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 1suq_1_A DATA FIRST_RESID 1 DATA SEQUENCE PISPIETVPV KLKPGMDGPK VKQWPLTEEK IKALVEICTE MEKEGKISKI DATA SEQUENCE GPENPYNTPV FAIKKKDSTK WRKLVDFREL NKRTQDFWEV QLGIPHPAGL DATA SEQUENCE KKKKSVTVLD VGDAYFSVPL DEDFRKYTAF TIPSINNETP GIRYQYNVLP DATA SEQUENCE QGWKGSPAIF QSSMTKILEP FKKQNPDIVI YQYMDDLYVG SDLEIGQHRT DATA SEQUENCE KIEELRQHLL RWGLTTPDKK HQKEPPFLWM GYELHPDKWT VQPIVLPEKD DATA SEQUENCE SWTVNDIQKL VGKLNWASQI YPGIKVRQLS KLLRGTKALT EVIPLTEEAE DATA SEQUENCE LELAENREIL KEPVHGVYYD PSKDLIAEIQ KQGQGQWTYQ IYQEPFKNLK DATA SEQUENCE TGKYARMRGA HTNDVKQLTE AVQKITTESI VIWGKTPKFK LPIQKETWET DATA SEQUENCE WWTEYWQATW IPEWEFVNTP PLVKLWYQLE KEPIVGAETF YVDGAANRET DATA SEQUENCE KLGKAGYVTN KGRQKVVPLT NTTNQKTELQ AIYLALQDSG LEVNIVTDSQ DATA SEQUENCE YALGIIQAQP DKSESELVNQ IIEQLIKKEK VYLAWVPAHK GIGGNEQVDK DATA SEQUENCE LV 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 0.000 177.343 177.300 0.072 0.000 1.155 1 P CA 0.000 63.124 63.100 0.040 0.000 0.800 1 P CB 0.000 31.713 31.700 0.021 0.000 0.726 2 I N 0.533 121.146 120.570 0.072 0.000 2.656 2 I HA 0.462 4.632 4.170 -0.000 0.000 0.292 2 I C -0.384 175.789 176.117 0.093 0.000 1.144 2 I CA -0.671 60.684 61.300 0.092 0.000 1.038 2 I CB 2.464 40.514 38.000 0.083 0.000 1.244 2 I HN -0.021 nan 8.210 nan 0.000 0.420 3 S N 4.988 120.764 115.700 0.127 0.000 2.681 3 S HA 0.627 5.097 4.470 -0.000 0.000 0.299 3 S C -2.382 172.308 174.600 0.149 0.000 1.113 3 S CA -1.271 57.022 58.200 0.154 0.000 1.013 3 S CB 1.816 65.174 63.200 0.264 0.000 1.076 3 S HN 0.529 nan 8.310 nan 0.000 0.534 4 P HA 0.369 nan 4.420 nan 0.000 0.236 4 P C -0.534 176.903 177.300 0.228 0.000 1.749 4 P CA -0.243 62.937 63.100 0.134 0.000 0.994 4 P CB -0.439 31.292 31.700 0.051 0.000 1.599 5 I N 0.088 120.811 120.570 0.256 0.000 2.575 5 I HA 0.101 4.271 4.170 -0.000 0.000 0.285 5 I C 1.265 177.470 176.117 0.147 0.000 1.085 5 I CA -0.448 60.990 61.300 0.230 0.000 1.403 5 I CB 0.615 38.715 38.000 0.167 0.000 1.409 5 I HN 0.063 nan 8.210 nan 0.000 0.557 6 E N 4.102 124.374 120.200 0.121 0.000 2.418 6 E HA 0.045 4.395 4.350 -0.000 0.000 0.261 6 E C -0.460 176.189 176.600 0.082 0.000 1.070 6 E CA -0.375 56.079 56.400 0.091 0.000 0.931 6 E CB 0.787 30.530 29.700 0.073 0.000 0.954 6 E HN 0.665 nan 8.360 nan 0.000 0.439 7 T N -0.235 114.367 114.554 0.080 0.000 2.829 7 T HA 0.309 4.659 4.350 -0.000 0.000 0.282 7 T C -0.097 174.652 174.700 0.081 0.000 0.990 7 T CA -1.010 61.140 62.100 0.084 0.000 1.028 7 T CB 1.388 70.309 68.868 0.088 0.000 0.951 7 T HN 0.192 nan 8.240 nan 0.000 0.460 8 V N 6.429 126.398 119.914 0.092 0.000 2.400 8 V HA 0.198 4.318 4.120 -0.000 0.000 0.263 8 V C -1.484 174.672 176.094 0.103 0.000 1.026 8 V CA -1.338 61.021 62.300 0.099 0.000 1.077 8 V CB -0.462 31.443 31.823 0.136 0.000 1.054 8 V HN 0.828 nan 8.190 nan 0.000 0.477 9 P HA 0.069 nan 4.420 nan 0.000 0.262 9 P C -0.609 176.721 177.300 0.049 0.000 1.182 9 P CA 0.388 63.529 63.100 0.069 0.000 0.761 9 P CB 1.099 32.830 31.700 0.051 0.000 0.795 10 V N 4.360 124.289 119.914 0.026 0.000 2.864 10 V HA 0.510 4.630 4.120 -0.000 0.000 0.314 10 V C 0.383 176.407 176.094 -0.116 0.000 1.073 10 V CA -0.635 61.600 62.300 -0.109 0.000 0.956 10 V CB 2.231 33.886 31.823 -0.280 0.000 1.023 10 V HN 0.515 nan 8.190 nan 0.000 0.435 11 K N 2.110 122.412 120.400 -0.164 0.000 2.482 11 K HA 0.699 5.019 4.320 -0.000 0.000 0.257 11 K C -1.539 175.077 176.600 0.027 0.000 0.969 11 K CA -0.819 55.465 56.287 -0.006 0.000 0.842 11 K CB 2.645 35.131 32.500 -0.023 0.000 1.359 11 K HN 0.412 nan 8.250 nan 0.000 0.441 12 L N 2.089 123.364 121.223 0.086 0.000 2.379 12 L HA 0.344 4.684 4.340 -0.000 0.000 0.269 12 L C 0.263 177.132 176.870 -0.003 0.000 1.084 12 L CA -0.692 54.176 54.840 0.047 0.000 0.802 12 L CB 0.837 42.839 42.059 -0.094 0.000 1.175 12 L HN 0.428 nan 8.230 nan 0.000 0.448 13 K N 2.593 122.988 120.400 -0.007 0.000 2.580 13 K HA -0.077 4.243 4.320 -0.000 0.000 0.278 13 K C -1.403 175.193 176.600 -0.008 0.000 0.960 13 K CA -0.745 55.530 56.287 -0.019 0.000 0.988 13 K CB -0.173 32.320 32.500 -0.011 0.000 0.887 13 K HN 0.445 nan 8.250 nan 0.000 0.509 14 P HA -0.336 nan 4.420 nan 0.000 0.218 14 P C 1.068 178.377 177.300 0.014 0.000 1.018 14 P CA 2.562 65.661 63.100 -0.000 0.000 1.016 14 P CB -0.078 31.620 31.700 -0.003 0.000 0.748 15 G N -1.667 107.144 108.800 0.019 0.000 2.673 15 G HA2 0.169 4.129 3.960 -0.000 0.000 0.208 15 G HA3 0.169 4.129 3.960 -0.000 0.000 0.208 15 G C 1.013 175.937 174.900 0.041 0.000 1.128 15 G CA 0.074 45.193 45.100 0.030 0.000 0.805 15 G HN 0.212 nan 8.290 nan 0.000 0.526 16 M N 0.593 120.215 119.600 0.036 0.000 2.154 16 M HA 0.184 4.664 4.480 -0.000 0.000 0.269 16 M C -0.207 176.125 176.300 0.053 0.000 1.109 16 M CA 0.824 56.151 55.300 0.044 0.000 1.071 16 M CB 0.059 32.679 32.600 0.033 0.000 1.319 16 M HN 0.181 nan 8.290 nan 0.000 0.402 17 D N -0.963 119.481 120.400 0.074 0.000 2.661 17 D HA 0.455 5.095 4.640 -0.000 0.000 0.228 17 D C -0.424 175.931 176.300 0.092 0.000 1.210 17 D CA -0.213 53.853 54.000 0.110 0.000 0.826 17 D CB 1.370 42.299 40.800 0.215 0.000 1.542 17 D HN 0.758 nan 8.370 nan 0.000 0.447 18 G N 1.983 110.761 108.800 -0.036 0.000 2.469 18 G HA2 0.168 4.128 3.960 -0.000 0.000 0.229 18 G HA3 0.168 4.128 3.960 -0.000 0.000 0.229 18 G C -2.076 172.966 174.900 0.237 0.000 1.222 18 G CA -0.671 44.356 45.100 -0.121 0.000 0.861 18 G HN 0.480 nan 8.290 nan 0.000 0.538 19 P HA 0.228 nan 4.420 nan 0.000 0.275 19 P C -0.553 176.916 177.300 0.282 0.000 1.227 19 P CA -0.173 63.068 63.100 0.236 0.000 0.781 19 P CB 1.188 33.001 31.700 0.188 0.000 0.906 20 K N 1.489 122.006 120.400 0.195 0.000 2.896 20 K HA 0.219 4.538 4.320 -0.000 0.000 0.210 20 K C 0.373 177.017 176.600 0.073 0.000 1.116 20 K CA -0.447 55.924 56.287 0.141 0.000 1.050 20 K CB 0.640 33.211 32.500 0.118 0.000 0.812 20 K HN 0.330 nan 8.250 nan 0.000 0.462 21 V N -1.240 118.702 119.914 0.047 0.000 2.953 21 V HA 0.496 4.616 4.120 -0.000 0.000 0.304 21 V C -0.379 175.625 176.094 -0.149 0.000 1.073 21 V CA -0.485 61.796 62.300 -0.032 0.000 1.064 21 V CB 1.250 33.062 31.823 -0.018 0.000 1.047 21 V HN 0.107 nan 8.190 nan 0.000 0.478 22 K N 1.339 121.532 120.400 -0.344 0.000 2.469 22 K HA 0.755 5.075 4.320 -0.000 0.000 0.268 22 K C -1.446 174.654 176.600 -0.833 0.000 1.027 22 K CA -0.701 55.127 56.287 -0.766 0.000 0.893 22 K CB 1.625 33.214 32.500 -1.518 0.000 1.460 22 K HN 0.666 nan 8.250 nan 0.000 0.449 23 Q N 0.576 119.728 119.800 -1.079 0.000 2.313 23 Q HA 0.256 4.596 4.340 -0.000 0.000 0.255 23 Q C -1.159 174.478 176.000 -0.606 0.000 0.944 23 Q CA -0.241 55.163 55.803 -0.665 0.000 0.881 23 Q CB 1.280 29.716 28.738 -0.503 0.000 1.375 23 Q HN 0.756 nan 8.270 nan 0.000 0.422 24 W N 2.896 124.153 121.300 -0.071 0.000 2.128 24 W HA 0.230 4.890 4.660 -0.000 0.000 0.356 24 W C -1.975 174.514 176.519 -0.051 0.000 0.891 24 W CA -0.932 56.380 57.345 -0.056 0.000 2.408 24 W CB 0.944 30.383 29.460 -0.035 0.000 1.234 24 W HN 0.335 nan 8.180 nan 0.000 0.597 25 P HA 0.353 nan 4.420 nan 0.000 0.291 25 P C -0.719 176.604 177.300 0.039 0.000 1.340 25 P CA -0.080 63.055 63.100 0.059 0.000 0.799 25 P CB 1.744 33.457 31.700 0.021 0.000 0.917 26 L N 3.349 124.600 121.223 0.047 0.000 2.272 26 L HA 0.294 4.634 4.340 -0.000 0.000 0.284 26 L C 0.771 177.655 176.870 0.024 0.000 1.045 26 L CA 0.264 55.124 54.840 0.034 0.000 0.842 26 L CB 0.688 42.769 42.059 0.036 0.000 1.224 26 L HN 0.256 nan 8.230 nan 0.000 0.430 27 T N 1.844 116.413 114.554 0.024 0.000 2.794 27 T HA 0.135 4.485 4.350 -0.000 0.000 0.304 27 T C 1.082 175.785 174.700 0.005 0.000 0.973 27 T CA -0.438 61.676 62.100 0.023 0.000 0.972 27 T CB 0.517 69.412 68.868 0.045 0.000 0.952 27 T HN 0.556 nan 8.240 nan 0.000 0.509 28 E N 2.363 122.560 120.200 -0.005 0.000 2.181 28 E HA -0.356 3.994 4.350 -0.000 0.000 0.225 28 E C 1.976 178.544 176.600 -0.053 0.000 1.073 28 E CA 2.212 58.598 56.400 -0.023 0.000 0.916 28 E CB -0.290 29.397 29.700 -0.022 0.000 0.793 28 E HN 0.921 nan 8.360 nan 0.000 0.472 29 E N 0.971 121.135 120.200 -0.060 0.000 2.273 29 E HA -0.267 4.083 4.350 -0.000 0.000 0.198 29 E C 1.629 178.101 176.600 -0.213 0.000 1.002 29 E CA 1.493 57.817 56.400 -0.126 0.000 0.828 29 E CB -0.104 29.548 29.700 -0.079 0.000 0.747 29 E HN 0.262 nan 8.360 nan 0.000 0.491 30 K N 0.168 120.502 120.400 -0.111 0.000 2.262 30 K HA 0.079 4.399 4.320 -0.000 0.000 0.200 30 K C 2.272 178.830 176.600 -0.070 0.000 1.058 30 K CA 0.670 56.895 56.287 -0.103 0.000 0.974 30 K CB -0.080 32.454 32.500 0.057 0.000 0.910 30 K HN 0.068 nan 8.250 nan 0.000 0.484 31 I N 2.713 123.265 120.570 -0.030 0.000 2.399 31 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 31 I C 2.209 178.311 176.117 -0.025 0.000 1.146 31 I CA 1.728 63.024 61.300 -0.006 0.000 1.412 31 I CB -0.540 37.461 38.000 0.003 0.000 1.076 31 I HN 0.255 nan 8.210 nan 0.000 0.432 32 K N 0.616 120.971 120.400 -0.074 0.000 1.991 32 K HA -0.083 4.237 4.320 -0.000 0.000 0.207 32 K C 2.432 178.958 176.600 -0.122 0.000 1.045 32 K CA 1.429 57.660 56.287 -0.092 0.000 0.937 32 K CB -0.692 31.729 32.500 -0.131 0.000 0.720 32 K HN 0.503 nan 8.250 nan 0.000 0.438 33 A N 2.276 124.955 122.820 -0.235 0.000 1.896 33 A HA -0.234 4.086 4.320 -0.000 0.000 0.220 33 A C 2.302 179.835 177.584 -0.085 0.000 1.206 33 A CA 2.043 53.902 52.037 -0.297 0.000 0.647 33 A CB -0.981 17.664 19.000 -0.593 0.000 0.828 33 A HN 0.391 nan 8.150 nan 0.000 0.455 34 L N -0.847 120.366 121.223 -0.017 0.000 1.976 34 L HA -0.156 4.184 4.340 -0.000 0.000 0.209 34 L C 2.491 179.411 176.870 0.082 0.000 1.071 34 L CA 1.398 56.272 54.840 0.056 0.000 0.746 34 L CB -0.739 41.369 42.059 0.082 0.000 0.890 34 L HN 0.266 nan 8.230 nan 0.000 0.432 35 V N -0.073 119.894 119.914 0.088 0.000 2.794 35 V HA -0.275 3.845 4.120 -0.000 0.000 0.260 35 V C 2.282 178.417 176.094 0.068 0.000 1.103 35 V CA 1.482 63.856 62.300 0.123 0.000 1.125 35 V CB -0.622 31.250 31.823 0.082 0.000 0.702 35 V HN 0.450 nan 8.190 nan 0.000 0.494 36 E N 0.040 120.250 120.200 0.017 0.000 2.004 36 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 36 E C 2.274 178.872 176.600 -0.003 0.000 0.987 36 E CA 1.336 57.731 56.400 -0.008 0.000 0.822 36 E CB -0.144 29.530 29.700 -0.042 0.000 0.779 36 E HN 0.382 nan 8.360 nan 0.000 0.458 37 I N 1.514 122.085 120.570 0.001 0.000 2.185 37 I HA -0.332 3.838 4.170 -0.000 0.000 0.246 37 I C 2.584 178.675 176.117 -0.044 0.000 1.088 37 I CA 1.089 62.381 61.300 -0.014 0.000 1.347 37 I CB -1.794 36.212 38.000 0.011 0.000 1.041 37 I HN 0.308 nan 8.210 nan 0.000 0.415 38 C N 0.992 120.280 119.300 -0.021 0.000 2.413 38 C HA -0.186 4.274 4.460 -0.000 0.000 0.276 38 C C 3.161 178.061 174.990 -0.149 0.000 1.236 38 C CA 1.795 60.744 59.018 -0.115 0.000 1.735 38 C CB -1.455 26.332 27.740 0.079 0.000 2.031 38 C HN 0.681 nan 8.230 nan 0.000 0.474 39 T N -0.677 113.862 114.554 -0.025 0.000 2.788 39 T HA -0.180 4.170 4.350 -0.000 0.000 0.268 39 T C 1.440 176.113 174.700 -0.045 0.000 1.044 39 T CA 1.860 63.952 62.100 -0.014 0.000 1.139 39 T CB -0.351 68.530 68.868 0.021 0.000 0.867 39 T HN 0.421 nan 8.240 nan 0.000 0.454 40 E N 0.015 120.185 120.200 -0.051 0.000 2.427 40 E HA 0.273 4.623 4.350 -0.000 0.000 0.196 40 E C 1.850 178.401 176.600 -0.081 0.000 1.028 40 E CA 0.282 56.649 56.400 -0.055 0.000 0.864 40 E CB -0.277 29.394 29.700 -0.049 0.000 0.813 40 E HN 0.616 nan 8.360 nan 0.000 0.514 41 M N -0.455 119.076 119.600 -0.114 0.000 2.155 41 M HA -0.046 4.434 4.480 -0.000 0.000 0.258 41 M C 2.134 178.355 176.300 -0.131 0.000 1.092 41 M CA 1.418 56.635 55.300 -0.138 0.000 1.153 41 M CB -0.038 32.454 32.600 -0.180 0.000 1.316 41 M HN 0.024 nan 8.290 nan 0.000 0.431 42 E N 0.402 120.487 120.200 -0.191 0.000 2.070 42 E HA -0.324 4.026 4.350 -0.000 0.000 0.197 42 E C 1.934 178.496 176.600 -0.064 0.000 1.004 42 E CA 1.882 58.195 56.400 -0.145 0.000 0.805 42 E CB -0.187 29.427 29.700 -0.143 0.000 0.744 42 E HN 0.418 nan 8.360 nan 0.000 0.451 43 K N 0.420 120.788 120.400 -0.053 0.000 2.044 43 K HA -0.211 4.109 4.320 -0.000 0.000 0.210 43 K C 1.481 178.066 176.600 -0.025 0.000 1.049 43 K CA 1.977 58.247 56.287 -0.029 0.000 0.927 43 K CB -0.067 32.417 32.500 -0.028 0.000 0.713 43 K HN 0.199 nan 8.250 nan 0.000 0.443 44 E N -0.753 119.426 120.200 -0.034 0.000 2.438 44 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 44 E C 0.706 177.306 176.600 0.001 0.000 1.110 44 E CA 0.263 56.651 56.400 -0.020 0.000 0.893 44 E CB -0.000 29.678 29.700 -0.036 0.000 0.990 44 E HN 0.628 nan 8.360 nan 0.000 0.490 45 G N 1.967 110.765 108.800 -0.004 0.000 2.216 45 G HA2 -0.413 3.547 3.960 -0.000 0.000 0.269 45 G HA3 -0.413 3.547 3.960 -0.000 0.000 0.269 45 G C 0.968 175.888 174.900 0.034 0.000 0.981 45 G CA 1.023 46.130 45.100 0.013 0.000 0.658 45 G HN 0.350 nan 8.290 nan 0.000 0.539 46 K N -0.099 120.330 120.400 0.047 0.000 2.515 46 K HA 0.246 4.566 4.320 -0.000 0.000 0.196 46 K C 1.334 177.974 176.600 0.067 0.000 1.038 46 K CA 1.263 57.629 56.287 0.131 0.000 0.967 46 K CB -0.059 32.585 32.500 0.240 0.000 0.780 46 K HN 0.859 nan 8.250 nan 0.000 0.483 47 I N -5.021 115.517 120.570 -0.054 0.000 3.263 47 I HA 0.385 4.555 4.170 -0.000 0.000 0.314 47 I C -1.446 174.615 176.117 -0.093 0.000 1.269 47 I CA -1.032 60.183 61.300 -0.143 0.000 0.942 47 I CB 2.530 40.319 38.000 -0.351 0.000 1.305 47 I HN -0.379 nan 8.210 nan 0.000 0.474 48 S N 1.215 116.891 115.700 -0.039 0.000 2.566 48 S HA 0.388 4.857 4.470 -0.000 0.000 0.273 48 S C -1.081 173.613 174.600 0.157 0.000 1.157 48 S CA -0.871 57.358 58.200 0.048 0.000 0.938 48 S CB 1.867 65.085 63.200 0.030 0.000 1.087 48 S HN 0.548 nan 8.310 nan 0.000 0.474 49 K N 2.256 122.802 120.400 0.243 0.000 2.484 49 K HA 0.217 4.537 4.320 -0.000 0.000 0.280 49 K C -0.298 176.307 176.600 0.010 0.000 1.013 49 K CA 0.387 56.753 56.287 0.130 0.000 1.029 49 K CB 0.440 32.983 32.500 0.071 0.000 0.902 49 K HN 0.543 nan 8.250 nan 0.000 0.481 50 I N 0.878 121.410 120.570 -0.062 0.000 2.474 50 I HA 0.323 4.493 4.170 -0.000 0.000 0.294 50 I C -0.039 176.036 176.117 -0.070 0.000 1.005 50 I CA -0.593 60.672 61.300 -0.059 0.000 1.113 50 I CB 1.479 39.438 38.000 -0.068 0.000 1.289 50 I HN 0.655 nan 8.210 nan 0.000 0.436 51 G N 7.418 116.187 108.800 -0.051 0.000 2.364 51 G HA2 0.321 4.281 3.960 -0.000 0.000 0.267 51 G HA3 0.321 4.281 3.960 -0.000 0.000 0.267 51 G C -2.345 172.522 174.900 -0.055 0.000 1.233 51 G CA -0.973 44.097 45.100 -0.051 0.000 0.885 51 G HN 0.586 nan 8.290 nan 0.000 0.490 52 P HA 0.027 nan 4.420 nan 0.000 0.253 52 P C -0.474 176.791 177.300 -0.058 0.000 1.170 52 P CA 0.700 63.765 63.100 -0.059 0.000 0.806 52 P CB 0.570 32.238 31.700 -0.053 0.000 0.775 53 E N 4.000 124.158 120.200 -0.070 0.000 2.667 53 E HA 0.142 4.492 4.350 -0.000 0.000 0.386 53 E C 0.162 176.702 176.600 -0.100 0.000 1.000 53 E CA -0.436 55.920 56.400 -0.072 0.000 0.722 53 E CB -0.728 28.941 29.700 -0.052 0.000 1.529 53 E HN 0.240 nan 8.360 nan 0.000 0.390 54 N N 1.759 120.370 118.700 -0.147 0.000 2.967 54 N HA -0.116 4.624 4.740 -0.000 0.000 0.218 54 N C -2.236 173.006 175.510 -0.447 0.000 0.870 54 N CA 1.740 54.638 53.050 -0.254 0.000 1.030 54 N CB -1.484 36.910 38.487 -0.155 0.000 1.027 54 N HN 0.543 nan 8.380 nan 0.000 0.603 55 P HA 0.086 nan 4.420 nan 0.000 0.271 55 P C -0.710 176.374 177.300 -0.360 0.000 1.228 55 P CA 0.590 63.580 63.100 -0.183 0.000 0.797 55 P CB 0.092 31.752 31.700 -0.066 0.000 0.914 56 Y N -0.897 119.388 120.300 -0.025 0.000 2.391 56 Y HA 0.451 5.001 4.550 -0.000 0.000 0.341 56 Y C 0.707 176.640 175.900 0.055 0.000 0.965 56 Y CA -0.721 57.399 58.100 0.033 0.000 1.067 56 Y CB 1.112 39.613 38.460 0.069 0.000 1.199 56 Y HN 0.274 nan 8.280 nan 0.000 0.450 57 N N 0.192 119.001 118.700 0.181 0.000 2.476 57 N HA 0.786 5.526 4.740 -0.000 0.000 0.287 57 N C -1.250 174.341 175.510 0.135 0.000 1.262 57 N CA -0.114 53.018 53.050 0.135 0.000 0.980 57 N CB 0.999 39.522 38.487 0.059 0.000 1.163 57 N HN 0.675 nan 8.380 nan 0.000 0.592 58 T N 0.363 114.971 114.554 0.090 0.000 2.977 58 T HA 0.302 4.652 4.350 -0.000 0.000 0.345 58 T C -2.956 171.722 174.700 -0.037 0.000 1.562 58 T CA -0.658 61.459 62.100 0.027 0.000 1.090 58 T CB 1.635 70.511 68.868 0.014 0.000 1.383 58 T HN 0.296 nan 8.240 nan 0.000 0.484 59 P HA 0.226 nan 4.420 nan 0.000 0.264 59 P C -0.920 176.334 177.300 -0.076 0.000 1.183 59 P CA -0.233 62.814 63.100 -0.088 0.000 0.763 59 P CB 0.320 32.131 31.700 0.186 0.000 0.807 60 V N 4.089 123.860 119.914 -0.239 0.000 2.495 60 V HA 0.554 4.674 4.120 -0.000 0.000 0.298 60 V C -0.309 175.611 176.094 -0.290 0.000 1.031 60 V CA -0.406 61.795 62.300 -0.165 0.000 0.871 60 V CB 0.881 32.632 31.823 -0.119 0.000 0.988 60 V HN 0.329 nan 8.190 nan 0.000 0.432 61 F N 1.584 121.497 119.950 -0.062 0.000 2.588 61 F HA 0.870 5.397 4.527 -0.000 0.000 0.314 61 F C 0.319 176.137 175.800 0.031 0.000 1.069 61 F CA -0.686 57.308 58.000 -0.011 0.000 0.931 61 F CB 2.203 41.193 39.000 -0.018 0.000 1.260 61 F HN 0.658 nan 8.300 nan 0.000 0.465 62 A N 2.598 125.581 122.820 0.272 0.000 2.355 62 A HA 0.956 5.276 4.320 -0.000 0.000 0.324 62 A C -1.028 176.700 177.584 0.239 0.000 1.117 62 A CA -0.588 51.620 52.037 0.285 0.000 0.785 62 A CB 0.991 20.192 19.000 0.336 0.000 1.254 62 A HN 0.697 nan 8.150 nan 0.000 0.453 63 I N 0.397 121.062 120.570 0.157 0.000 2.913 63 I HA 0.478 4.648 4.170 -0.000 0.000 0.302 63 I C -1.066 174.826 176.117 -0.375 0.000 1.246 63 I CA -0.832 60.432 61.300 -0.059 0.000 1.010 63 I CB 2.961 40.944 38.000 -0.028 0.000 1.259 63 I HN 0.828 nan 8.210 nan 0.000 0.434 64 K N 3.641 123.755 120.400 -0.477 0.000 2.670 64 K HA 0.431 4.751 4.320 -0.000 0.000 0.274 64 K C -1.089 175.290 176.600 -0.368 0.000 1.068 64 K CA -0.922 54.979 56.287 -0.644 0.000 0.967 64 K CB 1.969 33.630 32.500 -1.397 0.000 1.297 64 K HN 0.275 nan 8.250 nan 0.000 0.477 65 K N 2.396 122.653 120.400 -0.238 0.000 3.323 65 K HA 0.307 4.626 4.320 -0.000 0.000 0.227 65 K C -0.196 176.318 176.600 -0.143 0.000 1.136 65 K CA 0.098 56.292 56.287 -0.154 0.000 1.540 65 K CB 0.207 32.644 32.500 -0.105 0.000 2.096 65 K HN 0.648 nan 8.250 nan 0.000 0.579 66 K N 0.808 121.147 120.400 -0.101 0.000 2.109 66 K HA 0.101 4.421 4.320 -0.000 0.000 0.243 66 K C -0.651 175.901 176.600 -0.080 0.000 1.006 66 K CA -0.119 56.118 56.287 -0.083 0.000 0.917 66 K CB 0.308 32.772 32.500 -0.059 0.000 1.081 66 K HN 0.414 nan 8.250 nan 0.000 0.468 67 D N 0.599 120.961 120.400 -0.064 0.000 2.701 67 D HA -0.151 4.489 4.640 -0.000 0.000 0.235 67 D C -0.952 175.312 176.300 -0.060 0.000 1.155 67 D CA 0.904 54.873 54.000 -0.052 0.000 0.649 67 D CB -1.009 39.765 40.800 -0.043 0.000 1.050 67 D HN 0.443 nan 8.370 nan 0.000 0.425 68 S N -1.450 114.197 115.700 -0.089 0.000 2.416 68 S HA 0.318 4.788 4.470 -0.000 0.000 0.302 68 S C 1.111 175.693 174.600 -0.031 0.000 1.120 68 S CA -0.302 57.830 58.200 -0.114 0.000 1.067 68 S CB 1.889 64.924 63.200 -0.275 0.000 1.057 68 S HN 0.254 nan 8.310 nan 0.000 0.518 69 T N 2.689 117.249 114.554 0.010 0.000 3.040 69 T HA 0.216 4.566 4.350 -0.000 0.000 0.252 69 T C 0.274 175.046 174.700 0.120 0.000 1.064 69 T CA 0.623 62.757 62.100 0.057 0.000 1.110 69 T CB -0.079 68.809 68.868 0.034 0.000 0.921 69 T HN 0.676 nan 8.240 nan 0.000 0.480 70 K N -0.920 119.551 120.400 0.119 0.000 2.409 70 K HA 0.434 4.754 4.320 -0.000 0.000 0.252 70 K C -0.927 175.829 176.600 0.260 0.000 1.036 70 K CA -1.029 55.383 56.287 0.209 0.000 0.871 70 K CB 1.713 34.285 32.500 0.119 0.000 1.374 70 K HN 0.108 nan 8.250 nan 0.000 0.459 71 W N 0.718 122.019 121.300 0.002 0.000 2.380 71 W HA 0.481 5.141 4.660 -0.000 0.000 0.441 71 W C -0.213 176.311 176.519 0.009 0.000 1.762 71 W CA -0.519 56.831 57.345 0.009 0.000 1.905 71 W CB 1.731 31.199 29.460 0.013 0.000 1.624 71 W HN 0.254 nan 8.180 nan 0.000 0.717 72 R N 1.768 122.402 120.500 0.223 0.000 2.536 72 R HA 0.127 4.467 4.340 -0.000 0.000 0.269 72 R C -0.627 175.765 176.300 0.154 0.000 1.113 72 R CA -0.740 55.440 56.100 0.133 0.000 0.948 72 R CB 2.563 32.897 30.300 0.056 0.000 1.237 72 R HN 0.302 nan 8.270 nan 0.000 0.441 73 K N 3.088 123.568 120.400 0.134 0.000 2.185 73 K HA 0.358 4.678 4.320 -0.000 0.000 0.271 73 K C -1.261 175.419 176.600 0.134 0.000 1.013 73 K CA -0.343 56.017 56.287 0.122 0.000 0.943 73 K CB 0.782 33.333 32.500 0.084 0.000 0.998 73 K HN 0.334 nan 8.250 nan 0.000 0.468 74 L N 4.213 125.506 121.223 0.116 0.000 2.661 74 L HA 0.262 4.602 4.340 -0.000 0.000 0.263 74 L C -1.651 175.269 176.870 0.083 0.000 0.956 74 L CA -0.495 54.412 54.840 0.111 0.000 0.918 74 L CB 1.629 43.733 42.059 0.075 0.000 1.280 74 L HN 0.353 nan 8.230 nan 0.000 0.416 75 V N 2.706 122.624 119.914 0.007 0.000 2.716 75 V HA 0.484 4.604 4.120 -0.000 0.000 0.304 75 V C -0.482 175.449 176.094 -0.272 0.000 1.053 75 V CA -0.516 61.663 62.300 -0.202 0.000 0.984 75 V CB 1.870 33.370 31.823 -0.539 0.000 1.021 75 V HN 0.710 nan 8.190 nan 0.000 0.467 76 D N 1.537 121.790 120.400 -0.245 0.000 2.473 76 D HA 0.412 5.052 4.640 -0.000 0.000 0.226 76 D C 0.117 176.305 176.300 -0.186 0.000 1.089 76 D CA -0.139 53.771 54.000 -0.150 0.000 0.883 76 D CB 0.501 41.275 40.800 -0.044 0.000 1.029 76 D HN 0.409 nan 8.370 nan 0.000 0.517 77 F N 1.963 121.971 119.950 0.096 0.000 2.731 77 F HA 0.085 4.612 4.527 -0.000 0.000 0.304 77 F C 2.326 178.192 175.800 0.111 0.000 1.133 77 F CA -0.284 57.794 58.000 0.131 0.000 1.380 77 F CB -0.015 39.092 39.000 0.177 0.000 1.079 77 F HN 0.338 nan 8.300 nan 0.000 0.550 78 R N 0.484 121.094 120.500 0.182 0.000 2.112 78 R HA -0.273 4.067 4.340 -0.000 0.000 0.242 78 R C 1.657 178.035 176.300 0.131 0.000 1.137 78 R CA 2.200 58.373 56.100 0.121 0.000 0.944 78 R CB -0.758 29.579 30.300 0.062 0.000 0.857 78 R HN 0.184 nan 8.270 nan 0.000 0.435 79 E N 0.445 120.724 120.200 0.132 0.000 2.347 79 E HA -0.059 4.291 4.350 -0.000 0.000 0.196 79 E C 1.673 178.373 176.600 0.166 0.000 1.008 79 E CA 0.467 56.943 56.400 0.125 0.000 0.852 79 E CB 0.008 29.770 29.700 0.104 0.000 0.783 79 E HN 0.371 nan 8.360 nan 0.000 0.505 80 L N 0.250 121.621 121.223 0.248 0.000 2.084 80 L HA 0.019 4.358 4.340 -0.000 0.000 0.202 80 L C 1.491 178.533 176.870 0.287 0.000 1.074 80 L CA 1.437 56.457 54.840 0.301 0.000 0.757 80 L CB -0.712 41.637 42.059 0.482 0.000 0.918 80 L HN 0.035 nan 8.230 nan 0.000 0.444 81 N N 0.648 119.517 118.700 0.282 0.000 2.021 81 N HA -0.291 4.449 4.740 -0.000 0.000 0.198 81 N C 1.732 177.300 175.510 0.096 0.000 1.041 81 N CA 1.669 54.810 53.050 0.152 0.000 0.862 81 N CB -0.505 38.031 38.487 0.081 0.000 1.048 81 N HN 0.367 nan 8.380 nan 0.000 0.427 82 K N 0.975 121.428 120.400 0.089 0.000 2.589 82 K HA -0.068 4.252 4.320 -0.000 0.000 0.195 82 K C 1.087 177.724 176.600 0.062 0.000 1.042 82 K CA 0.835 57.158 56.287 0.060 0.000 0.940 82 K CB 0.140 32.676 32.500 0.060 0.000 0.776 82 K HN 0.176 nan 8.250 nan 0.000 0.487 83 R N -0.258 120.296 120.500 0.090 0.000 2.446 83 R HA 0.034 4.374 4.340 -0.000 0.000 0.254 83 R C 0.032 176.382 176.300 0.084 0.000 0.918 83 R CA 0.200 56.344 56.100 0.073 0.000 1.069 83 R CB 1.089 31.428 30.300 0.065 0.000 1.194 83 R HN 0.141 nan 8.270 nan 0.000 0.534 84 T N -0.070 114.565 114.554 0.134 0.000 2.882 84 T HA 0.242 4.592 4.350 -0.000 0.000 0.287 84 T C 0.241 174.939 174.700 -0.003 0.000 0.992 84 T CA -0.969 61.224 62.100 0.155 0.000 1.076 84 T CB 1.604 70.647 68.868 0.291 0.000 0.961 84 T HN 0.090 nan 8.240 nan 0.000 0.490 85 Q N 1.891 121.626 119.800 -0.108 0.000 2.539 85 Q HA 0.178 4.518 4.340 -0.000 0.000 0.268 85 Q C -0.536 175.252 176.000 -0.353 0.000 1.109 85 Q CA -0.261 55.397 55.803 -0.242 0.000 0.968 85 Q CB 0.146 28.684 28.738 -0.334 0.000 1.309 85 Q HN 0.575 nan 8.270 nan 0.000 0.497 86 D N 0.061 120.278 120.400 -0.305 0.000 2.344 86 D HA 0.289 4.929 4.640 -0.000 0.000 0.244 86 D C -0.565 175.449 176.300 -0.478 0.000 1.134 86 D CA 0.111 53.976 54.000 -0.225 0.000 0.930 86 D CB 0.461 41.194 40.800 -0.113 0.000 1.175 86 D HN 0.330 nan 8.370 nan 0.000 0.437 87 F N -0.709 119.168 119.950 -0.121 0.000 2.712 87 F HA 0.294 4.821 4.527 -0.000 0.000 0.367 87 F C 0.126 175.938 175.800 0.019 0.000 1.132 87 F CA -1.142 56.815 58.000 -0.073 0.000 1.066 87 F CB 0.911 39.815 39.000 -0.160 0.000 1.416 87 F HN 0.265 nan 8.300 nan 0.000 0.515 88 W N 3.505 124.857 121.300 0.087 0.000 2.507 88 W HA 0.244 4.904 4.660 -0.000 0.000 0.334 88 W C -0.641 175.872 176.519 -0.010 0.000 1.165 88 W CA -0.610 56.738 57.345 0.005 0.000 1.460 88 W CB 0.329 29.780 29.460 -0.014 0.000 1.404 88 W HN 0.594 nan 8.180 nan 0.000 0.435 89 E N 3.132 122.846 120.200 -0.810 0.000 2.452 89 E HA 0.112 4.462 4.350 -0.000 0.000 0.261 89 E C -0.309 175.822 176.600 -0.783 0.000 0.987 89 E CA -0.081 55.912 56.400 -0.678 0.000 0.926 89 E CB 0.936 30.285 29.700 -0.585 0.000 0.934 89 E HN 0.123 nan 8.360 nan 0.000 0.452 90 V N 2.531 122.173 119.914 -0.454 0.000 3.126 90 V HA 0.116 4.236 4.120 -0.000 0.000 0.314 90 V C 0.220 176.128 176.094 -0.310 0.000 1.138 90 V CA -0.964 61.121 62.300 -0.358 0.000 1.034 90 V CB 1.853 33.525 31.823 -0.251 0.000 1.075 90 V HN 0.767 nan 8.190 nan 0.000 0.442 91 Q N -0.181 119.441 119.800 -0.297 0.000 2.460 91 Q HA -0.217 4.123 4.340 -0.000 0.000 0.248 91 Q C 1.082 176.950 176.000 -0.219 0.000 0.847 91 Q CA 0.885 56.486 55.803 -0.338 0.000 1.214 91 Q CB -1.944 26.464 28.738 -0.549 0.000 1.523 91 Q HN 0.770 nan 8.270 nan 0.000 0.602 92 L N -0.952 120.159 121.223 -0.186 0.000 2.051 92 L HA -0.186 4.154 4.340 -0.000 0.000 0.214 92 L C 1.413 178.248 176.870 -0.058 0.000 1.076 92 L CA 2.086 56.850 54.840 -0.127 0.000 0.758 92 L CB -0.267 41.713 42.059 -0.132 0.000 0.890 92 L HN 0.339 nan 8.230 nan 0.000 0.433 93 G N -1.320 107.455 108.800 -0.042 0.000 2.537 93 G HA2 0.652 4.612 3.960 -0.000 0.000 0.308 93 G HA3 0.652 4.612 3.960 -0.000 0.000 0.308 93 G C -1.265 173.686 174.900 0.084 0.000 1.237 93 G CA -0.572 44.540 45.100 0.021 0.000 0.968 93 G HN -0.051 nan 8.290 nan 0.000 0.481 94 I N 1.877 122.532 120.570 0.142 0.000 2.441 94 I HA 0.317 4.487 4.170 -0.000 0.000 0.295 94 I C -1.695 174.559 176.117 0.228 0.000 0.994 94 I CA -1.937 59.511 61.300 0.246 0.000 1.144 94 I CB 2.411 40.495 38.000 0.141 0.000 1.314 94 I HN 0.292 nan 8.210 nan 0.000 0.445 95 P HA -0.030 nan 4.420 nan 0.000 0.265 95 P C -1.057 176.332 177.300 0.149 0.000 1.193 95 P CA 0.164 63.392 63.100 0.212 0.000 0.765 95 P CB 0.410 32.239 31.700 0.215 0.000 0.823 96 H N 3.938 122.907 119.070 -0.169 0.000 2.552 96 H HA 0.251 4.807 4.556 -0.000 0.000 0.311 96 H C -1.591 173.393 175.328 -0.574 0.000 1.071 96 H CA -1.729 54.097 56.048 -0.371 0.000 1.307 96 H CB 0.950 30.492 29.762 -0.366 0.000 1.416 96 H HN 0.190 nan 8.280 nan 0.000 0.464 97 P HA -0.354 nan 4.420 nan 0.000 0.222 97 P C 1.092 177.703 177.300 -1.147 0.000 1.157 97 P CA 2.684 64.984 63.100 -1.332 0.000 0.905 97 P CB -0.026 30.593 31.700 -1.802 0.000 0.792 98 A N -1.204 120.927 122.820 -1.148 0.000 2.204 98 A HA -0.083 4.237 4.320 -0.000 0.000 0.220 98 A C 1.916 179.603 177.584 0.171 0.000 1.165 98 A CA 1.890 53.827 52.037 -0.166 0.000 0.671 98 A CB -1.407 17.784 19.000 0.319 0.000 0.792 98 A HN 0.374 nan 8.150 nan 0.000 0.473 99 G N -1.279 107.446 108.800 -0.125 0.000 3.969 99 G HA2 0.481 4.441 3.960 -0.000 0.000 0.291 99 G HA3 0.481 4.441 3.960 -0.000 0.000 0.291 99 G C -0.034 174.812 174.900 -0.091 0.000 1.016 99 G CA -0.368 44.714 45.100 -0.030 0.000 0.819 99 G HN 0.278 nan 8.290 nan 0.000 0.493 100 L N 0.565 121.613 121.223 -0.292 0.000 2.379 100 L HA 0.473 4.813 4.340 -0.000 0.000 0.269 100 L C 0.468 177.166 176.870 -0.286 0.000 1.084 100 L CA -0.795 53.794 54.840 -0.417 0.000 0.802 100 L CB 1.793 43.376 42.059 -0.794 0.000 1.175 100 L HN -0.062 nan 8.230 nan 0.000 0.448 101 K N 1.950 122.278 120.400 -0.121 0.000 2.118 101 K HA 0.214 4.534 4.320 -0.000 0.000 0.267 101 K C -0.449 176.223 176.600 0.121 0.000 0.991 101 K CA -0.753 55.570 56.287 0.060 0.000 0.916 101 K CB 0.895 33.439 32.500 0.074 0.000 1.041 101 K HN 0.474 nan 8.250 nan 0.000 0.455 102 K N 3.478 124.066 120.400 0.312 0.000 2.395 102 K HA 0.075 4.395 4.320 -0.000 0.000 0.283 102 K C -0.571 176.153 176.600 0.206 0.000 1.068 102 K CA -0.043 56.480 56.287 0.393 0.000 1.039 102 K CB 0.440 33.092 32.500 0.254 0.000 0.924 102 K HN 0.150 nan 8.250 nan 0.000 0.468 103 K N 3.116 123.636 120.400 0.199 0.000 2.208 103 K HA 0.252 4.572 4.320 -0.000 0.000 0.247 103 K C 0.381 177.058 176.600 0.128 0.000 0.953 103 K CA -0.940 55.425 56.287 0.129 0.000 0.837 103 K CB 1.508 34.066 32.500 0.097 0.000 1.131 103 K HN 0.360 nan 8.250 nan 0.000 0.431 104 K N 0.642 121.102 120.400 0.100 0.000 1.997 104 K HA 0.034 4.354 4.320 -0.000 0.000 0.212 104 K C 1.081 177.716 176.600 0.058 0.000 1.033 104 K CA 0.873 57.205 56.287 0.075 0.000 0.950 104 K CB -0.861 31.675 32.500 0.059 0.000 0.751 104 K HN 0.747 nan 8.250 nan 0.000 0.444 105 S N 0.798 116.510 115.700 0.020 0.000 2.669 105 S HA 0.572 5.042 4.470 -0.000 0.000 0.270 105 S C 0.270 174.833 174.600 -0.061 0.000 1.225 105 S CA -0.837 57.278 58.200 -0.141 0.000 0.991 105 S CB 1.485 64.403 63.200 -0.469 0.000 0.987 105 S HN 0.038 nan 8.310 nan 0.000 0.552 106 V N -0.197 119.646 119.914 -0.118 0.000 3.232 106 V HA 0.770 4.890 4.120 -0.000 0.000 0.303 106 V C -0.907 175.227 176.094 0.066 0.000 1.311 106 V CA -0.808 61.533 62.300 0.068 0.000 1.061 106 V CB 2.163 34.001 31.823 0.024 0.000 1.085 106 V HN 1.132 nan 8.190 nan 0.000 0.447 107 T N 0.979 115.558 114.554 0.043 0.000 3.579 107 T HA 0.351 4.701 4.350 -0.000 0.000 0.360 107 T C -1.411 173.220 174.700 -0.116 0.000 1.285 107 T CA -0.355 61.758 62.100 0.023 0.000 1.127 107 T CB 1.712 70.712 68.868 0.219 0.000 1.244 107 T HN 0.782 nan 8.240 nan 0.000 0.476 108 V N 5.488 125.252 119.914 -0.249 0.000 2.394 108 V HA 0.684 4.804 4.120 -0.000 0.000 0.282 108 V C -0.519 175.446 176.094 -0.216 0.000 1.031 108 V CA -0.547 61.523 62.300 -0.384 0.000 0.881 108 V CB 0.679 32.100 31.823 -0.670 0.000 0.982 108 V HN 0.801 nan 8.190 nan 0.000 0.451 109 L N 4.806 125.939 121.223 -0.150 0.000 2.375 109 L HA 0.565 4.904 4.340 -0.000 0.000 0.268 109 L C -0.422 176.417 176.870 -0.052 0.000 1.058 109 L CA -0.593 54.211 54.840 -0.060 0.000 0.803 109 L CB 1.744 43.799 42.059 -0.007 0.000 1.212 109 L HN 0.693 nan 8.230 nan 0.000 0.451 110 D N 0.829 121.222 120.400 -0.011 0.000 2.349 110 D HA 0.350 4.990 4.640 -0.000 0.000 0.232 110 D C -0.471 175.861 176.300 0.053 0.000 1.071 110 D CA -0.350 53.659 54.000 0.015 0.000 0.832 110 D CB 1.411 42.218 40.800 0.012 0.000 1.086 110 D HN 0.168 nan 8.370 nan 0.000 0.504 111 V N 2.579 122.551 119.914 0.097 0.000 2.446 111 V HA 0.629 4.749 4.120 -0.000 0.000 0.257 111 V C 0.965 177.116 176.094 0.094 0.000 1.036 111 V CA -0.127 62.252 62.300 0.132 0.000 1.196 111 V CB 0.601 32.574 31.823 0.249 0.000 1.446 111 V HN 0.518 nan 8.190 nan 0.000 0.558 112 G N 2.131 110.962 108.800 0.052 0.000 2.559 112 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.209 112 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.209 112 G C 0.796 175.674 174.900 -0.036 0.000 1.151 112 G CA 0.881 46.009 45.100 0.047 0.000 0.824 112 G HN 0.715 nan 8.290 nan 0.000 0.543 113 D N 1.882 122.255 120.400 -0.045 0.000 2.322 113 D HA -0.007 4.633 4.640 -0.000 0.000 0.210 113 D C 2.229 178.438 176.300 -0.151 0.000 0.983 113 D CA 0.938 54.883 54.000 -0.091 0.000 0.902 113 D CB -0.212 40.564 40.800 -0.040 0.000 0.905 113 D HN 0.381 nan 8.370 nan 0.000 0.483 114 A N 1.710 124.434 122.820 -0.160 0.000 2.481 114 A HA -0.311 4.009 4.320 -0.000 0.000 0.204 114 A C 2.096 179.496 177.584 -0.307 0.000 1.187 114 A CA 2.291 54.199 52.037 -0.215 0.000 0.928 114 A CB -1.822 16.868 19.000 -0.517 0.000 0.788 114 A HN 0.556 nan 8.150 nan 0.000 0.548 115 Y N -2.321 117.672 120.300 -0.513 0.000 2.321 115 Y HA -0.228 4.322 4.550 -0.000 0.000 0.281 115 Y C 1.733 177.552 175.900 -0.135 0.000 1.200 115 Y CA 1.554 59.467 58.100 -0.311 0.000 1.269 115 Y CB -1.128 37.102 38.460 -0.383 0.000 0.972 115 Y HN 0.193 nan 8.280 nan 0.000 0.550 116 F N 0.195 119.778 119.950 -0.612 0.000 2.748 116 F HA -0.014 4.513 4.527 -0.000 0.000 0.299 116 F C 2.039 177.788 175.800 -0.085 0.000 1.154 116 F CA 0.994 58.820 58.000 -0.291 0.000 1.446 116 F CB 0.087 38.882 39.000 -0.342 0.000 1.112 116 F HN 0.093 nan 8.300 nan 0.000 0.584 117 S N -1.222 114.530 115.700 0.086 0.000 2.483 117 S HA 0.107 4.577 4.470 -0.000 0.000 0.221 117 S C 0.656 175.338 174.600 0.137 0.000 1.030 117 S CA -0.054 58.218 58.200 0.120 0.000 0.925 117 S CB 0.210 63.479 63.200 0.115 0.000 0.795 117 S HN -0.154 nan 8.310 nan 0.000 0.511 118 V N 4.485 124.490 119.914 0.151 0.000 2.555 118 V HA 0.225 4.345 4.120 -0.000 0.000 0.286 118 V C -2.335 173.832 176.094 0.121 0.000 1.044 118 V CA -1.956 60.443 62.300 0.164 0.000 1.026 118 V CB 0.575 32.533 31.823 0.225 0.000 0.981 118 V HN 0.136 nan 8.190 nan 0.000 0.480 119 P HA 0.176 nan 4.420 nan 0.000 0.270 119 P C -0.839 176.506 177.300 0.076 0.000 1.223 119 P CA -0.307 62.849 63.100 0.095 0.000 0.785 119 P CB 0.513 32.272 31.700 0.098 0.000 0.923 120 L N 1.753 123.011 121.223 0.059 0.000 2.341 120 L HA 0.379 4.719 4.340 -0.000 0.000 0.278 120 L C -0.325 176.585 176.870 0.067 0.000 1.005 120 L CA -0.799 54.057 54.840 0.027 0.000 0.818 120 L CB 1.099 43.135 42.059 -0.039 0.000 1.259 120 L HN 0.204 nan 8.230 nan 0.000 0.418 121 D N 3.146 123.598 120.400 0.086 0.000 2.950 121 D HA -0.169 4.471 4.640 -0.000 0.000 0.265 121 D C 1.323 177.708 176.300 0.140 0.000 1.405 121 D CA 0.778 54.850 54.000 0.121 0.000 0.998 121 D CB 0.497 41.380 40.800 0.139 0.000 1.154 121 D HN 0.694 nan 8.370 nan 0.000 0.586 122 E N 3.030 123.294 120.200 0.107 0.000 2.348 122 E HA -0.338 4.012 4.350 -0.000 0.000 0.234 122 E C 0.901 177.565 176.600 0.108 0.000 1.110 122 E CA 2.481 58.937 56.400 0.094 0.000 0.987 122 E CB -0.080 29.667 29.700 0.079 0.000 0.834 122 E HN 0.633 nan 8.360 nan 0.000 0.468 123 D N -1.509 118.978 120.400 0.145 0.000 2.194 123 D HA -0.082 4.558 4.640 -0.000 0.000 0.204 123 D C 1.463 177.913 176.300 0.249 0.000 0.964 123 D CA 0.609 54.708 54.000 0.166 0.000 0.846 123 D CB -0.376 40.533 40.800 0.182 0.000 0.962 123 D HN 0.267 nan 8.370 nan 0.000 0.490 124 F N 1.890 121.927 119.950 0.145 0.000 2.771 124 F HA 0.036 4.563 4.527 -0.000 0.000 0.299 124 F C 2.025 177.932 175.800 0.177 0.000 1.177 124 F CA 0.376 58.518 58.000 0.237 0.000 1.450 124 F CB 0.028 39.083 39.000 0.093 0.000 1.114 124 F HN -0.221 nan 8.300 nan 0.000 0.587 125 R N 0.769 121.315 120.500 0.077 0.000 2.066 125 R HA -0.161 4.179 4.340 -0.000 0.000 0.232 125 R C 2.436 178.668 176.300 -0.114 0.000 1.131 125 R CA 1.748 57.839 56.100 -0.015 0.000 0.955 125 R CB -0.362 29.953 30.300 0.026 0.000 0.851 125 R HN 0.305 nan 8.270 nan 0.000 0.432 126 K N 0.083 120.352 120.400 -0.217 0.000 2.189 126 K HA -0.249 4.071 4.320 -0.000 0.000 0.207 126 K C 1.557 177.954 176.600 -0.339 0.000 1.046 126 K CA 1.933 58.050 56.287 -0.283 0.000 0.928 126 K CB -0.571 31.718 32.500 -0.351 0.000 0.720 126 K HN 0.303 nan 8.250 nan 0.000 0.458 127 Y N 2.680 122.812 120.300 -0.280 0.000 2.263 127 Y HA -0.096 4.454 4.550 -0.000 0.000 0.292 127 Y C 2.862 178.698 175.900 -0.106 0.000 1.130 127 Y CA 1.500 59.379 58.100 -0.368 0.000 1.179 127 Y CB -0.986 37.021 38.460 -0.755 0.000 0.998 127 Y HN 0.239 nan 8.280 nan 0.000 0.532 128 T N -0.802 113.769 114.554 0.028 0.000 2.996 128 T HA -0.014 4.336 4.350 -0.000 0.000 0.271 128 T C 1.150 176.080 174.700 0.383 0.000 1.126 128 T CA 0.347 62.584 62.100 0.228 0.000 1.103 128 T CB -0.949 68.007 68.868 0.146 0.000 0.870 128 T HN 0.332 nan 8.240 nan 0.000 0.528 129 A N 2.327 125.266 122.820 0.198 0.000 2.572 129 A HA 0.409 4.729 4.320 -0.000 0.000 0.256 129 A C 0.210 177.911 177.584 0.196 0.000 1.041 129 A CA -0.270 51.835 52.037 0.113 0.000 0.790 129 A CB -1.030 18.014 19.000 0.072 0.000 0.947 129 A HN 0.639 nan 8.150 nan 0.000 0.518 130 F N 0.632 120.698 119.950 0.192 0.000 2.639 130 F HA 0.912 5.439 4.527 -0.000 0.000 0.339 130 F C -0.075 175.780 175.800 0.092 0.000 1.071 130 F CA -1.190 56.888 58.000 0.131 0.000 0.994 130 F CB 1.313 40.407 39.000 0.157 0.000 1.341 130 F HN 0.224 nan 8.300 nan 0.000 0.498 131 T N 2.651 117.446 114.554 0.402 0.000 3.011 131 T HA 0.377 4.727 4.350 -0.000 0.000 0.303 131 T C -1.099 173.772 174.700 0.286 0.000 0.997 131 T CA -0.356 61.880 62.100 0.225 0.000 1.007 131 T CB 1.159 70.108 68.868 0.136 0.000 1.017 131 T HN 0.844 nan 8.240 nan 0.000 0.443 132 I N 6.407 127.142 120.570 0.274 0.000 2.325 132 I HA 0.369 4.539 4.170 -0.000 0.000 0.291 132 I C -2.079 174.113 176.117 0.126 0.000 1.019 132 I CA -2.663 58.758 61.300 0.202 0.000 1.302 132 I CB 1.385 39.529 38.000 0.241 0.000 1.401 132 I HN 0.288 nan 8.210 nan 0.000 0.485 133 P HA 0.091 nan 4.420 nan 0.000 0.276 133 P C -0.341 177.005 177.300 0.075 0.000 1.243 133 P CA -0.181 63.015 63.100 0.160 0.000 0.768 133 P CB 1.350 33.203 31.700 0.254 0.000 0.856 134 S N 5.249 120.970 115.700 0.036 0.000 2.582 134 S HA 0.193 4.663 4.470 -0.000 0.000 0.159 134 S C 0.919 175.517 174.600 -0.002 0.000 0.918 134 S CA -0.242 57.963 58.200 0.007 0.000 1.287 134 S CB -0.724 62.466 63.200 -0.016 0.000 0.667 134 S HN 0.345 nan 8.310 nan 0.000 0.462 135 I N 3.367 123.925 120.570 -0.019 0.000 2.452 135 I HA 0.134 4.304 4.170 -0.000 0.000 0.287 135 I C 0.397 176.493 176.117 -0.035 0.000 1.079 135 I CA -0.378 60.906 61.300 -0.025 0.000 1.387 135 I CB 0.569 38.550 38.000 -0.032 0.000 1.404 135 I HN 0.427 nan 8.210 nan 0.000 0.522 136 N N 4.409 123.094 118.700 -0.026 0.000 2.417 136 N HA -0.229 4.511 4.740 -0.000 0.000 0.187 136 N C 1.269 176.748 175.510 -0.053 0.000 1.027 136 N CA 0.824 53.855 53.050 -0.031 0.000 0.891 136 N CB -0.491 37.987 38.487 -0.016 0.000 0.956 136 N HN 0.574 nan 8.380 nan 0.000 0.442 137 N N 1.173 119.843 118.700 -0.051 0.000 2.680 137 N HA -0.166 4.574 4.740 -0.000 0.000 0.197 137 N C -0.512 174.949 175.510 -0.082 0.000 1.288 137 N CA 0.090 53.105 53.050 -0.057 0.000 0.924 137 N CB 0.050 38.509 38.487 -0.047 0.000 1.025 137 N HN 0.019 nan 8.380 nan 0.000 0.447 138 E N 0.351 120.487 120.200 -0.106 0.000 2.340 138 E HA -0.147 4.203 4.350 -0.000 0.000 0.240 138 E C -1.190 175.327 176.600 -0.138 0.000 1.154 138 E CA 0.618 56.921 56.400 -0.162 0.000 0.717 138 E CB -1.767 27.824 29.700 -0.183 0.000 1.250 138 E HN 0.307 nan 8.360 nan 0.000 0.386 139 T N 0.397 114.890 114.554 -0.102 0.000 2.909 139 T HA 0.521 4.871 4.350 -0.000 0.000 0.286 139 T C -2.188 172.464 174.700 -0.079 0.000 1.002 139 T CA -1.539 60.512 62.100 -0.081 0.000 1.074 139 T CB 1.327 70.160 68.868 -0.059 0.000 0.984 139 T HN -0.051 nan 8.240 nan 0.000 0.495 140 P HA 0.109 nan 4.420 nan 0.000 0.237 140 P C 0.796 178.063 177.300 -0.056 0.000 1.149 140 P CA 0.226 63.289 63.100 -0.063 0.000 1.254 140 P CB -0.641 31.023 31.700 -0.060 0.000 1.382 141 G N 3.386 112.165 108.800 -0.035 0.000 2.460 141 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.230 141 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.230 141 G C 0.109 174.956 174.900 -0.088 0.000 1.248 141 G CA -0.487 44.599 45.100 -0.024 0.000 0.863 141 G HN 0.557 nan 8.290 nan 0.000 0.549 142 I N 0.908 121.402 120.570 -0.126 0.000 2.578 142 I HA 0.248 4.418 4.170 -0.000 0.000 0.286 142 I C 0.673 176.525 176.117 -0.442 0.000 1.126 142 I CA -0.146 60.988 61.300 -0.277 0.000 1.380 142 I CB 0.064 37.908 38.000 -0.260 0.000 1.408 142 I HN 0.444 nan 8.210 nan 0.000 0.532 143 R N 5.870 126.091 120.500 -0.466 0.000 2.393 143 R HA 0.507 4.847 4.340 -0.000 0.000 0.310 143 R C -1.463 174.476 176.300 -0.601 0.000 0.968 143 R CA -0.552 55.269 56.100 -0.465 0.000 0.867 143 R CB 0.937 31.098 30.300 -0.233 0.000 1.124 143 R HN 0.623 nan 8.270 nan 0.000 0.450 144 Y N 0.730 120.712 120.300 -0.529 0.000 2.659 144 Y HA 0.380 4.930 4.550 -0.000 0.000 0.333 144 Y C -0.371 175.160 175.900 -0.616 0.000 1.064 144 Y CA -0.853 56.899 58.100 -0.580 0.000 1.141 144 Y CB 1.597 39.665 38.460 -0.654 0.000 1.316 144 Y HN 0.443 nan 8.280 nan 0.000 0.509 145 Q N 0.709 120.417 119.800 -0.154 0.000 2.296 145 Q HA 0.321 4.661 4.340 -0.000 0.000 0.254 145 Q C -2.082 173.956 176.000 0.063 0.000 0.936 145 Q CA -0.589 55.192 55.803 -0.038 0.000 0.834 145 Q CB 1.022 29.749 28.738 -0.018 0.000 1.340 145 Q HN 0.713 nan 8.270 nan 0.000 0.428 146 Y N 2.602 122.967 120.300 0.108 0.000 2.805 146 Y HA -0.044 4.506 4.550 -0.000 0.000 0.337 146 Y C 1.180 177.101 175.900 0.034 0.000 1.252 146 Y CA 1.084 59.248 58.100 0.107 0.000 1.515 146 Y CB 0.584 39.104 38.460 0.101 0.000 1.305 146 Y HN 0.692 nan 8.280 nan 0.000 0.600 147 N N 0.848 119.687 118.700 0.232 0.000 2.210 147 N HA 0.086 4.826 4.740 -0.000 0.000 0.203 147 N C -0.560 175.026 175.510 0.127 0.000 1.175 147 N CA 0.445 53.577 53.050 0.137 0.000 0.894 147 N CB 0.844 39.392 38.487 0.102 0.000 1.041 147 N HN 0.383 nan 8.380 nan 0.000 0.506 148 V N -2.075 117.939 119.914 0.166 0.000 3.164 148 V HA 0.548 4.668 4.120 -0.000 0.000 0.313 148 V C 0.070 176.125 176.094 -0.065 0.000 1.188 148 V CA -1.125 61.218 62.300 0.071 0.000 1.058 148 V CB 1.389 33.271 31.823 0.099 0.000 1.110 148 V HN -0.146 nan 8.190 nan 0.000 0.453 149 L N 1.887 123.053 121.223 -0.095 0.000 2.562 149 L HA 0.289 4.629 4.340 -0.000 0.000 0.271 149 L C -2.194 174.473 176.870 -0.340 0.000 1.167 149 L CA -0.999 53.754 54.840 -0.144 0.000 0.917 149 L CB -0.098 41.993 42.059 0.053 0.000 1.187 149 L HN 0.466 nan 8.230 nan 0.000 0.482 150 P HA -0.028 nan 4.420 nan 0.000 0.269 150 P C 0.314 177.365 177.300 -0.416 0.000 1.209 150 P CA -0.161 62.411 63.100 -0.880 0.000 0.776 150 P CB 0.612 31.536 31.700 -1.294 0.000 0.876 151 Q N 1.949 121.666 119.800 -0.138 0.000 2.181 151 Q HA -0.138 4.201 4.340 -0.000 0.000 0.205 151 Q C 1.575 177.466 176.000 -0.183 0.000 0.980 151 Q CA 2.164 57.910 55.803 -0.095 0.000 0.862 151 Q CB -0.511 28.394 28.738 0.278 0.000 0.905 151 Q HN 0.707 nan 8.270 nan 0.000 0.429 152 G N -1.025 107.793 108.800 0.029 0.000 2.850 152 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.211 152 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.211 152 G C -0.251 174.660 174.900 0.017 0.000 1.124 152 G CA -0.571 44.568 45.100 0.066 0.000 0.769 152 G HN 0.322 nan 8.290 nan 0.000 0.535 153 W N 2.342 123.411 121.300 -0.385 0.000 2.582 153 W HA -0.012 4.648 4.660 -0.000 0.000 0.336 153 W C 1.671 178.018 176.519 -0.287 0.000 1.152 153 W CA 0.204 57.290 57.345 -0.431 0.000 1.347 153 W CB 0.712 29.818 29.460 -0.590 0.000 1.173 153 W HN 0.069 nan 8.180 nan 0.000 0.575 154 K N 2.628 122.521 120.400 -0.846 0.000 1.985 154 K HA -0.090 4.230 4.320 -0.000 0.000 0.210 154 K C 1.782 177.712 176.600 -1.116 0.000 1.047 154 K CA 1.660 57.472 56.287 -0.793 0.000 0.932 154 K CB -0.809 31.321 32.500 -0.617 0.000 0.716 154 K HN 0.654 nan 8.250 nan 0.000 0.439 155 G N 0.016 107.532 108.800 -2.140 0.000 3.186 155 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.214 155 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.214 155 G C 0.818 175.032 174.900 -1.142 0.000 1.222 155 G CA -0.010 43.613 45.100 -2.462 0.000 0.921 155 G HN 0.210 nan 8.290 nan 0.000 0.504 156 S N 1.089 116.433 115.700 -0.593 0.000 2.371 156 S HA 0.019 4.489 4.470 -0.000 0.000 0.219 156 S C 0.026 174.533 174.600 -0.154 0.000 1.040 156 S CA 0.686 58.773 58.200 -0.189 0.000 0.958 156 S CB -0.310 62.791 63.200 -0.165 0.000 0.860 156 S HN 0.252 nan 8.310 nan 0.000 0.487 157 P HA -0.047 nan 4.420 nan 0.000 0.216 157 P C 1.236 178.520 177.300 -0.027 0.000 1.150 157 P CA 1.391 64.452 63.100 -0.066 0.000 0.837 157 P CB -0.077 31.545 31.700 -0.130 0.000 0.786 158 A N 0.134 122.843 122.820 -0.185 0.000 1.824 158 A HA -0.174 4.146 4.320 -0.000 0.000 0.215 158 A C 2.109 179.647 177.584 -0.075 0.000 1.209 158 A CA 1.568 53.511 52.037 -0.157 0.000 0.614 158 A CB -1.699 17.145 19.000 -0.259 0.000 0.852 158 A HN 0.074 nan 8.150 nan 0.000 0.447 159 I N -1.034 119.464 120.570 -0.121 0.000 2.730 159 I HA -0.258 3.912 4.170 -0.000 0.000 0.266 159 I C 2.139 178.303 176.117 0.078 0.000 1.228 159 I CA 1.315 62.620 61.300 0.009 0.000 1.445 159 I CB -0.432 37.595 38.000 0.045 0.000 1.102 159 I HN 0.510 nan 8.210 nan 0.000 0.464 160 F N 1.995 121.919 119.950 -0.044 0.000 2.135 160 F HA -0.081 4.446 4.527 -0.000 0.000 0.280 160 F C 2.523 178.313 175.800 -0.015 0.000 1.109 160 F CA 1.112 59.110 58.000 -0.004 0.000 1.163 160 F CB -0.602 38.412 39.000 0.023 0.000 1.062 160 F HN -0.103 nan 8.300 nan 0.000 0.496 161 Q N 0.667 120.207 119.800 -0.432 0.000 2.290 161 Q HA -0.210 4.130 4.340 -0.000 0.000 0.211 161 Q C 2.320 178.117 176.000 -0.339 0.000 0.991 161 Q CA 1.494 57.014 55.803 -0.471 0.000 0.893 161 Q CB -1.334 27.279 28.738 -0.208 0.000 0.913 161 Q HN 0.532 nan 8.270 nan 0.000 0.428 162 S N 0.313 115.885 115.700 -0.212 0.000 2.374 162 S HA -0.138 4.332 4.470 -0.000 0.000 0.207 162 S C 2.013 176.498 174.600 -0.192 0.000 1.042 162 S CA 1.427 59.547 58.200 -0.133 0.000 1.034 162 S CB -0.272 62.901 63.200 -0.044 0.000 1.018 162 S HN 0.407 nan 8.310 nan 0.000 0.419 163 S N 1.517 117.121 115.700 -0.161 0.000 2.429 163 S HA -0.299 4.171 4.470 -0.000 0.000 0.251 163 S C 1.751 176.188 174.600 -0.272 0.000 1.104 163 S CA 2.137 60.237 58.200 -0.166 0.000 1.130 163 S CB -0.832 62.326 63.200 -0.070 0.000 1.000 163 S HN 0.602 nan 8.310 nan 0.000 0.449 164 M N 1.930 121.281 119.600 -0.414 0.000 2.443 164 M HA -0.148 4.332 4.480 -0.000 0.000 0.267 164 M C 2.081 178.211 176.300 -0.282 0.000 1.069 164 M CA 2.300 57.354 55.300 -0.411 0.000 1.085 164 M CB -1.746 30.498 32.600 -0.592 0.000 1.243 164 M HN 0.267 nan 8.290 nan 0.000 0.464 165 T N 1.071 115.481 114.554 -0.240 0.000 2.731 165 T HA -0.296 4.054 4.350 -0.000 0.000 0.263 165 T C 1.782 176.393 174.700 -0.148 0.000 1.033 165 T CA 2.300 64.305 62.100 -0.158 0.000 1.160 165 T CB -0.517 68.271 68.868 -0.132 0.000 0.849 165 T HN 0.451 nan 8.240 nan 0.000 0.469 166 K N 0.125 120.415 120.400 -0.182 0.000 2.147 166 K HA 0.044 4.364 4.320 -0.000 0.000 0.205 166 K C 2.226 178.656 176.600 -0.283 0.000 1.049 166 K CA 1.041 57.211 56.287 -0.194 0.000 0.936 166 K CB -0.233 32.147 32.500 -0.200 0.000 0.722 166 K HN 0.430 nan 8.250 nan 0.000 0.446 167 I N 0.873 121.215 120.570 -0.380 0.000 2.500 167 I HA -0.197 3.973 4.170 -0.000 0.000 0.252 167 I C 2.064 178.083 176.117 -0.163 0.000 1.142 167 I CA 0.738 61.700 61.300 -0.562 0.000 1.451 167 I CB -0.140 37.432 38.000 -0.714 0.000 1.093 167 I HN 0.093 nan 8.210 nan 0.000 0.430 168 L N 0.347 121.527 121.223 -0.071 0.000 2.044 168 L HA -0.167 4.172 4.340 -0.000 0.000 0.205 168 L C 2.404 179.359 176.870 0.142 0.000 1.075 168 L CA 1.204 56.112 54.840 0.113 0.000 0.747 168 L CB -0.799 41.301 42.059 0.068 0.000 0.903 168 L HN 0.244 nan 8.230 nan 0.000 0.435 169 E N 0.327 120.547 120.200 0.033 0.000 2.240 169 E HA -0.287 4.063 4.350 -0.000 0.000 0.236 169 E C -0.585 176.041 176.600 0.044 0.000 1.085 169 E CA 2.997 59.407 56.400 0.018 0.000 0.979 169 E CB -0.826 28.862 29.700 -0.020 0.000 0.845 169 E HN 0.370 nan 8.360 nan 0.000 0.483 170 P HA -0.198 nan 4.420 nan 0.000 0.214 170 P C 1.517 178.846 177.300 0.047 0.000 1.163 170 P CA 1.472 64.607 63.100 0.059 0.000 0.883 170 P CB -0.374 31.380 31.700 0.090 0.000 0.788 171 F N 1.612 121.524 119.950 -0.063 0.000 2.161 171 F HA -0.123 4.404 4.527 -0.000 0.000 0.300 171 F C 2.202 177.994 175.800 -0.013 0.000 1.089 171 F CA 1.577 59.535 58.000 -0.070 0.000 1.282 171 F CB -0.637 38.389 39.000 0.043 0.000 1.010 171 F HN -0.224 nan 8.300 nan 0.000 0.485 172 K N 0.054 120.439 120.400 -0.025 0.000 2.147 172 K HA -0.170 4.150 4.320 -0.000 0.000 0.205 172 K C 2.118 178.620 176.600 -0.163 0.000 1.049 172 K CA 1.273 57.489 56.287 -0.117 0.000 0.936 172 K CB -0.060 32.437 32.500 -0.005 0.000 0.722 172 K HN 0.316 nan 8.250 nan 0.000 0.446 173 K N 0.779 121.108 120.400 -0.118 0.000 1.991 173 K HA -0.121 4.199 4.320 -0.000 0.000 0.207 173 K C 1.881 178.401 176.600 -0.134 0.000 1.045 173 K CA 1.232 57.460 56.287 -0.099 0.000 0.937 173 K CB -0.016 32.451 32.500 -0.055 0.000 0.720 173 K HN 0.167 nan 8.250 nan 0.000 0.438 174 Q N 0.651 120.358 119.800 -0.155 0.000 2.541 174 Q HA -0.028 4.312 4.340 -0.000 0.000 0.215 174 Q C -0.070 175.795 176.000 -0.225 0.000 0.977 174 Q CA 0.525 56.237 55.803 -0.151 0.000 0.934 174 Q CB 0.022 28.691 28.738 -0.115 0.000 0.988 174 Q HN 0.223 nan 8.270 nan 0.000 0.521 175 N N 0.394 118.901 118.700 -0.321 0.000 2.628 175 N HA 0.088 4.828 4.740 -0.000 0.000 0.299 175 N C -2.296 173.067 175.510 -0.245 0.000 1.834 175 N CA -0.664 52.174 53.050 -0.354 0.000 0.871 175 N CB 1.002 39.058 38.487 -0.719 0.000 1.377 175 N HN 0.102 nan 8.380 nan 0.000 0.493 176 P HA -0.129 nan 4.420 nan 0.000 0.231 176 P C 0.634 177.893 177.300 -0.068 0.000 1.154 176 P CA 1.086 64.129 63.100 -0.096 0.000 0.762 176 P CB 0.534 32.194 31.700 -0.067 0.000 0.790 177 D N -0.337 120.018 120.400 -0.075 0.000 2.338 177 D HA 0.006 4.646 4.640 -0.000 0.000 0.208 177 D C 0.477 176.760 176.300 -0.029 0.000 0.997 177 D CA 0.098 54.075 54.000 -0.037 0.000 0.880 177 D CB -0.012 40.772 40.800 -0.027 0.000 0.980 177 D HN 0.076 nan 8.370 nan 0.000 0.509 178 I N 2.911 123.441 120.570 -0.068 0.000 2.260 178 I HA 0.037 4.207 4.170 -0.000 0.000 0.297 178 I C 0.357 176.474 176.117 -0.000 0.000 1.143 178 I CA -0.562 60.717 61.300 -0.035 0.000 1.271 178 I CB 0.581 38.542 38.000 -0.065 0.000 1.461 178 I HN -0.177 nan 8.210 nan 0.000 0.530 179 V N 6.694 126.623 119.914 0.026 0.000 2.508 179 V HA 0.505 4.625 4.120 -0.000 0.000 0.281 179 V C 0.085 176.226 176.094 0.078 0.000 1.041 179 V CA -0.028 62.295 62.300 0.039 0.000 1.016 179 V CB 0.388 32.226 31.823 0.025 0.000 0.984 179 V HN 0.462 nan 8.190 nan 0.000 0.478 180 I N 6.142 126.771 120.570 0.098 0.000 2.797 180 I HA 0.609 4.779 4.170 -0.000 0.000 0.307 180 I C -0.922 175.297 176.117 0.169 0.000 1.033 180 I CA -0.972 60.415 61.300 0.146 0.000 1.071 180 I CB 2.224 40.321 38.000 0.162 0.000 1.255 180 I HN 0.874 nan 8.210 nan 0.000 0.445 181 Y N 4.748 125.071 120.300 0.038 0.000 2.399 181 Y HA 0.310 4.860 4.550 -0.000 0.000 0.327 181 Y C -1.465 174.487 175.900 0.088 0.000 1.111 181 Y CA -0.761 57.341 58.100 0.003 0.000 1.047 181 Y CB 1.377 39.772 38.460 -0.109 0.000 1.259 181 Y HN 0.572 nan 8.280 nan 0.000 0.434 182 Q N 5.968 125.731 119.800 -0.062 0.000 2.345 182 Q HA 0.344 4.684 4.340 -0.000 0.000 0.268 182 Q C -2.155 173.898 176.000 0.087 0.000 1.054 182 Q CA -0.907 55.005 55.803 0.182 0.000 0.835 182 Q CB 3.012 31.806 28.738 0.093 0.000 1.339 182 Q HN 0.973 nan 8.270 nan 0.000 0.447 183 Y N 3.823 124.310 120.300 0.311 0.000 2.484 183 Y HA 0.291 4.841 4.550 -0.000 0.000 0.348 183 Y C 0.066 176.149 175.900 0.305 0.000 1.103 183 Y CA -0.374 57.899 58.100 0.288 0.000 1.317 183 Y CB 0.545 39.304 38.460 0.498 0.000 1.096 183 Y HN 0.968 nan 8.280 nan 0.000 0.568 184 M N 0.358 120.202 119.600 0.407 0.000 7.319 184 M HA -0.367 4.113 4.480 -0.000 0.000 0.328 184 M C 0.207 176.741 176.300 0.390 0.000 0.480 184 M CA 1.895 57.424 55.300 0.382 0.000 1.311 184 M CB -1.004 31.853 32.600 0.428 0.000 0.421 184 M HN 0.485 nan 8.290 nan 0.000 0.511 185 D N 1.579 122.160 120.400 0.301 0.000 2.378 185 D HA 0.083 4.723 4.640 -0.000 0.000 0.227 185 D C -0.046 176.395 176.300 0.234 0.000 1.012 185 D CA 0.928 55.061 54.000 0.221 0.000 0.905 185 D CB -0.188 40.706 40.800 0.157 0.000 0.895 185 D HN 0.357 nan 8.370 nan 0.000 0.532 186 D N 0.256 120.854 120.400 0.329 0.000 2.414 186 D HA 0.446 5.086 4.640 -0.000 0.000 0.241 186 D C -0.476 176.053 176.300 0.381 0.000 1.008 186 D CA -0.657 53.506 54.000 0.272 0.000 1.001 186 D CB 2.503 43.433 40.800 0.218 0.000 1.277 186 D HN -0.176 nan 8.370 nan 0.000 0.538 187 L N 1.789 123.161 121.223 0.248 0.000 2.549 187 L HA 0.213 4.553 4.340 -0.000 0.000 0.260 187 L C -1.872 175.149 176.870 0.252 0.000 1.109 187 L CA -0.470 54.562 54.840 0.320 0.000 0.900 187 L CB 0.342 42.507 42.059 0.177 0.000 1.119 187 L HN 0.177 nan 8.230 nan 0.000 0.471 188 Y N 2.994 123.364 120.300 0.115 0.000 2.335 188 Y HA 0.576 5.126 4.550 -0.000 0.000 0.331 188 Y C 0.385 176.288 175.900 0.005 0.000 1.094 188 Y CA -0.982 57.109 58.100 -0.014 0.000 1.253 188 Y CB 0.953 39.321 38.460 -0.154 0.000 1.203 188 Y HN 0.214 nan 8.280 nan 0.000 0.508 189 V N 2.630 122.617 119.914 0.120 0.000 2.444 189 V HA 0.787 4.907 4.120 -0.000 0.000 0.294 189 V C 0.266 176.436 176.094 0.126 0.000 1.022 189 V CA -0.924 61.444 62.300 0.113 0.000 0.850 189 V CB 1.453 33.329 31.823 0.089 0.000 0.992 189 V HN 0.949 nan 8.190 nan 0.000 0.426 190 G N 2.673 111.539 108.800 0.109 0.000 2.513 190 G HA2 0.770 4.730 3.960 -0.000 0.000 0.317 190 G HA3 0.770 4.730 3.960 -0.000 0.000 0.317 190 G C -0.459 174.533 174.900 0.153 0.000 1.277 190 G CA -0.106 45.079 45.100 0.141 0.000 0.955 190 G HN 0.977 nan 8.290 nan 0.000 0.484 191 S N 0.048 115.890 115.700 0.237 0.000 2.794 191 S HA 0.601 5.071 4.470 -0.000 0.000 0.299 191 S C -1.011 173.691 174.600 0.171 0.000 1.179 191 S CA -0.773 57.538 58.200 0.187 0.000 0.838 191 S CB 2.345 65.652 63.200 0.177 0.000 1.206 191 S HN 0.239 nan 8.310 nan 0.000 0.523 192 D N 0.495 120.970 120.400 0.125 0.000 2.593 192 D HA 0.436 5.076 4.640 -0.000 0.000 0.241 192 D C -0.212 176.143 176.300 0.092 0.000 1.257 192 D CA -0.060 53.998 54.000 0.096 0.000 0.828 192 D CB -0.025 40.813 40.800 0.065 0.000 1.049 192 D HN 0.408 nan 8.370 nan 0.000 0.490 193 L N 0.243 121.547 121.223 0.135 0.000 2.416 193 L HA 0.392 4.732 4.340 -0.000 0.000 0.262 193 L C 0.731 177.668 176.870 0.113 0.000 1.093 193 L CA -0.887 54.026 54.840 0.121 0.000 0.801 193 L CB 0.990 43.138 42.059 0.148 0.000 1.191 193 L HN -0.233 nan 8.230 nan 0.000 0.459 194 E N 0.352 120.603 120.200 0.085 0.000 2.331 194 E HA 0.081 4.431 4.350 -0.000 0.000 0.272 194 E C 0.961 177.605 176.600 0.074 0.000 1.036 194 E CA -0.171 56.264 56.400 0.059 0.000 0.864 194 E CB 1.410 31.136 29.700 0.043 0.000 1.035 194 E HN 0.490 nan 8.360 nan 0.000 0.408 195 I N 2.271 122.859 120.570 0.031 0.000 2.550 195 I HA -0.342 3.828 4.170 -0.000 0.000 0.265 195 I C 1.330 177.497 176.117 0.083 0.000 1.156 195 I CA 1.844 63.157 61.300 0.023 0.000 1.431 195 I CB 0.030 38.028 38.000 -0.005 0.000 1.110 195 I HN 0.676 nan 8.210 nan 0.000 0.455 196 G N -0.678 108.170 108.800 0.080 0.000 2.610 196 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.215 196 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.215 196 G C 1.293 176.255 174.900 0.104 0.000 1.243 196 G CA 0.460 45.608 45.100 0.080 0.000 0.847 196 G HN 0.429 nan 8.290 nan 0.000 0.560 197 Q N -0.506 119.351 119.800 0.095 0.000 2.197 197 Q HA -0.284 4.056 4.340 -0.000 0.000 0.211 197 Q C 2.191 178.265 176.000 0.123 0.000 0.993 197 Q CA 1.988 57.846 55.803 0.092 0.000 0.883 197 Q CB -0.289 28.497 28.738 0.080 0.000 0.916 197 Q HN 0.787 nan 8.270 nan 0.000 0.418 198 H N 0.294 119.395 119.070 0.052 0.000 2.353 198 H HA -0.010 4.546 4.556 -0.000 0.000 0.300 198 H C 1.533 176.900 175.328 0.065 0.000 1.090 198 H CA 1.306 57.391 56.048 0.062 0.000 1.327 198 H CB 0.247 30.045 29.762 0.060 0.000 1.383 198 H HN 0.029 nan 8.280 nan 0.000 0.508 199 R N -0.171 120.484 120.500 0.257 0.000 2.339 199 R HA -0.005 4.335 4.340 -0.000 0.000 0.199 199 R C 1.268 177.621 176.300 0.090 0.000 1.018 199 R CA 0.955 57.162 56.100 0.178 0.000 1.036 199 R CB 0.215 30.603 30.300 0.147 0.000 0.899 199 R HN 0.403 nan 8.270 nan 0.000 0.473 200 T N 0.590 115.189 114.554 0.074 0.000 2.837 200 T HA -0.053 4.297 4.350 -0.000 0.000 0.242 200 T C 1.566 176.296 174.700 0.050 0.000 1.044 200 T CA 0.500 62.635 62.100 0.057 0.000 1.202 200 T CB -0.097 68.806 68.868 0.058 0.000 0.905 200 T HN -0.025 nan 8.240 nan 0.000 0.413 201 K N 1.285 121.712 120.400 0.046 0.000 2.071 201 K HA -0.135 4.185 4.320 -0.000 0.000 0.217 201 K C 2.031 178.672 176.600 0.068 0.000 1.054 201 K CA 1.379 57.722 56.287 0.092 0.000 0.937 201 K CB -0.956 31.569 32.500 0.042 0.000 0.719 201 K HN 0.191 nan 8.250 nan 0.000 0.454 202 I N 0.870 121.423 120.570 -0.027 0.000 2.248 202 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 202 I C 2.186 178.292 176.117 -0.018 0.000 1.107 202 I CA 1.543 62.825 61.300 -0.030 0.000 1.373 202 I CB -1.173 36.825 38.000 -0.004 0.000 1.055 202 I HN 0.316 nan 8.210 nan 0.000 0.418 203 E N 1.148 121.354 120.200 0.008 0.000 2.072 203 E HA -0.187 4.163 4.350 -0.000 0.000 0.191 203 E C 2.088 178.683 176.600 -0.009 0.000 0.985 203 E CA 1.306 57.710 56.400 0.007 0.000 0.801 203 E CB -0.047 29.669 29.700 0.026 0.000 0.750 203 E HN 0.476 nan 8.360 nan 0.000 0.452 204 E N -0.229 119.976 120.200 0.009 0.000 2.051 204 E HA -0.195 4.155 4.350 -0.000 0.000 0.192 204 E C 2.068 178.577 176.600 -0.152 0.000 0.991 204 E CA 1.168 57.574 56.400 0.010 0.000 0.799 204 E CB -0.275 29.508 29.700 0.138 0.000 0.748 204 E HN 0.193 nan 8.360 nan 0.000 0.449 205 L N 1.539 122.527 121.223 -0.393 0.000 2.012 205 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 205 L C 2.290 178.978 176.870 -0.303 0.000 1.073 205 L CA 1.862 56.228 54.840 -0.790 0.000 0.748 205 L CB -0.415 41.251 42.059 -0.655 0.000 0.891 205 L HN -0.054 nan 8.230 nan 0.000 0.431 206 R N -1.215 119.191 120.500 -0.156 0.000 2.083 206 R HA -0.183 4.157 4.340 -0.000 0.000 0.237 206 R C 2.310 178.589 176.300 -0.036 0.000 1.137 206 R CA 1.764 57.822 56.100 -0.070 0.000 0.951 206 R CB -0.128 30.152 30.300 -0.033 0.000 0.851 206 R HN 0.521 nan 8.270 nan 0.000 0.434 207 Q N -0.570 119.219 119.800 -0.018 0.000 2.016 207 Q HA -0.198 4.142 4.340 -0.000 0.000 0.200 207 Q C 2.017 178.054 176.000 0.061 0.000 0.978 207 Q CA 1.694 57.509 55.803 0.019 0.000 0.833 207 Q CB -0.884 27.871 28.738 0.029 0.000 0.895 207 Q HN 0.494 nan 8.270 nan 0.000 0.427 208 H N 1.352 120.394 119.070 -0.046 0.000 2.267 208 H HA -0.164 4.392 4.556 -0.000 0.000 0.291 208 H C 2.093 177.524 175.328 0.170 0.000 1.094 208 H CA 2.187 58.255 56.048 0.034 0.000 1.227 208 H CB -0.635 29.070 29.762 -0.096 0.000 1.351 208 H HN 0.128 nan 8.280 nan 0.000 0.483 209 L N -0.734 120.402 121.223 -0.145 0.000 1.971 209 L HA -0.220 4.120 4.340 -0.000 0.000 0.215 209 L C 2.759 179.660 176.870 0.052 0.000 1.072 209 L CA 1.529 56.301 54.840 -0.113 0.000 0.758 209 L CB -0.748 41.255 42.059 -0.092 0.000 0.889 209 L HN 0.318 nan 8.230 nan 0.000 0.433 210 L N -0.057 121.183 121.223 0.027 0.000 2.129 210 L HA -0.229 4.111 4.340 -0.000 0.000 0.212 210 L C 2.662 179.538 176.870 0.010 0.000 1.087 210 L CA 1.695 56.552 54.840 0.028 0.000 0.757 210 L CB -0.603 41.463 42.059 0.012 0.000 0.896 210 L HN 0.120 nan 8.230 nan 0.000 0.434 211 R N -1.720 118.772 120.500 -0.014 0.000 2.115 211 R HA -0.169 4.171 4.340 -0.000 0.000 0.230 211 R C 1.122 177.279 176.300 -0.239 0.000 1.111 211 R CA 1.619 57.635 56.100 -0.139 0.000 0.976 211 R CB -0.447 29.739 30.300 -0.189 0.000 0.870 211 R HN 0.448 nan 8.270 nan 0.000 0.445 212 W N 0.638 121.914 121.300 -0.040 0.000 3.430 212 W HA 0.187 4.847 4.660 -0.000 0.000 0.383 212 W C 1.184 177.697 176.519 -0.011 0.000 1.129 212 W CA 0.554 57.879 57.345 -0.033 0.000 1.805 212 W CB -0.084 29.323 29.460 -0.087 0.000 0.966 212 W HN 0.299 nan 8.180 nan 0.000 0.797 213 G N 0.336 109.196 108.800 0.100 0.000 2.238 213 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.270 213 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.270 213 G C 0.290 175.250 174.900 0.100 0.000 0.977 213 G CA 0.137 45.290 45.100 0.088 0.000 0.639 213 G HN 0.265 nan 8.290 nan 0.000 0.544 214 L N 2.440 123.738 121.223 0.125 0.000 2.312 214 L HA 0.294 4.634 4.340 -0.000 0.000 0.287 214 L C 0.409 177.319 176.870 0.066 0.000 1.091 214 L CA -0.255 54.649 54.840 0.108 0.000 0.846 214 L CB 0.633 42.768 42.059 0.126 0.000 1.219 214 L HN 0.048 nan 8.230 nan 0.000 0.439 215 T N 1.333 115.915 114.554 0.047 0.000 2.832 215 T HA 0.333 4.683 4.350 -0.000 0.000 0.296 215 T C 0.515 175.229 174.700 0.023 0.000 0.968 215 T CA -0.417 61.699 62.100 0.026 0.000 1.107 215 T CB 1.091 69.967 68.868 0.013 0.000 0.916 215 T HN 0.646 nan 8.240 nan 0.000 0.517 216 T N 1.435 116.001 114.554 0.019 0.000 2.932 216 T HA 0.751 5.101 4.350 -0.000 0.000 0.289 216 T C -2.898 171.809 174.700 0.012 0.000 1.039 216 T CA -2.050 60.061 62.100 0.018 0.000 1.024 216 T CB 1.355 70.234 68.868 0.018 0.000 1.090 216 T HN 0.240 nan 8.240 nan 0.000 0.496 217 P HA 0.496 nan 4.420 nan 0.000 0.282 217 P C -0.002 177.306 177.300 0.013 0.000 1.259 217 P CA -0.542 62.565 63.100 0.012 0.000 0.826 217 P CB 0.955 32.662 31.700 0.013 0.000 1.064 218 D N -0.351 120.058 120.400 0.015 0.000 2.380 218 D HA 0.104 4.744 4.640 -0.000 0.000 0.212 218 D C 0.051 176.365 176.300 0.023 0.000 1.021 218 D CA 0.941 54.952 54.000 0.019 0.000 0.884 218 D CB 0.666 41.478 40.800 0.019 0.000 1.001 218 D HN 0.277 nan 8.370 nan 0.000 0.506 219 K N 0.047 120.461 120.400 0.024 0.000 2.556 219 K HA 0.450 4.770 4.320 -0.000 0.000 0.274 219 K C -1.058 175.563 176.600 0.035 0.000 0.966 219 K CA -0.657 55.648 56.287 0.029 0.000 0.865 219 K CB 3.131 35.650 32.500 0.032 0.000 1.444 219 K HN -0.224 nan 8.250 nan 0.000 0.433 220 K N -0.005 120.422 120.400 0.046 0.000 2.842 220 K HA 0.192 4.512 4.320 -0.000 0.000 0.293 220 K C -2.026 174.633 176.600 0.098 0.000 1.068 220 K CA -0.691 55.636 56.287 0.067 0.000 0.827 220 K CB 0.599 33.129 32.500 0.051 0.000 1.524 220 K HN 0.584 nan 8.250 nan 0.000 0.368 221 H N 1.496 120.575 119.070 0.016 0.000 2.934 221 H HA 0.428 4.984 4.556 -0.000 0.000 0.273 221 H C -0.628 174.715 175.328 0.025 0.000 1.121 221 H CA 0.884 56.943 56.048 0.018 0.000 1.451 221 H CB 0.506 30.276 29.762 0.014 0.000 1.469 221 H HN 0.463 nan 8.280 nan 0.000 0.476 222 Q N 2.429 122.069 119.800 -0.267 0.000 2.922 222 Q HA 0.464 4.804 4.340 -0.000 0.000 0.392 222 Q C -0.906 174.979 176.000 -0.193 0.000 0.689 222 Q CA -0.954 54.745 55.803 -0.173 0.000 0.905 222 Q CB 1.176 29.892 28.738 -0.036 0.000 1.222 222 Q HN 0.652 nan 8.270 nan 0.000 0.432 223 K N -1.301 119.070 120.400 -0.049 0.000 2.556 223 K HA 0.721 5.041 4.320 -0.000 0.000 0.289 223 K C -1.060 175.546 176.600 0.010 0.000 1.040 223 K CA -0.843 55.414 56.287 -0.050 0.000 0.894 223 K CB 1.994 34.452 32.500 -0.069 0.000 1.547 223 K HN 0.363 nan 8.250 nan 0.000 0.417 224 E N -0.031 120.084 120.200 -0.142 0.000 2.476 224 E HA 0.386 4.736 4.350 -0.000 0.000 0.246 224 E C -2.514 173.626 176.600 -0.766 0.000 0.872 224 E CA -2.633 53.571 56.400 -0.327 0.000 0.867 224 E CB 1.438 31.054 29.700 -0.140 0.000 1.533 224 E HN 0.544 nan 8.360 nan 0.000 0.399 225 P HA -0.055 nan 4.420 nan 0.000 0.212 225 P C -2.427 174.615 177.300 -0.430 0.000 0.974 225 P CA -0.319 62.391 63.100 -0.649 0.000 1.226 225 P CB -1.128 30.396 31.700 -0.293 0.000 1.258 226 P HA 0.001 nan 4.420 nan 0.000 0.264 226 P C -0.457 176.472 177.300 -0.618 0.000 1.173 226 P CA 0.799 63.421 63.100 -0.796 0.000 0.761 226 P CB 0.110 31.456 31.700 -0.590 0.000 0.794 227 F N 2.039 121.916 119.950 -0.121 0.000 2.480 227 F HA 0.305 4.832 4.527 -0.000 0.000 0.329 227 F C 0.083 175.952 175.800 0.115 0.000 1.091 227 F CA -1.197 56.813 58.000 0.016 0.000 0.972 227 F CB 1.170 40.196 39.000 0.044 0.000 1.150 227 F HN 0.027 nan 8.300 nan 0.000 0.467 228 L N 1.722 123.163 121.223 0.364 0.000 2.315 228 L HA 0.396 4.736 4.340 -0.000 0.000 0.278 228 L C -0.916 176.192 176.870 0.396 0.000 1.088 228 L CA -1.203 53.813 54.840 0.294 0.000 0.899 228 L CB -0.921 41.248 42.059 0.183 0.000 1.277 228 L HN 0.631 nan 8.230 nan 0.000 0.431 229 W N 4.634 126.063 121.300 0.216 0.000 2.492 229 W HA 0.595 5.255 4.660 -0.000 0.000 0.373 229 W C 0.355 176.971 176.519 0.161 0.000 1.323 229 W CA -1.713 55.738 57.345 0.177 0.000 1.406 229 W CB 0.967 30.510 29.460 0.138 0.000 1.398 229 W HN 0.354 nan 8.180 nan 0.000 0.671 230 M N 3.932 123.214 119.600 -0.530 0.000 2.751 230 M HA 0.024 4.504 4.480 -0.000 0.000 0.374 230 M C 1.338 177.568 176.300 -0.117 0.000 1.801 230 M CA 1.940 56.997 55.300 -0.404 0.000 1.188 230 M CB -1.367 30.851 32.600 -0.637 0.000 2.134 230 M HN 0.933 nan 8.290 nan 0.000 0.470 231 G N 3.376 112.117 108.800 -0.098 0.000 2.205 231 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.269 231 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.269 231 G C -0.303 174.669 174.900 0.120 0.000 0.977 231 G CA 0.396 45.429 45.100 -0.113 0.000 0.652 231 G HN 0.686 nan 8.290 nan 0.000 0.539 232 Y N 0.078 120.595 120.300 0.362 0.000 2.360 232 Y HA 0.555 5.105 4.550 -0.000 0.000 0.337 232 Y C 0.578 176.731 175.900 0.421 0.000 1.039 232 Y CA -0.882 57.509 58.100 0.485 0.000 1.109 232 Y CB 1.456 40.252 38.460 0.559 0.000 1.201 232 Y HN 0.099 nan 8.280 nan 0.000 0.458 233 E N 4.182 124.706 120.200 0.541 0.000 2.001 233 E HA 0.278 4.628 4.350 -0.000 0.000 0.279 233 E C -1.318 175.536 176.600 0.424 0.000 1.045 233 E CA -0.313 56.311 56.400 0.374 0.000 0.833 233 E CB 0.368 30.255 29.700 0.311 0.000 1.077 233 E HN 0.571 nan 8.360 nan 0.000 0.397 234 L N 5.514 126.941 121.223 0.340 0.000 2.260 234 L HA 0.304 4.644 4.340 -0.000 0.000 0.289 234 L C 0.148 177.098 176.870 0.133 0.000 1.057 234 L CA -0.316 54.739 54.840 0.358 0.000 0.811 234 L CB 0.481 42.768 42.059 0.381 0.000 1.184 234 L HN 0.425 nan 8.230 nan 0.000 0.429 235 H N 3.422 122.632 119.070 0.232 0.000 2.622 235 H HA 0.228 4.784 4.556 -0.000 0.000 0.363 235 H C -1.781 173.606 175.328 0.098 0.000 1.151 235 H CA -1.834 54.266 56.048 0.086 0.000 1.184 235 H CB 2.120 31.864 29.762 -0.031 0.000 1.643 235 H HN 0.283 nan 8.280 nan 0.000 0.531 236 P HA -0.202 nan 4.420 nan 0.000 0.218 236 P C 0.544 177.871 177.300 0.044 0.000 1.147 236 P CA 1.807 64.988 63.100 0.134 0.000 0.827 236 P CB 0.299 32.046 31.700 0.079 0.000 0.778 237 D N -3.326 117.011 120.400 -0.105 0.000 2.567 237 D HA 0.062 4.702 4.640 -0.000 0.000 0.268 237 D C 0.049 176.088 176.300 -0.435 0.000 1.448 237 D CA -0.096 53.745 54.000 -0.266 0.000 0.811 237 D CB 0.164 40.885 40.800 -0.132 0.000 1.192 237 D HN 0.249 nan 8.370 nan 0.000 0.488 238 K N -0.328 119.831 120.400 -0.402 0.000 2.568 238 K HA 0.540 4.860 4.320 -0.000 0.000 0.273 238 K C -1.293 175.328 176.600 0.034 0.000 0.951 238 K CA -0.981 55.144 56.287 -0.271 0.000 0.854 238 K CB 2.019 34.324 32.500 -0.325 0.000 1.424 238 K HN 0.073 nan 8.250 nan 0.000 0.427 239 W N 0.582 121.947 121.300 0.108 0.000 3.032 239 W HA 0.816 5.476 4.660 -0.000 0.000 0.341 239 W C -1.465 175.232 176.519 0.296 0.000 1.202 239 W CA -0.999 56.534 57.345 0.313 0.000 1.132 239 W CB 1.335 31.069 29.460 0.456 0.000 1.465 239 W HN 0.867 nan 8.180 nan 0.000 0.576 240 T N -0.355 114.326 114.554 0.212 0.000 2.636 240 T HA 0.303 4.653 4.350 -0.000 0.000 0.298 240 T C -1.676 173.217 174.700 0.322 0.000 1.849 240 T CA -0.443 61.582 62.100 -0.125 0.000 0.963 240 T CB 0.693 69.486 68.868 -0.126 0.000 1.907 240 T HN 0.565 nan 8.240 nan 0.000 0.496 241 V N 2.454 122.502 119.914 0.223 0.000 2.607 241 V HA 0.467 4.587 4.120 -0.000 0.000 0.289 241 V C 0.668 176.938 176.094 0.294 0.000 1.053 241 V CA -0.740 61.764 62.300 0.341 0.000 0.996 241 V CB 1.119 33.184 31.823 0.403 0.000 0.995 241 V HN 0.830 nan 8.190 nan 0.000 0.476 242 Q N 3.102 123.058 119.800 0.259 0.000 2.330 242 Q HA 0.168 4.508 4.340 -0.000 0.000 0.279 242 Q C -2.255 173.836 176.000 0.152 0.000 1.024 242 Q CA -1.400 54.506 55.803 0.172 0.000 0.900 242 Q CB 0.008 28.806 28.738 0.101 0.000 1.221 242 Q HN 0.523 nan 8.270 nan 0.000 0.396 243 P HA -0.153 nan 4.420 nan 0.000 0.257 243 P C -0.476 176.863 177.300 0.065 0.000 1.162 243 P CA 0.722 63.883 63.100 0.101 0.000 0.762 243 P CB 0.062 31.805 31.700 0.072 0.000 0.753 244 I N 0.243 120.850 120.570 0.063 0.000 2.834 244 I HA 0.478 4.648 4.170 -0.000 0.000 0.305 244 I C -0.320 175.799 176.117 0.004 0.000 1.008 244 I CA -0.934 60.385 61.300 0.031 0.000 1.273 244 I CB 1.121 39.148 38.000 0.044 0.000 1.432 244 I HN -0.072 nan 8.210 nan 0.000 0.557 245 V N 5.186 125.100 119.914 -0.000 0.000 2.398 245 V HA 0.299 4.419 4.120 -0.000 0.000 0.282 245 V C -0.054 176.051 176.094 0.018 0.000 1.014 245 V CA -0.354 61.947 62.300 0.002 0.000 0.838 245 V CB 1.280 33.100 31.823 -0.004 0.000 1.018 245 V HN 0.509 nan 8.190 nan 0.000 0.432 246 L N 8.103 129.340 121.223 0.024 0.000 2.312 246 L HA 0.392 4.732 4.340 -0.000 0.000 0.287 246 L C -1.759 175.164 176.870 0.089 0.000 1.091 246 L CA -1.308 53.568 54.840 0.060 0.000 0.846 246 L CB 1.201 43.284 42.059 0.040 0.000 1.219 246 L HN 0.424 nan 8.230 nan 0.000 0.439 247 P HA 0.188 nan 4.420 nan 0.000 0.280 247 P C -0.860 176.529 177.300 0.148 0.000 1.244 247 P CA -0.397 62.743 63.100 0.068 0.000 0.784 247 P CB 1.221 32.919 31.700 -0.004 0.000 0.913 248 E N 2.426 122.659 120.200 0.055 0.000 2.214 248 E HA 0.490 4.839 4.350 -0.000 0.000 0.274 248 E C -0.163 176.333 176.600 -0.173 0.000 0.977 248 E CA -0.751 55.716 56.400 0.112 0.000 0.827 248 E CB 1.772 31.532 29.700 0.100 0.000 1.130 248 E HN 0.381 nan 8.360 nan 0.000 0.394 249 K N 0.998 121.223 120.400 -0.291 0.000 2.533 249 K HA 0.204 4.524 4.320 -0.000 0.000 0.284 249 K C -0.356 176.055 176.600 -0.316 0.000 1.025 249 K CA -0.802 55.157 56.287 -0.548 0.000 0.900 249 K CB 1.525 33.346 32.500 -1.133 0.000 1.519 249 K HN 0.287 nan 8.250 nan 0.000 0.432 250 D N 0.631 120.864 120.400 -0.278 0.000 2.232 250 D HA -0.053 4.587 4.640 -0.000 0.000 0.220 250 D C 0.425 176.688 176.300 -0.062 0.000 0.982 250 D CA 1.294 55.232 54.000 -0.104 0.000 0.892 250 D CB 0.134 40.883 40.800 -0.086 0.000 1.040 250 D HN 0.475 nan 8.370 nan 0.000 0.463 251 S N -0.242 115.373 115.700 -0.142 0.000 2.456 251 S HA 0.478 4.948 4.470 -0.000 0.000 0.316 251 S C -1.000 173.545 174.600 -0.093 0.000 1.089 251 S CA -0.908 57.276 58.200 -0.027 0.000 1.101 251 S CB 0.873 64.061 63.200 -0.020 0.000 0.995 251 S HN 0.075 nan 8.310 nan 0.000 0.468 252 W N 1.460 122.756 121.300 -0.007 0.000 2.512 252 W HA 0.684 5.344 4.660 -0.000 0.000 0.335 252 W C 0.702 177.217 176.519 -0.007 0.000 1.088 252 W CA -0.436 56.904 57.345 -0.008 0.000 1.236 252 W CB 1.872 31.327 29.460 -0.008 0.000 1.307 252 W HN 0.708 nan 8.180 nan 0.000 0.567 253 T N 0.170 114.864 114.554 0.232 0.000 2.916 253 T HA 0.299 4.649 4.350 -0.000 0.000 0.292 253 T C 0.776 175.550 174.700 0.124 0.000 1.064 253 T CA -0.637 61.542 62.100 0.132 0.000 1.011 253 T CB 1.341 70.249 68.868 0.067 0.000 1.152 253 T HN 0.184 nan 8.240 nan 0.000 0.510 254 V N 3.142 123.103 119.914 0.078 0.000 2.231 254 V HA -0.219 3.900 4.120 -0.000 0.000 0.250 254 V C 2.808 178.940 176.094 0.063 0.000 1.058 254 V CA 2.570 64.905 62.300 0.059 0.000 1.022 254 V CB -0.868 30.977 31.823 0.037 0.000 0.640 254 V HN 0.933 nan 8.190 nan 0.000 0.445 255 N N 0.112 118.842 118.700 0.051 0.000 2.096 255 N HA -0.239 4.501 4.740 -0.000 0.000 0.195 255 N C 1.518 177.066 175.510 0.063 0.000 1.017 255 N CA 2.377 55.452 53.050 0.043 0.000 0.870 255 N CB -0.306 38.197 38.487 0.027 0.000 1.024 255 N HN 0.573 nan 8.380 nan 0.000 0.434 256 D N 0.676 121.135 120.400 0.098 0.000 2.110 256 D HA -0.052 4.588 4.640 -0.000 0.000 0.202 256 D C 2.108 178.534 176.300 0.210 0.000 0.975 256 D CA 0.254 54.347 54.000 0.156 0.000 0.839 256 D CB -0.418 40.503 40.800 0.201 0.000 0.996 256 D HN 0.312 nan 8.370 nan 0.000 0.464 257 I N 1.111 121.804 120.570 0.206 0.000 2.185 257 I HA -0.365 3.805 4.170 -0.000 0.000 0.246 257 I C 2.313 178.467 176.117 0.061 0.000 1.088 257 I CA 1.405 62.772 61.300 0.112 0.000 1.347 257 I CB 0.087 38.119 38.000 0.053 0.000 1.041 257 I HN 0.042 nan 8.210 nan 0.000 0.415 258 Q N 0.183 120.019 119.800 0.060 0.000 1.965 258 Q HA -0.255 4.085 4.340 -0.000 0.000 0.200 258 Q C 2.188 178.218 176.000 0.049 0.000 0.981 258 Q CA 1.432 57.260 55.803 0.042 0.000 0.834 258 Q CB -0.286 28.473 28.738 0.035 0.000 0.900 258 Q HN 0.405 nan 8.270 nan 0.000 0.426 259 K N 0.456 120.890 120.400 0.056 0.000 2.366 259 K HA -0.209 4.111 4.320 -0.000 0.000 0.202 259 K C 1.959 178.598 176.600 0.064 0.000 1.045 259 K CA 0.757 57.074 56.287 0.050 0.000 0.934 259 K CB -0.116 32.411 32.500 0.045 0.000 0.746 259 K HN 0.084 nan 8.250 nan 0.000 0.470 260 L N -0.233 121.042 121.223 0.086 0.000 2.062 260 L HA -0.104 4.236 4.340 -0.000 0.000 0.202 260 L C 1.921 178.820 176.870 0.048 0.000 1.079 260 L CA 1.302 56.193 54.840 0.085 0.000 0.755 260 L CB -0.574 41.538 42.059 0.088 0.000 0.913 260 L HN -0.164 nan 8.230 nan 0.000 0.445 261 V N 0.946 120.878 119.914 0.030 0.000 2.231 261 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 261 V C 2.678 178.805 176.094 0.056 0.000 1.054 261 V CA 2.128 64.444 62.300 0.026 0.000 1.015 261 V CB -1.984 29.848 31.823 0.014 0.000 0.638 261 V HN 0.669 nan 8.190 nan 0.000 0.444 262 G N -0.380 108.456 108.800 0.060 0.000 2.469 262 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.219 262 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.219 262 G C 1.650 176.621 174.900 0.119 0.000 1.150 262 G CA 1.244 46.394 45.100 0.085 0.000 0.763 262 G HN 0.523 nan 8.290 nan 0.000 0.561 263 K N -0.249 120.202 120.400 0.085 0.000 2.025 263 K HA 0.091 4.411 4.320 -0.000 0.000 0.207 263 K C 2.551 179.240 176.600 0.147 0.000 1.049 263 K CA 0.691 57.034 56.287 0.093 0.000 0.933 263 K CB -0.320 32.208 32.500 0.047 0.000 0.714 263 K HN 0.254 nan 8.250 nan 0.000 0.438 264 L N 1.456 122.739 121.223 0.100 0.000 1.971 264 L HA -0.289 4.051 4.340 -0.000 0.000 0.215 264 L C 2.130 179.074 176.870 0.123 0.000 1.072 264 L CA 1.283 56.175 54.840 0.086 0.000 0.758 264 L CB -0.583 41.500 42.059 0.041 0.000 0.889 264 L HN 0.241 nan 8.230 nan 0.000 0.433 265 N N -0.545 118.229 118.700 0.125 0.000 2.018 265 N HA -0.301 4.439 4.740 -0.000 0.000 0.196 265 N C 1.473 177.078 175.510 0.158 0.000 1.043 265 N CA 1.625 54.748 53.050 0.122 0.000 0.856 265 N CB -0.719 37.837 38.487 0.115 0.000 1.042 265 N HN 0.500 nan 8.380 nan 0.000 0.423 266 W N 2.062 123.396 121.300 0.057 0.000 2.292 266 W HA -0.262 4.398 4.660 -0.000 0.000 0.304 266 W C 1.910 178.498 176.519 0.115 0.000 1.228 266 W CA 2.232 59.615 57.345 0.064 0.000 1.241 266 W CB -0.409 29.061 29.460 0.018 0.000 1.142 266 W HN 0.097 nan 8.180 nan 0.000 0.520 267 A N -0.285 122.708 122.820 0.289 0.000 1.968 267 A HA -0.168 4.152 4.320 -0.000 0.000 0.217 267 A C 2.074 179.825 177.584 0.278 0.000 1.169 267 A CA 1.828 54.066 52.037 0.334 0.000 0.638 267 A CB -1.229 17.931 19.000 0.267 0.000 0.812 267 A HN 0.259 nan 8.150 nan 0.000 0.446 268 S N -0.132 115.660 115.700 0.154 0.000 2.420 268 S HA -0.267 4.203 4.470 -0.000 0.000 0.237 268 S C 1.996 176.629 174.600 0.057 0.000 1.023 268 S CA 1.746 60.004 58.200 0.097 0.000 0.991 268 S CB -0.483 62.745 63.200 0.048 0.000 0.792 268 S HN 0.720 nan 8.310 nan 0.000 0.488 269 Q N -0.752 119.083 119.800 0.057 0.000 2.268 269 Q HA -0.136 4.204 4.340 -0.000 0.000 0.210 269 Q C 1.629 177.753 176.000 0.207 0.000 0.988 269 Q CA 1.553 57.450 55.803 0.156 0.000 0.883 269 Q CB -0.125 28.797 28.738 0.306 0.000 0.911 269 Q HN 0.642 nan 8.270 nan 0.000 0.430 270 I N -2.852 117.754 120.570 0.060 0.000 4.983 270 I HA 0.067 4.236 4.170 -0.000 0.000 0.346 270 I C -0.772 175.187 176.117 -0.263 0.000 1.261 270 I CA -0.283 60.939 61.300 -0.129 0.000 1.406 270 I CB 0.925 38.695 38.000 -0.384 0.000 1.529 270 I HN -0.088 nan 8.210 nan 0.000 0.524 271 Y N 3.121 123.418 120.300 -0.006 0.000 2.613 271 Y HA 0.274 4.824 4.550 -0.000 0.000 0.354 271 Y C -1.318 174.576 175.900 -0.010 0.000 1.063 271 Y CA -1.552 56.541 58.100 -0.012 0.000 1.384 271 Y CB -0.089 38.373 38.460 0.003 0.000 1.199 271 Y HN 0.115 nan 8.280 nan 0.000 0.517 272 P HA -0.327 nan 4.420 nan 0.000 0.227 272 P C 1.331 178.662 177.300 0.052 0.000 1.106 272 P CA 2.689 65.820 63.100 0.051 0.000 0.998 272 P CB 0.182 31.910 31.700 0.047 0.000 0.769 273 G N -2.757 106.081 108.800 0.063 0.000 3.277 273 G HA2 0.129 4.089 3.960 -0.000 0.000 0.243 273 G HA3 0.129 4.089 3.960 -0.000 0.000 0.243 273 G C 0.281 175.203 174.900 0.035 0.000 1.107 273 G CA -0.212 44.912 45.100 0.040 0.000 0.771 273 G HN 0.123 nan 8.290 nan 0.000 0.544 274 I N 1.631 122.234 120.570 0.055 0.000 3.214 274 I HA -0.115 4.055 4.170 -0.000 0.000 0.332 274 I C 0.343 176.473 176.117 0.021 0.000 1.225 274 I CA 1.149 62.472 61.300 0.040 0.000 1.453 274 I CB -0.340 37.699 38.000 0.064 0.000 1.321 274 I HN 0.156 nan 8.210 nan 0.000 0.518 275 K N 5.224 125.627 120.400 0.005 0.000 2.208 275 K HA 0.643 4.963 4.320 -0.000 0.000 0.247 275 K C 0.192 176.786 176.600 -0.010 0.000 0.953 275 K CA -0.706 55.578 56.287 -0.005 0.000 0.837 275 K CB 2.593 35.083 32.500 -0.017 0.000 1.131 275 K HN 0.326 nan 8.250 nan 0.000 0.431 276 V N 0.921 120.828 119.914 -0.012 0.000 3.623 276 V HA 0.020 4.140 4.120 -0.000 0.000 0.283 276 V C 1.558 177.636 176.094 -0.027 0.000 1.643 276 V CA -0.223 62.066 62.300 -0.018 0.000 1.121 276 V CB 0.335 32.157 31.823 -0.003 0.000 0.933 276 V HN 0.742 nan 8.190 nan 0.000 0.420 277 R N 0.987 121.471 120.500 -0.027 0.000 2.112 277 R HA -0.224 4.116 4.340 -0.000 0.000 0.242 277 R C 2.122 178.399 176.300 -0.038 0.000 1.137 277 R CA 2.289 58.370 56.100 -0.031 0.000 0.944 277 R CB 0.007 30.288 30.300 -0.030 0.000 0.857 277 R HN 0.476 nan 8.270 nan 0.000 0.435 278 Q N 0.567 120.339 119.800 -0.046 0.000 1.993 278 Q HA -0.152 4.188 4.340 -0.000 0.000 0.202 278 Q C 2.377 178.336 176.000 -0.068 0.000 0.984 278 Q CA 1.424 57.194 55.803 -0.056 0.000 0.837 278 Q CB -0.480 28.221 28.738 -0.062 0.000 0.902 278 Q HN 0.449 nan 8.270 nan 0.000 0.423 279 L N 0.682 121.857 121.223 -0.080 0.000 2.187 279 L HA -0.184 4.156 4.340 -0.000 0.000 0.213 279 L C 2.312 179.139 176.870 -0.073 0.000 1.100 279 L CA 0.992 55.771 54.840 -0.101 0.000 0.765 279 L CB -0.383 41.608 42.059 -0.112 0.000 0.904 279 L HN 0.143 nan 8.230 nan 0.000 0.437 280 S N -0.593 115.078 115.700 -0.049 0.000 2.388 280 S HA -0.125 4.345 4.470 -0.000 0.000 0.223 280 S C 1.896 176.478 174.600 -0.031 0.000 1.034 280 S CA 0.623 58.803 58.200 -0.033 0.000 0.963 280 S CB -0.010 63.176 63.200 -0.023 0.000 0.827 280 S HN 0.316 nan 8.310 nan 0.000 0.481 281 K N 1.600 121.978 120.400 -0.035 0.000 2.173 281 K HA -0.082 4.238 4.320 -0.000 0.000 0.207 281 K C 1.317 177.899 176.600 -0.031 0.000 1.046 281 K CA 1.047 57.315 56.287 -0.032 0.000 0.929 281 K CB -0.358 32.120 32.500 -0.036 0.000 0.720 281 K HN 0.320 nan 8.250 nan 0.000 0.453 282 L N 1.138 122.337 121.223 -0.040 0.000 2.675 282 L HA -0.060 4.280 4.340 -0.000 0.000 0.238 282 L C 1.274 178.130 176.870 -0.023 0.000 1.155 282 L CA -0.134 54.684 54.840 -0.037 0.000 0.881 282 L CB -0.090 41.934 42.059 -0.059 0.000 1.008 282 L HN 0.197 nan 8.230 nan 0.000 0.443 283 L N -0.060 121.153 121.223 -0.017 0.000 3.014 283 L HA 0.144 4.484 4.340 -0.000 0.000 0.263 283 L C 2.081 178.948 176.870 -0.004 0.000 1.207 283 L CA 0.309 55.145 54.840 -0.006 0.000 1.017 283 L CB -0.235 41.822 42.059 -0.003 0.000 1.360 283 L HN 0.148 nan 8.230 nan 0.000 0.560 284 R N -0.725 119.771 120.500 -0.007 0.000 2.170 284 R HA -0.055 4.285 4.340 -0.000 0.000 0.242 284 R C 1.252 177.551 176.300 -0.001 0.000 1.145 284 R CA 1.215 57.312 56.100 -0.005 0.000 0.984 284 R CB -1.181 29.115 30.300 -0.007 0.000 0.869 284 R HN 0.361 nan 8.270 nan 0.000 0.455 285 G N 1.355 110.155 108.800 0.001 0.000 2.991 285 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.262 285 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.262 285 G C -0.509 174.394 174.900 0.006 0.000 0.765 285 G CA -0.326 44.777 45.100 0.004 0.000 2.051 285 G HN 0.230 nan 8.290 nan 0.000 0.602 286 T N 0.894 115.451 114.554 0.005 0.000 4.216 286 T HA 0.188 4.538 4.350 -0.000 0.000 0.221 286 T C 1.127 175.832 174.700 0.007 0.000 0.939 286 T CA 0.651 62.755 62.100 0.007 0.000 1.218 286 T CB -0.295 68.576 68.868 0.006 0.000 1.266 286 T HN 0.863 nan 8.240 nan 0.000 0.917 287 K N 0.233 120.639 120.400 0.009 0.000 2.877 287 K HA 0.460 4.780 4.320 -0.000 0.000 0.284 287 K C 0.262 176.868 176.600 0.010 0.000 2.569 287 K CA -0.541 55.751 56.287 0.009 0.000 1.382 287 K CB 0.033 32.537 32.500 0.008 0.000 2.864 287 K HN 0.100 nan 8.250 nan 0.000 0.376 288 A N 1.978 124.805 122.820 0.011 0.000 2.561 288 A HA 0.157 4.477 4.320 -0.000 0.000 0.251 288 A C 0.894 178.487 177.584 0.016 0.000 1.062 288 A CA -0.077 51.968 52.037 0.013 0.000 0.761 288 A CB -0.023 18.986 19.000 0.014 0.000 0.986 288 A HN 0.493 nan 8.150 nan 0.000 0.510 289 L N 3.037 124.269 121.223 0.014 0.000 2.179 289 L HA 0.043 4.383 4.340 -0.000 0.000 0.208 289 L C 1.996 178.877 176.870 0.019 0.000 1.096 289 L CA 2.502 57.352 54.840 0.016 0.000 0.779 289 L CB 0.012 42.077 42.059 0.010 0.000 0.922 289 L HN 0.679 nan 8.230 nan 0.000 0.443 290 T N -1.258 113.306 114.554 0.016 0.000 3.054 290 T HA 0.055 4.405 4.350 -0.000 0.000 0.255 290 T C 0.564 175.277 174.700 0.021 0.000 1.035 290 T CA -0.294 61.816 62.100 0.016 0.000 0.941 290 T CB -0.077 68.796 68.868 0.008 0.000 1.026 290 T HN 0.261 nan 8.240 nan 0.000 0.533 291 E N 3.259 123.472 120.200 0.023 0.000 2.037 291 E HA 0.068 4.418 4.350 -0.000 0.000 0.253 291 E C -0.336 176.286 176.600 0.037 0.000 1.265 291 E CA -0.243 56.172 56.400 0.025 0.000 0.972 291 E CB 0.031 29.744 29.700 0.021 0.000 1.054 291 E HN 0.096 nan 8.360 nan 0.000 0.432 292 V N 6.434 126.372 119.914 0.040 0.000 2.681 292 V HA -0.099 4.021 4.120 -0.000 0.000 0.306 292 V C 0.699 176.832 176.094 0.065 0.000 1.077 292 V CA 0.942 63.279 62.300 0.061 0.000 1.224 292 V CB -0.116 31.737 31.823 0.050 0.000 0.879 292 V HN 0.535 nan 8.190 nan 0.000 0.494 293 I N 6.715 127.340 120.570 0.091 0.000 2.465 293 I HA 0.399 4.569 4.170 -0.000 0.000 0.291 293 I C -2.365 173.798 176.117 0.076 0.000 1.014 293 I CA -2.205 59.135 61.300 0.065 0.000 1.093 293 I CB 2.369 40.394 38.000 0.042 0.000 1.267 293 I HN 0.462 nan 8.210 nan 0.000 0.431 294 P HA 0.068 nan 4.420 nan 0.000 0.271 294 P C -0.161 177.131 177.300 -0.013 0.000 1.226 294 P CA -0.438 62.685 63.100 0.038 0.000 0.765 294 P CB 0.517 32.230 31.700 0.022 0.000 0.835 295 L N 3.868 125.064 121.223 -0.045 0.000 2.803 295 L HA 0.053 4.393 4.340 -0.000 0.000 0.241 295 L C 0.416 177.225 176.870 -0.102 0.000 1.404 295 L CA 0.401 55.145 54.840 -0.160 0.000 1.211 295 L CB -1.872 39.993 42.059 -0.324 0.000 1.585 295 L HN 0.424 nan 8.230 nan 0.000 0.430 296 T N -2.695 111.822 114.554 -0.063 0.000 2.723 296 T HA -0.182 4.168 4.350 -0.000 0.000 0.260 296 T C 1.334 176.001 174.700 -0.056 0.000 1.019 296 T CA 0.251 62.324 62.100 -0.046 0.000 1.155 296 T CB 0.226 69.072 68.868 -0.037 0.000 1.024 296 T HN 0.501 nan 8.240 nan 0.000 0.491 297 E N 1.800 121.974 120.200 -0.042 0.000 2.722 297 E HA -0.360 3.990 4.350 -0.000 0.000 0.245 297 E C 2.019 178.588 176.600 -0.052 0.000 1.004 297 E CA 2.613 58.988 56.400 -0.041 0.000 1.405 297 E CB -0.274 29.409 29.700 -0.030 0.000 1.325 297 E HN 0.850 nan 8.360 nan 0.000 0.479 298 E N -0.365 119.805 120.200 -0.050 0.000 2.108 298 E HA -0.307 4.043 4.350 -0.000 0.000 0.203 298 E C 1.924 178.483 176.600 -0.069 0.000 1.022 298 E CA 1.400 57.768 56.400 -0.054 0.000 0.823 298 E CB -0.713 28.957 29.700 -0.049 0.000 0.744 298 E HN 0.439 nan 8.360 nan 0.000 0.456 299 A N 1.608 124.374 122.820 -0.089 0.000 1.834 299 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 299 A C 2.136 179.642 177.584 -0.130 0.000 1.203 299 A CA 1.882 53.847 52.037 -0.121 0.000 0.621 299 A CB -0.722 18.179 19.000 -0.164 0.000 0.841 299 A HN 0.190 nan 8.150 nan 0.000 0.446 300 E N -0.443 119.672 120.200 -0.141 0.000 2.132 300 E HA -0.284 4.066 4.350 -0.000 0.000 0.218 300 E C 1.950 178.500 176.600 -0.082 0.000 1.058 300 E CA 1.987 58.314 56.400 -0.122 0.000 0.882 300 E CB -0.670 28.979 29.700 -0.084 0.000 0.774 300 E HN 0.473 nan 8.360 nan 0.000 0.467 301 L N 1.594 122.779 121.223 -0.063 0.000 1.997 301 L HA -0.244 4.096 4.340 -0.000 0.000 0.216 301 L C 2.404 179.244 176.870 -0.050 0.000 1.074 301 L CA 2.808 57.620 54.840 -0.047 0.000 0.763 301 L CB -0.877 41.158 42.059 -0.041 0.000 0.890 301 L HN 0.243 nan 8.230 nan 0.000 0.434 302 E N -0.772 119.392 120.200 -0.060 0.000 2.021 302 E HA -0.310 4.040 4.350 -0.000 0.000 0.200 302 E C 2.251 178.814 176.600 -0.061 0.000 1.015 302 E CA 1.912 58.277 56.400 -0.058 0.000 0.824 302 E CB -0.471 29.190 29.700 -0.065 0.000 0.762 302 E HN 0.455 nan 8.360 nan 0.000 0.454 303 L N 1.018 122.190 121.223 -0.085 0.000 2.064 303 L HA -0.255 4.085 4.340 -0.000 0.000 0.216 303 L C 2.204 179.041 176.870 -0.055 0.000 1.077 303 L CA 2.623 57.411 54.840 -0.087 0.000 0.766 303 L CB -0.933 41.041 42.059 -0.142 0.000 0.890 303 L HN 0.255 nan 8.230 nan 0.000 0.435 304 A N -1.027 121.764 122.820 -0.047 0.000 1.897 304 A HA -0.157 4.163 4.320 -0.000 0.000 0.215 304 A C 2.060 179.627 177.584 -0.028 0.000 1.181 304 A CA 1.368 53.388 52.037 -0.029 0.000 0.620 304 A CB -0.617 18.369 19.000 -0.022 0.000 0.821 304 A HN 0.632 nan 8.150 nan 0.000 0.443 305 E N 0.116 120.298 120.200 -0.031 0.000 2.401 305 E HA -0.145 4.205 4.350 -0.000 0.000 0.199 305 E C 1.079 177.662 176.600 -0.027 0.000 1.023 305 E CA 0.725 57.110 56.400 -0.026 0.000 0.859 305 E CB -0.151 29.534 29.700 -0.026 0.000 0.780 305 E HN 0.560 nan 8.360 nan 0.000 0.523 306 N N 0.516 119.195 118.700 -0.035 0.000 2.387 306 N HA 0.027 4.767 4.740 -0.000 0.000 0.176 306 N C 1.644 177.118 175.510 -0.061 0.000 1.022 306 N CA 0.280 53.303 53.050 -0.044 0.000 0.883 306 N CB 0.083 38.543 38.487 -0.045 0.000 1.019 306 N HN 0.108 nan 8.380 nan 0.000 0.435 307 R N 1.018 121.490 120.500 -0.047 0.000 2.096 307 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 307 R C 1.756 178.028 176.300 -0.047 0.000 1.127 307 R CA 1.076 57.149 56.100 -0.046 0.000 0.968 307 R CB -0.076 30.211 30.300 -0.021 0.000 0.861 307 R HN 0.167 nan 8.270 nan 0.000 0.440 308 E N 0.951 121.130 120.200 -0.034 0.000 2.204 308 E HA -0.117 4.233 4.350 -0.000 0.000 0.194 308 E C 1.606 178.190 176.600 -0.026 0.000 0.989 308 E CA 1.033 57.419 56.400 -0.023 0.000 0.824 308 E CB 0.001 29.693 29.700 -0.013 0.000 0.756 308 E HN 0.316 nan 8.360 nan 0.000 0.477 309 I N -0.200 120.345 120.570 -0.041 0.000 2.206 309 I HA -0.200 3.970 4.170 -0.000 0.000 0.239 309 I C 2.159 178.204 176.117 -0.119 0.000 1.078 309 I CA 0.722 62.001 61.300 -0.034 0.000 1.367 309 I CB -0.361 37.628 38.000 -0.018 0.000 1.078 309 I HN 0.077 nan 8.210 nan 0.000 0.413 310 L N 0.848 121.904 121.223 -0.277 0.000 2.127 310 L HA -0.222 4.118 4.340 -0.000 0.000 0.211 310 L C 2.546 179.296 176.870 -0.200 0.000 1.089 310 L CA 1.249 55.792 54.840 -0.495 0.000 0.757 310 L CB -0.793 41.027 42.059 -0.399 0.000 0.899 310 L HN 0.261 nan 8.230 nan 0.000 0.434 311 K N 0.815 121.154 120.400 -0.101 0.000 2.189 311 K HA -0.194 4.126 4.320 -0.000 0.000 0.207 311 K C 0.655 177.255 176.600 0.001 0.000 1.046 311 K CA 1.393 57.658 56.287 -0.037 0.000 0.928 311 K CB 0.056 32.542 32.500 -0.022 0.000 0.720 311 K HN 0.304 nan 8.250 nan 0.000 0.458 312 E N 0.718 120.936 120.200 0.030 0.000 2.255 312 E HA 0.240 4.590 4.350 -0.000 0.000 0.245 312 E C -2.782 173.912 176.600 0.156 0.000 0.909 312 E CA -2.784 53.658 56.400 0.071 0.000 0.747 312 E CB 0.997 30.729 29.700 0.054 0.000 1.215 312 E HN -0.125 nan 8.360 nan 0.000 0.424 313 P HA -0.049 nan 4.420 nan 0.000 0.257 313 P C -0.810 176.552 177.300 0.104 0.000 1.162 313 P CA 0.287 63.507 63.100 0.200 0.000 0.762 313 P CB 0.604 32.379 31.700 0.125 0.000 0.753 314 V N 4.420 124.338 119.914 0.006 0.000 2.876 314 V HA 0.444 4.564 4.120 -0.000 0.000 0.312 314 V C 0.126 175.981 176.094 -0.398 0.000 1.085 314 V CA -0.595 61.542 62.300 -0.272 0.000 0.945 314 V CB 2.085 33.703 31.823 -0.342 0.000 1.017 314 V HN 0.685 nan 8.190 nan 0.000 0.428 315 H N 1.359 120.225 119.070 -0.339 0.000 2.869 315 H HA 0.882 5.438 4.556 -0.000 0.000 0.342 315 H C -0.387 174.635 175.328 -0.510 0.000 1.250 315 H CA -0.711 55.071 56.048 -0.443 0.000 1.217 315 H CB 2.342 31.904 29.762 -0.332 0.000 1.917 315 H HN 0.800 nan 8.280 nan 0.000 0.586 316 G N -0.254 108.181 108.800 -0.608 0.000 2.630 316 G HA2 0.462 4.422 3.960 -0.000 0.000 0.296 316 G HA3 0.462 4.422 3.960 -0.000 0.000 0.296 316 G C -1.125 173.708 174.900 -0.111 0.000 1.285 316 G CA -0.470 44.340 45.100 -0.483 0.000 0.958 316 G HN 0.531 nan 8.290 nan 0.000 0.479 317 V N -0.554 119.475 119.914 0.192 0.000 3.336 317 V HA 0.677 4.796 4.120 -0.000 0.000 0.314 317 V C -0.499 175.964 176.094 0.615 0.000 1.088 317 V CA -0.966 61.471 62.300 0.228 0.000 1.033 317 V CB 1.417 33.334 31.823 0.157 0.000 1.181 317 V HN 0.676 nan 8.190 nan 0.000 0.449 318 Y N 0.272 120.767 120.300 0.325 0.000 2.593 318 Y HA 0.380 4.930 4.550 -0.000 0.000 0.330 318 Y C -0.835 175.246 175.900 0.301 0.000 1.223 318 Y CA -0.889 57.392 58.100 0.302 0.000 1.350 318 Y CB 1.208 39.795 38.460 0.212 0.000 1.499 318 Y HN 0.607 nan 8.280 nan 0.000 0.554 319 Y N 1.569 122.066 120.300 0.329 0.000 2.313 319 Y HA 0.179 4.729 4.550 -0.000 0.000 0.332 319 Y C -0.892 175.094 175.900 0.142 0.000 1.071 319 Y CA -1.209 57.017 58.100 0.209 0.000 1.169 319 Y CB 0.882 39.491 38.460 0.247 0.000 1.192 319 Y HN 0.413 nan 8.280 nan 0.000 0.487 320 D N 8.457 128.524 120.400 -0.556 0.000 2.464 320 D HA 0.323 4.963 4.640 -0.000 0.000 0.243 320 D C -1.936 173.830 176.300 -0.889 0.000 1.104 320 D CA -2.399 51.310 54.000 -0.485 0.000 0.883 320 D CB 1.473 42.142 40.800 -0.219 0.000 1.050 320 D HN 0.320 nan 8.370 nan 0.000 0.524 321 P HA -0.141 nan 4.420 nan 0.000 0.224 321 P C 0.775 177.933 177.300 -0.237 0.000 1.142 321 P CA 0.708 63.510 63.100 -0.497 0.000 0.778 321 P CB 0.484 32.134 31.700 -0.083 0.000 0.764 322 S N -0.638 114.929 115.700 -0.222 0.000 2.388 322 S HA 0.006 4.476 4.470 -0.000 0.000 0.223 322 S C 1.142 175.674 174.600 -0.113 0.000 1.034 322 S CA 0.693 58.821 58.200 -0.120 0.000 0.963 322 S CB -0.180 62.965 63.200 -0.092 0.000 0.827 322 S HN 0.295 nan 8.310 nan 0.000 0.481 323 K N 1.487 121.791 120.400 -0.159 0.000 2.117 323 K HA 0.257 4.577 4.320 -0.000 0.000 0.240 323 K C -0.829 175.712 176.600 -0.097 0.000 1.031 323 K CA -0.548 55.673 56.287 -0.111 0.000 0.909 323 K CB 0.247 32.687 32.500 -0.101 0.000 1.097 323 K HN 0.061 nan 8.250 nan 0.000 0.492 324 D N 0.834 121.201 120.400 -0.055 0.000 2.283 324 D HA 0.194 4.834 4.640 -0.000 0.000 0.248 324 D C -0.631 175.630 176.300 -0.065 0.000 1.072 324 D CA -0.380 53.593 54.000 -0.045 0.000 0.929 324 D CB 0.807 41.587 40.800 -0.033 0.000 1.182 324 D HN 0.094 nan 8.370 nan 0.000 0.433 325 L N 1.716 122.871 121.223 -0.115 0.000 2.295 325 L HA 0.425 4.765 4.340 -0.000 0.000 0.285 325 L C -1.055 175.640 176.870 -0.292 0.000 1.035 325 L CA -0.290 54.397 54.840 -0.255 0.000 0.806 325 L CB 0.873 42.710 42.059 -0.370 0.000 1.214 325 L HN 0.237 nan 8.230 nan 0.000 0.426 326 I N 3.753 124.089 120.570 -0.391 0.000 2.934 326 I HA 0.874 5.044 4.170 -0.000 0.000 0.306 326 I C -0.601 175.078 176.117 -0.730 0.000 1.110 326 I CA -0.588 60.413 61.300 -0.497 0.000 1.019 326 I CB 2.144 39.918 38.000 -0.376 0.000 1.227 326 I HN 0.600 nan 8.210 nan 0.000 0.434 327 A N 2.594 124.993 122.820 -0.702 0.000 2.437 327 A HA 0.797 5.117 4.320 -0.000 0.000 0.293 327 A C -1.126 176.265 177.584 -0.322 0.000 1.038 327 A CA -0.523 51.149 52.037 -0.608 0.000 0.708 327 A CB 1.129 19.596 19.000 -0.889 0.000 1.251 327 A HN 0.692 nan 8.150 nan 0.000 0.409 328 E N 1.175 121.299 120.200 -0.127 0.000 2.227 328 E HA 0.718 5.068 4.350 -0.000 0.000 0.268 328 E C -1.206 175.511 176.600 0.196 0.000 0.907 328 E CA -0.604 55.837 56.400 0.068 0.000 0.786 328 E CB 2.434 32.200 29.700 0.109 0.000 1.191 328 E HN 0.612 nan 8.360 nan 0.000 0.411 329 I N 2.331 123.044 120.570 0.238 0.000 2.582 329 I HA 0.235 4.405 4.170 -0.000 0.000 0.292 329 I C -0.827 175.473 176.117 0.304 0.000 1.066 329 I CA -0.895 60.597 61.300 0.321 0.000 1.053 329 I CB 1.789 39.980 38.000 0.318 0.000 1.241 329 I HN 0.291 nan 8.210 nan 0.000 0.421 330 Q N 5.181 125.155 119.800 0.290 0.000 2.347 330 Q HA 0.434 4.774 4.340 -0.000 0.000 0.271 330 Q C -1.124 174.888 176.000 0.020 0.000 1.064 330 Q CA -1.015 54.883 55.803 0.158 0.000 0.800 330 Q CB 2.909 31.702 28.738 0.091 0.000 1.304 330 Q HN 0.543 nan 8.270 nan 0.000 0.438 331 K N 1.466 121.693 120.400 -0.289 0.000 2.218 331 K HA 0.143 4.463 4.320 -0.000 0.000 0.276 331 K C 0.285 176.578 176.600 -0.511 0.000 1.022 331 K CA 0.202 55.902 56.287 -0.979 0.000 0.946 331 K CB 0.853 32.542 32.500 -1.352 0.000 1.000 331 K HN 0.615 nan 8.250 nan 0.000 0.468 332 Q N 1.766 121.264 119.800 -0.504 0.000 2.423 332 Q HA 0.189 4.529 4.340 -0.000 0.000 0.231 332 Q C 0.652 176.526 176.000 -0.210 0.000 0.894 332 Q CA 0.447 56.100 55.803 -0.250 0.000 0.938 332 Q CB 1.255 29.902 28.738 -0.152 0.000 1.079 332 Q HN 1.036 nan 8.270 nan 0.000 0.552 333 G N 0.715 109.360 108.800 -0.259 0.000 2.191 333 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.090 333 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.090 333 G C -0.416 174.425 174.900 -0.099 0.000 1.980 333 G CA -0.579 44.430 45.100 -0.151 0.000 1.116 333 G HN 0.126 nan 8.290 nan 0.000 0.313 334 Q N 1.672 121.429 119.800 -0.070 0.000 2.401 334 Q HA 0.390 4.729 4.340 -0.000 0.000 0.202 334 Q C 1.466 177.465 176.000 -0.001 0.000 0.914 334 Q CA 1.010 56.792 55.803 -0.035 0.000 1.006 334 Q CB -0.423 28.294 28.738 -0.036 0.000 1.041 334 Q HN 1.737 nan 8.270 nan 0.000 0.501 335 G N -0.207 108.608 108.800 0.024 0.000 2.157 335 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.248 335 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.248 335 G C -0.118 174.907 174.900 0.208 0.000 0.979 335 G CA -0.420 44.777 45.100 0.161 0.000 0.650 335 G HN 0.407 nan 8.290 nan 0.000 0.529 336 Q N -0.996 118.809 119.800 0.008 0.000 2.241 336 Q HA 0.586 4.926 4.340 -0.000 0.000 0.254 336 Q C -0.888 175.014 176.000 -0.164 0.000 0.917 336 Q CA -0.614 55.215 55.803 0.044 0.000 0.919 336 Q CB 0.993 29.727 28.738 -0.008 0.000 1.237 336 Q HN 0.346 nan 8.270 nan 0.000 0.434 337 W N 1.227 122.611 121.300 0.140 0.000 2.739 337 W HA 0.360 5.020 4.660 -0.000 0.000 0.331 337 W C -0.430 176.212 176.519 0.205 0.000 1.049 337 W CA -0.527 56.931 57.345 0.189 0.000 1.234 337 W CB 1.712 31.331 29.460 0.266 0.000 1.404 337 W HN 0.457 nan 8.180 nan 0.000 0.477 338 T N 0.221 114.959 114.554 0.307 0.000 2.918 338 T HA 0.848 5.198 4.350 -0.000 0.000 0.286 338 T C -1.051 173.843 174.700 0.324 0.000 1.026 338 T CA -0.697 61.537 62.100 0.224 0.000 1.031 338 T CB 1.875 70.800 68.868 0.096 0.000 1.046 338 T HN 0.473 nan 8.240 nan 0.000 0.479 339 Y N -1.056 119.344 120.300 0.168 0.000 2.656 339 Y HA 0.693 5.243 4.550 -0.000 0.000 0.334 339 Y C -1.767 174.205 175.900 0.121 0.000 1.179 339 Y CA -1.364 56.822 58.100 0.142 0.000 1.050 339 Y CB 1.486 40.036 38.460 0.150 0.000 1.308 339 Y HN 0.788 nan 8.280 nan 0.000 0.456 340 Q N 2.237 122.208 119.800 0.286 0.000 2.320 340 Q HA 0.510 4.850 4.340 -0.000 0.000 0.272 340 Q C -2.032 174.065 176.000 0.162 0.000 1.023 340 Q CA -0.688 55.236 55.803 0.202 0.000 0.855 340 Q CB 2.791 31.630 28.738 0.168 0.000 1.367 340 Q HN 0.848 nan 8.270 nan 0.000 0.406 341 I N 3.544 124.233 120.570 0.197 0.000 2.359 341 I HA 0.584 4.754 4.170 -0.000 0.000 0.294 341 I C -0.617 175.506 176.117 0.010 0.000 0.987 341 I CA -0.538 60.745 61.300 -0.028 0.000 1.225 341 I CB 0.794 38.897 38.000 0.172 0.000 1.366 341 I HN 0.644 nan 8.210 nan 0.000 0.466 342 Y N 2.706 122.990 120.300 -0.025 0.000 2.744 342 Y HA 0.542 5.091 4.550 -0.000 0.000 0.330 342 Y C -0.191 175.662 175.900 -0.078 0.000 1.263 342 Y CA -1.246 56.850 58.100 -0.007 0.000 1.065 342 Y CB 0.786 39.268 38.460 0.036 0.000 1.306 342 Y HN 0.510 nan 8.280 nan 0.000 0.459 343 Q N -0.261 119.755 119.800 0.360 0.000 2.422 343 Q HA 0.304 4.644 4.340 -0.000 0.000 0.255 343 Q C -0.870 175.222 176.000 0.153 0.000 0.864 343 Q CA 0.235 56.153 55.803 0.192 0.000 0.968 343 Q CB 1.468 30.238 28.738 0.053 0.000 1.130 343 Q HN 0.737 nan 8.270 nan 0.000 0.556 344 E N 1.525 121.758 120.200 0.055 0.000 2.191 344 E HA 0.173 4.523 4.350 -0.000 0.000 0.263 344 E C -2.310 174.064 176.600 -0.375 0.000 0.881 344 E CA -2.019 54.318 56.400 -0.105 0.000 0.757 344 E CB 1.737 31.428 29.700 -0.016 0.000 1.147 344 E HN -0.102 nan 8.360 nan 0.000 0.414 345 P HA -0.184 nan 4.420 nan 0.000 0.228 345 P C -0.118 176.946 177.300 -0.394 0.000 1.143 345 P CA 1.339 64.025 63.100 -0.691 0.000 0.771 345 P CB 0.052 31.495 31.700 -0.427 0.000 0.764 346 F N -0.811 118.957 119.950 -0.304 0.000 2.453 346 F HA 0.228 4.755 4.527 -0.000 0.000 0.239 346 F C 1.460 177.178 175.800 -0.137 0.000 1.013 346 F CA -0.672 57.220 58.000 -0.180 0.000 1.025 346 F CB 0.125 39.048 39.000 -0.128 0.000 1.214 346 F HN -0.456 nan 8.300 nan 0.000 0.681 347 K N 1.033 121.500 120.400 0.112 0.000 2.168 347 K HA 0.123 4.443 4.320 -0.000 0.000 0.258 347 K C -0.676 175.960 176.600 0.060 0.000 1.010 347 K CA -0.416 55.870 56.287 -0.002 0.000 0.929 347 K CB 0.532 32.984 32.500 -0.080 0.000 0.998 347 K HN 0.092 nan 8.250 nan 0.000 0.479 348 N N 1.650 120.385 118.700 0.059 0.000 2.458 348 N HA 0.177 4.917 4.740 -0.000 0.000 0.271 348 N C 0.179 175.850 175.510 0.268 0.000 1.210 348 N CA -0.375 52.784 53.050 0.181 0.000 0.978 348 N CB 1.157 39.738 38.487 0.157 0.000 1.206 348 N HN 0.427 nan 8.380 nan 0.000 0.536 349 L N 0.250 121.703 121.223 0.383 0.000 2.362 349 L HA 0.346 4.685 4.340 -0.000 0.000 0.204 349 L C 0.259 177.544 176.870 0.692 0.000 1.060 349 L CA 1.382 56.535 54.840 0.522 0.000 0.827 349 L CB -0.109 42.201 42.059 0.418 0.000 1.027 349 L HN 0.638 nan 8.230 nan 0.000 0.474 350 K N -1.684 119.052 120.400 0.561 0.000 2.703 350 K HA 0.381 4.701 4.320 -0.000 0.000 0.285 350 K C -1.341 175.459 176.600 0.333 0.000 1.014 350 K CA 0.088 56.712 56.287 0.562 0.000 0.858 350 K CB 1.014 33.853 32.500 0.566 0.000 1.467 350 K HN 0.032 nan 8.250 nan 0.000 0.383 351 T N -1.044 113.623 114.554 0.188 0.000 2.864 351 T HA 0.935 5.285 4.350 -0.000 0.000 0.289 351 T C -0.113 174.402 174.700 -0.308 0.000 1.082 351 T CA -0.225 61.847 62.100 -0.047 0.000 1.009 351 T CB 1.997 70.843 68.868 -0.036 0.000 1.234 351 T HN 0.837 nan 8.240 nan 0.000 0.526 352 G N 0.092 108.397 108.800 -0.825 0.000 2.495 352 G HA2 0.643 4.603 3.960 -0.000 0.000 0.294 352 G HA3 0.643 4.603 3.960 -0.000 0.000 0.294 352 G C -2.029 172.458 174.900 -0.689 0.000 1.397 352 G CA -1.045 43.536 45.100 -0.865 0.000 0.790 352 G HN 1.002 nan 8.290 nan 0.000 0.486 353 K N -1.607 118.706 120.400 -0.145 0.000 2.480 353 K HA 0.782 5.101 4.320 -0.000 0.000 0.258 353 K C -2.048 174.770 176.600 0.363 0.000 0.990 353 K CA -1.181 55.190 56.287 0.140 0.000 0.857 353 K CB 2.857 35.407 32.500 0.082 0.000 1.384 353 K HN 0.706 nan 8.250 nan 0.000 0.446 354 Y N 0.484 120.954 120.300 0.283 0.000 2.332 354 Y HA 0.580 5.130 4.550 -0.000 0.000 0.325 354 Y C -1.959 174.094 175.900 0.254 0.000 1.054 354 Y CA -0.476 57.770 58.100 0.243 0.000 1.119 354 Y CB 1.865 40.454 38.460 0.216 0.000 1.168 354 Y HN 0.943 nan 8.280 nan 0.000 0.439 355 A N 5.331 127.864 122.820 -0.478 0.000 2.350 355 A HA 0.761 5.081 4.320 -0.000 0.000 0.324 355 A C -1.122 176.107 177.584 -0.592 0.000 1.118 355 A CA -0.974 50.860 52.037 -0.339 0.000 0.783 355 A CB 1.091 20.010 19.000 -0.135 0.000 1.236 355 A HN 0.667 nan 8.150 nan 0.000 0.457 356 R N 2.722 123.044 120.500 -0.297 0.000 2.248 356 R HA 0.344 4.684 4.340 -0.000 0.000 0.337 356 R C -0.178 176.071 176.300 -0.085 0.000 1.106 356 R CA -0.321 55.671 56.100 -0.180 0.000 0.959 356 R CB -0.076 30.240 30.300 0.027 0.000 1.075 356 R HN 0.642 nan 8.270 nan 0.000 0.480 357 M N 4.153 123.699 119.600 -0.089 0.000 2.637 357 M HA 0.202 4.682 4.480 -0.000 0.000 0.286 357 M C 0.071 176.368 176.300 -0.006 0.000 1.246 357 M CA 0.223 55.498 55.300 -0.041 0.000 0.978 357 M CB 0.149 32.724 32.600 -0.042 0.000 1.417 357 M HN 0.383 nan 8.290 nan 0.000 0.487 358 R N -0.205 120.303 120.500 0.014 0.000 2.555 358 R HA 0.353 4.693 4.340 -0.000 0.000 0.272 358 R C 1.027 177.352 176.300 0.043 0.000 1.089 358 R CA 0.355 56.480 56.100 0.042 0.000 1.126 358 R CB 0.156 30.501 30.300 0.074 0.000 1.250 358 R HN 0.558 nan 8.270 nan 0.000 0.551 359 G N 0.038 108.849 108.800 0.019 0.000 2.436 359 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.205 359 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.205 359 G C 0.194 175.071 174.900 -0.038 0.000 1.188 359 G CA -0.158 44.946 45.100 0.007 0.000 1.267 359 G HN 0.235 nan 8.290 nan 0.000 0.536 360 A N -0.944 121.829 122.820 -0.079 0.000 2.016 360 A HA 0.634 4.954 4.320 -0.000 0.000 0.202 360 A C 0.717 178.079 177.584 -0.370 0.000 1.632 360 A CA 1.322 53.197 52.037 -0.271 0.000 0.891 360 A CB 0.006 18.757 19.000 -0.416 0.000 1.103 360 A HN 0.952 nan 8.150 nan 0.000 0.547 361 H N -0.001 119.114 119.070 0.075 0.000 2.476 361 H HA 0.665 5.221 4.556 -0.000 0.000 0.328 361 H C -0.614 174.770 175.328 0.093 0.000 1.073 361 H CA 0.108 56.201 56.048 0.075 0.000 1.229 361 H CB 1.585 31.386 29.762 0.066 0.000 1.432 361 H HN 0.289 nan 8.280 nan 0.000 0.477 362 T N 1.507 116.176 114.554 0.192 0.000 2.778 362 T HA 0.308 4.658 4.350 -0.000 0.000 0.293 362 T C -0.904 173.869 174.700 0.121 0.000 1.144 362 T CA -1.146 61.043 62.100 0.148 0.000 1.010 362 T CB 1.812 70.754 68.868 0.123 0.000 1.325 362 T HN 0.559 nan 8.240 nan 0.000 0.515 363 N N 0.238 118.976 118.700 0.063 0.000 2.249 363 N HA 0.208 4.948 4.740 -0.000 0.000 0.296 363 N C -0.157 175.333 175.510 -0.033 0.000 1.051 363 N CA -0.394 52.660 53.050 0.007 0.000 0.815 363 N CB 2.198 40.632 38.487 -0.088 0.000 1.487 363 N HN 0.482 nan 8.380 nan 0.000 0.475 364 D N 2.101 122.547 120.400 0.075 0.000 2.133 364 D HA -0.148 4.491 4.640 -0.000 0.000 0.192 364 D C 1.801 178.036 176.300 -0.108 0.000 1.001 364 D CA 1.350 55.459 54.000 0.180 0.000 0.844 364 D CB 0.131 41.117 40.800 0.309 0.000 0.944 364 D HN 0.329 nan 8.370 nan 0.000 0.447 365 V N 1.148 120.864 119.914 -0.330 0.000 2.233 365 V HA -0.288 3.832 4.120 -0.000 0.000 0.247 365 V C 2.543 178.184 176.094 -0.754 0.000 1.050 365 V CA 2.121 64.062 62.300 -0.597 0.000 1.010 365 V CB -0.559 30.642 31.823 -1.037 0.000 0.637 365 V HN 0.202 nan 8.190 nan 0.000 0.444 366 K N -0.170 119.671 120.400 -0.931 0.000 2.034 366 K HA -0.340 3.980 4.320 -0.000 0.000 0.214 366 K C 2.282 178.639 176.600 -0.404 0.000 1.051 366 K CA 2.490 58.387 56.287 -0.649 0.000 0.931 366 K CB -0.329 31.965 32.500 -0.344 0.000 0.715 366 K HN 0.486 nan 8.250 nan 0.000 0.446 367 Q N 0.090 119.672 119.800 -0.364 0.000 2.045 367 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 367 Q C 2.140 177.641 176.000 -0.833 0.000 0.991 367 Q CA 1.911 57.465 55.803 -0.414 0.000 0.851 367 Q CB -0.257 28.319 28.738 -0.270 0.000 0.911 367 Q HN 0.379 nan 8.270 nan 0.000 0.418 368 L N 0.279 120.919 121.223 -0.973 0.000 2.021 368 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 368 L C 2.073 178.500 176.870 -0.738 0.000 1.074 368 L CA 2.507 56.759 54.840 -0.981 0.000 0.760 368 L CB -1.165 40.524 42.059 -0.616 0.000 0.889 368 L HN 0.282 nan 8.230 nan 0.000 0.433 369 T N -0.538 113.681 114.554 -0.558 0.000 2.652 369 T HA -0.229 4.121 4.350 -0.000 0.000 0.267 369 T C 1.664 176.068 174.700 -0.493 0.000 1.039 369 T CA 1.804 63.634 62.100 -0.450 0.000 1.153 369 T CB -0.418 68.386 68.868 -0.107 0.000 0.863 369 T HN 0.498 nan 8.240 nan 0.000 0.428 370 E N 1.295 121.209 120.200 -0.478 0.000 2.097 370 E HA -0.158 4.192 4.350 -0.000 0.000 0.196 370 E C 2.549 178.577 176.600 -0.952 0.000 1.000 370 E CA 1.054 57.121 56.400 -0.555 0.000 0.804 370 E CB -0.351 29.118 29.700 -0.385 0.000 0.740 370 E HN 0.518 nan 8.360 nan 0.000 0.454 371 A N 1.163 123.282 122.820 -1.169 0.000 1.837 371 A HA -0.224 4.096 4.320 -0.000 0.000 0.216 371 A C 2.535 179.732 177.584 -0.645 0.000 1.210 371 A CA 1.838 53.263 52.037 -1.021 0.000 0.632 371 A CB -1.181 17.414 19.000 -0.676 0.000 0.843 371 A HN 0.130 nan 8.150 nan 0.000 0.448 372 V N 0.101 119.638 119.914 -0.630 0.000 2.265 372 V HA -0.426 3.694 4.120 -0.000 0.000 0.259 372 V C 2.809 178.575 176.094 -0.545 0.000 1.084 372 V CA 2.938 64.789 62.300 -0.749 0.000 1.076 372 V CB -1.014 30.192 31.823 -1.029 0.000 0.680 372 V HN 0.785 nan 8.190 nan 0.000 0.452 373 Q N 0.402 119.919 119.800 -0.472 0.000 2.002 373 Q HA -0.255 4.085 4.340 -0.000 0.000 0.204 373 Q C 2.241 178.114 176.000 -0.212 0.000 0.988 373 Q CA 2.573 58.196 55.803 -0.300 0.000 0.843 373 Q CB -0.553 28.034 28.738 -0.252 0.000 0.908 373 Q HN 0.655 nan 8.270 nan 0.000 0.420 374 K N -0.360 119.891 120.400 -0.249 0.000 2.077 374 K HA -0.217 4.103 4.320 -0.000 0.000 0.213 374 K C 2.018 178.558 176.600 -0.100 0.000 1.051 374 K CA 2.033 58.240 56.287 -0.134 0.000 0.929 374 K CB -0.420 32.013 32.500 -0.111 0.000 0.715 374 K HN 0.367 nan 8.250 nan 0.000 0.451 375 I N 0.548 121.014 120.570 -0.175 0.000 2.252 375 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 375 I C 2.128 178.250 176.117 0.010 0.000 1.102 375 I CA 1.530 62.743 61.300 -0.145 0.000 1.385 375 I CB -0.437 37.416 38.000 -0.246 0.000 1.064 375 I HN 0.291 nan 8.210 nan 0.000 0.414 376 T N 0.129 114.708 114.554 0.043 0.000 2.759 376 T HA -0.164 4.186 4.350 -0.000 0.000 0.269 376 T C 1.860 176.578 174.700 0.031 0.000 1.042 376 T CA 1.968 64.116 62.100 0.079 0.000 1.140 376 T CB -0.430 68.454 68.868 0.027 0.000 0.864 376 T HN 0.402 nan 8.240 nan 0.000 0.455 377 T N 1.653 116.201 114.554 -0.010 0.000 2.674 377 T HA -0.116 4.234 4.350 -0.000 0.000 0.265 377 T C 1.877 176.555 174.700 -0.036 0.000 1.039 377 T CA 1.379 63.468 62.100 -0.018 0.000 1.150 377 T CB -0.315 68.539 68.868 -0.024 0.000 0.864 377 T HN 0.516 nan 8.240 nan 0.000 0.427 378 E N 0.881 121.051 120.200 -0.050 0.000 2.070 378 E HA -0.166 4.184 4.350 -0.000 0.000 0.197 378 E C 2.361 178.854 176.600 -0.177 0.000 1.004 378 E CA 1.497 57.827 56.400 -0.117 0.000 0.805 378 E CB -0.096 29.552 29.700 -0.086 0.000 0.744 378 E HN 0.401 nan 8.360 nan 0.000 0.451 379 S N 0.464 116.149 115.700 -0.025 0.000 2.383 379 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 379 S C 1.963 176.609 174.600 0.076 0.000 1.030 379 S CA 1.115 59.411 58.200 0.160 0.000 1.002 379 S CB -0.236 63.179 63.200 0.358 0.000 0.829 379 S HN 0.300 nan 8.310 nan 0.000 0.467 380 I N 1.173 121.757 120.570 0.023 0.000 2.252 380 I HA -0.123 4.047 4.170 -0.000 0.000 0.245 380 I C 2.156 178.240 176.117 -0.055 0.000 1.102 380 I CA 0.858 62.164 61.300 0.010 0.000 1.385 380 I CB -0.469 37.537 38.000 0.010 0.000 1.064 380 I HN 0.157 nan 8.210 nan 0.000 0.414 381 V N 1.028 120.878 119.914 -0.106 0.000 2.343 381 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 381 V C 2.209 178.166 176.094 -0.228 0.000 1.051 381 V CA 1.818 64.034 62.300 -0.140 0.000 1.036 381 V CB -0.388 31.349 31.823 -0.144 0.000 0.654 381 V HN 0.319 nan 8.190 nan 0.000 0.451 382 I N -1.622 118.704 120.570 -0.407 0.000 2.270 382 I HA -0.116 4.054 4.170 -0.000 0.000 0.239 382 I C 2.333 178.088 176.117 -0.603 0.000 1.080 382 I CA 1.484 62.390 61.300 -0.657 0.000 1.383 382 I CB -0.251 37.008 38.000 -1.236 0.000 1.097 382 I HN 0.356 nan 8.210 nan 0.000 0.420 383 W N 0.395 121.549 121.300 -0.243 0.000 2.812 383 W HA 0.292 4.952 4.660 -0.000 0.000 0.263 383 W C 1.536 177.922 176.519 -0.221 0.000 1.284 383 W CA 0.926 58.041 57.345 -0.384 0.000 1.430 383 W CB -0.720 28.426 29.460 -0.524 0.000 1.088 383 W HN 0.378 nan 8.180 nan 0.000 0.623 384 G N 1.422 110.255 108.800 0.055 0.000 2.147 384 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.244 384 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.244 384 G C 0.219 175.164 174.900 0.074 0.000 1.005 384 G CA 0.649 45.775 45.100 0.043 0.000 0.713 384 G HN 0.271 nan 8.290 nan 0.000 0.515 385 K N -1.370 119.095 120.400 0.110 0.000 2.175 385 K HA 0.755 5.075 4.320 -0.000 0.000 0.257 385 K C -0.564 176.093 176.600 0.096 0.000 1.026 385 K CA -0.271 56.072 56.287 0.093 0.000 0.866 385 K CB 1.315 33.867 32.500 0.087 0.000 1.474 385 K HN 0.413 nan 8.250 nan 0.000 0.442 386 T N 0.288 114.880 114.554 0.065 0.000 2.963 386 T HA 0.313 4.663 4.350 -0.000 0.000 0.328 386 T C -2.444 172.248 174.700 -0.013 0.000 1.048 386 T CA -1.759 60.380 62.100 0.064 0.000 1.033 386 T CB 0.855 69.778 68.868 0.092 0.000 1.010 386 T HN 0.279 nan 8.240 nan 0.000 0.469 387 P HA 0.024 nan 4.420 nan 0.000 0.268 387 P C -0.504 176.598 177.300 -0.329 0.000 1.189 387 P CA -0.161 62.738 63.100 -0.335 0.000 0.771 387 P CB 0.709 32.064 31.700 -0.574 0.000 0.822 388 K N 2.228 122.466 120.400 -0.269 0.000 2.249 388 K HA 0.332 4.652 4.320 -0.000 0.000 0.280 388 K C 0.143 176.586 176.600 -0.261 0.000 1.033 388 K CA -0.182 56.027 56.287 -0.129 0.000 0.946 388 K CB 0.126 32.579 32.500 -0.078 0.000 1.005 388 K HN 0.373 nan 8.250 nan 0.000 0.469 389 F N 1.325 121.245 119.950 -0.050 0.000 2.377 389 F HA 0.296 4.823 4.527 -0.000 0.000 0.328 389 F C 0.890 176.702 175.800 0.020 0.000 1.094 389 F CA -0.271 57.702 58.000 -0.044 0.000 1.093 389 F CB 1.237 40.196 39.000 -0.068 0.000 1.214 389 F HN 0.117 nan 8.300 nan 0.000 0.518 390 K N 4.110 124.611 120.400 0.168 0.000 2.535 390 K HA 0.627 4.947 4.320 -0.000 0.000 0.253 390 K C -1.554 175.178 176.600 0.220 0.000 0.953 390 K CA -0.437 55.943 56.287 0.155 0.000 0.863 390 K CB 1.537 34.082 32.500 0.075 0.000 1.111 390 K HN 0.488 nan 8.250 nan 0.000 0.431 391 L N 3.805 125.202 121.223 0.289 0.000 2.431 391 L HA 0.447 4.786 4.340 -0.000 0.000 0.266 391 L C -2.174 174.934 176.870 0.396 0.000 0.978 391 L CA -2.162 52.851 54.840 0.289 0.000 0.822 391 L CB 2.379 44.552 42.059 0.189 0.000 1.310 391 L HN 0.418 nan 8.230 nan 0.000 0.409 392 P HA 0.125 nan 4.420 nan 0.000 0.238 392 P C -0.580 176.950 177.300 0.383 0.000 1.714 392 P CA 0.604 63.951 63.100 0.410 0.000 0.908 392 P CB 0.155 32.022 31.700 0.278 0.000 1.893 393 I N -0.698 120.105 120.570 0.387 0.000 2.722 393 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 393 I C -1.306 174.810 176.117 -0.001 0.000 1.267 393 I CA -0.825 60.548 61.300 0.122 0.000 1.036 393 I CB 2.679 40.736 38.000 0.095 0.000 1.281 393 I HN -0.249 nan 8.210 nan 0.000 0.423 394 Q N 5.530 125.169 119.800 -0.267 0.000 2.243 394 Q HA 0.218 4.558 4.340 -0.000 0.000 0.252 394 Q C 0.644 176.715 176.000 0.118 0.000 0.909 394 Q CA -0.011 55.600 55.803 -0.320 0.000 0.922 394 Q CB 2.029 30.444 28.738 -0.537 0.000 1.215 394 Q HN 0.761 nan 8.270 nan 0.000 0.427 395 K N 2.690 123.258 120.400 0.280 0.000 2.071 395 K HA -0.320 4.000 4.320 -0.000 0.000 0.217 395 K C 1.144 177.892 176.600 0.246 0.000 1.054 395 K CA 2.353 58.922 56.287 0.470 0.000 0.937 395 K CB 0.114 32.774 32.500 0.267 0.000 0.719 395 K HN 0.507 nan 8.250 nan 0.000 0.454 396 E N -0.145 120.104 120.200 0.080 0.000 2.393 396 E HA -0.135 4.215 4.350 -0.000 0.000 0.201 396 E C 0.950 177.544 176.600 -0.011 0.000 1.025 396 E CA 1.806 58.212 56.400 0.010 0.000 0.856 396 E CB -0.037 29.646 29.700 -0.028 0.000 0.771 396 E HN 0.480 nan 8.360 nan 0.000 0.526 397 T N -0.748 113.825 114.554 0.031 0.000 3.031 397 T HA -0.041 4.309 4.350 -0.000 0.000 0.236 397 T C 1.298 176.025 174.700 0.046 0.000 1.005 397 T CA 0.406 62.506 62.100 -0.000 0.000 1.230 397 T CB -0.861 67.994 68.868 -0.023 0.000 0.913 397 T HN 0.386 nan 8.240 nan 0.000 0.419 398 W N 2.644 123.945 121.300 0.002 0.000 2.274 398 W HA -0.284 4.376 4.660 -0.000 0.000 0.333 398 W C 2.097 178.703 176.519 0.146 0.000 1.290 398 W CA 2.260 59.629 57.345 0.039 0.000 1.208 398 W CB -0.632 28.757 29.460 -0.119 0.000 1.155 398 W HN 0.421 nan 8.180 nan 0.000 0.462 399 E N -0.554 119.650 120.200 0.008 0.000 2.136 399 E HA -0.283 4.067 4.350 -0.000 0.000 0.202 399 E C 2.084 178.167 176.600 -0.862 0.000 1.019 399 E CA 2.843 58.977 56.400 -0.442 0.000 0.819 399 E CB -0.417 29.302 29.700 0.030 0.000 0.739 399 E HN 0.200 nan 8.360 nan 0.000 0.458 400 T N -0.240 114.064 114.554 -0.416 0.000 2.720 400 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 400 T C 1.001 175.470 174.700 -0.384 0.000 1.037 400 T CA 1.494 63.371 62.100 -0.371 0.000 1.144 400 T CB -0.452 68.305 68.868 -0.185 0.000 0.864 400 T HN 0.479 nan 8.240 nan 0.000 0.444 401 W N 1.737 122.730 121.300 -0.512 0.000 2.381 401 W HA -0.048 4.612 4.660 -0.000 0.000 0.301 401 W C 2.088 178.332 176.519 -0.459 0.000 1.205 401 W CA 0.821 57.887 57.345 -0.465 0.000 1.285 401 W CB -0.382 28.795 29.460 -0.473 0.000 1.133 401 W HN 0.519 nan 8.180 nan 0.000 0.521 402 W N -0.159 120.696 121.300 -0.742 0.000 2.825 402 W HA 0.038 4.698 4.660 -0.000 0.000 0.243 402 W C 1.042 177.248 176.519 -0.521 0.000 1.293 402 W CA 1.054 57.885 57.345 -0.857 0.000 1.403 402 W CB -1.235 27.799 29.460 -0.710 0.000 1.134 402 W HN -0.211 nan 8.180 nan 0.000 0.666 403 T N 1.511 115.662 114.554 -0.671 0.000 2.937 403 T HA -0.088 4.262 4.350 -0.000 0.000 0.260 403 T C 1.537 176.044 174.700 -0.322 0.000 1.051 403 T CA 1.609 63.352 62.100 -0.595 0.000 1.141 403 T CB 0.091 68.464 68.868 -0.825 0.000 0.879 403 T HN 0.207 nan 8.240 nan 0.000 0.459 404 E N -0.246 119.733 120.200 -0.369 0.000 2.033 404 E HA 0.005 4.355 4.350 -0.000 0.000 0.189 404 E C 0.123 176.587 176.600 -0.226 0.000 0.979 404 E CA 0.122 56.370 56.400 -0.252 0.000 0.802 404 E CB -0.107 29.463 29.700 -0.217 0.000 0.763 404 E HN 0.331 nan 8.360 nan 0.000 0.449 405 Y N 2.429 122.321 120.300 -0.680 0.000 2.969 405 Y HA -0.231 4.319 4.550 -0.000 0.000 0.339 405 Y C 1.082 176.711 175.900 -0.450 0.000 1.272 405 Y CA -0.281 57.379 58.100 -0.732 0.000 1.577 405 Y CB 0.211 37.853 38.460 -1.362 0.000 1.234 405 Y HN 0.268 nan 8.280 nan 0.000 0.590 406 W N 3.708 124.674 121.300 -0.557 0.000 2.595 406 W HA 0.009 4.669 4.660 -0.000 0.000 0.257 406 W C -0.028 176.221 176.519 -0.450 0.000 1.267 406 W CA 0.187 57.269 57.345 -0.439 0.000 1.300 406 W CB -0.155 29.080 29.460 -0.375 0.000 1.120 406 W HN 0.500 nan 8.180 nan 0.000 0.618 407 Q N 0.995 119.960 119.800 -1.392 0.000 2.195 407 Q HA 0.573 4.913 4.340 -0.000 0.000 0.250 407 Q C -0.872 174.852 176.000 -0.459 0.000 0.988 407 Q CA -0.447 54.788 55.803 -0.946 0.000 0.911 407 Q CB 2.098 29.948 28.738 -1.481 0.000 1.258 407 Q HN 0.010 nan 8.270 nan 0.000 0.475 408 A N 1.233 123.919 122.820 -0.224 0.000 2.303 408 A HA 0.599 4.919 4.320 -0.000 0.000 0.320 408 A C -0.344 177.216 177.584 -0.040 0.000 1.192 408 A CA -0.439 51.525 52.037 -0.122 0.000 0.821 408 A CB 0.956 19.901 19.000 -0.093 0.000 1.188 408 A HN 0.760 nan 8.150 nan 0.000 0.492 409 T N -1.262 113.310 114.554 0.029 0.000 2.844 409 T HA 0.771 5.121 4.350 -0.000 0.000 0.274 409 T C -0.488 174.372 174.700 0.267 0.000 0.991 409 T CA -0.741 61.460 62.100 0.169 0.000 0.983 409 T CB 1.540 70.613 68.868 0.341 0.000 1.310 409 T HN 1.344 nan 8.240 nan 0.000 0.596 410 W N 1.860 123.165 121.300 0.007 0.000 2.605 410 W HA 0.344 5.004 4.660 -0.000 0.000 0.290 410 W C -1.901 174.514 176.519 -0.174 0.000 1.069 410 W CA -1.353 55.942 57.345 -0.084 0.000 1.066 410 W CB 0.462 29.853 29.460 -0.115 0.000 0.859 410 W HN 0.896 nan 8.180 nan 0.000 0.280 411 I N 3.417 123.533 120.570 -0.755 0.000 2.474 411 I HA 0.537 4.707 4.170 -0.000 0.000 0.287 411 I C -1.933 173.338 176.117 -1.411 0.000 1.048 411 I CA -1.884 58.733 61.300 -1.137 0.000 1.383 411 I CB 0.345 37.464 38.000 -1.469 0.000 1.412 411 I HN -0.005 nan 8.210 nan 0.000 0.531 412 P HA 0.117 nan 4.420 nan 0.000 0.296 412 P C -0.764 176.375 177.300 -0.269 0.000 1.295 412 P CA -0.514 62.210 63.100 -0.627 0.000 0.754 412 P CB 0.312 31.859 31.700 -0.255 0.000 1.311 413 E N 0.375 120.559 120.200 -0.027 0.000 2.465 413 E HA 0.043 4.393 4.350 -0.000 0.000 0.260 413 E C -0.626 176.122 176.600 0.247 0.000 0.980 413 E CA 0.609 57.072 56.400 0.105 0.000 0.927 413 E CB 0.080 29.814 29.700 0.057 0.000 0.934 413 E HN 0.388 nan 8.360 nan 0.000 0.459 414 W N 2.308 123.557 121.300 -0.084 0.000 3.138 414 W HA 0.499 5.159 4.660 -0.000 0.000 0.331 414 W C -0.848 175.671 176.519 -0.001 0.000 1.166 414 W CA -1.032 56.292 57.345 -0.035 0.000 1.212 414 W CB 0.698 30.070 29.460 -0.147 0.000 1.399 414 W HN 0.203 nan 8.180 nan 0.000 0.514 415 E N 2.756 122.982 120.200 0.043 0.000 2.176 415 E HA 0.295 4.645 4.350 -0.000 0.000 0.267 415 E C -0.933 175.734 176.600 0.111 0.000 0.893 415 E CA -1.155 55.210 56.400 -0.058 0.000 0.761 415 E CB 2.222 31.902 29.700 -0.032 0.000 1.133 415 E HN 0.341 nan 8.360 nan 0.000 0.409 416 F N 3.281 123.175 119.950 -0.092 0.000 2.553 416 F HA 0.134 4.661 4.527 -0.000 0.000 0.356 416 F C -0.204 175.620 175.800 0.040 0.000 1.142 416 F CA -0.277 57.742 58.000 0.032 0.000 1.322 416 F CB 0.529 39.523 39.000 -0.010 0.000 1.126 416 F HN 0.082 nan 8.300 nan 0.000 0.599 417 V N 5.998 125.641 119.914 -0.452 0.000 2.558 417 V HA 0.071 4.191 4.120 -0.000 0.000 0.261 417 V C -0.416 175.288 176.094 -0.651 0.000 0.958 417 V CA -1.106 60.872 62.300 -0.537 0.000 0.852 417 V CB 0.598 32.343 31.823 -0.130 0.000 1.067 417 V HN 0.791 nan 8.190 nan 0.000 0.468 418 N N 3.401 121.409 118.700 -1.153 0.000 2.355 418 N HA 0.057 4.797 4.740 -0.000 0.000 0.282 418 N C -0.071 175.345 175.510 -0.157 0.000 1.374 418 N CA 1.261 54.022 53.050 -0.482 0.000 0.929 418 N CB 0.295 38.600 38.487 -0.304 0.000 1.278 418 N HN 0.822 nan 8.380 nan 0.000 0.491 419 T N 1.964 116.503 114.554 -0.024 0.000 3.705 419 T HA 0.350 4.700 4.350 -0.000 0.000 0.342 419 T C -3.079 171.647 174.700 0.044 0.000 1.043 419 T CA -1.458 60.643 62.100 0.001 0.000 1.071 419 T CB 1.000 69.863 68.868 -0.009 0.000 1.124 419 T HN 0.126 nan 8.240 nan 0.000 0.467 420 P HA 0.139 nan 4.420 nan 0.000 0.263 420 P C -1.627 175.691 177.300 0.030 0.000 1.175 420 P CA -0.541 62.585 63.100 0.043 0.000 0.761 420 P CB 0.112 31.832 31.700 0.033 0.000 0.794 421 P HA 0.218 nan 4.420 nan 0.000 0.327 421 P C -0.914 176.432 177.300 0.076 0.000 1.342 421 P CA 0.138 63.269 63.100 0.051 0.000 0.761 421 P CB 0.443 32.162 31.700 0.030 0.000 1.675 422 L N -1.288 119.984 121.223 0.083 0.000 2.737 422 L HA 0.213 4.553 4.340 -0.000 0.000 0.261 422 L C -1.087 175.805 176.870 0.036 0.000 0.949 422 L CA -0.572 54.319 54.840 0.085 0.000 0.952 422 L CB 1.627 43.724 42.059 0.062 0.000 1.337 422 L HN -0.071 nan 8.230 nan 0.000 0.430 423 V N 5.477 125.451 119.914 0.100 0.000 2.458 423 V HA 0.324 4.444 4.120 -0.000 0.000 0.287 423 V C 0.423 176.465 176.094 -0.088 0.000 1.009 423 V CA 0.363 62.704 62.300 0.068 0.000 1.091 423 V CB 0.472 32.377 31.823 0.137 0.000 0.960 423 V HN 0.691 nan 8.190 nan 0.000 0.476 424 K N 4.370 124.632 120.400 -0.229 0.000 2.507 424 K HA 0.522 4.842 4.320 -0.000 0.000 0.284 424 K C -1.616 174.736 176.600 -0.414 0.000 1.038 424 K CA -0.902 55.179 56.287 -0.343 0.000 0.903 424 K CB 2.020 34.246 32.500 -0.456 0.000 1.531 424 K HN 0.440 nan 8.250 nan 0.000 0.430 425 L N 2.493 123.516 121.223 -0.334 0.000 2.272 425 L HA 0.320 4.660 4.340 -0.000 0.000 0.284 425 L C 0.310 177.082 176.870 -0.163 0.000 1.045 425 L CA -0.649 54.060 54.840 -0.219 0.000 0.842 425 L CB 0.421 42.391 42.059 -0.149 0.000 1.224 425 L HN 0.626 nan 8.230 nan 0.000 0.430 426 W N 3.064 124.375 121.300 0.017 0.000 2.632 426 W HA -0.033 4.627 4.660 -0.000 0.000 0.248 426 W C 0.441 177.119 176.519 0.265 0.000 1.259 426 W CA -0.027 57.400 57.345 0.137 0.000 1.288 426 W CB -0.705 28.872 29.460 0.196 0.000 1.136 426 W HN 0.523 nan 8.180 nan 0.000 0.640 427 Y N -3.590 116.821 120.300 0.185 0.000 2.851 427 Y HA 0.478 5.028 4.550 -0.000 0.000 0.359 427 Y C -1.314 174.637 175.900 0.085 0.000 1.231 427 Y CA -2.131 56.041 58.100 0.121 0.000 1.106 427 Y CB 0.398 38.933 38.460 0.126 0.000 1.409 427 Y HN -0.132 nan 8.280 nan 0.000 0.454 428 Q N 2.288 122.212 119.800 0.205 0.000 2.280 428 Q HA 0.510 4.850 4.340 -0.000 0.000 0.259 428 Q C -1.502 174.608 176.000 0.184 0.000 0.964 428 Q CA -0.843 55.009 55.803 0.081 0.000 0.844 428 Q CB 3.010 31.767 28.738 0.032 0.000 1.334 428 Q HN 0.672 nan 8.270 nan 0.000 0.423 429 L N 1.809 123.136 121.223 0.174 0.000 2.461 429 L HA 0.194 4.534 4.340 -0.000 0.000 0.272 429 L C 0.696 177.645 176.870 0.131 0.000 1.197 429 L CA -0.217 54.721 54.840 0.163 0.000 0.836 429 L CB 0.216 42.344 42.059 0.115 0.000 1.105 429 L HN 0.452 nan 8.230 nan 0.000 0.477 430 E N 2.004 122.305 120.200 0.168 0.000 2.366 430 E HA 0.064 4.414 4.350 -0.000 0.000 0.266 430 E C 0.352 177.104 176.600 0.253 0.000 1.051 430 E CA -0.099 56.414 56.400 0.188 0.000 0.884 430 E CB 1.307 31.128 29.700 0.203 0.000 1.006 430 E HN 0.451 nan 8.360 nan 0.000 0.417 431 K N 0.970 121.484 120.400 0.191 0.000 2.137 431 K HA 0.021 4.341 4.320 -0.000 0.000 0.202 431 K C 0.365 177.152 176.600 0.312 0.000 1.052 431 K CA 0.675 57.082 56.287 0.200 0.000 0.961 431 K CB 0.353 32.912 32.500 0.099 0.000 0.741 431 K HN 0.344 nan 8.250 nan 0.000 0.452 432 E N 1.067 121.362 120.200 0.158 0.000 2.212 432 E HA 0.256 4.606 4.350 -0.000 0.000 0.270 432 E C -2.432 173.883 176.600 -0.475 0.000 0.956 432 E CA -2.549 53.826 56.400 -0.042 0.000 0.825 432 E CB 1.054 30.724 29.700 -0.050 0.000 1.167 432 E HN -0.037 nan 8.360 nan 0.000 0.400 433 P HA 0.036 nan 4.420 nan 0.000 0.271 433 P C -0.053 176.973 177.300 -0.456 0.000 1.233 433 P CA 0.219 62.641 63.100 -1.130 0.000 0.795 433 P CB 0.692 31.985 31.700 -0.679 0.000 0.936 434 I N 0.537 120.935 120.570 -0.286 0.000 2.312 434 I HA 0.101 4.271 4.170 -0.000 0.000 0.290 434 I C 0.193 176.261 176.117 -0.081 0.000 1.008 434 I CA -1.113 60.116 61.300 -0.118 0.000 1.226 434 I CB 1.413 39.391 38.000 -0.036 0.000 1.371 434 I HN -0.005 nan 8.210 nan 0.000 0.468 435 V N 6.885 126.760 119.914 -0.065 0.000 2.409 435 V HA 0.229 4.349 4.120 -0.000 0.000 0.270 435 V C 1.231 177.310 176.094 -0.025 0.000 1.019 435 V CA 1.069 63.343 62.300 -0.044 0.000 1.066 435 V CB -0.226 31.575 31.823 -0.036 0.000 1.021 435 V HN 1.201 nan 8.190 nan 0.000 0.476 436 G N 3.841 112.630 108.800 -0.019 0.000 2.284 436 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.216 436 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.216 436 G C 0.500 175.400 174.900 0.001 0.000 1.009 436 G CA 0.075 45.170 45.100 -0.009 0.000 0.625 436 G HN 1.388 nan 8.290 nan 0.000 0.501 437 A N 0.559 123.382 122.820 0.006 0.000 2.445 437 A HA 0.570 4.890 4.320 -0.000 0.000 0.242 437 A C 0.480 178.089 177.584 0.042 0.000 1.075 437 A CA 0.867 52.922 52.037 0.030 0.000 0.777 437 A CB 0.285 19.309 19.000 0.041 0.000 1.013 437 A HN 0.824 nan 8.150 nan 0.000 0.493 438 E N 1.064 121.303 120.200 0.066 0.000 2.351 438 E HA 0.184 4.534 4.350 -0.000 0.000 0.266 438 E C -0.627 176.038 176.600 0.108 0.000 1.031 438 E CA 0.026 56.449 56.400 0.038 0.000 0.911 438 E CB 0.311 30.020 29.700 0.016 0.000 0.986 438 E HN 0.517 nan 8.360 nan 0.000 0.446 439 T N 5.930 120.517 114.554 0.054 0.000 2.723 439 T HA 0.203 4.553 4.350 -0.000 0.000 0.297 439 T C -0.718 174.071 174.700 0.148 0.000 0.925 439 T CA -0.189 61.993 62.100 0.137 0.000 1.030 439 T CB -0.191 68.785 68.868 0.180 0.000 0.905 439 T HN 0.264 nan 8.240 nan 0.000 0.502 440 F N 3.061 123.022 119.950 0.019 0.000 2.404 440 F HA 0.321 4.848 4.527 -0.000 0.000 0.358 440 F C 0.055 175.901 175.800 0.075 0.000 1.120 440 F CA -1.008 57.005 58.000 0.022 0.000 1.144 440 F CB 0.585 39.527 39.000 -0.096 0.000 1.133 440 F HN 0.520 nan 8.300 nan 0.000 0.495 441 Y N 4.040 124.440 120.300 0.166 0.000 2.691 441 Y HA 0.327 4.877 4.550 -0.000 0.000 0.338 441 Y C 0.366 176.375 175.900 0.182 0.000 1.148 441 Y CA -1.096 57.083 58.100 0.131 0.000 1.430 441 Y CB -0.188 38.309 38.460 0.063 0.000 1.303 441 Y HN 0.320 nan 8.280 nan 0.000 0.499 442 V N -0.433 119.627 119.914 0.242 0.000 3.133 442 V HA 0.656 4.776 4.120 -0.000 0.000 0.305 442 V C 0.014 176.188 176.094 0.133 0.000 1.084 442 V CA -0.364 62.066 62.300 0.216 0.000 1.089 442 V CB 1.675 33.594 31.823 0.161 0.000 1.073 442 V HN 0.559 nan 8.190 nan 0.000 0.477 443 D N -0.865 119.600 120.400 0.108 0.000 2.896 443 D HA 0.554 5.194 4.640 -0.000 0.000 0.326 443 D C -0.688 175.646 176.300 0.056 0.000 1.348 443 D CA 0.586 54.628 54.000 0.069 0.000 0.746 443 D CB 1.041 41.878 40.800 0.063 0.000 1.307 443 D HN 1.483 nan 8.370 nan 0.000 0.447 444 G N -0.047 108.779 108.800 0.043 0.000 1.968 444 G HA2 0.652 4.612 3.960 -0.000 0.000 0.183 444 G HA3 0.652 4.612 3.960 -0.000 0.000 0.183 444 G C -0.493 174.428 174.900 0.034 0.000 1.665 444 G CA 0.210 45.331 45.100 0.035 0.000 1.015 444 G HN 0.617 nan 8.290 nan 0.000 0.624 445 A N 1.026 123.863 122.820 0.029 0.000 2.251 445 A HA 1.070 5.390 4.320 -0.000 0.000 0.278 445 A C 0.802 178.401 177.584 0.026 0.000 1.206 445 A CA 0.398 52.453 52.037 0.029 0.000 0.822 445 A CB 1.114 20.133 19.000 0.031 0.000 1.187 445 A HN 2.595 nan 8.150 nan 0.000 0.504 446 A N -0.221 122.614 122.820 0.024 0.000 2.589 446 A HA 0.559 4.879 4.320 -0.000 0.000 0.296 446 A C -0.971 176.623 177.584 0.018 0.000 1.062 446 A CA -0.640 51.409 52.037 0.019 0.000 0.686 446 A CB 0.933 19.944 19.000 0.018 0.000 1.282 446 A HN 0.734 nan 8.150 nan 0.000 0.404 447 N N 1.352 120.061 118.700 0.014 0.000 2.415 447 N HA 0.111 4.851 4.740 -0.000 0.000 0.246 447 N C 1.080 176.596 175.510 0.010 0.000 1.078 447 N CA -0.386 52.672 53.050 0.012 0.000 0.942 447 N CB 0.680 39.173 38.487 0.010 0.000 1.140 447 N HN 0.666 nan 8.380 nan 0.000 0.501 448 R N 1.989 122.495 120.500 0.010 0.000 2.139 448 R HA -0.203 4.137 4.340 -0.000 0.000 0.243 448 R C 0.763 177.066 176.300 0.005 0.000 1.145 448 R CA 1.358 57.461 56.100 0.006 0.000 0.976 448 R CB 0.147 30.451 30.300 0.007 0.000 0.866 448 R HN 0.555 nan 8.270 nan 0.000 0.449 449 E N 0.001 120.204 120.200 0.005 0.000 2.110 449 E HA -0.061 4.288 4.350 -0.000 0.000 0.193 449 E C 1.825 178.428 176.600 0.004 0.000 0.950 449 E CA 1.461 57.864 56.400 0.004 0.000 0.840 449 E CB -0.066 29.637 29.700 0.004 0.000 0.809 449 E HN 0.241 nan 8.360 nan 0.000 0.465 450 T N -0.957 113.600 114.554 0.005 0.000 3.072 450 T HA -0.042 4.308 4.350 -0.000 0.000 0.266 450 T C 0.625 175.328 174.700 0.006 0.000 1.127 450 T CA 0.938 63.041 62.100 0.005 0.000 1.107 450 T CB -0.345 68.526 68.868 0.006 0.000 0.910 450 T HN 0.259 nan 8.240 nan 0.000 0.513 451 K N 0.214 120.618 120.400 0.006 0.000 3.209 451 K HA -0.116 4.204 4.320 -0.000 0.000 0.289 451 K C -0.535 176.070 176.600 0.008 0.000 1.191 451 K CA 0.450 56.741 56.287 0.007 0.000 0.851 451 K CB -2.020 30.483 32.500 0.006 0.000 1.242 451 K HN 0.506 nan 8.250 nan 0.000 0.480 452 L N 0.844 122.072 121.223 0.009 0.000 2.287 452 L HA 0.495 4.835 4.340 -0.000 0.000 0.287 452 L C 0.891 177.767 176.870 0.011 0.000 1.022 452 L CA -0.450 54.395 54.840 0.009 0.000 0.814 452 L CB 1.585 43.649 42.059 0.008 0.000 1.217 452 L HN 0.213 nan 8.230 nan 0.000 0.420 453 G N 3.072 111.880 108.800 0.012 0.000 2.816 453 G HA2 0.716 4.676 3.960 -0.000 0.000 0.288 453 G HA3 0.716 4.676 3.960 -0.000 0.000 0.288 453 G C -1.284 173.623 174.900 0.012 0.000 1.334 453 G CA -0.452 44.657 45.100 0.014 0.000 0.978 453 G HN 0.317 nan 8.290 nan 0.000 0.493 454 K N -1.047 119.360 120.400 0.012 0.000 2.512 454 K HA 0.774 5.094 4.320 -0.000 0.000 0.263 454 K C -1.254 175.350 176.600 0.006 0.000 0.966 454 K CA -0.795 55.495 56.287 0.004 0.000 0.851 454 K CB 2.550 35.050 32.500 0.001 0.000 1.395 454 K HN 0.920 nan 8.250 nan 0.000 0.440 455 A N 0.435 123.249 122.820 -0.009 0.000 2.437 455 A HA 0.810 5.130 4.320 -0.000 0.000 0.293 455 A C -0.594 176.951 177.584 -0.065 0.000 1.038 455 A CA -0.184 51.848 52.037 -0.010 0.000 0.708 455 A CB 1.863 20.871 19.000 0.013 0.000 1.251 455 A HN 0.741 nan 8.150 nan 0.000 0.409 456 G N 0.256 109.014 108.800 -0.071 0.000 2.606 456 G HA2 0.755 4.715 3.960 -0.000 0.000 0.300 456 G HA3 0.755 4.715 3.960 -0.000 0.000 0.300 456 G C -1.189 173.667 174.900 -0.073 0.000 1.360 456 G CA 0.019 45.002 45.100 -0.196 0.000 0.783 456 G HN 1.686 nan 8.290 nan 0.000 0.484 457 Y N -3.022 117.352 120.300 0.122 0.000 2.677 457 Y HA 0.839 5.389 4.550 -0.000 0.000 0.334 457 Y C -1.262 174.712 175.900 0.122 0.000 1.154 457 Y CA -1.611 56.595 58.100 0.176 0.000 1.070 457 Y CB 2.106 40.767 38.460 0.335 0.000 1.294 457 Y HN 0.506 nan 8.280 nan 0.000 0.475 458 V N 1.582 121.764 119.914 0.447 0.000 2.655 458 V HA 0.398 4.518 4.120 -0.000 0.000 0.301 458 V C -0.313 175.800 176.094 0.031 0.000 1.082 458 V CA -0.298 62.117 62.300 0.191 0.000 0.899 458 V CB 2.066 33.933 31.823 0.074 0.000 1.014 458 V HN 1.062 nan 8.190 nan 0.000 0.429 459 T N 0.746 115.179 114.554 -0.202 0.000 2.897 459 T HA 0.288 4.638 4.350 -0.000 0.000 0.278 459 T C 1.256 175.831 174.700 -0.208 0.000 0.981 459 T CA 0.028 61.916 62.100 -0.352 0.000 0.973 459 T CB 0.976 69.368 68.868 -0.793 0.000 1.092 459 T HN 0.767 nan 8.240 nan 0.000 0.543 460 N N 0.606 119.214 118.700 -0.153 0.000 2.120 460 N HA -0.184 4.556 4.740 -0.000 0.000 0.188 460 N C 1.385 176.817 175.510 -0.131 0.000 1.024 460 N CA 0.557 53.539 53.050 -0.113 0.000 0.852 460 N CB -0.292 38.169 38.487 -0.044 0.000 1.003 460 N HN 0.357 nan 8.380 nan 0.000 0.424 461 K N 0.191 120.495 120.400 -0.159 0.000 2.360 461 K HA 0.002 4.322 4.320 -0.000 0.000 0.201 461 K C 1.059 177.588 176.600 -0.118 0.000 1.046 461 K CA 0.941 57.148 56.287 -0.134 0.000 0.940 461 K CB -0.682 31.726 32.500 -0.153 0.000 0.748 461 K HN 0.538 nan 8.250 nan 0.000 0.465 462 G N 0.811 109.531 108.800 -0.134 0.000 2.171 462 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.238 462 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.238 462 G C -0.319 174.537 174.900 -0.074 0.000 1.039 462 G CA 0.076 45.120 45.100 -0.094 0.000 0.759 462 G HN 0.303 nan 8.290 nan 0.000 0.501 463 R N 0.393 120.823 120.500 -0.116 0.000 2.207 463 R HA 0.521 4.861 4.340 -0.000 0.000 0.334 463 R C 0.225 176.563 176.300 0.062 0.000 1.013 463 R CA -0.231 55.829 56.100 -0.066 0.000 0.858 463 R CB 0.417 30.605 30.300 -0.186 0.000 1.094 463 R HN 0.502 nan 8.270 nan 0.000 0.457 464 Q N 2.651 122.550 119.800 0.165 0.000 2.418 464 Q HA 0.538 4.878 4.340 -0.000 0.000 0.276 464 Q C -1.250 174.878 176.000 0.213 0.000 1.081 464 Q CA -1.007 54.945 55.803 0.248 0.000 0.864 464 Q CB 2.717 31.516 28.738 0.101 0.000 1.384 464 Q HN 0.491 nan 8.270 nan 0.000 0.467 465 K N -0.567 119.827 120.400 -0.009 0.000 2.703 465 K HA 0.526 4.846 4.320 -0.000 0.000 0.285 465 K C -2.256 174.203 176.600 -0.235 0.000 1.014 465 K CA -0.462 55.708 56.287 -0.194 0.000 0.858 465 K CB 1.809 34.059 32.500 -0.416 0.000 1.467 465 K HN 0.360 nan 8.250 nan 0.000 0.383 466 V N 2.336 122.154 119.914 -0.161 0.000 2.752 466 V HA 0.422 4.542 4.120 -0.000 0.000 0.302 466 V C -1.402 174.641 176.094 -0.086 0.000 1.133 466 V CA -0.806 61.427 62.300 -0.112 0.000 0.919 466 V CB 2.027 33.816 31.823 -0.057 0.000 1.026 466 V HN 0.529 nan 8.190 nan 0.000 0.429 467 V N 6.257 126.126 119.914 -0.075 0.000 2.444 467 V HA 0.449 4.569 4.120 -0.000 0.000 0.294 467 V C -2.516 173.567 176.094 -0.018 0.000 1.022 467 V CA -2.173 60.101 62.300 -0.042 0.000 0.850 467 V CB 2.073 33.873 31.823 -0.038 0.000 0.992 467 V HN 0.705 nan 8.190 nan 0.000 0.426 468 P HA 0.365 nan 4.420 nan 0.000 0.271 468 P C -1.100 176.204 177.300 0.006 0.000 1.226 468 P CA 0.118 63.217 63.100 -0.001 0.000 0.765 468 P CB 0.437 32.137 31.700 -0.001 0.000 0.835 469 L N 2.572 123.800 121.223 0.009 0.000 2.388 469 L HA 0.765 5.105 4.340 -0.000 0.000 0.264 469 L C 0.420 177.297 176.870 0.012 0.000 0.998 469 L CA -0.501 54.347 54.840 0.014 0.000 0.817 469 L CB 2.302 44.373 42.059 0.020 0.000 1.338 469 L HN 0.270 nan 8.230 nan 0.000 0.414 470 T N -2.101 112.461 114.554 0.012 0.000 2.906 470 T HA 0.548 4.898 4.350 -0.000 0.000 0.295 470 T C 0.022 174.728 174.700 0.011 0.000 1.061 470 T CA -0.688 61.418 62.100 0.010 0.000 1.000 470 T CB 1.535 70.408 68.868 0.008 0.000 1.103 470 T HN 0.682 nan 8.240 nan 0.000 0.486 471 N N -0.072 118.633 118.700 0.009 0.000 2.780 471 N HA -0.169 4.571 4.740 -0.000 0.000 0.247 471 N C -0.264 175.253 175.510 0.011 0.000 1.076 471 N CA 1.444 54.500 53.050 0.009 0.000 0.688 471 N CB -1.361 37.131 38.487 0.008 0.000 0.957 471 N HN 1.308 nan 8.380 nan 0.000 0.551 472 T N -4.302 110.259 114.554 0.013 0.000 2.838 472 T HA 0.721 5.071 4.350 -0.000 0.000 0.292 472 T C -0.117 174.591 174.700 0.015 0.000 1.113 472 T CA -0.118 61.992 62.100 0.017 0.000 1.008 472 T CB 2.187 71.069 68.868 0.024 0.000 1.259 472 T HN 0.218 nan 8.240 nan 0.000 0.520 473 T N -0.539 114.025 114.554 0.017 0.000 2.930 473 T HA 0.364 4.713 4.350 -0.000 0.000 0.290 473 T C 1.097 175.803 174.700 0.010 0.000 1.052 473 T CA -0.746 61.358 62.100 0.006 0.000 1.017 473 T CB 1.281 70.143 68.868 -0.010 0.000 1.137 473 T HN 0.573 nan 8.240 nan 0.000 0.511 474 N N 1.231 119.931 118.700 -0.001 0.000 2.133 474 N HA -0.154 4.586 4.740 -0.000 0.000 0.193 474 N C 1.721 177.243 175.510 0.020 0.000 1.012 474 N CA 1.758 54.812 53.050 0.008 0.000 0.871 474 N CB -0.027 38.458 38.487 -0.003 0.000 1.011 474 N HN 0.650 nan 8.380 nan 0.000 0.435 475 Q N 0.358 120.145 119.800 -0.020 0.000 2.020 475 Q HA -0.007 4.333 4.340 -0.000 0.000 0.198 475 Q C 1.964 178.058 176.000 0.156 0.000 0.974 475 Q CA 0.707 56.526 55.803 0.027 0.000 0.829 475 Q CB 0.006 28.598 28.738 -0.243 0.000 0.894 475 Q HN 0.164 nan 8.270 nan 0.000 0.433 476 K N 0.367 120.827 120.400 0.101 0.000 2.074 476 K HA -0.164 4.156 4.320 -0.000 0.000 0.209 476 K C 2.360 179.015 176.600 0.092 0.000 1.048 476 K CA 2.026 58.374 56.287 0.102 0.000 0.926 476 K CB -0.681 31.857 32.500 0.064 0.000 0.713 476 K HN 0.452 nan 8.250 nan 0.000 0.444 477 T N -0.864 113.734 114.554 0.073 0.000 2.674 477 T HA -0.171 4.179 4.350 -0.000 0.000 0.265 477 T C 1.901 176.651 174.700 0.084 0.000 1.039 477 T CA 1.452 63.592 62.100 0.066 0.000 1.150 477 T CB -0.358 68.539 68.868 0.048 0.000 0.864 477 T HN 0.084 nan 8.240 nan 0.000 0.427 478 E N 1.252 121.511 120.200 0.098 0.000 2.169 478 E HA -0.121 4.229 4.350 -0.000 0.000 0.202 478 E C 1.975 178.644 176.600 0.115 0.000 1.016 478 E CA 1.331 57.799 56.400 0.113 0.000 0.817 478 E CB -0.728 29.064 29.700 0.153 0.000 0.736 478 E HN 0.669 nan 8.360 nan 0.000 0.462 479 L N -0.696 120.602 121.223 0.126 0.000 2.049 479 L HA -0.100 4.240 4.340 -0.000 0.000 0.203 479 L C 2.643 179.584 176.870 0.118 0.000 1.074 479 L CA 1.217 56.116 54.840 0.099 0.000 0.749 479 L CB -0.441 41.670 42.059 0.087 0.000 0.907 479 L HN 0.177 nan 8.230 nan 0.000 0.439 480 Q N 0.244 120.116 119.800 0.120 0.000 2.268 480 Q HA -0.247 4.093 4.340 -0.000 0.000 0.210 480 Q C 2.036 178.123 176.000 0.145 0.000 0.988 480 Q CA 2.055 57.953 55.803 0.158 0.000 0.883 480 Q CB -0.121 28.684 28.738 0.111 0.000 0.911 480 Q HN 0.499 nan 8.270 nan 0.000 0.430 481 A N -0.243 122.637 122.820 0.101 0.000 1.929 481 A HA -0.081 4.239 4.320 -0.000 0.000 0.216 481 A C 1.951 179.589 177.584 0.089 0.000 1.176 481 A CA 1.239 53.324 52.037 0.080 0.000 0.628 481 A CB -0.429 18.618 19.000 0.078 0.000 0.816 481 A HN 0.474 nan 8.150 nan 0.000 0.444 482 I N -1.829 118.794 120.570 0.089 0.000 2.761 482 I HA -0.144 4.026 4.170 -0.000 0.000 0.261 482 I C 2.270 178.425 176.117 0.063 0.000 1.198 482 I CA 0.877 62.212 61.300 0.058 0.000 1.482 482 I CB -0.175 37.851 38.000 0.044 0.000 1.100 482 I HN 0.518 nan 8.210 nan 0.000 0.445 483 Y N 1.098 121.387 120.300 -0.017 0.000 2.337 483 Y HA -0.106 4.444 4.550 -0.000 0.000 0.293 483 Y C 2.055 177.941 175.900 -0.024 0.000 1.123 483 Y CA 1.030 59.111 58.100 -0.031 0.000 1.201 483 Y CB -0.055 38.394 38.460 -0.020 0.000 1.011 483 Y HN -0.009 nan 8.280 nan 0.000 0.545 484 L N 0.397 121.531 121.223 -0.148 0.000 1.973 484 L HA -0.052 4.288 4.340 -0.000 0.000 0.208 484 L C 2.709 179.526 176.870 -0.087 0.000 1.073 484 L CA 2.162 56.903 54.840 -0.165 0.000 0.746 484 L CB -1.593 40.433 42.059 -0.055 0.000 0.891 484 L HN 0.240 nan 8.230 nan 0.000 0.433 485 A N -0.457 122.378 122.820 0.026 0.000 1.870 485 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 485 A C 2.320 179.514 177.584 -0.649 0.000 1.224 485 A CA 2.549 54.357 52.037 -0.382 0.000 0.650 485 A CB -1.273 17.556 19.000 -0.286 0.000 0.836 485 A HN 0.449 nan 8.150 nan 0.000 0.454 486 L N -0.971 120.019 121.223 -0.389 0.000 1.991 486 L HA -0.370 3.969 4.340 -0.000 0.000 0.221 486 L C 3.038 179.709 176.870 -0.333 0.000 1.079 486 L CA 2.274 56.919 54.840 -0.327 0.000 0.778 486 L CB -0.734 41.213 42.059 -0.186 0.000 0.893 486 L HN 0.560 nan 8.230 nan 0.000 0.437 487 Q N -0.233 119.333 119.800 -0.392 0.000 1.967 487 Q HA -0.260 4.080 4.340 -0.000 0.000 0.210 487 Q C 1.636 177.523 176.000 -0.189 0.000 1.005 487 Q CA 2.041 57.649 55.803 -0.324 0.000 0.862 487 Q CB -0.344 28.138 28.738 -0.427 0.000 0.939 487 Q HN 0.522 nan 8.270 nan 0.000 0.417 488 D N 0.565 120.885 120.400 -0.134 0.000 2.392 488 D HA -0.038 4.602 4.640 -0.000 0.000 0.228 488 D C 0.626 176.914 176.300 -0.020 0.000 1.003 488 D CA 0.430 54.431 54.000 0.001 0.000 0.917 488 D CB -0.155 40.802 40.800 0.261 0.000 0.890 488 D HN 0.157 nan 8.370 nan 0.000 0.532 489 S N -0.888 114.645 115.700 -0.278 0.000 2.713 489 S HA 0.655 5.124 4.470 -0.000 0.000 0.283 489 S C 0.697 175.277 174.600 -0.033 0.000 1.161 489 S CA -0.648 57.461 58.200 -0.151 0.000 0.999 489 S CB 2.166 65.082 63.200 -0.474 0.000 1.039 489 S HN 0.052 nan 8.310 nan 0.000 0.548 490 G N -0.318 108.505 108.800 0.038 0.000 2.525 490 G HA2 0.439 4.399 3.960 -0.000 0.000 0.287 490 G HA3 0.439 4.399 3.960 -0.000 0.000 0.287 490 G C 0.573 175.475 174.900 0.004 0.000 1.350 490 G CA -1.093 44.020 45.100 0.022 0.000 1.039 490 G HN 0.763 nan 8.290 nan 0.000 0.513 491 L N -0.535 120.693 121.223 0.009 0.000 2.661 491 L HA 0.002 4.342 4.340 -0.000 0.000 0.236 491 L C 0.871 177.750 176.870 0.015 0.000 1.176 491 L CA 1.144 55.989 54.840 0.009 0.000 0.836 491 L CB -0.465 41.603 42.059 0.015 0.000 0.960 491 L HN 0.405 nan 8.230 nan 0.000 0.455 492 E N -1.125 119.088 120.200 0.022 0.000 2.331 492 E HA 0.621 4.971 4.350 -0.000 0.000 0.275 492 E C -1.393 175.235 176.600 0.046 0.000 0.895 492 E CA -0.362 56.058 56.400 0.033 0.000 0.753 492 E CB 3.388 33.109 29.700 0.035 0.000 1.216 492 E HN -0.193 nan 8.360 nan 0.000 0.434 493 V N 2.363 122.310 119.914 0.055 0.000 3.167 493 V HA 0.398 4.518 4.120 -0.000 0.000 0.293 493 V C -2.076 174.086 176.094 0.114 0.000 1.379 493 V CA -0.689 61.661 62.300 0.084 0.000 1.019 493 V CB 2.592 34.413 31.823 -0.004 0.000 1.115 493 V HN 0.654 nan 8.190 nan 0.000 0.442 494 N N 4.084 122.878 118.700 0.156 0.000 2.443 494 N HA 0.724 5.463 4.740 -0.000 0.000 0.269 494 N C -1.098 174.502 175.510 0.150 0.000 0.985 494 N CA -0.124 53.040 53.050 0.190 0.000 0.921 494 N CB 1.649 40.226 38.487 0.150 0.000 1.195 494 N HN 0.626 nan 8.380 nan 0.000 0.492 495 I N 1.189 121.817 120.570 0.096 0.000 2.493 495 I HA 0.468 4.638 4.170 -0.000 0.000 0.298 495 I C -0.500 175.592 176.117 -0.041 0.000 0.998 495 I CA -0.959 60.358 61.300 0.028 0.000 1.137 495 I CB 1.924 39.919 38.000 -0.009 0.000 1.310 495 I HN 0.023 nan 8.210 nan 0.000 0.445 496 V N 4.941 124.790 119.914 -0.108 0.000 2.483 496 V HA 0.519 4.639 4.120 -0.000 0.000 0.297 496 V C -0.287 175.740 176.094 -0.112 0.000 1.027 496 V CA -0.129 62.059 62.300 -0.188 0.000 0.855 496 V CB 2.147 33.684 31.823 -0.477 0.000 0.995 496 V HN 0.834 nan 8.190 nan 0.000 0.424 497 T N 3.043 117.548 114.554 -0.081 0.000 2.930 497 T HA 0.371 4.721 4.350 -0.000 0.000 0.290 497 T C 0.401 175.016 174.700 -0.142 0.000 1.052 497 T CA -0.380 61.695 62.100 -0.042 0.000 1.017 497 T CB 1.784 70.678 68.868 0.044 0.000 1.137 497 T HN 0.818 nan 8.240 nan 0.000 0.511 498 D N -0.490 119.846 120.400 -0.106 0.000 2.388 498 D HA 0.006 4.646 4.640 -0.000 0.000 0.208 498 D C 0.941 177.276 176.300 0.058 0.000 1.035 498 D CA 0.026 53.892 54.000 -0.222 0.000 0.875 498 D CB -0.202 40.496 40.800 -0.169 0.000 0.984 498 D HN 0.434 nan 8.370 nan 0.000 0.508 499 S N 0.444 116.260 115.700 0.193 0.000 2.448 499 S HA 0.148 4.617 4.470 -0.000 0.000 0.279 499 S C 0.759 175.604 174.600 0.410 0.000 1.195 499 S CA -0.533 57.852 58.200 0.307 0.000 1.051 499 S CB 1.614 64.960 63.200 0.244 0.000 0.948 499 S HN -0.048 nan 8.310 nan 0.000 0.493 500 Q N 2.323 122.348 119.800 0.374 0.000 2.364 500 Q HA -0.051 4.289 4.340 -0.000 0.000 0.207 500 Q C 1.208 177.240 176.000 0.053 0.000 0.970 500 Q CA 1.372 57.172 55.803 -0.005 0.000 0.888 500 Q CB -0.510 28.093 28.738 -0.224 0.000 0.951 500 Q HN 0.926 nan 8.270 nan 0.000 0.469 501 Y N 1.205 121.520 120.300 0.025 0.000 2.090 501 Y HA -0.207 4.343 4.550 -0.000 0.000 0.274 501 Y C 2.353 178.257 175.900 0.006 0.000 1.110 501 Y CA 1.551 59.657 58.100 0.010 0.000 1.092 501 Y CB -0.936 37.543 38.460 0.031 0.000 0.992 501 Y HN 0.058 nan 8.280 nan 0.000 0.479 502 A N 0.711 123.507 122.820 -0.039 0.000 1.903 502 A HA -0.269 4.051 4.320 -0.000 0.000 0.219 502 A C 2.245 179.748 177.584 -0.134 0.000 1.191 502 A CA 2.182 54.126 52.037 -0.155 0.000 0.638 502 A CB -1.539 17.491 19.000 0.050 0.000 0.823 502 A HN 0.622 nan 8.150 nan 0.000 0.451 503 L N -0.264 120.947 121.223 -0.019 0.000 1.933 503 L HA -0.068 4.272 4.340 -0.000 0.000 0.220 503 L C 2.546 179.372 176.870 -0.073 0.000 1.078 503 L CA 2.746 57.578 54.840 -0.013 0.000 0.773 503 L CB -1.467 40.624 42.059 0.054 0.000 0.890 503 L HN 0.376 nan 8.230 nan 0.000 0.434 504 G N 0.062 108.804 108.800 -0.097 0.000 2.766 504 G HA2 -0.391 3.569 3.960 -0.000 0.000 0.222 504 G HA3 -0.391 3.569 3.960 -0.000 0.000 0.222 504 G C 1.610 176.457 174.900 -0.088 0.000 1.225 504 G CA 1.992 47.038 45.100 -0.089 0.000 0.784 504 G HN 0.616 nan 8.290 nan 0.000 0.631 505 I N 0.124 120.568 120.570 -0.210 0.000 2.181 505 I HA -0.270 3.900 4.170 -0.000 0.000 0.247 505 I C 2.620 178.650 176.117 -0.145 0.000 1.081 505 I CA 1.149 62.277 61.300 -0.286 0.000 1.340 505 I CB -0.414 37.229 38.000 -0.595 0.000 1.036 505 I HN 0.126 nan 8.210 nan 0.000 0.417 506 I N 0.156 120.670 120.570 -0.093 0.000 2.353 506 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 506 I C 2.646 178.827 176.117 0.107 0.000 1.119 506 I CA 1.441 62.752 61.300 0.018 0.000 1.417 506 I CB -0.429 37.574 38.000 0.005 0.000 1.078 506 I HN 0.189 nan 8.210 nan 0.000 0.421 507 Q N -0.051 119.786 119.800 0.062 0.000 2.096 507 Q HA -0.201 4.139 4.340 -0.000 0.000 0.204 507 Q C 2.300 178.370 176.000 0.117 0.000 0.982 507 Q CA 1.737 57.591 55.803 0.085 0.000 0.850 507 Q CB -0.366 28.404 28.738 0.052 0.000 0.901 507 Q HN 0.581 nan 8.270 nan 0.000 0.422 508 A N 0.390 123.299 122.820 0.148 0.000 2.131 508 A HA -0.214 4.106 4.320 -0.000 0.000 0.220 508 A C 0.545 178.204 177.584 0.125 0.000 1.158 508 A CA 1.064 53.224 52.037 0.204 0.000 0.665 508 A CB -0.236 18.912 19.000 0.247 0.000 0.795 508 A HN 0.490 nan 8.150 nan 0.000 0.460 509 Q N -2.716 117.142 119.800 0.097 0.000 2.470 509 Q HA -0.119 4.221 4.340 -0.000 0.000 0.294 509 Q C -2.386 173.680 176.000 0.111 0.000 1.356 509 Q CA 0.454 56.259 55.803 0.004 0.000 0.805 509 Q CB -2.130 26.369 28.738 -0.398 0.000 1.157 509 Q HN 0.456 nan 8.270 nan 0.000 0.431 510 P HA -0.115 nan 4.420 nan 0.000 0.256 510 P C 0.394 177.797 177.300 0.171 0.000 1.173 510 P CA 1.003 64.198 63.100 0.157 0.000 0.768 510 P CB 0.481 32.277 31.700 0.160 0.000 0.758 511 D N 3.680 124.169 120.400 0.149 0.000 2.182 511 D HA -0.179 4.461 4.640 -0.000 0.000 0.201 511 D C 0.467 176.763 176.300 -0.006 0.000 0.986 511 D CA 1.710 55.784 54.000 0.123 0.000 0.847 511 D CB 0.155 41.085 40.800 0.217 0.000 0.942 511 D HN 0.105 nan 8.370 nan 0.000 0.467 512 K N -2.026 118.404 120.400 0.050 0.000 2.755 512 K HA 0.511 4.831 4.320 -0.000 0.000 0.294 512 K C -1.631 175.014 176.600 0.075 0.000 1.060 512 K CA -0.725 55.575 56.287 0.020 0.000 0.845 512 K CB 1.456 33.939 32.500 -0.029 0.000 1.539 512 K HN -0.027 nan 8.250 nan 0.000 0.379 513 S N -0.188 115.540 115.700 0.047 0.000 2.580 513 S HA 0.192 4.662 4.470 -0.000 0.000 0.281 513 S C -0.493 174.104 174.600 -0.005 0.000 1.129 513 S CA -0.332 57.888 58.200 0.033 0.000 0.862 513 S CB 1.294 64.573 63.200 0.131 0.000 1.090 513 S HN 0.484 nan 8.310 nan 0.000 0.451 514 E N 1.614 121.795 120.200 -0.032 0.000 2.418 514 E HA 0.040 4.389 4.350 -0.000 0.000 0.197 514 E C 0.746 177.328 176.600 -0.030 0.000 1.026 514 E CA 0.378 56.758 56.400 -0.034 0.000 0.862 514 E CB 0.003 29.681 29.700 -0.037 0.000 0.799 514 E HN 0.505 nan 8.360 nan 0.000 0.518 515 S N 1.185 116.874 115.700 -0.019 0.000 3.570 515 S HA -0.075 4.395 4.470 -0.000 0.000 0.259 515 S C 1.211 175.804 174.600 -0.012 0.000 1.150 515 S CA 0.111 58.313 58.200 0.003 0.000 1.139 515 S CB -0.419 62.818 63.200 0.061 0.000 1.624 515 S HN 0.233 nan 8.310 nan 0.000 0.525 516 E N 2.239 122.415 120.200 -0.039 0.000 2.277 516 E HA -0.281 4.069 4.350 -0.000 0.000 0.216 516 E C 1.605 178.136 176.600 -0.114 0.000 1.068 516 E CA 1.899 58.256 56.400 -0.072 0.000 0.866 516 E CB -0.212 29.446 29.700 -0.070 0.000 0.749 516 E HN 0.751 nan 8.360 nan 0.000 0.465 517 L N -0.074 121.091 121.223 -0.097 0.000 1.976 517 L HA -0.173 4.166 4.340 -0.000 0.000 0.209 517 L C 2.323 179.106 176.870 -0.145 0.000 1.071 517 L CA 1.733 56.484 54.840 -0.149 0.000 0.746 517 L CB -0.758 41.264 42.059 -0.063 0.000 0.890 517 L HN 0.104 nan 8.230 nan 0.000 0.432 518 V N 0.461 120.350 119.914 -0.043 0.000 2.324 518 V HA -0.371 3.749 4.120 -0.000 0.000 0.250 518 V C 2.284 178.341 176.094 -0.063 0.000 1.060 518 V CA 2.345 64.632 62.300 -0.022 0.000 1.042 518 V CB -1.213 30.663 31.823 0.088 0.000 0.650 518 V HN 0.578 nan 8.190 nan 0.000 0.450 519 N N -0.247 118.410 118.700 -0.071 0.000 2.013 519 N HA -0.263 4.477 4.740 -0.000 0.000 0.195 519 N C 1.962 177.388 175.510 -0.141 0.000 1.051 519 N CA 1.649 54.642 53.050 -0.095 0.000 0.851 519 N CB -0.269 38.161 38.487 -0.094 0.000 1.044 519 N HN 0.537 nan 8.380 nan 0.000 0.422 520 Q N 0.440 120.107 119.800 -0.222 0.000 2.182 520 Q HA -0.233 4.107 4.340 -0.000 0.000 0.213 520 Q C 2.089 177.952 176.000 -0.228 0.000 1.000 520 Q CA 1.438 57.032 55.803 -0.349 0.000 0.889 520 Q CB -0.243 28.032 28.738 -0.773 0.000 0.932 520 Q HN 0.499 nan 8.270 nan 0.000 0.415 521 I N 0.183 120.639 120.570 -0.190 0.000 2.133 521 I HA -0.291 3.879 4.170 -0.000 0.000 0.238 521 I C 2.271 178.351 176.117 -0.061 0.000 1.074 521 I CA 1.055 62.357 61.300 0.003 0.000 1.342 521 I CB -0.357 37.634 38.000 -0.015 0.000 1.053 521 I HN 0.232 nan 8.210 nan 0.000 0.404 522 I N 0.658 121.167 120.570 -0.102 0.000 2.143 522 I HA -0.361 3.809 4.170 -0.000 0.000 0.245 522 I C 2.607 178.623 176.117 -0.170 0.000 1.068 522 I CA 1.705 62.915 61.300 -0.150 0.000 1.326 522 I CB -0.536 37.418 38.000 -0.078 0.000 1.028 522 I HN 0.323 nan 8.210 nan 0.000 0.412 523 E N 0.867 121.001 120.200 -0.110 0.000 2.077 523 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 523 E C 2.177 178.743 176.600 -0.056 0.000 0.989 523 E CA 1.404 57.754 56.400 -0.083 0.000 0.800 523 E CB -0.174 29.491 29.700 -0.060 0.000 0.746 523 E HN 0.325 nan 8.360 nan 0.000 0.452 524 Q N -0.138 119.655 119.800 -0.012 0.000 2.181 524 Q HA -0.123 4.217 4.340 -0.000 0.000 0.205 524 Q C 2.349 178.301 176.000 -0.080 0.000 0.980 524 Q CA 1.051 56.853 55.803 -0.002 0.000 0.862 524 Q CB -0.175 28.606 28.738 0.071 0.000 0.905 524 Q HN 0.407 nan 8.270 nan 0.000 0.429 525 L N -0.101 121.018 121.223 -0.174 0.000 2.083 525 L HA -0.170 4.170 4.340 -0.000 0.000 0.209 525 L C 2.304 179.025 176.870 -0.248 0.000 1.083 525 L CA 0.845 55.499 54.840 -0.311 0.000 0.752 525 L CB -0.350 41.293 42.059 -0.694 0.000 0.899 525 L HN 0.211 nan 8.230 nan 0.000 0.433 526 I N -0.336 120.132 120.570 -0.170 0.000 2.353 526 I HA -0.261 3.909 4.170 -0.000 0.000 0.248 526 I C 2.583 178.722 176.117 0.036 0.000 1.119 526 I CA 1.091 62.395 61.300 0.007 0.000 1.417 526 I CB -0.228 37.816 38.000 0.073 0.000 1.078 526 I HN 0.210 nan 8.210 nan 0.000 0.421 527 K N 1.140 121.542 120.400 0.004 0.000 2.288 527 K HA -0.079 4.241 4.320 -0.000 0.000 0.201 527 K C 0.752 177.359 176.600 0.011 0.000 1.048 527 K CA 0.607 56.904 56.287 0.016 0.000 0.956 527 K CB 0.314 32.819 32.500 0.008 0.000 0.746 527 K HN 0.007 nan 8.250 nan 0.000 0.461 528 K N 1.005 121.401 120.400 -0.006 0.000 2.230 528 K HA -0.051 4.269 4.320 -0.000 0.000 0.253 528 K C 0.867 177.482 176.600 0.026 0.000 1.008 528 K CA 0.352 56.639 56.287 -0.001 0.000 0.910 528 K CB 1.093 33.581 32.500 -0.020 0.000 0.994 528 K HN 0.190 nan 8.250 nan 0.000 0.495 529 E N 0.988 121.205 120.200 0.028 0.000 2.079 529 E HA -0.019 4.331 4.350 -0.000 0.000 0.191 529 E C -0.519 176.111 176.600 0.050 0.000 0.961 529 E CA 0.852 57.276 56.400 0.039 0.000 0.823 529 E CB 0.469 30.187 29.700 0.031 0.000 0.789 529 E HN 0.345 nan 8.360 nan 0.000 0.459 530 K N 0.507 120.936 120.400 0.048 0.000 2.535 530 K HA 0.409 4.729 4.320 -0.000 0.000 0.251 530 K C -1.563 175.079 176.600 0.071 0.000 0.942 530 K CA -0.619 55.707 56.287 0.066 0.000 0.798 530 K CB 2.980 35.516 32.500 0.059 0.000 1.267 530 K HN -0.120 nan 8.250 nan 0.000 0.434 531 V N 1.918 121.890 119.914 0.095 0.000 2.864 531 V HA 0.509 4.628 4.120 -0.000 0.000 0.314 531 V C -1.382 174.819 176.094 0.178 0.000 1.073 531 V CA -1.011 61.347 62.300 0.097 0.000 0.956 531 V CB 1.747 33.599 31.823 0.048 0.000 1.023 531 V HN 0.785 nan 8.190 nan 0.000 0.435 532 Y N 2.886 123.198 120.300 0.021 0.000 2.396 532 Y HA 0.699 5.249 4.550 -0.000 0.000 0.332 532 Y C -1.251 174.660 175.900 0.018 0.000 1.034 532 Y CA -0.592 57.524 58.100 0.026 0.000 1.057 532 Y CB 1.549 40.021 38.460 0.021 0.000 1.220 532 Y HN 0.584 nan 8.280 nan 0.000 0.440 533 L N 5.309 126.236 121.223 -0.494 0.000 2.334 533 L HA 0.956 5.296 4.340 -0.000 0.000 0.272 533 L C -0.716 175.825 176.870 -0.549 0.000 1.020 533 L CA -1.051 53.578 54.840 -0.352 0.000 0.812 533 L CB 1.836 43.787 42.059 -0.180 0.000 1.264 533 L HN 0.824 nan 8.230 nan 0.000 0.439 534 A N 2.051 124.736 122.820 -0.225 0.000 2.488 534 A HA 0.478 4.798 4.320 -0.000 0.000 0.298 534 A C -2.146 175.450 177.584 0.020 0.000 1.044 534 A CA -0.403 51.569 52.037 -0.109 0.000 0.693 534 A CB 1.209 20.198 19.000 -0.018 0.000 1.272 534 A HN 0.725 nan 8.150 nan 0.000 0.402 535 W N 2.979 124.226 121.300 -0.090 0.000 2.478 535 W HA 0.651 5.311 4.660 -0.000 0.000 0.318 535 W C -1.575 174.924 176.519 -0.034 0.000 1.062 535 W CA -0.349 56.960 57.345 -0.060 0.000 1.210 535 W CB 1.638 31.064 29.460 -0.056 0.000 1.325 535 W HN 0.541 nan 8.180 nan 0.000 0.496 536 V N 8.505 127.767 119.914 -1.086 0.000 2.686 536 V HA 0.396 4.516 4.120 -0.000 0.000 0.306 536 V C -1.784 173.491 176.094 -1.364 0.000 1.065 536 V CA -2.150 59.554 62.300 -0.992 0.000 0.894 536 V CB 2.093 33.659 31.823 -0.428 0.000 1.004 536 V HN 0.474 nan 8.190 nan 0.000 0.424 537 P HA -0.020 nan 4.420 nan 0.000 0.264 537 P C 0.459 177.532 177.300 -0.379 0.000 1.173 537 P CA 0.505 63.231 63.100 -0.622 0.000 0.761 537 P CB 0.820 32.382 31.700 -0.230 0.000 0.794 538 A N 4.424 127.082 122.820 -0.269 0.000 1.819 538 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 538 A C 1.822 179.258 177.584 -0.247 0.000 1.226 538 A CA 1.214 53.067 52.037 -0.306 0.000 0.608 538 A CB -1.645 17.078 19.000 -0.461 0.000 0.877 538 A HN 0.677 nan 8.150 nan 0.000 0.452 539 H N 0.346 119.410 119.070 -0.011 0.000 2.563 539 H HA 0.037 4.593 4.556 -0.000 0.000 0.272 539 H C 0.739 176.062 175.328 -0.009 0.000 1.005 539 H CA 1.479 57.525 56.048 -0.004 0.000 1.171 539 H CB 0.046 29.813 29.762 0.008 0.000 1.351 539 H HN 0.768 nan 8.280 nan 0.000 0.602 540 K N -1.143 119.290 120.400 0.055 0.000 2.614 540 K HA 0.195 4.515 4.320 -0.000 0.000 0.190 540 K C 0.853 177.450 176.600 -0.006 0.000 1.255 540 K CA 0.217 56.524 56.287 0.033 0.000 1.099 540 K CB 0.424 32.953 32.500 0.048 0.000 1.023 540 K HN 0.048 nan 8.250 nan 0.000 0.576 541 G N 1.904 110.678 108.800 -0.043 0.000 2.722 541 G HA2 0.156 4.115 3.960 -0.000 0.000 0.201 541 G HA3 0.156 4.115 3.960 -0.000 0.000 0.201 541 G C 0.721 175.606 174.900 -0.025 0.000 1.926 541 G CA -0.321 44.744 45.100 -0.058 0.000 0.872 541 G HN 0.130 nan 8.290 nan 0.000 0.581 542 I N 0.778 121.337 120.570 -0.018 0.000 2.361 542 I HA 0.269 4.439 4.170 -0.000 0.000 0.167 542 I C 1.131 177.257 176.117 0.015 0.000 1.422 542 I CA 1.438 62.760 61.300 0.036 0.000 0.586 542 I CB 0.279 38.353 38.000 0.123 0.000 1.883 542 I HN 0.405 nan 8.210 nan 0.000 1.130 543 G N -0.120 108.688 108.800 0.012 0.000 5.233 543 G HA2 0.390 4.350 3.960 -0.000 0.000 0.203 543 G HA3 0.390 4.350 3.960 -0.000 0.000 0.203 543 G C 0.071 174.960 174.900 -0.019 0.000 0.734 543 G CA 0.302 45.397 45.100 -0.010 0.000 0.662 543 G HN 0.894 nan 8.290 nan 0.000 0.468 544 G N 0.012 108.819 108.800 0.012 0.000 2.695 544 G HA2 0.047 4.007 3.960 -0.000 0.000 0.205 544 G HA3 0.047 4.007 3.960 -0.000 0.000 0.205 544 G C 1.048 175.970 174.900 0.038 0.000 1.068 544 G CA 0.462 45.573 45.100 0.018 0.000 0.842 544 G HN 0.405 nan 8.290 nan 0.000 0.628 545 N N 1.048 119.771 118.700 0.038 0.000 2.039 545 N HA -0.129 4.611 4.740 -0.000 0.000 0.193 545 N C 1.852 177.378 175.510 0.026 0.000 1.044 545 N CA 0.961 54.031 53.050 0.033 0.000 0.847 545 N CB -0.165 38.335 38.487 0.021 0.000 1.030 545 N HN 0.060 nan 8.380 nan 0.000 0.422 546 E N 1.905 122.118 120.200 0.022 0.000 2.082 546 E HA -0.298 4.051 4.350 -0.000 0.000 0.215 546 E C 1.782 178.389 176.600 0.013 0.000 1.048 546 E CA 1.795 58.206 56.400 0.018 0.000 0.869 546 E CB -0.343 29.366 29.700 0.014 0.000 0.773 546 E HN 0.406 nan 8.360 nan 0.000 0.466 547 Q N -0.691 119.113 119.800 0.007 0.000 2.376 547 Q HA -0.135 4.205 4.340 -0.000 0.000 0.211 547 Q C 2.057 178.061 176.000 0.007 0.000 0.986 547 Q CA 1.263 57.068 55.803 0.003 0.000 0.886 547 Q CB 0.115 28.851 28.738 -0.005 0.000 0.927 547 Q HN 0.182 nan 8.270 nan 0.000 0.457 548 V N -0.573 119.349 119.914 0.013 0.000 3.379 548 V HA -0.068 4.051 4.120 -0.000 0.000 0.249 548 V C 1.345 177.446 176.094 0.012 0.000 1.184 548 V CA 0.697 63.005 62.300 0.012 0.000 1.106 548 V CB 0.223 32.057 31.823 0.018 0.000 0.826 548 V HN 0.219 nan 8.190 nan 0.000 0.465 549 D N 0.639 121.049 120.400 0.017 0.000 2.123 549 D HA -0.137 4.502 4.640 -0.000 0.000 0.200 549 D C 2.059 178.367 176.300 0.015 0.000 0.976 549 D CA 1.038 55.050 54.000 0.019 0.000 0.831 549 D CB 0.120 40.935 40.800 0.026 0.000 0.974 549 D HN 0.285 nan 8.370 nan 0.000 0.469 550 K N 0.459 120.867 120.400 0.012 0.000 2.281 550 K HA -0.086 4.234 4.320 -0.000 0.000 0.203 550 K C 2.191 178.794 176.600 0.006 0.000 1.046 550 K CA 0.443 56.735 56.287 0.009 0.000 0.938 550 K CB 0.072 32.576 32.500 0.006 0.000 0.737 550 K HN 0.109 nan 8.250 nan 0.000 0.458 551 L N 0.201 121.427 121.223 0.006 0.000 2.049 551 L HA -0.060 4.280 4.340 -0.000 0.000 0.203 551 L C 1.237 178.109 176.870 0.004 0.000 1.074 551 L CA 0.225 55.067 54.840 0.003 0.000 0.749 551 L CB -0.373 41.687 42.059 0.001 0.000 0.907 551 L HN -0.108 nan 8.230 nan 0.000 0.439 552 V N 0.000 119.917 119.914 0.006 0.000 2.409 552 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 552 V CA 0.000 62.304 62.300 0.007 0.000 1.235 552 V CB 0.000 31.829 31.823 0.010 0.000 1.184 552 V HN 0.000 nan 8.190 nan 0.000 0.556