V C 1.119 177.212 176.094 -0.002 0.000 1.041 435 V CA 0.623 62.909 62.300 -0.024 0.000 1.016 435 V CB 0.490 32.300 31.823 -0.021 0.000 0.984 435 V HN 1.157 nan 8.190 nan 0.000 0.478 436 G N 3.876 112.680 108.800 0.007 0.000 2.141 436 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.242 436 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.242 436 G C 0.241 175.162 174.900 0.034 0.000 0.982 436 G CA 0.028 45.139 45.100 0.018 0.000 0.662 436 G HN 1.441 nan 8.290 nan 0.000 0.527 437 A N -0.045 122.803 122.820 0.046 0.000 2.301 437 A HA 0.714 5.034 4.320 -0.000 0.000 0.312 437 A C 0.368 178.014 177.584 0.104 0.000 1.182 437 A CA 0.135 52.220 52.037 0.081 0.000 0.826 437 A CB 0.680 19.733 19.000 0.090 0.000 1.134 437 A HN 0.594 nan 8.150 nan 0.000 0.501 438 E N 1.808 122.089 120.200 0.135 0.000 2.351 438 E HA 0.131 4.481 4.350 -0.000 0.000 0.266 438 E C -0.564 176.143 176.600 0.177 0.000 1.031 438 E CA 0.093 56.548 56.400 0.091 0.000 0.911 438 E CB 0.316 30.048 29.700 0.053 0.000 0.986 438 E HN 0.551 nan 8.360 nan 0.000 0.446 439 T N 5.865 120.488 114.554 0.116 0.000 2.727 439 T HA 0.159 4.509 4.350 -0.000 0.000 0.295 439 T C -0.599 174.250 174.700 0.249 0.000 0.915 439 T CA -0.101 62.137 62.100 0.229 0.000 1.066 439 T CB -0.221 68.803 68.868 0.259 0.000 0.891 439 T HN 0.231 nan 8.240 nan 0.000 0.516 440 F N 3.255 123.297 119.950 0.154 0.000 2.391 440 F HA 0.350 4.877 4.527 -0.000 0.000 0.359 440 F C 0.082 175.994 175.800 0.186 0.000 1.122 440 F CA -1.242 56.862 58.000 0.173 0.000 1.120 440 F CB 0.440 39.413 39.000 -0.045 0.000 1.142 440 F HN 0.478 nan 8.300 nan 0.000 0.483 441 Y N 3.081 123.503 120.300 0.204 0.000 2.404 441 Y HA 0.480 5.029 4.550 -0.000 0.000 0.344 441 Y C 0.160 176.180 175.900 0.200 0.000 0.995 441 Y CA -0.867 57.320 58.100 0.145 0.000 1.201 441 Y CB 0.580 39.086 38.460 0.078 0.000 1.151 441 Y HN 0.224 nan 8.280 nan 0.000 0.517 442 V N 2.912 122.951 119.914 0.209 0.000 3.019 442 V HA 0.685 4.805 4.120 -0.000 0.000 0.317 442 V C -0.550 175.624 176.094 0.134 0.000 1.094 442 V CA -0.779 61.643 62.300 0.204 0.000 1.000 442 V CB 2.242 34.147 31.823 0.136 0.000 1.060 442 V HN 0.664 nan 8.190 nan 0.000 0.443 443 D N -0.577 119.906 120.400 0.137 0.000 2.842 443 D HA 0.524 5.164 4.640 -0.000 0.000 0.248 443 D C -0.609 175.752 176.300 0.101 0.000 1.140 443 D CA 0.259 54.314 54.000 0.092 0.000 0.728 443 D CB 1.938 42.778 40.800 0.065 0.000 1.595 443 D HN 0.926 nan 8.370 nan 0.000 0.450 444 G N -0.309 108.540 108.800 0.082 0.000 2.725 444 G HA2 1.028 4.988 3.960 -0.000 0.000 0.288 444 G HA3 1.028 4.988 3.960 -0.000 0.000 0.288 444 G C -1.485 173.451 174.900 0.060 0.000 1.399 444 G CA -0.071 45.076 45.100 0.079 0.000 0.859 444 G HN 0.840 nan 8.290 nan 0.000 0.479 445 A N -1.634 121.218 122.820 0.055 0.000 2.566 445 A HA 1.021 5.341 4.320 -0.000 0.000 0.290 445 A C -0.997 176.611 177.584 0.040 0.000 1.071 445 A CA 0.138 52.202 52.037 0.045 0.000 0.658 445 A CB 1.092 20.119 19.000 0.046 0.000 1.285 445 A HN 2.558 nan 8.150 nan 0.000 0.427 446 A N 0.623 123.462 122.820 0.033 0.000 2.577 446 A HA 0.670 4.990 4.320 -0.000 0.000 0.297 446 A C -1.133 176.465 177.584 0.023 0.000 1.060 446 A CA -0.469 51.585 52.037 0.028 0.000 0.697 446 A CB 1.135 20.149 19.000 0.025 0.000 1.281 446 A HN 1.446 nan 8.150 nan 0.000 0.402 447 N N 0.883 119.595 118.700 0.021 0.000 2.458 447 N HA 0.208 4.948 4.740 -0.000 0.000 0.270 447 N C 1.137 176.655 175.510 0.014 0.000 1.102 447 N CA -0.244 52.817 53.050 0.018 0.000 0.967 447 N CB 0.701 39.198 38.487 0.017 0.000 1.078 447 N HN 0.619 nan 8.380 nan 0.000 0.471 448 R N 2.113 122.620 120.500 0.012 0.000 2.091 448 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 448 R C 1.131 177.435 176.300 0.008 0.000 1.136 448 R CA 1.266 57.371 56.100 0.008 0.000 0.959 448 R CB -0.099 30.206 30.300 0.007 0.000 0.856 448 R HN 0.643 nan 8.270 nan 0.000 0.437 449 E N 0.408 120.613 120.200 0.009 0.000 2.005 449 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 449 E C 2.237 178.842 176.600 0.009 0.000 1.010 449 E CA 2.191 58.596 56.400 0.008 0.000 0.825 449 E CB -0.819 28.886 29.700 0.009 0.000 0.769 449 E HN 0.486 nan 8.360 nan 0.000 0.456 450 T N -1.064 113.496 114.554 0.011 0.000 2.951 450 T HA -0.050 4.300 4.350 -0.000 0.000 0.268 450 T C 0.672 175.380 174.700 0.013 0.000 1.073 450 T CA 0.735 62.842 62.100 0.012 0.000 1.134 450 T CB -0.174 68.702 68.868 0.013 0.000 0.884 450 T HN 0.159 nan 8.240 nan 0.000 0.479 451 K N 1.221 121.628 120.400 0.013 0.000 3.372 451 K HA -0.094 4.226 4.320 -0.000 0.000 0.272 451 K C -0.969 175.642 176.600 0.018 0.000 1.037 451 K CA 0.145 56.441 56.287 0.014 0.000 0.777 451 K CB -2.015 30.493 32.500 0.012 0.000 1.347 451 K HN 0.532 nan 8.250 nan 0.000 0.460 452 L N -0.675 120.560 121.223 0.020 0.000 2.466 452 L HA 0.800 5.140 4.340 -0.000 0.000 0.258 452 L C 0.438 177.324 176.870 0.026 0.000 0.973 452 L CA -0.939 53.914 54.840 0.023 0.000 0.826 452 L CB 2.535 44.606 42.059 0.021 0.000 1.372 452 L HN 0.282 nan 8.230 nan 0.000 0.409 453 G N 1.047 109.866 108.800 0.031 0.000 2.606 453 G HA2 0.604 4.564 3.960 -0.000 0.000 0.300 453 G HA3 0.604 4.564 3.960 -0.000 0.000 0.300 453 G C -2.012 172.912 174.900 0.041 0.000 1.360 453 G CA -0.569 44.553 45.100 0.035 0.000 0.783 453 G HN 0.415 nan 8.290 nan 0.000 0.484 454 K N -1.006 119.421 120.400 0.045 0.000 2.400 454 K HA 0.825 5.145 4.320 -0.000 0.000 0.246 454 K C -0.941 175.699 176.600 0.066 0.000 0.995 454 K CA -0.776 55.541 56.287 0.050 0.000 0.840 454 K CB 2.680 35.204 32.500 0.040 0.000 1.293 454 K HN 0.883 nan 8.250 nan 0.000 0.445 455 A N 0.569 123.437 122.820 0.079 0.000 2.465 455 A HA 0.785 5.105 4.320 -0.000 0.000 0.292 455 A C -0.792 176.870 177.584 0.130 0.000 1.041 455 A CA -0.271 51.831 52.037 0.108 0.000 0.718 455 A CB 1.735 20.807 19.000 0.120 0.000 1.266 455 A HN 0.785 nan 8.150 nan 0.000 0.403 456 G N 0.148 109.046 108.800 0.163 0.000 2.664 456 G HA2 0.831 4.791 3.960 -0.000 0.000 0.303 456 G HA3 0.831 4.791 3.960 -0.000 0.000 0.303 456 G C -1.132 173.976 174.900 0.347 0.000 1.243 456 G CA 0.328 45.544 45.100 0.194 0.000 0.826 456 G HN 2.076 nan 8.290 nan 0.000 0.498 457 Y N -3.565 116.803 120.300 0.112 0.000 2.895 457 Y HA 0.812 5.362 4.550 -0.000 0.000 0.339 457 Y C -1.169 174.786 175.900 0.092 0.000 1.363 457 Y CA -1.387 56.801 58.100 0.146 0.000 1.085 457 Y CB 0.750 39.367 38.460 0.261 0.000 1.500 457 Y HN 0.778 nan 8.280 nan 0.000 0.442 458 V N 0.360 120.410 119.914 0.228 0.000 3.202 458 V HA 0.880 5.000 4.120 -0.000 0.000 0.306 458 V C -0.759 175.381 176.094 0.078 0.000 1.283 458 V CA -0.185 62.129 62.300 0.023 0.000 1.065 458 V CB 2.280 34.086 31.823 -0.028 0.000 1.079 458 V HN 1.292 nan 8.190 nan 0.000 0.448 459 T N -2.025 112.467 114.554 -0.103 0.000 2.816 459 T HA 0.305 4.655 4.350 -0.000 0.000 0.299 459 T C 0.458 175.045 174.700 -0.188 0.000 1.230 459 T CA -0.238 61.739 62.100 -0.205 0.000 1.007 459 T CB 1.545 70.137 68.868 -0.459 0.000 1.289 459 T HN 0.682 nan 8.240 nan 0.000 0.508 460 N N 0.780 119.392 118.700 -0.146 0.000 2.309 460 N HA -0.097 4.643 4.740 -0.000 0.000 0.182 460 N C 1.117 176.567 175.510 -0.100 0.000 1.018 460 N CA 0.894 53.880 53.050 -0.107 0.000 0.876 460 N CB -0.205 38.262 38.487 -0.033 0.000 0.972 460 N HN 0.646 nan 8.380 nan 0.000 0.434 461 K N -0.528 119.805 120.400 -0.112 0.000 2.017 461 K HA 0.164 4.484 4.320 -0.000 0.000 0.207 461 K C 1.396 177.948 176.600 -0.081 0.000 1.035 461 K CA 1.413 57.651 56.287 -0.082 0.000 0.947 461 K CB -0.008 32.451 32.500 -0.067 0.000 0.749 461 K HN 0.407 nan 8.250 nan 0.000 0.443 462 G N -0.208 108.536 108.800 -0.093 0.000 4.258 462 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.208 462 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.208 462 G C -0.421 174.429 174.900 -0.083 0.000 0.777 462 G CA -0.628 44.423 45.100 -0.081 0.000 0.836 462 G HN -0.006 nan 8.290 nan 0.000 0.499 463 R N 0.749 121.204 120.500 -0.074 0.000 2.697 463 R HA 0.315 4.655 4.340 -0.000 0.000 0.265 463 R C -0.043 176.176 176.300 -0.134 0.000 1.009 463 R CA 0.738 56.809 56.100 -0.048 0.000 1.099 463 R CB 0.278 30.615 30.300 0.061 0.000 0.965 463 R HN 0.347 nan 8.270 nan 0.000 0.428 464 Q N 2.380 122.049 119.800 -0.220 0.000 3.068 464 Q HA 0.127 4.467 4.340 -0.000 0.000 0.209 464 Q C -1.551 174.199 176.000 -0.418 0.000 0.802 464 Q CA -0.339 55.246 55.803 -0.362 0.000 0.848 464 Q CB 1.007 29.625 28.738 -0.200 0.000 1.459 464 Q HN 0.493 nan 8.270 nan 0.000 0.455 465 K N 1.375 121.295 120.400 -0.800 0.000 2.132 465 K HA 0.790 5.110 4.320 -0.000 0.000 0.241 465 K C -1.152 175.268 176.600 -0.300 0.000 1.000 465 K CA -0.563 55.452 56.287 -0.453 0.000 0.911 465 K CB 1.577 33.905 32.500 -0.286 0.000 1.093 465 K HN 0.322 nan 8.250 nan 0.000 0.460 466 V N 1.375 121.227 119.914 -0.103 0.000 3.098 466 V HA 0.323 4.443 4.120 -0.000 0.000 0.294 466 V C -1.565 174.537 176.094 0.013 0.000 1.351 466 V CA -0.944 61.340 62.300 -0.027 0.000 0.999 466 V CB 2.269 34.071 31.823 -0.034 0.000 1.104 466 V HN 0.566 nan 8.190 nan 0.000 0.438 467 V N 4.324 124.263 119.914 0.042 0.000 2.888 467 V HA 0.580 4.700 4.120 -0.000 0.000 0.309 467 V C -2.573 173.548 176.094 0.045 0.000 1.114 467 V CA -1.567 60.761 62.300 0.047 0.000 0.940 467 V CB 2.885 34.751 31.823 0.071 0.000 1.021 467 V HN 0.781 nan 8.190 nan 0.000 0.426 468 P HA 0.540 nan 4.420 nan 0.000 0.278 468 P C -1.489 175.836 177.300 0.041 0.000 1.238 468 P CA -0.257 62.864 63.100 0.034 0.000 0.794 468 P CB 1.695 33.411 31.700 0.027 0.000 0.955 469 L N 1.814 123.060 121.223 0.040 0.000 2.445 469 L HA 0.494 4.834 4.340 -0.000 0.000 0.262 469 L C 0.266 177.157 176.870 0.035 0.000 0.974 469 L CA -0.589 54.277 54.840 0.043 0.000 0.822 469 L CB 2.529 44.619 42.059 0.051 0.000 1.339 469 L HN 0.369 nan 8.230 nan 0.000 0.409 470 T N -1.906 112.668 114.554 0.034 0.000 2.823 470 T HA 0.402 4.752 4.350 -0.000 0.000 0.279 470 T C -0.070 174.646 174.700 0.027 0.000 0.998 470 T CA -0.772 61.345 62.100 0.028 0.000 0.994 470 T CB 1.219 70.102 68.868 0.025 0.000 0.960 470 T HN 0.697 nan 8.240 nan 0.000 0.448 471 N N 1.511 120.225 118.700 0.023 0.000 2.614 471 N HA -0.166 4.574 4.740 -0.000 0.000 0.276 471 N C -0.209 175.314 175.510 0.023 0.000 1.119 471 N CA 0.781 53.843 53.050 0.020 0.000 0.742 471 N CB -0.778 37.720 38.487 0.018 0.000 0.900 471 N HN 1.061 nan 8.380 nan 0.000 0.549 472 T N -3.075 111.492 114.554 0.023 0.000 2.754 472 T HA 0.685 5.035 4.350 -0.000 0.000 0.296 472 T C 0.182 174.892 174.700 0.015 0.000 1.205 472 T CA -0.454 61.660 62.100 0.024 0.000 1.009 472 T CB 2.238 71.127 68.868 0.035 0.000 1.368 472 T HN 0.173 nan 8.240 nan 0.000 0.509 473 T N -1.456 113.104 114.554 0.009 0.000 2.938 473 T HA 0.449 4.799 4.350 -0.000 0.000 0.285 473 T C 0.815 175.512 174.700 -0.005 0.000 1.028 473 T CA -0.979 61.115 62.100 -0.009 0.000 1.005 473 T CB 1.026 69.871 68.868 -0.039 0.000 1.157 473 T HN 0.585 nan 8.240 nan 0.000 0.550 474 N N 0.022 118.711 118.700 -0.018 0.000 2.396 474 N HA -0.100 4.640 4.740 -0.000 0.000 0.180 474 N C 1.832 177.336 175.510 -0.010 0.000 1.028 474 N CA 0.745 53.793 53.050 -0.003 0.000 0.893 474 N CB 0.064 38.550 38.487 -0.001 0.000 0.967 474 N HN 0.626 nan 8.380 nan 0.000 0.440 475 Q N 0.836 120.587 119.800 -0.082 0.000 2.083 475 Q HA -0.025 4.315 4.340 -0.000 0.000 0.198 475 Q C 1.640 177.685 176.000 0.075 0.000 0.969 475 Q CA 0.869 56.599 55.803 -0.123 0.000 0.838 475 Q CB 0.137 28.534 28.738 -0.568 0.000 0.900 475 Q HN 0.140 nan 8.270 nan 0.000 0.436 476 K N 0.193 120.623 120.400 0.051 0.000 2.147 476 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 476 K C 2.266 178.926 176.600 0.100 0.000 1.049 476 K CA 1.815 58.159 56.287 0.096 0.000 0.936 476 K CB -0.871 31.668 32.500 0.065 0.000 0.722 476 K HN 0.429 nan 8.250 nan 0.000 0.446 477 T N -0.188 114.414 114.554 0.081 0.000 2.732 477 T HA -0.067 4.283 4.350 -0.000 0.000 0.261 477 T C 1.686 176.452 174.700 0.111 0.000 1.040 477 T CA 0.707 62.861 62.100 0.090 0.000 1.145 477 T CB -0.139 68.772 68.868 0.072 0.000 0.866 477 T HN 0.060 nan 8.240 nan 0.000 0.427 478 E N 1.322 121.589 120.200 0.112 0.000 2.187 478 E HA -0.082 4.268 4.350 -0.000 0.000 0.199 478 E C 2.230 178.919 176.600 0.149 0.000 1.004 478 E CA 0.944 57.422 56.400 0.131 0.000 0.813 478 E CB -0.388 29.400 29.700 0.147 0.000 0.736 478 E HN 0.566 nan 8.360 nan 0.000 0.468 479 L N 0.442 121.766 121.223 0.167 0.000 2.102 479 L HA -0.143 4.197 4.340 -0.000 0.000 0.202 479 L C 2.621 179.577 176.870 0.143 0.000 1.076 479 L CA 0.644 55.571 54.840 0.146 0.000 0.761 479 L CB -0.384 41.767 42.059 0.153 0.000 0.921 479 L HN 0.033 nan 8.230 nan 0.000 0.444 480 Q N 0.196 120.084 119.800 0.147 0.000 2.062 480 Q HA -0.273 4.067 4.340 -0.000 0.000 0.209 480 Q C 2.348 178.466 176.000 0.197 0.000 0.996 480 Q CA 2.133 58.048 55.803 0.187 0.000 0.859 480 Q CB -0.593 28.238 28.738 0.154 0.000 0.920 480 Q HN 0.539 nan 8.270 nan 0.000 0.415 481 A N 0.934 123.848 122.820 0.157 0.000 1.892 481 A HA -0.195 4.125 4.320 -0.000 0.000 0.218 481 A C 2.208 179.853 177.584 0.102 0.000 1.188 481 A CA 1.543 53.670 52.037 0.151 0.000 0.631 481 A CB -0.818 18.272 19.000 0.151 0.000 0.822 481 A HN 0.361 nan 8.150 nan 0.000 0.447 482 I N -1.962 118.665 120.570 0.096 0.000 2.208 482 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 482 I C 2.486 178.629 176.117 0.043 0.000 1.097 482 I CA 1.754 63.080 61.300 0.044 0.000 1.363 482 I CB -0.480 37.552 38.000 0.054 0.000 1.051 482 I HN 0.527 nan 8.210 nan 0.000 0.413 483 Y N 1.962 122.235 120.300 -0.044 0.000 2.070 483 Y HA -0.277 4.273 4.550 -0.000 0.000 0.280 483 Y C 2.347 178.188 175.900 -0.098 0.000 1.148 483 Y CA 1.499 59.564 58.100 -0.058 0.000 1.125 483 Y CB -0.793 37.659 38.460 -0.015 0.000 0.975 483 Y HN -0.002 nan 8.280 nan 0.000 0.492 484 L N -0.188 120.954 121.223 -0.136 0.000 1.951 484 L HA -0.367 3.973 4.340 -0.000 0.000 0.222 484 L C 2.762 179.391 176.870 -0.403 0.000 1.078 484 L CA 1.839 56.547 54.840 -0.221 0.000 0.778 484 L CB -1.433 40.659 42.059 0.055 0.000 0.893 484 L HN 0.311 nan 8.230 nan 0.000 0.436 485 A N -0.325 122.158 122.820 -0.562 0.000 2.009 485 A HA -0.237 4.083 4.320 -0.000 0.000 0.222 485 A C 2.248 179.274 177.584 -0.931 0.000 1.175 485 A CA 1.962 53.359 52.037 -1.067 0.000 0.651 485 A CB -0.854 17.655 19.000 -0.819 0.000 0.815 485 A HN 0.440 nan 8.150 nan 0.000 0.459 486 L N -1.379 119.538 121.223 -0.511 0.000 2.027 486 L HA -0.239 4.101 4.340 -0.000 0.000 0.206 486 L C 2.971 179.629 176.870 -0.354 0.000 1.074 486 L CA 1.658 56.277 54.840 -0.369 0.000 0.745 486 L CB -0.652 41.312 42.059 -0.158 0.000 0.898 486 L HN 0.514 nan 8.230 nan 0.000 0.433 487 Q N 0.039 119.603 119.800 -0.393 0.000 1.967 487 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 487 Q C 0.246 176.112 176.000 -0.223 0.000 0.985 487 Q CA 1.202 56.814 55.803 -0.319 0.000 0.839 487 Q CB -0.200 28.296 28.738 -0.402 0.000 0.906 487 Q HN 0.405 nan 8.270 nan 0.000 0.423 488 D N 1.425 121.695 120.400 -0.217 0.000 2.662 488 D HA 0.073 4.713 4.640 -0.000 0.000 0.228 488 D C -0.388 175.871 176.300 -0.068 0.000 1.093 488 D CA 0.228 54.197 54.000 -0.052 0.000 1.075 488 D CB -0.249 40.633 40.800 0.137 0.000 1.122 488 D HN 0.168 nan 8.370 nan 0.000 0.475 489 S N -1.840 113.800 115.700 -0.099 0.000 2.655 489 S HA 0.725 5.195 4.470 -0.000 0.000 0.266 489 S C 0.028 174.620 174.600 -0.013 0.000 1.149 489 S CA -0.989 57.190 58.200 -0.035 0.000 0.818 489 S CB 1.398 64.346 63.200 -0.421 0.000 1.130 489 S HN 0.203 nan 8.310 nan 0.000 0.476 490 G N -0.486 108.334 108.800 0.034 0.000 2.753 490 G HA2 0.569 4.529 3.960 -0.000 0.000 0.285 490 G HA3 0.569 4.529 3.960 -0.000 0.000 0.285 490 G C 0.618 175.521 174.900 0.005 0.000 1.344 490 G CA -1.105 44.009 45.100 0.023 0.000 1.050 490 G HN 0.748 nan 8.290 nan 0.000 0.532 491 L N -0.826 120.404 121.223 0.011 0.000 2.187 491 L HA 0.007 4.347 4.340 -0.000 0.000 0.213 491 L C 0.838 177.722 176.870 0.024 0.000 1.100 491 L CA 1.307 56.153 54.840 0.010 0.000 0.765 491 L CB -0.319 41.748 42.059 0.013 0.000 0.904 491 L HN 0.439 nan 8.230 nan 0.000 0.437 492 E N -0.635 119.588 120.200 0.037 0.000 2.210 492 E HA 0.539 4.889 4.350 -0.000 0.000 0.266 492 E C -1.199 175.444 176.600 0.072 0.000 0.883 492 E CA -0.269 56.163 56.400 0.053 0.000 0.761 492 E CB 3.204 32.934 29.700 0.050 0.000 1.156 492 E HN -0.152 nan 8.360 nan 0.000 0.412 493 V N 3.212 123.176 119.914 0.083 0.000 2.852 493 V HA 0.345 4.465 4.120 -0.000 0.000 0.300 493 V C -1.915 174.270 176.094 0.152 0.000 1.205 493 V CA -0.767 61.604 62.300 0.119 0.000 0.940 493 V CB 2.146 33.991 31.823 0.037 0.000 1.047 493 V HN 0.634 nan 8.190 nan 0.000 0.429 494 N N 5.675 124.498 118.700 0.206 0.000 2.438 494 N HA 0.623 5.363 4.740 -0.000 0.000 0.282 494 N C -0.721 174.928 175.510 0.233 0.000 1.037 494 N CA -0.099 53.097 53.050 0.244 0.000 0.942 494 N CB 2.249 40.859 38.487 0.205 0.000 1.136 494 N HN 0.880 nan 8.380 nan 0.000 0.481 495 I N 0.771 121.438 120.570 0.163 0.000 2.828 495 I HA 0.525 4.695 4.170 -0.000 0.000 0.302 495 I C -1.414 174.708 176.117 0.007 0.000 1.101 495 I CA -0.839 60.517 61.300 0.093 0.000 1.031 495 I CB 1.918 39.924 38.000 0.010 0.000 1.231 495 I HN 0.065 nan 8.210 nan 0.000 0.427 496 V N 5.206 125.084 119.914 -0.061 0.000 2.567 496 V HA 0.408 4.528 4.120 -0.000 0.000 0.298 496 V C -0.306 175.709 176.094 -0.132 0.000 1.047 496 V CA -0.360 61.843 62.300 -0.160 0.000 0.880 496 V CB 2.013 33.578 31.823 -0.429 0.000 1.009 496 V HN 0.885 nan 8.190 nan 0.000 0.429 497 T N 0.600 115.109 114.554 -0.075 0.000 2.945 497 T HA 0.442 4.792 4.350 -0.000 0.000 0.286 497 T C 0.053 174.650 174.700 -0.171 0.000 1.025 497 T CA -0.640 61.434 62.100 -0.045 0.000 1.039 497 T CB 1.712 70.623 68.868 0.071 0.000 1.068 497 T HN 0.742 nan 8.240 nan 0.000 0.497 498 D N -0.184 120.140 120.400 -0.126 0.000 2.722 498 D HA 0.158 4.798 4.640 -0.000 0.000 0.239 498 D C -0.330 176.007 176.300 0.062 0.000 1.249 498 D CA -0.658 53.215 54.000 -0.212 0.000 0.830 498 D CB -0.467 40.229 40.800 -0.174 0.000 1.025 498 D HN 0.512 nan 8.370 nan 0.000 0.486 499 S N -1.154 114.712 115.700 0.277 0.000 2.652 499 S HA 0.199 4.669 4.470 -0.000 0.000 0.273 499 S C 0.482 175.292 174.600 0.351 0.000 1.172 499 S CA -0.781 57.621 58.200 0.337 0.000 1.009 499 S CB 1.576 64.904 63.200 0.214 0.000 1.094 499 S HN -0.008 nan 8.310 nan 0.000 0.471 500 Q N 1.134 121.059 119.800 0.208 0.000 2.297 500 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 500 Q C 1.225 177.213 176.000 -0.021 0.000 0.962 500 Q CA 1.302 57.049 55.803 -0.092 0.000 0.879 500 Q CB -0.281 28.288 28.738 -0.282 0.000 0.947 500 Q HN 0.879 nan 8.270 nan 0.000 0.462 501 Y N 1.393 121.667 120.300 -0.043 0.000 2.036 501 Y HA -0.282 4.268 4.550 -0.000 0.000 0.273 501 Y C 2.320 178.194 175.900 -0.043 0.000 1.135 501 Y CA 1.749 59.821 58.100 -0.048 0.000 1.106 501 Y CB -0.703 37.750 38.460 -0.011 0.000 0.976 501 Y HN 0.044 nan 8.280 nan 0.000 0.483 502 A N 0.512 123.297 122.820 -0.058 0.000 1.908 502 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 502 A C 2.259 179.763 177.584 -0.133 0.000 1.181 502 A CA 1.855 53.790 52.037 -0.170 0.000 0.627 502 A CB -1.439 17.590 19.000 0.048 0.000 0.818 502 A HN 0.652 nan 8.150 nan 0.000 0.445 503 L N 0.210 121.404 121.223 -0.049 0.000 1.990 503 L HA -0.116 4.224 4.340 -0.000 0.000 0.213 503 L C 2.401 179.197 176.870 -0.122 0.000 1.072 503 L CA 2.735 57.541 54.840 -0.057 0.000 0.755 503 L CB -1.231 40.802 42.059 -0.043 0.000 0.889 503 L HN 0.305 nan 8.230 nan 0.000 0.432 504 G N -0.080 108.608 108.800 -0.186 0.000 2.514 504 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 504 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 504 G C 1.620 176.416 174.900 -0.174 0.000 1.198 504 G CA 1.424 46.390 45.100 -0.223 0.000 0.780 504 G HN 0.536 nan 8.290 nan 0.000 0.565 505 I N 0.676 121.073 120.570 -0.289 0.000 2.113 505 I HA -0.253 3.917 4.170 -0.000 0.000 0.242 505 I C 2.758 178.822 176.117 -0.089 0.000 1.064 505 I CA 1.267 62.376 61.300 -0.319 0.000 1.320 505 I CB -0.357 37.339 38.000 -0.507 0.000 1.028 505 I HN 0.180 nan 8.210 nan 0.000 0.406 506 I N 0.002 120.544 120.570 -0.047 0.000 2.252 506 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 506 I C 2.686 178.864 176.117 0.102 0.000 1.102 506 I CA 1.089 62.432 61.300 0.071 0.000 1.385 506 I CB -0.547 37.488 38.000 0.060 0.000 1.064 506 I HN 0.321 nan 8.210 nan 0.000 0.414 507 Q N 0.761 120.592 119.800 0.051 0.000 2.197 507 Q HA -0.209 4.131 4.340 -0.000 0.000 0.207 507 Q C 2.265 178.394 176.000 0.215 0.000 0.984 507 Q CA 1.844 57.698 55.803 0.084 0.000 0.869 507 Q CB -0.428 28.319 28.738 0.015 0.000 0.906 507 Q HN 0.594 nan 8.270 nan 0.000 0.426 508 A N 0.384 123.369 122.820 0.276 0.000 2.239 508 A HA -0.080 4.240 4.320 -0.000 0.000 0.209 508 A C 0.427 178.179 177.584 0.280 0.000 1.171 508 A CA 0.211 52.493 52.037 0.409 0.000 0.768 508 A CB -0.193 19.073 19.000 0.444 0.000 0.790 508 A HN 0.452 nan 8.150 nan 0.000 0.478 509 Q N -1.985 117.918 119.800 0.173 0.000 2.452 509 Q HA -0.146 4.194 4.340 -0.000 0.000 0.318 509 Q C -2.248 173.863 176.000 0.186 0.000 1.386 509 Q CA 0.206 56.034 55.803 0.042 0.000 0.872 509 Q CB -1.901 26.758 28.738 -0.133 0.000 1.151 509 Q HN 0.444 nan 8.270 nan 0.000 0.417 510 P HA -0.074 nan 4.420 nan 0.000 0.260 510 P C 0.082 177.550 177.300 0.280 0.000 1.185 510 P CA 0.307 63.566 63.100 0.264 0.000 0.763 510 P CB 0.631 32.513 31.700 0.303 0.000 0.776 511 D N 2.511 123.016 120.400 0.175 0.000 2.103 511 D HA -0.027 4.613 4.640 -0.000 0.000 0.199 511 D C 0.682 177.076 176.300 0.157 0.000 0.978 511 D CA 1.669 55.775 54.000 0.178 0.000 0.829 511 D CB 0.266 41.097 40.800 0.051 0.000 0.981 511 D HN 0.261 nan 8.370 nan 0.000 0.464 512 K N -1.134 119.327 120.400 0.102 0.000 2.430 512 K HA 0.672 4.992 4.320 -0.000 0.000 0.268 512 K C -0.891 175.711 176.600 0.004 0.000 1.043 512 K CA -0.720 55.601 56.287 0.057 0.000 0.899 512 K CB 2.072 34.602 32.500 0.050 0.000 1.472 512 K HN -0.045 nan 8.250 nan 0.000 0.451 513 S N -0.769 114.890 115.700 -0.067 0.000 2.587 513 S HA 0.224 4.694 4.470 -0.000 0.000 0.269 513 S C -0.327 174.171 174.600 -0.169 0.000 1.154 513 S CA -0.433 57.641 58.200 -0.210 0.000 0.824 513 S CB 1.151 64.110 63.200 -0.401 0.000 1.118 513 S HN 0.528 nan 8.310 nan 0.000 0.462 514 E N 0.820 120.895 120.200 -0.209 0.000 2.216 514 E HA 0.036 4.386 4.350 -0.000 0.000 0.192 514 E C 0.254 176.788 176.600 -0.110 0.000 0.988 514 E CA 0.413 56.742 56.400 -0.117 0.000 0.834 514 E CB 0.080 29.728 29.700 -0.086 0.000 0.772 514 E HN 0.361 nan 8.360 nan 0.000 0.479 515 S N 1.246 116.842 115.700 -0.174 0.000 2.405 515 S HA -0.004 4.466 4.470 -0.000 0.000 0.291 515 S C 1.023 175.569 174.600 -0.089 0.000 1.137 515 S CA -0.458 57.681 58.200 -0.101 0.000 1.061 515 S CB 0.369 63.531 63.200 -0.063 0.000 1.001 515 S HN 0.076 nan 8.310 nan 0.000 0.507 516 E N 3.390 123.549 120.200 -0.068 0.000 2.070 516 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 516 E C 1.840 178.365 176.600 -0.126 0.000 1.004 516 E CA 1.114 57.466 56.400 -0.079 0.000 0.805 516 E CB -0.329 29.336 29.700 -0.058 0.000 0.744 516 E HN 0.726 nan 8.360 nan 0.000 0.451 517 L N 0.781 121.928 121.223 -0.127 0.000 2.013 517 L HA -0.171 4.169 4.340 -0.000 0.000 0.212 517 L C 2.359 179.102 176.870 -0.211 0.000 1.073 517 L CA 1.470 56.179 54.840 -0.218 0.000 0.753 517 L CB -0.715 41.275 42.059 -0.115 0.000 0.890 517 L HN -0.075 nan 8.230 nan 0.000 0.432 518 V N 0.330 120.193 119.914 -0.084 0.000 2.407 518 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 518 V C 2.410 178.467 176.094 -0.061 0.000 1.055 518 V CA 1.878 64.165 62.300 -0.023 0.000 1.049 518 V CB -0.935 30.944 31.823 0.094 0.000 0.662 518 V HN 0.523 nan 8.190 nan 0.000 0.455 519 N N -0.219 118.428 118.700 -0.089 0.000 2.120 519 N HA -0.148 4.592 4.740 -0.000 0.000 0.188 519 N C 1.906 177.349 175.510 -0.112 0.000 1.024 519 N CA 1.098 54.103 53.050 -0.076 0.000 0.852 519 N CB -0.382 38.067 38.487 -0.065 0.000 1.003 519 N HN 0.442 nan 8.380 nan 0.000 0.424 520 Q N 0.733 120.411 119.800 -0.203 0.000 2.030 520 Q HA -0.068 4.272 4.340 -0.000 0.000 0.204 520 Q C 2.289 178.161 176.000 -0.212 0.000 0.986 520 Q CA 1.019 56.648 55.803 -0.291 0.000 0.843 520 Q CB -0.597 27.694 28.738 -0.744 0.000 0.904 520 Q HN 0.479 nan 8.270 nan 0.000 0.420 521 I N 0.401 120.799 120.570 -0.286 0.000 2.423 521 I HA -0.266 3.904 4.170 -0.000 0.000 0.254 521 I C 2.188 178.265 176.117 -0.066 0.000 1.151 521 I CA 0.895 62.152 61.300 -0.072 0.000 1.421 521 I CB -0.281 37.682 38.000 -0.061 0.000 1.079 521 I HN 0.137 nan 8.210 nan 0.000 0.431 522 I N 0.261 120.771 120.570 -0.100 0.000 2.277 522 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 522 I C 2.601 178.596 176.117 -0.202 0.000 1.094 522 I CA 1.007 62.201 61.300 -0.176 0.000 1.393 522 I CB -0.404 37.544 38.000 -0.086 0.000 1.078 522 I HN 0.219 nan 8.210 nan 0.000 0.417 523 E N 0.908 121.043 120.200 -0.108 0.000 2.097 523 E HA -0.294 4.056 4.350 -0.000 0.000 0.196 523 E C 2.202 178.746 176.600 -0.093 0.000 1.000 523 E CA 1.499 57.846 56.400 -0.089 0.000 0.804 523 E CB 0.127 29.804 29.700 -0.038 0.000 0.740 523 E HN 0.418 nan 8.360 nan 0.000 0.454 524 Q N 0.317 120.089 119.800 -0.046 0.000 2.020 524 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 524 Q C 2.581 178.515 176.000 -0.109 0.000 0.982 524 Q CA 1.101 56.878 55.803 -0.043 0.000 0.838 524 Q CB -0.550 28.199 28.738 0.018 0.000 0.899 524 Q HN 0.416 nan 8.270 nan 0.000 0.423 525 L N 1.000 122.114 121.223 -0.181 0.000 2.089 525 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 525 L C 2.456 179.154 176.870 -0.286 0.000 1.079 525 L CA 1.251 55.924 54.840 -0.279 0.000 0.758 525 L CB -0.742 40.974 42.059 -0.572 0.000 0.891 525 L HN 0.299 nan 8.230 nan 0.000 0.433 526 I N -3.376 117.010 120.570 -0.307 0.000 2.761 526 I HA -0.164 4.006 4.170 -0.000 0.000 0.261 526 I C 2.199 178.252 176.117 -0.106 0.000 1.198 526 I CA 1.132 62.327 61.300 -0.175 0.000 1.482 526 I CB -0.323 37.554 38.000 -0.205 0.000 1.100 526 I HN 0.125 nan 8.210 nan 0.000 0.445 527 K N 1.304 121.641 120.400 -0.104 0.000 2.137 527 K HA 0.083 4.403 4.320 -0.000 0.000 0.202 527 K C 0.766 177.340 176.600 -0.042 0.000 1.052 527 K CA 0.358 56.601 56.287 -0.072 0.000 0.961 527 K CB 0.024 32.483 32.500 -0.068 0.000 0.741 527 K HN 0.193 nan 8.250 nan 0.000 0.452 528 K N 1.210 121.589 120.400 -0.035 0.000 2.188 528 K HA -0.066 4.254 4.320 -0.000 0.000 0.246 528 K C 0.995 177.604 176.600 0.014 0.000 1.026 528 K CA 0.587 56.867 56.287 -0.011 0.000 0.871 528 K CB 0.580 33.076 32.500 -0.008 0.000 1.042 528 K HN 0.141 nan 8.250 nan 0.000 0.509 529 E N 0.271 120.486 120.200 0.025 0.000 2.372 529 E HA 0.029 4.379 4.350 -0.000 0.000 0.201 529 E C -0.595 176.038 176.600 0.055 0.000 0.938 529 E CA 0.473 56.895 56.400 0.036 0.000 0.944 529 E CB 0.574 30.290 29.700 0.026 0.000 0.937 529 E HN 0.292 nan 8.360 nan 0.000 0.495 530 K N 0.604 121.041 120.400 0.062 0.000 2.589 530 K HA 0.342 4.662 4.320 -0.000 0.000 0.253 530 K C -1.744 174.913 176.600 0.096 0.000 0.974 530 K CA -0.471 55.865 56.287 0.081 0.000 0.835 530 K CB 2.687 35.229 32.500 0.069 0.000 1.272 530 K HN -0.148 nan 8.250 nan 0.000 0.444 531 V N 2.693 122.683 119.914 0.126 0.000 2.735 531 V HA 0.455 4.575 4.120 -0.000 0.000 0.310 531 V C -1.494 174.717 176.094 0.196 0.000 1.061 531 V CA -0.902 61.479 62.300 0.136 0.000 0.913 531 V CB 1.920 33.812 31.823 0.115 0.000 1.005 531 V HN 0.769 nan 8.190 nan 0.000 0.428 532 Y N 5.038 125.367 120.300 0.048 0.000 2.344 532 Y HA 0.660 5.210 4.550 -0.000 0.000 0.328 532 Y C -1.269 174.655 175.900 0.040 0.000 1.067 532 Y CA -0.828 57.299 58.100 0.045 0.000 1.247 532 Y CB 1.515 39.999 38.460 0.040 0.000 1.113 532 Y HN 0.599 nan 8.280 nan 0.000 0.465 533 L N 6.270 127.328 121.223 -0.275 0.000 2.260 533 L HA 0.870 5.210 4.340 -0.000 0.000 0.289 533 L C -0.576 176.054 176.870 -0.400 0.000 1.057 533 L CA -0.089 54.618 54.840 -0.222 0.000 0.811 533 L CB 0.303 42.304 42.059 -0.097 0.000 1.184 533 L HN 0.705 nan 8.230 nan 0.000 0.429 534 A N 4.645 127.310 122.820 -0.258 0.000 2.346 534 A HA 0.775 5.095 4.320 -0.000 0.000 0.313 534 A C -1.837 175.761 177.584 0.023 0.000 1.140 534 A CA -0.609 51.331 52.037 -0.162 0.000 0.826 534 A CB 0.844 19.822 19.000 -0.037 0.000 1.332 534 A HN 0.827 nan 8.150 nan 0.000 0.457 535 W N 0.515 121.748 121.300 -0.112 0.000 2.883 535 W HA 0.569 5.229 4.660 -0.000 0.000 0.335 535 W C -1.360 175.124 176.519 -0.058 0.000 1.083 535 W CA -0.616 56.679 57.345 -0.084 0.000 1.233 535 W CB 1.920 31.329 29.460 -0.084 0.000 1.412 535 W HN 0.872 nan 8.180 nan 0.000 0.490 536 V N 3.178 122.392 119.914 -1.166 0.000 2.789 536 V HA 0.666 4.786 4.120 -0.000 0.000 0.311 536 V C -2.759 172.410 176.094 -1.542 0.000 1.073 536 V CA -3.119 58.509 62.300 -1.121 0.000 0.921 536 V CB 1.689 33.213 31.823 -0.499 0.000 1.009 536 V HN 0.497 nan 8.190 nan 0.000 0.426 537 P HA 0.233 nan 4.420 nan 0.000 0.257 537 P C 0.315 177.409 177.300 -0.342 0.000 1.189 537 P CA 0.815 63.586 63.100 -0.548 0.000 0.780 537 P CB 0.232 31.813 31.700 -0.198 0.000 0.772 538 A N 3.651 126.299 122.820 -0.286 0.000 2.492 538 A HA 0.032 4.352 4.320 -0.000 0.000 0.236 538 A C 0.786 178.248 177.584 -0.203 0.000 1.078 538 A CA 0.542 52.391 52.037 -0.313 0.000 0.773 538 A CB -0.849 17.908 19.000 -0.404 0.000 1.023 538 A HN 0.862 nan 8.150 nan 0.000 0.504 539 H N -1.486 117.566 119.070 -0.029 0.000 3.906 539 H HA -0.168 4.388 4.556 -0.000 0.000 0.179 539 H C 0.195 175.513 175.328 -0.016 0.000 0.941 539 H CA 1.703 57.743 56.048 -0.013 0.000 1.232 539 H CB -1.222 28.540 29.762 0.001 0.000 1.037 539 H HN 0.703 nan 8.280 nan 0.000 0.362 540 K N 0.725 121.156 120.400 0.050 0.000 2.118 540 K HA 0.283 4.603 4.320 -0.000 0.000 0.264 540 K C 1.259 177.870 176.600 0.018 0.000 1.000 540 K CA 0.345 56.649 56.287 0.028 0.000 0.929 540 K CB 0.931 33.428 32.500 -0.006 0.000 1.021 540 K HN 0.293 nan 8.250 nan 0.000 0.463 541 G N 2.647 111.460 108.800 0.021 0.000 3.229 541 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.214 541 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.214 541 G C 0.398 175.306 174.900 0.014 0.000 1.256 541 G CA -0.156 44.955 45.100 0.018 0.000 1.042 541 G HN 0.492 nan 8.290 nan 0.000 0.497 542 I N 1.692 122.266 120.570 0.008 0.000 2.741 542 I HA 0.040 4.210 4.170 -0.000 0.000 0.288 542 I C 1.568 177.720 176.117 0.058 0.000 1.192 542 I CA -0.194 61.117 61.300 0.019 0.000 1.426 542 I CB 0.200 38.188 38.000 -0.019 0.000 1.367 542 I HN 0.148 nan 8.210 nan 0.000 0.563 543 G N 4.272 113.111 108.800 0.066 0.000 2.391 543 G HA2 0.273 4.233 3.960 -0.000 0.000 0.234 543 G HA3 0.273 4.233 3.960 -0.000 0.000 0.234 543 G C 1.105 176.043 174.900 0.063 0.000 1.284 543 G CA 0.182 45.305 45.100 0.037 0.000 0.873 543 G HN 1.183 nan 8.290 nan 0.000 0.549 544 G N 2.166 110.878 108.800 -0.146 0.000 2.507 544 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.240 544 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.240 544 G C 1.508 176.469 174.900 0.101 0.000 1.119 544 G CA 1.293 46.173 45.100 -0.366 0.000 0.664 544 G HN 0.996 nan 8.290 nan 0.000 0.516 545 N N 1.093 119.950 118.700 0.262 0.000 2.062 545 N HA -0.049 4.691 4.740 -0.000 0.000 0.191 545 N C 1.956 177.509 175.510 0.071 0.000 1.042 545 N CA 2.253 55.405 53.050 0.169 0.000 0.845 545 N CB -0.493 38.038 38.487 0.074 0.000 1.024 545 N HN 0.648 nan 8.380 nan 0.000 0.424 546 E N -0.304 119.921 120.200 0.042 0.000 2.171 546 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 546 E C 1.746 178.359 176.600 0.022 0.000 0.997 546 E CA 1.248 57.665 56.400 0.029 0.000 0.810 546 E CB -0.015 29.697 29.700 0.020 0.000 0.738 546 E HN 0.584 nan 8.360 nan 0.000 0.467 547 Q N -0.211 119.595 119.800 0.009 0.000 1.969 547 Q HA -0.115 4.225 4.340 -0.000 0.000 0.198 547 Q C 2.400 178.407 176.000 0.013 0.000 0.978 547 Q CA 1.674 57.473 55.803 -0.007 0.000 0.830 547 Q CB -0.031 28.678 28.738 -0.047 0.000 0.896 547 Q HN 0.219 nan 8.270 nan 0.000 0.431 548 V N 1.854 121.793 119.914 0.042 0.000 2.568 548 V HA -0.255 3.865 4.120 -0.000 0.000 0.253 548 V C 1.850 177.975 176.094 0.052 0.000 1.072 548 V CA 1.932 64.270 62.300 0.062 0.000 1.084 548 V CB -0.753 31.146 31.823 0.127 0.000 0.676 548 V HN 0.400 nan 8.190 nan 0.000 0.469 549 D N 0.707 121.135 120.400 0.046 0.000 2.087 549 D HA -0.213 4.427 4.640 -0.000 0.000 0.192 549 D C 2.183 178.507 176.300 0.041 0.000 0.993 549 D CA 1.736 55.761 54.000 0.042 0.000 0.828 549 D CB -0.132 40.694 40.800 0.043 0.000 0.968 549 D HN 0.395 nan 8.370 nan 0.000 0.448 550 K N -0.264 120.155 120.400 0.031 0.000 2.057 550 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 550 K C 2.383 178.994 176.600 0.017 0.000 1.049 550 K CA 0.802 57.103 56.287 0.023 0.000 0.931 550 K CB -0.199 32.309 32.500 0.013 0.000 0.714 550 K HN 0.256 nan 8.250 nan 0.000 0.440 551 L N 1.048 122.278 121.223 0.012 0.000 2.079 551 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 551 L C 2.357 179.236 176.870 0.014 0.000 1.081 551 L CA 1.128 55.971 54.840 0.004 0.000 0.752 551 L CB -0.822 41.232 42.059 -0.007 0.000 0.896 551 L HN 0.118 nan 8.230 nan 0.000 0.433 552 V N -3.722 116.208 119.914 0.028 0.000 3.306 552 V HA 0.068 4.188 4.120 -0.000 0.000 0.264 552 V C 1.321 177.434 176.094 0.033 0.000 1.149 552 V CA 0.197 62.518 62.300 0.035 0.000 1.143 552 V CB -0.715 31.137 31.823 0.049 0.000 0.767 552 V HN 0.397 nan 8.190 nan 0.000 0.476 553 S N 0.908 116.626 115.700 0.031 0.000 2.601 553 S HA 0.804 5.274 4.470 -0.000 0.000 0.271 553 S C 0.076 174.689 174.600 0.021 0.000 1.305 553 S CA 0.001 58.219 58.200 0.030 0.000 1.022 553 S CB 1.588 64.808 63.200 0.032 0.000 0.940 553 S HN 1.053 nan 8.310 nan 0.000 0.525 554 A N 0.000 122.832 122.820 0.020 0.000 2.254 554 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 554 A CA 0.000 52.046 52.037 0.015 0.000 0.836 554 A CB 0.000 19.009 19.000 0.015 0.000 0.831 554 A HN 0.000 nan 8.150 nan 0.000 0.486