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 1hys_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVS 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 0.000 177.354 177.300 0.091 0.000 1.155 1 P CA 0.000 63.151 63.100 0.086 0.000 0.800 1 P CB 0.000 31.750 31.700 0.083 0.000 0.726 2 I N 1.919 122.528 120.570 0.065 0.000 2.662 2 I HA 0.294 4.463 4.170 -0.000 0.000 0.285 2 I C 0.246 176.404 176.117 0.068 0.000 1.161 2 I CA 0.305 61.642 61.300 0.062 0.000 1.415 2 I CB 0.461 38.482 38.000 0.036 0.000 1.385 2 I HN 0.102 nan 8.210 nan 0.000 0.552 3 S N 8.723 124.481 115.700 0.096 0.000 2.525 3 S HA 0.526 4.996 4.470 -0.000 0.000 0.278 3 S C -1.426 173.239 174.600 0.108 0.000 1.234 3 S CA -1.248 57.026 58.200 0.122 0.000 1.058 3 S CB 0.988 64.293 63.200 0.174 0.000 0.983 3 S HN 0.620 nan 8.310 nan 0.000 0.495 4 P HA 0.138 nan 4.420 nan 0.000 0.249 4 P C 0.495 177.910 177.300 0.191 0.000 1.229 4 P CA -0.150 62.982 63.100 0.053 0.000 0.788 4 P CB -0.175 31.453 31.700 -0.120 0.000 1.072 5 I N 0.966 121.753 120.570 0.361 0.000 2.775 5 I HA -0.031 4.139 4.170 -0.000 0.000 0.290 5 I C 0.764 176.989 176.117 0.181 0.000 1.203 5 I CA -0.151 61.377 61.300 0.381 0.000 1.433 5 I CB 0.137 38.273 38.000 0.226 0.000 1.354 5 I HN -0.088 nan 8.210 nan 0.000 0.579 6 E N 4.682 124.968 120.200 0.143 0.000 2.422 6 E HA 0.019 4.369 4.350 -0.000 0.000 0.260 6 E C -0.441 176.186 176.600 0.046 0.000 1.108 6 E CA -0.160 56.287 56.400 0.078 0.000 0.943 6 E CB 0.746 30.481 29.700 0.058 0.000 0.961 6 E HN 0.739 nan 8.360 nan 0.000 0.443 7 T N 0.833 115.409 114.554 0.038 0.000 2.934 7 T HA 0.336 4.686 4.350 -0.000 0.000 0.283 7 T C -0.636 174.067 174.700 0.005 0.000 1.005 7 T CA -0.817 61.301 62.100 0.030 0.000 1.041 7 T CB 1.087 69.984 68.868 0.048 0.000 1.042 7 T HN 0.179 nan 8.240 nan 0.000 0.505 8 V N 5.922 125.833 119.914 -0.004 0.000 2.432 8 V HA 0.363 4.483 4.120 -0.000 0.000 0.275 8 V C -2.030 174.041 176.094 -0.038 0.000 1.043 8 V CA -1.846 60.426 62.300 -0.047 0.000 0.925 8 V CB 1.005 32.770 31.823 -0.095 0.000 0.985 8 V HN 0.813 nan 8.190 nan 0.000 0.466 9 P HA 0.125 nan 4.420 nan 0.000 0.263 9 P C -0.347 176.927 177.300 -0.044 0.000 1.601 9 P CA 0.199 63.290 63.100 -0.015 0.000 1.161 9 P CB 0.482 32.176 31.700 -0.009 0.000 1.730 10 V N 3.762 123.644 119.914 -0.052 0.000 2.732 10 V HA 0.347 4.467 4.120 -0.000 0.000 0.297 10 V C -0.005 176.112 176.094 0.037 0.000 1.060 10 V CA 0.037 62.280 62.300 -0.094 0.000 1.038 10 V CB 0.790 32.524 31.823 -0.148 0.000 1.003 10 V HN 0.293 nan 8.190 nan 0.000 0.481 11 K N 4.482 124.957 120.400 0.124 0.000 2.208 11 K HA 0.670 4.990 4.320 -0.000 0.000 0.241 11 K C -1.327 175.454 176.600 0.301 0.000 1.087 11 K CA -0.976 55.462 56.287 0.251 0.000 0.883 11 K CB 1.764 34.364 32.500 0.168 0.000 1.360 11 K HN 0.614 nan 8.250 nan 0.000 0.496 12 L N 1.263 122.630 121.223 0.239 0.000 2.330 12 L HA 0.433 4.772 4.340 -0.000 0.000 0.271 12 L C -0.053 176.881 176.870 0.107 0.000 1.013 12 L CA -1.049 53.885 54.840 0.157 0.000 0.816 12 L CB 1.195 43.275 42.059 0.036 0.000 1.287 12 L HN 0.364 nan 8.230 nan 0.000 0.435 13 K N 2.847 123.293 120.400 0.075 0.000 2.504 13 K HA 0.029 4.349 4.320 -0.000 0.000 0.278 13 K C -2.133 174.500 176.600 0.054 0.000 1.025 13 K CA -1.109 55.211 56.287 0.056 0.000 1.093 13 K CB -0.073 32.447 32.500 0.033 0.000 0.873 13 K HN 0.326 nan 8.250 nan 0.000 0.483 14 P HA -0.157 nan 4.420 nan 0.000 0.263 14 P C 0.268 177.595 177.300 0.045 0.000 1.168 14 P CA 0.638 63.769 63.100 0.052 0.000 0.759 14 P CB 0.293 32.020 31.700 0.045 0.000 0.782 15 G N 2.103 110.931 108.800 0.048 0.000 2.333 15 G HA2 -0.217 3.742 3.960 -0.000 0.000 0.296 15 G HA3 -0.217 3.742 3.960 -0.000 0.000 0.296 15 G C -0.121 174.804 174.900 0.043 0.000 1.059 15 G CA 0.378 45.504 45.100 0.044 0.000 1.050 15 G HN 0.543 nan 8.290 nan 0.000 0.508 16 M N -1.315 118.313 119.600 0.047 0.000 2.990 16 M HA 0.624 5.104 4.480 -0.000 0.000 0.462 16 M C -0.532 175.801 176.300 0.055 0.000 1.961 16 M CA -0.585 54.740 55.300 0.042 0.000 0.798 16 M CB 1.605 34.221 32.600 0.026 0.000 3.332 16 M HN 0.225 nan 8.290 nan 0.000 0.541 17 D N -1.174 119.247 120.400 0.034 0.000 2.893 17 D HA 0.381 5.021 4.640 -0.000 0.000 0.346 17 D C -1.042 175.233 176.300 -0.041 0.000 1.402 17 D CA 0.091 54.128 54.000 0.062 0.000 0.815 17 D CB 0.691 41.608 40.800 0.194 0.000 1.403 17 D HN 0.682 nan 8.370 nan 0.000 0.484 18 G N -0.168 108.654 108.800 0.037 0.000 2.683 18 G HA2 0.499 4.459 3.960 -0.000 0.000 0.260 18 G HA3 0.499 4.459 3.960 -0.000 0.000 0.260 18 G C -2.307 172.702 174.900 0.182 0.000 1.238 18 G CA -0.610 44.466 45.100 -0.039 0.000 0.934 18 G HN 0.374 nan 8.290 nan 0.000 0.534 19 P HA 0.344 nan 4.420 nan 0.000 0.292 19 P C -0.967 176.436 177.300 0.172 0.000 1.287 19 P CA -0.436 62.754 63.100 0.149 0.000 0.800 19 P CB 1.463 33.248 31.700 0.140 0.000 0.945 20 K N 1.997 122.457 120.400 0.100 0.000 3.205 20 K HA 0.276 4.596 4.320 -0.000 0.000 0.202 20 K C -0.342 176.272 176.600 0.023 0.000 1.160 20 K CA -0.513 55.807 56.287 0.056 0.000 0.995 20 K CB 0.820 33.331 32.500 0.019 0.000 1.041 20 K HN 0.227 nan 8.250 nan 0.000 0.507 21 V N 1.838 121.769 119.914 0.029 0.000 2.686 21 V HA 0.064 4.184 4.120 -0.000 0.000 0.295 21 V C 0.633 176.718 176.094 -0.016 0.000 1.055 21 V CA -0.535 61.763 62.300 -0.003 0.000 1.050 21 V CB 0.533 32.357 31.823 0.003 0.000 0.984 21 V HN 0.377 nan 8.190 nan 0.000 0.482 22 K N 3.001 123.365 120.400 -0.061 0.000 2.319 22 K HA 0.282 4.602 4.320 -0.000 0.000 0.265 22 K C -0.213 176.355 176.600 -0.053 0.000 1.000 22 K CA -0.365 55.877 56.287 -0.075 0.000 0.943 22 K CB 0.345 32.758 32.500 -0.144 0.000 0.950 22 K HN 0.605 nan 8.250 nan 0.000 0.485 23 Q N 2.595 122.395 119.800 -0.001 0.000 2.454 23 Q HA 0.091 4.431 4.340 -0.000 0.000 0.255 23 Q C -1.401 174.683 176.000 0.139 0.000 1.034 23 Q CA -0.486 55.368 55.803 0.085 0.000 0.736 23 Q CB 0.480 29.281 28.738 0.105 0.000 1.210 23 Q HN 0.438 nan 8.270 nan 0.000 0.500 24 W N 4.990 126.300 121.300 0.018 0.000 2.377 24 W HA 0.073 4.733 4.660 -0.000 0.000 0.341 24 W C -1.989 174.523 176.519 -0.012 0.000 1.240 24 W CA -1.115 56.219 57.345 -0.017 0.000 1.311 24 W CB 0.057 29.476 29.460 -0.068 0.000 1.175 24 W HN 0.528 nan 8.180 nan 0.000 0.571 25 P HA 0.002 nan 4.420 nan 0.000 0.267 25 P C -0.007 177.316 177.300 0.039 0.000 1.205 25 P CA -0.002 63.164 63.100 0.110 0.000 0.765 25 P CB 0.601 32.345 31.700 0.074 0.000 0.828 26 L N 2.867 124.110 121.223 0.032 0.000 2.400 26 L HA 0.342 4.682 4.340 -0.000 0.000 0.264 26 L C 0.868 177.720 176.870 -0.029 0.000 1.061 26 L CA -0.164 54.669 54.840 -0.011 0.000 0.799 26 L CB 0.821 42.903 42.059 0.038 0.000 1.240 26 L HN 0.311 nan 8.230 nan 0.000 0.461 27 T N 0.951 115.477 114.554 -0.047 0.000 2.926 27 T HA -0.011 4.339 4.350 -0.000 0.000 0.307 27 T C 1.217 175.913 174.700 -0.007 0.000 1.059 27 T CA -0.069 62.008 62.100 -0.037 0.000 1.122 27 T CB 0.800 69.644 68.868 -0.040 0.000 0.972 27 T HN 0.596 nan 8.240 nan 0.000 0.545 28 E N 1.473 121.671 120.200 -0.004 0.000 2.048 28 E HA -0.248 4.102 4.350 -0.000 0.000 0.202 28 E C 1.999 178.610 176.600 0.018 0.000 1.021 28 E CA 1.854 58.259 56.400 0.008 0.000 0.825 28 E CB -0.035 29.669 29.700 0.006 0.000 0.756 28 E HN 0.730 nan 8.360 nan 0.000 0.454 29 E N 0.113 120.324 120.200 0.020 0.000 2.160 29 E HA -0.226 4.124 4.350 -0.000 0.000 0.195 29 E C 1.667 178.292 176.600 0.040 0.000 0.991 29 E CA 1.448 57.868 56.400 0.034 0.000 0.810 29 E CB 0.046 29.768 29.700 0.037 0.000 0.742 29 E HN 0.059 nan 8.360 nan 0.000 0.466 30 K N 0.527 120.946 120.400 0.031 0.000 2.002 30 K HA -0.107 4.213 4.320 -0.000 0.000 0.209 30 K C 2.124 178.749 176.600 0.042 0.000 1.048 30 K CA 1.265 57.574 56.287 0.035 0.000 0.930 30 K CB -0.730 31.785 32.500 0.025 0.000 0.714 30 K HN 0.263 nan 8.250 nan 0.000 0.438 31 I N 1.424 122.019 120.570 0.041 0.000 2.118 31 I HA -0.317 3.853 4.170 -0.000 0.000 0.241 31 I C 2.406 178.552 176.117 0.048 0.000 1.070 31 I CA 1.475 62.805 61.300 0.049 0.000 1.327 31 I CB -1.043 36.980 38.000 0.039 0.000 1.034 31 I HN 0.280 nan 8.210 nan 0.000 0.405 32 K N 1.049 121.474 120.400 0.042 0.000 2.113 32 K HA -0.208 4.112 4.320 -0.000 0.000 0.208 32 K C 2.212 178.837 176.600 0.042 0.000 1.047 32 K CA 1.810 58.123 56.287 0.044 0.000 0.928 32 K CB -0.045 32.482 32.500 0.046 0.000 0.716 32 K HN 0.334 nan 8.250 nan 0.000 0.446 33 A N 1.312 124.152 122.820 0.034 0.000 1.841 33 A HA -0.114 4.206 4.320 -0.000 0.000 0.214 33 A C 2.117 179.678 177.584 -0.038 0.000 1.195 33 A CA 1.504 53.537 52.037 -0.007 0.000 0.611 33 A CB -0.743 18.246 19.000 -0.019 0.000 0.835 33 A HN 0.321 nan 8.150 nan 0.000 0.443 34 L N -0.118 121.104 121.223 -0.002 0.000 2.081 34 L HA -0.203 4.137 4.340 -0.000 0.000 0.212 34 L C 2.461 179.372 176.870 0.069 0.000 1.080 34 L CA 1.255 56.112 54.840 0.028 0.000 0.754 34 L CB -1.138 40.974 42.059 0.087 0.000 0.893 34 L HN 0.233 nan 8.230 nan 0.000 0.433 35 V N -0.294 119.666 119.914 0.076 0.000 2.233 35 V HA -0.281 3.839 4.120 -0.000 0.000 0.247 35 V C 2.635 178.775 176.094 0.076 0.000 1.050 35 V CA 1.950 64.309 62.300 0.098 0.000 1.010 35 V CB -0.565 31.300 31.823 0.070 0.000 0.637 35 V HN 0.436 nan 8.190 nan 0.000 0.444 36 E N -0.226 119.998 120.200 0.040 0.000 2.118 36 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 36 E C 2.153 178.749 176.600 -0.007 0.000 0.992 36 E CA 1.686 58.101 56.400 0.025 0.000 0.804 36 E CB -0.208 29.509 29.700 0.028 0.000 0.741 36 E HN 0.631 nan 8.360 nan 0.000 0.458 37 I N 0.061 120.602 120.570 -0.049 0.000 2.163 37 I HA -0.311 3.859 4.170 -0.000 0.000 0.240 37 I C 2.636 178.708 176.117 -0.075 0.000 1.081 37 I CA 0.823 62.068 61.300 -0.093 0.000 1.353 37 I CB -0.384 37.522 38.000 -0.156 0.000 1.054 37 I HN 0.136 nan 8.210 nan 0.000 0.407 38 C N 0.093 119.365 119.300 -0.046 0.000 2.432 38 C HA -0.114 4.346 4.460 -0.000 0.000 0.280 38 C C 2.994 177.863 174.990 -0.201 0.000 1.353 38 C CA 1.105 60.031 59.018 -0.153 0.000 1.766 38 C CB -1.132 26.615 27.740 0.012 0.000 1.924 38 C HN 0.500 nan 8.230 nan 0.000 0.509 39 T N 0.071 114.618 114.554 -0.012 0.000 2.867 39 T HA -0.167 4.182 4.350 -0.000 0.000 0.268 39 T C 1.830 176.515 174.700 -0.024 0.000 1.057 39 T CA 1.489 63.607 62.100 0.030 0.000 1.136 39 T CB -0.195 68.714 68.868 0.068 0.000 0.874 39 T HN 0.700 nan 8.240 nan 0.000 0.466 40 E N 0.301 120.478 120.200 -0.038 0.000 2.076 40 E HA 0.000 4.350 4.350 -0.000 0.000 0.190 40 E C 2.087 178.648 176.600 -0.065 0.000 0.979 40 E CA 0.599 56.981 56.400 -0.029 0.000 0.807 40 E CB -0.070 29.625 29.700 -0.008 0.000 0.761 40 E HN 0.443 nan 8.360 nan 0.000 0.454 41 M N 0.592 120.118 119.600 -0.123 0.000 2.446 41 M HA -0.130 4.350 4.480 -0.000 0.000 0.263 41 M C 2.094 178.265 176.300 -0.216 0.000 1.066 41 M CA 1.109 56.295 55.300 -0.188 0.000 1.087 41 M CB -0.108 32.333 32.600 -0.264 0.000 1.406 41 M HN 0.176 nan 8.290 nan 0.000 0.459 42 E N 0.981 121.060 120.200 -0.202 0.000 2.086 42 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 42 E C 1.753 178.314 176.600 -0.065 0.000 0.975 42 E CA 0.880 57.191 56.400 -0.147 0.000 0.813 42 E CB 0.256 29.908 29.700 -0.080 0.000 0.768 42 E HN 0.415 nan 8.360 nan 0.000 0.457 43 K N 0.412 120.786 120.400 -0.043 0.000 2.097 43 K HA -0.087 4.233 4.320 -0.000 0.000 0.205 43 K C 1.169 177.756 176.600 -0.023 0.000 1.050 43 K CA 1.017 57.294 56.287 -0.018 0.000 0.938 43 K CB 0.068 32.566 32.500 -0.003 0.000 0.718 43 K HN 0.082 nan 8.250 nan 0.000 0.442 44 E N 0.347 120.523 120.200 -0.040 0.000 2.335 44 E HA 0.022 4.372 4.350 -0.000 0.000 0.191 44 E C 1.051 177.617 176.600 -0.058 0.000 1.150 44 E CA 0.387 56.765 56.400 -0.037 0.000 1.001 44 E CB -0.328 29.351 29.700 -0.036 0.000 1.127 44 E HN 0.477 nan 8.360 nan 0.000 0.462 45 G N 1.989 110.759 108.800 -0.051 0.000 2.249 45 G HA2 -0.461 3.498 3.960 -0.000 0.000 0.273 45 G HA3 -0.461 3.498 3.960 -0.000 0.000 0.273 45 G C 1.228 176.086 174.900 -0.070 0.000 0.995 45 G CA 1.435 46.508 45.100 -0.044 0.000 0.671 45 G HN 0.405 nan 8.290 nan 0.000 0.539 46 K N -0.238 120.080 120.400 -0.136 0.000 2.152 46 K HA 0.051 4.371 4.320 -0.000 0.000 0.206 46 K C 1.460 177.979 176.600 -0.136 0.000 1.048 46 K CA 1.525 57.689 56.287 -0.205 0.000 0.933 46 K CB -0.146 32.083 32.500 -0.453 0.000 0.721 46 K HN 0.842 nan 8.250 nan 0.000 0.447 47 I N -4.865 115.606 120.570 -0.165 0.000 3.095 47 I HA 0.455 4.625 4.170 -0.000 0.000 0.310 47 I C -1.122 174.949 176.117 -0.077 0.000 1.196 47 I CA -1.075 60.139 61.300 -0.142 0.000 0.985 47 I CB 2.564 40.383 38.000 -0.303 0.000 1.250 47 I HN -0.328 nan 8.210 nan 0.000 0.446 48 S N 1.965 117.680 115.700 0.025 0.000 2.543 48 S HA 0.394 4.864 4.470 -0.000 0.000 0.271 48 S C -1.025 173.657 174.600 0.137 0.000 1.148 48 S CA -0.807 57.447 58.200 0.089 0.000 0.914 48 S CB 1.330 64.551 63.200 0.035 0.000 1.096 48 S HN 0.594 nan 8.310 nan 0.000 0.471 49 K N 3.141 123.626 120.400 0.142 0.000 2.586 49 K HA 0.080 4.399 4.320 -0.000 0.000 0.280 49 K C 0.097 176.664 176.600 -0.054 0.000 0.972 49 K CA 0.735 57.001 56.287 -0.036 0.000 1.040 49 K CB -0.296 32.144 32.500 -0.100 0.000 0.870 49 K HN 0.625 nan 8.250 nan 0.000 0.497 50 I N -0.394 120.113 120.570 -0.106 0.000 2.750 50 I HA 0.396 4.566 4.170 -0.000 0.000 0.308 50 I C 0.931 176.999 176.117 -0.081 0.000 1.016 50 I CA -1.243 60.012 61.300 -0.076 0.000 1.098 50 I CB 1.852 39.810 38.000 -0.071 0.000 1.279 50 I HN 0.455 nan 8.210 nan 0.000 0.454 51 G N 1.962 110.728 108.800 -0.057 0.000 2.448 51 G HA2 0.466 4.426 3.960 -0.000 0.000 0.285 51 G HA3 0.466 4.426 3.960 -0.000 0.000 0.285 51 G C -2.250 172.619 174.900 -0.053 0.000 1.176 51 G CA -1.361 43.707 45.100 -0.054 0.000 0.852 51 G HN 0.524 nan 8.290 nan 0.000 0.530 52 P HA 0.046 nan 4.420 nan 0.000 0.235 52 P C 0.013 177.285 177.300 -0.047 0.000 1.670 52 P CA 0.481 63.549 63.100 -0.054 0.000 1.017 52 P CB 0.072 31.742 31.700 -0.050 0.000 1.945 53 E N 0.045 120.217 120.200 -0.047 0.000 2.629 53 E HA -0.021 4.328 4.350 -0.000 0.000 0.203 53 E C -0.093 176.471 176.600 -0.059 0.000 0.939 53 E CA -0.295 56.078 56.400 -0.046 0.000 1.439 53 E CB -0.554 29.130 29.700 -0.027 0.000 1.490 53 E HN 0.232 nan 8.360 nan 0.000 0.804 54 N N 3.439 122.111 118.700 -0.045 0.000 2.448 54 N HA 0.090 4.830 4.740 -0.000 0.000 0.250 54 N C -1.628 173.799 175.510 -0.138 0.000 1.136 54 N CA -1.189 51.847 53.050 -0.024 0.000 0.953 54 N CB 0.925 39.438 38.487 0.043 0.000 1.251 54 N HN -0.050 nan 8.380 nan 0.000 0.502 55 P HA 0.000 nan 4.420 nan 0.000 0.245 55 P C -0.731 176.313 177.300 -0.427 0.000 1.212 55 P CA 0.385 63.240 63.100 -0.409 0.000 0.774 55 P CB -0.157 31.246 31.700 -0.495 0.000 0.999 56 Y N 0.648 120.979 120.300 0.052 0.000 2.301 56 Y HA 0.452 5.002 4.550 -0.000 0.000 0.325 56 Y C 0.923 176.865 175.900 0.071 0.000 1.203 56 Y CA -0.373 57.783 58.100 0.093 0.000 1.255 56 Y CB 0.646 39.210 38.460 0.173 0.000 1.232 56 Y HN -0.131 nan 8.280 nan 0.000 0.501 57 N N -0.212 118.619 118.700 0.219 0.000 2.516 57 N HA 0.263 5.003 4.740 -0.000 0.000 0.268 57 N C -1.856 173.730 175.510 0.127 0.000 1.096 57 N CA -0.475 52.664 53.050 0.149 0.000 0.954 57 N CB 1.745 40.279 38.487 0.079 0.000 1.676 57 N HN 0.592 nan 8.380 nan 0.000 0.490 58 T N 2.317 116.934 114.554 0.105 0.000 2.861 58 T HA 0.655 5.005 4.350 -0.000 0.000 0.287 58 T C -2.877 171.807 174.700 -0.027 0.000 1.003 58 T CA -1.862 60.222 62.100 -0.026 0.000 0.977 58 T CB 1.315 70.038 68.868 -0.242 0.000 0.996 58 T HN 0.216 nan 8.240 nan 0.000 0.448 59 P HA 0.363 nan 4.420 nan 0.000 0.271 59 P C -1.294 175.984 177.300 -0.037 0.000 1.218 59 P CA -0.491 62.654 63.100 0.076 0.000 0.780 59 P CB 0.877 32.703 31.700 0.211 0.000 0.901 60 V N 4.439 124.452 119.914 0.164 0.000 2.709 60 V HA 0.646 4.766 4.120 -0.000 0.000 0.308 60 V C -1.469 174.914 176.094 0.482 0.000 1.062 60 V CA -0.538 61.821 62.300 0.098 0.000 0.901 60 V CB 0.734 32.625 31.823 0.114 0.000 1.003 60 V HN 0.232 nan 8.190 nan 0.000 0.425 61 F N 3.669 123.635 119.950 0.027 0.000 2.618 61 F HA 0.903 5.430 4.527 -0.000 0.000 0.332 61 F C 0.539 176.343 175.800 0.007 0.000 1.061 61 F CA -1.351 56.670 58.000 0.036 0.000 0.974 61 F CB 1.669 40.693 39.000 0.041 0.000 1.310 61 F HN 0.673 nan 8.300 nan 0.000 0.491 62 A N 1.340 124.296 122.820 0.226 0.000 2.304 62 A HA 0.804 5.124 4.320 -0.000 0.000 0.323 62 A C -0.953 176.698 177.584 0.112 0.000 1.195 62 A CA -0.622 51.483 52.037 0.113 0.000 0.826 62 A CB 0.924 19.965 19.000 0.069 0.000 1.184 62 A HN 0.808 nan 8.150 nan 0.000 0.496 63 I N 1.992 122.615 120.570 0.088 0.000 2.693 63 I HA 0.198 4.368 4.170 -0.000 0.000 0.271 63 I C -1.063 175.114 176.117 0.100 0.000 1.408 63 I CA -0.083 61.274 61.300 0.095 0.000 1.179 63 I CB 0.833 38.893 38.000 0.101 0.000 1.497 63 I HN 0.718 nan 8.210 nan 0.000 0.434 64 K N 5.958 126.455 120.400 0.162 0.000 3.010 64 K HA 0.331 4.651 4.320 -0.000 0.000 0.211 64 K C 0.596 177.368 176.600 0.286 0.000 1.146 64 K CA -0.319 56.147 56.287 0.298 0.000 1.070 64 K CB 0.572 33.375 32.500 0.505 0.000 0.908 64 K HN 0.419 nan 8.250 nan 0.000 0.463 65 K N 0.951 121.447 120.400 0.161 0.000 2.487 65 K HA -0.005 4.315 4.320 -0.000 0.000 0.192 65 K C 0.654 177.307 176.600 0.089 0.000 1.027 65 K CA 0.461 56.810 56.287 0.104 0.000 1.054 65 K CB 0.288 32.831 32.500 0.070 0.000 0.824 65 K HN 0.093 nan 8.250 nan 0.000 0.510 66 K N 1.028 121.500 120.400 0.120 0.000 2.240 66 K HA 0.062 4.382 4.320 -0.000 0.000 0.237 66 K C -0.747 175.921 176.600 0.114 0.000 1.027 66 K CA -0.733 55.610 56.287 0.093 0.000 0.937 66 K CB 0.752 33.299 32.500 0.078 0.000 1.171 66 K HN -0.108 nan 8.250 nan 0.000 0.479 67 D N 1.560 122.006 120.400 0.078 0.000 2.658 67 D HA -0.123 4.517 4.640 -0.000 0.000 0.230 67 D C 0.697 177.035 176.300 0.064 0.000 1.118 67 D CA 0.525 54.555 54.000 0.051 0.000 0.848 67 D CB 0.935 41.760 40.800 0.043 0.000 1.160 67 D HN 0.580 nan 8.370 nan 0.000 0.497 68 S N 1.991 117.657 115.700 -0.057 0.000 2.484 68 S HA -0.184 4.286 4.470 -0.000 0.000 0.250 68 S C 1.617 176.106 174.600 -0.185 0.000 0.995 68 S CA 2.010 60.074 58.200 -0.228 0.000 0.967 68 S CB 0.041 63.127 63.200 -0.191 0.000 0.752 68 S HN 0.683 nan 8.310 nan 0.000 0.517 69 T N -1.895 112.670 114.554 0.019 0.000 3.395 69 T HA 0.325 4.675 4.350 -0.000 0.000 0.230 69 T C 0.764 175.639 174.700 0.292 0.000 0.958 69 T CA 0.019 62.181 62.100 0.104 0.000 1.377 69 T CB -0.255 68.650 68.868 0.062 0.000 1.124 69 T HN -0.027 nan 8.240 nan 0.000 0.425 70 K N 2.473 123.012 120.400 0.232 0.000 2.403 70 K HA 0.227 4.547 4.320 -0.000 0.000 0.235 70 K C -0.866 175.878 176.600 0.240 0.000 1.142 70 K CA -1.015 55.411 56.287 0.231 0.000 1.114 70 K CB -0.583 31.986 32.500 0.114 0.000 1.777 70 K HN 0.607 nan 8.250 nan 0.000 0.424 71 W N 2.693 123.998 121.300 0.007 0.000 2.345 71 W HA 0.406 5.066 4.660 -0.000 0.000 0.308 71 W C -0.313 176.213 176.519 0.010 0.000 1.273 71 W CA -1.037 56.310 57.345 0.004 0.000 1.243 71 W CB -0.391 29.074 29.460 0.008 0.000 1.260 71 W HN 0.097 nan 8.180 nan 0.000 0.509 72 R N 2.392 122.865 120.500 -0.045 0.000 2.500 72 R HA 0.650 4.990 4.340 -0.000 0.000 0.277 72 R C 0.346 176.549 176.300 -0.160 0.000 1.026 72 R CA -0.604 55.413 56.100 -0.138 0.000 1.058 72 R CB 0.425 30.679 30.300 -0.077 0.000 1.078 72 R HN 0.533 nan 8.270 nan 0.000 0.509 73 K N 1.926 122.226 120.400 -0.167 0.000 2.159 73 K HA 0.488 4.808 4.320 -0.000 0.000 0.266 73 K C -1.032 175.512 176.600 -0.094 0.000 0.975 73 K CA -0.656 55.554 56.287 -0.129 0.000 0.865 73 K CB 1.171 33.583 32.500 -0.146 0.000 1.087 73 K HN 0.560 nan 8.250 nan 0.000 0.446 74 L N 1.323 122.497 121.223 -0.082 0.000 2.341 74 L HA 0.824 5.164 4.340 -0.000 0.000 0.267 74 L C -0.851 175.884 176.870 -0.225 0.000 1.009 74 L CA -0.723 54.043 54.840 -0.124 0.000 0.819 74 L CB 2.552 44.545 42.059 -0.109 0.000 1.323 74 L HN 0.491 nan 8.230 nan 0.000 0.425 75 V N 1.360 121.115 119.914 -0.264 0.000 2.914 75 V HA 0.502 4.622 4.120 -0.000 0.000 0.314 75 V C -1.324 174.499 176.094 -0.452 0.000 1.084 75 V CA -0.683 61.363 62.300 -0.423 0.000 0.963 75 V CB 1.894 33.439 31.823 -0.464 0.000 1.025 75 V HN 0.744 nan 8.190 nan 0.000 0.432 76 D N 1.186 121.250 120.400 -0.560 0.000 2.454 76 D HA 0.381 5.020 4.640 -0.000 0.000 0.247 76 D C -0.450 175.674 176.300 -0.293 0.000 1.129 76 D CA -0.391 53.392 54.000 -0.362 0.000 0.877 76 D CB 1.029 41.601 40.800 -0.380 0.000 1.082 76 D HN 0.341 nan 8.370 nan 0.000 0.537 77 F N 2.170 122.110 119.950 -0.018 0.000 2.645 77 F HA 0.303 4.830 4.527 -0.000 0.000 0.300 77 F C 2.189 178.022 175.800 0.056 0.000 1.115 77 F CA -0.352 57.679 58.000 0.052 0.000 1.355 77 F CB 0.210 39.276 39.000 0.109 0.000 1.026 77 F HN 0.208 nan 8.300 nan 0.000 0.536 78 R N 0.383 120.967 120.500 0.140 0.000 2.096 78 R HA -0.239 4.101 4.340 -0.000 0.000 0.240 78 R C 1.962 178.317 176.300 0.092 0.000 1.139 78 R CA 1.981 58.135 56.100 0.090 0.000 0.952 78 R CB -0.225 30.099 30.300 0.041 0.000 0.854 78 R HN 0.216 nan 8.270 nan 0.000 0.436 79 E N 0.537 120.789 120.200 0.087 0.000 2.072 79 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 79 E C 1.861 178.530 176.600 0.115 0.000 0.985 79 E CA 0.644 57.091 56.400 0.078 0.000 0.801 79 E CB -0.097 29.637 29.700 0.057 0.000 0.750 79 E HN 0.197 nan 8.360 nan 0.000 0.452 80 L N 0.679 122.019 121.223 0.195 0.000 1.989 80 L HA -0.272 4.068 4.340 -0.000 0.000 0.211 80 L C 1.741 178.748 176.870 0.228 0.000 1.071 80 L CA 1.614 56.602 54.840 0.247 0.000 0.749 80 L CB -0.453 41.879 42.059 0.455 0.000 0.890 80 L HN 0.241 nan 8.230 nan 0.000 0.431 81 N N 0.600 119.443 118.700 0.237 0.000 2.036 81 N HA -0.287 4.453 4.740 -0.000 0.000 0.195 81 N C 1.681 177.209 175.510 0.029 0.000 1.037 81 N CA 1.460 54.574 53.050 0.108 0.000 0.855 81 N CB -0.427 38.092 38.487 0.053 0.000 1.033 81 N HN 0.263 nan 8.380 nan 0.000 0.423 82 K N 0.692 121.115 120.400 0.038 0.000 2.304 82 K HA -0.145 4.175 4.320 -0.000 0.000 0.204 82 K C 1.094 177.702 176.600 0.013 0.000 1.044 82 K CA 1.281 57.576 56.287 0.013 0.000 0.932 82 K CB 0.117 32.631 32.500 0.024 0.000 0.735 82 K HN 0.281 nan 8.250 nan 0.000 0.468 83 R N -1.525 118.995 120.500 0.033 0.000 2.394 83 R HA 0.092 4.432 4.340 -0.000 0.000 0.220 83 R C 0.071 176.402 176.300 0.051 0.000 0.887 83 R CA 0.005 56.122 56.100 0.028 0.000 1.034 83 R CB 0.492 30.800 30.300 0.013 0.000 1.179 83 R HN -0.085 nan 8.270 nan 0.000 0.561 84 T N 3.651 118.255 114.554 0.084 0.000 2.751 84 T HA -0.072 4.277 4.350 -0.000 0.000 0.279 84 T C 0.228 174.916 174.700 -0.020 0.000 0.941 84 T CA 0.245 62.423 62.100 0.131 0.000 1.192 84 T CB 0.427 69.360 68.868 0.108 0.000 0.883 84 T HN 0.177 nan 8.240 nan 0.000 0.534 85 Q N 3.042 122.897 119.800 0.092 0.000 2.636 85 Q HA -0.163 4.176 4.340 -0.000 0.000 0.384 85 Q C -0.288 175.739 176.000 0.044 0.000 1.200 85 Q CA 0.380 56.250 55.803 0.112 0.000 1.120 85 Q CB 0.368 29.235 28.738 0.215 0.000 1.170 85 Q HN 0.549 nan 8.270 nan 0.000 0.445 86 D N 2.397 122.842 120.400 0.076 0.000 2.399 86 D HA 0.282 4.922 4.640 -0.000 0.000 0.241 86 D C -0.845 175.699 176.300 0.407 0.000 1.133 86 D CA 0.392 54.430 54.000 0.063 0.000 0.890 86 D CB 0.321 41.151 40.800 0.049 0.000 1.201 86 D HN 0.355 nan 8.370 nan 0.000 0.432 87 F N 0.545 120.444 119.950 -0.085 0.000 2.598 87 F HA 0.362 4.889 4.527 -0.000 0.000 0.327 87 F C -0.423 175.378 175.800 0.002 0.000 1.057 87 F CA -1.447 56.524 58.000 -0.048 0.000 0.957 87 F CB 1.403 40.331 39.000 -0.119 0.000 1.278 87 F HN 0.251 nan 8.300 nan 0.000 0.484 88 W N 3.146 124.512 121.300 0.110 0.000 2.311 88 W HA 0.266 4.926 4.660 -0.000 0.000 0.317 88 W C 0.902 177.444 176.519 0.038 0.000 1.065 88 W CA -0.383 56.984 57.345 0.038 0.000 1.364 88 W CB 0.614 30.071 29.460 -0.006 0.000 1.233 88 W HN 0.460 nan 8.180 nan 0.000 0.409 89 E N 3.265 123.369 120.200 -0.159 0.000 2.396 89 E HA -0.136 4.214 4.350 -0.000 0.000 0.200 89 E C 0.987 177.581 176.600 -0.010 0.000 1.023 89 E CA 0.674 57.020 56.400 -0.091 0.000 0.857 89 E CB -0.504 29.082 29.700 -0.190 0.000 0.775 89 E HN 0.362 nan 8.360 nan 0.000 0.525 90 V N 1.232 121.207 119.914 0.101 0.000 5.384 90 V HA -0.315 3.805 4.120 -0.000 0.000 0.326 90 V C -0.647 175.538 176.094 0.152 0.000 0.689 90 V CA 1.500 64.022 62.300 0.371 0.000 1.241 90 V CB -0.823 31.208 31.823 0.348 0.000 1.471 90 V HN 0.459 nan 8.190 nan 0.000 0.451 91 Q N 3.123 122.978 119.800 0.091 0.000 2.736 91 Q HA 0.404 4.744 4.340 -0.000 0.000 0.273 91 Q C -0.394 175.627 176.000 0.035 0.000 0.948 91 Q CA -0.491 55.349 55.803 0.062 0.000 0.854 91 Q CB 1.336 30.101 28.738 0.044 0.000 1.569 91 Q HN 0.465 nan 8.270 nan 0.000 0.405 92 L N 0.577 121.827 121.223 0.045 0.000 2.906 92 L HA 0.616 4.956 4.340 -0.000 0.000 0.255 92 L C 0.109 176.983 176.870 0.007 0.000 1.166 92 L CA 1.291 56.147 54.840 0.026 0.000 0.977 92 L CB 1.217 43.296 42.059 0.033 0.000 1.313 92 L HN 0.771 nan 8.230 nan 0.000 0.549 93 G N 0.101 108.911 108.800 0.016 0.000 2.347 93 G HA2 0.083 4.043 3.960 -0.000 0.000 0.341 93 G HA3 0.083 4.043 3.960 -0.000 0.000 0.341 93 G C -1.133 173.759 174.900 -0.013 0.000 1.287 93 G CA -0.406 44.697 45.100 0.005 0.000 0.984 93 G HN 0.319 nan 8.290 nan 0.000 0.526 94 I N -0.128 120.398 120.570 -0.073 0.000 2.325 94 I HA 0.525 4.695 4.170 -0.000 0.000 0.291 94 I C -1.799 174.191 176.117 -0.212 0.000 1.019 94 I CA -1.856 59.299 61.300 -0.241 0.000 1.302 94 I CB 0.858 38.679 38.000 -0.299 0.000 1.401 94 I HN 0.349 nan 8.210 nan 0.000 0.485 95 P HA -0.006 nan 4.420 nan 0.000 0.262 95 P C -0.692 176.450 177.300 -0.265 0.000 1.182 95 P CA 0.573 63.613 63.100 -0.099 0.000 0.761 95 P CB 0.462 32.267 31.700 0.174 0.000 0.795 96 H N 5.406 124.247 119.070 -0.381 0.000 2.469 96 H HA 0.197 4.753 4.556 -0.000 0.000 0.342 96 H C -1.629 173.277 175.328 -0.702 0.000 1.115 96 H CA -2.270 53.407 56.048 -0.619 0.000 1.204 96 H CB 2.084 31.497 29.762 -0.582 0.000 1.492 96 H HN 0.171 nan 8.280 nan 0.000 0.499 97 P HA -0.174 nan 4.420 nan 0.000 0.218 97 P C 0.987 178.022 177.300 -0.442 0.000 1.146 97 P CA 1.573 64.200 63.100 -0.788 0.000 0.813 97 P CB 0.015 30.874 31.700 -1.401 0.000 0.778 98 A N 0.077 122.778 122.820 -0.198 0.000 2.125 98 A HA 0.015 4.335 4.320 -0.000 0.000 0.219 98 A C 2.329 179.948 177.584 0.059 0.000 1.156 98 A CA 1.602 53.684 52.037 0.076 0.000 0.671 98 A CB -1.473 17.495 19.000 -0.054 0.000 0.794 98 A HN 0.361 nan 8.150 nan 0.000 0.459 99 G N -1.238 107.395 108.800 -0.279 0.000 3.088 99 G HA2 0.405 4.365 3.960 -0.000 0.000 0.217 99 G HA3 0.405 4.365 3.960 -0.000 0.000 0.217 99 G C 0.322 175.167 174.900 -0.091 0.000 1.159 99 G CA -0.340 44.595 45.100 -0.275 0.000 0.760 99 G HN 0.348 nan 8.290 nan 0.000 0.550 100 L N 1.867 122.968 121.223 -0.203 0.000 2.326 100 L HA 0.336 4.675 4.340 -0.000 0.000 0.278 100 L C 0.194 176.991 176.870 -0.121 0.000 1.092 100 L CA -0.795 53.827 54.840 -0.363 0.000 0.810 100 L CB 1.256 42.907 42.059 -0.680 0.000 1.153 100 L HN 0.068 nan 8.230 nan 0.000 0.439 101 K N 2.830 123.185 120.400 -0.074 0.000 2.107 101 K HA 0.206 4.526 4.320 -0.000 0.000 0.251 101 K C -0.374 176.227 176.600 0.002 0.000 1.012 101 K CA -0.753 55.541 56.287 0.013 0.000 0.920 101 K CB 1.046 33.558 32.500 0.019 0.000 1.033 101 K HN 0.388 nan 8.250 nan 0.000 0.478 102 K N 2.484 122.950 120.400 0.111 0.000 2.250 102 K HA 0.067 4.387 4.320 -0.000 0.000 0.285 102 K C -0.398 176.280 176.600 0.130 0.000 1.097 102 K CA -0.109 56.308 56.287 0.216 0.000 0.913 102 K CB 0.406 33.068 32.500 0.270 0.000 1.179 102 K HN 0.349 nan 8.250 nan 0.000 0.462 103 K N 2.844 123.312 120.400 0.114 0.000 2.419 103 K HA 0.191 4.511 4.320 -0.000 0.000 0.246 103 K C 0.534 177.185 176.600 0.085 0.000 1.037 103 K CA -0.651 55.686 56.287 0.083 0.000 0.982 103 K CB 0.990 33.528 32.500 0.064 0.000 1.283 103 K HN 0.377 nan 8.250 nan 0.000 0.500 104 K N 0.248 120.679 120.400 0.051 0.000 2.161 104 K HA 0.104 4.424 4.320 -0.000 0.000 0.205 104 K C 0.062 176.649 176.600 -0.023 0.000 1.035 104 K CA 0.521 56.828 56.287 0.034 0.000 0.970 104 K CB 0.445 32.966 32.500 0.034 0.000 0.866 104 K HN 0.313 nan 8.250 nan 0.000 0.461 105 S N 1.149 116.765 115.700 -0.139 0.000 2.456 105 S HA 0.384 4.854 4.470 -0.000 0.000 0.316 105 S C -0.794 173.459 174.600 -0.577 0.000 1.089 105 S CA -0.882 57.073 58.200 -0.408 0.000 1.101 105 S CB 1.927 64.704 63.200 -0.705 0.000 0.995 105 S HN 0.002 nan 8.310 nan 0.000 0.468 106 V N 2.503 122.214 119.914 -0.338 0.000 2.769 106 V HA 0.812 4.931 4.120 -0.000 0.000 0.312 106 V C 0.044 175.712 176.094 -0.709 0.000 1.058 106 V CA -0.637 61.329 62.300 -0.557 0.000 0.952 106 V CB 2.028 33.475 31.823 -0.625 0.000 1.019 106 V HN 0.842 nan 8.190 nan 0.000 0.445 107 T N 1.591 115.550 114.554 -0.991 0.000 3.097 107 T HA 0.487 4.837 4.350 -0.000 0.000 0.332 107 T C -1.130 173.098 174.700 -0.786 0.000 1.269 107 T CA -0.394 61.322 62.100 -0.641 0.000 1.076 107 T CB 1.866 70.653 68.868 -0.135 0.000 1.209 107 T HN 0.428 nan 8.240 nan 0.000 0.474 108 V N 4.470 124.087 119.914 -0.495 0.000 2.327 108 V HA 0.406 4.526 4.120 -0.000 0.000 0.272 108 V C -0.379 175.721 176.094 0.009 0.000 1.019 108 V CA -0.709 61.367 62.300 -0.374 0.000 0.814 108 V CB 0.489 31.914 31.823 -0.664 0.000 1.040 108 V HN 0.677 nan 8.190 nan 0.000 0.440 109 L N 3.351 124.583 121.223 0.015 0.000 2.399 109 L HA 0.698 5.038 4.340 -0.000 0.000 0.266 109 L C -0.066 176.887 176.870 0.139 0.000 1.114 109 L CA 0.007 54.904 54.840 0.096 0.000 0.804 109 L CB 0.715 42.797 42.059 0.038 0.000 1.146 109 L HN 0.410 nan 8.230 nan 0.000 0.451 110 D N -0.713 119.781 120.400 0.156 0.000 2.614 110 D HA 0.712 5.352 4.640 -0.000 0.000 0.264 110 D C -1.374 175.004 176.300 0.130 0.000 1.092 110 D CA -0.166 53.931 54.000 0.161 0.000 1.071 110 D CB 2.358 43.270 40.800 0.186 0.000 1.443 110 D HN 0.235 nan 8.370 nan 0.000 0.528 111 V N -0.447 119.543 119.914 0.127 0.000 2.488 111 V HA 0.784 4.904 4.120 -0.000 0.000 0.293 111 V C 0.499 176.649 176.094 0.094 0.000 1.027 111 V CA -1.154 61.219 62.300 0.123 0.000 0.862 111 V CB 1.112 33.039 31.823 0.173 0.000 1.008 111 V HN 0.558 nan 8.190 nan 0.000 0.428 112 G N 1.505 110.360 108.800 0.091 0.000 2.527 112 G HA2 0.430 4.390 3.960 -0.000 0.000 0.248 112 G HA3 0.430 4.390 3.960 -0.000 0.000 0.248 112 G C 0.105 175.059 174.900 0.089 0.000 1.231 112 G CA 0.037 45.181 45.100 0.074 0.000 0.838 112 G HN 0.952 nan 8.290 nan 0.000 0.570 113 D N -0.528 119.910 120.400 0.063 0.000 2.692 113 D HA -0.200 4.440 4.640 -0.000 0.000 0.233 113 D C 1.654 178.053 176.300 0.164 0.000 1.172 113 D CA 0.992 55.055 54.000 0.106 0.000 0.636 113 D CB -0.938 39.989 40.800 0.212 0.000 1.028 113 D HN 0.662 nan 8.370 nan 0.000 0.419 114 A N -0.294 122.563 122.820 0.061 0.000 1.837 114 A HA -0.250 4.069 4.320 -0.000 0.000 0.216 114 A C 1.773 179.380 177.584 0.039 0.000 1.210 114 A CA 1.779 53.773 52.037 -0.072 0.000 0.632 114 A CB -0.918 17.626 19.000 -0.761 0.000 0.843 114 A HN 0.429 nan 8.150 nan 0.000 0.448 115 Y N -1.580 118.617 120.300 -0.171 0.000 2.298 115 Y HA -0.167 4.382 4.550 -0.000 0.000 0.287 115 Y C 1.622 177.725 175.900 0.338 0.000 1.164 115 Y CA 0.900 59.041 58.100 0.068 0.000 1.229 115 Y CB -0.572 37.873 38.460 -0.024 0.000 0.977 115 Y HN 0.301 nan 8.280 nan 0.000 0.538 116 F N -0.992 119.076 119.950 0.196 0.000 2.676 116 F HA 0.099 4.626 4.527 -0.000 0.000 0.300 116 F C 1.358 177.246 175.800 0.146 0.000 1.160 116 F CA -0.236 57.855 58.000 0.152 0.000 1.401 116 F CB -0.369 38.702 39.000 0.118 0.000 1.037 116 F HN -0.081 nan 8.300 nan 0.000 0.522 117 S N -1.888 114.007 115.700 0.326 0.000 2.691 117 S HA 0.166 4.636 4.470 -0.000 0.000 0.258 117 S C 0.363 175.091 174.600 0.213 0.000 1.078 117 S CA -0.100 58.246 58.200 0.243 0.000 1.000 117 S CB 0.837 64.191 63.200 0.257 0.000 0.942 117 S HN -0.163 nan 8.310 nan 0.000 0.521 118 V N 6.013 126.076 119.914 0.248 0.000 2.408 118 V HA 0.279 4.399 4.120 -0.000 0.000 0.267 118 V C -2.387 173.802 176.094 0.158 0.000 1.047 118 V CA -1.890 60.523 62.300 0.189 0.000 0.937 118 V CB 0.698 32.645 31.823 0.208 0.000 0.999 118 V HN 0.193 nan 8.190 nan 0.000 0.472 119 P HA 0.063 nan 4.420 nan 0.000 0.268 119 P C -0.503 176.856 177.300 0.098 0.000 1.204 119 P CA -0.315 62.843 63.100 0.098 0.000 0.768 119 P CB 0.934 32.683 31.700 0.081 0.000 0.842 120 L N 3.130 124.404 121.223 0.085 0.000 2.395 120 L HA 0.289 4.629 4.340 -0.000 0.000 0.269 120 L C 0.362 177.286 176.870 0.091 0.000 1.133 120 L CA -0.398 54.487 54.840 0.076 0.000 0.812 120 L CB -0.258 41.807 42.059 0.009 0.000 1.125 120 L HN 0.270 nan 8.230 nan 0.000 0.452 121 D N 2.770 123.234 120.400 0.107 0.000 2.518 121 D HA -0.145 4.495 4.640 -0.000 0.000 0.270 121 D C 1.190 177.572 176.300 0.137 0.000 1.338 121 D CA 0.892 54.964 54.000 0.120 0.000 0.983 121 D CB 0.351 41.230 40.800 0.132 0.000 1.126 121 D HN 0.763 nan 8.370 nan 0.000 0.543 122 E N 2.946 123.196 120.200 0.084 0.000 2.136 122 E HA -0.306 4.044 4.350 -0.000 0.000 0.202 122 E C 1.210 177.835 176.600 0.042 0.000 1.019 122 E CA 1.511 57.943 56.400 0.054 0.000 0.819 122 E CB 0.075 29.797 29.700 0.038 0.000 0.739 122 E HN 0.626 nan 8.360 nan 0.000 0.458 123 D N -0.955 119.482 120.400 0.062 0.000 2.178 123 D HA -0.156 4.484 4.640 -0.000 0.000 0.201 123 D C 1.729 178.054 176.300 0.042 0.000 0.980 123 D CA 0.829 54.856 54.000 0.044 0.000 0.842 123 D CB -0.065 40.775 40.800 0.067 0.000 0.948 123 D HN 0.253 nan 8.370 nan 0.000 0.472 124 F N 1.678 121.601 119.950 -0.045 0.000 2.270 124 F HA 0.055 4.582 4.527 -0.000 0.000 0.295 124 F C 2.355 178.064 175.800 -0.152 0.000 1.087 124 F CA 0.616 58.597 58.000 -0.031 0.000 1.365 124 F CB -0.093 38.972 39.000 0.109 0.000 1.056 124 F HN -0.242 nan 8.300 nan 0.000 0.506 125 R N 1.101 121.579 120.500 -0.037 0.000 2.234 125 R HA -0.308 4.032 4.340 -0.000 0.000 0.262 125 R C 1.844 178.000 176.300 -0.239 0.000 1.150 125 R CA 2.317 58.352 56.100 -0.108 0.000 0.981 125 R CB -1.053 29.236 30.300 -0.019 0.000 0.899 125 R HN 0.435 nan 8.270 nan 0.000 0.458 126 K N -0.327 119.835 120.400 -0.396 0.000 2.699 126 K HA -0.155 4.165 4.320 -0.000 0.000 0.197 126 K C 0.093 176.399 176.600 -0.489 0.000 1.017 126 K CA 1.281 57.325 56.287 -0.404 0.000 1.006 126 K CB 0.082 32.294 32.500 -0.480 0.000 0.819 126 K HN 0.311 nan 8.250 nan 0.000 0.493 127 Y N 0.228 120.303 120.300 -0.375 0.000 2.527 127 Y HA 0.082 4.632 4.550 -0.000 0.000 0.247 127 Y C 1.381 177.230 175.900 -0.083 0.000 1.138 127 Y CA -0.084 57.789 58.100 -0.379 0.000 1.228 127 Y CB 0.803 38.780 38.460 -0.805 0.000 1.252 127 Y HN 0.257 nan 8.280 nan 0.000 0.531 128 T N -2.262 112.385 114.554 0.155 0.000 3.235 128 T HA 0.446 4.796 4.350 -0.000 0.000 0.251 128 T C 0.944 175.985 174.700 0.568 0.000 1.060 128 T CA 0.037 62.428 62.100 0.485 0.000 0.949 128 T CB -0.431 68.704 68.868 0.446 0.000 1.020 128 T HN 0.198 nan 8.240 nan 0.000 0.564 129 A N 2.385 125.411 122.820 0.344 0.000 2.526 129 A HA 0.448 4.768 4.320 -0.000 0.000 0.287 129 A C 0.091 177.833 177.584 0.264 0.000 1.232 129 A CA -0.500 51.680 52.037 0.238 0.000 0.900 129 A CB -1.472 17.629 19.000 0.168 0.000 1.077 129 A HN 0.749 nan 8.150 nan 0.000 0.535 130 F N 1.014 121.026 119.950 0.104 0.000 2.427 130 F HA 0.654 5.181 4.527 -0.000 0.000 0.346 130 F C 0.060 175.894 175.800 0.056 0.000 1.120 130 F CA -0.828 57.204 58.000 0.053 0.000 1.033 130 F CB 1.176 40.193 39.000 0.028 0.000 1.126 130 F HN 0.139 nan 8.300 nan 0.000 0.462 131 T N 6.442 121.052 114.554 0.094 0.000 2.738 131 T HA 0.277 4.627 4.350 -0.000 0.000 0.298 131 T C 0.096 174.857 174.700 0.102 0.000 0.962 131 T CA -0.386 61.709 62.100 -0.009 0.000 0.972 131 T CB 0.701 69.573 68.868 0.006 0.000 0.928 131 T HN 0.785 nan 8.240 nan 0.000 0.474 132 I N 5.979 126.599 120.570 0.084 0.000 2.389 132 I HA 0.225 4.394 4.170 -0.000 0.000 0.295 132 I C -2.167 173.998 176.117 0.081 0.000 1.117 132 I CA -2.464 58.934 61.300 0.163 0.000 1.317 132 I CB 0.641 38.763 38.000 0.203 0.000 1.431 132 I HN 0.327 nan 8.210 nan 0.000 0.521 133 P HA -0.067 nan 4.420 nan 0.000 0.259 133 P C -0.468 176.858 177.300 0.044 0.000 1.163 133 P CA 0.290 63.431 63.100 0.069 0.000 0.760 133 P CB 0.278 32.033 31.700 0.093 0.000 0.762 134 S N 3.417 119.129 115.700 0.021 0.000 2.632 134 S HA 0.384 4.854 4.470 -0.000 0.000 0.267 134 S C 0.477 175.086 174.600 0.015 0.000 1.276 134 S CA -0.824 57.381 58.200 0.009 0.000 0.998 134 S CB 0.302 63.497 63.200 -0.008 0.000 0.953 134 S HN 0.258 nan 8.310 nan 0.000 0.547 135 I N 2.113 122.690 120.570 0.011 0.000 2.892 135 I HA -0.026 4.144 4.170 -0.000 0.000 0.287 135 I C 2.137 178.258 176.117 0.008 0.000 1.205 135 I CA -0.306 61.000 61.300 0.010 0.000 1.409 135 I CB -0.018 37.986 38.000 0.008 0.000 1.367 135 I HN 0.743 nan 8.210 nan 0.000 0.597 136 N N 3.610 122.314 118.700 0.008 0.000 2.073 136 N HA -0.283 4.457 4.740 -0.000 0.000 0.199 136 N C 1.476 176.988 175.510 0.004 0.000 1.023 136 N CA 2.303 55.357 53.050 0.007 0.000 0.880 136 N CB -0.351 38.138 38.487 0.004 0.000 1.052 136 N HN 0.667 nan 8.380 nan 0.000 0.449 137 N N 0.681 119.382 118.700 0.002 0.000 2.011 137 N HA -0.198 4.542 4.740 -0.000 0.000 0.199 137 N C 0.338 175.846 175.510 -0.003 0.000 1.047 137 N CA 0.753 53.802 53.050 -0.001 0.000 0.863 137 N CB -0.092 38.395 38.487 -0.001 0.000 1.056 137 N HN 0.348 nan 8.380 nan 0.000 0.427 138 E N 0.387 120.584 120.200 -0.005 0.000 2.292 138 E HA -0.036 4.313 4.350 -0.000 0.000 0.265 138 E C 0.262 176.856 176.600 -0.010 0.000 1.093 138 E CA -0.111 56.283 56.400 -0.010 0.000 0.922 138 E CB 0.828 30.520 29.700 -0.013 0.000 1.001 138 E HN 0.240 nan 8.360 nan 0.000 0.444 139 T N 4.857 119.404 114.554 -0.012 0.000 2.737 139 T HA -0.018 4.332 4.350 -0.000 0.000 0.265 139 T C -1.596 173.093 174.700 -0.018 0.000 1.038 139 T CA 0.654 62.747 62.100 -0.012 0.000 1.144 139 T CB -0.333 68.527 68.868 -0.012 0.000 0.866 139 T HN 0.567 nan 8.240 nan 0.000 0.434 140 P HA 0.469 nan 4.420 nan 0.000 0.290 140 P C -0.148 177.126 177.300 -0.044 0.000 1.276 140 P CA -0.214 62.864 63.100 -0.037 0.000 0.808 140 P CB 1.483 33.157 31.700 -0.043 0.000 0.966 141 G N 2.025 110.795 108.800 -0.050 0.000 2.535 141 G HA2 0.529 4.489 3.960 -0.000 0.000 0.303 141 G HA3 0.529 4.489 3.960 -0.000 0.000 0.303 141 G C -0.434 174.401 174.900 -0.109 0.000 1.237 141 G CA -0.946 44.118 45.100 -0.059 0.000 0.986 141 G HN 0.491 nan 8.290 nan 0.000 0.494 142 I N 1.333 121.823 120.570 -0.135 0.000 2.297 142 I HA 0.292 4.462 4.170 -0.000 0.000 0.291 142 I C -0.037 175.851 176.117 -0.382 0.000 1.033 142 I CA -0.688 60.457 61.300 -0.259 0.000 1.253 142 I CB 1.010 38.861 38.000 -0.249 0.000 1.396 142 I HN 0.109 nan 8.210 nan 0.000 0.476 143 R N 6.238 126.471 120.500 -0.445 0.000 2.428 143 R HA 0.595 4.935 4.340 -0.000 0.000 0.294 143 R C -1.244 174.642 176.300 -0.690 0.000 1.000 143 R CA -0.679 55.141 56.100 -0.468 0.000 0.960 143 R CB 1.442 31.578 30.300 -0.273 0.000 1.076 143 R HN 0.488 nan 8.270 nan 0.000 0.475 144 Y N 0.039 119.938 120.300 -0.668 0.000 2.571 144 Y HA 0.220 4.770 4.550 -0.000 0.000 0.341 144 Y C -0.184 175.397 175.900 -0.532 0.000 1.076 144 Y CA -1.041 56.629 58.100 -0.717 0.000 1.029 144 Y CB 2.744 40.474 38.460 -1.217 0.000 1.308 144 Y HN 0.458 nan 8.280 nan 0.000 0.461 145 Q N 1.393 121.190 119.800 -0.004 0.000 2.347 145 Q HA 0.477 4.817 4.340 -0.000 0.000 0.271 145 Q C -2.044 174.043 176.000 0.144 0.000 1.064 145 Q CA -0.990 54.882 55.803 0.114 0.000 0.800 145 Q CB 2.108 30.883 28.738 0.061 0.000 1.304 145 Q HN 0.664 nan 8.270 nan 0.000 0.438 146 Y N 1.843 122.258 120.300 0.191 0.000 2.480 146 Y HA 0.088 4.638 4.550 -0.000 0.000 0.338 146 Y C 1.037 176.937 175.900 0.001 0.000 1.220 146 Y CA 0.488 58.636 58.100 0.079 0.000 1.430 146 Y CB 0.776 39.261 38.460 0.042 0.000 1.311 146 Y HN 0.770 nan 8.280 nan 0.000 0.575 147 N N 0.508 119.308 118.700 0.167 0.000 2.257 147 N HA 0.054 4.794 4.740 -0.000 0.000 0.200 147 N C -0.015 175.540 175.510 0.075 0.000 1.163 147 N CA 0.437 53.537 53.050 0.084 0.000 0.891 147 N CB 0.703 39.215 38.487 0.042 0.000 1.067 147 N HN 0.416 nan 8.380 nan 0.000 0.497 148 V N -1.446 118.519 119.914 0.085 0.000 3.547 148 V HA 0.514 4.634 4.120 -0.000 0.000 0.289 148 V C 0.302 176.432 176.094 0.060 0.000 1.226 148 V CA -0.860 61.493 62.300 0.089 0.000 0.966 148 V CB 0.590 32.470 31.823 0.094 0.000 1.255 148 V HN -0.159 nan 8.190 nan 0.000 0.466 149 L N 2.042 123.351 121.223 0.143 0.000 2.261 149 L HA 0.449 4.789 4.340 -0.000 0.000 0.289 149 L C -2.418 174.498 176.870 0.077 0.000 1.059 149 L CA -1.429 53.495 54.840 0.140 0.000 0.816 149 L CB 1.066 43.343 42.059 0.363 0.000 1.191 149 L HN 0.484 nan 8.230 nan 0.000 0.431 150 P HA 0.090 nan 4.420 nan 0.000 0.271 150 P C -0.968 176.211 177.300 -0.201 0.000 1.220 150 P CA -0.458 62.287 63.100 -0.592 0.000 0.768 150 P CB 0.601 31.459 31.700 -1.403 0.000 0.848 151 Q N 1.921 121.632 119.800 -0.148 0.000 2.361 151 Q HA 0.414 4.753 4.340 -0.000 0.000 0.276 151 Q C 1.553 177.489 176.000 -0.106 0.000 1.022 151 Q CA 0.895 56.533 55.803 -0.275 0.000 0.898 151 Q CB -0.268 28.225 28.738 -0.408 0.000 1.246 151 Q HN 0.773 nan 8.270 nan 0.000 0.410 152 G N -0.135 108.612 108.800 -0.089 0.000 2.254 152 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.225 152 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.225 152 G C -0.561 174.409 174.900 0.117 0.000 1.003 152 G CA -0.272 44.848 45.100 0.032 0.000 0.622 152 G HN 0.621 nan 8.290 nan 0.000 0.507 153 W N 3.949 125.139 121.300 -0.183 0.000 2.218 153 W HA 0.550 5.210 4.660 -0.000 0.000 0.326 153 W C 1.782 178.210 176.519 -0.152 0.000 1.276 153 W CA -0.151 57.062 57.345 -0.219 0.000 1.210 153 W CB 0.795 30.050 29.460 -0.342 0.000 1.143 153 W HN 0.302 nan 8.180 nan 0.000 0.563 154 K N 2.752 122.825 120.400 -0.544 0.000 2.032 154 K HA -0.097 4.223 4.320 -0.000 0.000 0.209 154 K C 1.517 177.645 176.600 -0.786 0.000 1.048 154 K CA 1.722 57.638 56.287 -0.618 0.000 0.927 154 K CB -0.916 31.211 32.500 -0.623 0.000 0.712 154 K HN 0.623 nan 8.250 nan 0.000 0.441 155 G N 0.767 108.710 108.800 -1.429 0.000 3.124 155 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.212 155 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.212 155 G C 1.151 175.852 174.900 -0.333 0.000 1.181 155 G CA 0.147 44.674 45.100 -0.956 0.000 0.803 155 G HN 0.383 nan 8.290 nan 0.000 0.529 156 S N 1.496 117.141 115.700 -0.093 0.000 2.355 156 S HA -0.023 4.447 4.470 -0.000 0.000 0.222 156 S C 0.734 175.521 174.600 0.310 0.000 1.031 156 S CA 1.331 59.763 58.200 0.386 0.000 0.993 156 S CB -0.252 63.289 63.200 0.569 0.000 0.859 156 S HN 0.373 nan 8.310 nan 0.000 0.453 157 P HA 0.158 nan 4.420 nan 0.000 0.231 157 P C 1.069 178.407 177.300 0.063 0.000 1.168 157 P CA 0.961 64.146 63.100 0.142 0.000 0.779 157 P CB 0.005 31.800 31.700 0.158 0.000 0.844 158 A N 1.270 124.135 122.820 0.075 0.000 1.838 158 A HA -0.063 4.257 4.320 -0.000 0.000 0.215 158 A C 2.134 179.760 177.584 0.071 0.000 1.273 158 A CA 1.111 53.198 52.037 0.084 0.000 0.602 158 A CB -1.475 17.635 19.000 0.184 0.000 0.934 158 A HN -0.060 nan 8.150 nan 0.000 0.461 159 I N -0.532 120.093 120.570 0.092 0.000 2.290 159 I HA -0.279 3.890 4.170 -0.000 0.000 0.253 159 I C 2.295 178.433 176.117 0.036 0.000 1.112 159 I CA 1.569 62.899 61.300 0.050 0.000 1.377 159 I CB -1.829 36.252 38.000 0.136 0.000 1.060 159 I HN 0.458 nan 8.210 nan 0.000 0.428 160 F N 1.651 121.546 119.950 -0.093 0.000 2.075 160 F HA -0.221 4.306 4.527 -0.000 0.000 0.297 160 F C 2.678 178.385 175.800 -0.154 0.000 1.113 160 F CA 1.731 59.623 58.000 -0.181 0.000 1.218 160 F CB -0.376 38.374 39.000 -0.417 0.000 0.984 160 F HN 0.086 nan 8.300 nan 0.000 0.472 161 Q N -0.342 119.451 119.800 -0.012 0.000 1.956 161 Q HA -0.286 4.053 4.340 -0.000 0.000 0.208 161 Q C 2.425 178.311 176.000 -0.190 0.000 0.998 161 Q CA 2.253 58.001 55.803 -0.092 0.000 0.855 161 Q CB -0.972 27.759 28.738 -0.013 0.000 0.928 161 Q HN 0.426 nan 8.270 nan 0.000 0.418 162 S N -0.179 115.447 115.700 -0.123 0.000 2.409 162 S HA -0.247 4.223 4.470 -0.000 0.000 0.237 162 S C 1.944 176.425 174.600 -0.199 0.000 1.060 162 S CA 1.810 59.930 58.200 -0.133 0.000 1.052 162 S CB -0.173 62.966 63.200 -0.102 0.000 0.871 162 S HN 0.350 nan 8.310 nan 0.000 0.465 163 S N 0.812 116.352 115.700 -0.266 0.000 2.336 163 S HA 0.090 4.560 4.470 -0.000 0.000 0.216 163 S C 1.894 176.229 174.600 -0.442 0.000 1.032 163 S CA 1.039 59.042 58.200 -0.328 0.000 0.973 163 S CB -0.407 62.597 63.200 -0.327 0.000 0.888 163 S HN 0.433 nan 8.310 nan 0.000 0.455 164 M N 2.438 121.650 119.600 -0.647 0.000 2.149 164 M HA -0.127 4.353 4.480 -0.000 0.000 0.261 164 M C 2.367 178.456 176.300 -0.351 0.000 1.064 164 M CA 1.925 56.875 55.300 -0.583 0.000 1.102 164 M CB -1.562 30.619 32.600 -0.698 0.000 1.369 164 M HN 0.587 nan 8.290 nan 0.000 0.408 165 T N -2.214 112.170 114.554 -0.284 0.000 2.821 165 T HA -0.149 4.201 4.350 -0.000 0.000 0.267 165 T C 1.876 176.438 174.700 -0.230 0.000 1.046 165 T CA 1.202 63.179 62.100 -0.205 0.000 1.139 165 T CB -0.283 68.494 68.868 -0.152 0.000 0.871 165 T HN 0.387 nan 8.240 nan 0.000 0.454 166 K N 0.948 121.184 120.400 -0.273 0.000 2.002 166 K HA 0.082 4.402 4.320 -0.000 0.000 0.209 166 K C 2.266 178.622 176.600 -0.406 0.000 1.048 166 K CA 1.636 57.744 56.287 -0.298 0.000 0.930 166 K CB -0.476 31.837 32.500 -0.312 0.000 0.714 166 K HN 0.398 nan 8.250 nan 0.000 0.438 167 I N 1.347 121.599 120.570 -0.530 0.000 2.530 167 I HA -0.274 3.896 4.170 -0.000 0.000 0.257 167 I C 2.011 177.848 176.117 -0.467 0.000 1.179 167 I CA 1.030 61.918 61.300 -0.688 0.000 1.440 167 I CB -0.248 37.383 38.000 -0.616 0.000 1.087 167 I HN 0.141 nan 8.210 nan 0.000 0.440 168 L N 0.037 121.055 121.223 -0.342 0.000 2.202 168 L HA -0.091 4.249 4.340 -0.000 0.000 0.205 168 L C 2.591 179.363 176.870 -0.163 0.000 1.083 168 L CA 0.788 55.474 54.840 -0.257 0.000 0.790 168 L CB -0.430 41.519 42.059 -0.183 0.000 0.942 168 L HN 0.255 nan 8.230 nan 0.000 0.452 169 E N 1.142 121.249 120.200 -0.154 0.000 2.065 169 E HA -0.245 4.104 4.350 -0.000 0.000 0.201 169 E C -0.650 175.912 176.600 -0.063 0.000 1.016 169 E CA 2.030 58.371 56.400 -0.098 0.000 0.818 169 E CB -0.747 28.891 29.700 -0.103 0.000 0.749 169 E HN 0.282 nan 8.360 nan 0.000 0.453 170 P HA -0.182 nan 4.420 nan 0.000 0.218 170 P C 1.408 178.751 177.300 0.072 0.000 1.148 170 P CA 1.217 64.352 63.100 0.058 0.000 0.822 170 P CB -0.271 31.546 31.700 0.195 0.000 0.784 171 F N 1.027 120.851 119.950 -0.209 0.000 2.270 171 F HA 0.096 4.623 4.527 -0.000 0.000 0.295 171 F C 2.220 177.950 175.800 -0.115 0.000 1.087 171 F CA 1.109 58.992 58.000 -0.194 0.000 1.365 171 F CB -0.285 38.448 39.000 -0.446 0.000 1.056 171 F HN -0.291 nan 8.300 nan 0.000 0.506 172 K N 0.410 120.808 120.400 -0.002 0.000 2.025 172 K HA -0.192 4.128 4.320 -0.000 0.000 0.207 172 K C 2.049 178.573 176.600 -0.126 0.000 1.049 172 K CA 1.519 57.775 56.287 -0.052 0.000 0.933 172 K CB -0.218 32.282 32.500 -0.001 0.000 0.714 172 K HN -0.010 nan 8.250 nan 0.000 0.438 173 K N 1.103 121.447 120.400 -0.093 0.000 2.281 173 K HA -0.184 4.136 4.320 -0.000 0.000 0.203 173 K C 1.675 178.210 176.600 -0.108 0.000 1.046 173 K CA 1.408 57.647 56.287 -0.081 0.000 0.938 173 K CB 0.059 32.528 32.500 -0.052 0.000 0.737 173 K HN -0.052 nan 8.250 nan 0.000 0.458 174 Q N 0.430 120.132 119.800 -0.164 0.000 2.365 174 Q HA 0.115 4.454 4.340 -0.000 0.000 0.203 174 Q C -0.916 174.942 176.000 -0.238 0.000 0.929 174 Q CA 0.352 56.046 55.803 -0.182 0.000 0.948 174 Q CB 0.091 28.726 28.738 -0.172 0.000 1.043 174 Q HN 0.606 nan 8.270 nan 0.000 0.505 175 N N -3.687 114.860 118.700 -0.255 0.000 2.861 175 N HA 0.072 4.812 4.740 -0.000 0.000 0.203 175 N C -2.541 172.879 175.510 -0.150 0.000 1.339 175 N CA -0.647 52.270 53.050 -0.222 0.000 1.208 175 N CB 0.439 38.732 38.487 -0.323 0.000 1.579 175 N HN -0.139 nan 8.380 nan 0.000 0.583 176 P HA -0.194 nan 4.420 nan 0.000 0.228 176 P C 0.444 177.727 177.300 -0.028 0.000 1.143 176 P CA 1.196 64.263 63.100 -0.055 0.000 0.771 176 P CB 0.059 31.733 31.700 -0.044 0.000 0.764 177 D N -0.959 119.422 120.400 -0.031 0.000 2.327 177 D HA -0.029 4.611 4.640 -0.000 0.000 0.205 177 D C 0.558 176.869 176.300 0.018 0.000 0.989 177 D CA 0.137 54.135 54.000 -0.004 0.000 0.873 177 D CB -0.165 40.631 40.800 -0.007 0.000 0.955 177 D HN 0.164 nan 8.370 nan 0.000 0.515 178 I N 2.067 122.646 120.570 0.014 0.000 2.325 178 I HA 0.081 4.251 4.170 -0.000 0.000 0.291 178 I C 0.092 176.259 176.117 0.083 0.000 1.019 178 I CA -0.865 60.465 61.300 0.050 0.000 1.302 178 I CB 1.800 39.837 38.000 0.062 0.000 1.401 178 I HN -0.271 nan 8.210 nan 0.000 0.485 179 V N 7.544 127.521 119.914 0.106 0.000 2.555 179 V HA 0.295 4.415 4.120 -0.000 0.000 0.286 179 V C 0.314 176.505 176.094 0.161 0.000 1.044 179 V CA -0.196 62.184 62.300 0.135 0.000 1.026 179 V CB 0.697 32.627 31.823 0.178 0.000 0.981 179 V HN 0.474 nan 8.190 nan 0.000 0.480 180 I N 5.141 125.785 120.570 0.124 0.000 2.521 180 I HA 0.312 4.482 4.170 -0.000 0.000 0.277 180 I C -1.222 174.938 176.117 0.070 0.000 1.054 180 I CA -0.444 60.919 61.300 0.106 0.000 1.117 180 I CB 1.034 39.061 38.000 0.045 0.000 1.217 180 I HN 0.472 nan 8.210 nan 0.000 0.469 181 Y N 5.572 125.856 120.300 -0.026 0.000 2.383 181 Y HA 0.263 4.813 4.550 -0.000 0.000 0.344 181 Y C 0.514 176.468 175.900 0.091 0.000 0.986 181 Y CA -0.244 57.818 58.100 -0.063 0.000 1.175 181 Y CB 1.109 39.351 38.460 -0.363 0.000 1.152 181 Y HN 0.494 nan 8.280 nan 0.000 0.511 182 Q N 3.495 123.400 119.800 0.176 0.000 2.274 182 Q HA 0.470 4.810 4.340 -0.000 0.000 0.260 182 Q C -1.865 174.355 176.000 0.366 0.000 0.974 182 Q CA -1.032 54.909 55.803 0.231 0.000 0.876 182 Q CB 2.387 31.181 28.738 0.094 0.000 1.297 182 Q HN 0.790 nan 8.270 nan 0.000 0.446 183 Y N 4.204 124.630 120.300 0.210 0.000 2.325 183 Y HA 0.194 4.744 4.550 -0.000 0.000 0.336 183 Y C -0.391 175.601 175.900 0.153 0.000 1.130 183 Y CA -0.672 57.528 58.100 0.168 0.000 1.264 183 Y CB 0.897 39.458 38.460 0.168 0.000 1.128 183 Y HN 0.910 nan 8.280 nan 0.000 0.469 184 M N 0.535 120.058 119.600 -0.129 0.000 7.319 184 M HA -0.358 4.122 4.480 -0.000 0.000 0.282 184 M C 0.426 176.800 176.300 0.125 0.000 0.480 184 M CA 2.513 57.769 55.300 -0.073 0.000 1.311 184 M CB -1.546 30.896 32.600 -0.263 0.000 0.421 184 M HN 0.721 nan 8.290 nan 0.000 0.424 185 D N 0.130 120.560 120.400 0.050 0.000 2.623 185 D HA 0.458 5.098 4.640 -0.000 0.000 0.252 185 D C -0.858 175.541 176.300 0.166 0.000 1.294 185 D CA -0.047 54.015 54.000 0.105 0.000 0.824 185 D CB -0.203 40.591 40.800 -0.010 0.000 1.070 185 D HN 0.519 nan 8.370 nan 0.000 0.487 186 D N 0.760 121.295 120.400 0.226 0.000 2.462 186 D HA 0.303 4.942 4.640 -0.000 0.000 0.245 186 D C -0.714 175.770 176.300 0.307 0.000 1.122 186 D CA -0.345 53.833 54.000 0.297 0.000 0.864 186 D CB 1.661 42.700 40.800 0.398 0.000 1.098 186 D HN -0.007 nan 8.370 nan 0.000 0.541 187 L N 3.741 125.088 121.223 0.208 0.000 2.265 187 L HA 0.383 4.723 4.340 -0.000 0.000 0.289 187 L C -0.977 175.945 176.870 0.087 0.000 1.033 187 L CA -0.904 54.022 54.840 0.143 0.000 0.814 187 L CB 0.865 42.961 42.059 0.062 0.000 1.203 187 L HN 0.454 nan 8.230 nan 0.000 0.423 188 Y N 5.344 125.581 120.300 -0.105 0.000 2.341 188 Y HA 0.606 5.156 4.550 -0.000 0.000 0.337 188 Y C -0.642 175.113 175.900 -0.241 0.000 1.014 188 Y CA -0.844 57.051 58.100 -0.343 0.000 1.111 188 Y CB 1.500 39.491 38.460 -0.781 0.000 1.194 188 Y HN 0.287 nan 8.280 nan 0.000 0.462 189 V N 2.749 122.471 119.914 -0.321 0.000 2.888 189 V HA 1.043 5.163 4.120 -0.000 0.000 0.309 189 V C -0.560 175.384 176.094 -0.248 0.000 1.114 189 V CA -0.314 61.912 62.300 -0.124 0.000 0.940 189 V CB 1.288 33.058 31.823 -0.087 0.000 1.021 189 V HN 1.119 nan 8.190 nan 0.000 0.426 190 G N 1.506 110.320 108.800 0.023 0.000 2.667 190 G HA2 0.860 4.819 3.960 -0.000 0.000 0.294 190 G HA3 0.860 4.819 3.960 -0.000 0.000 0.294 190 G C -0.968 174.093 174.900 0.269 0.000 1.467 190 G CA 0.065 45.264 45.100 0.165 0.000 0.852 190 G HN 1.974 nan 8.290 nan 0.000 0.521 191 S N -0.820 115.134 115.700 0.423 0.000 2.636 191 S HA 0.499 4.969 4.470 -0.000 0.000 0.268 191 S C -0.002 174.723 174.600 0.208 0.000 1.159 191 S CA 0.028 58.363 58.200 0.225 0.000 0.815 191 S CB 1.628 64.904 63.200 0.127 0.000 1.130 191 S HN 0.851 nan 8.310 nan 0.000 0.471 192 D N 0.364 120.841 120.400 0.128 0.000 2.392 192 D HA 0.060 4.699 4.640 -0.000 0.000 0.228 192 D C 0.584 176.950 176.300 0.110 0.000 1.003 192 D CA 0.067 54.125 54.000 0.097 0.000 0.917 192 D CB -0.293 40.545 40.800 0.064 0.000 0.890 192 D HN 0.362 nan 8.370 nan 0.000 0.532 193 L N 1.182 122.512 121.223 0.178 0.000 2.461 193 L HA 0.122 4.462 4.340 -0.000 0.000 0.272 193 L C 1.065 178.032 176.870 0.161 0.000 1.197 193 L CA 0.053 54.996 54.840 0.171 0.000 0.836 193 L CB 0.174 42.345 42.059 0.187 0.000 1.105 193 L HN 0.297 nan 8.230 nan 0.000 0.477 194 E N 1.722 121.987 120.200 0.108 0.000 2.437 194 E HA -0.065 4.285 4.350 -0.000 0.000 0.263 194 E C 1.262 177.920 176.600 0.098 0.000 1.030 194 E CA -0.372 56.076 56.400 0.079 0.000 0.934 194 E CB 0.798 30.535 29.700 0.062 0.000 0.943 194 E HN 0.513 nan 8.360 nan 0.000 0.444 195 I N 2.624 123.226 120.570 0.052 0.000 2.290 195 I HA -0.201 3.969 4.170 -0.000 0.000 0.253 195 I C 1.607 177.780 176.117 0.094 0.000 1.112 195 I CA 2.154 63.480 61.300 0.044 0.000 1.377 195 I CB -0.587 37.427 38.000 0.023 0.000 1.060 195 I HN 0.547 nan 8.210 nan 0.000 0.428 196 G N -0.048 108.803 108.800 0.084 0.000 2.473 196 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.212 196 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.212 196 G C 1.545 176.504 174.900 0.099 0.000 1.211 196 G CA 0.685 45.834 45.100 0.082 0.000 0.813 196 G HN 0.493 nan 8.290 nan 0.000 0.541 197 Q N -0.414 119.441 119.800 0.092 0.000 2.268 197 Q HA -0.216 4.124 4.340 -0.000 0.000 0.210 197 Q C 2.091 178.155 176.000 0.107 0.000 0.988 197 Q CA 1.687 57.540 55.803 0.084 0.000 0.883 197 Q CB -0.429 28.352 28.738 0.072 0.000 0.911 197 Q HN 0.708 nan 8.270 nan 0.000 0.430 198 H N -0.698 118.395 119.070 0.038 0.000 2.333 198 H HA -0.023 4.533 4.556 -0.000 0.000 0.302 198 H C 1.882 177.236 175.328 0.043 0.000 1.075 198 H CA 1.627 57.697 56.048 0.038 0.000 1.348 198 H CB 0.352 30.132 29.762 0.030 0.000 1.393 198 H HN 0.141 nan 8.280 nan 0.000 0.509 199 R N -0.125 120.483 120.500 0.180 0.000 2.115 199 R HA -0.044 4.296 4.340 -0.000 0.000 0.230 199 R C 2.187 178.529 176.300 0.070 0.000 1.111 199 R CA 1.407 57.577 56.100 0.117 0.000 0.976 199 R CB -0.184 30.182 30.300 0.109 0.000 0.870 199 R HN 0.205 nan 8.270 nan 0.000 0.445 200 T N 0.418 115.012 114.554 0.066 0.000 3.098 200 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 200 T C 1.299 176.031 174.700 0.052 0.000 1.145 200 T CA 0.823 62.955 62.100 0.055 0.000 1.092 200 T CB 0.032 68.930 68.868 0.051 0.000 0.908 200 T HN 0.065 nan 8.240 nan 0.000 0.526 201 K N 0.331 120.751 120.400 0.032 0.000 2.365 201 K HA 0.268 4.588 4.320 -0.000 0.000 0.195 201 K C 2.001 178.637 176.600 0.061 0.000 1.079 201 K CA 0.072 56.386 56.287 0.045 0.000 0.979 201 K CB 0.144 32.617 32.500 -0.044 0.000 0.929 201 K HN 0.269 nan 8.250 nan 0.000 0.523 202 I N 1.699 122.270 120.570 0.002 0.000 2.202 202 I HA -0.228 3.942 4.170 -0.000 0.000 0.242 202 I C 2.402 178.524 176.117 0.009 0.000 1.091 202 I CA 1.248 62.539 61.300 -0.015 0.000 1.368 202 I CB -1.034 36.976 38.000 0.018 0.000 1.058 202 I HN 0.343 nan 8.210 nan 0.000 0.410 203 E N 1.646 121.872 120.200 0.043 0.000 2.108 203 E HA -0.290 4.060 4.350 -0.000 0.000 0.203 203 E C 1.939 178.584 176.600 0.075 0.000 1.022 203 E CA 2.216 58.648 56.400 0.055 0.000 0.823 203 E CB -0.027 29.709 29.700 0.061 0.000 0.744 203 E HN 0.581 nan 8.360 nan 0.000 0.456 204 E N 0.376 120.651 120.200 0.126 0.000 2.031 204 E HA -0.191 4.159 4.350 -0.000 0.000 0.193 204 E C 2.421 179.134 176.600 0.189 0.000 0.994 204 E CA 1.276 57.812 56.400 0.227 0.000 0.800 204 E CB -0.279 29.637 29.700 0.359 0.000 0.752 204 E HN 0.368 nan 8.360 nan 0.000 0.447 205 L N 1.002 122.178 121.223 -0.079 0.000 2.141 205 L HA -0.094 4.246 4.340 -0.000 0.000 0.209 205 L C 2.540 179.275 176.870 -0.227 0.000 1.094 205 L CA 1.179 55.633 54.840 -0.643 0.000 0.763 205 L CB -0.009 41.339 42.059 -1.184 0.000 0.908 205 L HN -0.082 nan 8.230 nan 0.000 0.437 206 R N -0.806 119.639 120.500 -0.091 0.000 2.189 206 R HA -0.165 4.175 4.340 -0.000 0.000 0.218 206 R C 2.282 178.606 176.300 0.039 0.000 1.074 206 R CA 1.395 57.485 56.100 -0.016 0.000 0.991 206 R CB -0.072 30.232 30.300 0.007 0.000 0.883 206 R HN 0.593 nan 8.270 nan 0.000 0.457 207 Q N -0.872 118.968 119.800 0.066 0.000 2.061 207 Q HA -0.184 4.156 4.340 -0.000 0.000 0.195 207 Q C 1.753 177.835 176.000 0.136 0.000 0.967 207 Q CA 0.886 56.741 55.803 0.087 0.000 0.829 207 Q CB -0.166 28.623 28.738 0.084 0.000 0.900 207 Q HN 0.443 nan 8.270 nan 0.000 0.450 208 H N 1.085 120.209 119.070 0.091 0.000 2.292 208 H HA -0.213 4.343 4.556 -0.000 0.000 0.292 208 H C 2.100 177.583 175.328 0.258 0.000 1.100 208 H CA 2.087 58.248 56.048 0.189 0.000 1.238 208 H CB -0.280 29.573 29.762 0.151 0.000 1.355 208 H HN 0.292 nan 8.280 nan 0.000 0.484 209 L N -0.168 121.237 121.223 0.304 0.000 2.046 209 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 209 L C 2.851 179.858 176.870 0.229 0.000 1.077 209 L CA 0.971 55.952 54.840 0.235 0.000 0.747 209 L CB -0.583 41.533 42.059 0.095 0.000 0.896 209 L HN 0.241 nan 8.230 nan 0.000 0.432 210 L N 0.228 121.544 121.223 0.155 0.000 2.141 210 L HA -0.167 4.173 4.340 -0.000 0.000 0.209 210 L C 2.717 179.633 176.870 0.077 0.000 1.094 210 L CA 1.507 56.412 54.840 0.109 0.000 0.763 210 L CB -0.616 41.487 42.059 0.073 0.000 0.908 210 L HN 0.108 nan 8.230 nan 0.000 0.437 211 R N -1.635 118.896 120.500 0.052 0.000 2.105 211 R HA -0.226 4.113 4.340 -0.000 0.000 0.239 211 R C 1.885 178.069 176.300 -0.193 0.000 1.135 211 R CA 2.138 58.175 56.100 -0.105 0.000 0.967 211 R CB -0.505 29.674 30.300 -0.202 0.000 0.861 211 R HN 0.462 nan 8.270 nan 0.000 0.442 212 W N -0.728 120.580 121.300 0.014 0.000 2.905 212 W HA 0.294 4.954 4.660 -0.000 0.000 0.251 212 W C 0.725 177.262 176.519 0.031 0.000 1.305 212 W CA 0.853 58.212 57.345 0.023 0.000 1.465 212 W CB 0.503 29.990 29.460 0.046 0.000 1.122 212 W HN 0.370 nan 8.180 nan 0.000 0.659 213 G N 0.516 109.438 108.800 0.203 0.000 2.455 213 G HA2 -0.120 3.839 3.960 -0.000 0.000 0.169 213 G HA3 -0.120 3.839 3.960 -0.000 0.000 0.169 213 G C -0.991 174.012 174.900 0.171 0.000 1.074 213 G CA -0.967 44.226 45.100 0.154 0.000 0.796 213 G HN -0.038 nan 8.290 nan 0.000 0.489 214 L N 2.267 123.589 121.223 0.165 0.000 2.377 214 L HA 0.457 4.796 4.340 -0.000 0.000 0.270 214 L C 1.000 177.946 176.870 0.127 0.000 0.991 214 L CA -0.254 54.681 54.840 0.159 0.000 0.851 214 L CB 0.736 42.892 42.059 0.160 0.000 1.218 214 L HN 0.501 nan 8.230 nan 0.000 0.420 215 T N -0.592 114.035 114.554 0.122 0.000 2.853 215 T HA 0.320 4.669 4.350 -0.000 0.000 0.298 215 T C 0.423 175.181 174.700 0.096 0.000 0.978 215 T CA -0.184 61.977 62.100 0.101 0.000 1.152 215 T CB 0.185 69.112 68.868 0.098 0.000 0.914 215 T HN 0.527 nan 8.240 nan 0.000 0.539 216 T N 6.205 120.808 114.554 0.083 0.000 3.141 216 T HA 0.419 4.769 4.350 -0.000 0.000 0.377 216 T C -2.402 172.341 174.700 0.072 0.000 1.258 216 T CA -0.844 61.304 62.100 0.079 0.000 1.263 216 T CB 0.981 69.890 68.868 0.068 0.000 1.066 216 T HN 0.495 nan 8.240 nan 0.000 0.546 217 P HA 0.405 nan 4.420 nan 0.000 0.307 217 P C 0.025 177.364 177.300 0.065 0.000 1.306 217 P CA -0.504 62.634 63.100 0.064 0.000 0.742 217 P CB 0.665 32.401 31.700 0.061 0.000 1.349 218 D N -1.352 119.082 120.400 0.056 0.000 2.325 218 D HA 0.010 4.649 4.640 -0.000 0.000 0.225 218 D C 0.610 176.938 176.300 0.047 0.000 1.096 218 D CA 0.390 54.423 54.000 0.054 0.000 0.844 218 D CB -0.318 40.509 40.800 0.045 0.000 0.925 218 D HN 0.074 nan 8.370 nan 0.000 0.513 219 K N 1.046 121.475 120.400 0.049 0.000 2.589 219 K HA 0.056 4.376 4.320 -0.000 0.000 0.204 219 K C 0.530 177.153 176.600 0.039 0.000 1.029 219 K CA 0.088 56.395 56.287 0.034 0.000 1.177 219 K CB -0.072 32.452 32.500 0.039 0.000 0.902 219 K HN 0.385 nan 8.250 nan 0.000 0.501 220 K N -0.891 119.551 120.400 0.070 0.000 2.267 220 K HA 0.262 4.582 4.320 -0.000 0.000 0.236 220 K C -0.545 176.120 176.600 0.109 0.000 1.030 220 K CA -0.611 55.765 56.287 0.148 0.000 0.930 220 K CB 0.322 32.930 32.500 0.181 0.000 1.182 220 K HN -0.118 nan 8.250 nan 0.000 0.474 221 H N 1.282 120.450 119.070 0.163 0.000 3.015 221 H HA -0.020 4.536 4.556 -0.000 0.000 0.268 221 H C 0.618 176.068 175.328 0.202 0.000 1.113 221 H CA -0.238 55.941 56.048 0.218 0.000 1.479 221 H CB 0.843 30.858 29.762 0.423 0.000 1.493 221 H HN 0.645 nan 8.280 nan 0.000 0.486 222 Q N 3.171 123.061 119.800 0.151 0.000 2.089 222 Q HA -0.023 4.317 4.340 -0.000 0.000 0.195 222 Q C -0.163 175.862 176.000 0.041 0.000 0.963 222 Q CA 0.811 56.675 55.803 0.101 0.000 0.834 222 Q CB 0.009 28.776 28.738 0.048 0.000 0.906 222 Q HN 0.414 nan 8.270 nan 0.000 0.452 223 K N 1.923 122.292 120.400 -0.052 0.000 2.383 223 K HA 0.068 4.388 4.320 -0.000 0.000 0.286 223 K C 0.797 177.148 176.600 -0.415 0.000 1.051 223 K CA -0.039 56.157 56.287 -0.152 0.000 0.974 223 K CB 1.068 33.489 32.500 -0.132 0.000 0.968 223 K HN 0.230 nan 8.250 nan 0.000 0.475 224 E N 3.986 124.009 120.200 -0.296 0.000 2.038 224 E HA -0.175 4.175 4.350 -0.000 0.000 0.195 224 E C -0.862 175.347 176.600 -0.652 0.000 1.000 224 E CA 1.281 57.449 56.400 -0.387 0.000 0.803 224 E CB -0.444 29.231 29.700 -0.042 0.000 0.750 224 E HN 0.507 nan 8.360 nan 0.000 0.448 225 P HA -0.087 nan 4.420 nan 0.000 0.214 225 P C -2.149 174.982 177.300 -0.283 0.000 1.163 225 P CA 1.548 64.549 63.100 -0.166 0.000 0.889 225 P CB -1.228 30.454 31.700 -0.030 0.000 0.790 226 P HA 0.275 nan 4.420 nan 0.000 0.296 226 P C -0.864 176.198 177.300 -0.396 0.000 1.306 226 P CA -0.074 62.845 63.100 -0.302 0.000 0.818 226 P CB 0.276 31.912 31.700 -0.106 0.000 0.969 227 F N 2.920 122.917 119.950 0.078 0.000 2.809 227 F HA 0.209 4.736 4.527 -0.000 0.000 0.369 227 F C 0.787 176.748 175.800 0.267 0.000 1.225 227 F CA -0.998 57.111 58.000 0.183 0.000 1.201 227 F CB 0.865 39.882 39.000 0.029 0.000 1.527 227 F HN 0.144 nan 8.300 nan 0.000 0.565 228 L N 0.821 122.414 121.223 0.616 0.000 3.461 228 L HA 0.122 4.462 4.340 -0.000 0.000 0.246 228 L C -0.256 176.919 176.870 0.508 0.000 1.454 228 L CA 0.184 55.316 54.840 0.487 0.000 1.091 228 L CB -0.651 41.629 42.059 0.369 0.000 1.512 228 L HN 0.529 nan 8.230 nan 0.000 0.444 229 W N 4.550 125.976 121.300 0.211 0.000 2.316 229 W HA 0.435 5.095 4.660 -0.000 0.000 0.311 229 W C 0.497 177.129 176.519 0.188 0.000 1.217 229 W CA -0.928 56.502 57.345 0.142 0.000 1.199 229 W CB 0.614 30.138 29.460 0.107 0.000 1.202 229 W HN 0.300 nan 8.180 nan 0.000 0.528 230 M N 6.665 126.019 119.600 -0.410 0.000 2.206 230 M HA -0.272 4.208 4.480 -0.000 0.000 0.197 230 M C 1.210 177.348 176.300 -0.270 0.000 0.375 230 M CA 1.768 56.758 55.300 -0.516 0.000 0.410 230 M CB -2.233 29.703 32.600 -1.106 0.000 1.204 230 M HN 1.284 nan 8.290 nan 0.000 0.932 231 G N -1.587 107.125 108.800 -0.147 0.000 2.396 231 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.242 231 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.242 231 G C -0.112 174.728 174.900 -0.099 0.000 1.069 231 G CA 0.540 45.532 45.100 -0.180 0.000 0.633 231 G HN 0.600 nan 8.290 nan 0.000 0.517 232 Y N 1.306 121.669 120.300 0.106 0.000 2.304 232 Y HA 0.557 5.107 4.550 -0.000 0.000 0.327 232 Y C 0.908 176.972 175.900 0.273 0.000 1.209 232 Y CA -0.177 58.052 58.100 0.215 0.000 1.299 232 Y CB 0.825 39.374 38.460 0.148 0.000 1.249 232 Y HN 0.173 nan 8.280 nan 0.000 0.519 233 E N 3.233 123.710 120.200 0.462 0.000 2.081 233 E HA 0.313 4.663 4.350 -0.000 0.000 0.276 233 E C -1.416 175.342 176.600 0.263 0.000 0.950 233 E CA -0.449 56.113 56.400 0.269 0.000 0.776 233 E CB 0.495 30.317 29.700 0.202 0.000 1.094 233 E HN 0.551 nan 8.360 nan 0.000 0.402 234 L N 5.778 127.180 121.223 0.299 0.000 2.283 234 L HA 0.283 4.623 4.340 -0.000 0.000 0.287 234 L C 0.276 177.280 176.870 0.224 0.000 1.073 234 L CA -0.336 54.766 54.840 0.436 0.000 0.822 234 L CB 0.203 42.571 42.059 0.516 0.000 1.186 234 L HN 0.442 nan 8.230 nan 0.000 0.436 235 H N 4.052 123.383 119.070 0.436 0.000 2.651 235 H HA 0.264 4.820 4.556 -0.000 0.000 0.353 235 H C -1.542 173.932 175.328 0.243 0.000 1.178 235 H CA -1.876 54.318 56.048 0.243 0.000 1.224 235 H CB 1.661 31.497 29.762 0.123 0.000 1.702 235 H HN 0.330 nan 8.280 nan 0.000 0.550 236 P HA -0.226 nan 4.420 nan 0.000 0.219 236 P C 0.416 177.802 177.300 0.143 0.000 1.153 236 P CA 1.753 64.977 63.100 0.206 0.000 0.865 236 P CB 0.567 32.337 31.700 0.117 0.000 0.788 237 D N -1.740 118.652 120.400 -0.013 0.000 2.651 237 D HA 0.199 4.839 4.640 -0.000 0.000 0.280 237 D C 0.034 176.082 176.300 -0.420 0.000 1.496 237 D CA 0.018 53.880 54.000 -0.230 0.000 0.792 237 D CB 0.924 41.672 40.800 -0.086 0.000 1.144 237 D HN 0.228 nan 8.370 nan 0.000 0.470 238 K N 0.582 120.750 120.400 -0.386 0.000 2.575 238 K HA 0.385 4.705 4.320 -0.000 0.000 0.279 238 K C -1.277 175.475 176.600 0.253 0.000 0.969 238 K CA -1.020 55.182 56.287 -0.141 0.000 0.868 238 K CB 2.413 34.860 32.500 -0.089 0.000 1.457 238 K HN -0.026 nan 8.250 nan 0.000 0.426 239 W N 0.738 122.219 121.300 0.302 0.000 2.739 239 W HA 0.598 5.258 4.660 -0.000 0.000 0.331 239 W C -0.907 175.828 176.519 0.361 0.000 1.049 239 W CA -0.819 56.777 57.345 0.417 0.000 1.234 239 W CB 1.233 30.950 29.460 0.429 0.000 1.404 239 W HN 0.702 nan 8.180 nan 0.000 0.477 240 T N -0.718 114.201 114.554 0.609 0.000 2.804 240 T HA 0.715 5.065 4.350 -0.000 0.000 0.290 240 T C -1.366 173.601 174.700 0.445 0.000 1.099 240 T CA -0.795 61.546 62.100 0.401 0.000 1.011 240 T CB 2.001 71.048 68.868 0.298 0.000 1.291 240 T HN 0.475 nan 8.240 nan 0.000 0.523 241 V N 2.016 122.097 119.914 0.279 0.000 2.944 241 V HA 0.193 4.313 4.120 -0.000 0.000 0.259 241 V C 1.040 177.233 176.094 0.165 0.000 0.849 241 V CA -0.668 61.761 62.300 0.215 0.000 0.976 241 V CB 0.528 32.472 31.823 0.202 0.000 0.997 241 V HN 0.993 nan 8.190 nan 0.000 0.498 242 Q N 2.675 122.575 119.800 0.167 0.000 2.118 242 Q HA -0.128 4.212 4.340 -0.000 0.000 0.211 242 Q C -0.917 175.159 176.000 0.127 0.000 0.998 242 Q CA 1.609 57.498 55.803 0.143 0.000 0.872 242 Q CB -0.843 27.969 28.738 0.124 0.000 0.925 242 Q HN 0.608 nan 8.270 nan 0.000 0.414 243 P HA -0.049 nan 4.420 nan 0.000 0.258 243 P C -0.125 177.237 177.300 0.104 0.000 1.563 243 P CA 0.709 63.858 63.100 0.083 0.000 1.241 243 P CB 0.004 31.732 31.700 0.046 0.000 1.811 244 I N 2.347 122.998 120.570 0.136 0.000 3.860 244 I HA -0.027 4.142 4.170 -0.000 0.000 0.319 244 I C 0.058 176.255 176.117 0.134 0.000 1.279 244 I CA 0.020 61.428 61.300 0.180 0.000 1.220 244 I CB 0.352 38.535 38.000 0.305 0.000 1.027 244 I HN -0.211 nan 8.210 nan 0.000 0.428 245 V N 4.478 124.445 119.914 0.089 0.000 3.175 245 V HA -0.217 3.903 4.120 -0.000 0.000 0.269 245 V C 0.721 176.842 176.094 0.044 0.000 1.013 245 V CA 0.861 63.193 62.300 0.053 0.000 1.161 245 V CB -1.733 30.108 31.823 0.029 0.000 0.746 245 V HN 0.244 nan 8.190 nan 0.000 0.424 246 L N 7.284 128.536 121.223 0.047 0.000 2.439 246 L HA 0.401 4.741 4.340 -0.000 0.000 0.261 246 L C -1.816 175.060 176.870 0.010 0.000 1.153 246 L CA -1.876 52.987 54.840 0.039 0.000 0.808 246 L CB 0.385 42.473 42.059 0.049 0.000 1.126 246 L HN 0.319 nan 8.230 nan 0.000 0.460 247 P HA 0.054 nan 4.420 nan 0.000 0.263 247 P C 0.105 177.384 177.300 -0.035 0.000 1.601 247 P CA -0.130 62.958 63.100 -0.019 0.000 1.161 247 P CB 0.245 31.944 31.700 -0.003 0.000 1.730 248 E N 3.738 123.909 120.200 -0.048 0.000 2.024 248 E HA -0.262 4.088 4.350 -0.000 0.000 0.236 248 E C 1.418 177.976 176.600 -0.070 0.000 0.995 248 E CA 1.784 58.151 56.400 -0.056 0.000 0.904 248 E CB -0.433 29.226 29.700 -0.069 0.000 0.823 248 E HN 0.534 nan 8.360 nan 0.000 0.552 249 K N 0.938 121.265 120.400 -0.121 0.000 2.367 249 K HA -0.012 4.308 4.320 -0.000 0.000 0.195 249 K C 1.110 177.588 176.600 -0.203 0.000 1.060 249 K CA 0.963 57.173 56.287 -0.129 0.000 1.022 249 K CB 0.003 32.420 32.500 -0.138 0.000 0.894 249 K HN 0.118 nan 8.250 nan 0.000 0.540 250 D N 1.534 121.737 120.400 -0.328 0.000 2.417 250 D HA -0.112 4.527 4.640 -0.000 0.000 0.225 250 D C 0.469 176.688 176.300 -0.136 0.000 0.983 250 D CA 0.603 54.268 54.000 -0.558 0.000 0.949 250 D CB -0.109 40.425 40.800 -0.444 0.000 0.879 250 D HN 0.049 nan 8.370 nan 0.000 0.520 251 S N 0.406 116.102 115.700 -0.007 0.000 2.711 251 S HA -0.062 4.408 4.470 -0.000 0.000 0.237 251 S C 0.821 175.558 174.600 0.230 0.000 0.971 251 S CA 0.340 58.605 58.200 0.108 0.000 0.964 251 S CB -0.674 62.562 63.200 0.060 0.000 0.775 251 S HN 0.634 nan 8.310 nan 0.000 0.540 252 W N 1.619 122.924 121.300 0.007 0.000 2.525 252 W HA 0.206 4.866 4.660 -0.000 0.000 0.259 252 W C -0.129 176.394 176.519 0.006 0.000 1.253 252 W CA 0.024 57.373 57.345 0.006 0.000 1.262 252 W CB -1.484 27.980 29.460 0.005 0.000 1.122 252 W HN -0.014 nan 8.180 nan 0.000 0.607 253 T N 0.491 115.270 114.554 0.374 0.000 2.893 253 T HA 0.296 4.646 4.350 -0.000 0.000 0.291 253 T C 0.925 175.686 174.700 0.101 0.000 1.028 253 T CA -0.575 61.575 62.100 0.083 0.000 0.995 253 T CB 3.108 71.945 68.868 -0.052 0.000 1.051 253 T HN -0.284 nan 8.240 nan 0.000 0.470 254 V N 2.933 122.871 119.914 0.039 0.000 2.453 254 V HA -0.192 3.928 4.120 -0.000 0.000 0.252 254 V C 2.575 178.697 176.094 0.047 0.000 1.068 254 V CA 1.779 64.102 62.300 0.038 0.000 1.070 254 V CB -0.450 31.381 31.823 0.015 0.000 0.664 254 V HN 0.814 nan 8.190 nan 0.000 0.461 255 N N 0.023 118.751 118.700 0.047 0.000 2.166 255 N HA -0.179 4.561 4.740 -0.000 0.000 0.186 255 N C 1.468 177.022 175.510 0.074 0.000 1.019 255 N CA 1.605 54.686 53.050 0.052 0.000 0.856 255 N CB -0.102 38.414 38.487 0.048 0.000 0.993 255 N HN 0.570 nan 8.380 nan 0.000 0.426 256 D N 0.436 120.905 120.400 0.114 0.000 2.317 256 D HA -0.043 4.597 4.640 -0.000 0.000 0.211 256 D C 1.786 178.137 176.300 0.085 0.000 0.966 256 D CA 0.043 54.114 54.000 0.117 0.000 0.876 256 D CB 0.402 41.313 40.800 0.184 0.000 0.927 256 D HN 0.284 nan 8.370 nan 0.000 0.519 257 I N 1.395 122.011 120.570 0.078 0.000 2.353 257 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 257 I C 2.396 178.542 176.117 0.050 0.000 1.119 257 I CA 0.995 62.331 61.300 0.061 0.000 1.417 257 I CB -0.495 37.537 38.000 0.054 0.000 1.078 257 I HN 0.034 nan 8.210 nan 0.000 0.421 258 Q N 0.771 120.598 119.800 0.046 0.000 1.975 258 Q HA -0.253 4.087 4.340 -0.000 0.000 0.205 258 Q C 2.181 178.203 176.000 0.038 0.000 0.990 258 Q CA 1.886 57.711 55.803 0.037 0.000 0.845 258 Q CB -0.128 28.629 28.738 0.031 0.000 0.913 258 Q HN 0.434 nan 8.270 nan 0.000 0.420 259 K N 0.427 120.850 120.400 0.038 0.000 2.074 259 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 259 K C 2.114 178.738 176.600 0.039 0.000 1.048 259 K CA 1.428 57.734 56.287 0.032 0.000 0.926 259 K CB -0.383 32.136 32.500 0.032 0.000 0.713 259 K HN 0.129 nan 8.250 nan 0.000 0.444 260 L N 0.694 121.944 121.223 0.046 0.000 1.976 260 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 260 L C 2.026 178.930 176.870 0.057 0.000 1.071 260 L CA 1.565 56.435 54.840 0.051 0.000 0.746 260 L CB -0.746 41.343 42.059 0.049 0.000 0.890 260 L HN -0.086 nan 8.230 nan 0.000 0.432 261 V N 1.031 120.977 119.914 0.053 0.000 2.252 261 V HA -0.290 3.830 4.120 -0.000 0.000 0.249 261 V C 2.695 178.828 176.094 0.065 0.000 1.056 261 V CA 2.200 64.533 62.300 0.054 0.000 1.022 261 V CB -1.760 30.090 31.823 0.045 0.000 0.641 261 V HN 0.704 nan 8.190 nan 0.000 0.445 262 G N -0.912 107.923 108.800 0.059 0.000 2.432 262 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.219 262 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.219 262 G C 1.591 176.548 174.900 0.096 0.000 1.135 262 G CA 1.033 46.174 45.100 0.068 0.000 0.767 262 G HN 0.476 nan 8.290 nan 0.000 0.550 263 K N 0.191 120.642 120.400 0.086 0.000 2.147 263 K HA 0.062 4.382 4.320 -0.000 0.000 0.205 263 K C 2.433 179.132 176.600 0.166 0.000 1.049 263 K CA 0.727 57.081 56.287 0.112 0.000 0.936 263 K CB -0.330 32.220 32.500 0.084 0.000 0.722 263 K HN 0.378 nan 8.250 nan 0.000 0.446 264 L N -0.009 121.296 121.223 0.137 0.000 2.017 264 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 264 L C 2.116 179.076 176.870 0.150 0.000 1.073 264 L CA 1.492 56.419 54.840 0.145 0.000 0.745 264 L CB -0.732 41.392 42.059 0.108 0.000 0.894 264 L HN 0.216 nan 8.230 nan 0.000 0.432 265 N N -0.180 118.605 118.700 0.141 0.000 2.018 265 N HA -0.283 4.457 4.740 -0.000 0.000 0.196 265 N C 1.618 177.226 175.510 0.163 0.000 1.043 265 N CA 1.870 55.002 53.050 0.136 0.000 0.856 265 N CB -0.313 38.255 38.487 0.136 0.000 1.042 265 N HN 0.432 nan 8.380 nan 0.000 0.423 266 W N 1.542 122.854 121.300 0.020 0.000 2.318 266 W HA -0.249 4.411 4.660 -0.000 0.000 0.313 266 W C 2.008 178.517 176.519 -0.018 0.000 1.221 266 W CA 1.794 59.139 57.345 -0.001 0.000 1.266 266 W CB -0.541 28.897 29.460 -0.037 0.000 1.150 266 W HN 0.151 nan 8.180 nan 0.000 0.496 267 A N 0.431 123.282 122.820 0.053 0.000 1.948 267 A HA -0.300 4.020 4.320 -0.000 0.000 0.220 267 A C 2.041 179.509 177.584 -0.194 0.000 1.177 267 A CA 2.483 54.423 52.037 -0.161 0.000 0.636 267 A CB -1.472 17.637 19.000 0.181 0.000 0.815 267 A HN 0.386 nan 8.150 nan 0.000 0.449 268 S N -0.700 114.989 115.700 -0.019 0.000 2.440 268 S HA -0.288 4.182 4.470 -0.000 0.000 0.240 268 S C 1.980 176.548 174.600 -0.053 0.000 1.014 268 S CA 1.797 60.002 58.200 0.009 0.000 0.980 268 S CB -0.490 62.722 63.200 0.020 0.000 0.775 268 S HN 0.709 nan 8.310 nan 0.000 0.499 269 Q N 0.031 119.745 119.800 -0.143 0.000 2.002 269 Q HA -0.101 4.239 4.340 -0.000 0.000 0.204 269 Q C 2.126 178.194 176.000 0.113 0.000 0.988 269 Q CA 2.234 58.023 55.803 -0.023 0.000 0.843 269 Q CB -0.229 28.445 28.738 -0.106 0.000 0.908 269 Q HN 0.668 nan 8.270 nan 0.000 0.420 270 I N -1.274 119.281 120.570 -0.024 0.000 2.810 270 I HA -0.043 4.127 4.170 -0.000 0.000 0.262 270 I C 0.107 176.247 176.117 0.039 0.000 1.131 270 I CA -0.171 61.072 61.300 -0.096 0.000 1.453 270 I CB -0.004 37.824 38.000 -0.286 0.000 1.161 270 I HN 0.054 nan 8.210 nan 0.000 0.444 271 Y N 4.878 125.137 120.300 -0.069 0.000 2.677 271 Y HA 0.086 4.636 4.550 -0.000 0.000 0.335 271 Y C -1.812 174.044 175.900 -0.072 0.000 1.162 271 Y CA -3.486 54.576 58.100 -0.063 0.000 1.483 271 Y CB -1.164 37.278 38.460 -0.031 0.000 1.209 271 Y HN 0.064 nan 8.280 nan 0.000 0.528 272 P HA -0.007 nan 4.420 nan 0.000 0.268 272 P C 0.336 177.635 177.300 -0.001 0.000 1.208 272 P CA -0.043 63.048 63.100 -0.015 0.000 0.777 272 P CB 0.733 32.397 31.700 -0.060 0.000 0.875 273 G N 2.727 111.518 108.800 -0.015 0.000 2.938 273 G HA2 -0.135 3.825 3.960 -0.000 0.000 0.324 273 G HA3 -0.135 3.825 3.960 -0.000 0.000 0.324 273 G C -0.242 174.669 174.900 0.018 0.000 0.220 273 G CA 0.002 45.104 45.100 0.003 0.000 1.222 273 G HN 0.533 nan 8.290 nan 0.000 0.274 274 I N 1.940 122.532 120.570 0.035 0.000 2.571 274 I HA 0.340 4.510 4.170 -0.000 0.000 0.289 274 I C 0.099 176.247 176.117 0.053 0.000 1.115 274 I CA -0.799 60.528 61.300 0.044 0.000 1.045 274 I CB 2.220 40.260 38.000 0.067 0.000 1.238 274 I HN 0.510 nan 8.210 nan 0.000 0.424 275 K N 3.836 124.263 120.400 0.045 0.000 2.168 275 K HA 0.726 5.046 4.320 -0.000 0.000 0.239 275 K C -0.197 176.431 176.600 0.046 0.000 0.999 275 K CA -0.448 55.869 56.287 0.050 0.000 0.900 275 K CB 2.076 34.599 32.500 0.039 0.000 1.111 275 K HN 0.403 nan 8.250 nan 0.000 0.452 276 V N 1.237 121.178 119.914 0.046 0.000 3.400 276 V HA 0.076 4.196 4.120 -0.000 0.000 0.281 276 V C 1.523 177.638 176.094 0.035 0.000 1.617 276 V CA -0.389 61.936 62.300 0.042 0.000 1.044 276 V CB 0.345 32.196 31.823 0.047 0.000 0.858 276 V HN 0.715 nan 8.190 nan 0.000 0.425 277 R N 1.925 122.445 120.500 0.034 0.000 2.178 277 R HA -0.249 4.091 4.340 -0.000 0.000 0.257 277 R C 2.350 178.665 176.300 0.026 0.000 1.163 277 R CA 2.376 58.494 56.100 0.029 0.000 0.981 277 R CB -0.251 30.069 30.300 0.032 0.000 0.878 277 R HN 0.780 nan 8.270 nan 0.000 0.454 278 Q N 0.329 120.144 119.800 0.025 0.000 1.993 278 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 278 Q C 2.445 178.459 176.000 0.024 0.000 0.984 278 Q CA 1.242 57.058 55.803 0.022 0.000 0.837 278 Q CB -0.970 27.780 28.738 0.020 0.000 0.902 278 Q HN 0.340 nan 8.270 nan 0.000 0.423 279 L N 1.322 122.561 121.223 0.027 0.000 1.989 279 L HA -0.175 4.165 4.340 -0.000 0.000 0.211 279 L C 2.866 179.753 176.870 0.028 0.000 1.071 279 L CA 1.550 56.408 54.840 0.030 0.000 0.749 279 L CB -0.578 41.502 42.059 0.034 0.000 0.890 279 L HN 0.309 nan 8.230 nan 0.000 0.431 280 S N -0.638 115.079 115.700 0.028 0.000 2.420 280 S HA -0.228 4.242 4.470 -0.000 0.000 0.237 280 S C 2.049 176.662 174.600 0.021 0.000 1.023 280 S CA 1.442 59.657 58.200 0.024 0.000 0.991 280 S CB -0.101 63.113 63.200 0.023 0.000 0.792 280 S HN 0.154 nan 8.310 nan 0.000 0.488 281 K N 1.143 121.555 120.400 0.021 0.000 2.305 281 K HA 0.235 4.554 4.320 -0.000 0.000 0.199 281 K C 1.777 178.387 176.600 0.018 0.000 1.047 281 K CA 0.585 56.883 56.287 0.018 0.000 0.976 281 K CB -0.576 31.935 32.500 0.018 0.000 0.765 281 K HN 0.483 nan 8.250 nan 0.000 0.474 282 L N -0.040 121.195 121.223 0.020 0.000 2.217 282 L HA -0.106 4.234 4.340 -0.000 0.000 0.211 282 L C 1.738 178.620 176.870 0.019 0.000 1.107 282 L CA 0.579 55.432 54.840 0.020 0.000 0.783 282 L CB -0.447 41.627 42.059 0.024 0.000 0.919 282 L HN -0.002 nan 8.230 nan 0.000 0.442 283 L N -0.587 120.648 121.223 0.020 0.000 2.179 283 L HA -0.026 4.314 4.340 -0.000 0.000 0.208 283 L C 2.613 179.492 176.870 0.014 0.000 1.096 283 L CA 0.913 55.764 54.840 0.018 0.000 0.779 283 L CB -0.684 41.387 42.059 0.020 0.000 0.922 283 L HN 0.152 nan 8.230 nan 0.000 0.443 284 R N 0.636 121.144 120.500 0.013 0.000 2.234 284 R HA -0.292 4.047 4.340 -0.000 0.000 0.241 284 R C 2.118 178.423 176.300 0.009 0.000 1.115 284 R CA 2.435 58.541 56.100 0.011 0.000 0.913 284 R CB -1.127 29.180 30.300 0.012 0.000 0.911 284 R HN 0.422 nan 8.270 nan 0.000 0.430 285 G N 0.013 108.819 108.800 0.009 0.000 2.443 285 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 285 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 285 G C 0.306 175.209 174.900 0.005 0.000 1.131 285 G CA 0.875 45.979 45.100 0.007 0.000 0.775 285 G HN 0.450 nan 8.290 nan 0.000 0.547 286 T N -0.089 114.469 114.554 0.006 0.000 2.937 286 T HA 0.271 4.621 4.350 -0.000 0.000 0.316 286 T C 0.922 175.623 174.700 0.003 0.000 1.079 286 T CA 0.420 62.523 62.100 0.004 0.000 1.131 286 T CB 1.452 70.323 68.868 0.006 0.000 1.000 286 T HN 0.266 nan 8.240 nan 0.000 0.549 287 K N -0.280 120.120 120.400 -0.000 0.000 2.612 287 K HA 0.328 4.648 4.320 -0.000 0.000 0.199 287 K C -0.147 176.451 176.600 -0.004 0.000 1.520 287 K CA -0.211 56.075 56.287 -0.001 0.000 1.039 287 K CB 0.749 33.248 32.500 -0.001 0.000 1.286 287 K HN 0.676 nan 8.250 nan 0.000 0.622 288 A N 2.035 124.850 122.820 -0.007 0.000 2.274 288 A HA 0.461 4.781 4.320 -0.000 0.000 0.309 288 A C -0.686 176.889 177.584 -0.015 0.000 1.226 288 A CA -0.537 51.492 52.037 -0.013 0.000 0.853 288 A CB 0.537 19.526 19.000 -0.018 0.000 1.146 288 A HN 0.238 nan 8.150 nan 0.000 0.518 289 L N 3.106 124.319 121.223 -0.016 0.000 2.290 289 L HA 0.551 4.891 4.340 -0.000 0.000 0.284 289 L C 0.662 177.513 176.870 -0.033 0.000 1.078 289 L CA 1.698 56.528 54.840 -0.017 0.000 0.815 289 L CB 0.143 42.196 42.059 -0.010 0.000 1.162 289 L HN 1.015 nan 8.230 nan 0.000 0.435 290 T N 1.858 116.386 114.554 -0.042 0.000 5.503 290 T HA -0.156 4.194 4.350 -0.000 0.000 0.269 290 T C 0.129 174.757 174.700 -0.121 0.000 2.213 290 T CA 1.238 63.288 62.100 -0.082 0.000 3.777 290 T CB -1.373 67.446 68.868 -0.083 0.000 0.512 290 T HN 0.888 nan 8.240 nan 0.000 1.050 291 E N 1.134 121.283 120.200 -0.084 0.000 2.284 291 E HA 0.613 4.963 4.350 -0.000 0.000 0.255 291 E C -0.399 176.160 176.600 -0.068 0.000 1.052 291 E CA -0.531 55.819 56.400 -0.084 0.000 0.904 291 E CB 1.760 31.428 29.700 -0.053 0.000 1.217 291 E HN 0.267 nan 8.360 nan 0.000 0.438 292 V N 1.347 121.229 119.914 -0.054 0.000 3.001 292 V HA 0.475 4.595 4.120 -0.000 0.000 0.314 292 V C -0.211 175.880 176.094 -0.004 0.000 1.099 292 V CA -1.049 61.239 62.300 -0.020 0.000 0.989 292 V CB 1.488 33.303 31.823 -0.014 0.000 1.040 292 V HN 0.713 nan 8.190 nan 0.000 0.434 293 I N 3.606 124.184 120.570 0.013 0.000 2.441 293 I HA 0.632 4.802 4.170 -0.000 0.000 0.295 293 I C -2.181 173.948 176.117 0.020 0.000 0.994 293 I CA -2.155 59.154 61.300 0.015 0.000 1.144 293 I CB 2.223 40.234 38.000 0.019 0.000 1.314 293 I HN 0.567 nan 8.210 nan 0.000 0.445 294 P HA 0.106 nan 4.420 nan 0.000 0.235 294 P C -0.244 177.068 177.300 0.020 0.000 1.765 294 P CA -0.395 62.716 63.100 0.018 0.000 1.034 294 P CB -0.412 31.295 31.700 0.013 0.000 1.984 295 L N 1.041 122.280 121.223 0.026 0.000 3.544 295 L HA -0.106 4.234 4.340 -0.000 0.000 0.404 295 L C -0.397 176.485 176.870 0.021 0.000 1.080 295 L CA 0.871 55.727 54.840 0.026 0.000 0.763 295 L CB -1.249 40.829 42.059 0.031 0.000 1.168 295 L HN 0.113 nan 8.230 nan 0.000 0.723 296 T N 4.427 118.992 114.554 0.019 0.000 2.834 296 T HA 0.065 4.415 4.350 -0.000 0.000 0.298 296 T C 1.140 175.849 174.700 0.015 0.000 0.966 296 T CA 0.461 62.570 62.100 0.016 0.000 1.141 296 T CB 1.067 69.944 68.868 0.015 0.000 0.905 296 T HN 0.910 nan 8.240 nan 0.000 0.535 297 E N 2.984 123.192 120.200 0.013 0.000 2.164 297 E HA -0.326 4.024 4.350 -0.000 0.000 0.206 297 E C 1.559 178.166 176.600 0.011 0.000 1.032 297 E CA 2.223 58.630 56.400 0.012 0.000 0.832 297 E CB -0.023 29.683 29.700 0.009 0.000 0.742 297 E HN 0.805 nan 8.360 nan 0.000 0.460 298 E N -0.152 120.055 120.200 0.011 0.000 2.147 298 E HA -0.272 4.078 4.350 -0.000 0.000 0.199 298 E C 1.995 178.602 176.600 0.012 0.000 1.005 298 E CA 1.448 57.854 56.400 0.010 0.000 0.810 298 E CB -0.269 29.437 29.700 0.011 0.000 0.736 298 E HN 0.488 nan 8.360 nan 0.000 0.460 299 A N 1.371 124.200 122.820 0.015 0.000 2.016 299 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 299 A C 2.062 179.657 177.584 0.017 0.000 1.162 299 A CA 1.283 53.331 52.037 0.018 0.000 0.662 299 A CB -0.468 18.545 19.000 0.022 0.000 0.812 299 A HN 0.410 nan 8.150 nan 0.000 0.450 300 E N -0.409 119.801 120.200 0.016 0.000 2.110 300 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 300 E C 1.798 178.404 176.600 0.011 0.000 0.988 300 E CA 1.338 57.747 56.400 0.014 0.000 0.804 300 E CB -0.279 29.429 29.700 0.013 0.000 0.745 300 E HN 0.373 nan 8.360 nan 0.000 0.458 301 L N 1.373 122.601 121.223 0.009 0.000 2.068 301 L HA -0.058 4.282 4.340 -0.000 0.000 0.204 301 L C 2.695 179.569 176.870 0.006 0.000 1.076 301 L CA 2.468 57.311 54.840 0.005 0.000 0.753 301 L CB -1.341 40.720 42.059 0.004 0.000 0.910 301 L HN 0.421 nan 8.230 nan 0.000 0.439 302 E N 0.119 120.324 120.200 0.009 0.000 2.097 302 E HA -0.259 4.091 4.350 -0.000 0.000 0.196 302 E C 2.131 178.738 176.600 0.013 0.000 1.000 302 E CA 1.795 58.201 56.400 0.011 0.000 0.804 302 E CB -1.009 28.700 29.700 0.015 0.000 0.740 302 E HN 0.434 nan 8.360 nan 0.000 0.454 303 L N -0.137 121.095 121.223 0.015 0.000 2.093 303 L HA 0.047 4.387 4.340 -0.000 0.000 0.208 303 L C 2.745 179.621 176.870 0.009 0.000 1.085 303 L CA 2.162 57.012 54.840 0.017 0.000 0.755 303 L CB -1.169 40.901 42.059 0.020 0.000 0.904 303 L HN 0.436 nan 8.230 nan 0.000 0.435 304 A N -0.618 122.205 122.820 0.005 0.000 1.898 304 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 304 A C 2.086 179.666 177.584 -0.007 0.000 1.181 304 A CA 1.334 53.371 52.037 -0.001 0.000 0.620 304 A CB -0.359 18.641 19.000 -0.001 0.000 0.819 304 A HN 0.406 nan 8.150 nan 0.000 0.442 305 E N 0.538 120.735 120.200 -0.005 0.000 2.028 305 E HA -0.121 4.229 4.350 -0.000 0.000 0.190 305 E C 1.912 178.502 176.600 -0.016 0.000 0.984 305 E CA 1.125 57.519 56.400 -0.011 0.000 0.800 305 E CB -0.470 29.226 29.700 -0.007 0.000 0.758 305 E HN 0.502 nan 8.360 nan 0.000 0.448 306 N N 0.479 119.176 118.700 -0.006 0.000 2.061 306 N HA -0.193 4.547 4.740 -0.000 0.000 0.193 306 N C 1.797 177.295 175.510 -0.019 0.000 1.030 306 N CA 1.277 54.325 53.050 -0.003 0.000 0.856 306 N CB -0.270 38.229 38.487 0.020 0.000 1.023 306 N HN -0.035 nan 8.380 nan 0.000 0.424 307 R N 1.268 121.761 120.500 -0.013 0.000 2.105 307 R HA -0.003 4.337 4.340 -0.000 0.000 0.239 307 R C 1.580 177.849 176.300 -0.053 0.000 1.135 307 R CA 1.059 57.147 56.100 -0.021 0.000 0.967 307 R CB -0.301 29.994 30.300 -0.009 0.000 0.861 307 R HN 0.243 nan 8.270 nan 0.000 0.442 308 E N -0.089 120.081 120.200 -0.051 0.000 2.268 308 E HA -0.113 4.237 4.350 -0.000 0.000 0.195 308 E C 1.440 177.976 176.600 -0.107 0.000 0.995 308 E CA 0.765 57.127 56.400 -0.064 0.000 0.836 308 E CB 0.056 29.728 29.700 -0.045 0.000 0.763 308 E HN 0.344 nan 8.360 nan 0.000 0.491 309 I N -0.248 120.246 120.570 -0.127 0.000 3.427 309 I HA -0.044 4.126 4.170 -0.000 0.000 0.288 309 I C 2.128 177.996 176.117 -0.416 0.000 1.249 309 I CA 0.415 61.593 61.300 -0.204 0.000 1.421 309 I CB -0.751 37.172 38.000 -0.128 0.000 1.086 309 I HN 0.039 nan 8.210 nan 0.000 0.448 310 L N 0.168 121.207 121.223 -0.306 0.000 2.307 310 L HA 0.014 4.354 4.340 -0.000 0.000 0.211 310 L C 2.491 179.187 176.870 -0.289 0.000 1.099 310 L CA 0.644 55.270 54.840 -0.357 0.000 0.816 310 L CB -0.159 41.873 42.059 -0.045 0.000 0.952 310 L HN 0.094 nan 8.230 nan 0.000 0.455 311 K N 0.633 120.924 120.400 -0.182 0.000 1.975 311 K HA -0.104 4.216 4.320 -0.000 0.000 0.210 311 K C 0.549 177.074 176.600 -0.124 0.000 1.041 311 K CA 0.591 56.816 56.287 -0.104 0.000 0.942 311 K CB -0.038 32.423 32.500 -0.066 0.000 0.729 311 K HN 0.080 nan 8.250 nan 0.000 0.439 312 E N 1.780 121.892 120.200 -0.146 0.000 2.652 312 E HA -0.066 4.284 4.350 -0.000 0.000 0.255 312 E C -2.480 174.053 176.600 -0.112 0.000 0.952 312 E CA -0.960 55.373 56.400 -0.112 0.000 0.947 312 E CB 0.561 30.197 29.700 -0.107 0.000 0.912 312 E HN 0.010 nan 8.360 nan 0.000 0.489 313 P HA 0.118 nan 4.420 nan 0.000 0.278 313 P C -1.142 176.196 177.300 0.063 0.000 1.238 313 P CA -0.339 62.791 63.100 0.050 0.000 0.794 313 P CB 1.030 32.757 31.700 0.046 0.000 0.955 314 V N -1.170 118.814 119.914 0.118 0.000 3.130 314 V HA 0.778 4.898 4.120 -0.000 0.000 0.308 314 V C -1.229 174.916 176.094 0.086 0.000 1.413 314 V CA -0.764 61.592 62.300 0.093 0.000 1.053 314 V CB 2.239 34.088 31.823 0.043 0.000 1.075 314 V HN 0.859 nan 8.190 nan 0.000 0.465 315 H N -0.325 118.647 119.070 -0.163 0.000 3.064 315 H HA 0.723 5.279 4.556 -0.000 0.000 0.352 315 H C -0.765 174.280 175.328 -0.471 0.000 1.260 315 H CA -0.137 55.717 56.048 -0.323 0.000 1.160 315 H CB 1.743 31.376 29.762 -0.215 0.000 1.879 315 H HN 1.273 nan 8.280 nan 0.000 0.544 316 G N 1.263 109.448 108.800 -1.024 0.000 2.379 316 G HA2 0.500 4.460 3.960 -0.000 0.000 0.327 316 G HA3 0.500 4.460 3.960 -0.000 0.000 0.327 316 G C -0.696 173.941 174.900 -0.437 0.000 1.145 316 G CA -0.522 44.020 45.100 -0.930 0.000 0.905 316 G HN 0.443 nan 8.290 nan 0.000 0.466 317 V N 1.939 121.861 119.914 0.012 0.000 2.716 317 V HA 0.323 4.443 4.120 -0.000 0.000 0.304 317 V C 0.015 176.420 176.094 0.519 0.000 1.053 317 V CA -0.793 61.624 62.300 0.195 0.000 0.984 317 V CB 1.113 33.025 31.823 0.149 0.000 1.021 317 V HN 0.676 nan 8.190 nan 0.000 0.467 318 Y N 1.424 121.958 120.300 0.391 0.000 2.385 318 Y HA 0.146 4.696 4.550 -0.000 0.000 0.346 318 Y C -0.047 176.056 175.900 0.339 0.000 1.270 318 Y CA -0.361 57.958 58.100 0.364 0.000 1.472 318 Y CB 0.437 39.055 38.460 0.264 0.000 1.354 318 Y HN 0.679 nan 8.280 nan 0.000 0.611 319 Y N 2.216 122.749 120.300 0.389 0.000 2.328 319 Y HA 0.290 4.840 4.550 -0.000 0.000 0.337 319 Y C -1.177 174.830 175.900 0.179 0.000 1.008 319 Y CA -1.397 56.863 58.100 0.267 0.000 1.129 319 Y CB 1.268 39.969 38.460 0.403 0.000 1.185 319 Y HN 0.548 nan 8.280 nan 0.000 0.476 320 D N 8.562 128.675 120.400 -0.478 0.000 2.471 320 D HA 0.336 4.976 4.640 -0.000 0.000 0.245 320 D C -2.937 172.958 176.300 -0.675 0.000 1.116 320 D CA -2.546 51.133 54.000 -0.535 0.000 0.853 320 D CB 1.754 42.449 40.800 -0.175 0.000 1.123 320 D HN 0.336 nan 8.370 nan 0.000 0.540 321 P HA 0.090 nan 4.420 nan 0.000 0.263 321 P C -0.317 176.893 177.300 -0.149 0.000 1.601 321 P CA 0.158 63.063 63.100 -0.325 0.000 1.161 321 P CB 0.963 32.581 31.700 -0.137 0.000 1.730 322 S N 3.113 118.744 115.700 -0.116 0.000 4.738 322 S HA 0.062 4.532 4.470 -0.000 0.000 0.176 322 S C -0.188 174.380 174.600 -0.052 0.000 1.108 322 S CA -0.135 58.026 58.200 -0.066 0.000 1.277 322 S CB -0.048 63.113 63.200 -0.065 0.000 1.680 322 S HN 0.228 nan 8.310 nan 0.000 0.502 323 K N 2.921 123.282 120.400 -0.065 0.000 2.205 323 K HA 0.382 4.702 4.320 -0.000 0.000 0.279 323 K C -1.029 175.537 176.600 -0.057 0.000 1.027 323 K CA -0.410 55.846 56.287 -0.052 0.000 0.932 323 K CB 0.830 33.307 32.500 -0.039 0.000 1.032 323 K HN 0.509 nan 8.250 nan 0.000 0.466 324 D N 2.171 122.529 120.400 -0.070 0.000 2.432 324 D HA 0.243 4.883 4.640 -0.000 0.000 0.258 324 D C -0.048 176.141 176.300 -0.186 0.000 1.146 324 D CA -0.610 53.333 54.000 -0.095 0.000 1.015 324 D CB 0.671 41.412 40.800 -0.100 0.000 1.107 324 D HN 0.225 nan 8.370 nan 0.000 0.529 325 L N 0.031 121.088 121.223 -0.277 0.000 2.292 325 L HA 0.370 4.710 4.340 -0.000 0.000 0.284 325 L C -0.191 176.398 176.870 -0.468 0.000 1.065 325 L CA -0.840 53.728 54.840 -0.453 0.000 0.806 325 L CB 0.840 42.492 42.059 -0.678 0.000 1.175 325 L HN 0.183 nan 8.230 nan 0.000 0.431 326 I N 2.464 122.674 120.570 -0.600 0.000 2.474 326 I HA 0.501 4.671 4.170 -0.000 0.000 0.294 326 I C 0.068 175.832 176.117 -0.589 0.000 1.005 326 I CA -0.514 60.405 61.300 -0.634 0.000 1.113 326 I CB 1.953 39.439 38.000 -0.856 0.000 1.289 326 I HN 0.598 nan 8.210 nan 0.000 0.436 327 A N 5.540 128.056 122.820 -0.507 0.000 2.285 327 A HA 0.497 4.817 4.320 -0.000 0.000 0.310 327 A C -0.231 177.367 177.584 0.023 0.000 1.266 327 A CA -0.565 51.251 52.037 -0.368 0.000 0.832 327 A CB 0.662 19.031 19.000 -1.052 0.000 1.163 327 A HN 0.764 nan 8.150 nan 0.000 0.499 328 E N 2.514 122.876 120.200 0.270 0.000 2.216 328 E HA 0.568 4.918 4.350 -0.000 0.000 0.279 328 E C -1.066 175.745 176.600 0.353 0.000 0.997 328 E CA -0.404 56.204 56.400 0.347 0.000 0.817 328 E CB 1.189 31.128 29.700 0.399 0.000 1.096 328 E HN 0.731 nan 8.360 nan 0.000 0.393 329 I N 2.641 123.404 120.570 0.321 0.000 2.693 329 I HA 0.395 4.565 4.170 -0.000 0.000 0.303 329 I C -1.262 175.013 176.117 0.263 0.000 1.025 329 I CA -0.518 60.970 61.300 0.313 0.000 1.086 329 I CB 1.699 39.847 38.000 0.246 0.000 1.268 329 I HN 0.594 nan 8.210 nan 0.000 0.440 330 Q N 4.273 124.240 119.800 0.278 0.000 2.377 330 Q HA 0.435 4.775 4.340 -0.000 0.000 0.279 330 Q C -1.802 174.275 176.000 0.129 0.000 1.049 330 Q CA -0.970 54.937 55.803 0.174 0.000 0.825 330 Q CB 2.579 31.383 28.738 0.110 0.000 1.401 330 Q HN 0.608 nan 8.270 nan 0.000 0.404 331 K N 0.750 121.096 120.400 -0.089 0.000 2.378 331 K HA 0.380 4.700 4.320 -0.000 0.000 0.252 331 K C -0.522 175.929 176.600 -0.248 0.000 0.931 331 K CA -0.275 55.766 56.287 -0.410 0.000 0.794 331 K CB 1.430 33.314 32.500 -1.026 0.000 1.181 331 K HN 0.614 nan 8.250 nan 0.000 0.425 332 Q N 1.009 120.682 119.800 -0.212 0.000 1.921 332 Q HA 0.256 4.596 4.340 -0.000 0.000 0.192 332 Q C 0.076 176.015 176.000 -0.102 0.000 0.755 332 Q CA -0.511 55.221 55.803 -0.118 0.000 0.904 332 Q CB 0.952 29.656 28.738 -0.058 0.000 1.222 332 Q HN 0.616 nan 8.270 nan 0.000 0.417 333 G N 0.307 109.024 108.800 -0.139 0.000 2.552 333 G HA2 0.155 4.115 3.960 -0.000 0.000 0.324 333 G HA3 0.155 4.115 3.960 -0.000 0.000 0.324 333 G C -0.088 174.753 174.900 -0.098 0.000 1.217 333 G CA -0.348 44.703 45.100 -0.080 0.000 0.989 333 G HN -0.002 nan 8.290 nan 0.000 0.490 334 Q N -0.517 119.261 119.800 -0.037 0.000 2.541 334 Q HA 0.022 4.362 4.340 -0.000 0.000 0.215 334 Q C 1.148 177.149 176.000 0.001 0.000 0.977 334 Q CA 1.153 56.948 55.803 -0.012 0.000 0.934 334 Q CB 0.036 28.783 28.738 0.015 0.000 0.988 334 Q HN 0.847 nan 8.270 nan 0.000 0.521 335 G N -0.173 108.616 108.800 -0.019 0.000 4.791 335 G HA2 0.024 3.984 3.960 -0.000 0.000 0.219 335 G HA3 0.024 3.984 3.960 -0.000 0.000 0.219 335 G C -0.708 174.296 174.900 0.173 0.000 0.699 335 G CA -0.572 44.580 45.100 0.087 0.000 1.017 335 G HN 0.156 nan 8.290 nan 0.000 0.670 336 Q N 0.009 119.787 119.800 -0.037 0.000 2.274 336 Q HA 0.743 5.083 4.340 -0.000 0.000 0.260 336 Q C -1.009 174.959 176.000 -0.054 0.000 0.974 336 Q CA -0.373 55.513 55.803 0.137 0.000 0.876 336 Q CB 1.767 30.569 28.738 0.106 0.000 1.297 336 Q HN 0.390 nan 8.270 nan 0.000 0.446 337 W N 0.158 121.574 121.300 0.194 0.000 2.902 337 W HA 0.733 5.393 4.660 -0.000 0.000 0.346 337 W C -0.566 176.064 176.519 0.186 0.000 1.139 337 W CA -0.882 56.557 57.345 0.157 0.000 1.139 337 W CB 0.847 30.373 29.460 0.111 0.000 1.439 337 W HN 0.551 nan 8.180 nan 0.000 0.558 338 T N -0.800 113.988 114.554 0.389 0.000 2.916 338 T HA 0.801 5.151 4.350 -0.000 0.000 0.292 338 T C -1.460 173.433 174.700 0.321 0.000 1.055 338 T CA -0.891 61.358 62.100 0.248 0.000 1.009 338 T CB 1.914 70.845 68.868 0.105 0.000 1.118 338 T HN 0.483 nan 8.240 nan 0.000 0.497 339 Y N -0.850 119.559 120.300 0.182 0.000 2.433 339 Y HA 0.750 5.300 4.550 -0.000 0.000 0.337 339 Y C -1.223 174.768 175.900 0.152 0.000 1.026 339 Y CA -1.344 56.866 58.100 0.183 0.000 1.037 339 Y CB 1.488 40.072 38.460 0.206 0.000 1.245 339 Y HN 0.568 nan 8.280 nan 0.000 0.443 340 Q N 4.494 124.463 119.800 0.282 0.000 2.348 340 Q HA 0.594 4.934 4.340 -0.000 0.000 0.265 340 Q C -1.084 175.141 176.000 0.375 0.000 0.998 340 Q CA -0.500 55.440 55.803 0.228 0.000 0.831 340 Q CB 2.437 31.233 28.738 0.096 0.000 1.251 340 Q HN 0.750 nan 8.270 nan 0.000 0.456 341 I N 4.363 125.113 120.570 0.300 0.000 2.304 341 I HA 0.415 4.585 4.170 -0.000 0.000 0.291 341 I C -0.746 175.454 176.117 0.139 0.000 1.018 341 I CA -0.954 60.417 61.300 0.118 0.000 1.260 341 I CB -0.077 38.007 38.000 0.139 0.000 1.390 341 I HN 0.612 nan 8.210 nan 0.000 0.475 342 Y N 3.054 123.279 120.300 -0.126 0.000 2.609 342 Y HA 0.477 5.027 4.550 -0.000 0.000 0.336 342 Y C -0.105 175.730 175.900 -0.109 0.000 1.129 342 Y CA -0.957 57.086 58.100 -0.094 0.000 1.040 342 Y CB 1.216 39.639 38.460 -0.061 0.000 1.310 342 Y HN 0.392 nan 8.280 nan 0.000 0.460 343 Q N 0.658 120.460 119.800 0.004 0.000 2.263 343 Q HA 0.222 4.562 4.340 -0.000 0.000 0.196 343 Q C -0.487 175.545 176.000 0.054 0.000 0.965 343 Q CA 0.446 56.217 55.803 -0.053 0.000 0.851 343 Q CB 0.575 29.314 28.738 0.001 0.000 0.948 343 Q HN 0.689 nan 8.270 nan 0.000 0.516 344 E N 0.445 120.742 120.200 0.162 0.000 2.191 344 E HA 0.159 4.509 4.350 -0.000 0.000 0.274 344 E C -2.119 174.640 176.600 0.265 0.000 0.948 344 E CA -2.035 54.472 56.400 0.179 0.000 0.802 344 E CB 1.585 31.360 29.700 0.124 0.000 1.137 344 E HN -0.115 nan 8.360 nan 0.000 0.397 345 P HA -0.293 nan 4.420 nan 0.000 0.233 345 P C 0.932 178.245 177.300 0.022 0.000 0.771 345 P CA 1.562 64.752 63.100 0.150 0.000 1.081 345 P CB -0.104 31.677 31.700 0.135 0.000 0.741 346 F N 0.100 120.019 119.950 -0.052 0.000 2.186 346 F HA -0.022 4.505 4.527 -0.000 0.000 0.299 346 F C 0.935 176.681 175.800 -0.090 0.000 1.090 346 F CA 1.056 59.006 58.000 -0.085 0.000 1.307 346 F CB -0.318 38.657 39.000 -0.042 0.000 1.019 346 F HN -0.239 nan 8.300 nan 0.000 0.489 347 K N 2.459 122.910 120.400 0.085 0.000 2.351 347 K HA -0.027 4.293 4.320 -0.000 0.000 0.287 347 K C -0.512 176.041 176.600 -0.078 0.000 1.068 347 K CA -0.228 56.053 56.287 -0.010 0.000 0.998 347 K CB -0.194 32.378 32.500 0.120 0.000 0.968 347 K HN 0.114 nan 8.250 nan 0.000 0.464 348 N N 2.609 121.165 118.700 -0.240 0.000 2.524 348 N HA 0.082 4.822 4.740 -0.000 0.000 0.283 348 N C 0.272 175.784 175.510 0.003 0.000 1.142 348 N CA -0.253 52.716 53.050 -0.135 0.000 0.984 348 N CB 1.169 39.505 38.487 -0.252 0.000 1.155 348 N HN 0.313 nan 8.380 nan 0.000 0.467 349 L N 2.276 123.598 121.223 0.165 0.000 2.428 349 L HA 0.398 4.738 4.340 -0.000 0.000 0.190 349 L C 0.300 177.457 176.870 0.478 0.000 1.255 349 L CA 1.385 56.435 54.840 0.350 0.000 0.848 349 L CB -0.547 41.705 42.059 0.322 0.000 1.088 349 L HN 0.502 nan 8.230 nan 0.000 0.500 350 K N -0.608 120.032 120.400 0.400 0.000 2.316 350 K HA 0.508 4.828 4.320 -0.000 0.000 0.251 350 K C -1.434 175.280 176.600 0.191 0.000 0.934 350 K CA -0.391 56.085 56.287 0.315 0.000 0.802 350 K CB 1.529 34.055 32.500 0.043 0.000 1.171 350 K HN 0.433 nan 8.250 nan 0.000 0.426 351 T N -0.478 114.126 114.554 0.082 0.000 2.848 351 T HA 0.745 5.095 4.350 -0.000 0.000 0.285 351 T C -0.126 174.400 174.700 -0.290 0.000 0.995 351 T CA -0.852 61.185 62.100 -0.104 0.000 0.970 351 T CB 1.727 70.550 68.868 -0.076 0.000 0.976 351 T HN 0.603 nan 8.240 nan 0.000 0.441 352 G N 1.837 110.116 108.800 -0.868 0.000 2.672 352 G HA2 0.684 4.644 3.960 -0.000 0.000 0.292 352 G HA3 0.684 4.644 3.960 -0.000 0.000 0.292 352 G C -1.048 173.365 174.900 -0.812 0.000 1.375 352 G CA -1.267 43.306 45.100 -0.878 0.000 0.890 352 G HN 0.983 nan 8.290 nan 0.000 0.476 353 K N -1.335 118.988 120.400 -0.127 0.000 2.416 353 K HA 0.852 5.172 4.320 -0.000 0.000 0.244 353 K C -1.446 175.409 176.600 0.424 0.000 1.044 353 K CA -1.030 55.345 56.287 0.147 0.000 0.972 353 K CB 1.698 34.269 32.500 0.119 0.000 1.286 353 K HN 0.609 nan 8.250 nan 0.000 0.500 354 Y N -1.143 119.314 120.300 0.261 0.000 2.424 354 Y HA 0.500 5.050 4.550 -0.000 0.000 0.323 354 Y C -2.216 173.826 175.900 0.237 0.000 1.174 354 Y CA -0.483 57.758 58.100 0.236 0.000 1.060 354 Y CB 1.919 40.505 38.460 0.210 0.000 1.314 354 Y HN 0.923 nan 8.280 nan 0.000 0.439 355 A N 4.351 126.967 122.820 -0.339 0.000 2.604 355 A HA 0.978 5.298 4.320 -0.000 0.000 0.285 355 A C -0.905 176.528 177.584 -0.251 0.000 1.095 355 A CA 0.298 52.271 52.037 -0.106 0.000 0.842 355 A CB 0.451 19.459 19.000 0.014 0.000 1.385 355 A HN 1.742 nan 8.150 nan 0.000 0.404 356 R N 0.854 121.258 120.500 -0.159 0.000 2.828 356 R HA 0.759 5.099 4.340 -0.000 0.000 0.280 356 R C -1.960 174.385 176.300 0.076 0.000 1.020 356 R CA -0.417 55.631 56.100 -0.087 0.000 0.855 356 R CB 0.421 30.591 30.300 -0.216 0.000 1.278 356 R HN 0.892 nan 8.270 nan 0.000 0.495 357 M N 2.300 121.934 119.600 0.055 0.000 2.036 357 M HA 0.491 4.971 4.480 -0.000 0.000 0.337 357 M C 1.439 177.771 176.300 0.053 0.000 1.012 357 M CA -0.147 55.198 55.300 0.074 0.000 0.962 357 M CB 1.593 34.224 32.600 0.053 0.000 1.423 357 M HN 1.013 nan 8.290 nan 0.000 0.405 358 R N 2.166 122.712 120.500 0.077 0.000 2.346 358 R HA 0.569 4.909 4.340 -0.000 0.000 0.208 358 R C 0.798 177.124 176.300 0.043 0.000 1.052 358 R CA 0.893 57.031 56.100 0.062 0.000 1.116 358 R CB -1.186 29.167 30.300 0.087 0.000 1.003 358 R HN 0.905 nan 8.270 nan 0.000 0.482 359 G N -3.628 105.188 108.800 0.027 0.000 2.450 359 G HA2 0.477 4.437 3.960 -0.000 0.000 0.273 359 G HA3 0.477 4.437 3.960 -0.000 0.000 0.273 359 G C 0.403 175.273 174.900 -0.050 0.000 1.221 359 G CA 0.239 45.337 45.100 -0.004 0.000 0.900 359 G HN 0.677 nan 8.290 nan 0.000 0.483 360 A N -1.695 121.038 122.820 -0.145 0.000 2.026 360 A HA 0.390 4.710 4.320 -0.000 0.000 0.201 360 A C 0.749 178.136 177.584 -0.328 0.000 1.318 360 A CA 0.632 52.489 52.037 -0.300 0.000 0.857 360 A CB 0.058 18.749 19.000 -0.515 0.000 0.939 360 A HN 0.481 nan 8.150 nan 0.000 0.476 361 H N 0.700 119.797 119.070 0.045 0.000 2.421 361 H HA 0.297 4.853 4.556 -0.000 0.000 0.241 361 H C 0.076 175.431 175.328 0.046 0.000 1.428 361 H CA 0.142 56.217 56.048 0.046 0.000 1.136 361 H CB -0.328 29.454 29.762 0.033 0.000 1.612 361 H HN 0.310 nan 8.280 nan 0.000 0.537 362 T N 1.515 116.142 114.554 0.121 0.000 2.810 362 T HA 0.368 4.718 4.350 -0.000 0.000 0.277 362 T C 0.221 174.958 174.700 0.062 0.000 0.973 362 T CA -0.538 61.609 62.100 0.079 0.000 0.949 362 T CB 0.772 69.690 68.868 0.082 0.000 1.075 362 T HN 0.734 nan 8.240 nan 0.000 0.537 363 N N 0.087 118.789 118.700 0.004 0.000 2.961 363 N HA 0.231 4.971 4.740 -0.000 0.000 0.245 363 N C -0.588 174.896 175.510 -0.043 0.000 1.404 363 N CA -0.671 52.361 53.050 -0.031 0.000 0.880 363 N CB 0.328 38.720 38.487 -0.158 0.000 1.461 363 N HN 0.393 nan 8.380 nan 0.000 0.510 364 D N -0.293 120.090 120.400 -0.027 0.000 2.354 364 D HA -0.048 4.592 4.640 -0.000 0.000 0.216 364 D C 1.389 177.669 176.300 -0.033 0.000 0.970 364 D CA 0.729 54.776 54.000 0.078 0.000 0.905 364 D CB 0.240 41.009 40.800 -0.052 0.000 0.903 364 D HN 0.370 nan 8.370 nan 0.000 0.508 365 V N -0.047 119.650 119.914 -0.361 0.000 2.346 365 V HA -0.152 3.968 4.120 -0.000 0.000 0.244 365 V C 2.200 177.996 176.094 -0.498 0.000 1.037 365 V CA 1.375 63.310 62.300 -0.608 0.000 1.029 365 V CB -0.045 30.999 31.823 -1.299 0.000 0.663 365 V HN 0.131 nan 8.190 nan 0.000 0.454 366 K N -0.251 119.898 120.400 -0.419 0.000 2.025 366 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 366 K C 1.990 178.445 176.600 -0.241 0.000 1.049 366 K CA 1.332 57.489 56.287 -0.216 0.000 0.933 366 K CB -0.209 32.228 32.500 -0.105 0.000 0.714 366 K HN 0.512 nan 8.250 nan 0.000 0.438 367 Q N 0.780 120.465 119.800 -0.192 0.000 2.561 367 Q HA -0.146 4.194 4.340 -0.000 0.000 0.217 367 Q C 1.795 177.047 176.000 -1.247 0.000 0.980 367 Q CA 0.558 56.156 55.803 -0.341 0.000 0.927 367 Q CB -0.114 28.776 28.738 0.253 0.000 0.980 367 Q HN 0.235 nan 8.270 nan 0.000 0.525 368 L N 0.650 121.265 121.223 -1.013 0.000 2.051 368 L HA -0.120 4.220 4.340 -0.000 0.000 0.202 368 L C 2.620 178.932 176.870 -0.930 0.000 1.097 368 L CA 2.375 56.469 54.840 -1.243 0.000 0.762 368 L CB -1.168 40.538 42.059 -0.589 0.000 0.913 368 L HN 0.213 nan 8.230 nan 0.000 0.447 369 T N -2.206 111.996 114.554 -0.587 0.000 2.624 369 T HA -0.253 4.097 4.350 -0.000 0.000 0.268 369 T C 1.740 176.135 174.700 -0.508 0.000 1.041 369 T CA 1.699 63.505 62.100 -0.490 0.000 1.159 369 T CB -0.742 68.038 68.868 -0.146 0.000 0.863 369 T HN 0.431 nan 8.240 nan 0.000 0.434 370 E N 1.297 121.220 120.200 -0.462 0.000 2.396 370 E HA 0.001 4.351 4.350 -0.000 0.000 0.200 370 E C 2.208 178.355 176.600 -0.755 0.000 1.023 370 E CA 1.058 57.207 56.400 -0.418 0.000 0.857 370 E CB -0.555 29.004 29.700 -0.235 0.000 0.775 370 E HN 0.822 nan 8.360 nan 0.000 0.525 371 A N 0.120 122.300 122.820 -1.066 0.000 1.887 371 A HA 0.014 4.334 4.320 -0.000 0.000 0.210 371 A C 2.505 179.691 177.584 -0.663 0.000 1.221 371 A CA 0.432 51.769 52.037 -1.168 0.000 0.635 371 A CB -0.479 17.796 19.000 -1.209 0.000 0.881 371 A HN 0.105 nan 8.150 nan 0.000 0.456 372 V N 0.953 120.422 119.914 -0.742 0.000 2.231 372 V HA -0.400 3.720 4.120 -0.000 0.000 0.248 372 V C 2.749 178.634 176.094 -0.349 0.000 1.054 372 V CA 2.603 64.400 62.300 -0.838 0.000 1.015 372 V CB -1.009 30.072 31.823 -1.237 0.000 0.638 372 V HN 0.681 nan 8.190 nan 0.000 0.444 373 Q N -0.654 118.960 119.800 -0.310 0.000 2.096 373 Q HA -0.298 4.042 4.340 -0.000 0.000 0.204 373 Q C 2.256 178.202 176.000 -0.089 0.000 0.982 373 Q CA 1.685 57.409 55.803 -0.132 0.000 0.850 373 Q CB -0.324 28.353 28.738 -0.101 0.000 0.901 373 Q HN 0.392 nan 8.270 nan 0.000 0.422 374 K N 0.624 120.941 120.400 -0.138 0.000 2.360 374 K HA -0.059 4.261 4.320 -0.000 0.000 0.201 374 K C 1.468 177.996 176.600 -0.121 0.000 1.046 374 K CA 0.888 57.138 56.287 -0.062 0.000 0.945 374 K CB 0.136 32.657 32.500 0.036 0.000 0.750 374 K HN 0.242 nan 8.250 nan 0.000 0.464 375 I N -1.083 119.393 120.570 -0.157 0.000 3.339 375 I HA -0.098 4.072 4.170 -0.000 0.000 0.285 375 I C 1.944 178.042 176.117 -0.032 0.000 1.201 375 I CA 0.622 61.804 61.300 -0.197 0.000 1.434 375 I CB -0.170 37.701 38.000 -0.215 0.000 1.152 375 I HN 0.123 nan 8.210 nan 0.000 0.443 376 T N -1.645 112.947 114.554 0.063 0.000 2.668 376 T HA -0.159 4.191 4.350 -0.000 0.000 0.262 376 T C 1.931 176.649 174.700 0.030 0.000 1.045 376 T CA 1.994 64.129 62.100 0.059 0.000 1.152 376 T CB -1.027 67.905 68.868 0.107 0.000 0.864 376 T HN 0.121 nan 8.240 nan 0.000 0.419 377 T N 1.695 116.262 114.554 0.022 0.000 2.699 377 T HA -0.145 4.205 4.350 -0.000 0.000 0.268 377 T C 1.863 176.564 174.700 0.002 0.000 1.036 377 T CA 1.718 63.827 62.100 0.015 0.000 1.147 377 T CB -0.483 68.393 68.868 0.013 0.000 0.862 377 T HN 0.588 nan 8.240 nan 0.000 0.446 378 E N 0.241 120.435 120.200 -0.010 0.000 2.274 378 E HA -0.067 4.283 4.350 -0.000 0.000 0.194 378 E C 1.999 178.581 176.600 -0.029 0.000 0.996 378 E CA 0.729 57.114 56.400 -0.025 0.000 0.840 378 E CB 0.048 29.736 29.700 -0.020 0.000 0.772 378 E HN 0.379 nan 8.360 nan 0.000 0.491 379 S N 0.258 115.990 115.700 0.054 0.000 2.456 379 S HA 0.098 4.568 4.470 -0.000 0.000 0.224 379 S C 1.880 176.577 174.600 0.161 0.000 1.035 379 S CA -0.129 58.214 58.200 0.237 0.000 0.940 379 S CB 0.067 63.440 63.200 0.288 0.000 0.799 379 S HN 0.248 nan 8.310 nan 0.000 0.508 380 I N 1.402 122.013 120.570 0.068 0.000 2.264 380 I HA -0.174 3.996 4.170 -0.000 0.000 0.248 380 I C 1.998 178.117 176.117 0.003 0.000 1.111 380 I CA 1.001 62.328 61.300 0.045 0.000 1.382 380 I CB -0.167 37.851 38.000 0.029 0.000 1.060 380 I HN 0.148 nan 8.210 nan 0.000 0.418 381 V N 0.896 120.785 119.914 -0.042 0.000 2.427 381 V HA -0.216 3.904 4.120 -0.000 0.000 0.248 381 V C 1.950 177.927 176.094 -0.196 0.000 1.051 381 V CA 1.292 63.537 62.300 -0.092 0.000 1.048 381 V CB -0.268 31.503 31.823 -0.087 0.000 0.666 381 V HN 0.328 nan 8.190 nan 0.000 0.456 382 I N -2.415 117.930 120.570 -0.374 0.000 3.783 382 I HA 0.049 4.219 4.170 -0.000 0.000 0.310 382 I C 1.545 177.133 176.117 -0.881 0.000 1.274 382 I CA 0.855 61.693 61.300 -0.769 0.000 1.294 382 I CB -0.442 36.698 38.000 -1.433 0.000 1.051 382 I HN 0.454 nan 8.210 nan 0.000 0.435 383 W N 0.293 121.451 121.300 -0.237 0.000 2.340 383 W HA 0.333 4.992 4.660 -0.000 0.000 0.250 383 W C 1.536 177.967 176.519 -0.146 0.000 0.952 383 W CA 0.704 57.843 57.345 -0.344 0.000 1.219 383 W CB 0.368 29.431 29.460 -0.662 0.000 0.921 383 W HN 0.242 nan 8.180 nan 0.000 0.603 384 G N 1.799 110.663 108.800 0.107 0.000 2.358 384 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.224 384 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.224 384 G C 0.272 175.218 174.900 0.077 0.000 1.073 384 G CA 0.574 45.723 45.100 0.082 0.000 0.635 384 G HN 0.219 nan 8.290 nan 0.000 0.509 385 K N 1.166 121.618 120.400 0.087 0.000 2.244 385 K HA 0.702 5.022 4.320 -0.000 0.000 0.260 385 K C -0.190 176.416 176.600 0.011 0.000 0.951 385 K CA -0.402 55.913 56.287 0.047 0.000 0.826 385 K CB 1.717 34.245 32.500 0.045 0.000 1.108 385 K HN 0.033 nan 8.250 nan 0.000 0.433 386 T N 4.711 119.268 114.554 0.006 0.000 2.946 386 T HA 0.081 4.431 4.350 -0.000 0.000 0.312 386 T C -1.874 172.767 174.700 -0.100 0.000 1.066 386 T CA -0.472 61.616 62.100 -0.020 0.000 1.138 386 T CB -0.047 68.833 68.868 0.020 0.000 1.014 386 T HN 0.592 nan 8.240 nan 0.000 0.544 387 P HA 0.401 nan 4.420 nan 0.000 0.287 387 P C -0.787 176.295 177.300 -0.363 0.000 1.279 387 P CA -0.969 61.930 63.100 -0.336 0.000 0.867 387 P CB 1.130 32.543 31.700 -0.478 0.000 1.127 388 K N 1.286 121.489 120.400 -0.329 0.000 2.270 388 K HA 0.357 4.677 4.320 -0.000 0.000 0.276 388 K C -0.302 176.114 176.600 -0.306 0.000 1.023 388 K CA -0.073 56.081 56.287 -0.221 0.000 0.955 388 K CB 0.389 32.791 32.500 -0.163 0.000 0.975 388 K HN 0.389 nan 8.250 nan 0.000 0.471 389 F N 1.341 121.251 119.950 -0.067 0.000 2.458 389 F HA 0.294 4.821 4.527 -0.000 0.000 0.330 389 F C 0.503 176.333 175.800 0.050 0.000 1.082 389 F CA -0.647 57.329 58.000 -0.040 0.000 0.995 389 F CB 1.578 40.516 39.000 -0.103 0.000 1.170 389 F HN 0.164 nan 8.300 nan 0.000 0.478 390 K N 4.953 125.568 120.400 0.359 0.000 2.530 390 K HA 0.411 4.731 4.320 -0.000 0.000 0.230 390 K C -1.355 175.415 176.600 0.284 0.000 1.002 390 K CA -0.317 56.145 56.287 0.292 0.000 1.014 390 K CB 1.047 33.694 32.500 0.245 0.000 1.286 390 K HN 0.473 nan 8.250 nan 0.000 0.480 391 L N 3.569 124.947 121.223 0.258 0.000 2.312 391 L HA 0.348 4.688 4.340 -0.000 0.000 0.281 391 L C -1.763 175.203 176.870 0.160 0.000 1.070 391 L CA -2.204 52.696 54.840 0.099 0.000 0.805 391 L CB 0.889 42.815 42.059 -0.223 0.000 1.174 391 L HN 0.276 nan 8.230 nan 0.000 0.434 392 P HA 0.121 nan 4.420 nan 0.000 0.258 392 P C -0.267 177.092 177.300 0.100 0.000 1.559 392 P CA 0.569 63.762 63.100 0.155 0.000 0.855 392 P CB -0.052 31.734 31.700 0.142 0.000 1.594 393 I N -2.270 118.320 120.570 0.033 0.000 2.957 393 I HA 0.642 4.812 4.170 -0.000 0.000 0.310 393 I C -0.196 175.779 176.117 -0.238 0.000 1.063 393 I CA -1.220 60.051 61.300 -0.048 0.000 1.033 393 I CB 2.077 40.021 38.000 -0.093 0.000 1.230 393 I HN -0.149 nan 8.210 nan 0.000 0.447 394 Q N 3.616 123.248 119.800 -0.281 0.000 2.256 394 Q HA 0.367 4.707 4.340 -0.000 0.000 0.232 394 Q C 0.296 176.096 176.000 -0.333 0.000 0.965 394 Q CA -0.470 54.884 55.803 -0.748 0.000 0.908 394 Q CB 0.570 29.305 28.738 -0.005 0.000 1.209 394 Q HN 0.681 nan 8.270 nan 0.000 0.489 395 K N 0.156 120.306 120.400 -0.417 0.000 2.025 395 K HA -0.145 4.175 4.320 -0.000 0.000 0.207 395 K C 1.754 178.486 176.600 0.220 0.000 1.049 395 K CA 1.676 57.987 56.287 0.040 0.000 0.933 395 K CB -0.078 32.411 32.500 -0.019 0.000 0.714 395 K HN 0.935 nan 8.250 nan 0.000 0.438 396 E N 0.682 120.970 120.200 0.146 0.000 2.085 396 E HA -0.156 4.193 4.350 -0.000 0.000 0.194 396 E C 1.478 178.134 176.600 0.092 0.000 0.994 396 E CA 1.824 58.291 56.400 0.113 0.000 0.801 396 E CB 0.074 29.831 29.700 0.095 0.000 0.743 396 E HN 0.320 nan 8.360 nan 0.000 0.453 397 T N 0.522 115.131 114.554 0.092 0.000 2.699 397 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 397 T C 1.448 176.198 174.700 0.083 0.000 1.036 397 T CA 1.314 63.442 62.100 0.047 0.000 1.147 397 T CB -0.621 68.251 68.868 0.006 0.000 0.862 397 T HN 0.436 nan 8.240 nan 0.000 0.446 398 W N 2.279 123.626 121.300 0.078 0.000 2.418 398 W HA -0.017 4.643 4.660 -0.000 0.000 0.292 398 W C 2.121 178.719 176.519 0.132 0.000 1.213 398 W CA 1.157 58.597 57.345 0.159 0.000 1.283 398 W CB -0.235 29.353 29.460 0.213 0.000 1.119 398 W HN 0.385 nan 8.180 nan 0.000 0.542 399 E N 0.103 120.359 120.200 0.094 0.000 2.021 399 E HA -0.295 4.055 4.350 -0.000 0.000 0.200 399 E C 2.137 178.457 176.600 -0.466 0.000 1.015 399 E CA 3.154 59.422 56.400 -0.220 0.000 0.824 399 E CB -0.499 29.162 29.700 -0.065 0.000 0.762 399 E HN 0.220 nan 8.360 nan 0.000 0.454 400 T N -1.097 113.321 114.554 -0.226 0.000 2.759 400 T HA -0.223 4.127 4.350 -0.000 0.000 0.269 400 T C 1.746 176.338 174.700 -0.180 0.000 1.042 400 T CA 1.325 63.311 62.100 -0.189 0.000 1.140 400 T CB -1.020 67.803 68.868 -0.076 0.000 0.864 400 T HN 0.506 nan 8.240 nan 0.000 0.455 401 W N 1.840 122.890 121.300 -0.416 0.000 2.309 401 W HA -0.159 4.501 4.660 -0.000 0.000 0.326 401 W C 2.507 178.826 176.519 -0.334 0.000 1.222 401 W CA 1.173 58.251 57.345 -0.444 0.000 1.237 401 W CB -0.500 28.562 29.460 -0.662 0.000 1.180 401 W HN 0.512 nan 8.180 nan 0.000 0.456 402 W N 2.559 123.413 121.300 -0.744 0.000 2.392 402 W HA -0.187 4.473 4.660 -0.000 0.000 0.279 402 W C 1.889 178.224 176.519 -0.306 0.000 1.225 402 W CA 1.890 58.860 57.345 -0.624 0.000 1.233 402 W CB -1.506 27.702 29.460 -0.420 0.000 1.122 402 W HN -0.044 nan 8.180 nan 0.000 0.561 403 T N -1.400 112.789 114.554 -0.607 0.000 2.962 403 T HA -0.178 4.172 4.350 -0.000 0.000 0.270 403 T C 1.485 176.149 174.700 -0.060 0.000 1.088 403 T CA 1.540 63.358 62.100 -0.471 0.000 1.127 403 T CB -0.214 68.300 68.868 -0.591 0.000 0.883 403 T HN 0.104 nan 8.240 nan 0.000 0.493 404 E N 0.219 120.367 120.200 -0.086 0.000 2.094 404 E HA 0.137 4.487 4.350 -0.000 0.000 0.193 404 E C 0.294 176.988 176.600 0.157 0.000 0.950 404 E CA -0.055 56.368 56.400 0.038 0.000 0.842 404 E CB -0.671 28.993 29.700 -0.061 0.000 0.816 404 E HN 0.503 nan 8.360 nan 0.000 0.465 405 Y N 1.414 121.486 120.300 -0.380 0.000 2.881 405 Y HA -0.224 4.326 4.550 -0.000 0.000 0.335 405 Y C 1.034 176.986 175.900 0.087 0.000 1.263 405 Y CA 0.200 58.055 58.100 -0.408 0.000 1.572 405 Y CB -0.034 37.760 38.460 -1.109 0.000 1.237 405 Y HN 0.221 nan 8.280 nan 0.000 0.568 406 W N 3.363 124.464 121.300 -0.331 0.000 2.678 406 W HA -0.060 4.600 4.660 -0.000 0.000 0.256 406 W C 0.621 176.859 176.519 -0.468 0.000 1.280 406 W CA 0.178 57.335 57.345 -0.313 0.000 1.345 406 W CB 0.346 29.676 29.460 -0.218 0.000 1.118 406 W HN 0.459 nan 8.180 nan 0.000 0.629 407 Q N 0.882 120.231 119.800 -0.750 0.000 2.288 407 Q HA 0.365 4.705 4.340 -0.000 0.000 0.258 407 Q C -0.035 175.705 176.000 -0.433 0.000 0.957 407 Q CA -0.501 54.870 55.803 -0.720 0.000 0.919 407 Q CB 1.244 29.279 28.738 -1.172 0.000 1.185 407 Q HN -0.061 nan 8.270 nan 0.000 0.408 408 A N 3.579 126.255 122.820 -0.240 0.000 2.511 408 A HA 0.395 4.715 4.320 -0.000 0.000 0.242 408 A C -0.378 177.195 177.584 -0.018 0.000 1.069 408 A CA 0.348 52.301 52.037 -0.141 0.000 0.763 408 A CB 0.359 19.270 19.000 -0.147 0.000 1.001 408 A HN 0.774 nan 8.150 nan 0.000 0.498 409 T N 2.114 116.708 114.554 0.067 0.000 2.802 409 T HA 0.696 5.046 4.350 -0.000 0.000 0.311 409 T C -0.844 174.100 174.700 0.406 0.000 1.405 409 T CA -0.352 61.902 62.100 0.256 0.000 1.016 409 T CB 1.553 70.646 68.868 0.374 0.000 1.352 409 T HN 1.448 nan 8.240 nan 0.000 0.498 410 W N 1.767 123.211 121.300 0.240 0.000 2.791 410 W HA 0.647 5.307 4.660 -0.000 0.000 0.419 410 W C -2.865 173.597 176.519 -0.095 0.000 1.082 410 W CA -1.309 56.131 57.345 0.159 0.000 1.154 410 W CB -0.026 29.420 29.460 -0.023 0.000 1.472 410 W HN 0.904 nan 8.180 nan 0.000 0.584 411 I N 0.450 120.209 120.570 -1.353 0.000 2.753 411 I HA 0.351 4.521 4.170 -0.000 0.000 0.291 411 I C -2.527 172.470 176.117 -1.867 0.000 1.425 411 I CA -1.976 58.432 61.300 -1.485 0.000 1.039 411 I CB 1.793 38.964 38.000 -1.382 0.000 1.349 411 I HN 0.034 nan 8.210 nan 0.000 0.430 412 P HA 0.019 nan 4.420 nan 0.000 0.312 412 P C -0.181 176.933 177.300 -0.310 0.000 1.307 412 P CA -0.155 62.480 63.100 -0.775 0.000 0.738 412 P CB 0.401 32.030 31.700 -0.118 0.000 1.422 413 E N 0.766 120.910 120.200 -0.094 0.000 3.089 413 E HA -0.099 4.250 4.350 -0.000 0.000 0.226 413 E C -0.615 176.038 176.600 0.089 0.000 1.083 413 E CA 0.010 56.401 56.400 -0.015 0.000 0.938 413 E CB -0.388 29.303 29.700 -0.014 0.000 0.942 413 E HN 0.272 nan 8.360 nan 0.000 0.549 414 W N 4.301 125.500 121.300 -0.169 0.000 2.702 414 W HA 0.517 5.177 4.660 -0.000 0.000 0.331 414 W C -0.537 175.945 176.519 -0.063 0.000 1.049 414 W CA -1.205 56.069 57.345 -0.119 0.000 1.230 414 W CB 0.261 29.576 29.460 -0.242 0.000 1.408 414 W HN 0.418 nan 8.180 nan 0.000 0.492 415 E N 1.748 122.018 120.200 0.117 0.000 3.188 415 E HA 0.412 4.762 4.350 -0.000 0.000 0.262 415 E C -1.504 175.180 176.600 0.139 0.000 1.341 415 E CA -0.788 55.630 56.400 0.029 0.000 1.140 415 E CB 0.976 30.730 29.700 0.091 0.000 1.306 415 E HN 0.242 nan 8.360 nan 0.000 0.694 416 F N 1.782 121.725 119.950 -0.013 0.000 2.610 416 F HA 0.335 4.862 4.527 -0.000 0.000 0.355 416 F C -1.184 174.665 175.800 0.081 0.000 1.140 416 F CA -0.867 57.163 58.000 0.051 0.000 1.037 416 F CB 0.579 39.552 39.000 -0.044 0.000 1.287 416 F HN 0.084 nan 8.300 nan 0.000 0.457 417 V N 5.256 125.501 119.914 0.553 0.000 2.973 417 V HA 0.405 4.525 4.120 -0.000 0.000 0.314 417 V C 0.120 176.430 176.094 0.360 0.000 1.066 417 V CA -0.735 61.764 62.300 0.332 0.000 1.021 417 V CB 1.947 33.920 31.823 0.249 0.000 1.076 417 V HN 0.758 nan 8.190 nan 0.000 0.462 418 N N 0.517 119.329 118.700 0.186 0.000 2.636 418 N HA 0.094 4.834 4.740 -0.000 0.000 0.287 418 N C -0.057 175.509 175.510 0.093 0.000 1.817 418 N CA 0.320 53.462 53.050 0.153 0.000 0.842 418 N CB 0.606 39.127 38.487 0.056 0.000 1.353 418 N HN 0.836 nan 8.380 nan 0.000 0.500 419 T N -1.599 113.013 114.554 0.097 0.000 3.415 419 T HA 0.437 4.787 4.350 -0.000 0.000 0.282 419 T C -2.647 172.088 174.700 0.058 0.000 1.007 419 T CA -0.730 61.409 62.100 0.065 0.000 0.958 419 T CB 0.898 69.800 68.868 0.056 0.000 1.171 419 T HN 0.225 nan 8.240 nan 0.000 0.500 420 P HA 0.617 nan 4.420 nan 0.000 0.311 420 P C -3.335 173.980 177.300 0.026 0.000 1.044 420 P CA -1.467 61.655 63.100 0.038 0.000 1.027 420 P CB 0.656 32.383 31.700 0.046 0.000 1.372 421 P HA 0.408 nan 4.420 nan 0.000 0.214 421 P C -0.160 177.133 177.300 -0.011 0.000 1.849 421 P CA -0.345 62.755 63.100 0.001 0.000 1.022 421 P CB -0.432 31.253 31.700 -0.025 0.000 1.912 422 L N 0.668 121.903 121.223 0.020 0.000 2.931 422 L HA -0.138 4.202 4.340 -0.000 0.000 0.321 422 L C 0.583 177.424 176.870 -0.049 0.000 1.210 422 L CA 0.618 55.470 54.840 0.019 0.000 0.856 422 L CB -0.031 42.067 42.059 0.065 0.000 1.164 422 L HN 0.078 nan 8.230 nan 0.000 0.527 423 V N 2.397 122.270 119.914 -0.068 0.000 2.607 423 V HA 0.790 4.910 4.120 -0.000 0.000 0.289 423 V C 0.470 176.438 176.094 -0.210 0.000 1.053 423 V CA -0.050 62.160 62.300 -0.150 0.000 0.996 423 V CB 0.999 32.805 31.823 -0.028 0.000 0.995 423 V HN 0.846 nan 8.190 nan 0.000 0.476 424 K N 3.092 123.245 120.400 -0.412 0.000 2.610 424 K HA 0.712 5.032 4.320 -0.000 0.000 0.278 424 K C -1.456 174.715 176.600 -0.715 0.000 0.964 424 K CA -0.838 55.189 56.287 -0.434 0.000 0.859 424 K CB 0.860 33.176 32.500 -0.306 0.000 1.434 424 K HN 0.485 nan 8.250 nan 0.000 0.410 425 L N 1.634 122.542 121.223 -0.525 0.000 2.319 425 L HA 0.448 4.788 4.340 -0.000 0.000 0.280 425 L C 1.403 178.044 176.870 -0.381 0.000 1.099 425 L CA -0.147 54.361 54.840 -0.553 0.000 0.828 425 L CB 0.155 41.984 42.059 -0.383 0.000 1.150 425 L HN 0.932 nan 8.230 nan 0.000 0.442 426 W N 1.793 123.023 121.300 -0.117 0.000 2.200 426 W HA -0.082 4.578 4.660 -0.000 0.000 0.314 426 W C 0.854 177.412 176.519 0.065 0.000 1.133 426 W CA 0.380 57.737 57.345 0.019 0.000 1.157 426 W CB -0.601 28.955 29.460 0.160 0.000 1.193 426 W HN 0.468 nan 8.180 nan 0.000 0.458 427 Y N -0.029 120.431 120.300 0.267 0.000 2.282 427 Y HA 0.429 4.979 4.550 -0.000 0.000 0.335 427 Y C 0.001 175.956 175.900 0.092 0.000 1.335 427 Y CA -1.796 56.391 58.100 0.145 0.000 1.529 427 Y CB -0.171 38.356 38.460 0.112 0.000 1.429 427 Y HN 0.123 nan 8.280 nan 0.000 0.563 428 Q N 1.394 121.335 119.800 0.234 0.000 2.526 428 Q HA 0.266 4.605 4.340 -0.000 0.000 0.238 428 Q C -1.996 174.096 176.000 0.153 0.000 0.866 428 Q CA -0.518 55.352 55.803 0.112 0.000 0.801 428 Q CB 1.127 29.906 28.738 0.068 0.000 1.380 428 Q HN 0.789 nan 8.270 nan 0.000 0.446 429 L N 3.856 125.173 121.223 0.156 0.000 2.597 429 L HA 0.107 4.446 4.340 -0.000 0.000 0.271 429 L C 0.665 177.597 176.870 0.104 0.000 1.157 429 L CA 0.903 55.823 54.840 0.133 0.000 0.928 429 L CB 0.282 42.397 42.059 0.094 0.000 1.216 429 L HN 0.647 nan 8.230 nan 0.000 0.481 430 E N 4.140 124.414 120.200 0.124 0.000 2.465 430 E HA -0.071 4.279 4.350 -0.000 0.000 0.260 430 E C 0.989 177.672 176.600 0.138 0.000 0.980 430 E CA 0.022 56.488 56.400 0.110 0.000 0.927 430 E CB 0.968 30.725 29.700 0.095 0.000 0.934 430 E HN 0.432 nan 8.360 nan 0.000 0.459 431 K N 1.781 122.232 120.400 0.085 0.000 2.074 431 K HA -0.140 4.180 4.320 -0.000 0.000 0.209 431 K C 0.499 177.168 176.600 0.114 0.000 1.048 431 K CA 1.136 57.471 56.287 0.080 0.000 0.926 431 K CB 0.117 32.642 32.500 0.043 0.000 0.713 431 K HN 0.358 nan 8.250 nan 0.000 0.444 432 E N 0.559 120.791 120.200 0.054 0.000 2.195 432 E HA 0.250 4.600 4.350 -0.000 0.000 0.271 432 E C -2.512 173.966 176.600 -0.203 0.000 0.923 432 E CA -2.858 53.508 56.400 -0.056 0.000 0.790 432 E CB 1.278 30.940 29.700 -0.063 0.000 1.155 432 E HN -0.005 nan 8.360 nan 0.000 0.402 433 P HA 0.045 nan 4.420 nan 0.000 0.267 433 P C 0.166 177.256 177.300 -0.350 0.000 1.205 433 P CA -0.438 62.124 63.100 -0.898 0.000 0.765 433 P CB 0.445 31.426 31.700 -1.198 0.000 0.828 434 I N 4.867 125.321 120.570 -0.194 0.000 2.581 434 I HA -0.035 4.135 4.170 -0.000 0.000 0.285 434 I C -0.416 175.636 176.117 -0.109 0.000 1.129 434 I CA -0.227 61.011 61.300 -0.103 0.000 1.397 434 I CB -0.016 37.960 38.000 -0.039 0.000 1.399 434 I HN 0.036 nan 8.210 nan 0.000 0.537 435 V N 8.660 128.519 119.914 -0.091 0.000 2.415 435 V HA 0.506 4.626 4.120 -0.000 0.000 0.267 435 V C 1.114 177.174 176.094 -0.056 0.000 1.042 435 V CA 0.569 62.823 62.300 -0.077 0.000 1.000 435 V CB -0.185 31.600 31.823 -0.063 0.000 1.015 435 V HN 1.166 nan 8.190 nan 0.000 0.478 436 G N 3.657 112.422 108.800 -0.058 0.000 2.327 436 G HA2 0.284 4.244 3.960 -0.000 0.000 0.159 436 G HA3 0.284 4.244 3.960 -0.000 0.000 0.159 436 G C -0.191 174.678 174.900 -0.052 0.000 1.056 436 G CA 0.060 45.132 45.100 -0.047 0.000 0.751 436 G HN 1.509 nan 8.290 nan 0.000 0.488 437 A N -0.672 122.105 122.820 -0.072 0.000 2.609 437 A HA 0.841 5.161 4.320 -0.000 0.000 0.291 437 A C -0.243 177.251 177.584 -0.150 0.000 1.096 437 A CA -0.616 51.368 52.037 -0.088 0.000 0.684 437 A CB 1.011 19.975 19.000 -0.061 0.000 1.282 437 A HN 0.370 nan 8.150 nan 0.000 0.412 438 E N 0.810 120.862 120.200 -0.246 0.000 2.360 438 E HA 0.271 4.620 4.350 -0.000 0.000 0.269 438 E C 0.266 176.605 176.600 -0.435 0.000 1.022 438 E CA 0.515 56.637 56.400 -0.463 0.000 0.887 438 E CB 0.656 29.786 29.700 -0.949 0.000 0.990 438 E HN 0.608 nan 8.360 nan 0.000 0.426 439 T N 1.630 115.985 114.554 -0.330 0.000 3.285 439 T HA 0.147 4.496 4.350 -0.000 0.000 0.232 439 T C -0.082 174.479 174.700 -0.233 0.000 0.973 439 T CA -0.707 61.243 62.100 -0.251 0.000 1.023 439 T CB -0.750 67.999 68.868 -0.199 0.000 1.158 439 T HN 0.206 nan 8.240 nan 0.000 0.590 440 F N 2.846 122.763 119.950 -0.055 0.000 2.327 440 F HA 0.079 4.606 4.527 -0.000 0.000 0.340 440 F C 0.391 176.191 175.800 0.001 0.000 1.125 440 F CA -0.546 57.453 58.000 -0.002 0.000 0.910 440 F CB -1.266 37.643 39.000 -0.153 0.000 0.934 440 F HN 0.425 nan 8.300 nan 0.000 0.548 441 Y N 1.838 122.294 120.300 0.259 0.000 2.587 441 Y HA 0.311 4.861 4.550 -0.000 0.000 0.344 441 Y C 0.577 176.606 175.900 0.216 0.000 1.061 441 Y CA -0.403 57.801 58.100 0.173 0.000 1.370 441 Y CB 0.112 38.644 38.460 0.119 0.000 1.163 441 Y HN 0.146 nan 8.280 nan 0.000 0.527 442 V N 3.163 123.238 119.914 0.269 0.000 3.109 442 V HA 0.516 4.636 4.120 -0.000 0.000 0.317 442 V C -0.070 176.133 176.094 0.182 0.000 1.074 442 V CA -0.595 61.839 62.300 0.223 0.000 1.033 442 V CB 1.889 33.781 31.823 0.116 0.000 1.111 442 V HN 0.737 nan 8.190 nan 0.000 0.458 443 D N -1.386 119.108 120.400 0.155 0.000 2.807 443 D HA 0.554 5.194 4.640 -0.000 0.000 0.279 443 D C -0.753 175.605 176.300 0.096 0.000 1.247 443 D CA 0.392 54.462 54.000 0.117 0.000 0.749 443 D CB 2.141 43.008 40.800 0.111 0.000 1.264 443 D HN 0.948 nan 8.370 nan 0.000 0.421 444 G N -0.815 108.031 108.800 0.077 0.000 2.576 444 G HA2 0.864 4.824 3.960 -0.000 0.000 0.290 444 G HA3 0.864 4.824 3.960 -0.000 0.000 0.290 444 G C -1.811 173.119 174.900 0.049 0.000 1.442 444 G CA 0.181 45.315 45.100 0.056 0.000 0.792 444 G HN 0.811 nan 8.290 nan 0.000 0.491 445 A N -1.353 121.488 122.820 0.035 0.000 2.586 445 A HA 1.057 5.377 4.320 -0.000 0.000 0.291 445 A C -0.960 176.635 177.584 0.019 0.000 1.062 445 A CA 0.177 52.233 52.037 0.032 0.000 0.666 445 A CB 1.150 20.172 19.000 0.037 0.000 1.281 445 A HN 2.624 nan 8.150 nan 0.000 0.421 446 A N 1.189 124.019 122.820 0.016 0.000 2.500 446 A HA 0.615 4.934 4.320 -0.000 0.000 0.291 446 A C -0.925 176.665 177.584 0.010 0.000 1.048 446 A CA -0.478 51.565 52.037 0.009 0.000 0.791 446 A CB 0.890 19.892 19.000 0.003 0.000 1.309 446 A HN 1.099 nan 8.150 nan 0.000 0.397 447 N N 2.296 121.001 118.700 0.008 0.000 2.468 447 N HA 0.008 4.748 4.740 -0.000 0.000 0.265 447 N C 1.249 176.764 175.510 0.008 0.000 1.199 447 N CA 0.009 53.063 53.050 0.008 0.000 0.928 447 N CB 0.794 39.284 38.487 0.005 0.000 1.059 447 N HN 0.821 nan 8.380 nan 0.000 0.467 448 R N 2.826 123.332 120.500 0.010 0.000 2.140 448 R HA -0.265 4.074 4.340 -0.000 0.000 0.250 448 R C 1.443 177.748 176.300 0.008 0.000 1.150 448 R CA 2.654 58.760 56.100 0.010 0.000 0.966 448 R CB -0.060 30.247 30.300 0.012 0.000 0.869 448 R HN 0.797 nan 8.270 nan 0.000 0.445 449 E N -0.799 119.406 120.200 0.007 0.000 2.452 449 E HA -0.026 4.324 4.350 -0.000 0.000 0.197 449 E C 1.488 178.091 176.600 0.005 0.000 1.022 449 E CA 0.715 57.119 56.400 0.006 0.000 0.890 449 E CB -0.292 29.411 29.700 0.006 0.000 0.918 449 E HN 0.727 nan 8.360 nan 0.000 0.496 450 T N -1.979 112.578 114.554 0.005 0.000 3.023 450 T HA 0.027 4.377 4.350 -0.000 0.000 0.266 450 T C 1.407 176.110 174.700 0.004 0.000 1.093 450 T CA 0.852 62.954 62.100 0.004 0.000 1.129 450 T CB -0.201 68.669 68.868 0.004 0.000 0.899 450 T HN 0.480 nan 8.240 nan 0.000 0.491 451 K N -0.124 120.279 120.400 0.005 0.000 3.529 451 K HA -0.178 4.142 4.320 -0.000 0.000 0.313 451 K C -0.285 176.318 176.600 0.005 0.000 1.316 451 K CA 1.161 57.451 56.287 0.005 0.000 0.988 451 K CB -2.208 30.295 32.500 0.005 0.000 1.252 451 K HN 0.608 nan 8.250 nan 0.000 0.438 452 L N -3.481 117.745 121.223 0.005 0.000 2.303 452 L HA 0.966 5.306 4.340 -0.000 0.000 0.256 452 L C 0.144 177.017 176.870 0.005 0.000 1.034 452 L CA -0.562 54.281 54.840 0.005 0.000 0.832 452 L CB 2.372 44.434 42.059 0.004 0.000 1.403 452 L HN -0.046 nan 8.230 nan 0.000 0.419 453 G N -0.013 108.791 108.800 0.006 0.000 2.547 453 G HA2 0.562 4.522 3.960 -0.000 0.000 0.291 453 G HA3 0.562 4.522 3.960 -0.000 0.000 0.291 453 G C -2.053 172.853 174.900 0.009 0.000 1.471 453 G CA -1.006 44.099 45.100 0.007 0.000 0.798 453 G HN 0.513 nan 8.290 nan 0.000 0.504 454 K N -0.056 120.350 120.400 0.010 0.000 2.182 454 K HA 0.780 5.100 4.320 -0.000 0.000 0.262 454 K C 0.188 176.800 176.600 0.020 0.000 0.957 454 K CA -0.212 56.081 56.287 0.010 0.000 0.842 454 K CB 2.152 34.654 32.500 0.002 0.000 1.099 454 K HN 0.813 nan 8.250 nan 0.000 0.438 455 A N 1.402 124.237 122.820 0.025 0.000 2.299 455 A HA 0.949 5.269 4.320 -0.000 0.000 0.332 455 A C -0.119 177.491 177.584 0.043 0.000 1.131 455 A CA -0.125 51.940 52.037 0.045 0.000 0.844 455 A CB 1.308 20.343 19.000 0.058 0.000 1.251 455 A HN 0.733 nan 8.150 nan 0.000 0.486 456 G N -1.420 107.431 108.800 0.085 0.000 2.324 456 G HA2 0.597 4.557 3.960 -0.000 0.000 0.293 456 G HA3 0.597 4.557 3.960 -0.000 0.000 0.293 456 G C -1.295 173.713 174.900 0.180 0.000 1.297 456 G CA 0.145 45.283 45.100 0.064 0.000 0.853 456 G HN 2.236 nan 8.290 nan 0.000 0.535 457 Y N -3.274 117.040 120.300 0.023 0.000 2.741 457 Y HA 0.800 5.350 4.550 -0.000 0.000 0.339 457 Y C -1.253 174.714 175.900 0.113 0.000 1.226 457 Y CA -1.462 56.683 58.100 0.075 0.000 1.072 457 Y CB 0.952 39.447 38.460 0.059 0.000 1.331 457 Y HN 0.802 nan 8.280 nan 0.000 0.453 458 V N 0.968 121.100 119.914 0.364 0.000 3.001 458 V HA 0.772 4.891 4.120 -0.000 0.000 0.314 458 V C -0.486 175.934 176.094 0.544 0.000 1.099 458 V CA -0.387 62.087 62.300 0.291 0.000 0.989 458 V CB 2.044 33.958 31.823 0.152 0.000 1.040 458 V HN 1.018 nan 8.190 nan 0.000 0.434 459 T N 0.629 115.429 114.554 0.411 0.000 2.926 459 T HA 0.290 4.640 4.350 -0.000 0.000 0.289 459 T C 0.961 175.752 174.700 0.152 0.000 1.054 459 T CA -0.219 62.059 62.100 0.297 0.000 1.015 459 T CB 1.191 70.170 68.868 0.185 0.000 1.167 459 T HN 0.887 nan 8.240 nan 0.000 0.526 460 N N 1.404 120.134 118.700 0.049 0.000 2.513 460 N HA -0.124 4.616 4.740 -0.000 0.000 0.187 460 N C 0.639 176.165 175.510 0.026 0.000 1.056 460 N CA 1.030 54.112 53.050 0.053 0.000 0.907 460 N CB -0.483 37.996 38.487 -0.014 0.000 0.954 460 N HN 0.717 nan 8.380 nan 0.000 0.445 461 K N -2.111 118.302 120.400 0.022 0.000 2.726 461 K HA 0.480 4.800 4.320 -0.000 0.000 0.209 461 K C 0.827 177.450 176.600 0.039 0.000 1.082 461 K CA -0.099 56.201 56.287 0.022 0.000 1.081 461 K CB 0.037 32.544 32.500 0.012 0.000 0.830 461 K HN 0.048 nan 8.250 nan 0.000 0.470 462 G N 2.312 111.140 108.800 0.047 0.000 2.353 462 G HA2 -0.417 3.542 3.960 -0.000 0.000 0.258 462 G HA3 -0.417 3.542 3.960 -0.000 0.000 0.258 462 G C 0.290 175.223 174.900 0.054 0.000 1.013 462 G CA 0.513 45.636 45.100 0.040 0.000 0.622 462 G HN 0.546 nan 8.290 nan 0.000 0.535 463 R N 1.571 122.121 120.500 0.083 0.000 2.501 463 R HA 0.146 4.485 4.340 -0.000 0.000 0.319 463 R C 0.304 176.647 176.300 0.071 0.000 0.913 463 R CA 0.842 56.999 56.100 0.095 0.000 1.104 463 R CB -0.024 30.377 30.300 0.169 0.000 0.901 463 R HN 0.622 nan 8.270 nan 0.000 0.407 464 Q N 3.057 122.842 119.800 -0.025 0.000 2.333 464 Q HA 0.507 4.847 4.340 -0.000 0.000 0.266 464 Q C -0.883 174.954 176.000 -0.273 0.000 1.053 464 Q CA -0.917 54.809 55.803 -0.130 0.000 0.890 464 Q CB 2.293 30.980 28.738 -0.085 0.000 1.337 464 Q HN 0.530 nan 8.270 nan 0.000 0.474 465 K N -0.530 119.624 120.400 -0.409 0.000 2.615 465 K HA 0.687 5.007 4.320 -0.000 0.000 0.291 465 K C -2.074 174.349 176.600 -0.295 0.000 1.017 465 K CA -0.562 55.470 56.287 -0.425 0.000 0.882 465 K CB 2.224 34.262 32.500 -0.770 0.000 1.522 465 K HN 0.374 nan 8.250 nan 0.000 0.412 466 V N 0.936 120.741 119.914 -0.183 0.000 3.106 466 V HA 0.418 4.538 4.120 -0.000 0.000 0.280 466 V C -1.799 174.261 176.094 -0.056 0.000 1.525 466 V CA -0.861 61.382 62.300 -0.095 0.000 0.999 466 V CB 2.281 34.063 31.823 -0.069 0.000 1.186 466 V HN 0.493 nan 8.190 nan 0.000 0.448 467 V N 5.124 125.024 119.914 -0.024 0.000 2.624 467 V HA 0.415 4.535 4.120 -0.000 0.000 0.294 467 V C -2.492 173.602 176.094 0.000 0.000 1.077 467 V CA -1.078 61.216 62.300 -0.010 0.000 0.905 467 V CB 2.552 34.376 31.823 0.001 0.000 1.025 467 V HN 0.755 nan 8.190 nan 0.000 0.440 468 P HA 0.527 nan 4.420 nan 0.000 0.274 468 P C -1.364 175.940 177.300 0.007 0.000 1.246 468 P CA -0.229 62.872 63.100 0.002 0.000 0.795 468 P CB 1.669 33.369 31.700 -0.002 0.000 1.006 469 L N 0.073 121.302 121.223 0.009 0.000 2.469 469 L HA 0.603 4.943 4.340 -0.000 0.000 0.256 469 L C 0.123 176.999 176.870 0.010 0.000 1.006 469 L CA -0.387 54.460 54.840 0.012 0.000 0.832 469 L CB 1.863 43.933 42.059 0.018 0.000 1.421 469 L HN 0.260 nan 8.230 nan 0.000 0.410 470 T N -0.498 114.062 114.554 0.010 0.000 2.924 470 T HA 0.464 4.814 4.350 -0.000 0.000 0.291 470 T C 0.178 174.883 174.700 0.009 0.000 1.045 470 T CA -0.552 61.553 62.100 0.008 0.000 1.015 470 T CB 1.521 70.393 68.868 0.007 0.000 1.103 470 T HN 0.697 nan 8.240 nan 0.000 0.496 471 N N -0.444 118.261 118.700 0.008 0.000 2.936 471 N HA -0.162 4.578 4.740 -0.000 0.000 0.236 471 N C 0.282 175.796 175.510 0.007 0.000 0.930 471 N CA 1.785 54.840 53.050 0.008 0.000 0.966 471 N CB -1.555 36.938 38.487 0.010 0.000 1.090 471 N HN 0.903 nan 8.380 nan 0.000 0.592 472 T N -1.859 112.699 114.554 0.006 0.000 2.944 472 T HA 0.681 5.031 4.350 -0.000 0.000 0.284 472 T C 0.611 175.309 174.700 -0.005 0.000 1.010 472 T CA 0.016 62.117 62.100 0.002 0.000 1.025 472 T CB 2.706 71.576 68.868 0.004 0.000 1.079 472 T HN 0.221 nan 8.240 nan 0.000 0.516 473 T N -0.912 113.632 114.554 -0.017 0.000 2.940 473 T HA 0.424 4.774 4.350 -0.000 0.000 0.288 473 T C 1.172 175.846 174.700 -0.042 0.000 1.045 473 T CA -1.037 61.048 62.100 -0.025 0.000 1.018 473 T CB 1.176 70.027 68.868 -0.028 0.000 1.151 473 T HN 0.551 nan 8.240 nan 0.000 0.529 474 N N 0.486 119.164 118.700 -0.036 0.000 2.073 474 N HA -0.247 4.493 4.740 -0.000 0.000 0.199 474 N C 1.704 177.158 175.510 -0.093 0.000 1.023 474 N CA 2.039 55.067 53.050 -0.037 0.000 0.880 474 N CB -0.312 38.164 38.487 -0.019 0.000 1.052 474 N HN 0.603 nan 8.380 nan 0.000 0.449 475 Q N 0.751 120.449 119.800 -0.170 0.000 2.224 475 Q HA 0.057 4.396 4.340 -0.000 0.000 0.203 475 Q C 1.834 177.604 176.000 -0.385 0.000 0.970 475 Q CA 0.971 56.537 55.803 -0.395 0.000 0.865 475 Q CB 0.058 28.479 28.738 -0.528 0.000 0.922 475 Q HN 0.307 nan 8.270 nan 0.000 0.445 476 K N -0.542 119.744 120.400 -0.190 0.000 2.116 476 K HA -0.053 4.267 4.320 -0.000 0.000 0.203 476 K C 2.132 178.703 176.600 -0.050 0.000 1.052 476 K CA 1.519 57.746 56.287 -0.101 0.000 0.952 476 K CB 0.049 32.520 32.500 -0.048 0.000 0.729 476 K HN 0.436 nan 8.250 nan 0.000 0.446 477 T N -0.896 113.635 114.554 -0.038 0.000 2.668 477 T HA -0.153 4.197 4.350 -0.000 0.000 0.262 477 T C 1.809 176.520 174.700 0.018 0.000 1.045 477 T CA 1.144 63.245 62.100 0.002 0.000 1.152 477 T CB -0.426 68.448 68.868 0.010 0.000 0.864 477 T HN 0.168 nan 8.240 nan 0.000 0.419 478 E N 0.433 120.637 120.200 0.007 0.000 2.171 478 E HA -0.097 4.253 4.350 -0.000 0.000 0.197 478 E C 1.922 178.555 176.600 0.056 0.000 0.997 478 E CA 0.915 57.340 56.400 0.040 0.000 0.810 478 E CB -0.255 29.470 29.700 0.043 0.000 0.738 478 E HN 0.370 nan 8.360 nan 0.000 0.467 479 L N 0.063 121.307 121.223 0.034 0.000 2.162 479 L HA -0.084 4.256 4.340 -0.000 0.000 0.205 479 L C 2.263 179.163 176.870 0.051 0.000 1.086 479 L CA 1.450 56.328 54.840 0.063 0.000 0.778 479 L CB -0.248 41.862 42.059 0.085 0.000 0.928 479 L HN 0.037 nan 8.230 nan 0.000 0.446 480 Q N -0.431 119.397 119.800 0.048 0.000 2.020 480 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 480 Q C 2.190 178.262 176.000 0.120 0.000 0.982 480 Q CA 2.189 58.038 55.803 0.078 0.000 0.838 480 Q CB -0.333 28.442 28.738 0.062 0.000 0.899 480 Q HN 0.525 nan 8.270 nan 0.000 0.423 481 A N 0.630 123.507 122.820 0.095 0.000 1.940 481 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 481 A C 2.024 179.656 177.584 0.080 0.000 1.176 481 A CA 1.424 53.525 52.037 0.108 0.000 0.631 481 A CB -0.821 18.246 19.000 0.111 0.000 0.814 481 A HN 0.535 nan 8.150 nan 0.000 0.446 482 I N -1.312 119.299 120.570 0.068 0.000 2.194 482 I HA -0.267 3.902 4.170 -0.000 0.000 0.246 482 I C 2.376 178.519 176.117 0.044 0.000 1.093 482 I CA 1.667 62.986 61.300 0.032 0.000 1.355 482 I CB -1.238 36.785 38.000 0.039 0.000 1.046 482 I HN 0.515 nan 8.210 nan 0.000 0.413 483 Y N 1.964 122.220 120.300 -0.074 0.000 2.030 483 Y HA -0.259 4.291 4.550 -0.000 0.000 0.274 483 Y C 2.603 178.419 175.900 -0.140 0.000 1.153 483 Y CA 1.532 59.578 58.100 -0.090 0.000 1.115 483 Y CB -0.962 37.467 38.460 -0.052 0.000 0.969 483 Y HN 0.071 nan 8.280 nan 0.000 0.488 484 L N -0.301 120.870 121.223 -0.086 0.000 2.064 484 L HA -0.353 3.986 4.340 -0.000 0.000 0.216 484 L C 2.714 179.257 176.870 -0.545 0.000 1.077 484 L CA 1.639 56.354 54.840 -0.209 0.000 0.766 484 L CB -1.292 40.833 42.059 0.110 0.000 0.890 484 L HN 0.290 nan 8.230 nan 0.000 0.435 485 A N 0.357 122.742 122.820 -0.726 0.000 1.873 485 A HA -0.121 4.199 4.320 -0.000 0.000 0.215 485 A C 2.240 179.456 177.584 -0.613 0.000 1.186 485 A CA 1.523 52.892 52.037 -1.114 0.000 0.616 485 A CB -0.707 17.876 19.000 -0.695 0.000 0.823 485 A HN 0.396 nan 8.150 nan 0.000 0.442 486 L N -0.686 120.371 121.223 -0.277 0.000 2.131 486 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 486 L C 2.775 179.558 176.870 -0.145 0.000 1.092 486 L CA 1.425 56.196 54.840 -0.115 0.000 0.759 486 L CB -0.732 41.337 42.059 0.017 0.000 0.903 486 L HN 0.465 nan 8.230 nan 0.000 0.435 487 Q N 0.139 119.780 119.800 -0.266 0.000 1.922 487 Q HA -0.093 4.247 4.340 -0.000 0.000 0.201 487 Q C 0.242 176.116 176.000 -0.210 0.000 0.979 487 Q CA 0.869 56.500 55.803 -0.286 0.000 0.841 487 Q CB -0.177 28.280 28.738 -0.467 0.000 0.903 487 Q HN 0.370 nan 8.270 nan 0.000 0.431 488 D N 1.965 122.201 120.400 -0.273 0.000 2.540 488 D HA 0.082 4.722 4.640 -0.000 0.000 0.237 488 D C -0.724 175.492 176.300 -0.141 0.000 1.181 488 D CA 0.373 54.265 54.000 -0.180 0.000 1.119 488 D CB -0.330 40.395 40.800 -0.125 0.000 1.119 488 D HN 0.187 nan 8.370 nan 0.000 0.498 489 S N -1.789 113.924 115.700 0.023 0.000 2.714 489 S HA 0.478 4.948 4.470 -0.000 0.000 0.284 489 S C 0.451 175.102 174.600 0.085 0.000 1.019 489 S CA -0.832 57.483 58.200 0.192 0.000 0.856 489 S CB 0.835 64.265 63.200 0.385 0.000 1.075 489 S HN 0.229 nan 8.310 nan 0.000 0.455 490 G N 0.476 109.327 108.800 0.085 0.000 3.107 490 G HA2 0.377 4.337 3.960 -0.000 0.000 0.155 490 G HA3 0.377 4.337 3.960 -0.000 0.000 0.155 490 G C 0.644 175.566 174.900 0.037 0.000 1.875 490 G CA -0.130 44.998 45.100 0.046 0.000 1.004 490 G HN 0.717 nan 8.290 nan 0.000 0.480 491 L N -0.072 121.170 121.223 0.032 0.000 2.463 491 L HA 0.289 4.629 4.340 -0.000 0.000 0.219 491 L C 0.624 177.516 176.870 0.036 0.000 1.088 491 L CA 0.500 55.357 54.840 0.030 0.000 0.849 491 L CB -0.034 42.040 42.059 0.025 0.000 1.012 491 L HN 0.359 nan 8.230 nan 0.000 0.468 492 E N 0.220 120.441 120.200 0.035 0.000 2.183 492 E HA 0.559 4.908 4.350 -0.000 0.000 0.271 492 E C -1.240 175.385 176.600 0.042 0.000 0.919 492 E CA -0.241 56.179 56.400 0.033 0.000 0.781 492 E CB 3.369 33.077 29.700 0.013 0.000 1.140 492 E HN -0.211 nan 8.360 nan 0.000 0.402 493 V N 2.816 122.761 119.914 0.052 0.000 3.108 493 V HA 0.220 4.340 4.120 -0.000 0.000 0.287 493 V C -1.861 174.285 176.094 0.088 0.000 1.436 493 V CA -0.665 61.676 62.300 0.067 0.000 1.001 493 V CB 2.397 34.310 31.823 0.150 0.000 1.141 493 V HN 0.731 nan 8.190 nan 0.000 0.443 494 N N 4.701 123.437 118.700 0.059 0.000 2.479 494 N HA 0.564 5.304 4.740 -0.000 0.000 0.261 494 N C -1.364 174.193 175.510 0.077 0.000 0.979 494 N CA -0.354 52.776 53.050 0.133 0.000 0.930 494 N CB 1.677 40.203 38.487 0.064 0.000 1.172 494 N HN 0.459 nan 8.380 nan 0.000 0.499 495 I N 2.665 123.276 120.570 0.068 0.000 2.328 495 I HA 0.210 4.380 4.170 -0.000 0.000 0.287 495 I C 0.007 176.083 176.117 -0.067 0.000 1.012 495 I CA -0.634 60.675 61.300 0.014 0.000 1.195 495 I CB 1.531 39.534 38.000 0.006 0.000 1.350 495 I HN 0.093 nan 8.210 nan 0.000 0.464 496 V N 6.197 126.045 119.914 -0.111 0.000 2.350 496 V HA 0.481 4.601 4.120 -0.000 0.000 0.276 496 V C 0.270 176.356 176.094 -0.012 0.000 1.028 496 V CA -0.291 61.929 62.300 -0.133 0.000 0.860 496 V CB 1.142 32.745 31.823 -0.366 0.000 0.990 496 V HN 0.828 nan 8.190 nan 0.000 0.453 497 T N 2.465 117.020 114.554 0.002 0.000 2.950 497 T HA 0.443 4.793 4.350 -0.000 0.000 0.288 497 T C 0.212 174.906 174.700 -0.011 0.000 1.035 497 T CA -0.524 61.608 62.100 0.054 0.000 1.028 497 T CB 1.792 70.728 68.868 0.113 0.000 1.109 497 T HN 0.793 nan 8.240 nan 0.000 0.514 498 D N -1.185 119.231 120.400 0.026 0.000 2.513 498 D HA 0.126 4.765 4.640 -0.000 0.000 0.222 498 D C 0.032 176.478 176.300 0.242 0.000 1.210 498 D CA -0.321 53.628 54.000 -0.085 0.000 0.825 498 D CB 0.170 40.917 40.800 -0.088 0.000 1.037 498 D HN 0.310 nan 8.370 nan 0.000 0.506 499 S N 0.283 116.186 115.700 0.338 0.000 2.438 499 S HA 0.201 4.671 4.470 -0.000 0.000 0.316 499 S C 0.897 175.715 174.600 0.364 0.000 1.084 499 S CA -0.414 57.983 58.200 0.329 0.000 1.107 499 S CB 1.556 64.884 63.200 0.212 0.000 0.981 499 S HN 0.033 nan 8.310 nan 0.000 0.466 500 Q N 3.084 123.008 119.800 0.207 0.000 2.230 500 Q HA -0.101 4.239 4.340 -0.000 0.000 0.202 500 Q C 1.150 177.158 176.000 0.013 0.000 0.963 500 Q CA 1.401 57.138 55.803 -0.110 0.000 0.866 500 Q CB -0.162 28.398 28.738 -0.297 0.000 0.931 500 Q HN 0.959 nan 8.270 nan 0.000 0.452 501 Y N 0.994 121.289 120.300 -0.007 0.000 2.089 501 Y HA -0.311 4.238 4.550 -0.000 0.000 0.282 501 Y C 2.284 178.187 175.900 0.006 0.000 1.139 501 Y CA 1.567 59.671 58.100 0.006 0.000 1.123 501 Y CB -0.292 38.186 38.460 0.030 0.000 0.980 501 Y HN 0.100 nan 8.280 nan 0.000 0.493 502 A N 0.600 123.645 122.820 0.374 0.000 1.859 502 A HA -0.275 4.045 4.320 -0.000 0.000 0.217 502 A C 2.186 179.814 177.584 0.072 0.000 1.198 502 A CA 2.004 54.181 52.037 0.232 0.000 0.629 502 A CB -1.480 17.634 19.000 0.190 0.000 0.830 502 A HN 0.640 nan 8.150 nan 0.000 0.446 503 L N 0.197 121.461 121.223 0.068 0.000 2.043 503 L HA -0.109 4.231 4.340 -0.000 0.000 0.212 503 L C 2.312 179.154 176.870 -0.048 0.000 1.075 503 L CA 2.653 57.498 54.840 0.008 0.000 0.752 503 L CB -1.118 40.953 42.059 0.020 0.000 0.891 503 L HN 0.310 nan 8.230 nan 0.000 0.432 504 G N 0.032 108.783 108.800 -0.082 0.000 2.433 504 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.216 504 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.216 504 G C 1.572 176.418 174.900 -0.090 0.000 1.186 504 G CA 1.027 46.066 45.100 -0.102 0.000 0.779 504 G HN 0.448 nan 8.290 nan 0.000 0.543 505 I N 1.391 121.861 120.570 -0.166 0.000 2.194 505 I HA -0.172 3.998 4.170 -0.000 0.000 0.246 505 I C 2.577 178.636 176.117 -0.097 0.000 1.093 505 I CA 1.148 62.322 61.300 -0.210 0.000 1.355 505 I CB -0.608 37.184 38.000 -0.348 0.000 1.046 505 I HN 0.129 nan 8.210 nan 0.000 0.413 506 I N 0.394 120.937 120.570 -0.044 0.000 2.617 506 I HA -0.168 4.002 4.170 -0.000 0.000 0.256 506 I C 2.491 178.661 176.117 0.089 0.000 1.167 506 I CA 1.119 62.439 61.300 0.034 0.000 1.469 506 I CB -1.296 36.714 38.000 0.016 0.000 1.098 506 I HN 0.375 nan 8.210 nan 0.000 0.436 507 Q N 0.973 120.791 119.800 0.030 0.000 2.123 507 Q HA -0.018 4.322 4.340 -0.000 0.000 0.199 507 Q C 2.347 178.386 176.000 0.065 0.000 0.966 507 Q CA 1.460 57.277 55.803 0.024 0.000 0.845 507 Q CB -0.089 28.623 28.738 -0.043 0.000 0.907 507 Q HN 0.511 nan 8.270 nan 0.000 0.439 508 A N 0.798 123.673 122.820 0.092 0.000 2.186 508 A HA -0.199 4.121 4.320 -0.000 0.000 0.219 508 A C 0.511 178.136 177.584 0.069 0.000 1.159 508 A CA 0.870 52.986 52.037 0.132 0.000 0.680 508 A CB -0.276 18.815 19.000 0.151 0.000 0.787 508 A HN 0.497 nan 8.150 nan 0.000 0.467 509 Q N -1.947 117.865 119.800 0.020 0.000 2.470 509 Q HA -0.112 4.228 4.340 -0.000 0.000 0.290 509 Q C -2.357 173.580 176.000 -0.105 0.000 1.353 509 Q CA 0.364 56.036 55.803 -0.218 0.000 0.787 509 Q CB -1.980 26.524 28.738 -0.390 0.000 1.158 509 Q HN 0.612 nan 8.270 nan 0.000 0.426 510 P HA -0.090 nan 4.420 nan 0.000 0.263 510 P C 0.349 177.807 177.300 0.264 0.000 1.195 510 P CA 0.469 63.658 63.100 0.149 0.000 0.762 510 P CB 0.876 32.670 31.700 0.158 0.000 0.799 511 D N 3.831 124.358 120.400 0.211 0.000 2.091 511 D HA -0.109 4.531 4.640 -0.000 0.000 0.199 511 D C 0.703 177.186 176.300 0.306 0.000 0.980 511 D CA 1.712 55.949 54.000 0.395 0.000 0.831 511 D CB 0.363 41.330 40.800 0.277 0.000 0.987 511 D HN 0.418 nan 8.370 nan 0.000 0.460 512 K N -1.579 118.943 120.400 0.202 0.000 2.092 512 K HA 0.609 4.929 4.320 -0.000 0.000 0.252 512 K C -0.907 175.778 176.600 0.141 0.000 0.988 512 K CA -0.719 55.654 56.287 0.143 0.000 0.837 512 K CB 1.418 33.990 32.500 0.121 0.000 1.493 512 K HN 0.023 nan 8.250 nan 0.000 0.449 513 S N -2.890 112.879 115.700 0.115 0.000 2.663 513 S HA 0.373 4.843 4.470 -0.000 0.000 0.264 513 S C 0.067 174.715 174.600 0.079 0.000 1.112 513 S CA 0.487 58.761 58.200 0.123 0.000 0.823 513 S CB 0.449 63.773 63.200 0.207 0.000 1.111 513 S HN 0.756 nan 8.310 nan 0.000 0.476 514 E N 0.524 120.761 120.200 0.060 0.000 2.170 514 E HA 0.317 4.666 4.350 -0.000 0.000 0.191 514 E C 0.782 177.408 176.600 0.044 0.000 0.981 514 E CA 1.246 57.670 56.400 0.041 0.000 0.830 514 E CB -0.562 29.151 29.700 0.023 0.000 0.775 514 E HN 0.665 nan 8.360 nan 0.000 0.470 515 S N 0.966 116.705 115.700 0.065 0.000 2.584 515 S HA 0.193 4.663 4.470 -0.000 0.000 0.270 515 S C 0.815 175.435 174.600 0.034 0.000 1.346 515 S CA -0.304 57.934 58.200 0.063 0.000 1.018 515 S CB 1.218 64.485 63.200 0.113 0.000 0.899 515 S HN 0.419 nan 8.310 nan 0.000 0.542 516 E N 0.787 120.994 120.200 0.013 0.000 2.079 516 E HA 0.055 4.405 4.350 -0.000 0.000 0.191 516 E C 1.889 178.449 176.600 -0.066 0.000 0.961 516 E CA 0.389 56.779 56.400 -0.017 0.000 0.823 516 E CB -0.382 29.313 29.700 -0.008 0.000 0.789 516 E HN 0.640 nan 8.360 nan 0.000 0.459 517 L N 0.666 121.849 121.223 -0.067 0.000 1.943 517 L HA -0.199 4.141 4.340 -0.000 0.000 0.215 517 L C 2.241 178.989 176.870 -0.203 0.000 1.074 517 L CA 1.563 56.313 54.840 -0.149 0.000 0.759 517 L CB -0.545 41.473 42.059 -0.070 0.000 0.888 517 L HN -0.040 nan 8.230 nan 0.000 0.433 518 V N 0.827 120.687 119.914 -0.091 0.000 2.370 518 V HA -0.346 3.774 4.120 -0.000 0.000 0.252 518 V C 2.424 178.456 176.094 -0.104 0.000 1.068 518 V CA 2.210 64.459 62.300 -0.085 0.000 1.061 518 V CB -1.123 30.701 31.823 0.002 0.000 0.656 518 V HN 0.579 nan 8.190 nan 0.000 0.455 519 N N -0.305 118.348 118.700 -0.078 0.000 2.171 519 N HA -0.126 4.614 4.740 -0.000 0.000 0.184 519 N C 1.976 177.397 175.510 -0.148 0.000 1.021 519 N CA 1.331 54.340 53.050 -0.068 0.000 0.854 519 N CB -0.130 38.340 38.487 -0.028 0.000 0.994 519 N HN 0.595 nan 8.380 nan 0.000 0.426 520 Q N 0.151 119.809 119.800 -0.237 0.000 2.084 520 Q HA -0.053 4.287 4.340 -0.000 0.000 0.202 520 Q C 2.155 177.889 176.000 -0.444 0.000 0.978 520 Q CA 0.937 56.533 55.803 -0.345 0.000 0.844 520 Q CB -0.003 28.419 28.738 -0.526 0.000 0.898 520 Q HN 0.441 nan 8.270 nan 0.000 0.426 521 I N 0.564 120.832 120.570 -0.504 0.000 2.264 521 I HA -0.306 3.864 4.170 -0.000 0.000 0.248 521 I C 2.170 178.132 176.117 -0.259 0.000 1.111 521 I CA 1.141 62.231 61.300 -0.350 0.000 1.382 521 I CB -0.244 37.606 38.000 -0.250 0.000 1.060 521 I HN 0.223 nan 8.210 nan 0.000 0.418 522 I N 0.307 120.732 120.570 -0.242 0.000 2.142 522 I HA -0.267 3.903 4.170 -0.000 0.000 0.240 522 I C 2.587 178.546 176.117 -0.262 0.000 1.078 522 I CA 1.251 62.385 61.300 -0.278 0.000 1.343 522 I CB -0.508 37.450 38.000 -0.071 0.000 1.046 522 I HN 0.203 nan 8.210 nan 0.000 0.405 523 E N 0.689 120.784 120.200 -0.175 0.000 2.086 523 E HA -0.379 3.971 4.350 -0.000 0.000 0.205 523 E C 2.383 178.915 176.600 -0.112 0.000 1.027 523 E CA 2.477 58.795 56.400 -0.138 0.000 0.830 523 E CB -0.685 28.959 29.700 -0.093 0.000 0.751 523 E HN 0.697 nan 8.360 nan 0.000 0.456 524 Q N 0.927 120.687 119.800 -0.067 0.000 2.061 524 Q HA -0.142 4.198 4.340 -0.000 0.000 0.204 524 Q C 2.359 178.305 176.000 -0.091 0.000 0.984 524 Q CA 1.724 57.512 55.803 -0.024 0.000 0.846 524 Q CB -0.929 27.854 28.738 0.076 0.000 0.902 524 Q HN 0.153 nan 8.270 nan 0.000 0.421 525 L N 0.359 121.461 121.223 -0.200 0.000 2.129 525 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 525 L C 2.457 179.226 176.870 -0.168 0.000 1.087 525 L CA 1.608 56.271 54.840 -0.296 0.000 0.757 525 L CB -0.687 40.901 42.059 -0.785 0.000 0.896 525 L HN 0.550 nan 8.230 nan 0.000 0.434 526 I N -0.778 119.705 120.570 -0.145 0.000 3.001 526 I HA -0.235 3.935 4.170 -0.000 0.000 0.268 526 I C 2.304 178.414 176.117 -0.012 0.000 1.267 526 I CA 0.892 62.179 61.300 -0.021 0.000 1.472 526 I CB -0.298 37.633 38.000 -0.114 0.000 1.089 526 I HN 0.383 nan 8.210 nan 0.000 0.468 527 K N 1.704 122.088 120.400 -0.028 0.000 2.240 527 K HA 0.100 4.420 4.320 -0.000 0.000 0.202 527 K C 0.602 177.208 176.600 0.010 0.000 1.053 527 K CA -0.106 56.175 56.287 -0.011 0.000 0.973 527 K CB -0.030 32.458 32.500 -0.020 0.000 0.924 527 K HN 0.005 nan 8.250 nan 0.000 0.477 528 K N 2.187 122.591 120.400 0.006 0.000 2.491 528 K HA -0.027 4.293 4.320 -0.000 0.000 0.279 528 K C 0.394 177.019 176.600 0.042 0.000 1.026 528 K CA -0.010 56.289 56.287 0.021 0.000 1.070 528 K CB 0.767 33.276 32.500 0.015 0.000 0.887 528 K HN 0.201 nan 8.250 nan 0.000 0.481 529 E N 2.109 122.334 120.200 0.042 0.000 2.427 529 E HA -0.028 4.322 4.350 -0.000 0.000 0.196 529 E C -0.267 176.368 176.600 0.058 0.000 1.028 529 E CA 0.902 57.333 56.400 0.051 0.000 0.864 529 E CB 0.282 30.006 29.700 0.041 0.000 0.813 529 E HN 0.368 nan 8.360 nan 0.000 0.514 530 K N 0.059 120.493 120.400 0.057 0.000 2.656 530 K HA 0.322 4.642 4.320 -0.000 0.000 0.253 530 K C -1.584 175.062 176.600 0.077 0.000 1.002 530 K CA -0.265 56.060 56.287 0.064 0.000 0.880 530 K CB 2.118 34.645 32.500 0.045 0.000 1.232 530 K HN -0.248 nan 8.250 nan 0.000 0.456 531 V N 3.784 123.759 119.914 0.101 0.000 2.656 531 V HA 0.453 4.573 4.120 -0.000 0.000 0.307 531 V C -1.220 174.975 176.094 0.169 0.000 1.051 531 V CA -0.948 61.419 62.300 0.112 0.000 0.893 531 V CB 1.582 33.453 31.823 0.080 0.000 0.999 531 V HN 0.655 nan 8.190 nan 0.000 0.426 532 Y N 4.955 125.264 120.300 0.014 0.000 2.462 532 Y HA 0.781 5.331 4.550 -0.000 0.000 0.346 532 Y C -1.455 174.447 175.900 0.004 0.000 0.976 532 Y CA -1.370 56.732 58.100 0.004 0.000 1.044 532 Y CB 1.748 40.199 38.460 -0.015 0.000 1.230 532 Y HN 0.476 nan 8.280 nan 0.000 0.455 533 L N 5.257 126.065 121.223 -0.691 0.000 2.409 533 L HA 0.839 5.179 4.340 -0.000 0.000 0.272 533 L C -1.258 175.166 176.870 -0.744 0.000 0.980 533 L CA -0.550 53.984 54.840 -0.511 0.000 0.826 533 L CB 1.252 43.178 42.059 -0.222 0.000 1.268 533 L HN 0.879 nan 8.230 nan 0.000 0.407 534 A N 3.687 126.218 122.820 -0.482 0.000 2.422 534 A HA 0.611 4.931 4.320 -0.000 0.000 0.302 534 A C -1.889 175.687 177.584 -0.015 0.000 1.041 534 A CA -0.521 51.357 52.037 -0.264 0.000 0.708 534 A CB 1.345 20.226 19.000 -0.198 0.000 1.257 534 A HN 0.695 nan 8.150 nan 0.000 0.414 535 W N 2.697 123.940 121.300 -0.094 0.000 2.448 535 W HA 0.650 5.309 4.660 -0.000 0.000 0.339 535 W C -1.238 175.282 176.519 0.002 0.000 1.124 535 W CA -0.163 57.160 57.345 -0.038 0.000 1.262 535 W CB 1.464 30.902 29.460 -0.037 0.000 1.251 535 W HN 0.585 nan 8.180 nan 0.000 0.597 536 V N 5.401 124.548 119.914 -1.277 0.000 2.932 536 V HA 0.354 4.474 4.120 -0.000 0.000 0.307 536 V C -2.273 172.789 176.094 -1.722 0.000 1.147 536 V CA -2.328 59.280 62.300 -1.154 0.000 0.951 536 V CB 1.784 33.343 31.823 -0.439 0.000 1.031 536 V HN 0.468 nan 8.190 nan 0.000 0.426 537 P HA 0.151 nan 4.420 nan 0.000 0.267 537 P C 0.419 177.508 177.300 -0.352 0.000 1.200 537 P CA 0.465 63.175 63.100 -0.650 0.000 0.772 537 P CB 0.857 32.417 31.700 -0.233 0.000 0.855 538 A N 3.179 125.882 122.820 -0.195 0.000 1.855 538 A HA -0.103 4.217 4.320 -0.000 0.000 0.213 538 A C 0.759 178.368 177.584 0.041 0.000 1.195 538 A CA 1.357 53.302 52.037 -0.153 0.000 0.610 538 A CB -0.966 17.860 19.000 -0.291 0.000 0.837 538 A HN 0.588 nan 8.150 nan 0.000 0.444 539 H N -0.427 118.648 119.070 0.007 0.000 2.540 539 H HA 0.413 4.969 4.556 -0.000 0.000 0.264 539 H C 0.179 175.507 175.328 0.000 0.000 1.427 539 H CA -0.158 55.894 56.048 0.006 0.000 1.103 539 H CB 0.439 30.214 29.762 0.022 0.000 1.572 539 H HN 0.315 nan 8.280 nan 0.000 0.511 540 K N -0.352 120.098 120.400 0.085 0.000 2.550 540 K HA 0.222 4.542 4.320 -0.000 0.000 0.205 540 K C 0.621 177.232 176.600 0.018 0.000 1.429 540 K CA 0.584 56.896 56.287 0.042 0.000 0.997 540 K CB 1.090 33.600 32.500 0.016 0.000 1.328 540 K HN 0.502 nan 8.250 nan 0.000 0.546 541 G N 2.842 111.646 108.800 0.007 0.000 2.858 541 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.266 541 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.266 541 G C -0.604 174.280 174.900 -0.028 0.000 1.023 541 G CA -0.453 44.639 45.100 -0.012 0.000 1.172 541 G HN 0.035 nan 8.290 nan 0.000 0.523 542 I N 1.691 122.237 120.570 -0.039 0.000 2.439 542 I HA 0.668 4.838 4.170 -0.000 0.000 0.283 542 I C 1.067 177.176 176.117 -0.013 0.000 1.023 542 I CA 0.617 61.899 61.300 -0.030 0.000 1.100 542 I CB 0.377 38.350 38.000 -0.045 0.000 1.238 542 I HN 1.820 nan 8.210 nan 0.000 0.445 543 G N 5.179 113.963 108.800 -0.027 0.000 2.512 543 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.240 543 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.240 543 G C 0.744 175.439 174.900 -0.342 0.000 1.246 543 G CA 0.002 45.069 45.100 -0.055 0.000 0.919 543 G HN 0.931 nan 8.290 nan 0.000 0.577 544 G N 0.193 108.359 108.800 -1.055 0.000 2.708 544 G HA2 0.030 3.990 3.960 -0.000 0.000 0.210 544 G HA3 0.030 3.990 3.960 -0.000 0.000 0.210 544 G C 1.339 175.795 174.900 -0.739 0.000 1.141 544 G CA 1.576 45.869 45.100 -1.345 0.000 0.788 544 G HN 0.939 nan 8.290 nan 0.000 0.531 545 N N 1.164 119.627 118.700 -0.394 0.000 2.043 545 N HA -0.148 4.592 4.740 -0.000 0.000 0.193 545 N C 2.071 177.537 175.510 -0.074 0.000 1.037 545 N CA 1.718 54.718 53.050 -0.083 0.000 0.851 545 N CB -0.241 38.248 38.487 0.004 0.000 1.027 545 N HN 0.401 nan 8.380 nan 0.000 0.422 546 E N -0.507 119.642 120.200 -0.086 0.000 2.114 546 E HA -0.335 4.015 4.350 -0.000 0.000 0.199 546 E C 1.853 178.419 176.600 -0.057 0.000 1.008 546 E CA 1.483 57.850 56.400 -0.055 0.000 0.810 546 E CB -0.226 29.439 29.700 -0.057 0.000 0.739 546 E HN 0.495 nan 8.360 nan 0.000 0.456 547 Q N 0.925 120.670 119.800 -0.092 0.000 1.990 547 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 547 Q C 2.242 178.217 176.000 -0.042 0.000 0.980 547 Q CA 1.644 57.403 55.803 -0.074 0.000 0.832 547 Q CB -0.379 28.298 28.738 -0.102 0.000 0.897 547 Q HN 0.137 nan 8.270 nan 0.000 0.427 548 V N 1.394 121.288 119.914 -0.033 0.000 2.453 548 V HA -0.262 3.858 4.120 -0.000 0.000 0.252 548 V C 1.999 178.111 176.094 0.030 0.000 1.068 548 V CA 2.066 64.383 62.300 0.028 0.000 1.070 548 V CB -0.906 30.976 31.823 0.098 0.000 0.664 548 V HN 0.421 nan 8.190 nan 0.000 0.461 549 D N 0.228 120.640 120.400 0.020 0.000 2.084 549 D HA -0.144 4.496 4.640 -0.000 0.000 0.194 549 D C 2.250 178.552 176.300 0.004 0.000 0.990 549 D CA 1.068 55.083 54.000 0.026 0.000 0.826 549 D CB -0.118 40.698 40.800 0.027 0.000 0.971 549 D HN 0.163 nan 8.370 nan 0.000 0.453 550 K N 0.055 120.449 120.400 -0.011 0.000 2.152 550 K HA -0.130 4.190 4.320 -0.000 0.000 0.206 550 K C 2.011 178.601 176.600 -0.017 0.000 1.048 550 K CA 0.333 56.609 56.287 -0.019 0.000 0.933 550 K CB -0.582 31.902 32.500 -0.026 0.000 0.721 550 K HN 0.248 nan 8.250 nan 0.000 0.447 551 L N 0.668 121.883 121.223 -0.014 0.000 1.971 551 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 551 L C 1.943 178.804 176.870 -0.015 0.000 1.083 551 L CA 1.500 56.329 54.840 -0.019 0.000 0.753 551 L CB -0.836 41.208 42.059 -0.025 0.000 0.893 551 L HN -0.131 nan 8.230 nan 0.000 0.436 552 V N -0.485 119.428 119.914 -0.002 0.000 2.982 552 V HA -0.139 3.981 4.120 -0.000 0.000 0.265 552 V C 1.544 177.641 176.094 0.005 0.000 1.122 552 V CA 1.224 63.527 62.300 0.005 0.000 1.143 552 V CB -1.585 30.256 31.823 0.030 0.000 0.726 552 V HN 0.513 nan 8.190 nan 0.000 0.507 553 S N 0.000 115.700 115.700 0.000 0.000 2.498 553 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 553 S CA 0.000 58.197 58.200 -0.004 0.000 1.107 553 S CB 0.000 63.196 63.200 -0.007 0.000 0.593 553 S HN 0.000 nan 8.310 nan 0.000 0.517