REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1hmv_1_G DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIXXXXXXX XXXXVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPXXXXXXX GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLC KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LVSA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 P HA 0.000 nan 4.420 nan 0.000 0.216 1 P C 0.000 177.355 177.300 0.092 0.000 1.155 1 P CA 0.000 63.144 63.100 0.073 0.000 0.800 1 P CB 0.000 31.743 31.700 0.072 0.000 0.726 2 I N 1.031 121.651 120.570 0.083 0.000 2.436 2 I HA 0.099 4.269 4.170 -0.000 0.000 0.289 2 I C 1.225 177.403 176.117 0.102 0.000 1.083 2 I CA -0.070 61.287 61.300 0.094 0.000 1.372 2 I CB 1.069 39.113 38.000 0.074 0.000 1.408 2 I HN 0.375 nan 8.210 nan 0.000 0.516 3 S N 8.950 124.735 115.700 0.143 0.000 2.558 3 S HA 0.083 4.553 4.470 -0.000 0.000 0.291 3 S C -1.027 173.678 174.600 0.175 0.000 1.306 3 S CA -0.864 57.452 58.200 0.194 0.000 1.056 3 S CB 0.587 63.939 63.200 0.254 0.000 0.836 3 S HN 0.560 nan 8.310 nan 0.000 0.504 4 P HA 0.167 nan 4.420 nan 0.000 0.257 4 P C 0.607 178.059 177.300 0.253 0.000 1.281 4 P CA -0.075 63.109 63.100 0.141 0.000 0.826 4 P CB -0.059 31.636 31.700 -0.009 0.000 1.237 5 I N 0.945 121.721 120.570 0.343 0.000 2.836 5 I HA 0.000 4.170 4.170 -0.000 0.000 0.285 5 I C 0.033 176.249 176.117 0.165 0.000 1.174 5 I CA -0.280 61.193 61.300 0.288 0.000 1.405 5 I CB 0.764 38.865 38.000 0.168 0.000 1.385 5 I HN -0.177 nan 8.210 nan 0.000 0.594 6 E N 3.871 124.149 120.200 0.131 0.000 2.392 6 E HA 0.141 4.491 4.350 -0.000 0.000 0.264 6 E C -0.300 176.347 176.600 0.077 0.000 1.024 6 E CA -0.150 56.305 56.400 0.093 0.000 0.903 6 E CB 0.374 30.121 29.700 0.079 0.000 0.963 6 E HN 0.564 nan 8.360 nan 0.000 0.432 7 T N -1.357 113.240 114.554 0.072 0.000 2.869 7 T HA 0.323 4.673 4.350 -0.000 0.000 0.295 7 T C 0.183 174.923 174.700 0.067 0.000 0.987 7 T CA -0.999 61.143 62.100 0.070 0.000 1.109 7 T CB 0.712 69.622 68.868 0.070 0.000 0.932 7 T HN 0.150 nan 8.240 nan 0.000 0.518 8 V N 6.603 126.561 119.914 0.072 0.000 2.439 8 V HA 0.245 4.365 4.120 -0.000 0.000 0.271 8 V C -1.523 174.631 176.094 0.101 0.000 1.040 8 V CA -1.640 60.711 62.300 0.084 0.000 1.002 8 V CB 0.524 32.405 31.823 0.097 0.000 1.000 8 V HN 0.844 nan 8.190 nan 0.000 0.477 9 P HA 0.103 nan 4.420 nan 0.000 0.268 9 P C -0.472 176.856 177.300 0.046 0.000 1.282 9 P CA 0.192 63.332 63.100 0.066 0.000 0.880 9 P CB 0.704 32.434 31.700 0.049 0.000 0.971 10 V N 5.382 125.313 119.914 0.028 0.000 2.567 10 V HA 0.301 4.421 4.120 -0.000 0.000 0.289 10 V C 0.800 176.862 176.094 -0.053 0.000 1.049 10 V CA -0.183 62.061 62.300 -0.094 0.000 0.969 10 V CB 1.484 33.160 31.823 -0.245 0.000 0.995 10 V HN 0.474 nan 8.190 nan 0.000 0.471 11 K N 3.275 123.617 120.400 -0.096 0.000 2.378 11 K HA 0.709 5.029 4.320 -0.000 0.000 0.244 11 K C -1.244 175.373 176.600 0.029 0.000 1.039 11 K CA -0.903 55.396 56.287 0.019 0.000 0.863 11 K CB 2.151 34.629 32.500 -0.036 0.000 1.326 11 K HN 0.375 nan 8.250 nan 0.000 0.460 12 L N 1.343 122.564 121.223 -0.004 0.000 2.387 12 L HA 0.385 4.725 4.340 -0.000 0.000 0.266 12 L C 0.057 176.897 176.870 -0.052 0.000 1.059 12 L CA -0.934 53.873 54.840 -0.054 0.000 0.801 12 L CB 0.908 42.831 42.059 -0.226 0.000 1.223 12 L HN 0.391 nan 8.230 nan 0.000 0.456 13 K N 2.610 122.985 120.400 -0.040 0.000 2.451 13 K HA 0.111 4.431 4.320 -0.000 0.000 0.280 13 K C -2.199 174.385 176.600 -0.025 0.000 1.020 13 K CA -1.308 54.959 56.287 -0.033 0.000 1.008 13 K CB -0.002 32.488 32.500 -0.016 0.000 0.917 13 K HN 0.324 nan 8.250 nan 0.000 0.478 14 P HA -0.119 nan 4.420 nan 0.000 0.264 14 P C 0.487 177.785 177.300 -0.003 0.000 1.183 14 P CA 0.649 63.742 63.100 -0.012 0.000 0.763 14 P CB 0.699 32.391 31.700 -0.012 0.000 0.807 15 G N 1.841 110.643 108.800 0.004 0.000 2.157 15 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.239 15 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.239 15 G C -0.003 174.907 174.900 0.016 0.000 0.982 15 G CA 0.055 45.161 45.100 0.011 0.000 0.650 15 G HN 0.528 nan 8.290 nan 0.000 0.527 16 M N -0.394 119.212 119.600 0.010 0.000 2.658 16 M HA 0.651 5.131 4.480 -0.000 0.000 0.295 16 M C -1.072 175.236 176.300 0.015 0.000 1.248 16 M CA -0.850 54.460 55.300 0.016 0.000 0.843 16 M CB 2.200 34.804 32.600 0.007 0.000 1.749 16 M HN 0.085 nan 8.290 nan 0.000 0.464 17 D N -0.166 120.264 120.400 0.049 0.000 2.490 17 D HA 0.589 5.229 4.640 -0.000 0.000 0.232 17 D C -0.197 176.168 176.300 0.108 0.000 1.053 17 D CA -0.011 54.056 54.000 0.112 0.000 0.914 17 D CB 1.907 42.838 40.800 0.218 0.000 1.431 17 D HN 0.710 nan 8.370 nan 0.000 0.483 18 G N 1.197 110.053 108.800 0.093 0.000 2.720 18 G HA2 0.223 4.183 3.960 -0.000 0.000 0.237 18 G HA3 0.223 4.183 3.960 -0.000 0.000 0.237 18 G C -2.079 173.003 174.900 0.304 0.000 1.239 18 G CA -0.680 44.392 45.100 -0.047 0.000 0.847 18 G HN 0.477 nan 8.290 nan 0.000 0.593 19 P HA 0.256 nan 4.420 nan 0.000 0.272 19 P C -1.032 176.441 177.300 0.289 0.000 1.230 19 P CA -0.045 63.189 63.100 0.223 0.000 0.788 19 P CB 0.993 32.795 31.700 0.170 0.000 0.949 20 K N 0.834 121.326 120.400 0.153 0.000 2.690 20 K HA 0.477 4.797 4.320 -0.000 0.000 0.264 20 K C -1.398 175.216 176.600 0.024 0.000 1.040 20 K CA -0.578 55.754 56.287 0.074 0.000 0.946 20 K CB 1.914 34.429 32.500 0.025 0.000 1.268 20 K HN 0.179 nan 8.250 nan 0.000 0.473 21 V N 2.174 122.078 119.914 -0.017 0.000 2.971 21 V HA 0.379 4.499 4.120 -0.000 0.000 0.309 21 V C -0.641 175.342 176.094 -0.186 0.000 1.130 21 V CA -1.132 61.121 62.300 -0.078 0.000 0.964 21 V CB 2.435 34.221 31.823 -0.062 0.000 1.029 21 V HN 0.564 nan 8.190 nan 0.000 0.427 22 K N 2.106 122.320 120.400 -0.310 0.000 2.144 22 K HA 0.492 4.812 4.320 -0.000 0.000 0.270 22 K C -0.542 175.625 176.600 -0.721 0.000 1.005 22 K CA -0.524 55.494 56.287 -0.447 0.000 0.932 22 K CB 1.066 33.295 32.500 -0.451 0.000 1.021 22 K HN 0.605 nan 8.250 nan 0.000 0.462 23 Q N 2.018 121.507 119.800 -0.519 0.000 2.331 23 Q HA 0.122 4.462 4.340 -0.000 0.000 0.257 23 Q C -0.987 174.793 176.000 -0.365 0.000 0.957 23 Q CA -0.405 55.109 55.803 -0.482 0.000 0.923 23 Q CB 0.763 29.359 28.738 -0.236 0.000 1.212 23 Q HN 0.426 nan 8.270 nan 0.000 0.443 24 W N 5.565 126.930 121.300 0.107 0.000 2.381 24 W HA 0.104 4.764 4.660 -0.000 0.000 0.321 24 W C -1.534 175.046 176.519 0.102 0.000 1.407 24 W CA -1.649 55.765 57.345 0.115 0.000 1.274 24 W CB 0.019 29.578 29.460 0.165 0.000 1.310 24 W HN 0.359 nan 8.180 nan 0.000 0.551 25 P HA -0.033 nan 4.420 nan 0.000 0.260 25 P C -0.320 177.086 177.300 0.177 0.000 1.185 25 P CA 0.507 63.707 63.100 0.167 0.000 0.763 25 P CB 0.860 32.638 31.700 0.130 0.000 0.776 26 L N 2.800 124.113 121.223 0.150 0.000 2.454 26 L HA 0.298 4.638 4.340 -0.000 0.000 0.256 26 L C 1.596 178.526 176.870 0.100 0.000 1.136 26 L CA -0.712 54.213 54.840 0.142 0.000 0.804 26 L CB 0.264 42.411 42.059 0.147 0.000 1.181 26 L HN 0.406 nan 8.230 nan 0.000 0.469 27 T N -3.047 111.559 114.554 0.086 0.000 2.926 27 T HA 0.040 4.390 4.350 -0.000 0.000 0.307 27 T C 0.915 175.649 174.700 0.057 0.000 1.059 27 T CA -0.504 61.634 62.100 0.064 0.000 1.122 27 T CB 0.732 69.632 68.868 0.053 0.000 0.972 27 T HN 0.643 nan 8.240 nan 0.000 0.545 28 E N 0.915 121.143 120.200 0.047 0.000 2.108 28 E HA -0.290 4.060 4.350 -0.000 0.000 0.203 28 E C 1.962 178.588 176.600 0.042 0.000 1.022 28 E CA 1.889 58.313 56.400 0.041 0.000 0.823 28 E CB -0.117 29.602 29.700 0.033 0.000 0.744 28 E HN 0.935 nan 8.360 nan 0.000 0.456 29 E N 1.320 121.544 120.200 0.040 0.000 2.005 29 E HA -0.250 4.100 4.350 -0.000 0.000 0.198 29 E C 1.976 178.604 176.600 0.047 0.000 1.010 29 E CA 1.510 57.934 56.400 0.039 0.000 0.825 29 E CB 0.070 29.791 29.700 0.036 0.000 0.769 29 E HN 0.087 nan 8.360 nan 0.000 0.456 30 K N 0.163 120.596 120.400 0.055 0.000 2.052 30 K HA -0.231 4.089 4.320 -0.000 0.000 0.215 30 K C 2.296 178.937 176.600 0.069 0.000 1.053 30 K CA 2.103 58.430 56.287 0.067 0.000 0.934 30 K CB -0.447 32.104 32.500 0.085 0.000 0.717 30 K HN 0.295 nan 8.250 nan 0.000 0.450 31 I N 1.327 121.938 120.570 0.069 0.000 2.127 31 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 31 I C 2.178 178.332 176.117 0.062 0.000 1.075 31 I CA 1.535 62.876 61.300 0.068 0.000 1.334 31 I CB -0.310 37.727 38.000 0.061 0.000 1.040 31 I HN 0.168 nan 8.210 nan 0.000 0.405 32 K N 0.807 121.238 120.400 0.052 0.000 2.218 32 K HA -0.175 4.145 4.320 -0.000 0.000 0.205 32 K C 2.116 178.745 176.600 0.049 0.000 1.046 32 K CA 1.456 57.771 56.287 0.047 0.000 0.933 32 K CB -0.256 32.267 32.500 0.038 0.000 0.728 32 K HN 0.391 nan 8.250 nan 0.000 0.454 33 A N 1.277 124.127 122.820 0.050 0.000 1.861 33 A HA -0.020 4.300 4.320 -0.000 0.000 0.212 33 A C 2.098 179.713 177.584 0.052 0.000 1.199 33 A CA 0.699 52.764 52.037 0.047 0.000 0.613 33 A CB -0.484 18.543 19.000 0.045 0.000 0.846 33 A HN 0.104 nan 8.150 nan 0.000 0.446 34 L N -0.019 121.241 121.223 0.062 0.000 2.042 34 L HA -0.201 4.139 4.340 -0.000 0.000 0.210 34 L C 2.537 179.458 176.870 0.086 0.000 1.076 34 L CA 1.335 56.217 54.840 0.069 0.000 0.749 34 L CB -0.890 41.220 42.059 0.084 0.000 0.893 34 L HN 0.256 nan 8.230 nan 0.000 0.432 35 V N -0.004 119.969 119.914 0.098 0.000 2.220 35 V HA -0.341 3.779 4.120 -0.000 0.000 0.246 35 V C 2.483 178.628 176.094 0.084 0.000 1.049 35 V CA 2.167 64.538 62.300 0.119 0.000 1.003 35 V CB -0.735 31.145 31.823 0.096 0.000 0.634 35 V HN 0.539 nan 8.190 nan 0.000 0.444 36 E N 0.027 120.264 120.200 0.061 0.000 2.172 36 E HA -0.301 4.049 4.350 -0.000 0.000 0.213 36 E C 2.063 178.685 176.600 0.036 0.000 1.051 36 E CA 2.592 59.020 56.400 0.045 0.000 0.860 36 E CB -0.226 29.497 29.700 0.038 0.000 0.755 36 E HN 0.655 nan 8.360 nan 0.000 0.462 37 I N 0.164 120.753 120.570 0.032 0.000 2.162 37 I HA -0.290 3.880 4.170 -0.000 0.000 0.238 37 I C 2.762 178.871 176.117 -0.014 0.000 1.076 37 I CA 0.873 62.183 61.300 0.017 0.000 1.353 37 I CB -0.535 37.476 38.000 0.019 0.000 1.063 37 I HN 0.318 nan 8.210 nan 0.000 0.408 38 C N 0.840 120.114 119.300 -0.043 0.000 2.403 38 C HA -0.186 4.274 4.460 -0.000 0.000 0.279 38 C C 3.031 177.874 174.990 -0.245 0.000 1.269 38 C CA 1.643 60.531 59.018 -0.217 0.000 1.774 38 C CB -1.355 26.230 27.740 -0.258 0.000 1.993 38 C HN 0.554 nan 8.230 nan 0.000 0.496 39 T N -0.081 114.447 114.554 -0.043 0.000 2.788 39 T HA -0.213 4.137 4.350 -0.000 0.000 0.268 39 T C 1.724 176.425 174.700 0.001 0.000 1.044 39 T CA 1.747 63.862 62.100 0.026 0.000 1.139 39 T CB -0.249 68.660 68.868 0.069 0.000 0.867 39 T HN 0.731 nan 8.240 nan 0.000 0.454 40 E N 0.342 120.542 120.200 -0.001 0.000 2.170 40 E HA 0.042 4.392 4.350 -0.000 0.000 0.191 40 E C 2.151 178.761 176.600 0.015 0.000 0.981 40 E CA 0.313 56.722 56.400 0.016 0.000 0.830 40 E CB -0.080 29.638 29.700 0.029 0.000 0.775 40 E HN 0.448 nan 8.360 nan 0.000 0.470 41 M N 0.581 120.178 119.600 -0.005 0.000 2.213 41 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 41 M C 2.266 178.540 176.300 -0.044 0.000 1.062 41 M CA 1.380 56.689 55.300 0.015 0.000 1.105 41 M CB -0.229 32.370 32.600 -0.002 0.000 1.385 41 M HN 0.149 nan 8.290 nan 0.000 0.417 42 E N 0.946 121.089 120.200 -0.094 0.000 2.150 42 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 42 E C 2.006 178.610 176.600 0.007 0.000 0.985 42 E CA 1.153 57.524 56.400 -0.048 0.000 0.814 42 E CB 0.102 29.804 29.700 0.002 0.000 0.752 42 E HN 0.414 nan 8.360 nan 0.000 0.466 43 K N 0.580 120.989 120.400 0.014 0.000 2.031 43 K HA -0.142 4.178 4.320 -0.000 0.000 0.205 43 K C 1.789 178.407 176.600 0.031 0.000 1.049 43 K CA 1.478 57.781 56.287 0.026 0.000 0.939 43 K CB 0.054 32.571 32.500 0.029 0.000 0.717 43 K HN 0.103 nan 8.250 nan 0.000 0.438 44 E N -0.939 119.285 120.200 0.040 0.000 2.338 44 E HA -0.067 4.283 4.350 -0.000 0.000 0.197 44 E C 0.938 177.566 176.600 0.047 0.000 1.007 44 E CA 0.651 57.085 56.400 0.057 0.000 0.849 44 E CB 0.096 29.854 29.700 0.097 0.000 0.774 44 E HN 0.676 nan 8.360 nan 0.000 0.506 45 G N 1.121 109.937 108.800 0.026 0.000 2.194 45 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.236 45 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.236 45 G C 1.031 175.926 174.900 -0.008 0.000 0.987 45 G CA 0.422 45.531 45.100 0.015 0.000 0.635 45 G HN 0.037 nan 8.290 nan 0.000 0.520 46 K N 0.325 120.706 120.400 -0.031 0.000 2.103 46 K HA 0.074 4.394 4.320 -0.000 0.000 0.207 46 K C 1.840 178.370 176.600 -0.116 0.000 1.048 46 K CA 1.884 58.089 56.287 -0.137 0.000 0.930 46 K CB -0.362 31.979 32.500 -0.264 0.000 0.716 46 K HN 0.933 nan 8.250 nan 0.000 0.444 47 I N -3.586 116.918 120.570 -0.110 0.000 3.580 47 I HA 0.481 4.651 4.170 -0.000 0.000 0.296 47 I C -0.931 175.172 176.117 -0.023 0.000 1.146 47 I CA -1.129 60.106 61.300 -0.108 0.000 1.051 47 I CB 2.291 40.141 38.000 -0.250 0.000 1.364 47 I HN -0.037 nan 8.210 nan 0.000 0.482 48 S N -0.506 115.229 115.700 0.060 0.000 2.578 48 S HA 0.383 4.853 4.470 -0.000 0.000 0.285 48 S C -1.287 173.430 174.600 0.195 0.000 1.126 48 S CA -1.198 57.090 58.200 0.146 0.000 0.878 48 S CB 1.071 64.300 63.200 0.048 0.000 1.091 48 S HN 0.695 nan 8.310 nan 0.000 0.450 49 K N 1.454 121.922 120.400 0.113 0.000 2.414 49 K HA 0.570 4.890 4.320 -0.000 0.000 0.272 49 K C 0.018 176.514 176.600 -0.172 0.000 0.993 49 K CA 0.053 56.208 56.287 -0.220 0.000 0.964 49 K CB 0.187 32.527 32.500 -0.267 0.000 0.925 49 K HN 0.717 nan 8.250 nan 0.000 0.487 50 I N -2.756 117.670 120.570 -0.241 0.000 3.006 50 I HA 0.450 4.620 4.170 -0.000 0.000 0.306 50 I C -0.029 175.979 176.117 -0.182 0.000 1.250 50 I CA -1.322 59.874 61.300 -0.174 0.000 0.996 50 I CB 1.874 39.780 38.000 -0.158 0.000 1.261 50 I HN 0.561 nan 8.210 nan 0.000 0.442 51 G N 2.410 111.128 108.800 -0.136 0.000 2.544 51 G HA2 0.392 4.352 3.960 -0.000 0.000 0.242 51 G HA3 0.392 4.352 3.960 -0.000 0.000 0.242 51 G C -1.548 173.276 174.900 -0.128 0.000 1.247 51 G CA -1.154 43.871 45.100 -0.125 0.000 0.840 51 G HN 0.684 nan 8.290 nan 0.000 0.578 52 P HA -0.010 nan 4.420 nan 0.000 0.251 52 P C 0.347 177.584 177.300 -0.105 0.000 1.251 52 P CA 0.562 63.592 63.100 -0.116 0.000 0.763 52 P CB 0.518 32.155 31.700 -0.105 0.000 1.067 53 E N 0.424 120.564 120.200 -0.101 0.000 2.021 53 E HA -0.065 4.285 4.350 -0.000 0.000 0.189 53 E C 1.196 177.727 176.600 -0.115 0.000 0.980 53 E CA 0.299 56.640 56.400 -0.098 0.000 0.803 53 E CB -1.207 28.442 29.700 -0.086 0.000 0.766 53 E HN 0.167 nan 8.360 nan 0.000 0.449 54 N N 2.444 121.080 118.700 -0.106 0.000 2.090 54 N HA -0.112 4.628 4.740 -0.000 0.000 0.287 54 N C -1.868 173.556 175.510 -0.142 0.000 1.383 54 N CA -0.312 52.681 53.050 -0.095 0.000 0.899 54 N CB 0.491 38.942 38.487 -0.059 0.000 1.251 54 N HN -0.081 nan 8.380 nan 0.000 0.492 55 P HA -0.128 nan 4.420 nan 0.000 0.217 55 P C -0.379 176.706 177.300 -0.358 0.000 1.148 55 P CA 1.306 64.166 63.100 -0.400 0.000 0.828 55 P CB 0.022 31.310 31.700 -0.687 0.000 0.783 56 Y N -0.548 119.712 120.300 -0.068 0.000 2.304 56 Y HA 0.399 4.949 4.550 -0.000 0.000 0.327 56 Y C 0.942 176.818 175.900 -0.040 0.000 1.209 56 Y CA -0.201 57.876 58.100 -0.038 0.000 1.299 56 Y CB 0.165 38.607 38.460 -0.030 0.000 1.249 56 Y HN -0.156 nan 8.280 nan 0.000 0.519 57 N N -0.552 118.239 118.700 0.151 0.000 2.504 57 N HA 0.531 5.271 4.740 -0.000 0.000 0.268 57 N C -1.994 173.552 175.510 0.060 0.000 1.184 57 N CA -0.551 52.542 53.050 0.072 0.000 0.875 57 N CB 1.652 40.132 38.487 -0.013 0.000 1.630 57 N HN 0.569 nan 8.380 nan 0.000 0.486 58 T N 1.966 116.550 114.554 0.049 0.000 2.886 58 T HA 0.535 4.885 4.350 -0.000 0.000 0.292 58 T C -2.925 171.693 174.700 -0.136 0.000 1.012 58 T CA -1.101 60.989 62.100 -0.017 0.000 0.982 58 T CB 2.084 70.981 68.868 0.048 0.000 1.018 58 T HN 0.396 nan 8.240 nan 0.000 0.451 59 P HA 0.219 nan 4.420 nan 0.000 0.267 59 P C -0.296 176.587 177.300 -0.696 0.000 1.205 59 P CA -0.268 62.539 63.100 -0.489 0.000 0.765 59 P CB 0.759 32.117 31.700 -0.569 0.000 0.828 60 V N 1.597 121.154 119.914 -0.595 0.000 2.850 60 V HA 0.739 4.859 4.120 -0.000 0.000 0.315 60 V C -0.695 175.045 176.094 -0.590 0.000 1.064 60 V CA -0.654 61.336 62.300 -0.516 0.000 0.979 60 V CB 1.235 32.925 31.823 -0.221 0.000 1.039 60 V HN 0.288 nan 8.190 nan 0.000 0.452 61 F N 0.375 120.320 119.950 -0.008 0.000 2.675 61 F HA 0.917 5.444 4.527 -0.000 0.000 0.324 61 F C 0.241 176.053 175.800 0.019 0.000 1.106 61 F CA -0.605 57.413 58.000 0.030 0.000 0.970 61 F CB 1.924 40.947 39.000 0.039 0.000 1.385 61 F HN 0.885 nan 8.300 nan 0.000 0.489 62 A N 1.873 124.843 122.820 0.250 0.000 2.335 62 A HA 0.837 5.157 4.320 -0.000 0.000 0.304 62 A C -0.762 176.887 177.584 0.109 0.000 1.118 62 A CA -0.498 51.621 52.037 0.137 0.000 0.757 62 A CB 0.523 19.585 19.000 0.105 0.000 1.188 62 A HN 0.738 nan 8.150 nan 0.000 0.460 76 D N 3.958 124.180 120.400 -0.296 0.000 2.541 76 D HA 0.223 4.863 4.640 -0.000 0.000 0.231 76 D C 0.733 177.021 176.300 -0.020 0.000 1.163 76 D CA -0.107 53.871 54.000 -0.036 0.000 1.077 76 D CB 0.034 40.930 40.800 0.159 0.000 1.110 76 D HN 0.366 nan 8.370 nan 0.000 0.499 77 F N 1.470 121.488 119.950 0.113 0.000 2.773 77 F HA 0.033 4.560 4.527 -0.000 0.000 0.299 77 F C 2.018 177.905 175.800 0.146 0.000 1.204 77 F CA 0.220 58.305 58.000 0.141 0.000 1.454 77 F CB -0.233 38.882 39.000 0.191 0.000 1.117 77 F HN 0.254 nan 8.300 nan 0.000 0.590 78 R N 0.155 120.815 120.500 0.267 0.000 2.133 78 R HA -0.221 4.119 4.340 -0.000 0.000 0.245 78 R C 2.083 178.500 176.300 0.196 0.000 1.137 78 R CA 1.830 58.052 56.100 0.205 0.000 0.947 78 R CB -0.441 29.955 30.300 0.160 0.000 0.865 78 R HN 0.232 nan 8.270 nan 0.000 0.437 79 E N 0.783 121.097 120.200 0.191 0.000 2.017 79 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 79 E C 2.053 178.764 176.600 0.185 0.000 0.997 79 E CA 0.876 57.375 56.400 0.165 0.000 0.804 79 E CB -0.581 29.204 29.700 0.143 0.000 0.757 79 E HN 0.139 nan 8.360 nan 0.000 0.448 80 L N 2.409 123.778 121.223 0.243 0.000 2.064 80 L HA -0.251 4.089 4.340 -0.000 0.000 0.216 80 L C 1.545 178.581 176.870 0.277 0.000 1.077 80 L CA 1.897 56.880 54.840 0.238 0.000 0.766 80 L CB -0.769 41.476 42.059 0.310 0.000 0.890 80 L HN 0.053 nan 8.230 nan 0.000 0.435 81 N N -0.070 118.812 118.700 0.304 0.000 2.188 81 N HA -0.214 4.526 4.740 -0.000 0.000 0.184 81 N C 1.811 177.420 175.510 0.164 0.000 1.018 81 N CA 1.412 54.614 53.050 0.254 0.000 0.858 81 N CB -0.367 38.236 38.487 0.193 0.000 0.989 81 N HN 0.512 nan 8.380 nan 0.000 0.426 82 K N 1.230 121.714 120.400 0.140 0.000 2.360 82 K HA -0.022 4.298 4.320 -0.000 0.000 0.201 82 K C 0.874 177.521 176.600 0.078 0.000 1.046 82 K CA 0.860 57.205 56.287 0.096 0.000 0.945 82 K CB 0.187 32.742 32.500 0.093 0.000 0.750 82 K HN 0.131 nan 8.250 nan 0.000 0.464 83 R N -0.410 120.144 120.500 0.089 0.000 2.508 83 R HA 0.126 4.466 4.340 -0.000 0.000 0.300 83 R C -0.316 176.017 176.300 0.054 0.000 0.970 83 R CA -0.136 55.992 56.100 0.047 0.000 1.102 83 R CB 1.177 31.486 30.300 0.016 0.000 1.246 83 R HN -0.077 nan 8.270 nan 0.000 0.539 84 T N 1.916 116.548 114.554 0.130 0.000 2.856 84 T HA 0.013 4.363 4.350 -0.000 0.000 0.292 84 T C -0.054 174.646 174.700 -0.000 0.000 0.980 84 T CA -0.371 61.833 62.100 0.174 0.000 1.091 84 T CB 1.465 70.581 68.868 0.413 0.000 0.936 84 T HN 0.173 nan 8.240 nan 0.000 0.503 85 Q N 3.795 123.524 119.800 -0.118 0.000 2.436 85 Q HA -0.090 4.250 4.340 -0.000 0.000 0.292 85 Q C -0.372 175.377 176.000 -0.418 0.000 1.229 85 Q CA -0.435 55.199 55.803 -0.282 0.000 1.008 85 Q CB -0.200 28.285 28.738 -0.422 0.000 1.220 85 Q HN 0.620 nan 8.270 nan 0.000 0.432 86 D N 3.676 123.960 120.400 -0.194 0.000 2.472 86 D HA -0.043 4.597 4.640 -0.000 0.000 0.248 86 D C -0.693 175.521 176.300 -0.143 0.000 1.174 86 D CA 0.226 54.157 54.000 -0.115 0.000 0.883 86 D CB 0.086 40.882 40.800 -0.007 0.000 1.149 86 D HN 0.270 nan 8.370 nan 0.000 0.488 87 F N 0.652 120.568 119.950 -0.057 0.000 2.373 87 F HA 0.286 4.813 4.527 -0.000 0.000 0.302 87 F C 0.862 176.709 175.800 0.078 0.000 1.247 87 F CA -0.758 57.231 58.000 -0.018 0.000 1.169 87 F CB 0.532 39.467 39.000 -0.109 0.000 1.309 87 F HN 0.403 nan 8.300 nan 0.000 0.537 88 W N 2.608 123.995 121.300 0.144 0.000 2.299 88 W HA 0.258 4.918 4.660 -0.000 0.000 0.319 88 W C -0.914 175.607 176.519 0.003 0.000 1.008 88 W CA -0.821 56.548 57.345 0.039 0.000 1.384 88 W CB 0.732 30.198 29.460 0.010 0.000 1.220 88 W HN 0.453 nan 8.180 nan 0.000 0.402 89 E N 4.074 124.068 120.200 -0.345 0.000 2.292 89 E HA 0.022 4.372 4.350 -0.000 0.000 0.265 89 E C 0.290 176.579 176.600 -0.520 0.000 1.093 89 E CA 0.086 56.273 56.400 -0.355 0.000 0.922 89 E CB 1.508 30.998 29.700 -0.349 0.000 1.001 89 E HN 0.240 nan 8.360 nan 0.000 0.444 90 V N 4.866 124.637 119.914 -0.238 0.000 2.443 90 V HA 0.069 4.189 4.120 -0.000 0.000 0.326 90 V C -0.035 175.999 176.094 -0.101 0.000 1.580 90 V CA -0.039 62.202 62.300 -0.098 0.000 1.629 90 V CB -0.878 30.976 31.823 0.053 0.000 1.471 90 V HN 0.426 nan 8.190 nan 0.000 0.532 91 Q N 0.452 120.154 119.800 -0.162 0.000 2.378 91 Q HA 0.377 4.717 4.340 -0.000 0.000 0.262 91 Q C 0.303 176.219 176.000 -0.140 0.000 0.978 91 Q CA -0.508 55.221 55.803 -0.124 0.000 0.918 91 Q CB 2.393 31.066 28.738 -0.108 0.000 1.415 91 Q HN 0.308 nan 8.270 nan 0.000 0.409 92 L N 0.269 121.423 121.223 -0.115 0.000 2.362 92 L HA 0.109 4.449 4.340 -0.000 0.000 0.219 92 L C 1.028 177.827 176.870 -0.118 0.000 1.134 92 L CA 1.337 56.108 54.840 -0.115 0.000 0.807 92 L CB -0.022 41.975 42.059 -0.103 0.000 0.927 92 L HN 0.803 nan 8.230 nan 0.000 0.447 93 G N -0.999 107.732 108.800 -0.115 0.000 2.317 93 G HA2 0.236 4.196 3.960 -0.000 0.000 0.293 93 G HA3 0.236 4.196 3.960 -0.000 0.000 0.293 93 G C -1.239 173.603 174.900 -0.097 0.000 1.287 93 G CA -0.917 44.121 45.100 -0.104 0.000 0.850 93 G HN -0.137 nan 8.290 nan 0.000 0.515 94 I N 2.508 123.017 120.570 -0.101 0.000 2.638 94 I HA 0.296 4.466 4.170 -0.000 0.000 0.286 94 I C -1.317 174.661 176.117 -0.232 0.000 1.088 94 I CA -1.407 59.796 61.300 -0.162 0.000 1.397 94 I CB 1.382 39.257 38.000 -0.209 0.000 1.414 94 I HN 0.276 nan 8.210 nan 0.000 0.566 95 P HA 0.089 nan 4.420 nan 0.000 0.280 95 P C -0.971 176.145 177.300 -0.306 0.000 1.244 95 P CA -0.117 62.806 63.100 -0.294 0.000 0.784 95 P CB 0.811 32.352 31.700 -0.264 0.000 0.913 96 H N 4.923 123.730 119.070 -0.439 0.000 2.548 96 H HA 0.115 4.671 4.556 -0.000 0.000 0.331 96 H C -1.340 173.524 175.328 -0.773 0.000 1.093 96 H CA -1.668 54.024 56.048 -0.593 0.000 1.367 96 H CB 1.803 31.243 29.762 -0.537 0.000 1.455 96 H HN 0.282 nan 8.280 nan 0.000 0.519 97 P HA -0.141 nan 4.420 nan 0.000 0.217 97 P C 1.069 177.620 177.300 -1.249 0.000 1.150 97 P CA 1.398 63.450 63.100 -1.747 0.000 0.832 97 P CB 0.108 30.050 31.700 -2.930 0.000 0.787 98 A N 0.390 122.713 122.820 -0.828 0.000 2.070 98 A HA -0.032 4.288 4.320 -0.000 0.000 0.220 98 A C 2.505 180.439 177.584 0.583 0.000 1.159 98 A CA 1.710 54.000 52.037 0.422 0.000 0.656 98 A CB -1.755 17.917 19.000 1.120 0.000 0.800 98 A HN 0.346 nan 8.150 nan 0.000 0.453 99 G N -0.728 108.114 108.800 0.069 0.000 2.572 99 G HA2 0.199 4.159 3.960 -0.000 0.000 0.216 99 G HA3 0.199 4.159 3.960 -0.000 0.000 0.216 99 G C 0.618 175.567 174.900 0.082 0.000 1.133 99 G CA -0.132 44.970 45.100 0.002 0.000 0.791 99 G HN 0.431 nan 8.290 nan 0.000 0.538 100 L N 1.144 122.360 121.223 -0.013 0.000 2.455 100 L HA 0.208 4.548 4.340 -0.000 0.000 0.272 100 L C 0.450 177.518 176.870 0.330 0.000 1.174 100 L CA -0.185 54.679 54.840 0.040 0.000 0.869 100 L CB 0.851 42.776 42.059 -0.223 0.000 1.130 100 L HN 0.073 nan 8.230 nan 0.000 0.474 101 K N 2.900 123.517 120.400 0.361 0.000 2.107 101 K HA 0.290 4.610 4.320 -0.000 0.000 0.251 101 K C -0.447 176.414 176.600 0.434 0.000 1.012 101 K CA -0.748 55.784 56.287 0.409 0.000 0.920 101 K CB 0.659 33.341 32.500 0.304 0.000 1.033 101 K HN 0.387 nan 8.250 nan 0.000 0.478 102 K N 2.066 122.640 120.400 0.290 0.000 2.297 102 K HA 0.156 4.476 4.320 -0.000 0.000 0.286 102 K C -0.262 176.395 176.600 0.095 0.000 1.053 102 K CA -0.355 56.007 56.287 0.125 0.000 0.940 102 K CB 0.679 33.164 32.500 -0.026 0.000 1.019 102 K HN 0.187 nan 8.250 nan 0.000 0.475 103 K N 2.339 122.785 120.400 0.076 0.000 2.221 103 K HA 0.255 4.575 4.320 -0.000 0.000 0.243 103 K C 0.589 177.162 176.600 -0.045 0.000 0.968 103 K CA -0.625 55.669 56.287 0.011 0.000 0.846 103 K CB 1.643 34.135 32.500 -0.014 0.000 1.141 103 K HN 0.371 nan 8.250 nan 0.000 0.434 104 K N 0.482 120.836 120.400 -0.078 0.000 2.021 104 K HA 0.073 4.393 4.320 -0.000 0.000 0.205 104 K C 0.270 176.778 176.600 -0.153 0.000 1.047 104 K CA 0.882 57.115 56.287 -0.091 0.000 0.943 104 K CB 0.151 32.603 32.500 -0.079 0.000 0.725 104 K HN 0.307 nan 8.250 nan 0.000 0.439 105 S N 0.798 116.320 115.700 -0.296 0.000 2.478 105 S HA 0.465 4.935 4.470 -0.000 0.000 0.312 105 S C -0.941 173.225 174.600 -0.723 0.000 1.094 105 S CA -0.767 57.077 58.200 -0.592 0.000 1.081 105 S CB 2.248 64.877 63.200 -0.952 0.000 1.007 105 S HN -0.093 nan 8.310 nan 0.000 0.475 106 V N 2.800 122.425 119.914 -0.481 0.000 2.851 106 V HA 0.761 4.881 4.120 -0.000 0.000 0.307 106 V C -0.409 175.426 176.094 -0.432 0.000 1.129 106 V CA -0.706 61.282 62.300 -0.520 0.000 0.932 106 V CB 2.423 33.839 31.823 -0.678 0.000 1.024 106 V HN 1.015 nan 8.190 nan 0.000 0.426 107 T N 0.783 115.046 114.554 -0.484 0.000 2.900 107 T HA 0.789 5.139 4.350 -0.000 0.000 0.303 107 T C -1.333 173.089 174.700 -0.462 0.000 1.142 107 T CA -0.785 61.124 62.100 -0.318 0.000 1.007 107 T CB 1.965 70.823 68.868 -0.017 0.000 1.156 107 T HN 0.353 nan 8.240 nan 0.000 0.490 108 V N 3.205 122.992 119.914 -0.212 0.000 2.357 108 V HA 0.369 4.489 4.120 -0.000 0.000 0.281 108 V C -0.354 175.781 176.094 0.069 0.000 1.015 108 V CA -0.807 61.456 62.300 -0.061 0.000 0.827 108 V CB 0.998 32.858 31.823 0.060 0.000 1.018 108 V HN 0.801 nan 8.190 nan 0.000 0.432 109 L N 4.224 125.472 121.223 0.041 0.000 2.281 109 L HA 0.460 4.800 4.340 -0.000 0.000 0.285 109 L C 0.408 177.333 176.870 0.093 0.000 1.074 109 L CA -0.090 54.781 54.840 0.052 0.000 0.817 109 L CB 0.685 42.751 42.059 0.012 0.000 1.168 109 L HN 0.540 nan 8.230 nan 0.000 0.434 110 D N 4.247 124.700 120.400 0.088 0.000 2.380 110 D HA 0.175 4.815 4.640 -0.000 0.000 0.230 110 D C -0.185 176.150 176.300 0.059 0.000 1.154 110 D CA -0.484 53.567 54.000 0.085 0.000 0.859 110 D CB 1.552 42.392 40.800 0.067 0.000 1.045 110 D HN 0.311 nan 8.370 nan 0.000 0.495 111 V N 2.278 122.238 119.914 0.076 0.000 2.485 111 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 111 V C 0.844 176.949 176.094 0.018 0.000 1.022 111 V CA -0.682 61.661 62.300 0.072 0.000 1.067 111 V CB 0.705 32.615 31.823 0.145 0.000 0.967 111 V HN 0.438 nan 8.190 nan 0.000 0.479 112 G N 2.680 111.481 108.800 0.002 0.000 2.348 112 G HA2 0.507 4.467 3.960 -0.000 0.000 0.312 112 G HA3 0.507 4.467 3.960 -0.000 0.000 0.312 112 G C 0.185 175.047 174.900 -0.064 0.000 1.126 112 G CA 0.300 45.374 45.100 -0.042 0.000 0.865 112 G HN 1.292 nan 8.290 nan 0.000 0.474 113 D N 0.637 120.957 120.400 -0.134 0.000 3.046 113 D HA -0.265 4.375 4.640 -0.000 0.000 0.210 113 D C 1.910 178.141 176.300 -0.115 0.000 1.124 113 D CA 1.872 55.781 54.000 -0.152 0.000 0.986 113 D CB -1.109 39.645 40.800 -0.078 0.000 1.118 113 D HN 0.787 nan 8.370 nan 0.000 0.416 114 A N -0.463 122.247 122.820 -0.184 0.000 2.001 114 A HA -0.316 4.004 4.320 -0.000 0.000 0.224 114 A C 1.880 179.292 177.584 -0.287 0.000 1.203 114 A CA 2.152 54.022 52.037 -0.277 0.000 0.667 114 A CB -0.858 17.819 19.000 -0.538 0.000 0.823 114 A HN 0.515 nan 8.150 nan 0.000 0.473 115 Y N -1.359 118.680 120.300 -0.434 0.000 2.060 115 Y HA -0.122 4.428 4.550 -0.000 0.000 0.276 115 Y C 2.248 178.228 175.900 0.133 0.000 1.127 115 Y CA 0.743 58.722 58.100 -0.201 0.000 1.104 115 Y CB -1.538 36.873 38.460 -0.081 0.000 0.983 115 Y HN 0.357 nan 8.280 nan 0.000 0.483 116 F N 0.046 120.044 119.950 0.079 0.000 2.380 116 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 116 F C 2.450 178.286 175.800 0.061 0.000 1.064 116 F CA 1.168 59.209 58.000 0.069 0.000 1.432 116 F CB -1.370 37.673 39.000 0.072 0.000 1.089 116 F HN -0.034 nan 8.300 nan 0.000 0.562 117 S N -1.223 114.617 115.700 0.234 0.000 2.458 117 S HA 0.056 4.526 4.470 -0.000 0.000 0.223 117 S C 0.889 175.585 174.600 0.160 0.000 1.019 117 S CA 0.103 58.408 58.200 0.175 0.000 0.937 117 S CB 0.159 63.452 63.200 0.154 0.000 0.788 117 S HN -0.050 nan 8.310 nan 0.000 0.511 118 V N 5.759 125.771 119.914 0.163 0.000 2.353 118 V HA 0.229 4.349 4.120 -0.000 0.000 0.264 118 V C -2.127 174.027 176.094 0.099 0.000 1.049 118 V CA -2.188 60.207 62.300 0.158 0.000 0.896 118 V CB 0.804 32.764 31.823 0.228 0.000 1.025 118 V HN 0.225 nan 8.190 nan 0.000 0.475 119 P HA -0.018 nan 4.420 nan 0.000 0.264 119 P C -0.579 176.755 177.300 0.057 0.000 1.183 119 P CA -0.218 62.920 63.100 0.064 0.000 0.763 119 P CB 1.242 32.987 31.700 0.074 0.000 0.807 120 L N 3.261 124.508 121.223 0.039 0.000 2.334 120 L HA 0.344 4.684 4.340 -0.000 0.000 0.277 120 L C 0.298 177.200 176.870 0.053 0.000 1.075 120 L CA -0.377 54.486 54.840 0.037 0.000 0.804 120 L CB 0.322 42.379 42.059 -0.004 0.000 1.174 120 L HN 0.287 nan 8.230 nan 0.000 0.438 121 D N 2.686 123.126 120.400 0.067 0.000 2.493 121 D HA -0.052 4.588 4.640 -0.000 0.000 0.240 121 D C 0.929 177.283 176.300 0.091 0.000 1.142 121 D CA 0.281 54.331 54.000 0.083 0.000 0.872 121 D CB 0.913 41.772 40.800 0.098 0.000 1.173 121 D HN 0.563 nan 8.370 nan 0.000 0.467 122 E N 2.899 123.140 120.200 0.068 0.000 2.033 122 E HA -0.193 4.157 4.350 -0.000 0.000 0.199 122 E C 0.943 177.574 176.600 0.051 0.000 1.011 122 E CA 1.231 57.660 56.400 0.047 0.000 0.815 122 E CB -0.220 29.500 29.700 0.032 0.000 0.755 122 E HN 0.683 nan 8.360 nan 0.000 0.451 123 D N -0.675 119.770 120.400 0.075 0.000 2.400 123 D HA -0.119 4.521 4.640 -0.000 0.000 0.242 123 D C 0.987 177.390 176.300 0.173 0.000 1.077 123 D CA 0.358 54.408 54.000 0.084 0.000 0.943 123 D CB -0.148 40.708 40.800 0.094 0.000 0.882 123 D HN 0.128 nan 8.370 nan 0.000 0.529 124 F N 0.156 120.112 119.950 0.011 0.000 2.834 124 F HA 0.191 4.718 4.527 -0.000 0.000 0.332 124 F C 1.897 177.675 175.800 -0.036 0.000 1.056 124 F CA -0.336 57.727 58.000 0.106 0.000 1.178 124 F CB 0.378 39.393 39.000 0.024 0.000 1.037 124 F HN -0.323 nan 8.300 nan 0.000 0.580 125 R N 1.063 121.559 120.500 -0.008 0.000 2.105 125 R HA -0.178 4.162 4.340 -0.000 0.000 0.239 125 R C 1.856 178.005 176.300 -0.252 0.000 1.135 125 R CA 1.981 58.030 56.100 -0.085 0.000 0.967 125 R CB -0.356 29.929 30.300 -0.025 0.000 0.861 125 R HN 0.280 nan 8.270 nan 0.000 0.442 126 K N 0.125 120.277 120.400 -0.414 0.000 2.049 126 K HA -0.261 4.059 4.320 -0.000 0.000 0.219 126 K C 1.954 178.186 176.600 -0.614 0.000 1.056 126 K CA 2.318 58.287 56.287 -0.529 0.000 0.946 126 K CB -0.621 31.358 32.500 -0.869 0.000 0.723 126 K HN 0.250 nan 8.250 nan 0.000 0.453 127 Y N 1.209 121.127 120.300 -0.636 0.000 2.315 127 Y HA -0.171 4.379 4.550 -0.000 0.000 0.288 127 Y C 2.585 178.274 175.900 -0.351 0.000 1.154 127 Y CA 1.390 59.038 58.100 -0.754 0.000 1.229 127 Y CB -1.239 36.515 38.460 -1.177 0.000 0.980 127 Y HN 0.268 nan 8.280 nan 0.000 0.540 128 T N -1.933 112.554 114.554 -0.113 0.000 3.252 128 T HA 0.450 4.800 4.350 -0.000 0.000 0.250 128 T C 0.819 175.718 174.700 0.332 0.000 1.123 128 T CA 0.046 62.262 62.100 0.194 0.000 1.006 128 T CB -0.762 68.258 68.868 0.254 0.000 0.992 128 T HN 0.265 nan 8.240 nan 0.000 0.547 129 A N 1.669 124.579 122.820 0.151 0.000 2.425 129 A HA 0.591 4.911 4.320 -0.000 0.000 0.242 129 A C -0.103 177.595 177.584 0.189 0.000 1.077 129 A CA -0.586 51.507 52.037 0.094 0.000 0.781 129 A CB -0.222 18.766 19.000 -0.020 0.000 1.020 129 A HN 0.832 nan 8.150 nan 0.000 0.494 130 F N -1.019 118.927 119.950 -0.008 0.000 2.654 130 F HA 0.737 5.264 4.527 -0.000 0.000 0.308 130 F C -0.182 175.593 175.800 -0.042 0.000 1.108 130 F CA -0.364 57.605 58.000 -0.051 0.000 0.957 130 F CB 1.089 40.035 39.000 -0.089 0.000 1.309 130 F HN 0.694 nan 8.300 nan 0.000 0.446 131 T N -0.273 114.263 114.554 -0.029 0.000 2.940 131 T HA 0.846 5.196 4.350 -0.000 0.000 0.288 131 T C -0.847 173.881 174.700 0.047 0.000 1.045 131 T CA -0.842 61.195 62.100 -0.105 0.000 1.018 131 T CB 2.084 70.889 68.868 -0.104 0.000 1.151 131 T HN 0.740 nan 8.240 nan 0.000 0.529 132 I N 1.703 122.279 120.570 0.010 0.000 2.439 132 I HA 0.361 4.531 4.170 -0.000 0.000 0.285 132 I C -2.553 173.573 176.117 0.015 0.000 1.021 132 I CA -2.577 58.766 61.300 0.071 0.000 1.091 132 I CB 2.110 40.187 38.000 0.127 0.000 1.242 132 I HN 0.427 nan 8.210 nan 0.000 0.439 142 I N 0.210 120.694 120.570 -0.143 0.000 2.472 142 I HA 0.530 4.700 4.170 -0.000 0.000 0.290 142 I C 0.535 176.420 176.117 -0.387 0.000 1.016 142 I CA -0.335 60.803 61.300 -0.270 0.000 1.348 142 I CB 1.306 39.179 38.000 -0.211 0.000 1.417 142 I HN 0.512 nan 8.210 nan 0.000 0.521 143 R N 4.957 125.111 120.500 -0.577 0.000 2.451 143 R HA 0.502 4.842 4.340 -0.000 0.000 0.307 143 R C -1.684 174.157 176.300 -0.764 0.000 0.965 143 R CA -0.463 55.297 56.100 -0.566 0.000 0.865 143 R CB 1.316 31.405 30.300 -0.353 0.000 1.174 143 R HN 0.447 nan 8.270 nan 0.000 0.455 144 Y N 0.912 120.725 120.300 -0.810 0.000 2.630 144 Y HA 0.430 4.980 4.550 -0.000 0.000 0.337 144 Y C -0.224 175.231 175.900 -0.742 0.000 1.051 144 Y CA -0.690 56.910 58.100 -0.832 0.000 1.121 144 Y CB 2.115 39.944 38.460 -1.051 0.000 1.299 144 Y HN 0.409 nan 8.280 nan 0.000 0.498 145 Q N 0.729 120.436 119.800 -0.154 0.000 2.284 145 Q HA 0.344 4.684 4.340 -0.000 0.000 0.269 145 Q C -1.852 174.182 176.000 0.056 0.000 1.026 145 Q CA -0.741 55.056 55.803 -0.011 0.000 0.831 145 Q CB 1.564 30.278 28.738 -0.041 0.000 1.322 145 Q HN 0.713 nan 8.270 nan 0.000 0.419 146 Y N 1.841 122.234 120.300 0.155 0.000 2.511 146 Y HA 0.031 4.581 4.550 -0.000 0.000 0.347 146 Y C 1.184 177.072 175.900 -0.020 0.000 1.257 146 Y CA 0.854 58.986 58.100 0.053 0.000 1.469 146 Y CB 0.588 39.068 38.460 0.034 0.000 1.353 146 Y HN 0.670 nan 8.280 nan 0.000 0.617 147 N N -0.356 118.435 118.700 0.152 0.000 2.143 147 N HA 0.175 4.915 4.740 -0.000 0.000 0.222 147 N C -1.296 174.232 175.510 0.030 0.000 1.264 147 N CA 0.360 53.447 53.050 0.061 0.000 0.897 147 N CB 1.200 39.704 38.487 0.028 0.000 1.092 147 N HN 0.213 nan 8.380 nan 0.000 0.516 148 V N 0.931 120.847 119.914 0.004 0.000 3.114 148 V HA 0.370 4.490 4.120 -0.000 0.000 0.308 148 V C 0.083 176.093 176.094 -0.140 0.000 1.168 148 V CA -1.022 61.244 62.300 -0.058 0.000 1.015 148 V CB 2.822 34.579 31.823 -0.110 0.000 1.050 148 V HN -0.041 nan 8.190 nan 0.000 0.433 149 L N 3.835 125.000 121.223 -0.097 0.000 2.771 149 L HA 0.012 4.352 4.340 -0.000 0.000 0.278 149 L C -2.240 174.485 176.870 -0.242 0.000 1.175 149 L CA -0.365 54.387 54.840 -0.147 0.000 0.973 149 L CB -0.212 41.679 42.059 -0.280 0.000 1.286 149 L HN 0.421 nan 8.230 nan 0.000 0.481 150 P HA 0.080 nan 4.420 nan 0.000 0.274 150 P C -0.071 177.202 177.300 -0.044 0.000 1.237 150 P CA -0.436 62.337 63.100 -0.544 0.000 0.793 150 P CB 0.776 32.012 31.700 -0.773 0.000 0.977 151 Q N 1.186 121.115 119.800 0.216 0.000 1.975 151 Q HA -0.098 4.242 4.340 -0.000 0.000 0.205 151 Q C 2.205 178.373 176.000 0.279 0.000 0.990 151 Q CA 2.428 58.425 55.803 0.323 0.000 0.845 151 Q CB -1.346 27.570 28.738 0.296 0.000 0.913 151 Q HN 0.654 nan 8.270 nan 0.000 0.420 152 G N -1.153 107.891 108.800 0.407 0.000 2.712 152 G HA2 -0.115 3.845 3.960 -0.000 0.000 0.212 152 G HA3 -0.115 3.845 3.960 -0.000 0.000 0.212 152 G C -0.349 174.679 174.900 0.214 0.000 1.142 152 G CA -0.509 44.814 45.100 0.371 0.000 0.789 152 G HN 0.222 nan 8.290 nan 0.000 0.535 153 W N 1.901 123.049 121.300 -0.254 0.000 2.293 153 W HA 0.143 4.803 4.660 -0.000 0.000 0.342 153 W C 1.588 177.970 176.519 -0.228 0.000 1.274 153 W CA -0.682 56.398 57.345 -0.442 0.000 1.290 153 W CB 0.782 29.831 29.460 -0.686 0.000 1.176 153 W HN 0.042 nan 8.180 nan 0.000 0.570 154 K N 3.013 122.884 120.400 -0.882 0.000 2.147 154 K HA -0.114 4.206 4.320 -0.000 0.000 0.205 154 K C 1.941 177.882 176.600 -1.099 0.000 1.049 154 K CA 1.734 57.574 56.287 -0.745 0.000 0.936 154 K CB -0.462 31.797 32.500 -0.402 0.000 0.722 154 K HN 0.735 nan 8.250 nan 0.000 0.446 155 G N 0.122 107.605 108.800 -2.195 0.000 2.404 155 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.214 155 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.214 155 G C 1.308 175.425 174.900 -1.304 0.000 1.189 155 G CA 0.788 44.574 45.100 -2.190 0.000 0.789 155 G HN 0.327 nan 8.290 nan 0.000 0.533 156 S N 1.738 116.847 115.700 -0.984 0.000 2.469 156 S HA -0.253 4.217 4.470 -0.000 0.000 0.309 156 S C 0.523 174.760 174.600 -0.605 0.000 1.209 156 S CA 2.325 60.052 58.200 -0.787 0.000 1.281 156 S CB -1.499 61.213 63.200 -0.814 0.000 1.265 156 S HN 0.507 nan 8.310 nan 0.000 0.452 157 P HA -0.128 nan 4.420 nan 0.000 0.211 157 P C 1.413 178.581 177.300 -0.220 0.000 1.179 157 P CA 2.000 65.042 63.100 -0.096 0.000 0.910 157 P CB -0.267 31.354 31.700 -0.132 0.000 0.785 158 A N -0.191 122.374 122.820 -0.426 0.000 1.978 158 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 158 A C 2.344 179.692 177.584 -0.394 0.000 1.170 158 A CA 1.588 53.365 52.037 -0.434 0.000 0.636 158 A CB -1.252 17.396 19.000 -0.586 0.000 0.810 158 A HN 0.109 nan 8.150 nan 0.000 0.448 159 I N -1.854 118.435 120.570 -0.470 0.000 2.333 159 I HA -0.095 4.075 4.170 -0.000 0.000 0.246 159 I C 2.261 178.311 176.117 -0.113 0.000 1.106 159 I CA 0.896 62.029 61.300 -0.278 0.000 1.411 159 I CB -1.501 36.340 38.000 -0.266 0.000 1.082 159 I HN 0.414 nan 8.210 nan 0.000 0.420 160 F N 2.181 121.996 119.950 -0.226 0.000 2.126 160 F HA -0.263 4.264 4.527 -0.000 0.000 0.299 160 F C 2.717 178.480 175.800 -0.062 0.000 1.096 160 F CA 2.056 60.005 58.000 -0.085 0.000 1.255 160 F CB -0.648 38.401 39.000 0.082 0.000 0.997 160 F HN 0.162 nan 8.300 nan 0.000 0.479 161 Q N -0.615 118.984 119.800 -0.335 0.000 2.050 161 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 161 Q C 2.495 178.307 176.000 -0.314 0.000 0.980 161 Q CA 2.162 57.728 55.803 -0.395 0.000 0.840 161 Q CB -0.500 28.096 28.738 -0.237 0.000 0.898 161 Q HN 0.417 nan 8.270 nan 0.000 0.424 162 S N -0.540 115.033 115.700 -0.211 0.000 2.370 162 S HA -0.157 4.313 4.470 -0.000 0.000 0.226 162 S C 1.973 176.478 174.600 -0.159 0.000 1.033 162 S CA 1.654 59.768 58.200 -0.144 0.000 1.011 162 S CB -0.266 62.880 63.200 -0.090 0.000 0.852 162 S HN 0.519 nan 8.310 nan 0.000 0.457 163 S N 1.680 117.277 115.700 -0.173 0.000 2.338 163 S HA -0.021 4.449 4.470 -0.000 0.000 0.218 163 S C 2.002 176.453 174.600 -0.248 0.000 1.032 163 S CA 1.370 59.482 58.200 -0.148 0.000 0.999 163 S CB -0.426 62.759 63.200 -0.025 0.000 0.905 163 S HN 0.411 nan 8.310 nan 0.000 0.439 164 M N 1.844 121.197 119.600 -0.411 0.000 2.143 164 M HA -0.145 4.335 4.480 -0.000 0.000 0.258 164 M C 2.502 178.645 176.300 -0.263 0.000 1.071 164 M CA 2.043 57.098 55.300 -0.408 0.000 1.088 164 M CB -1.966 30.238 32.600 -0.660 0.000 1.360 164 M HN 0.646 nan 8.290 nan 0.000 0.404 165 T N -2.572 111.846 114.554 -0.226 0.000 2.851 165 T HA -0.075 4.275 4.350 -0.000 0.000 0.262 165 T C 1.837 176.458 174.700 -0.133 0.000 1.043 165 T CA 0.889 62.906 62.100 -0.139 0.000 1.140 165 T CB -0.213 68.595 68.868 -0.101 0.000 0.872 165 T HN 0.342 nan 8.240 nan 0.000 0.446 166 K N 0.859 121.163 120.400 -0.160 0.000 2.103 166 K HA 0.035 4.355 4.320 -0.000 0.000 0.207 166 K C 2.236 178.681 176.600 -0.258 0.000 1.048 166 K CA 1.625 57.814 56.287 -0.164 0.000 0.930 166 K CB -0.437 31.971 32.500 -0.155 0.000 0.716 166 K HN 0.433 nan 8.250 nan 0.000 0.444 167 I N 0.888 121.220 120.570 -0.398 0.000 2.286 167 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 167 I C 2.146 178.162 176.117 -0.169 0.000 1.104 167 I CA 1.047 61.974 61.300 -0.622 0.000 1.397 167 I CB -0.199 37.326 38.000 -0.791 0.000 1.072 167 I HN 0.110 nan 8.210 nan 0.000 0.417 168 L N 0.384 121.555 121.223 -0.086 0.000 2.093 168 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 168 L C 2.685 179.603 176.870 0.080 0.000 1.085 168 L CA 0.947 55.811 54.840 0.040 0.000 0.755 168 L CB -0.734 41.334 42.059 0.016 0.000 0.904 168 L HN 0.334 nan 8.230 nan 0.000 0.435 169 E N 1.010 121.225 120.200 0.025 0.000 2.136 169 E HA -0.266 4.084 4.350 -0.000 0.000 0.208 169 E C -0.435 176.195 176.600 0.051 0.000 1.035 169 E CA 2.309 58.729 56.400 0.033 0.000 0.838 169 E CB -1.157 28.547 29.700 0.006 0.000 0.748 169 E HN 0.310 nan 8.360 nan 0.000 0.459 170 P HA -0.115 nan 4.420 nan 0.000 0.212 170 P C 1.504 178.800 177.300 -0.007 0.000 1.180 170 P CA 1.551 64.697 63.100 0.077 0.000 0.906 170 P CB -0.471 31.358 31.700 0.215 0.000 0.782 171 F N 0.889 120.660 119.950 -0.297 0.000 2.236 171 F HA -0.210 4.317 4.527 -0.000 0.000 0.302 171 F C 1.707 177.421 175.800 -0.144 0.000 1.073 171 F CA 1.633 59.435 58.000 -0.329 0.000 1.336 171 F CB -0.370 38.356 39.000 -0.457 0.000 1.040 171 F HN -0.211 nan 8.300 nan 0.000 0.507 172 K N 0.246 120.693 120.400 0.079 0.000 2.062 172 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 172 K C 2.052 178.608 176.600 -0.074 0.000 1.051 172 K CA 1.315 57.613 56.287 0.019 0.000 0.941 172 K CB -0.198 32.353 32.500 0.086 0.000 0.719 172 K HN 0.231 nan 8.250 nan 0.000 0.440 173 K N 1.047 121.416 120.400 -0.053 0.000 2.211 173 K HA -0.221 4.099 4.320 -0.000 0.000 0.204 173 K C 2.208 178.746 176.600 -0.103 0.000 1.047 173 K CA 1.250 57.504 56.287 -0.054 0.000 0.935 173 K CB 0.016 32.501 32.500 -0.026 0.000 0.728 173 K HN 0.236 nan 8.250 nan 0.000 0.452 174 Q N 0.898 120.592 119.800 -0.178 0.000 2.269 174 Q HA -0.059 4.281 4.340 -0.000 0.000 0.201 174 Q C -0.325 175.492 176.000 -0.305 0.000 0.946 174 Q CA 0.988 56.649 55.803 -0.236 0.000 0.877 174 Q CB 0.329 28.887 28.738 -0.300 0.000 0.963 174 Q HN 0.273 nan 8.270 nan 0.000 0.472 175 N N 0.587 119.052 118.700 -0.390 0.000 2.813 175 N HA 0.195 4.935 4.740 -0.000 0.000 0.282 175 N C -2.456 172.956 175.510 -0.164 0.000 1.748 175 N CA -1.153 51.696 53.050 -0.336 0.000 0.860 175 N CB 1.623 39.754 38.487 -0.593 0.000 1.204 175 N HN 0.090 nan 8.380 nan 0.000 0.490 176 P HA -0.166 nan 4.420 nan 0.000 0.222 176 P C 0.339 177.625 177.300 -0.024 0.000 1.142 176 P CA 1.086 64.160 63.100 -0.044 0.000 0.788 176 P CB 0.260 31.938 31.700 -0.036 0.000 0.767 177 D N -0.824 119.555 120.400 -0.034 0.000 2.194 177 D HA -0.006 4.634 4.640 -0.000 0.000 0.204 177 D C 1.064 177.365 176.300 0.000 0.000 0.964 177 D CA 0.658 54.650 54.000 -0.013 0.000 0.846 177 D CB 0.057 40.848 40.800 -0.016 0.000 0.962 177 D HN 0.251 nan 8.370 nan 0.000 0.490 178 I N 1.395 121.967 120.570 0.004 0.000 2.581 178 I HA 0.087 4.257 4.170 -0.000 0.000 0.288 178 I C -0.074 176.055 176.117 0.020 0.000 1.047 178 I CA -0.421 60.902 61.300 0.039 0.000 1.374 178 I CB 1.777 39.847 38.000 0.115 0.000 1.423 178 I HN -0.341 nan 8.210 nan 0.000 0.549 179 V N 7.031 126.926 119.914 -0.031 0.000 2.409 179 V HA 0.418 4.538 4.120 -0.000 0.000 0.290 179 V C -0.136 175.839 176.094 -0.198 0.000 1.017 179 V CA -0.371 61.854 62.300 -0.126 0.000 0.841 179 V CB 1.442 33.135 31.823 -0.217 0.000 1.003 179 V HN 0.440 nan 8.190 nan 0.000 0.426 180 I N 5.336 125.853 120.570 -0.089 0.000 2.362 180 I HA 0.488 4.658 4.170 -0.000 0.000 0.289 180 I C -1.179 175.031 176.117 0.155 0.000 0.994 180 I CA -0.699 60.596 61.300 -0.009 0.000 1.158 180 I CB 1.411 39.450 38.000 0.066 0.000 1.315 180 I HN 0.409 nan 8.210 nan 0.000 0.451 181 Y N 4.745 125.146 120.300 0.170 0.000 2.341 181 Y HA 0.420 4.970 4.550 -0.000 0.000 0.338 181 Y C 0.085 176.209 175.900 0.372 0.000 0.965 181 Y CA -1.149 57.079 58.100 0.213 0.000 1.108 181 Y CB 1.564 40.095 38.460 0.119 0.000 1.180 181 Y HN 0.520 nan 8.280 nan 0.000 0.458 182 Q N 2.757 122.833 119.800 0.460 0.000 2.266 182 Q HA 0.452 4.792 4.340 -0.000 0.000 0.261 182 Q C -2.022 174.173 176.000 0.326 0.000 0.985 182 Q CA -0.859 55.151 55.803 0.345 0.000 0.873 182 Q CB 1.794 30.606 28.738 0.123 0.000 1.306 182 Q HN 0.766 nan 8.270 nan 0.000 0.447 183 Y N 5.370 125.721 120.300 0.086 0.000 2.323 183 Y HA 0.237 4.787 4.550 -0.000 0.000 0.333 183 Y C -0.643 175.207 175.900 -0.082 0.000 1.173 183 Y CA -0.189 57.848 58.100 -0.104 0.000 1.342 183 Y CB 0.245 38.480 38.460 -0.374 0.000 1.168 183 Y HN 0.991 nan 8.280 nan 0.000 0.464 184 M N 0.658 120.062 119.600 -0.327 0.000 7.319 184 M HA -0.292 4.189 4.480 -0.000 0.000 0.215 184 M C 0.393 176.742 176.300 0.082 0.000 0.480 184 M CA 1.689 56.889 55.300 -0.166 0.000 1.311 184 M CB -0.728 31.695 32.600 -0.295 0.000 0.421 184 M HN 0.669 nan 8.290 nan 0.000 0.582 185 D N 1.032 121.446 120.400 0.023 0.000 2.348 185 D HA 0.053 4.693 4.640 -0.000 0.000 0.248 185 D C -0.506 175.857 176.300 0.105 0.000 1.142 185 D CA 0.761 54.797 54.000 0.060 0.000 0.904 185 D CB -0.672 40.075 40.800 -0.089 0.000 0.901 185 D HN 0.383 nan 8.370 nan 0.000 0.523 186 D N 0.765 121.258 120.400 0.155 0.000 2.492 186 D HA 0.263 4.903 4.640 -0.000 0.000 0.248 186 D C -0.132 176.393 176.300 0.375 0.000 1.101 186 D CA -0.501 53.650 54.000 0.252 0.000 0.840 186 D CB 2.194 43.161 40.800 0.279 0.000 1.209 186 D HN 0.092 nan 8.370 nan 0.000 0.524 187 L N 3.193 124.592 121.223 0.293 0.000 2.297 187 L HA 0.208 4.548 4.340 -0.000 0.000 0.277 187 L C -0.438 176.535 176.870 0.173 0.000 1.040 187 L CA -0.948 54.041 54.840 0.250 0.000 0.867 187 L CB 0.448 42.572 42.059 0.107 0.000 1.244 187 L HN 0.371 nan 8.230 nan 0.000 0.433 188 Y N 4.628 124.916 120.300 -0.020 0.000 2.531 188 Y HA 0.289 4.839 4.550 -0.000 0.000 0.347 188 Y C -0.421 175.267 175.900 -0.354 0.000 1.024 188 Y CA -0.364 57.455 58.100 -0.468 0.000 1.306 188 Y CB 0.654 38.312 38.460 -1.338 0.000 1.149 188 Y HN 0.218 nan 8.280 nan 0.000 0.527 189 V N 7.199 126.826 119.914 -0.479 0.000 2.334 189 V HA 0.666 4.786 4.120 -0.000 0.000 0.281 189 V C 0.470 176.267 176.094 -0.496 0.000 1.016 189 V CA -0.302 61.797 62.300 -0.334 0.000 0.832 189 V CB 0.882 32.600 31.823 -0.176 0.000 0.999 189 V HN 0.998 nan 8.190 nan 0.000 0.439 190 G N 2.952 111.478 108.800 -0.456 0.000 2.498 190 G HA2 0.831 4.791 3.960 -0.000 0.000 0.312 190 G HA3 0.831 4.791 3.960 -0.000 0.000 0.312 190 G C -0.690 174.124 174.900 -0.144 0.000 1.230 190 G CA -0.447 44.414 45.100 -0.399 0.000 0.968 190 G HN 1.064 nan 8.290 nan 0.000 0.481 191 S N -0.179 115.427 115.700 -0.157 0.000 2.579 191 S HA 0.271 4.741 4.470 -0.000 0.000 0.290 191 S C -1.778 172.747 174.600 -0.126 0.000 1.123 191 S CA -0.927 57.230 58.200 -0.072 0.000 0.894 191 S CB 1.945 65.177 63.200 0.054 0.000 1.095 191 S HN 0.397 nan 8.310 nan 0.000 0.450 192 D N 2.682 123.044 120.400 -0.063 0.000 2.508 192 D HA 0.441 5.081 4.640 -0.000 0.000 0.224 192 D C -0.253 176.018 176.300 -0.047 0.000 1.171 192 D CA 0.329 54.293 54.000 -0.060 0.000 1.006 192 D CB 0.035 40.820 40.800 -0.025 0.000 1.073 192 D HN 0.463 nan 8.370 nan 0.000 0.513 193 L N 0.756 121.935 121.223 -0.074 0.000 2.341 193 L HA 0.291 4.631 4.340 -0.000 0.000 0.254 193 L C 0.043 176.898 176.870 -0.024 0.000 1.040 193 L CA -1.210 53.615 54.840 -0.026 0.000 0.837 193 L CB 1.887 43.965 42.059 0.031 0.000 1.425 193 L HN -0.118 nan 8.230 nan 0.000 0.414 194 E N 1.359 121.565 120.200 0.011 0.000 2.351 194 E HA 0.059 4.409 4.350 -0.000 0.000 0.266 194 E C 1.004 177.631 176.600 0.045 0.000 1.031 194 E CA -0.112 56.298 56.400 0.018 0.000 0.911 194 E CB 0.324 30.038 29.700 0.022 0.000 0.986 194 E HN 0.314 nan 8.360 nan 0.000 0.446 195 I N 2.678 123.270 120.570 0.035 0.000 2.358 195 I HA -0.301 3.869 4.170 -0.000 0.000 0.257 195 I C 1.751 177.927 176.117 0.097 0.000 1.123 195 I CA 1.785 63.129 61.300 0.074 0.000 1.393 195 I CB -1.409 36.624 38.000 0.055 0.000 1.073 195 I HN 0.671 nan 8.210 nan 0.000 0.437 196 G N 0.228 109.067 108.800 0.066 0.000 2.505 196 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.214 196 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.214 196 G C 1.452 176.391 174.900 0.065 0.000 1.237 196 G CA 0.319 45.452 45.100 0.056 0.000 0.802 196 G HN 0.425 nan 8.290 nan 0.000 0.549 197 Q N -0.634 119.204 119.800 0.064 0.000 2.234 197 Q HA -0.152 4.188 4.340 -0.000 0.000 0.206 197 Q C 2.209 178.267 176.000 0.096 0.000 0.980 197 Q CA 1.215 57.056 55.803 0.063 0.000 0.869 197 Q CB -0.327 28.442 28.738 0.051 0.000 0.912 197 Q HN 0.723 nan 8.270 nan 0.000 0.436 198 H N 1.165 120.240 119.070 0.009 0.000 2.276 198 H HA -0.105 4.451 4.556 -0.000 0.000 0.301 198 H C 2.318 177.656 175.328 0.017 0.000 1.073 198 H CA 1.602 57.654 56.048 0.007 0.000 1.311 198 H CB 0.125 29.885 29.762 -0.005 0.000 1.379 198 H HN 0.129 nan 8.280 nan 0.000 0.494 199 R N 0.089 120.609 120.500 0.033 0.000 2.134 199 R HA -0.167 4.173 4.340 -0.000 0.000 0.248 199 R C 2.150 178.421 176.300 -0.048 0.000 1.143 199 R CA 2.490 58.571 56.100 -0.032 0.000 0.957 199 R CB -0.457 29.861 30.300 0.030 0.000 0.867 199 R HN 0.329 nan 8.270 nan 0.000 0.441 200 T N 1.187 115.736 114.554 -0.008 0.000 2.708 200 T HA -0.086 4.264 4.350 -0.000 0.000 0.266 200 T C 1.705 176.411 174.700 0.010 0.000 1.037 200 T CA 1.287 63.391 62.100 0.007 0.000 1.146 200 T CB -0.083 68.799 68.868 0.022 0.000 0.865 200 T HN 0.213 nan 8.240 nan 0.000 0.435 201 K N 0.985 121.388 120.400 0.005 0.000 2.032 201 K HA 0.008 4.328 4.320 -0.000 0.000 0.209 201 K C 2.209 178.828 176.600 0.031 0.000 1.048 201 K CA 0.866 57.190 56.287 0.061 0.000 0.927 201 K CB -0.656 31.889 32.500 0.075 0.000 0.712 201 K HN 0.301 nan 8.250 nan 0.000 0.441 202 I N 1.580 122.064 120.570 -0.142 0.000 2.335 202 I HA -0.229 3.941 4.170 -0.000 0.000 0.251 202 I C 2.429 178.498 176.117 -0.081 0.000 1.129 202 I CA 1.144 62.340 61.300 -0.174 0.000 1.402 202 I CB -1.093 36.733 38.000 -0.291 0.000 1.069 202 I HN 0.372 nan 8.210 nan 0.000 0.424 203 E N 1.580 121.757 120.200 -0.038 0.000 2.012 203 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 203 E C 1.963 178.581 176.600 0.030 0.000 1.007 203 E CA 1.753 58.153 56.400 -0.000 0.000 0.816 203 E CB -0.071 29.638 29.700 0.015 0.000 0.762 203 E HN 0.516 nan 8.360 nan 0.000 0.451 204 E N 0.422 120.667 120.200 0.075 0.000 2.068 204 E HA -0.270 4.080 4.350 -0.000 0.000 0.207 204 E C 2.268 178.948 176.600 0.133 0.000 1.032 204 E CA 1.655 58.143 56.400 0.148 0.000 0.839 204 E CB -0.398 29.446 29.700 0.240 0.000 0.758 204 E HN 0.252 nan 8.360 nan 0.000 0.457 205 L N 1.394 122.626 121.223 0.015 0.000 2.013 205 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 205 L C 2.433 179.203 176.870 -0.167 0.000 1.073 205 L CA 1.950 56.531 54.840 -0.432 0.000 0.753 205 L CB -0.398 41.220 42.059 -0.736 0.000 0.890 205 L HN -0.018 nan 8.230 nan 0.000 0.432 206 R N -1.038 119.409 120.500 -0.088 0.000 2.127 206 R HA -0.212 4.128 4.340 -0.000 0.000 0.238 206 R C 2.233 178.551 176.300 0.030 0.000 1.134 206 R CA 1.990 58.072 56.100 -0.029 0.000 0.975 206 R CB -0.145 30.142 30.300 -0.022 0.000 0.865 206 R HN 0.612 nan 8.270 nan 0.000 0.447 207 Q N -1.515 118.322 119.800 0.062 0.000 2.187 207 Q HA -0.150 4.190 4.340 -0.000 0.000 0.199 207 Q C 1.966 178.060 176.000 0.157 0.000 0.957 207 Q CA 1.052 56.911 55.803 0.094 0.000 0.857 207 Q CB -0.147 28.647 28.738 0.093 0.000 0.929 207 Q HN 0.551 nan 8.270 nan 0.000 0.453 208 H N 1.216 120.342 119.070 0.093 0.000 2.293 208 H HA -0.118 4.438 4.556 -0.000 0.000 0.300 208 H C 2.025 177.526 175.328 0.288 0.000 1.082 208 H CA 1.336 57.503 56.048 0.198 0.000 1.308 208 H CB 0.066 29.928 29.762 0.167 0.000 1.375 208 H HN 0.199 nan 8.280 nan 0.000 0.495 209 L N 0.299 121.627 121.223 0.176 0.000 2.043 209 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 209 L C 2.878 179.840 176.870 0.154 0.000 1.075 209 L CA 0.873 55.789 54.840 0.128 0.000 0.752 209 L CB -0.505 41.597 42.059 0.073 0.000 0.891 209 L HN 0.259 nan 8.230 nan 0.000 0.432 210 L N 0.125 121.412 121.223 0.107 0.000 2.079 210 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 210 L C 2.538 179.432 176.870 0.040 0.000 1.081 210 L CA 1.659 56.543 54.840 0.074 0.000 0.752 210 L CB -0.481 41.609 42.059 0.052 0.000 0.896 210 L HN 0.103 nan 8.230 nan 0.000 0.433 211 R N -2.126 118.375 120.500 0.001 0.000 2.339 211 R HA -0.113 4.227 4.340 -0.000 0.000 0.199 211 R C 0.497 176.569 176.300 -0.381 0.000 1.018 211 R CA 0.851 56.841 56.100 -0.183 0.000 1.036 211 R CB -0.258 29.891 30.300 -0.252 0.000 0.899 211 R HN 0.445 nan 8.270 nan 0.000 0.473 212 W N -0.826 120.419 121.300 -0.092 0.000 2.653 212 W HA 0.291 4.950 4.660 -0.000 0.000 0.391 212 W C 1.101 177.613 176.519 -0.011 0.000 0.962 212 W CA 0.199 57.502 57.345 -0.069 0.000 1.900 212 W CB 0.968 30.356 29.460 -0.121 0.000 1.176 212 W HN 0.180 nan 8.180 nan 0.000 0.582 213 G N 0.793 109.688 108.800 0.158 0.000 2.245 213 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.264 213 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.264 213 G C 0.237 175.220 174.900 0.138 0.000 0.985 213 G CA 0.145 45.322 45.100 0.128 0.000 0.625 213 G HN 0.147 nan 8.290 nan 0.000 0.536 214 L N 2.607 123.932 121.223 0.169 0.000 2.407 214 L HA 0.353 4.693 4.340 -0.000 0.000 0.282 214 L C 0.306 177.237 176.870 0.101 0.000 1.110 214 L CA -0.019 54.907 54.840 0.143 0.000 0.863 214 L CB 0.602 42.758 42.059 0.160 0.000 1.207 214 L HN 0.078 nan 8.230 nan 0.000 0.454 215 T N 1.043 115.644 114.554 0.079 0.000 2.744 215 T HA 0.292 4.642 4.350 -0.000 0.000 0.291 215 T C 0.502 175.229 174.700 0.045 0.000 0.957 215 T CA -0.574 61.559 62.100 0.056 0.000 1.002 215 T CB 0.906 69.801 68.868 0.046 0.000 0.919 215 T HN 0.610 nan 8.240 nan 0.000 0.468 216 T N 2.250 116.828 114.554 0.039 0.000 2.781 216 T HA 0.456 4.806 4.350 -0.000 0.000 0.305 216 T C -2.513 172.202 174.700 0.026 0.000 1.001 216 T CA -2.071 60.048 62.100 0.032 0.000 0.950 216 T CB 0.283 69.167 68.868 0.027 0.000 0.955 216 T HN 0.169 nan 8.240 nan 0.000 0.471 217 P HA 0.069 nan 4.420 nan 0.000 0.269 217 P C 0.493 177.807 177.300 0.023 0.000 1.205 217 P CA -0.044 63.067 63.100 0.019 0.000 0.780 217 P CB 0.520 32.228 31.700 0.014 0.000 0.858 218 D N 1.293 121.705 120.400 0.021 0.000 2.234 218 D HA -0.066 4.574 4.640 -0.000 0.000 0.205 218 D C 0.938 177.254 176.300 0.027 0.000 0.962 218 D CA 0.779 54.792 54.000 0.022 0.000 0.855 218 D CB -0.304 40.507 40.800 0.019 0.000 0.951 218 D HN 0.260 nan 8.370 nan 0.000 0.500 219 K N 0.028 120.443 120.400 0.024 0.000 2.146 219 K HA 0.428 4.748 4.320 -0.000 0.000 0.220 219 K C 0.582 177.205 176.600 0.040 0.000 1.227 219 K CA 0.546 56.849 56.287 0.027 0.000 1.185 219 K CB -0.968 31.544 32.500 0.020 0.000 1.333 219 K HN 0.424 nan 8.250 nan 0.000 0.242 220 K N -1.147 119.283 120.400 0.051 0.000 4.259 220 K HA 0.611 4.931 4.320 -0.000 0.000 0.182 220 K C 2.015 178.676 176.600 0.102 0.000 1.151 220 K CA 1.304 57.636 56.287 0.075 0.000 1.809 220 K CB -0.431 32.113 32.500 0.072 0.000 2.506 220 K HN 1.206 nan 8.250 nan 0.000 0.516 221 H N -2.132 117.016 119.070 0.131 0.000 3.794 221 H HA 0.461 5.017 4.556 -0.000 0.000 0.258 221 H C 2.343 177.736 175.328 0.109 0.000 1.120 221 H CA 1.645 57.802 56.048 0.181 0.000 1.166 221 H CB -0.575 29.452 29.762 0.441 0.000 1.517 221 H HN 0.876 nan 8.280 nan 0.000 0.615 222 Q N 0.260 120.120 119.800 0.100 0.000 2.352 222 Q HA -0.314 4.026 4.340 -0.000 0.000 0.218 222 Q C 2.105 178.129 176.000 0.039 0.000 1.037 222 Q CA 5.180 61.026 55.803 0.073 0.000 1.003 222 Q CB -1.699 27.065 28.738 0.044 0.000 1.016 222 Q HN 1.403 nan 8.270 nan 0.000 0.421 223 K N -0.701 119.685 120.400 -0.023 0.000 2.641 223 K HA 0.307 4.627 4.320 -0.000 0.000 0.222 223 K C 0.739 177.233 176.600 -0.178 0.000 1.474 223 K CA 0.293 56.544 56.287 -0.060 0.000 0.873 223 K CB -0.186 32.290 32.500 -0.039 0.000 1.817 223 K HN 0.648 nan 8.250 nan 0.000 0.419 224 E N 2.411 122.490 120.200 -0.202 0.000 3.131 224 E HA -0.068 4.282 4.350 -0.000 0.000 0.258 224 E C -1.678 174.616 176.600 -0.509 0.000 0.901 224 E CA -0.363 55.881 56.400 -0.261 0.000 0.964 224 E CB 0.764 30.356 29.700 -0.179 0.000 0.903 224 E HN 0.379 nan 8.360 nan 0.000 0.537 225 P HA -0.071 nan 4.420 nan 0.000 0.221 225 P C -1.965 175.233 177.300 -0.171 0.000 1.150 225 P CA 0.873 63.832 63.100 -0.235 0.000 0.800 225 P CB -0.650 31.060 31.700 0.016 0.000 0.787 226 P HA 0.111 nan 4.420 nan 0.000 0.231 226 P C -0.402 176.875 177.300 -0.038 0.000 1.811 226 P CA -0.565 62.486 63.100 -0.082 0.000 1.051 226 P CB -0.957 30.807 31.700 0.107 0.000 1.951 227 F N 1.343 121.327 119.950 0.056 0.000 2.518 227 F HA 0.070 4.597 4.527 -0.000 0.000 0.359 227 F C 1.593 177.476 175.800 0.139 0.000 1.118 227 F CA 0.057 58.118 58.000 0.103 0.000 1.287 227 F CB 0.451 39.526 39.000 0.124 0.000 1.132 227 F HN 0.093 nan 8.300 nan 0.000 0.587 228 L N 3.789 125.219 121.223 0.345 0.000 2.475 228 L HA 0.134 4.474 4.340 -0.000 0.000 0.253 228 L C -1.006 176.054 176.870 0.317 0.000 1.137 228 L CA -0.348 54.648 54.840 0.260 0.000 1.058 228 L CB 0.009 42.157 42.059 0.147 0.000 1.382 228 L HN 0.667 nan 8.230 nan 0.000 0.416 229 W N 5.794 127.187 121.300 0.154 0.000 2.342 229 W HA 0.374 5.034 4.660 -0.000 0.000 0.310 229 W C 0.645 177.142 176.519 -0.036 0.000 1.128 229 W CA -0.692 56.722 57.345 0.115 0.000 1.322 229 W CB 0.670 30.259 29.460 0.215 0.000 1.251 229 W HN 0.427 nan 8.180 nan 0.000 0.439 230 M N 6.127 125.527 119.600 -0.334 0.000 2.653 230 M HA -0.253 4.227 4.480 -0.000 0.000 0.203 230 M C 1.347 177.211 176.300 -0.726 0.000 0.502 230 M CA 1.438 56.328 55.300 -0.684 0.000 0.601 230 M CB -1.701 30.163 32.600 -1.227 0.000 2.228 230 M HN 1.094 nan 8.290 nan 0.000 0.711 231 G N -1.210 107.386 108.800 -0.341 0.000 2.168 231 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.263 231 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.263 231 G C -0.443 174.339 174.900 -0.197 0.000 0.977 231 G CA 0.608 45.546 45.100 -0.269 0.000 0.659 231 G HN 0.584 nan 8.290 nan 0.000 0.533 232 Y N 1.543 121.873 120.300 0.049 0.000 2.454 232 Y HA 0.467 5.017 4.550 -0.000 0.000 0.345 232 Y C 0.793 176.808 175.900 0.192 0.000 0.970 232 Y CA -1.735 56.431 58.100 0.110 0.000 1.204 232 Y CB 0.633 39.101 38.460 0.014 0.000 1.122 232 Y HN 0.241 nan 8.280 nan 0.000 0.514 233 E N 4.609 124.992 120.200 0.305 0.000 2.292 233 E HA 0.085 4.435 4.350 -0.000 0.000 0.265 233 E C -0.582 176.057 176.600 0.065 0.000 1.093 233 E CA 0.046 56.513 56.400 0.112 0.000 0.922 233 E CB 0.429 30.109 29.700 -0.034 0.000 1.001 233 E HN 0.551 nan 8.360 nan 0.000 0.444 234 L N 5.326 126.682 121.223 0.223 0.000 2.389 234 L HA 0.200 4.540 4.340 -0.000 0.000 0.265 234 L C 0.156 177.238 176.870 0.353 0.000 1.167 234 L CA -0.349 54.732 54.840 0.402 0.000 1.045 234 L CB -0.737 41.643 42.059 0.534 0.000 1.351 234 L HN 0.494 nan 8.230 nan 0.000 0.419 235 H N 2.642 121.963 119.070 0.418 0.000 2.671 235 H HA 0.080 4.636 4.556 -0.000 0.000 0.372 235 H C -1.181 174.257 175.328 0.184 0.000 1.227 235 H CA -1.270 54.918 56.048 0.233 0.000 1.426 235 H CB 0.387 30.228 29.762 0.132 0.000 1.480 235 H HN 0.290 nan 8.280 nan 0.000 0.611 236 P HA -0.174 nan 4.420 nan 0.000 0.225 236 P C -0.090 177.080 177.300 -0.216 0.000 1.148 236 P CA 1.494 64.589 63.100 -0.008 0.000 0.779 236 P CB 0.535 32.245 31.700 0.016 0.000 0.780 237 D N -1.683 118.624 120.400 -0.154 0.000 2.490 237 D HA 0.110 4.750 4.640 -0.000 0.000 0.246 237 D C 0.325 176.585 176.300 -0.066 0.000 1.196 237 D CA 0.212 54.090 54.000 -0.204 0.000 0.812 237 D CB 0.974 41.719 40.800 -0.091 0.000 1.191 237 D HN 0.187 nan 8.370 nan 0.000 0.531 238 K N 1.707 122.185 120.400 0.129 0.000 2.637 238 K HA 0.176 4.496 4.320 -0.000 0.000 0.248 238 K C -0.974 175.947 176.600 0.536 0.000 0.971 238 K CA -0.758 55.685 56.287 0.260 0.000 0.858 238 K CB 1.318 33.867 32.500 0.081 0.000 1.170 238 K HN -0.080 nan 8.250 nan 0.000 0.443 239 W N 3.185 124.849 121.300 0.607 0.000 2.381 239 W HA 0.520 5.180 4.660 -0.000 0.000 0.329 239 W C -0.647 176.037 176.519 0.275 0.000 1.157 239 W CA -0.585 56.955 57.345 0.325 0.000 1.240 239 W CB 0.858 30.295 29.460 -0.039 0.000 1.199 239 W HN 0.593 nan 8.180 nan 0.000 0.579 240 T N -0.922 114.010 114.554 0.630 0.000 2.812 240 T HA 0.628 4.978 4.350 -0.000 0.000 0.294 240 T C -1.557 173.500 174.700 0.595 0.000 1.159 240 T CA -0.805 61.600 62.100 0.509 0.000 1.008 240 T CB 1.857 70.928 68.868 0.338 0.000 1.289 240 T HN 0.419 nan 8.240 nan 0.000 0.514 241 V N 1.678 121.878 119.914 0.478 0.000 2.488 241 V HA 0.386 4.506 4.120 -0.000 0.000 0.293 241 V C -0.182 176.061 176.094 0.248 0.000 1.027 241 V CA -0.798 61.730 62.300 0.380 0.000 0.862 241 V CB 1.465 33.535 31.823 0.412 0.000 1.008 241 V HN 0.957 nan 8.190 nan 0.000 0.428 242 Q N 6.327 126.238 119.800 0.184 0.000 2.311 242 Q HA 0.183 4.523 4.340 -0.000 0.000 0.272 242 Q C -1.993 174.073 176.000 0.111 0.000 1.012 242 Q CA -1.290 54.596 55.803 0.137 0.000 0.891 242 Q CB 0.816 29.619 28.738 0.108 0.000 1.201 242 Q HN 0.497 nan 8.270 nan 0.000 0.391 243 P HA -0.125 nan 4.420 nan 0.000 0.259 243 P C -0.587 176.752 177.300 0.066 0.000 1.163 243 P CA 0.786 63.937 63.100 0.084 0.000 0.760 243 P CB 0.391 32.136 31.700 0.076 0.000 0.762 244 I N 4.057 124.662 120.570 0.059 0.000 2.436 244 I HA 0.000 4.170 4.170 -0.000 0.000 0.289 244 I C 1.159 177.304 176.117 0.046 0.000 1.083 244 I CA -0.634 60.693 61.300 0.045 0.000 1.372 244 I CB 0.749 38.772 38.000 0.038 0.000 1.408 244 I HN 0.198 nan 8.210 nan 0.000 0.516 245 V N 5.948 125.888 119.914 0.043 0.000 2.637 245 V HA 0.319 4.439 4.120 -0.000 0.000 0.296 245 V C -0.388 175.739 176.094 0.054 0.000 1.046 245 V CA -0.498 61.829 62.300 0.044 0.000 1.066 245 V CB 1.357 33.205 31.823 0.040 0.000 0.968 245 V HN 0.570 nan 8.190 nan 0.000 0.483 246 L N 7.844 129.103 121.223 0.061 0.000 2.427 246 L HA 0.661 5.001 4.340 -0.000 0.000 0.264 246 L C -1.828 175.100 176.870 0.096 0.000 0.989 246 L CA -1.385 53.508 54.840 0.089 0.000 0.865 246 L CB 1.577 43.689 42.059 0.088 0.000 1.209 246 L HN 0.751 nan 8.230 nan 0.000 0.430 247 P HA 0.243 nan 4.420 nan 0.000 0.275 247 P C -1.189 176.130 177.300 0.032 0.000 1.266 247 P CA -0.285 62.871 63.100 0.093 0.000 0.793 247 P CB 0.965 32.747 31.700 0.137 0.000 1.074 248 E N -0.391 119.691 120.200 -0.197 0.000 2.874 248 E HA 0.133 4.483 4.350 -0.000 0.000 0.320 248 E C -0.272 176.020 176.600 -0.513 0.000 1.141 248 E CA -0.458 55.536 56.400 -0.677 0.000 0.774 248 E CB 1.212 30.599 29.700 -0.521 0.000 1.542 248 E HN 0.353 nan 8.360 nan 0.000 0.380 249 K N 1.212 121.359 120.400 -0.421 0.000 2.143 249 K HA 0.063 4.383 4.320 -0.000 0.000 0.239 249 K C 0.019 176.530 176.600 -0.149 0.000 1.048 249 K CA 0.372 56.598 56.287 -0.102 0.000 0.867 249 K CB 0.652 33.268 32.500 0.192 0.000 1.088 249 K HN 0.152 nan 8.250 nan 0.000 0.510 250 D N -0.323 120.058 120.400 -0.032 0.000 2.107 250 D HA -0.102 4.538 4.640 -0.000 0.000 0.204 250 D C 0.270 176.596 176.300 0.045 0.000 0.978 250 D CA 0.954 54.939 54.000 -0.024 0.000 0.852 250 D CB -0.060 40.738 40.800 -0.004 0.000 1.008 250 D HN 0.306 nan 8.370 nan 0.000 0.458 251 S N 0.220 115.977 115.700 0.095 0.000 3.072 251 S HA 0.015 4.485 4.470 -0.000 0.000 0.306 251 S C -0.758 174.002 174.600 0.267 0.000 1.207 251 S CA -0.565 57.714 58.200 0.131 0.000 1.008 251 S CB -0.759 62.490 63.200 0.082 0.000 1.390 251 S HN 0.286 nan 8.310 nan 0.000 0.523 252 W N 5.109 126.401 121.300 -0.013 0.000 2.081 252 W HA 0.253 4.913 4.660 -0.000 0.000 0.433 252 W C 0.755 177.265 176.519 -0.015 0.000 0.876 252 W CA -0.803 56.535 57.345 -0.011 0.000 1.631 252 W CB -0.267 29.189 29.460 -0.008 0.000 1.757 252 W HN 0.685 nan 8.180 nan 0.000 0.298 253 T N 1.213 115.784 114.554 0.028 0.000 2.898 253 T HA 0.287 4.637 4.350 -0.000 0.000 0.301 253 T C 1.443 176.038 174.700 -0.175 0.000 1.049 253 T CA 0.279 62.339 62.100 -0.065 0.000 1.095 253 T CB 1.002 69.836 68.868 -0.056 0.000 0.976 253 T HN 0.404 nan 8.240 nan 0.000 0.539 254 V N 2.459 122.297 119.914 -0.127 0.000 2.219 254 V HA -0.206 3.914 4.120 -0.000 0.000 0.248 254 V C 2.776 178.780 176.094 -0.150 0.000 1.053 254 V CA 3.679 65.903 62.300 -0.126 0.000 1.009 254 V CB -1.861 29.921 31.823 -0.070 0.000 0.636 254 V HN 1.123 nan 8.190 nan 0.000 0.445 255 N N 0.357 118.993 118.700 -0.106 0.000 2.137 255 N HA -0.249 4.491 4.740 -0.000 0.000 0.190 255 N C 1.933 177.350 175.510 -0.154 0.000 1.017 255 N CA 3.673 56.670 53.050 -0.089 0.000 0.859 255 N CB -1.633 36.830 38.487 -0.040 0.000 1.002 255 N HN 0.973 nan 8.380 nan 0.000 0.428 256 D N -0.130 120.141 120.400 -0.214 0.000 2.116 256 D HA 0.064 4.704 4.640 -0.000 0.000 0.193 256 D C 2.339 178.350 176.300 -0.481 0.000 0.998 256 D CA 3.170 56.972 54.000 -0.330 0.000 0.836 256 D CB -1.198 39.356 40.800 -0.409 0.000 0.951 256 D HN 1.026 nan 8.370 nan 0.000 0.449 257 I N 0.282 120.521 120.570 -0.552 0.000 2.335 257 I HA 0.183 4.353 4.170 -0.000 0.000 0.251 257 I C 2.939 178.898 176.117 -0.263 0.000 1.129 257 I CA 3.054 64.049 61.300 -0.509 0.000 1.402 257 I CB -1.853 35.911 38.000 -0.393 0.000 1.069 257 I HN 0.720 nan 8.210 nan 0.000 0.424 258 Q N 0.376 120.062 119.800 -0.190 0.000 2.020 258 Q HA -0.117 4.223 4.340 -0.000 0.000 0.198 258 Q C 2.634 178.575 176.000 -0.098 0.000 0.974 258 Q CA 2.960 58.698 55.803 -0.109 0.000 0.829 258 Q CB -1.322 27.374 28.738 -0.069 0.000 0.894 258 Q HN 0.989 nan 8.270 nan 0.000 0.433 259 K N 0.268 120.603 120.400 -0.108 0.000 2.103 259 K HA 0.201 4.521 4.320 -0.000 0.000 0.207 259 K C 2.614 179.166 176.600 -0.080 0.000 1.048 259 K CA 2.391 58.628 56.287 -0.082 0.000 0.930 259 K CB -1.919 30.534 32.500 -0.079 0.000 0.716 259 K HN 1.232 nan 8.250 nan 0.000 0.444 260 L N 0.701 121.850 121.223 -0.123 0.000 2.043 260 L HA 0.132 4.472 4.340 -0.000 0.000 0.212 260 L C 3.249 180.096 176.870 -0.038 0.000 1.075 260 L CA 3.133 57.924 54.840 -0.082 0.000 0.752 260 L CB -1.961 40.008 42.059 -0.149 0.000 0.891 260 L HN 0.646 nan 8.230 nan 0.000 0.432 261 V N -0.098 119.783 119.914 -0.056 0.000 2.282 261 V HA -0.123 3.997 4.120 -0.000 0.000 0.249 261 V C 2.849 178.929 176.094 -0.024 0.000 1.057 261 V CA 3.537 65.819 62.300 -0.031 0.000 1.032 261 V CB -1.623 30.177 31.823 -0.038 0.000 0.645 261 V HN 0.673 nan 8.190 nan 0.000 0.447 262 G N -0.111 108.668 108.800 -0.034 0.000 2.545 262 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.217 262 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.217 262 G C 1.865 176.750 174.900 -0.024 0.000 1.218 262 G CA 3.161 48.243 45.100 -0.031 0.000 0.787 262 G HN 0.931 nan 8.290 nan 0.000 0.571 263 K N 0.145 120.532 120.400 -0.021 0.000 2.052 263 K HA 0.019 4.339 4.320 -0.000 0.000 0.215 263 K C 3.029 179.627 176.600 -0.004 0.000 1.053 263 K CA 3.270 59.549 56.287 -0.013 0.000 0.934 263 K CB -1.629 30.872 32.500 0.002 0.000 0.717 263 K HN 1.094 nan 8.250 nan 0.000 0.450 264 L N 0.746 121.973 121.223 0.006 0.000 1.956 264 L HA -0.221 4.119 4.340 -0.000 0.000 0.216 264 L C 2.861 179.735 176.870 0.007 0.000 1.073 264 L CA 3.987 58.836 54.840 0.015 0.000 0.762 264 L CB -2.465 39.606 42.059 0.021 0.000 0.889 264 L HN 0.903 nan 8.230 nan 0.000 0.433 265 N N -1.488 117.211 118.700 -0.002 0.000 2.149 265 N HA -0.249 4.491 4.740 -0.000 0.000 0.188 265 N C 2.317 177.819 175.510 -0.014 0.000 1.019 265 N CA 4.073 57.118 53.050 -0.008 0.000 0.857 265 N CB -1.423 37.055 38.487 -0.016 0.000 0.997 265 N HN 1.437 nan 8.380 nan 0.000 0.426 266 W N -0.099 121.187 121.300 -0.023 0.000 2.378 266 W HA 0.390 5.050 4.660 -0.000 0.000 0.313 266 W C 3.049 179.545 176.519 -0.038 0.000 1.197 266 W CA 2.343 59.662 57.345 -0.044 0.000 1.304 266 W CB -1.126 28.297 29.460 -0.062 0.000 1.148 266 W HN 0.736 nan 8.180 nan 0.000 0.494 267 A N 0.844 123.654 122.820 -0.017 0.000 1.940 267 A HA 0.007 4.327 4.320 -0.000 0.000 0.219 267 A C 2.429 180.036 177.584 0.037 0.000 1.176 267 A CA 3.682 55.728 52.037 0.014 0.000 0.631 267 A CB -1.387 17.631 19.000 0.029 0.000 0.814 267 A HN 1.362 nan 8.150 nan 0.000 0.446 268 S N -1.303 114.413 115.700 0.026 0.000 2.413 268 S HA -0.191 4.279 4.470 -0.000 0.000 0.237 268 S C 1.996 176.622 174.600 0.043 0.000 1.044 268 S CA 2.577 60.797 58.200 0.033 0.000 1.024 268 S CB -0.870 62.341 63.200 0.018 0.000 0.829 268 S HN 1.078 nan 8.310 nan 0.000 0.475 269 Q N -0.688 119.133 119.800 0.036 0.000 2.431 269 Q HA 0.619 4.959 4.340 -0.000 0.000 0.210 269 Q C 1.537 177.602 176.000 0.108 0.000 0.958 269 Q CA 1.230 57.061 55.803 0.047 0.000 0.957 269 Q CB -1.366 27.381 28.738 0.014 0.000 1.007 269 Q HN 1.508 nan 8.270 nan 0.000 0.511 270 I N -4.276 116.366 120.570 0.120 0.000 3.859 270 I HA 0.537 4.707 4.170 -0.000 0.000 0.266 270 I C 1.370 177.570 176.117 0.138 0.000 1.132 270 I CA 0.490 61.893 61.300 0.171 0.000 1.361 270 I CB -0.522 37.592 38.000 0.190 0.000 1.690 270 I HN 0.744 nan 8.210 nan 0.000 0.424 271 Y N 1.190 121.556 120.300 0.110 0.000 2.584 271 Y HA 0.613 5.163 4.550 -0.000 0.000 0.351 271 Y C -1.316 174.630 175.900 0.077 0.000 1.030 271 Y CA -2.493 55.660 58.100 0.089 0.000 1.332 271 Y CB -1.402 37.103 38.460 0.076 0.000 1.148 271 Y HN 0.643 nan 8.280 nan 0.000 0.528 272 P HA 0.441 nan 4.420 nan 0.000 0.260 272 P C 0.823 178.159 177.300 0.060 0.000 1.207 272 P CA 0.796 63.943 63.100 0.079 0.000 0.780 272 P CB -0.576 31.176 31.700 0.086 0.000 0.789 273 G N 1.004 109.835 108.800 0.052 0.000 3.295 273 G HA2 0.213 4.173 3.960 -0.000 0.000 0.627 273 G HA3 0.213 4.173 3.960 -0.000 0.000 0.627 273 G C 0.402 175.324 174.900 0.037 0.000 0.847 273 G CA 0.037 45.160 45.100 0.038 0.000 0.907 273 G HN 1.600 nan 8.290 nan 0.000 0.502 274 I N -0.378 120.211 120.570 0.032 0.000 5.001 274 I HA 0.847 5.017 4.170 -0.000 0.000 0.386 274 I C 1.602 177.736 176.117 0.028 0.000 1.130 274 I CA 1.152 62.471 61.300 0.033 0.000 1.476 274 I CB -1.270 36.751 38.000 0.035 0.000 2.107 274 I HN 2.256 nan 8.210 nan 0.000 0.683 275 K N 1.447 121.861 120.400 0.023 0.000 2.325 275 K HA 0.484 4.804 4.320 -0.000 0.000 0.258 275 K C 0.657 177.269 176.600 0.021 0.000 1.250 275 K CA 0.913 57.210 56.287 0.018 0.000 1.260 275 K CB -1.766 30.742 32.500 0.013 0.000 0.785 275 K HN 2.122 nan 8.250 nan 0.000 0.501 276 V N 2.599 122.527 119.914 0.024 0.000 3.102 276 V HA 0.315 4.435 4.120 -0.000 0.000 0.371 276 V C 2.235 178.343 176.094 0.023 0.000 1.414 276 V CA 1.263 63.581 62.300 0.030 0.000 1.565 276 V CB -1.589 30.257 31.823 0.039 0.000 1.273 276 V HN 1.085 nan 8.190 nan 0.000 0.478 277 R N 0.185 120.696 120.500 0.018 0.000 2.119 277 R HA -0.197 4.143 4.340 -0.000 0.000 0.246 277 R C 2.154 178.464 176.300 0.016 0.000 1.146 277 R CA 2.828 58.936 56.100 0.014 0.000 0.962 277 R CB -1.385 28.922 30.300 0.012 0.000 0.863 277 R HN 1.282 nan 8.270 nan 0.000 0.442 278 Q N -0.581 119.231 119.800 0.021 0.000 2.311 278 Q HA 0.487 4.827 4.340 -0.000 0.000 0.203 278 Q C 2.720 178.737 176.000 0.028 0.000 0.954 278 Q CA 1.656 57.473 55.803 0.023 0.000 0.885 278 Q CB -0.838 27.916 28.738 0.025 0.000 0.963 278 Q HN 1.113 nan 8.270 nan 0.000 0.471 279 L N -0.990 120.253 121.223 0.033 0.000 2.179 279 L HA 0.158 4.498 4.340 -0.000 0.000 0.208 279 L C 3.000 179.881 176.870 0.017 0.000 1.096 279 L CA 1.892 56.754 54.840 0.038 0.000 0.779 279 L CB -2.137 39.953 42.059 0.052 0.000 0.922 279 L HN 0.898 nan 8.230 nan 0.000 0.443 280 C N 0.390 119.698 119.300 0.012 0.000 2.410 280 C HA 0.081 4.541 4.460 -0.000 0.000 0.281 280 C C 3.193 178.186 174.990 0.006 0.000 1.318 280 C CA 2.604 61.624 59.018 0.003 0.000 1.776 280 C CB -1.273 26.469 27.740 0.003 0.000 1.942 280 C HN 0.716 nan 8.230 nan 0.000 0.508 281 K N -0.082 120.325 120.400 0.012 0.000 2.209 281 K HA 0.234 4.554 4.320 -0.000 0.000 0.204 281 K C 2.218 178.827 176.600 0.014 0.000 1.048 281 K CA 2.198 58.493 56.287 0.014 0.000 0.940 281 K CB -1.784 30.726 32.500 0.017 0.000 0.729 281 K HN 1.453 nan 8.250 nan 0.000 0.451 282 L N -0.104 121.127 121.223 0.013 0.000 2.275 282 L HA 0.437 4.777 4.340 -0.000 0.000 0.215 282 L C 3.078 179.949 176.870 0.003 0.000 1.119 282 L CA 2.260 57.107 54.840 0.011 0.000 0.790 282 L CB -1.683 40.383 42.059 0.013 0.000 0.919 282 L HN 0.722 nan 8.230 nan 0.000 0.443 283 L N -1.314 119.908 121.223 -0.001 0.000 2.558 283 L HA 0.501 4.841 4.340 -0.000 0.000 0.225 283 L C 2.797 179.674 176.870 0.010 0.000 1.128 283 L CA 1.436 56.275 54.840 -0.001 0.000 0.868 283 L CB -1.964 40.090 42.059 -0.009 0.000 1.006 283 L HN 0.754 nan 8.230 nan 0.000 0.454 284 R N 0.569 121.076 120.500 0.012 0.000 2.319 284 R HA 0.484 4.824 4.340 -0.000 0.000 0.204 284 R C 1.267 177.580 176.300 0.020 0.000 0.954 284 R CA 0.677 56.787 56.100 0.017 0.000 1.066 284 R CB -0.751 29.558 30.300 0.015 0.000 0.991 284 R HN 1.232 nan 8.270 nan 0.000 0.486 285 G N -0.293 108.519 108.800 0.020 0.000 4.412 285 G HA2 0.474 4.434 3.960 -0.000 0.000 0.262 285 G HA3 0.474 4.434 3.960 -0.000 0.000 0.262 285 G C 0.265 175.180 174.900 0.024 0.000 1.142 285 G CA 0.429 45.543 45.100 0.023 0.000 0.783 285 G HN 0.707 nan 8.290 nan 0.000 0.533 286 T N -0.550 114.023 114.554 0.032 0.000 2.860 286 T HA 0.773 5.123 4.350 -0.000 0.000 0.299 286 T C 0.433 175.162 174.700 0.048 0.000 1.045 286 T CA 1.046 63.168 62.100 0.038 0.000 1.071 286 T CB 0.637 69.535 68.868 0.051 0.000 0.985 286 T HN 1.077 nan 8.240 nan 0.000 0.537 287 K N -0.274 120.156 120.400 0.049 0.000 2.308 287 K HA 0.950 5.270 4.320 -0.000 0.000 0.268 287 K C 0.155 176.802 176.600 0.079 0.000 0.992 287 K CA -0.046 56.276 56.287 0.059 0.000 0.836 287 K CB 0.166 32.678 32.500 0.020 0.000 1.507 287 K HN 1.947 nan 8.250 nan 0.000 0.394 288 A N -0.135 122.733 122.820 0.080 0.000 2.603 288 A HA 0.450 4.770 4.320 -0.000 0.000 0.235 288 A C 1.879 179.456 177.584 -0.012 0.000 1.035 288 A CA 0.828 52.921 52.037 0.094 0.000 0.755 288 A CB -1.069 17.926 19.000 -0.009 0.000 0.954 288 A HN 2.112 nan 8.150 nan 0.000 0.511 289 L N 1.976 123.197 121.223 -0.004 0.000 2.201 289 L HA 0.139 4.479 4.340 -0.000 0.000 0.212 289 L C 2.628 179.379 176.870 -0.199 0.000 1.105 289 L CA 3.111 57.926 54.840 -0.042 0.000 0.775 289 L CB -2.330 39.800 42.059 0.119 0.000 0.913 289 L HN 1.211 nan 8.230 nan 0.000 0.440 290 T N -1.206 113.096 114.554 -0.421 0.000 3.088 290 T HA 0.427 4.777 4.350 -0.000 0.000 0.259 290 T C 1.069 175.644 174.700 -0.208 0.000 1.122 290 T CA 0.999 62.871 62.100 -0.380 0.000 1.095 290 T CB -0.594 67.920 68.868 -0.591 0.000 0.930 290 T HN 0.964 nan 8.240 nan 0.000 0.508 291 E N 0.222 120.322 120.200 -0.166 0.000 2.366 291 E HA 0.698 5.048 4.350 -0.000 0.000 0.266 291 E C -0.044 176.518 176.600 -0.065 0.000 1.051 291 E CA -0.112 56.225 56.400 -0.105 0.000 0.884 291 E CB 0.222 29.866 29.700 -0.092 0.000 1.006 291 E HN 1.012 nan 8.360 nan 0.000 0.417 292 V N -0.612 119.282 119.914 -0.033 0.000 2.481 292 V HA 0.809 4.929 4.120 -0.000 0.000 0.286 292 V C 0.362 176.468 176.094 0.019 0.000 1.042 292 V CA 0.080 62.385 62.300 0.008 0.000 0.928 292 V CB 0.867 32.711 31.823 0.035 0.000 0.986 292 V HN 1.737 nan 8.190 nan 0.000 0.462 293 I N 3.278 123.873 120.570 0.042 0.000 2.622 293 I HA 0.849 5.019 4.170 -0.000 0.000 0.283 293 I C -1.375 174.795 176.117 0.089 0.000 1.202 293 I CA -0.683 60.644 61.300 0.044 0.000 1.075 293 I CB 0.439 38.448 38.000 0.014 0.000 1.274 293 I HN 1.118 nan 8.210 nan 0.000 0.450 294 P HA 1.120 nan 4.420 nan 0.000 0.289 294 P C -0.439 176.919 177.300 0.098 0.000 1.301 294 P CA 0.471 63.661 63.100 0.149 0.000 0.787 294 P CB 1.511 33.278 31.700 0.112 0.000 1.224 295 L N -2.180 119.102 121.223 0.097 0.000 2.479 295 L HA 0.962 5.302 4.340 -0.000 0.000 0.255 295 L C 0.943 177.844 176.870 0.051 0.000 1.026 295 L CA -0.081 54.799 54.840 0.067 0.000 0.842 295 L CB 0.513 42.614 42.059 0.071 0.000 1.444 295 L HN 1.121 nan 8.230 nan 0.000 0.409 296 T N -0.802 113.774 114.554 0.037 0.000 2.732 296 T HA 0.487 4.837 4.350 -0.000 0.000 0.365 296 T C 1.567 176.282 174.700 0.026 0.000 1.077 296 T CA 1.949 64.065 62.100 0.026 0.000 1.044 296 T CB -0.446 68.435 68.868 0.021 0.000 1.220 296 T HN 2.138 nan 8.240 nan 0.000 0.517 297 E N -0.215 119.996 120.200 0.018 0.000 2.233 297 E HA -0.036 4.314 4.350 -0.000 0.000 0.199 297 E C 2.280 178.893 176.600 0.023 0.000 1.004 297 E CA 2.668 59.078 56.400 0.016 0.000 0.819 297 E CB -1.924 27.784 29.700 0.012 0.000 0.738 297 E HN 0.973 nan 8.360 nan 0.000 0.478 298 E N 0.339 120.555 120.200 0.026 0.000 2.021 298 E HA 0.019 4.369 4.350 -0.000 0.000 0.200 298 E C 2.623 179.248 176.600 0.043 0.000 1.015 298 E CA 2.591 59.010 56.400 0.031 0.000 0.824 298 E CB -1.220 28.498 29.700 0.031 0.000 0.762 298 E HN 1.069 nan 8.360 nan 0.000 0.454 299 A N 1.016 123.868 122.820 0.054 0.000 1.834 299 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 299 A C 2.245 179.873 177.584 0.073 0.000 1.203 299 A CA 2.140 54.227 52.037 0.083 0.000 0.621 299 A CB -0.727 18.337 19.000 0.108 0.000 0.841 299 A HN 0.613 nan 8.150 nan 0.000 0.446 300 E N -0.203 120.024 120.200 0.045 0.000 2.068 300 E HA -0.251 4.099 4.350 -0.000 0.000 0.207 300 E C 2.009 178.619 176.600 0.016 0.000 1.032 300 E CA 1.675 58.084 56.400 0.014 0.000 0.839 300 E CB -0.472 29.225 29.700 -0.004 0.000 0.758 300 E HN 0.622 nan 8.360 nan 0.000 0.457 301 L N 0.784 122.019 121.223 0.020 0.000 2.093 301 L HA -0.173 4.167 4.340 -0.000 0.000 0.208 301 L C 2.397 179.284 176.870 0.028 0.000 1.085 301 L CA 1.059 55.911 54.840 0.019 0.000 0.755 301 L CB -0.474 41.595 42.059 0.016 0.000 0.904 301 L HN 0.154 nan 8.230 nan 0.000 0.435 302 E N 0.491 120.714 120.200 0.038 0.000 2.070 302 E HA -0.246 4.104 4.350 -0.000 0.000 0.197 302 E C 2.338 178.968 176.600 0.051 0.000 1.004 302 E CA 1.261 57.688 56.400 0.045 0.000 0.805 302 E CB -0.237 29.494 29.700 0.052 0.000 0.744 302 E HN 0.451 nan 8.360 nan 0.000 0.451 303 L N 0.622 121.884 121.223 0.065 0.000 2.043 303 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 303 L C 2.638 179.535 176.870 0.046 0.000 1.075 303 L CA 1.111 55.993 54.840 0.071 0.000 0.752 303 L CB -0.686 41.425 42.059 0.086 0.000 0.891 303 L HN 0.174 nan 8.230 nan 0.000 0.432 304 A N 0.335 123.172 122.820 0.029 0.000 1.851 304 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 304 A C 2.143 179.742 177.584 0.025 0.000 1.195 304 A CA 1.892 53.941 52.037 0.020 0.000 0.622 304 A CB -0.631 18.376 19.000 0.011 0.000 0.831 304 A HN 0.470 nan 8.150 nan 0.000 0.444 305 E N -0.040 120.176 120.200 0.026 0.000 2.130 305 E HA -0.230 4.120 4.350 -0.000 0.000 0.196 305 E C 1.837 178.456 176.600 0.032 0.000 0.998 305 E CA 1.311 57.727 56.400 0.027 0.000 0.806 305 E CB -0.298 29.417 29.700 0.026 0.000 0.738 305 E HN 0.595 nan 8.360 nan 0.000 0.459 306 N N 0.851 119.574 118.700 0.037 0.000 2.084 306 N HA -0.121 4.619 4.740 -0.000 0.000 0.190 306 N C 1.665 177.200 175.510 0.042 0.000 1.030 306 N CA 1.031 54.105 53.050 0.042 0.000 0.849 306 N CB -0.290 38.226 38.487 0.049 0.000 1.012 306 N HN 0.126 nan 8.380 nan 0.000 0.423 307 R N 1.135 121.659 120.500 0.040 0.000 2.097 307 R HA -0.127 4.213 4.340 -0.000 0.000 0.236 307 R C 2.026 178.347 176.300 0.035 0.000 1.135 307 R CA 1.560 57.682 56.100 0.037 0.000 0.934 307 R CB -0.428 29.890 30.300 0.030 0.000 0.846 307 R HN 0.443 nan 8.270 nan 0.000 0.431 308 E N 0.470 120.688 120.200 0.030 0.000 2.108 308 E HA -0.267 4.083 4.350 -0.000 0.000 0.203 308 E C 2.055 178.675 176.600 0.034 0.000 1.022 308 E CA 1.844 58.261 56.400 0.029 0.000 0.823 308 E CB -0.344 29.371 29.700 0.026 0.000 0.744 308 E HN 0.405 nan 8.360 nan 0.000 0.456 309 I N 0.756 121.348 120.570 0.037 0.000 2.202 309 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 309 I C 2.424 178.570 176.117 0.048 0.000 1.091 309 I CA 0.918 62.244 61.300 0.043 0.000 1.368 309 I CB -0.301 37.726 38.000 0.045 0.000 1.058 309 I HN 0.095 nan 8.210 nan 0.000 0.410 310 L N 0.689 121.941 121.223 0.049 0.000 2.261 310 L HA -0.205 4.135 4.340 -0.000 0.000 0.216 310 L C 2.513 179.416 176.870 0.054 0.000 1.114 310 L CA 1.248 56.120 54.840 0.054 0.000 0.777 310 L CB -0.564 41.525 42.059 0.051 0.000 0.910 310 L HN 0.247 nan 8.230 nan 0.000 0.440 311 K N 0.377 120.806 120.400 0.047 0.000 1.973 311 K HA -0.175 4.145 4.320 -0.000 0.000 0.212 311 K C 0.976 177.608 176.600 0.053 0.000 1.047 311 K CA 0.929 57.244 56.287 0.046 0.000 0.937 311 K CB -0.179 32.343 32.500 0.037 0.000 0.721 311 K HN 0.200 nan 8.250 nan 0.000 0.440 312 E N 2.918 123.148 120.200 0.050 0.000 2.265 312 E HA 0.029 4.379 4.350 -0.000 0.000 0.272 312 E C -2.119 174.521 176.600 0.066 0.000 1.067 312 E CA -1.865 54.566 56.400 0.053 0.000 0.900 312 E CB 0.562 30.286 29.700 0.040 0.000 1.017 312 E HN 0.043 nan 8.360 nan 0.000 0.431 313 P HA -0.030 nan 4.420 nan 0.000 0.274 313 P C -0.556 176.798 177.300 0.090 0.000 1.264 313 P CA -0.198 62.973 63.100 0.119 0.000 0.795 313 P CB 0.732 32.524 31.700 0.155 0.000 1.064 314 V N -4.057 115.935 119.914 0.130 0.000 3.181 314 V HA 0.816 4.936 4.120 -0.000 0.000 0.308 314 V C -0.852 175.249 176.094 0.013 0.000 1.214 314 V CA -0.723 61.581 62.300 0.008 0.000 1.053 314 V CB 2.029 33.945 31.823 0.156 0.000 1.069 314 V HN 1.109 nan 8.190 nan 0.000 0.441 315 H N -0.282 118.660 119.070 -0.214 0.000 2.901 315 H HA 0.730 5.286 4.556 -0.000 0.000 0.267 315 H C -0.567 174.136 175.328 -1.042 0.000 1.434 315 H CA -0.329 55.224 56.048 -0.825 0.000 1.215 315 H CB 1.063 30.590 29.762 -0.393 0.000 1.825 315 H HN 1.678 nan 8.280 nan 0.000 0.470 316 G N -0.124 107.817 108.800 -1.431 0.000 2.554 316 G HA2 0.481 4.441 3.960 -0.000 0.000 0.306 316 G HA3 0.481 4.441 3.960 -0.000 0.000 0.306 316 G C -1.203 173.439 174.900 -0.431 0.000 1.320 316 G CA -0.173 44.537 45.100 -0.651 0.000 0.800 316 G HN 0.515 nan 8.290 nan 0.000 0.481 317 V N -0.367 119.580 119.914 0.055 0.000 3.234 317 V HA 0.565 4.685 4.120 -0.000 0.000 0.317 317 V C -0.119 176.356 176.094 0.635 0.000 1.081 317 V CA -0.833 61.625 62.300 0.263 0.000 1.037 317 V CB 1.066 32.995 31.823 0.176 0.000 1.148 317 V HN 0.572 nan 8.190 nan 0.000 0.453 318 Y N -0.372 120.112 120.300 0.306 0.000 2.356 318 Y HA 0.436 4.986 4.550 -0.000 0.000 0.341 318 Y C -0.085 176.012 175.900 0.328 0.000 1.343 318 Y CA -1.299 57.033 58.100 0.386 0.000 1.570 318 Y CB 0.165 38.821 38.460 0.326 0.000 1.558 318 Y HN 0.592 nan 8.280 nan 0.000 0.557 319 Y N 0.741 121.281 120.300 0.400 0.000 2.387 319 Y HA 0.381 4.931 4.550 -0.000 0.000 0.336 319 Y C -0.939 175.055 175.900 0.156 0.000 1.067 319 Y CA -1.302 56.928 58.100 0.217 0.000 1.114 319 Y CB 1.236 39.871 38.460 0.292 0.000 1.208 319 Y HN 0.537 nan 8.280 nan 0.000 0.458 320 D N 7.308 127.410 120.400 -0.496 0.000 2.381 320 D HA 0.307 4.947 4.640 -0.000 0.000 0.235 320 D C -2.389 173.490 176.300 -0.701 0.000 1.068 320 D CA -2.714 51.054 54.000 -0.386 0.000 0.832 320 D CB 1.873 42.522 40.800 -0.251 0.000 1.101 320 D HN 0.370 nan 8.370 nan 0.000 0.515 321 P HA 0.044 nan 4.420 nan 0.000 0.259 321 P C 0.045 177.351 177.300 0.010 0.000 1.480 321 P CA 0.199 63.373 63.100 0.122 0.000 0.842 321 P CB -0.089 31.799 31.700 0.313 0.000 1.513 322 S N -2.604 113.032 115.700 -0.106 0.000 2.733 322 S HA 0.232 4.702 4.470 -0.000 0.000 0.270 322 S C 0.405 174.947 174.600 -0.097 0.000 1.062 322 S CA -0.410 57.752 58.200 -0.062 0.000 1.256 322 S CB 0.142 63.322 63.200 -0.033 0.000 1.187 322 S HN -0.001 nan 8.310 nan 0.000 0.666 323 K N 1.986 122.279 120.400 -0.178 0.000 2.207 323 K HA 0.471 4.791 4.320 -0.000 0.000 0.255 323 K C -1.250 175.242 176.600 -0.179 0.000 0.941 323 K CA -0.786 55.405 56.287 -0.160 0.000 0.825 323 K CB 0.968 33.369 32.500 -0.165 0.000 1.119 323 K HN 0.137 nan 8.250 nan 0.000 0.430 324 D N 1.775 122.110 120.400 -0.108 0.000 2.400 324 D HA 0.039 4.679 4.640 -0.000 0.000 0.238 324 D C -0.081 176.153 176.300 -0.109 0.000 1.157 324 D CA 0.283 54.234 54.000 -0.082 0.000 0.889 324 D CB 0.715 41.490 40.800 -0.041 0.000 1.199 324 D HN 0.200 nan 8.370 nan 0.000 0.436 325 L N 1.768 122.929 121.223 -0.104 0.000 2.307 325 L HA 0.435 4.775 4.340 -0.000 0.000 0.282 325 L C -0.004 176.768 176.870 -0.162 0.000 1.051 325 L CA -0.361 54.381 54.840 -0.163 0.000 0.804 325 L CB 0.878 42.841 42.059 -0.160 0.000 1.197 325 L HN 0.156 nan 8.230 nan 0.000 0.431 326 I N 2.931 123.377 120.570 -0.207 0.000 2.534 326 I HA 0.545 4.715 4.170 -0.000 0.000 0.288 326 I C -0.396 175.375 176.117 -0.576 0.000 1.077 326 I CA -0.460 60.668 61.300 -0.286 0.000 1.051 326 I CB 2.040 40.074 38.000 0.056 0.000 1.234 326 I HN 0.607 nan 8.210 nan 0.000 0.425 327 A N 5.225 127.704 122.820 -0.568 0.000 2.324 327 A HA 0.765 5.085 4.320 -0.000 0.000 0.330 327 A C -0.720 176.675 177.584 -0.316 0.000 1.165 327 A CA -0.427 51.310 52.037 -0.500 0.000 0.813 327 A CB 1.463 20.036 19.000 -0.712 0.000 1.197 327 A HN 0.763 nan 8.150 nan 0.000 0.484 328 E N 2.106 122.199 120.200 -0.179 0.000 2.260 328 E HA 0.570 4.920 4.350 -0.000 0.000 0.266 328 E C -1.504 175.162 176.600 0.110 0.000 0.887 328 E CA -0.345 56.039 56.400 -0.027 0.000 0.777 328 E CB 1.172 30.802 29.700 -0.117 0.000 1.205 328 E HN 0.644 nan 8.360 nan 0.000 0.414 329 I N 2.774 123.463 120.570 0.199 0.000 2.648 329 I HA 0.413 4.583 4.170 -0.000 0.000 0.304 329 I C -0.684 175.563 176.117 0.217 0.000 1.009 329 I CA -0.920 60.539 61.300 0.265 0.000 1.114 329 I CB 1.894 40.074 38.000 0.300 0.000 1.293 329 I HN 0.455 nan 8.210 nan 0.000 0.449 330 Q N 2.849 122.767 119.800 0.196 0.000 2.309 330 Q HA 0.270 4.610 4.340 -0.000 0.000 0.273 330 Q C -0.820 175.114 176.000 -0.109 0.000 1.040 330 Q CA -0.819 55.017 55.803 0.054 0.000 0.834 330 Q CB 2.174 30.930 28.738 0.029 0.000 1.345 330 Q HN 0.361 nan 8.270 nan 0.000 0.414 331 K N 1.838 122.011 120.400 -0.378 0.000 2.278 331 K HA 0.026 4.346 4.320 -0.000 0.000 0.237 331 K C -0.050 176.257 176.600 -0.488 0.000 1.229 331 K CA 0.141 55.904 56.287 -0.873 0.000 1.155 331 K CB 0.270 32.143 32.500 -1.045 0.000 1.590 331 K HN 0.646 nan 8.250 nan 0.000 0.290 332 Q N 1.997 121.612 119.800 -0.308 0.000 2.294 332 Q HA 0.047 4.387 4.340 -0.000 0.000 0.222 332 Q C -0.154 175.754 176.000 -0.153 0.000 0.903 332 Q CA 0.147 55.854 55.803 -0.160 0.000 0.966 332 Q CB -0.015 28.687 28.738 -0.059 0.000 1.091 332 Q HN 0.877 nan 8.270 nan 0.000 0.438 333 G N -0.342 108.319 108.800 -0.232 0.000 2.346 333 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.294 333 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.294 333 G C -1.702 173.112 174.900 -0.144 0.000 1.294 333 G CA -1.032 43.983 45.100 -0.142 0.000 0.962 333 G HN 0.129 nan 8.290 nan 0.000 0.508 334 Q N 0.460 120.232 119.800 -0.046 0.000 2.293 334 Q HA 0.457 4.797 4.340 -0.000 0.000 0.263 334 Q C 1.345 177.381 176.000 0.059 0.000 1.002 334 Q CA 0.826 56.634 55.803 0.009 0.000 0.910 334 Q CB 0.765 29.518 28.738 0.024 0.000 1.185 334 Q HN 2.330 nan 8.270 nan 0.000 0.401 335 G N 3.237 112.133 108.800 0.161 0.000 2.186 335 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.266 335 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.266 335 G C 0.031 175.078 174.900 0.246 0.000 0.982 335 G CA 0.557 45.788 45.100 0.218 0.000 0.670 335 G HN 0.558 nan 8.290 nan 0.000 0.533 336 Q N -1.507 118.449 119.800 0.259 0.000 2.323 336 Q HA 0.604 4.944 4.340 -0.000 0.000 0.271 336 Q C -0.982 175.178 176.000 0.267 0.000 1.048 336 Q CA -0.874 55.082 55.803 0.256 0.000 0.792 336 Q CB 1.649 30.445 28.738 0.095 0.000 1.280 336 Q HN 0.293 nan 8.270 nan 0.000 0.441 337 W N 0.654 122.022 121.300 0.114 0.000 2.929 337 W HA 0.652 5.312 4.660 -0.000 0.000 0.345 337 W C -0.173 176.472 176.519 0.211 0.000 1.151 337 W CA -0.487 56.960 57.345 0.170 0.000 1.111 337 W CB 1.512 31.122 29.460 0.250 0.000 1.449 337 W HN 0.548 nan 8.180 nan 0.000 0.572 338 T N -0.907 113.885 114.554 0.396 0.000 2.896 338 T HA 0.822 5.172 4.350 -0.000 0.000 0.297 338 T C -1.419 173.511 174.700 0.384 0.000 1.108 338 T CA -0.779 61.516 62.100 0.325 0.000 1.004 338 T CB 2.272 71.226 68.868 0.143 0.000 1.159 338 T HN 0.610 nan 8.240 nan 0.000 0.499 339 Y N -1.132 119.231 120.300 0.106 0.000 2.624 339 Y HA 0.797 5.347 4.550 -0.000 0.000 0.334 339 Y C -1.942 173.961 175.900 0.005 0.000 1.155 339 Y CA -1.373 56.761 58.100 0.056 0.000 1.046 339 Y CB 1.186 39.683 38.460 0.063 0.000 1.316 339 Y HN 0.703 nan 8.280 nan 0.000 0.457 340 Q N 2.823 122.554 119.800 -0.115 0.000 2.345 340 Q HA 0.659 4.999 4.340 -0.000 0.000 0.275 340 Q C -1.282 174.563 176.000 -0.258 0.000 1.063 340 Q CA -0.714 54.937 55.803 -0.255 0.000 0.819 340 Q CB 3.218 31.842 28.738 -0.190 0.000 1.356 340 Q HN 0.831 nan 8.270 nan 0.000 0.418 341 I N -0.339 120.113 120.570 -0.196 0.000 2.382 341 I HA 0.773 4.943 4.170 -0.000 0.000 0.286 341 I C -1.112 174.871 176.117 -0.224 0.000 1.002 341 I CA -1.048 60.109 61.300 -0.238 0.000 1.135 341 I CB 0.480 38.471 38.000 -0.016 0.000 1.288 341 I HN 0.556 nan 8.210 nan 0.000 0.448 342 Y N 3.698 123.914 120.300 -0.140 0.000 2.665 342 Y HA 0.612 5.162 4.550 -0.000 0.000 0.336 342 Y C -0.092 175.693 175.900 -0.191 0.000 1.085 342 Y CA -1.736 56.275 58.100 -0.148 0.000 1.096 342 Y CB 1.097 39.481 38.460 -0.127 0.000 1.301 342 Y HN 0.612 nan 8.280 nan 0.000 0.493 343 Q N -0.754 119.150 119.800 0.174 0.000 2.313 343 Q HA 0.260 4.600 4.340 -0.000 0.000 0.263 343 Q C -0.900 175.047 176.000 -0.088 0.000 0.820 343 Q CA 0.140 55.949 55.803 0.010 0.000 0.974 343 Q CB 1.423 30.080 28.738 -0.135 0.000 1.156 343 Q HN 0.615 nan 8.270 nan 0.000 0.517 344 E N 1.213 121.328 120.200 -0.142 0.000 2.244 344 E HA 0.173 4.523 4.350 -0.000 0.000 0.260 344 E C -2.140 174.252 176.600 -0.346 0.000 0.884 344 E CA -1.792 54.483 56.400 -0.209 0.000 0.777 344 E CB 1.842 31.486 29.700 -0.092 0.000 1.197 344 E HN -0.092 nan 8.360 nan 0.000 0.416 345 P HA -0.281 nan 4.420 nan 0.000 0.225 345 P C 0.813 177.666 177.300 -0.745 0.000 0.859 345 P CA 2.043 64.701 63.100 -0.735 0.000 1.075 345 P CB -0.169 31.304 31.700 -0.378 0.000 0.699 346 F N -1.461 118.388 119.950 -0.167 0.000 2.727 346 F HA 0.198 4.725 4.527 -0.000 0.000 0.302 346 F C 1.274 177.054 175.800 -0.034 0.000 1.097 346 F CA 0.273 58.229 58.000 -0.074 0.000 1.330 346 F CB -0.082 38.884 39.000 -0.056 0.000 1.084 346 F HN -0.244 nan 8.300 nan 0.000 0.578 347 K N 2.245 122.682 120.400 0.061 0.000 2.459 347 K HA 0.222 4.542 4.320 -0.000 0.000 0.218 347 K C -0.645 175.999 176.600 0.073 0.000 1.067 347 K CA -0.242 56.081 56.287 0.060 0.000 1.045 347 K CB -0.076 32.447 32.500 0.039 0.000 1.623 347 K HN 0.181 nan 8.250 nan 0.000 0.509 348 N N 0.918 119.682 118.700 0.106 0.000 2.495 348 N HA 0.242 4.982 4.740 -0.000 0.000 0.280 348 N C 0.771 176.359 175.510 0.130 0.000 1.168 348 N CA -0.588 52.548 53.050 0.142 0.000 0.978 348 N CB 1.052 39.620 38.487 0.135 0.000 1.191 348 N HN 0.095 nan 8.380 nan 0.000 0.497 349 L N -1.084 120.230 121.223 0.152 0.000 2.187 349 L HA 0.260 4.600 4.340 -0.000 0.000 0.197 349 L C 0.997 178.135 176.870 0.445 0.000 1.090 349 L CA 0.656 55.696 54.840 0.333 0.000 0.781 349 L CB -0.222 41.968 42.059 0.218 0.000 0.956 349 L HN 0.571 nan 8.230 nan 0.000 0.463 350 K N 0.333 120.907 120.400 0.290 0.000 2.378 350 K HA 0.354 4.674 4.320 -0.000 0.000 0.252 350 K C -0.833 175.748 176.600 -0.033 0.000 0.931 350 K CA -0.450 55.964 56.287 0.213 0.000 0.794 350 K CB 1.923 34.520 32.500 0.161 0.000 1.181 350 K HN 0.125 nan 8.250 nan 0.000 0.425 351 T N -0.566 113.925 114.554 -0.105 0.000 2.938 351 T HA 0.898 5.248 4.350 -0.000 0.000 0.285 351 T C 0.126 174.529 174.700 -0.495 0.000 1.028 351 T CA -0.815 61.100 62.100 -0.308 0.000 1.005 351 T CB 1.814 70.583 68.868 -0.165 0.000 1.157 351 T HN 0.672 nan 8.240 nan 0.000 0.550 352 G N -0.097 108.252 108.800 -0.753 0.000 2.579 352 G HA2 0.513 4.473 3.960 -0.000 0.000 0.292 352 G HA3 0.513 4.473 3.960 -0.000 0.000 0.292 352 G C -1.927 172.951 174.900 -0.037 0.000 1.484 352 G CA -0.999 43.811 45.100 -0.485 0.000 0.813 352 G HN 0.836 nan 8.290 nan 0.000 0.515 353 K N -0.731 119.822 120.400 0.256 0.000 2.267 353 K HA 0.714 5.034 4.320 -0.000 0.000 0.246 353 K C -1.794 175.069 176.600 0.438 0.000 0.954 353 K CA -1.092 55.383 56.287 0.313 0.000 0.824 353 K CB 2.023 34.628 32.500 0.174 0.000 1.167 353 K HN 0.615 nan 8.250 nan 0.000 0.431 354 Y N 2.008 122.464 120.300 0.261 0.000 2.484 354 Y HA 0.460 5.010 4.550 -0.000 0.000 0.348 354 Y C -1.608 174.385 175.900 0.156 0.000 1.103 354 Y CA -0.544 57.653 58.100 0.161 0.000 1.317 354 Y CB 0.816 39.321 38.460 0.074 0.000 1.096 354 Y HN 0.637 nan 8.280 nan 0.000 0.568 355 A N 5.826 128.514 122.820 -0.220 0.000 2.328 355 A HA 0.892 5.212 4.320 -0.000 0.000 0.284 355 A C -0.286 177.005 177.584 -0.488 0.000 1.160 355 A CA -0.386 51.516 52.037 -0.225 0.000 0.818 355 A CB 0.687 19.645 19.000 -0.070 0.000 1.087 355 A HN 0.887 nan 8.150 nan 0.000 0.504 356 R N 1.625 121.845 120.500 -0.466 0.000 2.774 356 R HA 0.522 4.862 4.340 -0.000 0.000 0.279 356 R C -2.080 174.092 176.300 -0.213 0.000 1.022 356 R CA -0.650 55.202 56.100 -0.413 0.000 0.855 356 R CB 1.051 30.919 30.300 -0.719 0.000 1.279 356 R HN 0.715 nan 8.270 nan 0.000 0.485 357 M N 2.993 122.521 119.600 -0.119 0.000 2.659 357 M HA 0.173 4.653 4.480 -0.000 0.000 0.164 357 M C -1.750 174.537 176.300 -0.022 0.000 0.989 357 M CA -0.112 55.160 55.300 -0.048 0.000 0.803 357 M CB 0.829 33.416 32.600 -0.021 0.000 3.145 357 M HN 0.750 nan 8.290 nan 0.000 0.350 358 R N 1.668 122.160 120.500 -0.014 0.000 2.893 358 R HA 0.565 4.905 4.340 -0.000 0.000 0.243 358 R C 0.123 176.452 176.300 0.047 0.000 1.481 358 R CA 0.963 57.072 56.100 0.015 0.000 1.250 358 R CB -0.094 30.218 30.300 0.020 0.000 1.213 358 R HN 0.854 nan 8.270 nan 0.000 0.609 359 G N 0.122 108.958 108.800 0.060 0.000 2.350 359 G HA2 0.171 4.131 3.960 -0.000 0.000 0.305 359 G HA3 0.171 4.131 3.960 -0.000 0.000 0.305 359 G C -0.399 174.566 174.900 0.108 0.000 1.479 359 G CA -0.278 44.886 45.100 0.106 0.000 0.949 359 G HN 0.337 nan 8.290 nan 0.000 0.651 360 A N -0.572 122.357 122.820 0.182 0.000 2.132 360 A HA 0.497 4.817 4.320 -0.000 0.000 0.213 360 A C 0.712 178.287 177.584 -0.016 0.000 1.154 360 A CA 1.447 53.555 52.037 0.119 0.000 0.753 360 A CB -0.085 19.042 19.000 0.212 0.000 0.826 360 A HN 0.922 nan 8.150 nan 0.000 0.469 361 H N -0.527 118.578 119.070 0.058 0.000 3.108 361 H HA 0.472 5.028 4.556 -0.000 0.000 0.329 361 H C -0.013 175.355 175.328 0.067 0.000 0.978 361 H CA -0.211 55.873 56.048 0.061 0.000 1.413 361 H CB 1.173 30.976 29.762 0.067 0.000 1.670 361 H HN 0.239 nan 8.280 nan 0.000 0.512 362 T N -0.364 114.273 114.554 0.139 0.000 2.768 362 T HA 0.539 4.889 4.350 -0.000 0.000 0.268 362 T C -0.156 174.554 174.700 0.017 0.000 0.969 362 T CA -0.994 61.148 62.100 0.069 0.000 1.008 362 T CB 1.859 70.739 68.868 0.020 0.000 1.371 362 T HN 0.445 nan 8.240 nan 0.000 0.587 363 N N -0.991 117.652 118.700 -0.095 0.000 2.329 363 N HA 0.309 5.049 4.740 -0.000 0.000 0.282 363 N C -0.251 175.130 175.510 -0.215 0.000 1.198 363 N CA -0.636 52.289 53.050 -0.208 0.000 0.790 363 N CB 1.952 40.159 38.487 -0.466 0.000 1.579 363 N HN 0.517 nan 8.380 nan 0.000 0.475 364 D N 1.016 121.302 120.400 -0.190 0.000 2.117 364 D HA -0.080 4.560 4.640 -0.000 0.000 0.197 364 D C 1.709 177.913 176.300 -0.161 0.000 0.987 364 D CA 1.137 55.123 54.000 -0.023 0.000 0.829 364 D CB -0.022 40.752 40.800 -0.043 0.000 0.961 364 D HN 0.339 nan 8.370 nan 0.000 0.460 365 V N 1.015 120.683 119.914 -0.411 0.000 2.282 365 V HA -0.285 3.835 4.120 -0.000 0.000 0.249 365 V C 2.465 178.262 176.094 -0.494 0.000 1.057 365 V CA 1.775 63.758 62.300 -0.529 0.000 1.032 365 V CB -0.400 30.792 31.823 -1.052 0.000 0.645 365 V HN 0.172 nan 8.190 nan 0.000 0.447 366 K N -0.443 119.597 120.400 -0.600 0.000 2.002 366 K HA -0.226 4.094 4.320 -0.000 0.000 0.209 366 K C 2.312 178.743 176.600 -0.282 0.000 1.048 366 K CA 1.788 57.858 56.287 -0.361 0.000 0.930 366 K CB -0.172 32.139 32.500 -0.315 0.000 0.714 366 K HN 0.530 nan 8.250 nan 0.000 0.438 367 Q N 0.372 119.981 119.800 -0.317 0.000 2.124 367 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 367 Q C 2.137 177.664 176.000 -0.788 0.000 0.977 367 Q CA 1.220 56.759 55.803 -0.439 0.000 0.850 367 Q CB -0.151 28.337 28.738 -0.416 0.000 0.901 367 Q HN 0.248 nan 8.270 nan 0.000 0.429 368 L N 0.640 121.354 121.223 -0.848 0.000 1.989 368 L HA -0.210 4.130 4.340 -0.000 0.000 0.211 368 L C 2.109 178.607 176.870 -0.621 0.000 1.071 368 L CA 2.153 56.489 54.840 -0.839 0.000 0.749 368 L CB -0.936 40.900 42.059 -0.371 0.000 0.890 368 L HN 0.125 nan 8.230 nan 0.000 0.431 369 T N -0.464 113.813 114.554 -0.461 0.000 2.699 369 T HA -0.231 4.119 4.350 -0.000 0.000 0.268 369 T C 1.651 176.121 174.700 -0.384 0.000 1.036 369 T CA 1.860 63.721 62.100 -0.398 0.000 1.147 369 T CB -0.392 68.388 68.868 -0.147 0.000 0.862 369 T HN 0.511 nan 8.240 nan 0.000 0.446 370 E N 1.304 121.298 120.200 -0.344 0.000 2.038 370 E HA -0.124 4.226 4.350 -0.000 0.000 0.195 370 E C 2.669 178.925 176.600 -0.574 0.000 1.000 370 E CA 1.104 57.323 56.400 -0.302 0.000 0.803 370 E CB -0.352 29.274 29.700 -0.124 0.000 0.750 370 E HN 0.505 nan 8.360 nan 0.000 0.448 371 A N 1.152 123.422 122.820 -0.916 0.000 1.948 371 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 371 A C 2.540 179.675 177.584 -0.748 0.000 1.177 371 A CA 1.547 52.788 52.037 -1.327 0.000 0.636 371 A CB -0.845 17.497 19.000 -1.097 0.000 0.815 371 A HN 0.126 nan 8.150 nan 0.000 0.449 372 V N -0.237 119.323 119.914 -0.589 0.000 2.233 372 V HA -0.364 3.756 4.120 -0.000 0.000 0.247 372 V C 2.642 178.517 176.094 -0.364 0.000 1.050 372 V CA 2.408 64.382 62.300 -0.545 0.000 1.010 372 V CB -1.075 30.277 31.823 -0.785 0.000 0.637 372 V HN 0.675 nan 8.190 nan 0.000 0.444 373 Q N -0.196 119.405 119.800 -0.333 0.000 2.135 373 Q HA -0.269 4.071 4.340 -0.000 0.000 0.204 373 Q C 2.335 178.233 176.000 -0.169 0.000 0.981 373 Q CA 1.939 57.628 55.803 -0.190 0.000 0.856 373 Q CB -0.307 28.344 28.738 -0.145 0.000 0.902 373 Q HN 0.638 nan 8.270 nan 0.000 0.425 374 K N 1.263 121.501 120.400 -0.270 0.000 1.978 374 K HA -0.204 4.116 4.320 -0.000 0.000 0.214 374 K C 1.958 178.443 176.600 -0.192 0.000 1.049 374 K CA 1.603 57.748 56.287 -0.237 0.000 0.939 374 K CB -0.243 32.035 32.500 -0.370 0.000 0.721 374 K HN 0.149 nan 8.250 nan 0.000 0.441 375 I N 1.407 121.822 120.570 -0.258 0.000 2.248 375 I HA -0.303 3.867 4.170 -0.000 0.000 0.248 375 I C 2.271 178.411 176.117 0.038 0.000 1.107 375 I CA 1.663 62.875 61.300 -0.148 0.000 1.373 375 I CB -0.543 37.359 38.000 -0.162 0.000 1.055 375 I HN 0.367 nan 8.210 nan 0.000 0.418 376 T N 0.081 114.699 114.554 0.107 0.000 2.607 376 T HA -0.248 4.102 4.350 -0.000 0.000 0.267 376 T C 2.025 176.768 174.700 0.071 0.000 1.049 376 T CA 2.515 64.712 62.100 0.161 0.000 1.162 376 T CB -0.789 68.156 68.868 0.130 0.000 0.863 376 T HN 0.604 nan 8.240 nan 0.000 0.424 377 T N 0.890 115.452 114.554 0.012 0.000 2.708 377 T HA -0.166 4.184 4.350 -0.000 0.000 0.266 377 T C 1.847 176.521 174.700 -0.043 0.000 1.037 377 T CA 1.802 63.892 62.100 -0.016 0.000 1.146 377 T CB -0.644 68.202 68.868 -0.037 0.000 0.865 377 T HN 0.554 nan 8.240 nan 0.000 0.435 378 E N 0.932 121.099 120.200 -0.056 0.000 2.208 378 E HA -0.210 4.140 4.350 -0.000 0.000 0.202 378 E C 2.169 178.695 176.600 -0.123 0.000 1.014 378 E CA 1.653 57.999 56.400 -0.089 0.000 0.819 378 E CB -0.291 29.369 29.700 -0.066 0.000 0.735 378 E HN 0.646 nan 8.360 nan 0.000 0.469 379 S N 0.152 115.845 115.700 -0.012 0.000 2.348 379 S HA -0.025 4.445 4.470 -0.000 0.000 0.219 379 S C 1.936 176.499 174.600 -0.061 0.000 1.033 379 S CA 0.887 59.123 58.200 0.060 0.000 0.974 379 S CB -0.194 63.215 63.200 0.347 0.000 0.868 379 S HN 0.306 nan 8.310 nan 0.000 0.459 380 I N 1.834 122.406 120.570 0.002 0.000 2.381 380 I HA -0.193 3.977 4.170 -0.000 0.000 0.255 380 I C 1.976 178.031 176.117 -0.102 0.000 1.140 380 I CA 0.797 62.087 61.300 -0.017 0.000 1.404 380 I CB -0.659 37.343 38.000 0.002 0.000 1.075 380 I HN 0.152 nan 8.210 nan 0.000 0.433 381 V N 1.167 120.982 119.914 -0.165 0.000 2.256 381 V HA -0.198 3.922 4.120 -0.000 0.000 0.240 381 V C 2.250 178.137 176.094 -0.344 0.000 1.036 381 V CA 1.716 63.887 62.300 -0.214 0.000 1.008 381 V CB -0.315 31.383 31.823 -0.209 0.000 0.648 381 V HN 0.272 nan 8.190 nan 0.000 0.453 382 I N -1.178 119.056 120.570 -0.560 0.000 2.163 382 I HA -0.212 3.958 4.170 -0.000 0.000 0.240 382 I C 2.408 177.946 176.117 -0.966 0.000 1.081 382 I CA 2.096 62.839 61.300 -0.930 0.000 1.353 382 I CB -0.486 36.572 38.000 -1.571 0.000 1.054 382 I HN 0.364 nan 8.210 nan 0.000 0.407 383 W N 0.206 121.377 121.300 -0.215 0.000 2.588 383 W HA 0.303 4.963 4.660 -0.000 0.000 0.277 383 W C 1.792 178.173 176.519 -0.230 0.000 1.221 383 W CA 0.663 57.795 57.345 -0.355 0.000 1.355 383 W CB -0.205 29.136 29.460 -0.198 0.000 1.083 383 W HN 0.277 nan 8.180 nan 0.000 0.581 384 G N 0.257 109.059 108.800 0.003 0.000 2.168 384 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.197 384 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.197 384 G C -0.051 174.896 174.900 0.078 0.000 0.997 384 G CA -0.216 44.892 45.100 0.013 0.000 0.658 384 G HN 0.217 nan 8.290 nan 0.000 0.513 385 K N -0.377 120.108 120.400 0.142 0.000 2.556 385 K HA 0.552 4.872 4.320 -0.000 0.000 0.274 385 K C -0.871 175.827 176.600 0.163 0.000 0.966 385 K CA -0.748 55.625 56.287 0.143 0.000 0.865 385 K CB 1.470 34.065 32.500 0.158 0.000 1.444 385 K HN 0.044 nan 8.250 nan 0.000 0.433 386 T N 3.718 118.356 114.554 0.141 0.000 2.794 386 T HA 0.229 4.579 4.350 -0.000 0.000 0.296 386 T C -1.957 172.806 174.700 0.105 0.000 0.949 386 T CA -1.024 61.169 62.100 0.154 0.000 1.101 386 T CB 0.548 69.533 68.868 0.195 0.000 0.905 386 T HN 0.366 nan 8.240 nan 0.000 0.516 387 P HA 0.251 nan 4.420 nan 0.000 0.274 387 P C -0.723 176.433 177.300 -0.241 0.000 1.260 387 P CA -0.629 62.356 63.100 -0.191 0.000 0.793 387 P CB 0.989 32.445 31.700 -0.407 0.000 1.048 388 K N 0.243 120.486 120.400 -0.262 0.000 2.159 388 K HA 0.456 4.776 4.320 -0.000 0.000 0.266 388 K C -0.395 176.048 176.600 -0.263 0.000 0.975 388 K CA -0.384 55.843 56.287 -0.101 0.000 0.865 388 K CB 0.664 33.152 32.500 -0.021 0.000 1.087 388 K HN 0.301 nan 8.250 nan 0.000 0.446 389 F N 1.491 121.452 119.950 0.019 0.000 2.440 389 F HA 0.408 4.935 4.527 -0.000 0.000 0.328 389 F C 0.426 176.277 175.800 0.086 0.000 1.070 389 F CA -0.800 57.221 58.000 0.036 0.000 1.011 389 F CB 1.011 40.030 39.000 0.032 0.000 1.226 389 F HN 0.044 nan 8.300 nan 0.000 0.491 390 K N 3.502 124.068 120.400 0.278 0.000 2.604 390 K HA 0.514 4.834 4.320 -0.000 0.000 0.247 390 K C -1.387 175.400 176.600 0.312 0.000 0.956 390 K CA -0.215 56.208 56.287 0.227 0.000 0.896 390 K CB 1.710 34.283 32.500 0.122 0.000 1.131 390 K HN 0.545 nan 8.250 nan 0.000 0.440 391 L N 2.766 124.274 121.223 0.475 0.000 2.362 391 L HA 0.469 4.809 4.340 -0.000 0.000 0.271 391 L C -2.073 175.106 176.870 0.514 0.000 1.002 391 L CA -2.328 52.782 54.840 0.449 0.000 0.818 391 L CB 2.223 44.473 42.059 0.319 0.000 1.298 391 L HN 0.149 nan 8.230 nan 0.000 0.420 392 P HA 0.172 nan 4.420 nan 0.000 0.246 392 P C -0.806 176.644 177.300 0.250 0.000 1.675 392 P CA 0.694 63.993 63.100 0.331 0.000 0.908 392 P CB -0.268 31.531 31.700 0.165 0.000 1.890 393 I N -1.138 119.598 120.570 0.276 0.000 2.680 393 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 393 I C -1.173 174.840 176.117 -0.174 0.000 1.244 393 I CA -0.905 60.414 61.300 0.032 0.000 1.042 393 I CB 2.082 40.100 38.000 0.030 0.000 1.277 393 I HN -0.195 nan 8.210 nan 0.000 0.423 394 Q N 6.491 125.969 119.800 -0.536 0.000 2.314 394 Q HA 0.242 4.582 4.340 -0.000 0.000 0.258 394 Q C 0.569 176.545 176.000 -0.040 0.000 0.954 394 Q CA -0.703 54.678 55.803 -0.704 0.000 0.890 394 Q CB 1.191 29.596 28.738 -0.556 0.000 1.210 394 Q HN 0.470 nan 8.270 nan 0.000 0.410 395 K N 2.075 122.450 120.400 -0.042 0.000 2.127 395 K HA -0.274 4.046 4.320 -0.000 0.000 0.208 395 K C 1.450 178.180 176.600 0.218 0.000 1.047 395 K CA 1.644 58.022 56.287 0.151 0.000 0.927 395 K CB 0.062 32.532 32.500 -0.050 0.000 0.716 395 K HN 0.721 nan 8.250 nan 0.000 0.450 396 E N 0.057 120.311 120.200 0.090 0.000 2.216 396 E HA -0.071 4.279 4.350 -0.000 0.000 0.192 396 E C 1.309 177.949 176.600 0.067 0.000 0.988 396 E CA 0.847 57.288 56.400 0.068 0.000 0.834 396 E CB 0.241 29.956 29.700 0.024 0.000 0.772 396 E HN 0.191 nan 8.360 nan 0.000 0.479 397 T N 0.851 115.448 114.554 0.071 0.000 2.821 397 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 397 T C 1.191 175.954 174.700 0.106 0.000 1.046 397 T CA 1.005 63.134 62.100 0.049 0.000 1.139 397 T CB -0.320 68.549 68.868 0.003 0.000 0.871 397 T HN 0.413 nan 8.240 nan 0.000 0.454 398 W N 2.291 123.631 121.300 0.068 0.000 2.381 398 W HA -0.117 4.543 4.660 -0.000 0.000 0.323 398 W C 2.260 178.873 176.519 0.157 0.000 1.194 398 W CA 1.474 58.886 57.345 0.112 0.000 1.296 398 W CB -0.514 29.031 29.460 0.141 0.000 1.175 398 W HN 0.285 nan 8.180 nan 0.000 0.465 399 E N -0.059 120.233 120.200 0.152 0.000 2.197 399 E HA -0.348 4.002 4.350 -0.000 0.000 0.205 399 E C 2.017 178.384 176.600 -0.388 0.000 1.029 399 E CA 3.128 59.467 56.400 -0.102 0.000 0.828 399 E CB -0.341 29.365 29.700 0.011 0.000 0.737 399 E HN 0.387 nan 8.360 nan 0.000 0.464 400 T N -1.365 113.059 114.554 -0.216 0.000 2.701 400 T HA -0.201 4.149 4.350 -0.000 0.000 0.263 400 T C 1.798 176.326 174.700 -0.287 0.000 1.040 400 T CA 1.113 63.066 62.100 -0.244 0.000 1.147 400 T CB -1.167 67.632 68.868 -0.114 0.000 0.865 400 T HN 0.534 nan 8.240 nan 0.000 0.426 401 W N 2.164 123.222 121.300 -0.403 0.000 2.304 401 W HA -0.216 4.444 4.660 -0.000 0.000 0.315 401 W C 2.374 178.629 176.519 -0.441 0.000 1.233 401 W CA 1.777 58.854 57.345 -0.447 0.000 1.261 401 W CB -0.686 28.456 29.460 -0.529 0.000 1.150 401 W HN 0.624 nan 8.180 nan 0.000 0.494 402 W N 1.718 122.566 121.300 -0.754 0.000 2.358 402 W HA -0.169 4.491 4.660 0.000 0.000 0.303 402 W C 1.704 177.927 176.519 -0.493 0.000 1.208 402 W CA 1.640 58.525 57.345 -0.766 0.000 1.274 402 W CB -1.306 27.813 29.460 -0.568 0.000 1.138 402 W HN -0.248 nan 8.180 nan 0.000 0.515 403 T N 1.813 115.805 114.554 -0.938 0.000 2.833 403 T HA -0.203 4.147 4.350 -0.000 0.000 0.269 403 T C 0.965 175.430 174.700 -0.392 0.000 1.054 403 T CA 1.886 63.418 62.100 -0.948 0.000 1.135 403 T CB -0.349 67.874 68.868 -1.076 0.000 0.869 403 T HN 0.305 nan 8.240 nan 0.000 0.466 404 E N -0.123 119.840 120.200 -0.396 0.000 2.359 404 E HA 0.109 4.459 4.350 -0.000 0.000 0.187 404 E C -0.756 175.646 176.600 -0.330 0.000 1.081 404 E CA -0.182 56.046 56.400 -0.286 0.000 0.929 404 E CB 0.149 29.704 29.700 -0.241 0.000 1.086 404 E HN 0.395 nan 8.360 nan 0.000 0.462 405 Y N 0.611 120.547 120.300 -0.606 0.000 2.391 405 Y HA 0.087 4.637 4.550 -0.000 0.000 0.341 405 Y C 0.428 176.032 175.900 -0.494 0.000 0.965 405 Y CA -2.270 55.330 58.100 -0.834 0.000 1.067 405 Y CB 0.615 38.244 38.460 -1.384 0.000 1.199 405 Y HN 0.046 nan 8.280 nan 0.000 0.450 406 W N 2.172 123.128 121.300 -0.573 0.000 2.374 406 W HA -0.028 4.631 4.660 -0.000 0.000 0.288 406 W C -0.293 175.908 176.519 -0.530 0.000 1.218 406 W CA 0.334 57.388 57.345 -0.485 0.000 1.245 406 W CB -0.574 28.650 29.460 -0.393 0.000 1.126 406 W HN 0.484 nan 8.180 nan 0.000 0.545 407 Q N 0.556 119.632 119.800 -1.207 0.000 2.256 407 Q HA 0.535 4.875 4.340 -0.000 0.000 0.232 407 Q C -0.161 175.623 176.000 -0.360 0.000 0.965 407 Q CA -0.473 54.939 55.803 -0.652 0.000 0.908 407 Q CB 1.512 29.809 28.738 -0.734 0.000 1.209 407 Q HN -0.023 nan 8.270 nan 0.000 0.489 408 A N 1.147 123.852 122.820 -0.192 0.000 2.331 408 A HA 0.576 4.896 4.320 -0.000 0.000 0.283 408 A C -0.125 177.424 177.584 -0.058 0.000 1.142 408 A CA -0.165 51.784 52.037 -0.146 0.000 0.812 408 A CB 0.413 19.335 19.000 -0.130 0.000 1.074 408 A HN 0.726 nan 8.150 nan 0.000 0.497 409 T N -1.730 112.812 114.554 -0.020 0.000 2.838 409 T HA 0.727 5.077 4.350 -0.000 0.000 0.292 409 T C -1.029 173.856 174.700 0.309 0.000 1.113 409 T CA -0.682 61.516 62.100 0.164 0.000 1.008 409 T CB 1.234 70.280 68.868 0.296 0.000 1.259 409 T HN 1.350 nan 8.240 nan 0.000 0.520 410 W N 0.302 121.673 121.300 0.118 0.000 3.901 410 W HA 0.600 5.260 4.660 -0.000 0.000 0.274 410 W C -2.627 173.814 176.519 -0.129 0.000 1.278 410 W CA -0.882 56.486 57.345 0.039 0.000 1.235 410 W CB 0.942 30.370 29.460 -0.052 0.000 1.261 410 W HN 0.866 nan 8.180 nan 0.000 0.546 411 I N 7.060 127.075 120.570 -0.926 0.000 2.646 411 I HA 0.497 4.667 4.170 -0.000 0.000 0.299 411 I C -1.497 173.579 176.117 -1.734 0.000 1.036 411 I CA -2.259 58.372 61.300 -1.114 0.000 1.074 411 I CB 2.166 39.349 38.000 -1.362 0.000 1.258 411 I HN 0.209 nan 8.210 nan 0.000 0.430 412 P HA 0.002 nan 4.420 nan 0.000 0.195 412 P C -0.139 176.980 177.300 -0.301 0.000 1.086 412 P CA 0.931 63.568 63.100 -0.772 0.000 0.798 412 P CB 0.319 32.036 31.700 0.028 0.000 0.679 413 E N 0.042 120.267 120.200 0.041 0.000 1.979 413 E HA 0.073 4.423 4.350 -0.000 0.000 0.285 413 E C -0.421 176.331 176.600 0.254 0.000 1.188 413 E CA -0.336 56.160 56.400 0.160 0.000 1.214 413 E CB -1.039 28.786 29.700 0.209 0.000 1.210 413 E HN 0.438 nan 8.360 nan 0.000 0.477 414 W N 2.535 123.734 121.300 -0.169 0.000 2.216 414 W HA 0.179 4.839 4.660 -0.000 0.000 0.326 414 W C 0.026 176.509 176.519 -0.060 0.000 1.319 414 W CA -0.127 57.096 57.345 -0.204 0.000 1.213 414 W CB 0.783 30.006 29.460 -0.394 0.000 1.171 414 W HN 0.104 nan 8.180 nan 0.000 0.557 415 E N 6.678 126.803 120.200 -0.125 0.000 2.406 415 E HA 0.077 4.427 4.350 -0.000 0.000 0.297 415 E C -1.846 174.569 176.600 -0.308 0.000 0.917 415 E CA -0.745 55.435 56.400 -0.367 0.000 0.795 415 E CB 0.814 30.470 29.700 -0.073 0.000 1.285 415 E HN 0.358 nan 8.360 nan 0.000 0.400 416 F N 4.248 123.826 119.950 -0.619 0.000 2.495 416 F HA 0.373 4.900 4.527 -0.000 0.000 0.365 416 F C -0.638 175.112 175.800 -0.084 0.000 1.090 416 F CA -0.467 57.357 58.000 -0.295 0.000 1.235 416 F CB 0.616 39.466 39.000 -0.251 0.000 1.119 416 F HN 0.130 nan 8.300 nan 0.000 0.562 417 V N 6.809 126.692 119.914 -0.052 0.000 2.419 417 V HA 0.135 4.255 4.120 -0.000 0.000 0.287 417 V C -0.252 175.535 176.094 -0.512 0.000 1.017 417 V CA -1.131 60.942 62.300 -0.378 0.000 0.844 417 V CB 1.373 33.170 31.823 -0.042 0.000 1.011 417 V HN 0.744 nan 8.190 nan 0.000 0.429 418 N N 3.526 121.676 118.700 -0.916 0.000 2.410 418 N HA 0.111 4.851 4.740 -0.000 0.000 0.281 418 N C 0.195 175.649 175.510 -0.094 0.000 1.241 418 N CA 0.185 52.990 53.050 -0.408 0.000 0.998 418 N CB 0.353 38.641 38.487 -0.331 0.000 1.376 418 N HN 0.703 nan 8.380 nan 0.000 0.490 419 T N 2.940 117.519 114.554 0.041 0.000 2.912 419 T HA 0.276 4.626 4.350 -0.000 0.000 0.280 419 T C -1.290 173.446 174.700 0.060 0.000 0.989 419 T CA -1.376 60.750 62.100 0.042 0.000 0.995 419 T CB 1.543 70.449 68.868 0.064 0.000 1.077 419 T HN 0.360 nan 8.240 nan 0.000 0.531 420 P HA 0.017 nan 4.420 nan 0.000 0.205 420 P C -1.885 175.441 177.300 0.042 0.000 1.193 420 P CA 1.131 64.254 63.100 0.038 0.000 0.929 420 P CB -1.630 30.083 31.700 0.022 0.000 0.772 421 P HA 0.162 nan 4.420 nan 0.000 0.276 421 P C -0.122 177.173 177.300 -0.008 0.000 1.264 421 P CA 0.634 63.728 63.100 -0.009 0.000 0.769 421 P CB 0.643 32.301 31.700 -0.070 0.000 0.840 422 L N 3.570 124.806 121.223 0.022 0.000 2.331 422 L HA 0.561 4.901 4.340 -0.000 0.000 0.268 422 L C 0.639 177.458 176.870 -0.085 0.000 1.015 422 L CA -1.366 53.489 54.840 0.025 0.000 0.807 422 L CB 2.051 44.170 42.059 0.100 0.000 1.293 422 L HN 0.223 nan 8.230 nan 0.000 0.451 423 V N -0.476 119.380 119.914 -0.097 0.000 2.459 423 V HA 0.630 4.750 4.120 -0.000 0.000 0.295 423 V C -0.596 175.350 176.094 -0.247 0.000 1.029 423 V CA -0.527 61.650 62.300 -0.205 0.000 0.874 423 V CB 1.440 33.209 31.823 -0.090 0.000 0.985 423 V HN 0.767 nan 8.190 nan 0.000 0.438 424 K N 4.204 124.336 120.400 -0.447 0.000 2.536 424 K HA 0.575 4.895 4.320 -0.000 0.000 0.269 424 K C -1.348 174.997 176.600 -0.425 0.000 0.965 424 K CA -0.954 55.128 56.287 -0.343 0.000 0.860 424 K CB 2.700 35.103 32.500 -0.162 0.000 1.423 424 K HN 0.725 nan 8.250 nan 0.000 0.438 425 L N 2.469 123.577 121.223 -0.192 0.000 2.515 425 L HA 0.105 4.445 4.340 -0.000 0.000 0.281 425 L C 0.934 177.892 176.870 0.148 0.000 1.131 425 L CA -0.055 54.714 54.840 -0.118 0.000 0.905 425 L CB -0.113 41.909 42.059 -0.062 0.000 1.246 425 L HN 0.688 nan 8.230 nan 0.000 0.463 426 W N 2.806 124.156 121.300 0.084 0.000 2.331 426 W HA -0.222 4.438 4.660 0.000 0.000 0.291 426 W C 0.723 177.418 176.519 0.294 0.000 1.214 426 W CA 0.252 57.708 57.345 0.184 0.000 1.228 426 W CB 0.016 29.605 29.460 0.214 0.000 1.135 426 W HN 0.584 nan 8.180 nan 0.000 0.537 427 Y N -2.888 117.569 120.300 0.262 0.000 2.840 427 Y HA 0.654 5.204 4.550 -0.000 0.000 0.324 427 Y C -1.033 174.944 175.900 0.128 0.000 1.378 427 Y CA -2.401 55.795 58.100 0.161 0.000 1.077 427 Y CB 0.411 38.947 38.460 0.127 0.000 1.361 427 Y HN -0.157 nan 8.280 nan 0.000 0.459 428 Q N 0.803 120.592 119.800 -0.019 0.000 2.472 428 Q HA 0.593 4.933 4.340 -0.000 0.000 0.281 428 Q C -1.677 174.345 176.000 0.037 0.000 0.997 428 Q CA -0.923 54.816 55.803 -0.107 0.000 0.828 428 Q CB 3.407 32.130 28.738 -0.025 0.000 1.443 428 Q HN 0.669 nan 8.270 nan 0.000 0.390 429 L N 0.793 122.025 121.223 0.016 0.000 2.387 429 L HA 0.460 4.800 4.340 -0.000 0.000 0.266 429 L C 0.261 177.186 176.870 0.091 0.000 1.059 429 L CA -1.011 53.878 54.840 0.081 0.000 0.801 429 L CB 0.638 42.729 42.059 0.053 0.000 1.223 429 L HN 0.479 nan 8.230 nan 0.000 0.456 430 E N 1.084 121.376 120.200 0.153 0.000 2.354 430 E HA 0.092 4.442 4.350 -0.000 0.000 0.269 430 E C 0.385 177.131 176.600 0.243 0.000 1.036 430 E CA -0.309 56.206 56.400 0.191 0.000 0.876 430 E CB 1.270 31.116 29.700 0.243 0.000 1.009 430 E HN 0.353 nan 8.360 nan 0.000 0.416 431 K N 1.147 121.649 120.400 0.170 0.000 2.103 431 K HA 0.004 4.324 4.320 -0.000 0.000 0.204 431 K C 0.316 177.084 176.600 0.279 0.000 1.052 431 K CA 1.018 57.405 56.287 0.167 0.000 0.945 431 K CB 0.328 32.877 32.500 0.082 0.000 0.722 431 K HN 0.404 nan 8.250 nan 0.000 0.443 432 E N 0.361 120.662 120.200 0.168 0.000 2.312 432 E HA 0.295 4.645 4.350 -0.000 0.000 0.267 432 E C -2.555 173.764 176.600 -0.469 0.000 0.894 432 E CA -2.623 53.745 56.400 -0.054 0.000 0.773 432 E CB 1.711 31.375 29.700 -0.061 0.000 1.241 432 E HN -0.067 nan 8.360 nan 0.000 0.432 433 P HA 0.064 nan 4.420 nan 0.000 0.265 433 P C -0.037 177.032 177.300 -0.385 0.000 1.187 433 P CA 0.234 62.664 63.100 -1.116 0.000 0.766 433 P CB 0.625 31.815 31.700 -0.850 0.000 0.820 434 I N 2.705 123.150 120.570 -0.207 0.000 2.471 434 I HA 0.064 4.234 4.170 -0.000 0.000 0.286 434 I C 0.714 176.800 176.117 -0.053 0.000 1.079 434 I CA -0.712 60.546 61.300 -0.069 0.000 1.398 434 I CB 0.819 38.823 38.000 0.007 0.000 1.403 434 I HN 0.074 nan 8.210 nan 0.000 0.530 435 V N 6.281 126.171 119.914 -0.040 0.000 2.508 435 V HA 0.307 4.427 4.120 -0.000 0.000 0.281 435 V C 1.121 177.214 176.094 -0.002 0.000 1.041 435 V CA 0.625 62.911 62.300 -0.024 0.000 1.016 435 V CB 0.488 32.298 31.823 -0.021 0.000 0.984 435 V HN 1.157 nan 8.190 nan 0.000 0.478 436 G N 3.875 112.679 108.800 0.007 0.000 2.141 436 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.242 436 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.242 436 G C 0.241 175.162 174.900 0.034 0.000 0.982 436 G CA 0.028 45.139 45.100 0.018 0.000 0.662 436 G HN 1.441 nan 8.290 nan 0.000 0.527 437 A N -0.043 122.804 122.820 0.046 0.000 2.301 437 A HA 0.714 5.034 4.320 -0.000 0.000 0.312 437 A C 0.368 178.014 177.584 0.104 0.000 1.182 437 A CA 0.135 52.221 52.037 0.081 0.000 0.826 437 A CB 0.679 19.733 19.000 0.090 0.000 1.134 437 A HN 0.594 nan 8.150 nan 0.000 0.501 438 E N 1.810 122.090 120.200 0.135 0.000 2.351 438 E HA 0.130 4.480 4.350 -0.000 0.000 0.266 438 E C -0.564 176.143 176.600 0.177 0.000 1.031 438 E CA 0.093 56.548 56.400 0.091 0.000 0.911 438 E CB 0.316 30.047 29.700 0.053 0.000 0.986 438 E HN 0.551 nan 8.360 nan 0.000 0.446 439 T N 5.869 120.493 114.554 0.116 0.000 2.727 439 T HA 0.158 4.508 4.350 -0.000 0.000 0.295 439 T C -0.597 174.252 174.700 0.249 0.000 0.915 439 T CA -0.101 62.137 62.100 0.229 0.000 1.066 439 T CB -0.222 68.801 68.868 0.259 0.000 0.891 439 T HN 0.231 nan 8.240 nan 0.000 0.516 440 F N 3.256 123.298 119.950 0.154 0.000 2.391 440 F HA 0.350 4.877 4.527 -0.000 0.000 0.359 440 F C 0.084 175.996 175.800 0.187 0.000 1.122 440 F CA -1.241 56.863 58.000 0.173 0.000 1.120 440 F CB 0.437 39.410 39.000 -0.045 0.000 1.142 440 F HN 0.478 nan 8.300 nan 0.000 0.483 441 Y N 3.082 123.504 120.300 0.204 0.000 2.404 441 Y HA 0.479 5.029 4.550 -0.000 0.000 0.344 441 Y C 0.161 176.181 175.900 0.200 0.000 0.995 441 Y CA -0.867 57.319 58.100 0.145 0.000 1.201 441 Y CB 0.576 39.083 38.460 0.078 0.000 1.151 441 Y HN 0.224 nan 8.280 nan 0.000 0.517 442 V N 2.911 122.951 119.914 0.209 0.000 3.019 442 V HA 0.685 4.805 4.120 -0.000 0.000 0.317 442 V C -0.549 175.626 176.094 0.134 0.000 1.094 442 V CA -0.779 61.643 62.300 0.204 0.000 1.000 442 V CB 2.242 34.147 31.823 0.137 0.000 1.060 442 V HN 0.664 nan 8.190 nan 0.000 0.443 443 D N -0.578 119.904 120.400 0.138 0.000 2.842 443 D HA 0.524 5.164 4.640 -0.000 0.000 0.248 443 D C -0.609 175.751 176.300 0.101 0.000 1.140 443 D CA 0.259 54.314 54.000 0.092 0.000 0.728 443 D CB 1.938 42.777 40.800 0.065 0.000 1.595 443 D HN 0.926 nan 8.370 nan 0.000 0.450 444 G N -0.310 108.539 108.800 0.082 0.000 2.725 444 G HA2 1.028 4.988 3.960 -0.000 0.000 0.288 444 G HA3 1.028 4.988 3.960 -0.000 0.000 0.288 444 G C -1.485 173.451 174.900 0.060 0.000 1.399 444 G CA -0.071 45.077 45.100 0.079 0.000 0.859 444 G HN 0.841 nan 8.290 nan 0.000 0.479 445 A N -1.634 121.219 122.820 0.055 0.000 2.566 445 A HA 1.021 5.341 4.320 -0.000 0.000 0.290 445 A C -0.997 176.611 177.584 0.040 0.000 1.071 445 A CA 0.138 52.202 52.037 0.045 0.000 0.658 445 A CB 1.091 20.119 19.000 0.046 0.000 1.285 445 A HN 2.559 nan 8.150 nan 0.000 0.427 446 A N 0.623 123.462 122.820 0.033 0.000 2.577 446 A HA 0.670 4.990 4.320 -0.000 0.000 0.297 446 A C -1.133 176.465 177.584 0.023 0.000 1.060 446 A CA -0.468 51.585 52.037 0.028 0.000 0.697 446 A CB 1.134 20.148 19.000 0.025 0.000 1.281 446 A HN 1.447 nan 8.150 nan 0.000 0.402 447 N N 0.882 119.595 118.700 0.021 0.000 2.458 447 N HA 0.208 4.948 4.740 -0.000 0.000 0.270 447 N C 1.137 176.656 175.510 0.014 0.000 1.102 447 N CA -0.244 52.817 53.050 0.018 0.000 0.967 447 N CB 0.701 39.198 38.487 0.017 0.000 1.078 447 N HN 0.619 nan 8.380 nan 0.000 0.471 448 R N 2.114 122.621 120.500 0.012 0.000 2.091 448 R HA -0.133 4.207 4.340 -0.000 0.000 0.238 448 R C 1.131 177.436 176.300 0.008 0.000 1.136 448 R CA 1.266 57.371 56.100 0.008 0.000 0.959 448 R CB -0.100 30.205 30.300 0.007 0.000 0.856 448 R HN 0.643 nan 8.270 nan 0.000 0.437 449 E N 0.410 120.615 120.200 0.009 0.000 2.005 449 E HA -0.174 4.176 4.350 -0.000 0.000 0.198 449 E C 2.236 178.842 176.600 0.009 0.000 1.010 449 E CA 2.192 58.597 56.400 0.008 0.000 0.825 449 E CB -0.820 28.885 29.700 0.009 0.000 0.769 449 E HN 0.486 nan 8.360 nan 0.000 0.456 450 T N -1.065 113.496 114.554 0.011 0.000 2.951 450 T HA -0.050 4.300 4.350 -0.000 0.000 0.268 450 T C 0.672 175.380 174.700 0.013 0.000 1.073 450 T CA 0.734 62.841 62.100 0.012 0.000 1.134 450 T CB -0.174 68.702 68.868 0.013 0.000 0.884 450 T HN 0.159 nan 8.240 nan 0.000 0.479 451 K N 1.222 121.630 120.400 0.013 0.000 3.372 451 K HA -0.094 4.226 4.320 -0.000 0.000 0.272 451 K C -0.968 175.642 176.600 0.018 0.000 1.037 451 K CA 0.145 56.440 56.287 0.014 0.000 0.777 451 K CB -2.014 30.493 32.500 0.012 0.000 1.347 451 K HN 0.532 nan 8.250 nan 0.000 0.460 452 L N -0.676 120.559 121.223 0.020 0.000 2.466 452 L HA 0.800 5.140 4.340 -0.000 0.000 0.258 452 L C 0.438 177.324 176.870 0.026 0.000 0.973 452 L CA -0.940 53.914 54.840 0.023 0.000 0.826 452 L CB 2.535 44.606 42.059 0.021 0.000 1.372 452 L HN 0.282 nan 8.230 nan 0.000 0.409 453 G N 1.046 109.865 108.800 0.031 0.000 2.606 453 G HA2 0.604 4.564 3.960 -0.000 0.000 0.300 453 G HA3 0.604 4.564 3.960 -0.000 0.000 0.300 453 G C -2.013 172.912 174.900 0.041 0.000 1.360 453 G CA -0.569 44.553 45.100 0.035 0.000 0.783 453 G HN 0.415 nan 8.290 nan 0.000 0.484 454 K N -1.006 119.421 120.400 0.045 0.000 2.400 454 K HA 0.825 5.145 4.320 -0.000 0.000 0.246 454 K C -0.941 175.699 176.600 0.066 0.000 0.995 454 K CA -0.776 55.541 56.287 0.050 0.000 0.840 454 K CB 2.680 35.204 32.500 0.040 0.000 1.293 454 K HN 0.883 nan 8.250 nan 0.000 0.445 455 A N 0.571 123.438 122.820 0.079 0.000 2.465 455 A HA 0.785 5.105 4.320 -0.000 0.000 0.292 455 A C -0.791 176.871 177.584 0.130 0.000 1.041 455 A CA -0.271 51.831 52.037 0.108 0.000 0.718 455 A CB 1.734 20.806 19.000 0.120 0.000 1.266 455 A HN 0.786 nan 8.150 nan 0.000 0.403 456 G N 0.150 109.048 108.800 0.163 0.000 2.664 456 G HA2 0.831 4.791 3.960 -0.000 0.000 0.303 456 G HA3 0.831 4.791 3.960 -0.000 0.000 0.303 456 G C -1.132 173.976 174.900 0.347 0.000 1.243 456 G CA 0.328 45.544 45.100 0.194 0.000 0.826 456 G HN 2.075 nan 8.290 nan 0.000 0.498 457 Y N -3.564 116.803 120.300 0.112 0.000 2.895 457 Y HA 0.812 5.362 4.550 -0.000 0.000 0.339 457 Y C -1.167 174.788 175.900 0.092 0.000 1.363 457 Y CA -1.387 56.800 58.100 0.146 0.000 1.085 457 Y CB 0.750 39.367 38.460 0.261 0.000 1.500 457 Y HN 0.778 nan 8.280 nan 0.000 0.442 458 V N 0.359 120.409 119.914 0.227 0.000 3.202 458 V HA 0.880 5.000 4.120 -0.000 0.000 0.306 458 V C -0.759 175.382 176.094 0.078 0.000 1.283 458 V CA -0.185 62.129 62.300 0.023 0.000 1.065 458 V CB 2.280 34.087 31.823 -0.028 0.000 1.079 458 V HN 1.292 nan 8.190 nan 0.000 0.448 459 T N -2.025 112.468 114.554 -0.103 0.000 2.816 459 T HA 0.305 4.655 4.350 -0.000 0.000 0.299 459 T C 0.458 175.045 174.700 -0.188 0.000 1.230 459 T CA -0.239 61.738 62.100 -0.205 0.000 1.007 459 T CB 1.545 70.137 68.868 -0.459 0.000 1.289 459 T HN 0.682 nan 8.240 nan 0.000 0.508 460 N N 0.780 119.392 118.700 -0.146 0.000 2.309 460 N HA -0.097 4.643 4.740 -0.000 0.000 0.182 460 N C 1.117 176.567 175.510 -0.100 0.000 1.018 460 N CA 0.893 53.879 53.050 -0.107 0.000 0.876 460 N CB -0.205 38.263 38.487 -0.033 0.000 0.972 460 N HN 0.646 nan 8.380 nan 0.000 0.434 461 K N -0.526 119.806 120.400 -0.112 0.000 2.017 461 K HA 0.164 4.484 4.320 -0.000 0.000 0.207 461 K C 1.397 177.948 176.600 -0.081 0.000 1.035 461 K CA 1.413 57.651 56.287 -0.082 0.000 0.947 461 K CB -0.008 32.451 32.500 -0.068 0.000 0.749 461 K HN 0.407 nan 8.250 nan 0.000 0.443 462 G N -0.208 108.536 108.800 -0.093 0.000 4.258 462 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.208 462 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.208 462 G C -0.421 174.430 174.900 -0.083 0.000 0.777 462 G CA -0.629 44.423 45.100 -0.081 0.000 0.836 462 G HN -0.006 nan 8.290 nan 0.000 0.499 463 R N 0.748 121.204 120.500 -0.074 0.000 2.697 463 R HA 0.315 4.655 4.340 -0.000 0.000 0.265 463 R C -0.043 176.176 176.300 -0.134 0.000 1.009 463 R CA 0.738 56.809 56.100 -0.048 0.000 1.099 463 R CB 0.277 30.614 30.300 0.061 0.000 0.965 463 R HN 0.347 nan 8.270 nan 0.000 0.428 464 Q N 2.377 122.046 119.800 -0.220 0.000 3.068 464 Q HA 0.127 4.467 4.340 -0.000 0.000 0.209 464 Q C -1.552 174.197 176.000 -0.418 0.000 0.802 464 Q CA -0.339 55.246 55.803 -0.362 0.000 0.848 464 Q CB 1.007 29.625 28.738 -0.200 0.000 1.459 464 Q HN 0.493 nan 8.270 nan 0.000 0.455 465 K N 1.375 121.295 120.400 -0.800 0.000 2.132 465 K HA 0.791 5.111 4.320 -0.000 0.000 0.241 465 K C -1.152 175.268 176.600 -0.300 0.000 1.000 465 K CA -0.563 55.452 56.287 -0.453 0.000 0.911 465 K CB 1.579 33.908 32.500 -0.285 0.000 1.093 465 K HN 0.321 nan 8.250 nan 0.000 0.460 466 V N 1.372 121.224 119.914 -0.103 0.000 3.098 466 V HA 0.323 4.443 4.120 -0.000 0.000 0.294 466 V C -1.566 174.536 176.094 0.014 0.000 1.351 466 V CA -0.944 61.340 62.300 -0.027 0.000 0.999 466 V CB 2.270 34.072 31.823 -0.034 0.000 1.104 466 V HN 0.566 nan 8.190 nan 0.000 0.438 467 V N 4.322 124.262 119.914 0.042 0.000 2.888 467 V HA 0.580 4.700 4.120 -0.000 0.000 0.309 467 V C -2.573 173.548 176.094 0.045 0.000 1.114 467 V CA -1.566 60.762 62.300 0.047 0.000 0.940 467 V CB 2.885 34.751 31.823 0.071 0.000 1.021 467 V HN 0.781 nan 8.190 nan 0.000 0.426 468 P HA 0.539 nan 4.420 nan 0.000 0.278 468 P C -1.489 175.836 177.300 0.041 0.000 1.238 468 P CA -0.256 62.864 63.100 0.034 0.000 0.794 468 P CB 1.693 33.409 31.700 0.027 0.000 0.955 469 L N 1.815 123.062 121.223 0.040 0.000 2.445 469 L HA 0.494 4.834 4.340 -0.000 0.000 0.262 469 L C 0.267 177.158 176.870 0.035 0.000 0.974 469 L CA -0.589 54.277 54.840 0.043 0.000 0.822 469 L CB 2.528 44.618 42.059 0.051 0.000 1.339 469 L HN 0.369 nan 8.230 nan 0.000 0.409 470 T N -1.903 112.671 114.554 0.034 0.000 2.823 470 T HA 0.402 4.752 4.350 -0.000 0.000 0.279 470 T C -0.069 174.647 174.700 0.027 0.000 0.998 470 T CA -0.772 61.345 62.100 0.028 0.000 0.994 470 T CB 1.217 70.100 68.868 0.025 0.000 0.960 470 T HN 0.698 nan 8.240 nan 0.000 0.448 471 N N 1.513 120.227 118.700 0.023 0.000 2.614 471 N HA -0.166 4.574 4.740 -0.000 0.000 0.276 471 N C -0.209 175.315 175.510 0.023 0.000 1.119 471 N CA 0.781 53.843 53.050 0.020 0.000 0.742 471 N CB -0.778 37.719 38.487 0.018 0.000 0.900 471 N HN 1.061 nan 8.380 nan 0.000 0.549 472 T N -3.077 111.490 114.554 0.023 0.000 2.754 472 T HA 0.685 5.035 4.350 -0.000 0.000 0.296 472 T C 0.184 174.893 174.700 0.015 0.000 1.205 472 T CA -0.454 61.661 62.100 0.024 0.000 1.009 472 T CB 2.237 71.126 68.868 0.035 0.000 1.368 472 T HN 0.173 nan 8.240 nan 0.000 0.509 473 T N -1.456 113.103 114.554 0.009 0.000 2.938 473 T HA 0.449 4.799 4.350 -0.000 0.000 0.285 473 T C 0.815 175.512 174.700 -0.005 0.000 1.028 473 T CA -0.979 61.115 62.100 -0.009 0.000 1.005 473 T CB 1.024 69.869 68.868 -0.039 0.000 1.157 473 T HN 0.585 nan 8.240 nan 0.000 0.550 474 N N 0.021 118.710 118.700 -0.018 0.000 2.396 474 N HA -0.100 4.640 4.740 -0.000 0.000 0.180 474 N C 1.832 177.336 175.510 -0.010 0.000 1.028 474 N CA 0.743 53.792 53.050 -0.003 0.000 0.893 474 N CB 0.065 38.551 38.487 -0.001 0.000 0.967 474 N HN 0.625 nan 8.380 nan 0.000 0.440 475 Q N 0.837 120.588 119.800 -0.082 0.000 2.083 475 Q HA -0.025 4.315 4.340 -0.000 0.000 0.198 475 Q C 1.640 177.685 176.000 0.075 0.000 0.969 475 Q CA 0.869 56.599 55.803 -0.123 0.000 0.838 475 Q CB 0.137 28.534 28.738 -0.568 0.000 0.900 475 Q HN 0.139 nan 8.270 nan 0.000 0.436 476 K N 0.194 120.624 120.400 0.051 0.000 2.147 476 K HA -0.109 4.211 4.320 -0.000 0.000 0.205 476 K C 2.266 178.926 176.600 0.100 0.000 1.049 476 K CA 1.816 58.160 56.287 0.096 0.000 0.936 476 K CB -0.873 31.666 32.500 0.065 0.000 0.722 476 K HN 0.429 nan 8.250 nan 0.000 0.446 477 T N -0.188 114.415 114.554 0.081 0.000 2.732 477 T HA -0.067 4.283 4.350 -0.000 0.000 0.261 477 T C 1.686 176.452 174.700 0.111 0.000 1.040 477 T CA 0.708 62.861 62.100 0.090 0.000 1.145 477 T CB -0.139 68.772 68.868 0.072 0.000 0.866 477 T HN 0.060 nan 8.240 nan 0.000 0.427 478 E N 1.322 121.590 120.200 0.112 0.000 2.187 478 E HA -0.083 4.267 4.350 -0.000 0.000 0.199 478 E C 2.230 178.919 176.600 0.149 0.000 1.004 478 E CA 0.947 57.425 56.400 0.131 0.000 0.813 478 E CB -0.389 29.399 29.700 0.147 0.000 0.736 478 E HN 0.566 nan 8.360 nan 0.000 0.468 479 L N 0.441 121.764 121.223 0.167 0.000 2.102 479 L HA -0.143 4.197 4.340 -0.000 0.000 0.202 479 L C 2.621 179.577 176.870 0.143 0.000 1.076 479 L CA 0.643 55.570 54.840 0.146 0.000 0.761 479 L CB -0.383 41.767 42.059 0.153 0.000 0.921 479 L HN 0.033 nan 8.230 nan 0.000 0.444 480 Q N 0.196 120.084 119.800 0.147 0.000 2.062 480 Q HA -0.273 4.067 4.340 -0.000 0.000 0.209 480 Q C 2.348 178.466 176.000 0.197 0.000 0.996 480 Q CA 2.132 58.048 55.803 0.187 0.000 0.859 480 Q CB -0.592 28.238 28.738 0.154 0.000 0.920 480 Q HN 0.539 nan 8.270 nan 0.000 0.415 481 A N 0.933 123.847 122.820 0.157 0.000 1.883 481 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 481 A C 2.208 179.853 177.584 0.102 0.000 1.186 481 A CA 1.540 53.668 52.037 0.151 0.000 0.624 481 A CB -0.817 18.273 19.000 0.151 0.000 0.822 481 A HN 0.361 nan 8.150 nan 0.000 0.444 482 I N -1.961 118.667 120.570 0.096 0.000 2.208 482 I HA -0.274 3.896 4.170 -0.000 0.000 0.245 482 I C 2.487 178.630 176.117 0.043 0.000 1.097 482 I CA 1.756 63.082 61.300 0.044 0.000 1.363 482 I CB -0.481 37.551 38.000 0.053 0.000 1.051 482 I HN 0.527 nan 8.210 nan 0.000 0.413 483 Y N 1.960 122.234 120.300 -0.044 0.000 2.070 483 Y HA -0.277 4.273 4.550 -0.000 0.000 0.280 483 Y C 2.347 178.188 175.900 -0.098 0.000 1.148 483 Y CA 1.498 59.563 58.100 -0.058 0.000 1.125 483 Y CB -0.793 37.659 38.460 -0.015 0.000 0.975 483 Y HN -0.002 nan 8.280 nan 0.000 0.492 484 L N -0.188 120.953 121.223 -0.136 0.000 1.951 484 L HA -0.366 3.974 4.340 -0.000 0.000 0.222 484 L C 2.762 179.391 176.870 -0.403 0.000 1.078 484 L CA 1.839 56.546 54.840 -0.221 0.000 0.778 484 L CB -1.432 40.660 42.059 0.055 0.000 0.893 484 L HN 0.310 nan 8.230 nan 0.000 0.436 485 A N -0.324 122.158 122.820 -0.562 0.000 2.009 485 A HA -0.237 4.083 4.320 -0.000 0.000 0.222 485 A C 2.248 179.274 177.584 -0.931 0.000 1.175 485 A CA 1.961 53.358 52.037 -1.067 0.000 0.651 485 A CB -0.853 17.655 19.000 -0.819 0.000 0.815 485 A HN 0.440 nan 8.150 nan 0.000 0.459 486 L N -1.379 119.538 121.223 -0.511 0.000 2.027 486 L HA -0.239 4.101 4.340 -0.000 0.000 0.206 486 L C 2.971 179.628 176.870 -0.354 0.000 1.074 486 L CA 1.656 56.274 54.840 -0.369 0.000 0.745 486 L CB -0.651 41.313 42.059 -0.158 0.000 0.898 486 L HN 0.514 nan 8.230 nan 0.000 0.433 487 Q N 0.039 119.604 119.800 -0.393 0.000 1.967 487 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 487 Q C 0.246 176.112 176.000 -0.223 0.000 0.985 487 Q CA 1.201 56.813 55.803 -0.319 0.000 0.839 487 Q CB -0.200 28.296 28.738 -0.402 0.000 0.906 487 Q HN 0.405 nan 8.270 nan 0.000 0.423 488 D N 1.427 121.696 120.400 -0.217 0.000 2.662 488 D HA 0.073 4.713 4.640 -0.000 0.000 0.228 488 D C -0.388 175.871 176.300 -0.068 0.000 1.093 488 D CA 0.228 54.197 54.000 -0.052 0.000 1.075 488 D CB -0.250 40.632 40.800 0.136 0.000 1.122 488 D HN 0.168 nan 8.370 nan 0.000 0.475 489 S N -1.841 113.799 115.700 -0.099 0.000 2.655 489 S HA 0.725 5.195 4.470 -0.000 0.000 0.266 489 S C 0.028 174.620 174.600 -0.013 0.000 1.149 489 S CA -0.989 57.190 58.200 -0.035 0.000 0.818 489 S CB 1.399 64.346 63.200 -0.421 0.000 1.130 489 S HN 0.203 nan 8.310 nan 0.000 0.476 490 G N -0.486 108.334 108.800 0.034 0.000 2.753 490 G HA2 0.569 4.529 3.960 -0.000 0.000 0.285 490 G HA3 0.569 4.529 3.960 -0.000 0.000 0.285 490 G C 0.618 175.521 174.900 0.005 0.000 1.344 490 G CA -1.105 44.008 45.100 0.023 0.000 1.050 490 G HN 0.749 nan 8.290 nan 0.000 0.532 491 L N -0.826 120.404 121.223 0.011 0.000 2.187 491 L HA 0.007 4.347 4.340 -0.000 0.000 0.213 491 L C 0.837 177.721 176.870 0.024 0.000 1.100 491 L CA 1.307 56.153 54.840 0.010 0.000 0.765 491 L CB -0.319 41.748 42.059 0.013 0.000 0.904 491 L HN 0.439 nan 8.230 nan 0.000 0.437 492 E N -0.633 119.589 120.200 0.037 0.000 2.210 492 E HA 0.539 4.889 4.350 -0.000 0.000 0.266 492 E C -1.199 175.444 176.600 0.072 0.000 0.883 492 E CA -0.269 56.163 56.400 0.053 0.000 0.761 492 E CB 3.203 32.933 29.700 0.050 0.000 1.156 492 E HN -0.152 nan 8.360 nan 0.000 0.412 493 V N 3.211 123.174 119.914 0.083 0.000 2.852 493 V HA 0.346 4.466 4.120 -0.000 0.000 0.300 493 V C -1.915 174.270 176.094 0.152 0.000 1.205 493 V CA -0.767 61.605 62.300 0.119 0.000 0.940 493 V CB 2.149 33.993 31.823 0.037 0.000 1.047 493 V HN 0.634 nan 8.190 nan 0.000 0.429 494 N N 5.671 124.495 118.700 0.206 0.000 2.438 494 N HA 0.623 5.363 4.740 -0.000 0.000 0.282 494 N C -0.723 174.927 175.510 0.233 0.000 1.037 494 N CA -0.099 53.097 53.050 0.244 0.000 0.942 494 N CB 2.249 40.858 38.487 0.205 0.000 1.136 494 N HN 0.880 nan 8.380 nan 0.000 0.481 495 I N 0.772 121.440 120.570 0.163 0.000 2.828 495 I HA 0.525 4.695 4.170 -0.000 0.000 0.302 495 I C -1.413 174.708 176.117 0.007 0.000 1.101 495 I CA -0.839 60.517 61.300 0.092 0.000 1.031 495 I CB 1.917 39.923 38.000 0.010 0.000 1.231 495 I HN 0.065 nan 8.210 nan 0.000 0.427 496 V N 5.212 125.090 119.914 -0.061 0.000 2.532 496 V HA 0.408 4.528 4.120 -0.000 0.000 0.294 496 V C -0.304 175.711 176.094 -0.132 0.000 1.036 496 V CA -0.360 61.843 62.300 -0.161 0.000 0.876 496 V CB 2.012 33.577 31.823 -0.429 0.000 1.012 496 V HN 0.885 nan 8.190 nan 0.000 0.432 497 T N 0.602 115.112 114.554 -0.075 0.000 2.945 497 T HA 0.442 4.792 4.350 -0.000 0.000 0.286 497 T C 0.051 174.649 174.700 -0.171 0.000 1.025 497 T CA -0.640 61.434 62.100 -0.045 0.000 1.039 497 T CB 1.712 70.623 68.868 0.071 0.000 1.068 497 T HN 0.742 nan 8.240 nan 0.000 0.497 498 D N -0.188 120.136 120.400 -0.126 0.000 2.722 498 D HA 0.159 4.799 4.640 -0.000 0.000 0.239 498 D C -0.332 176.006 176.300 0.062 0.000 1.249 498 D CA -0.658 53.215 54.000 -0.212 0.000 0.830 498 D CB -0.466 40.230 40.800 -0.174 0.000 1.025 498 D HN 0.512 nan 8.370 nan 0.000 0.486 499 S N -1.154 114.712 115.700 0.277 0.000 2.652 499 S HA 0.199 4.669 4.470 -0.000 0.000 0.273 499 S C 0.482 175.292 174.600 0.350 0.000 1.172 499 S CA -0.781 57.621 58.200 0.337 0.000 1.009 499 S CB 1.575 64.904 63.200 0.214 0.000 1.094 499 S HN -0.008 nan 8.310 nan 0.000 0.471 500 Q N 1.133 121.057 119.800 0.208 0.000 2.297 500 Q HA -0.070 4.270 4.340 -0.000 0.000 0.204 500 Q C 1.226 177.213 176.000 -0.021 0.000 0.962 500 Q CA 1.304 57.052 55.803 -0.092 0.000 0.879 500 Q CB -0.282 28.287 28.738 -0.282 0.000 0.947 500 Q HN 0.878 nan 8.270 nan 0.000 0.462 501 Y N 1.394 121.669 120.300 -0.043 0.000 2.036 501 Y HA -0.282 4.268 4.550 -0.000 0.000 0.273 501 Y C 2.320 178.194 175.900 -0.043 0.000 1.135 501 Y CA 1.749 59.821 58.100 -0.048 0.000 1.106 501 Y CB -0.705 37.749 38.460 -0.011 0.000 0.976 501 Y HN 0.045 nan 8.280 nan 0.000 0.483 502 A N 0.509 123.294 122.820 -0.059 0.000 1.908 502 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 502 A C 2.259 179.763 177.584 -0.133 0.000 1.181 502 A CA 1.856 53.791 52.037 -0.170 0.000 0.627 502 A CB -1.438 17.590 19.000 0.048 0.000 0.818 502 A HN 0.652 nan 8.150 nan 0.000 0.445 503 L N 0.209 121.403 121.223 -0.049 0.000 1.990 503 L HA -0.115 4.225 4.340 -0.000 0.000 0.213 503 L C 2.401 179.197 176.870 -0.123 0.000 1.072 503 L CA 2.733 57.539 54.840 -0.057 0.000 0.755 503 L CB -1.230 40.803 42.059 -0.043 0.000 0.889 503 L HN 0.305 nan 8.230 nan 0.000 0.432 504 G N -0.080 108.609 108.800 -0.186 0.000 2.514 504 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 504 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 504 G C 1.620 176.416 174.900 -0.174 0.000 1.198 504 G CA 1.422 46.388 45.100 -0.223 0.000 0.780 504 G HN 0.535 nan 8.290 nan 0.000 0.565 505 I N 0.676 121.072 120.570 -0.289 0.000 2.113 505 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 505 I C 2.757 178.821 176.117 -0.089 0.000 1.064 505 I CA 1.265 62.373 61.300 -0.319 0.000 1.320 505 I CB -0.356 37.340 38.000 -0.507 0.000 1.028 505 I HN 0.180 nan 8.210 nan 0.000 0.406 506 I N 0.001 120.543 120.570 -0.047 0.000 2.252 506 I HA -0.266 3.904 4.170 -0.000 0.000 0.245 506 I C 2.686 178.864 176.117 0.102 0.000 1.102 506 I CA 1.088 62.431 61.300 0.071 0.000 1.385 506 I CB -0.547 37.488 38.000 0.060 0.000 1.064 506 I HN 0.321 nan 8.210 nan 0.000 0.414 507 Q N 0.762 120.593 119.800 0.050 0.000 2.197 507 Q HA -0.209 4.131 4.340 -0.000 0.000 0.207 507 Q C 2.265 178.393 176.000 0.215 0.000 0.984 507 Q CA 1.845 57.698 55.803 0.084 0.000 0.869 507 Q CB -0.429 28.318 28.738 0.015 0.000 0.906 507 Q HN 0.594 nan 8.270 nan 0.000 0.426 508 A N 0.384 123.370 122.820 0.276 0.000 2.239 508 A HA -0.080 4.240 4.320 -0.000 0.000 0.209 508 A C 0.426 178.178 177.584 0.280 0.000 1.171 508 A CA 0.210 52.492 52.037 0.409 0.000 0.768 508 A CB -0.194 19.072 19.000 0.443 0.000 0.790 508 A HN 0.452 nan 8.150 nan 0.000 0.478 509 Q N -1.983 117.921 119.800 0.173 0.000 2.452 509 Q HA -0.146 4.194 4.340 -0.000 0.000 0.318 509 Q C -2.248 173.863 176.000 0.186 0.000 1.386 509 Q CA 0.206 56.034 55.803 0.042 0.000 0.872 509 Q CB -1.899 26.759 28.738 -0.133 0.000 1.151 509 Q HN 0.444 nan 8.270 nan 0.000 0.417 510 P HA -0.074 nan 4.420 nan 0.000 0.260 510 P C 0.082 177.549 177.300 0.280 0.000 1.185 510 P CA 0.307 63.566 63.100 0.264 0.000 0.763 510 P CB 0.631 32.513 31.700 0.303 0.000 0.776 511 D N 2.509 123.014 120.400 0.175 0.000 2.103 511 D HA -0.027 4.613 4.640 -0.000 0.000 0.199 511 D C 0.681 177.076 176.300 0.157 0.000 0.978 511 D CA 1.668 55.775 54.000 0.178 0.000 0.829 511 D CB 0.267 41.097 40.800 0.052 0.000 0.981 511 D HN 0.261 nan 8.370 nan 0.000 0.464 512 K N -1.133 119.329 120.400 0.102 0.000 2.430 512 K HA 0.672 4.992 4.320 -0.000 0.000 0.268 512 K C -0.892 175.711 176.600 0.004 0.000 1.043 512 K CA -0.720 55.601 56.287 0.057 0.000 0.899 512 K CB 2.072 34.602 32.500 0.050 0.000 1.472 512 K HN -0.045 nan 8.250 nan 0.000 0.451 513 S N -0.769 114.891 115.700 -0.067 0.000 2.587 513 S HA 0.224 4.694 4.470 -0.000 0.000 0.269 513 S C -0.326 174.173 174.600 -0.169 0.000 1.154 513 S CA -0.433 57.641 58.200 -0.210 0.000 0.824 513 S CB 1.151 64.110 63.200 -0.401 0.000 1.118 513 S HN 0.528 nan 8.310 nan 0.000 0.462 514 E N 0.822 120.897 120.200 -0.209 0.000 2.216 514 E HA 0.036 4.386 4.350 -0.000 0.000 0.192 514 E C 0.255 176.789 176.600 -0.110 0.000 0.988 514 E CA 0.414 56.744 56.400 -0.117 0.000 0.834 514 E CB 0.079 29.727 29.700 -0.086 0.000 0.772 514 E HN 0.361 nan 8.360 nan 0.000 0.479 515 S N 1.246 116.842 115.700 -0.174 0.000 2.405 515 S HA -0.004 4.466 4.470 -0.000 0.000 0.291 515 S C 1.023 175.569 174.600 -0.089 0.000 1.137 515 S CA -0.458 57.681 58.200 -0.101 0.000 1.061 515 S CB 0.368 63.530 63.200 -0.064 0.000 1.001 515 S HN 0.076 nan 8.310 nan 0.000 0.507 516 E N 3.390 123.549 120.200 -0.068 0.000 2.070 516 E HA -0.182 4.168 4.350 -0.000 0.000 0.197 516 E C 1.840 178.364 176.600 -0.126 0.000 1.004 516 E CA 1.114 57.466 56.400 -0.079 0.000 0.805 516 E CB -0.329 29.336 29.700 -0.058 0.000 0.744 516 E HN 0.726 nan 8.360 nan 0.000 0.451 517 L N 0.779 121.926 121.223 -0.127 0.000 2.013 517 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 517 L C 2.359 179.102 176.870 -0.211 0.000 1.073 517 L CA 1.469 56.179 54.840 -0.218 0.000 0.753 517 L CB -0.715 41.275 42.059 -0.115 0.000 0.890 517 L HN -0.075 nan 8.230 nan 0.000 0.432 518 V N 0.332 120.196 119.914 -0.084 0.000 2.407 518 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 518 V C 2.410 178.467 176.094 -0.061 0.000 1.055 518 V CA 1.879 64.165 62.300 -0.023 0.000 1.049 518 V CB -0.936 30.944 31.823 0.094 0.000 0.662 518 V HN 0.523 nan 8.190 nan 0.000 0.455 519 N N -0.222 118.424 118.700 -0.089 0.000 2.120 519 N HA -0.147 4.593 4.740 -0.000 0.000 0.188 519 N C 1.906 177.349 175.510 -0.112 0.000 1.024 519 N CA 1.095 54.099 53.050 -0.076 0.000 0.852 519 N CB -0.381 38.068 38.487 -0.065 0.000 1.003 519 N HN 0.442 nan 8.380 nan 0.000 0.424 520 Q N 0.734 120.413 119.800 -0.203 0.000 2.030 520 Q HA -0.067 4.273 4.340 -0.000 0.000 0.204 520 Q C 2.288 178.161 176.000 -0.212 0.000 0.986 520 Q CA 1.019 56.648 55.803 -0.291 0.000 0.843 520 Q CB -0.597 27.695 28.738 -0.744 0.000 0.904 520 Q HN 0.478 nan 8.270 nan 0.000 0.420 521 I N 0.402 120.800 120.570 -0.286 0.000 2.423 521 I HA -0.266 3.904 4.170 -0.000 0.000 0.254 521 I C 2.189 178.266 176.117 -0.066 0.000 1.151 521 I CA 0.896 62.153 61.300 -0.072 0.000 1.421 521 I CB -0.281 37.682 38.000 -0.061 0.000 1.079 521 I HN 0.137 nan 8.210 nan 0.000 0.431 522 I N 0.261 120.771 120.570 -0.100 0.000 2.277 522 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 522 I C 2.601 178.596 176.117 -0.202 0.000 1.094 522 I CA 1.007 62.202 61.300 -0.176 0.000 1.393 522 I CB -0.404 37.544 38.000 -0.086 0.000 1.078 522 I HN 0.219 nan 8.210 nan 0.000 0.417 523 E N 0.908 121.044 120.200 -0.108 0.000 2.114 523 E HA -0.294 4.056 4.350 -0.000 0.000 0.199 523 E C 2.202 178.746 176.600 -0.093 0.000 1.008 523 E CA 1.501 57.847 56.400 -0.089 0.000 0.810 523 E CB 0.127 29.804 29.700 -0.038 0.000 0.739 523 E HN 0.418 nan 8.360 nan 0.000 0.456 524 Q N 0.314 120.086 119.800 -0.046 0.000 2.020 524 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 524 Q C 2.580 178.515 176.000 -0.109 0.000 0.982 524 Q CA 1.099 56.876 55.803 -0.043 0.000 0.838 524 Q CB -0.548 28.201 28.738 0.018 0.000 0.899 524 Q HN 0.416 nan 8.270 nan 0.000 0.423 525 L N 1.000 122.115 121.223 -0.181 0.000 2.089 525 L HA -0.209 4.131 4.340 -0.000 0.000 0.213 525 L C 2.455 179.154 176.870 -0.286 0.000 1.079 525 L CA 1.245 55.918 54.840 -0.279 0.000 0.758 525 L CB -0.740 40.976 42.059 -0.571 0.000 0.891 525 L HN 0.298 nan 8.230 nan 0.000 0.433 526 I N -3.376 117.010 120.570 -0.307 0.000 2.761 526 I HA -0.163 4.007 4.170 -0.000 0.000 0.261 526 I C 2.199 178.252 176.117 -0.106 0.000 1.198 526 I CA 1.131 62.326 61.300 -0.175 0.000 1.482 526 I CB -0.322 37.554 38.000 -0.205 0.000 1.100 526 I HN 0.124 nan 8.210 nan 0.000 0.445 527 K N 1.305 121.643 120.400 -0.104 0.000 2.137 527 K HA 0.083 4.403 4.320 -0.000 0.000 0.202 527 K C 0.766 177.341 176.600 -0.042 0.000 1.052 527 K CA 0.360 56.604 56.287 -0.072 0.000 0.961 527 K CB 0.022 32.482 32.500 -0.068 0.000 0.741 527 K HN 0.193 nan 8.250 nan 0.000 0.452 528 K N 1.211 121.590 120.400 -0.035 0.000 2.188 528 K HA -0.066 4.254 4.320 -0.000 0.000 0.246 528 K C 0.996 177.605 176.600 0.014 0.000 1.026 528 K CA 0.588 56.868 56.287 -0.011 0.000 0.871 528 K CB 0.580 33.076 32.500 -0.008 0.000 1.042 528 K HN 0.142 nan 8.250 nan 0.000 0.509 529 E N 0.273 120.488 120.200 0.025 0.000 2.372 529 E HA 0.028 4.378 4.350 -0.000 0.000 0.201 529 E C -0.595 176.039 176.600 0.055 0.000 0.938 529 E CA 0.474 56.896 56.400 0.036 0.000 0.944 529 E CB 0.574 30.290 29.700 0.026 0.000 0.937 529 E HN 0.292 nan 8.360 nan 0.000 0.495 530 K N 0.603 121.041 120.400 0.062 0.000 2.589 530 K HA 0.341 4.661 4.320 -0.000 0.000 0.253 530 K C -1.745 174.912 176.600 0.096 0.000 0.974 530 K CA -0.470 55.866 56.287 0.081 0.000 0.835 530 K CB 2.686 35.228 32.500 0.069 0.000 1.272 530 K HN -0.148 nan 8.250 nan 0.000 0.444 531 V N 2.695 122.685 119.914 0.126 0.000 2.735 531 V HA 0.455 4.575 4.120 -0.000 0.000 0.310 531 V C -1.494 174.717 176.094 0.196 0.000 1.061 531 V CA -0.902 61.479 62.300 0.136 0.000 0.913 531 V CB 1.920 33.812 31.823 0.115 0.000 1.005 531 V HN 0.769 nan 8.190 nan 0.000 0.428 532 Y N 5.039 125.368 120.300 0.048 0.000 2.344 532 Y HA 0.660 5.210 4.550 -0.000 0.000 0.328 532 Y C -1.270 174.654 175.900 0.040 0.000 1.067 532 Y CA -0.829 57.298 58.100 0.045 0.000 1.247 532 Y CB 1.516 40.000 38.460 0.040 0.000 1.113 532 Y HN 0.599 nan 8.280 nan 0.000 0.465 533 L N 6.271 127.329 121.223 -0.275 0.000 2.260 533 L HA 0.871 5.211 4.340 -0.000 0.000 0.289 533 L C -0.578 176.053 176.870 -0.400 0.000 1.057 533 L CA -0.091 54.616 54.840 -0.222 0.000 0.811 533 L CB 0.305 42.306 42.059 -0.097 0.000 1.184 533 L HN 0.705 nan 8.230 nan 0.000 0.429 534 A N 4.644 127.309 122.820 -0.259 0.000 2.346 534 A HA 0.775 5.095 4.320 -0.000 0.000 0.313 534 A C -1.837 175.761 177.584 0.023 0.000 1.140 534 A CA -0.609 51.331 52.037 -0.162 0.000 0.826 534 A CB 0.844 19.822 19.000 -0.037 0.000 1.332 534 A HN 0.827 nan 8.150 nan 0.000 0.457 535 W N 0.518 121.751 121.300 -0.112 0.000 2.883 535 W HA 0.569 5.229 4.660 -0.000 0.000 0.335 535 W C -1.360 175.124 176.519 -0.058 0.000 1.083 535 W CA -0.615 56.679 57.345 -0.085 0.000 1.233 535 W CB 1.919 31.329 29.460 -0.084 0.000 1.412 535 W HN 0.872 nan 8.180 nan 0.000 0.490 536 V N 3.174 122.388 119.914 -1.166 0.000 2.789 536 V HA 0.666 4.786 4.120 -0.000 0.000 0.311 536 V C -2.758 172.410 176.094 -1.542 0.000 1.073 536 V CA -3.119 58.508 62.300 -1.121 0.000 0.921 536 V CB 1.689 33.212 31.823 -0.499 0.000 1.009 536 V HN 0.497 nan 8.190 nan 0.000 0.426 537 P HA 0.233 nan 4.420 nan 0.000 0.257 537 P C 0.315 177.410 177.300 -0.342 0.000 1.189 537 P CA 0.816 63.587 63.100 -0.547 0.000 0.780 537 P CB 0.229 31.810 31.700 -0.198 0.000 0.772 538 A N 3.651 126.299 122.820 -0.286 0.000 2.492 538 A HA 0.031 4.351 4.320 -0.000 0.000 0.236 538 A C 0.786 178.249 177.584 -0.203 0.000 1.078 538 A CA 0.543 52.392 52.037 -0.313 0.000 0.773 538 A CB -0.849 17.908 19.000 -0.404 0.000 1.023 538 A HN 0.862 nan 8.150 nan 0.000 0.504 539 H N -1.486 117.566 119.070 -0.029 0.000 3.906 539 H HA -0.168 4.388 4.556 -0.000 0.000 0.179 539 H C 0.195 175.513 175.328 -0.016 0.000 0.941 539 H CA 1.704 57.744 56.048 -0.013 0.000 1.232 539 H CB -1.222 28.541 29.762 0.001 0.000 1.037 539 H HN 0.703 nan 8.280 nan 0.000 0.362 540 K N 0.723 121.153 120.400 0.050 0.000 2.118 540 K HA 0.283 4.603 4.320 -0.000 0.000 0.264 540 K C 1.259 177.870 176.600 0.018 0.000 1.000 540 K CA 0.345 56.648 56.287 0.028 0.000 0.929 540 K CB 0.933 33.429 32.500 -0.006 0.000 1.021 540 K HN 0.293 nan 8.250 nan 0.000 0.463 541 G N 2.647 111.459 108.800 0.021 0.000 3.229 541 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.214 541 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.214 541 G C 0.398 175.306 174.900 0.014 0.000 1.256 541 G CA -0.156 44.955 45.100 0.018 0.000 1.042 541 G HN 0.492 nan 8.290 nan 0.000 0.497 542 I N 1.691 122.266 120.570 0.008 0.000 2.741 542 I HA 0.040 4.210 4.170 -0.000 0.000 0.288 542 I C 1.567 177.719 176.117 0.058 0.000 1.192 542 I CA -0.194 61.118 61.300 0.019 0.000 1.426 542 I CB 0.199 38.188 38.000 -0.019 0.000 1.367 542 I HN 0.148 nan 8.210 nan 0.000 0.563 543 G N 4.271 113.111 108.800 0.066 0.000 2.391 543 G HA2 0.273 4.233 3.960 -0.000 0.000 0.234 543 G HA3 0.273 4.233 3.960 -0.000 0.000 0.234 543 G C 1.104 176.042 174.900 0.063 0.000 1.284 543 G CA 0.183 45.305 45.100 0.037 0.000 0.873 543 G HN 1.183 nan 8.290 nan 0.000 0.549 544 G N 2.168 110.880 108.800 -0.146 0.000 2.507 544 G HA2 -0.448 3.512 3.960 -0.000 0.000 0.240 544 G HA3 -0.448 3.512 3.960 -0.000 0.000 0.240 544 G C 1.508 176.468 174.900 0.101 0.000 1.119 544 G CA 1.292 46.172 45.100 -0.366 0.000 0.664 544 G HN 0.996 nan 8.290 nan 0.000 0.516 545 N N 1.094 119.951 118.700 0.262 0.000 2.062 545 N HA -0.049 4.691 4.740 -0.000 0.000 0.191 545 N C 1.957 177.509 175.510 0.071 0.000 1.042 545 N CA 2.255 55.407 53.050 0.169 0.000 0.845 545 N CB -0.494 38.038 38.487 0.074 0.000 1.024 545 N HN 0.648 nan 8.380 nan 0.000 0.424 546 E N -0.305 119.920 120.200 0.042 0.000 2.171 546 E HA -0.287 4.063 4.350 -0.000 0.000 0.197 546 E C 1.747 178.360 176.600 0.022 0.000 0.997 546 E CA 1.249 57.666 56.400 0.029 0.000 0.810 546 E CB -0.016 29.696 29.700 0.020 0.000 0.738 546 E HN 0.584 nan 8.360 nan 0.000 0.467 547 Q N -0.212 119.593 119.800 0.009 0.000 1.969 547 Q HA -0.115 4.225 4.340 -0.000 0.000 0.198 547 Q C 2.399 178.407 176.000 0.013 0.000 0.978 547 Q CA 1.673 57.472 55.803 -0.007 0.000 0.830 547 Q CB -0.030 28.679 28.738 -0.047 0.000 0.896 547 Q HN 0.219 nan 8.270 nan 0.000 0.431 548 V N 1.853 121.792 119.914 0.042 0.000 2.568 548 V HA -0.255 3.865 4.120 -0.000 0.000 0.253 548 V C 1.850 177.975 176.094 0.052 0.000 1.072 548 V CA 1.932 64.269 62.300 0.062 0.000 1.084 548 V CB -0.752 31.147 31.823 0.127 0.000 0.676 548 V HN 0.400 nan 8.190 nan 0.000 0.469 549 D N 0.708 121.136 120.400 0.046 0.000 2.087 549 D HA -0.213 4.427 4.640 -0.000 0.000 0.192 549 D C 2.182 178.507 176.300 0.041 0.000 0.993 549 D CA 1.736 55.761 54.000 0.042 0.000 0.828 549 D CB -0.132 40.694 40.800 0.043 0.000 0.968 549 D HN 0.395 nan 8.370 nan 0.000 0.448 550 K N -0.263 120.156 120.400 0.031 0.000 2.057 550 K HA -0.057 4.263 4.320 -0.000 0.000 0.207 550 K C 2.383 178.994 176.600 0.017 0.000 1.049 550 K CA 0.803 57.104 56.287 0.023 0.000 0.931 550 K CB -0.199 32.309 32.500 0.013 0.000 0.714 550 K HN 0.256 nan 8.250 nan 0.000 0.440 551 L N 1.047 122.277 121.223 0.012 0.000 2.079 551 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 551 L C 2.358 179.236 176.870 0.014 0.000 1.081 551 L CA 1.130 55.972 54.840 0.004 0.000 0.752 551 L CB -0.823 41.231 42.059 -0.007 0.000 0.896 551 L HN 0.118 nan 8.230 nan 0.000 0.433 552 V N -3.722 116.209 119.914 0.028 0.000 3.306 552 V HA 0.067 4.187 4.120 -0.000 0.000 0.264 552 V C 1.321 177.435 176.094 0.033 0.000 1.149 552 V CA 0.198 62.519 62.300 0.035 0.000 1.143 552 V CB -0.715 31.138 31.823 0.049 0.000 0.767 552 V HN 0.397 nan 8.190 nan 0.000 0.476 553 S N 0.908 116.627 115.700 0.031 0.000 2.601 553 S HA 0.804 5.274 4.470 -0.000 0.000 0.271 553 S C 0.076 174.689 174.600 0.021 0.000 1.305 553 S CA 0.001 58.219 58.200 0.030 0.000 1.022 553 S CB 1.588 64.807 63.200 0.032 0.000 0.940 553 S HN 1.053 nan 8.310 nan 0.000 0.525 554 A N 0.000 122.832 122.820 0.020 0.000 2.254 554 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 554 A CA 0.000 52.046 52.037 0.015 0.000 0.836 554 A CB 0.000 19.009 19.000 0.015 0.000 0.831 554 A HN 0.000 nan 8.150 nan 0.000 0.486