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 1zdl_1_A DATA FIRST_RESID 38 DATA SEQUENCE QSFDLLVIGG GSGGLACAKE AAQLGKKVAV ADYVEPSPRG TKWGLGGTCV DATA SEQUENCE NVGCIPKKLM HQAALLGGMI RDAHHYGWEV AQPVQHNWKT MAEAVQNHVK DATA SEQUENCE SLNWGHRVQL QDRKVKYFNI KASFVDEHTV RGVDKGGKAT LLSAEHIVIA DATA SEQUENCE TGGRPRYPTQ VKGALEYGIT SDDIFWLKES PGKTLVVGAS YVALECAGFL DATA SEQUENCE TGIGLDTTVM MRSIPLRGFD QQMSSLVTEH MESHGTQFLK GCVPSHIKKL DATA SEQUENCE PTNQLQVTWE DHASGKEDTG TFDTVLWAIG RVPETRTLNL EKAGISTNPK DATA SEQUENCE NQKIIVDAQE ATSVPHIYAI GDVAEGRPEL TPTAIKAGKL LAQRLFGKSS DATA SEQUENCE TLMDYSNVPT TVFTPLEYGC VGLSEEEAVA LHGQEHVEVY HAYYKPLEFT DATA SEQUENCE VADRDASQCY IKMVCMREPP QLVLGLHFLG PNAGEVTQGF ALGIKCGASY DATA SEQUENCE AQVMQTVGIH PTCSEEVVKL HISKRSGLEP TVTG 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 38 Q HA 0.000 nan 4.340 nan 0.000 0.214 38 Q C 0.000 175.819 176.000 -0.302 0.000 1.003 38 Q CA 0.000 55.649 55.803 -0.257 0.000 1.022 38 Q CB 0.000 28.565 28.738 -0.289 0.000 1.108 39 S N -0.681 114.798 115.700 -0.369 0.000 2.541 39 S HA 0.806 5.276 4.470 0.001 0.000 0.283 39 S C -1.561 172.737 174.600 -0.504 0.000 1.196 39 S CA -0.409 57.620 58.200 -0.284 0.000 1.062 39 S CB 0.255 63.356 63.200 -0.165 0.000 1.009 39 S HN 0.298 nan 8.310 nan 0.000 0.502 40 F N 1.167 121.138 119.950 0.036 0.000 2.599 40 F HA 0.308 4.835 4.527 0.001 0.000 0.311 40 F C 0.564 176.379 175.800 0.026 0.000 1.076 40 F CA -1.044 56.985 58.000 0.047 0.000 0.937 40 F CB 1.628 40.690 39.000 0.103 0.000 1.282 40 F HN 0.610 nan 8.300 nan 0.000 0.460 41 D N 0.260 120.783 120.400 0.205 0.000 2.328 41 D HA 0.250 4.890 4.640 0.001 0.000 0.226 41 D C -0.361 176.037 176.300 0.164 0.000 1.066 41 D CA 0.511 54.573 54.000 0.102 0.000 0.861 41 D CB 0.448 41.237 40.800 -0.018 0.000 0.912 41 D HN 0.213 nan 8.370 nan 0.000 0.521 42 L N 0.272 121.623 121.223 0.214 0.000 2.737 42 L HA 0.391 4.731 4.340 0.001 0.000 0.261 42 L C -2.252 174.734 176.870 0.193 0.000 0.949 42 L CA -0.981 54.008 54.840 0.248 0.000 0.952 42 L CB 1.815 44.004 42.059 0.217 0.000 1.337 42 L HN 0.043 nan 8.230 nan 0.000 0.430 43 L N 6.081 127.441 121.223 0.228 0.000 2.322 43 L HA 0.870 5.210 4.340 0.001 0.000 0.281 43 L C -1.330 175.630 176.870 0.149 0.000 1.014 43 L CA -0.336 54.605 54.840 0.168 0.000 0.815 43 L CB 1.946 44.128 42.059 0.206 0.000 1.247 43 L HN 0.364 nan 8.230 nan 0.000 0.421 44 V N 6.192 126.158 119.914 0.087 0.000 2.448 44 V HA 0.491 4.612 4.120 0.001 0.000 0.295 44 V C -0.271 175.858 176.094 0.058 0.000 1.025 44 V CA -0.577 61.768 62.300 0.075 0.000 0.859 44 V CB 1.741 33.589 31.823 0.042 0.000 0.988 44 V HN 0.528 nan 8.190 nan 0.000 0.431 45 I N 4.172 124.774 120.570 0.053 0.000 2.330 45 I HA 0.687 4.857 4.170 0.001 0.000 0.286 45 I C 0.717 176.860 176.117 0.043 0.000 1.025 45 I CA 0.030 61.350 61.300 0.032 0.000 1.197 45 I CB 0.489 38.479 38.000 -0.018 0.000 1.358 45 I HN 0.919 nan 8.210 nan 0.000 0.467 46 G N 3.859 112.689 108.800 0.050 0.000 2.992 46 G HA2 -0.021 3.939 3.960 0.001 0.000 0.677 46 G HA3 -0.021 3.939 3.960 0.001 0.000 0.677 46 G C 0.235 175.141 174.900 0.011 0.000 1.191 46 G CA -0.603 44.524 45.100 0.045 0.000 1.178 46 G HN 0.999 nan 8.290 nan 0.000 0.506 47 G N 0.705 109.506 108.800 0.000 0.000 3.284 47 G HA2 0.611 4.572 3.960 0.001 0.000 0.251 47 G HA3 0.611 4.572 3.960 0.001 0.000 0.251 47 G C 0.816 175.642 174.900 -0.124 0.000 0.913 47 G CA 0.833 45.881 45.100 -0.086 0.000 1.947 47 G HN 1.228 nan 8.290 nan 0.000 0.635 48 G N -0.545 108.202 108.800 -0.089 0.000 2.552 48 G HA2 0.415 4.375 3.960 0.001 0.000 0.324 48 G HA3 0.415 4.375 3.960 0.001 0.000 0.324 48 G C 1.089 175.913 174.900 -0.128 0.000 1.217 48 G CA 0.028 45.071 45.100 -0.096 0.000 0.989 48 G HN 0.170 nan 8.290 nan 0.000 0.490 49 S N -0.166 115.466 115.700 -0.113 0.000 2.399 49 S HA -0.213 4.257 4.470 0.001 0.000 0.235 49 S C 2.370 176.936 174.600 -0.058 0.000 1.063 49 S CA 2.073 60.218 58.200 -0.092 0.000 1.070 49 S CB -0.451 62.719 63.200 -0.050 0.000 0.904 49 S HN 0.858 nan 8.310 nan 0.000 0.456 50 G N 0.812 109.593 108.800 -0.032 0.000 2.439 50 G HA2 0.197 4.158 3.960 0.001 0.000 0.212 50 G HA3 0.197 4.158 3.960 0.001 0.000 0.212 50 G C 1.441 176.330 174.900 -0.018 0.000 1.199 50 G CA 0.638 45.732 45.100 -0.010 0.000 0.807 50 G HN 0.559 nan 8.290 nan 0.000 0.537 51 G N 1.411 110.200 108.800 -0.018 0.000 2.586 51 G HA2 -0.252 3.708 3.960 0.001 0.000 0.218 51 G HA3 -0.252 3.708 3.960 0.001 0.000 0.218 51 G C 1.828 176.703 174.900 -0.041 0.000 1.216 51 G CA 1.044 46.135 45.100 -0.016 0.000 0.786 51 G HN 0.375 nan 8.290 nan 0.000 0.583 52 L N 0.836 122.007 121.223 -0.086 0.000 2.051 52 L HA -0.240 4.100 4.340 0.001 0.000 0.214 52 L C 3.453 180.288 176.870 -0.058 0.000 1.076 52 L CA 1.392 56.169 54.840 -0.105 0.000 0.758 52 L CB -0.739 41.197 42.059 -0.204 0.000 0.890 52 L HN 0.362 nan 8.230 nan 0.000 0.433 53 A N -0.561 122.231 122.820 -0.048 0.000 1.851 53 A HA -0.316 4.004 4.320 0.001 0.000 0.216 53 A C 2.538 180.107 177.584 -0.023 0.000 1.195 53 A CA 2.029 54.050 52.037 -0.027 0.000 0.622 53 A CB -1.418 17.567 19.000 -0.024 0.000 0.831 53 A HN 0.603 nan 8.150 nan 0.000 0.444 54 C N -0.690 118.595 119.300 -0.025 0.000 2.398 54 C HA -0.005 4.455 4.460 0.001 0.000 0.276 54 C C 3.149 178.140 174.990 0.001 0.000 1.222 54 C CA 1.452 60.455 59.018 -0.025 0.000 1.746 54 C CB -1.498 26.228 27.740 -0.022 0.000 2.039 54 C HN 0.700 nan 8.230 nan 0.000 0.470 55 A N 0.843 123.663 122.820 -0.000 0.000 1.841 55 A HA -0.225 4.096 4.320 0.001 0.000 0.216 55 A C 2.190 179.777 177.584 0.005 0.000 1.199 55 A CA 2.234 54.272 52.037 0.003 0.000 0.621 55 A CB -0.795 18.185 19.000 -0.033 0.000 0.835 55 A HN 0.769 nan 8.150 nan 0.000 0.445 56 K N -0.739 119.656 120.400 -0.009 0.000 2.103 56 K HA -0.189 4.132 4.320 0.001 0.000 0.207 56 K C 2.071 178.677 176.600 0.011 0.000 1.048 56 K CA 1.609 57.894 56.287 -0.003 0.000 0.930 56 K CB -0.114 32.384 32.500 -0.003 0.000 0.716 56 K HN 0.566 nan 8.250 nan 0.000 0.444 57 E N 1.176 121.382 120.200 0.010 0.000 2.152 57 E HA -0.075 4.276 4.350 0.001 0.000 0.192 57 E C 1.745 178.373 176.600 0.047 0.000 0.983 57 E CA 1.148 57.556 56.400 0.012 0.000 0.818 57 E CB -0.051 29.641 29.700 -0.012 0.000 0.758 57 E HN 0.282 nan 8.360 nan 0.000 0.467 58 A N 0.423 123.292 122.820 0.081 0.000 2.014 58 A HA 0.140 4.461 4.320 0.001 0.000 0.218 58 A C 2.326 180.020 177.584 0.184 0.000 1.163 58 A CA 1.459 53.629 52.037 0.221 0.000 0.652 58 A CB -0.608 18.585 19.000 0.322 0.000 0.808 58 A HN 0.366 nan 8.150 nan 0.000 0.449 59 A N -0.775 122.097 122.820 0.086 0.000 1.930 59 A HA -0.064 4.257 4.320 0.001 0.000 0.215 59 A C 2.079 179.686 177.584 0.038 0.000 1.176 59 A CA 1.720 53.782 52.037 0.042 0.000 0.632 59 A CB -0.412 18.597 19.000 0.015 0.000 0.819 59 A HN 0.490 nan 8.150 nan 0.000 0.445 60 Q N -0.292 119.531 119.800 0.039 0.000 2.291 60 Q HA -0.046 4.294 4.340 0.001 0.000 0.206 60 Q C 1.294 177.318 176.000 0.040 0.000 0.976 60 Q CA 1.073 56.893 55.803 0.029 0.000 0.875 60 Q CB -0.310 28.440 28.738 0.020 0.000 0.927 60 Q HN 0.439 nan 8.270 nan 0.000 0.450 61 L N -0.682 120.583 121.223 0.071 0.000 2.627 61 L HA 0.223 4.564 4.340 0.001 0.000 0.233 61 L C 1.004 177.910 176.870 0.061 0.000 1.144 61 L CA 1.268 56.163 54.840 0.090 0.000 0.892 61 L CB -1.009 41.161 42.059 0.185 0.000 1.039 61 L HN 0.556 nan 8.230 nan 0.000 0.442 62 G N 0.265 109.084 108.800 0.033 0.000 2.137 62 G HA2 -0.228 3.732 3.960 0.001 0.000 0.237 62 G HA3 -0.228 3.732 3.960 0.001 0.000 0.237 62 G C 0.279 175.159 174.900 -0.034 0.000 1.002 62 G CA -0.030 45.072 45.100 0.004 0.000 0.702 62 G HN 0.219 nan 8.290 nan 0.000 0.515 63 K N 0.081 120.443 120.400 -0.063 0.000 2.118 63 K HA 0.408 4.729 4.320 0.001 0.000 0.254 63 K C 0.417 176.976 176.600 -0.068 0.000 0.961 63 K CA -1.078 55.111 56.287 -0.164 0.000 0.876 63 K CB 1.437 33.645 32.500 -0.487 0.000 1.077 63 K HN 0.234 nan 8.250 nan 0.000 0.440 64 K N 2.443 122.825 120.400 -0.030 0.000 2.054 64 K HA 0.094 4.414 4.320 0.001 0.000 0.242 64 K C -0.544 176.126 176.600 0.118 0.000 1.157 64 K CA -0.120 56.230 56.287 0.106 0.000 1.079 64 K CB -0.296 32.311 32.500 0.178 0.000 1.331 64 K HN 0.221 nan 8.250 nan 0.000 0.317 65 V N 2.212 122.133 119.914 0.012 0.000 2.743 65 V HA 0.648 4.768 4.120 0.001 0.000 0.301 65 V C 0.047 175.954 176.094 -0.312 0.000 1.057 65 V CA -0.671 61.586 62.300 -0.072 0.000 1.006 65 V CB 1.360 33.166 31.823 -0.029 0.000 1.024 65 V HN 0.773 nan 8.190 nan 0.000 0.473 66 A N 3.195 125.779 122.820 -0.392 0.000 2.540 66 A HA 0.754 5.075 4.320 0.001 0.000 0.297 66 A C -1.392 176.042 177.584 -0.251 0.000 1.056 66 A CA -0.462 51.212 52.037 -0.606 0.000 0.700 66 A CB 1.951 20.079 19.000 -1.452 0.000 1.280 66 A HN 0.935 nan 8.150 nan 0.000 0.398 67 V N 1.283 121.083 119.914 -0.189 0.000 2.735 67 V HA 0.887 5.007 4.120 0.001 0.000 0.310 67 V C -0.296 175.850 176.094 0.086 0.000 1.061 67 V CA 0.093 62.376 62.300 -0.028 0.000 0.913 67 V CB 1.861 33.661 31.823 -0.039 0.000 1.005 67 V HN 1.988 nan 8.190 nan 0.000 0.428 68 A N 4.294 127.195 122.820 0.135 0.000 2.311 68 A HA 0.763 5.083 4.320 0.001 0.000 0.306 68 A C -1.086 176.603 177.584 0.176 0.000 1.189 68 A CA -0.462 51.688 52.037 0.189 0.000 0.791 68 A CB 1.194 20.294 19.000 0.166 0.000 1.172 68 A HN 0.933 nan 8.150 nan 0.000 0.481 69 D N 0.739 121.297 120.400 0.262 0.000 2.646 69 D HA 0.534 5.175 4.640 0.001 0.000 0.245 69 D C -1.710 174.739 176.300 0.249 0.000 1.099 69 D CA -0.138 53.992 54.000 0.215 0.000 0.849 69 D CB 1.090 41.992 40.800 0.170 0.000 1.448 69 D HN 0.365 nan 8.370 nan 0.000 0.489 70 Y N 3.882 124.205 120.300 0.039 0.000 2.322 70 Y HA 0.364 4.914 4.550 0.001 0.000 0.324 70 Y C -1.028 174.834 175.900 -0.063 0.000 1.027 70 Y CA -0.966 57.126 58.100 -0.013 0.000 1.179 70 Y CB 1.649 40.094 38.460 -0.026 0.000 1.136 70 Y HN 0.248 nan 8.280 nan 0.000 0.449 71 V N 5.959 125.446 119.914 -0.711 0.000 2.055 71 V HA 0.031 4.151 4.120 0.001 0.000 0.248 71 V C 0.240 175.805 176.094 -0.882 0.000 1.476 71 V CA -0.281 61.575 62.300 -0.739 0.000 1.417 71 V CB -0.818 30.469 31.823 -0.892 0.000 1.465 71 V HN 0.719 nan 8.190 nan 0.000 0.502 72 E N 5.847 125.706 120.200 -0.569 0.000 2.498 72 E HA 0.066 4.417 4.350 0.001 0.000 0.252 72 E C -2.215 174.189 176.600 -0.327 0.000 1.025 72 E CA -0.991 55.240 56.400 -0.281 0.000 0.938 72 E CB 0.340 30.052 29.700 0.020 0.000 0.947 72 E HN 0.397 nan 8.360 nan 0.000 0.478 73 P HA -0.067 nan 4.420 nan 0.000 0.269 73 P C -0.883 176.339 177.300 -0.129 0.000 1.205 73 P CA 0.090 63.020 63.100 -0.284 0.000 0.780 73 P CB 0.481 32.074 31.700 -0.178 0.000 0.858 74 S N 1.410 117.081 115.700 -0.049 0.000 2.601 74 S HA 0.260 4.731 4.470 0.001 0.000 0.271 74 S C -1.754 172.900 174.600 0.090 0.000 1.305 74 S CA -1.008 57.258 58.200 0.109 0.000 1.022 74 S CB 0.373 63.722 63.200 0.249 0.000 0.940 74 S HN 0.242 nan 8.310 nan 0.000 0.525 75 P HA -0.122 nan 4.420 nan 0.000 0.218 75 P C 0.943 178.286 177.300 0.072 0.000 1.147 75 P CA 1.092 64.208 63.100 0.028 0.000 0.827 75 P CB 0.095 31.749 31.700 -0.077 0.000 0.778 76 R N -1.543 119.043 120.500 0.144 0.000 2.391 76 R HA 0.267 4.607 4.340 0.001 0.000 0.249 76 R C 0.900 177.266 176.300 0.109 0.000 0.957 76 R CA 0.546 56.731 56.100 0.141 0.000 1.093 76 R CB -0.880 29.536 30.300 0.193 0.000 1.156 76 R HN 0.162 nan 8.270 nan 0.000 0.526 77 G N 1.799 110.642 108.800 0.071 0.000 2.324 77 G HA2 -0.243 3.718 3.960 0.001 0.000 0.292 77 G HA3 -0.243 3.718 3.960 0.001 0.000 0.292 77 G C -0.241 174.678 174.900 0.033 0.000 1.079 77 G CA 0.465 45.585 45.100 0.034 0.000 1.026 77 G HN 0.218 nan 8.290 nan 0.000 0.506 78 T N 0.343 114.920 114.554 0.038 0.000 2.807 78 T HA 0.655 5.005 4.350 0.001 0.000 0.279 78 T C 0.209 174.807 174.700 -0.170 0.000 0.993 78 T CA -0.199 61.928 62.100 0.045 0.000 0.970 78 T CB 1.692 70.710 68.868 0.251 0.000 0.950 78 T HN 0.823 nan 8.240 nan 0.000 0.441 79 K N 1.238 121.464 120.400 -0.290 0.000 2.443 79 K HA 0.853 5.173 4.320 0.001 0.000 0.251 79 K C -1.421 174.858 176.600 -0.534 0.000 0.972 79 K CA -1.214 54.710 56.287 -0.606 0.000 0.833 79 K CB 2.163 34.388 32.500 -0.460 0.000 1.317 79 K HN 0.657 nan 8.250 nan 0.000 0.441 80 W N -0.422 120.618 121.300 -0.434 0.000 3.039 80 W HA 0.711 5.372 4.660 0.001 0.000 0.354 80 W C -0.445 175.871 176.519 -0.337 0.000 1.206 80 W CA -1.231 55.800 57.345 -0.523 0.000 1.134 80 W CB 0.045 29.203 29.460 -0.503 0.000 1.493 80 W HN 0.771 nan 8.180 nan 0.000 0.591 81 G N 0.442 109.231 108.800 -0.019 0.000 2.525 81 G HA2 0.444 4.405 3.960 0.001 0.000 0.287 81 G HA3 0.444 4.405 3.960 0.001 0.000 0.287 81 G C -1.022 173.864 174.900 -0.024 0.000 1.350 81 G CA -1.003 44.011 45.100 -0.143 0.000 1.039 81 G HN 0.820 nan 8.290 nan 0.000 0.513 82 L N -0.170 120.966 121.223 -0.144 0.000 2.483 82 L HA 0.453 4.794 4.340 0.001 0.000 0.276 82 L C 1.236 178.047 176.870 -0.098 0.000 1.213 82 L CA 1.813 56.569 54.840 -0.140 0.000 0.843 82 L CB 0.827 42.697 42.059 -0.314 0.000 1.107 82 L HN 1.314 nan 8.230 nan 0.000 0.487 83 G N 1.773 110.497 108.800 -0.127 0.000 2.200 83 G HA2 0.286 4.246 3.960 0.001 0.000 0.145 83 G HA3 0.286 4.246 3.960 0.001 0.000 0.145 83 G C 0.672 175.507 174.900 -0.108 0.000 1.021 83 G CA -0.019 44.970 45.100 -0.185 0.000 0.720 83 G HN 1.720 nan 8.290 nan 0.000 0.494 84 G N -0.618 108.174 108.800 -0.015 0.000 2.791 84 G HA2 -0.039 3.921 3.960 0.001 0.000 0.256 84 G HA3 -0.039 3.921 3.960 0.001 0.000 0.256 84 G C 1.154 176.046 174.900 -0.014 0.000 1.380 84 G CA 0.665 45.786 45.100 0.035 0.000 0.904 84 G HN 1.220 nan 8.290 nan 0.000 0.563 85 T N -0.461 114.090 114.554 -0.004 0.000 2.635 85 T HA -0.307 4.043 4.350 0.001 0.000 0.267 85 T C 2.545 177.161 174.700 -0.140 0.000 1.040 85 T CA 2.717 64.766 62.100 -0.084 0.000 1.156 85 T CB -0.842 68.022 68.868 -0.006 0.000 0.863 85 T HN 1.157 nan 8.240 nan 0.000 0.430 86 C N 1.380 120.625 119.300 -0.091 0.000 2.299 86 C HA -0.197 4.264 4.460 0.001 0.000 0.274 86 C C 2.739 177.646 174.990 -0.137 0.000 1.152 86 C CA 1.615 60.575 59.018 -0.097 0.000 1.787 86 C CB -1.306 26.396 27.740 -0.063 0.000 1.958 86 C HN 0.444 nan 8.230 nan 0.000 0.424 87 V N 1.999 121.852 119.914 -0.103 0.000 2.255 87 V HA -0.228 3.893 4.120 0.001 0.000 0.247 87 V C 2.356 178.361 176.094 -0.147 0.000 1.051 87 V CA 2.637 64.885 62.300 -0.086 0.000 1.018 87 V CB -0.850 30.968 31.823 -0.007 0.000 0.641 87 V HN 0.615 nan 8.190 nan 0.000 0.445 88 N N 0.340 118.919 118.700 -0.201 0.000 2.336 88 N HA -0.011 4.729 4.740 0.001 0.000 0.177 88 N C 0.930 176.243 175.510 -0.328 0.000 1.018 88 N CA 1.658 54.571 53.050 -0.228 0.000 0.878 88 N CB 0.618 38.780 38.487 -0.543 0.000 0.997 88 N HN 0.567 nan 8.380 nan 0.000 0.433 89 V N -2.721 116.923 119.914 -0.450 0.000 2.575 89 V HA 0.806 4.926 4.120 0.001 0.000 0.281 89 V C 0.282 176.327 176.094 -0.083 0.000 1.087 89 V CA -0.297 61.868 62.300 -0.225 0.000 1.193 89 V CB 0.586 32.253 31.823 -0.259 0.000 1.426 89 V HN 0.258 nan 8.190 nan 0.000 0.623 90 G N -0.392 108.177 108.800 -0.386 0.000 2.667 90 G HA2 0.061 4.021 3.960 0.001 0.000 0.081 90 G HA3 0.061 4.021 3.960 0.001 0.000 0.081 90 G C 0.678 175.433 174.900 -0.242 0.000 1.105 90 G CA 0.689 45.691 45.100 -0.164 0.000 1.326 90 G HN 0.308 nan 8.290 nan 0.000 0.603 91 C N 1.195 120.406 119.300 -0.148 0.000 2.288 91 C HA -0.219 4.241 4.460 0.001 0.000 0.260 91 C C 2.760 177.614 174.990 -0.226 0.000 1.094 91 C CA 1.514 60.444 59.018 -0.147 0.000 1.822 91 C CB -1.391 26.287 27.740 -0.104 0.000 2.004 91 C HN 0.457 nan 8.230 nan 0.000 0.420 92 I N 1.141 121.567 120.570 -0.240 0.000 2.162 92 I HA -0.043 4.128 4.170 0.001 0.000 0.238 92 I C -0.126 175.772 176.117 -0.365 0.000 1.076 92 I CA 1.614 62.765 61.300 -0.248 0.000 1.353 92 I CB -3.025 34.888 38.000 -0.145 0.000 1.063 92 I HN 0.211 nan 8.210 nan 0.000 0.408 93 P HA -0.193 nan 4.420 nan 0.000 0.214 93 P C 1.778 178.722 177.300 -0.594 0.000 1.163 93 P CA 1.674 64.326 63.100 -0.746 0.000 0.883 93 P CB -0.125 30.738 31.700 -1.394 0.000 0.788 94 K N 0.594 120.686 120.400 -0.514 0.000 1.990 94 K HA -0.321 4.000 4.320 0.001 0.000 0.225 94 K C 2.147 178.675 176.600 -0.120 0.000 1.053 94 K CA 2.563 58.835 56.287 -0.024 0.000 0.982 94 K CB -0.730 31.860 32.500 0.150 0.000 0.734 94 K HN -0.234 nan 8.250 nan 0.000 0.448 95 K N 0.854 121.127 120.400 -0.213 0.000 2.097 95 K HA -0.176 4.144 4.320 0.001 0.000 0.214 95 K C 2.171 178.652 176.600 -0.197 0.000 1.052 95 K CA 2.087 58.215 56.287 -0.265 0.000 0.932 95 K CB -0.537 31.702 32.500 -0.436 0.000 0.716 95 K HN 0.388 nan 8.250 nan 0.000 0.455 96 L N -0.370 120.684 121.223 -0.281 0.000 2.083 96 L HA -0.190 4.150 4.340 0.001 0.000 0.209 96 L C 2.572 179.259 176.870 -0.306 0.000 1.083 96 L CA 1.609 56.268 54.840 -0.301 0.000 0.752 96 L CB -0.301 41.545 42.059 -0.354 0.000 0.899 96 L HN 0.373 nan 8.230 nan 0.000 0.433 97 M N -1.668 117.693 119.600 -0.399 0.000 2.236 97 M HA -0.173 4.307 4.480 0.001 0.000 0.266 97 M C 2.296 178.388 176.300 -0.348 0.000 1.070 97 M CA 1.173 56.132 55.300 -0.569 0.000 1.137 97 M CB -0.573 31.318 32.600 -1.182 0.000 1.378 97 M HN 0.260 nan 8.290 nan 0.000 0.426 98 H N 0.618 119.552 119.070 -0.227 0.000 2.387 98 H HA -0.199 4.358 4.556 0.001 0.000 0.299 98 H C 1.984 177.314 175.328 0.002 0.000 1.090 98 H CA 2.211 58.299 56.048 0.067 0.000 1.332 98 H CB -0.074 29.758 29.762 0.117 0.000 1.386 98 H HN 0.263 nan 8.280 nan 0.000 0.516 99 Q N 0.632 120.302 119.800 -0.217 0.000 1.993 99 Q HA -0.065 4.275 4.340 0.001 0.000 0.202 99 Q C 2.538 178.421 176.000 -0.194 0.000 0.984 99 Q CA 2.263 57.916 55.803 -0.250 0.000 0.837 99 Q CB -1.040 27.579 28.738 -0.199 0.000 0.902 99 Q HN 0.530 nan 8.270 nan 0.000 0.423 100 A N 0.555 123.275 122.820 -0.165 0.000 1.948 100 A HA -0.172 4.148 4.320 0.001 0.000 0.220 100 A C 2.292 179.813 177.584 -0.104 0.000 1.177 100 A CA 2.380 54.348 52.037 -0.116 0.000 0.636 100 A CB -1.347 17.596 19.000 -0.095 0.000 0.815 100 A HN 0.574 nan 8.150 nan 0.000 0.449 101 A N -0.189 122.582 122.820 -0.082 0.000 1.845 101 A HA -0.091 4.230 4.320 0.001 0.000 0.215 101 A C 2.172 179.722 177.584 -0.057 0.000 1.195 101 A CA 1.558 53.578 52.037 -0.028 0.000 0.616 101 A CB -0.820 18.248 19.000 0.113 0.000 0.832 101 A HN 0.486 nan 8.150 nan 0.000 0.443 102 L N -0.443 120.708 121.223 -0.119 0.000 2.021 102 L HA -0.256 4.084 4.340 0.001 0.000 0.215 102 L C 2.539 179.369 176.870 -0.067 0.000 1.074 102 L CA 1.132 55.910 54.840 -0.104 0.000 0.760 102 L CB -0.667 41.281 42.059 -0.185 0.000 0.889 102 L HN 0.345 nan 8.230 nan 0.000 0.433 103 L N -0.152 121.020 121.223 -0.084 0.000 2.089 103 L HA -0.223 4.117 4.340 0.001 0.000 0.213 103 L C 2.676 179.520 176.870 -0.044 0.000 1.079 103 L CA 2.242 57.041 54.840 -0.068 0.000 0.758 103 L CB -2.199 39.816 42.059 -0.073 0.000 0.891 103 L HN 0.379 nan 8.230 nan 0.000 0.433 104 G N -0.403 108.373 108.800 -0.039 0.000 2.446 104 G HA2 -0.236 3.724 3.960 0.001 0.000 0.217 104 G HA3 -0.236 3.724 3.960 0.001 0.000 0.217 104 G C 1.588 176.489 174.900 0.003 0.000 1.168 104 G CA 0.856 45.944 45.100 -0.020 0.000 0.771 104 G HN 0.500 nan 8.290 nan 0.000 0.551 105 G N 0.109 108.914 108.800 0.007 0.000 2.471 105 G HA2 -0.098 3.862 3.960 0.001 0.000 0.219 105 G HA3 -0.098 3.862 3.960 0.001 0.000 0.219 105 G C 1.798 176.715 174.900 0.027 0.000 1.125 105 G CA 0.858 45.973 45.100 0.025 0.000 0.775 105 G HN 0.267 nan 8.290 nan 0.000 0.548 106 M N 0.402 120.004 119.600 0.003 0.000 2.159 106 M HA 0.050 4.531 4.480 0.001 0.000 0.263 106 M C 2.544 178.849 176.300 0.008 0.000 1.063 106 M CA 0.984 56.279 55.300 -0.008 0.000 1.110 106 M CB -0.835 31.733 32.600 -0.053 0.000 1.374 106 M HN 0.270 nan 8.290 nan 0.000 0.411 107 I N -0.567 120.008 120.570 0.008 0.000 2.202 107 I HA -0.273 3.897 4.170 0.001 0.000 0.242 107 I C 2.574 178.746 176.117 0.092 0.000 1.091 107 I CA 0.937 62.253 61.300 0.027 0.000 1.368 107 I CB -0.451 37.558 38.000 0.015 0.000 1.058 107 I HN 0.273 nan 8.210 nan 0.000 0.410 108 R N 1.149 121.705 120.500 0.092 0.000 2.127 108 R HA -0.195 4.145 4.340 0.001 0.000 0.228 108 R C 2.012 178.454 176.300 0.237 0.000 1.125 108 R CA 2.072 58.250 56.100 0.131 0.000 0.904 108 R CB -0.900 29.464 30.300 0.107 0.000 0.831 108 R HN 0.289 nan 8.270 nan 0.000 0.431 109 D N 0.773 121.319 120.400 0.243 0.000 2.192 109 D HA -0.265 4.376 4.640 0.001 0.000 0.189 109 D C 1.859 178.437 176.300 0.462 0.000 1.007 109 D CA 1.897 56.117 54.000 0.368 0.000 0.859 109 D CB -0.644 40.304 40.800 0.247 0.000 0.936 109 D HN 0.371 nan 8.370 nan 0.000 0.447 110 A N 0.610 123.616 122.820 0.311 0.000 1.929 110 A HA -0.357 3.963 4.320 0.001 0.000 0.221 110 A C 2.054 179.908 177.584 0.450 0.000 1.211 110 A CA 2.720 54.965 52.037 0.346 0.000 0.657 110 A CB -1.315 17.767 19.000 0.138 0.000 0.827 110 A HN 0.534 nan 8.150 nan 0.000 0.462 111 H N -0.758 118.436 119.070 0.206 0.000 2.319 111 H HA -0.215 4.341 4.556 0.001 0.000 0.297 111 H C 1.942 177.263 175.328 -0.012 0.000 1.097 111 H CA 2.368 58.449 56.048 0.056 0.000 1.285 111 H CB -0.416 29.276 29.762 -0.117 0.000 1.368 111 H HN 0.690 nan 8.280 nan 0.000 0.495 112 H N -1.198 117.829 119.070 -0.071 0.000 2.421 112 H HA -0.138 4.419 4.556 0.001 0.000 0.298 112 H C 1.029 176.237 175.328 -0.200 0.000 1.087 112 H CA 1.435 57.349 56.048 -0.223 0.000 1.330 112 H CB -0.284 29.397 29.762 -0.136 0.000 1.388 112 H HN 0.530 nan 8.280 nan 0.000 0.526 113 Y N 0.176 120.540 120.300 0.107 0.000 2.465 113 Y HA 0.177 4.727 4.550 0.001 0.000 0.311 113 Y C 1.681 177.520 175.900 -0.101 0.000 1.204 113 Y CA 0.458 58.606 58.100 0.080 0.000 1.272 113 Y CB 0.261 38.861 38.460 0.234 0.000 1.083 113 Y HN 0.342 nan 8.280 nan 0.000 0.508 114 G N -1.691 107.068 108.800 -0.068 0.000 2.175 114 G HA2 -0.280 3.681 3.960 0.001 0.000 0.244 114 G HA3 -0.280 3.681 3.960 0.001 0.000 0.244 114 G C -0.287 174.439 174.900 -0.289 0.000 0.982 114 G CA -0.517 44.447 45.100 -0.228 0.000 0.641 114 G HN 0.365 nan 8.290 nan 0.000 0.527 115 W N 2.033 123.358 121.300 0.042 0.000 2.367 115 W HA 0.578 5.238 4.660 0.001 0.000 0.329 115 W C 0.789 177.351 176.519 0.072 0.000 1.066 115 W CA -0.741 56.637 57.345 0.054 0.000 1.435 115 W CB 0.519 30.018 29.460 0.065 0.000 1.296 115 W HN 0.206 nan 8.180 nan 0.000 0.401 116 E N 2.622 122.960 120.200 0.230 0.000 2.975 116 E HA -0.012 4.339 4.350 0.001 0.000 0.301 116 E C 0.568 177.277 176.600 0.182 0.000 1.554 116 E CA -0.281 56.231 56.400 0.186 0.000 1.716 116 E CB -0.059 29.703 29.700 0.104 0.000 1.365 116 E HN 0.289 nan 8.360 nan 0.000 0.469 117 V N 1.042 121.084 119.914 0.214 0.000 2.740 117 V HA 0.204 4.325 4.120 0.001 0.000 0.303 117 V C 0.092 176.237 176.094 0.085 0.000 1.054 117 V CA -0.241 62.142 62.300 0.139 0.000 1.106 117 V CB 0.795 32.690 31.823 0.121 0.000 0.957 117 V HN 0.371 nan 8.190 nan 0.000 0.486 118 A N 6.059 128.913 122.820 0.055 0.000 2.269 118 A HA 0.642 4.962 4.320 0.001 0.000 0.302 118 A C -0.108 177.484 177.584 0.014 0.000 1.266 118 A CA -0.457 51.597 52.037 0.027 0.000 0.894 118 A CB 0.289 19.304 19.000 0.026 0.000 1.147 118 A HN 0.969 nan 8.150 nan 0.000 0.537 119 Q N 1.738 121.534 119.800 -0.008 0.000 2.240 119 Q HA 0.600 4.940 4.340 0.001 0.000 0.260 119 Q C -2.180 173.812 176.000 -0.014 0.000 1.018 119 Q CA -1.512 54.284 55.803 -0.012 0.000 0.898 119 Q CB 1.002 29.720 28.738 -0.033 0.000 1.301 119 Q HN 0.717 nan 8.270 nan 0.000 0.469 120 P HA 0.193 nan 4.420 nan 0.000 0.293 120 P C -1.043 176.267 177.300 0.018 0.000 1.313 120 P CA -0.328 62.774 63.100 0.004 0.000 0.787 120 P CB 0.756 32.459 31.700 0.005 0.000 0.910 121 V N 3.824 123.752 119.914 0.024 0.000 2.585 121 V HA -0.005 4.116 4.120 0.001 0.000 0.296 121 V C 1.290 177.417 176.094 0.055 0.000 1.035 121 V CA 0.078 62.399 62.300 0.035 0.000 1.084 121 V CB 0.360 32.203 31.823 0.033 0.000 0.953 121 V HN 0.642 nan 8.190 nan 0.000 0.483 122 Q N 2.764 122.600 119.800 0.060 0.000 2.397 122 Q HA 0.321 4.662 4.340 0.001 0.000 0.193 122 Q C -0.338 175.751 176.000 0.149 0.000 1.083 122 Q CA -0.378 55.478 55.803 0.088 0.000 1.108 122 Q CB 0.744 29.519 28.738 0.062 0.000 1.172 122 Q HN 0.840 nan 8.270 nan 0.000 0.617 123 H N 0.942 120.035 119.070 0.039 0.000 3.184 123 H HA 0.161 4.718 4.556 0.001 0.000 0.317 123 H C -1.992 173.380 175.328 0.073 0.000 1.065 123 H CA -0.656 55.418 56.048 0.043 0.000 1.462 123 H CB 0.507 30.298 29.762 0.049 0.000 2.037 123 H HN 0.784 nan 8.280 nan 0.000 0.431 124 N N 4.477 122.929 118.700 -0.414 0.000 2.421 124 N HA 0.045 4.786 4.740 0.001 0.000 0.285 124 N C 1.007 176.332 175.510 -0.307 0.000 1.027 124 N CA -0.868 52.044 53.050 -0.229 0.000 0.918 124 N CB 1.027 39.469 38.487 -0.075 0.000 1.152 124 N HN 0.672 nan 8.380 nan 0.000 0.485 125 W N 3.556 124.742 121.300 -0.189 0.000 2.364 125 W HA -0.168 4.492 4.660 0.001 0.000 0.281 125 W C 0.472 176.949 176.519 -0.069 0.000 1.219 125 W CA 1.201 58.508 57.345 -0.064 0.000 1.220 125 W CB 0.165 29.649 29.460 0.040 0.000 1.127 125 W HN 0.669 nan 8.180 nan 0.000 0.556 126 K N -0.433 119.998 120.400 0.053 0.000 2.001 126 K HA -0.140 4.181 4.320 0.001 0.000 0.208 126 K C 2.023 178.540 176.600 -0.138 0.000 1.048 126 K CA 2.182 58.462 56.287 -0.013 0.000 0.932 126 K CB -0.843 31.686 32.500 0.049 0.000 0.715 126 K HN -0.070 nan 8.250 nan 0.000 0.437 127 T N 2.084 116.548 114.554 -0.151 0.000 2.684 127 T HA -0.195 4.155 4.350 0.001 0.000 0.267 127 T C 1.752 176.322 174.700 -0.218 0.000 1.036 127 T CA 1.500 63.504 62.100 -0.160 0.000 1.148 127 T CB -0.135 68.642 68.868 -0.151 0.000 0.863 127 T HN 0.253 nan 8.240 nan 0.000 0.436 128 M N 0.961 120.375 119.600 -0.310 0.000 2.066 128 M HA -0.125 4.355 4.480 0.001 0.000 0.259 128 M C 2.592 178.648 176.300 -0.406 0.000 1.074 128 M CA 2.131 57.232 55.300 -0.332 0.000 1.114 128 M CB -0.536 31.866 32.600 -0.330 0.000 1.306 128 M HN 0.295 nan 8.290 nan 0.000 0.411 129 A N 0.755 123.212 122.820 -0.606 0.000 1.896 129 A HA -0.262 4.059 4.320 0.001 0.000 0.220 129 A C 1.851 179.257 177.584 -0.298 0.000 1.206 129 A CA 2.267 53.969 52.037 -0.559 0.000 0.647 129 A CB -1.150 17.477 19.000 -0.621 0.000 0.828 129 A HN 0.692 nan 8.150 nan 0.000 0.455 130 E N -0.340 119.744 120.200 -0.194 0.000 2.035 130 E HA -0.261 4.089 4.350 0.001 0.000 0.204 130 E C 2.447 178.990 176.600 -0.095 0.000 1.025 130 E CA 1.432 57.779 56.400 -0.089 0.000 0.835 130 E CB -1.076 28.589 29.700 -0.058 0.000 0.764 130 E HN 0.591 nan 8.360 nan 0.000 0.457 131 A N 1.346 124.092 122.820 -0.123 0.000 1.881 131 A HA -0.270 4.050 4.320 0.001 0.000 0.219 131 A C 2.707 180.219 177.584 -0.119 0.000 1.215 131 A CA 2.756 54.727 52.037 -0.111 0.000 0.648 131 A CB -1.191 17.726 19.000 -0.140 0.000 0.832 131 A HN 0.150 nan 8.150 nan 0.000 0.455 132 V N -0.195 119.595 119.914 -0.206 0.000 2.219 132 V HA -0.412 3.709 4.120 0.001 0.000 0.248 132 V C 2.690 178.674 176.094 -0.184 0.000 1.053 132 V CA 2.621 64.773 62.300 -0.247 0.000 1.009 132 V CB -1.263 30.331 31.823 -0.381 0.000 0.636 132 V HN 0.723 nan 8.190 nan 0.000 0.445 133 Q N 0.096 119.753 119.800 -0.237 0.000 2.112 133 Q HA -0.241 4.100 4.340 0.001 0.000 0.206 133 Q C 2.145 178.196 176.000 0.086 0.000 0.987 133 Q CA 1.789 57.504 55.803 -0.146 0.000 0.858 133 Q CB -0.411 28.296 28.738 -0.052 0.000 0.905 133 Q HN 0.602 nan 8.270 nan 0.000 0.420 134 N N -0.224 118.520 118.700 0.073 0.000 2.430 134 N HA -0.171 4.570 4.740 0.001 0.000 0.186 134 N C 1.411 176.987 175.510 0.111 0.000 1.032 134 N CA 1.230 54.346 53.050 0.111 0.000 0.893 134 N CB -0.124 38.404 38.487 0.067 0.000 0.957 134 N HN 0.415 nan 8.380 nan 0.000 0.442 135 H N -0.171 118.889 119.070 -0.017 0.000 2.399 135 H HA 0.170 4.727 4.556 0.001 0.000 0.300 135 H C 1.889 177.205 175.328 -0.020 0.000 1.048 135 H CA 0.644 56.670 56.048 -0.036 0.000 1.370 135 H CB -0.022 29.682 29.762 -0.097 0.000 1.428 135 H HN -0.162 nan 8.280 nan 0.000 0.534 136 V N 1.278 121.208 119.914 0.027 0.000 2.282 136 V HA -0.309 3.812 4.120 0.001 0.000 0.249 136 V C 2.177 178.276 176.094 0.008 0.000 1.057 136 V CA 2.373 64.681 62.300 0.014 0.000 1.032 136 V CB -0.444 31.453 31.823 0.124 0.000 0.645 136 V HN 0.416 nan 8.190 nan 0.000 0.447 137 K N -0.122 120.341 120.400 0.105 0.000 2.147 137 K HA -0.148 4.172 4.320 0.001 0.000 0.205 137 K C 2.375 179.041 176.600 0.109 0.000 1.049 137 K CA 1.484 57.845 56.287 0.125 0.000 0.936 137 K CB -0.355 32.370 32.500 0.375 0.000 0.722 137 K HN 0.401 nan 8.250 nan 0.000 0.446 138 S N 0.463 116.161 115.700 -0.004 0.000 2.474 138 S HA -0.005 4.465 4.470 0.001 0.000 0.235 138 S C 1.437 175.938 174.600 -0.165 0.000 0.997 138 S CA 0.737 58.895 58.200 -0.070 0.000 0.949 138 S CB 0.024 63.104 63.200 -0.199 0.000 0.766 138 S HN 0.218 nan 8.310 nan 0.000 0.517 139 L N 0.386 121.478 121.223 -0.217 0.000 2.664 139 L HA 0.262 4.603 4.340 0.001 0.000 0.233 139 L C 1.933 178.720 176.870 -0.138 0.000 1.113 139 L CA -0.141 54.557 54.840 -0.237 0.000 0.896 139 L CB -0.229 41.697 42.059 -0.221 0.000 1.163 139 L HN 0.183 nan 8.230 nan 0.000 0.497 140 N N 0.269 118.875 118.700 -0.158 0.000 2.124 140 N HA -0.099 4.642 4.740 0.001 0.000 0.189 140 N C 0.980 176.275 175.510 -0.360 0.000 1.050 140 N CA 1.101 53.957 53.050 -0.324 0.000 0.848 140 N CB -0.034 38.065 38.487 -0.648 0.000 1.027 140 N HN 0.261 nan 8.380 nan 0.000 0.435 141 W N 1.469 122.755 121.300 -0.023 0.000 3.441 141 W HA 0.249 4.909 4.660 0.001 0.000 0.361 141 W C 1.213 177.690 176.519 -0.070 0.000 1.184 141 W CA -0.043 57.282 57.345 -0.033 0.000 1.746 141 W CB -0.760 28.688 29.460 -0.020 0.000 0.961 141 W HN 0.191 nan 8.180 nan 0.000 0.787 142 G N -1.487 107.297 108.800 -0.026 0.000 2.826 142 G HA2 -0.090 3.870 3.960 0.001 0.000 0.197 142 G HA3 -0.090 3.870 3.960 0.001 0.000 0.197 142 G C 1.196 175.984 174.900 -0.186 0.000 1.072 142 G CA 0.093 45.120 45.100 -0.122 0.000 0.733 142 G HN 0.175 nan 8.290 nan 0.000 0.674 143 H N 0.438 119.443 119.070 -0.108 0.000 2.403 143 H HA 0.086 4.643 4.556 0.001 0.000 0.298 143 H C 2.708 177.949 175.328 -0.145 0.000 1.059 143 H CA 1.213 57.183 56.048 -0.131 0.000 1.363 143 H CB 0.295 29.956 29.762 -0.169 0.000 1.410 143 H HN 0.178 nan 8.280 nan 0.000 0.528 144 R N 0.997 121.472 120.500 -0.042 0.000 2.091 144 R HA -0.105 4.235 4.340 0.001 0.000 0.238 144 R C 2.320 178.615 176.300 -0.009 0.000 1.136 144 R CA 1.220 57.277 56.100 -0.071 0.000 0.959 144 R CB -0.770 29.516 30.300 -0.022 0.000 0.856 144 R HN 0.060 nan 8.270 nan 0.000 0.437 145 V N 0.874 120.797 119.914 0.014 0.000 2.295 145 V HA -0.278 3.843 4.120 0.001 0.000 0.246 145 V C 2.190 178.280 176.094 -0.007 0.000 1.049 145 V CA 2.200 64.508 62.300 0.015 0.000 1.024 145 V CB -0.624 31.206 31.823 0.011 0.000 0.648 145 V HN 0.454 nan 8.190 nan 0.000 0.447 146 Q N -0.440 119.347 119.800 -0.022 0.000 2.291 146 Q HA -0.114 4.227 4.340 0.001 0.000 0.206 146 Q C 2.183 178.172 176.000 -0.018 0.000 0.976 146 Q CA 1.213 57.005 55.803 -0.019 0.000 0.875 146 Q CB -0.222 28.506 28.738 -0.017 0.000 0.927 146 Q HN 0.558 nan 8.270 nan 0.000 0.450 147 L N -0.014 121.190 121.223 -0.031 0.000 2.270 147 L HA -0.124 4.217 4.340 0.001 0.000 0.210 147 L C 2.306 179.156 176.870 -0.035 0.000 1.104 147 L CA 0.743 55.552 54.840 -0.052 0.000 0.804 147 L CB -0.056 41.940 42.059 -0.105 0.000 0.937 147 L HN 0.260 nan 8.230 nan 0.000 0.450 148 Q N -0.185 119.607 119.800 -0.014 0.000 2.008 148 Q HA -0.151 4.189 4.340 0.001 0.000 0.196 148 Q C 1.522 177.524 176.000 0.003 0.000 0.973 148 Q CA 1.230 57.034 55.803 0.002 0.000 0.826 148 Q CB 0.109 28.858 28.738 0.019 0.000 0.894 148 Q HN 0.408 nan 8.270 nan 0.000 0.439 149 D N 0.379 120.780 120.400 0.002 0.000 2.354 149 D HA -0.137 4.504 4.640 0.001 0.000 0.216 149 D C 0.828 177.129 176.300 0.001 0.000 0.970 149 D CA 1.009 55.011 54.000 0.002 0.000 0.905 149 D CB -0.042 40.757 40.800 -0.001 0.000 0.903 149 D HN 0.127 nan 8.370 nan 0.000 0.508 150 R N 0.429 120.927 120.500 -0.004 0.000 2.515 150 R HA 0.087 4.428 4.340 0.001 0.000 0.294 150 R C 0.312 176.611 176.300 -0.001 0.000 1.021 150 R CA -0.190 55.908 56.100 -0.003 0.000 1.081 150 R CB 0.236 30.531 30.300 -0.008 0.000 1.263 150 R HN -0.040 nan 8.270 nan 0.000 0.557 151 K N 0.499 120.902 120.400 0.005 0.000 3.071 151 K HA -0.156 4.165 4.320 0.001 0.000 0.265 151 K C -1.457 175.145 176.600 0.004 0.000 1.060 151 K CA 0.368 56.665 56.287 0.017 0.000 0.767 151 K CB -0.962 31.553 32.500 0.024 0.000 1.241 151 K HN 0.022 nan 8.250 nan 0.000 0.486 152 V N 1.707 121.603 119.914 -0.030 0.000 2.588 152 V HA 0.374 4.495 4.120 0.001 0.000 0.304 152 V C 0.047 176.055 176.094 -0.144 0.000 1.042 152 V CA -0.822 61.422 62.300 -0.094 0.000 0.877 152 V CB 1.796 33.559 31.823 -0.101 0.000 0.996 152 V HN 0.118 nan 8.190 nan 0.000 0.425 153 K N 2.995 123.228 120.400 -0.280 0.000 2.130 153 K HA 0.453 4.774 4.320 0.001 0.000 0.268 153 K C -1.305 174.870 176.600 -0.710 0.000 0.983 153 K CA -0.604 55.416 56.287 -0.445 0.000 0.893 153 K CB 2.148 34.418 32.500 -0.383 0.000 1.066 153 K HN 0.650 nan 8.250 nan 0.000 0.450 154 Y N 2.572 122.365 120.300 -0.844 0.000 2.364 154 Y HA 0.400 4.950 4.550 0.001 0.000 0.340 154 Y C -1.559 173.903 175.900 -0.729 0.000 0.975 154 Y CA -1.586 56.124 58.100 -0.650 0.000 1.089 154 Y CB 0.692 38.982 38.460 -0.284 0.000 1.192 154 Y HN 0.368 nan 8.280 nan 0.000 0.454 155 F N 5.307 125.166 119.950 -0.152 0.000 2.676 155 F HA 0.247 4.775 4.527 0.001 0.000 0.371 155 F C 0.276 175.888 175.800 -0.314 0.000 1.141 155 F CA -1.394 56.446 58.000 -0.267 0.000 1.133 155 F CB 0.611 39.568 39.000 -0.070 0.000 1.376 155 F HN 0.530 nan 8.300 nan 0.000 0.491 156 N N 5.514 123.937 118.700 -0.462 0.000 2.383 156 N HA 0.054 4.795 4.740 0.001 0.000 0.295 156 N C -0.817 174.711 175.510 0.029 0.000 1.281 156 N CA 0.484 53.417 53.050 -0.195 0.000 1.048 156 N CB -0.190 38.149 38.487 -0.246 0.000 1.455 156 N HN 0.664 nan 8.380 nan 0.000 0.488 157 I N -0.902 119.713 120.570 0.074 0.000 2.586 157 I HA 0.262 4.433 4.170 0.001 0.000 0.288 157 I C 0.006 176.072 176.117 -0.084 0.000 1.147 157 I CA -1.145 60.126 61.300 -0.049 0.000 1.047 157 I CB 1.607 39.577 38.000 -0.051 0.000 1.244 157 I HN -0.047 nan 8.210 nan 0.000 0.429 158 K N 5.082 125.258 120.400 -0.374 0.000 1.925 158 K HA 0.270 4.590 4.320 0.001 0.000 0.216 158 K C 0.609 177.128 176.600 -0.134 0.000 1.159 158 K CA 0.150 56.278 56.287 -0.264 0.000 1.219 158 K CB -0.159 32.018 32.500 -0.539 0.000 1.143 158 K HN 0.822 nan 8.250 nan 0.000 0.258 159 A N 2.370 125.153 122.820 -0.062 0.000 2.536 159 A HA 0.172 4.492 4.320 0.001 0.000 0.234 159 A C -0.176 177.347 177.584 -0.103 0.000 1.076 159 A CA 0.375 52.361 52.037 -0.085 0.000 0.769 159 A CB 0.209 19.156 19.000 -0.087 0.000 1.020 159 A HN 0.781 nan 8.150 nan 0.000 0.508 160 S N -0.538 115.085 115.700 -0.129 0.000 2.542 160 S HA 0.556 5.027 4.470 0.001 0.000 0.276 160 S C -0.930 173.626 174.600 -0.073 0.000 1.148 160 S CA -0.758 57.388 58.200 -0.090 0.000 0.886 160 S CB 0.353 63.537 63.200 -0.027 0.000 1.109 160 S HN 0.520 nan 8.310 nan 0.000 0.458 161 F N 1.694 121.658 119.950 0.023 0.000 2.495 161 F HA 0.407 4.935 4.527 0.001 0.000 0.365 161 F C 1.378 177.186 175.800 0.015 0.000 1.090 161 F CA -0.047 57.967 58.000 0.024 0.000 1.235 161 F CB 1.626 40.638 39.000 0.019 0.000 1.119 161 F HN 0.582 nan 8.300 nan 0.000 0.562 162 V N 1.729 121.812 119.914 0.282 0.000 3.455 162 V HA 0.199 4.319 4.120 0.001 0.000 0.250 162 V C -0.389 175.777 176.094 0.121 0.000 1.230 162 V CA 1.378 63.767 62.300 0.149 0.000 1.105 162 V CB -0.028 31.855 31.823 0.100 0.000 0.850 162 V HN 0.993 nan 8.190 nan 0.000 0.461 163 D N -2.461 118.034 120.400 0.158 0.000 3.250 163 D HA 0.058 4.699 4.640 0.001 0.000 0.360 163 D C 0.710 177.030 176.300 0.032 0.000 1.486 163 D CA 0.129 54.162 54.000 0.055 0.000 0.835 163 D CB 0.259 41.087 40.800 0.048 0.000 1.444 163 D HN -0.209 nan 8.370 nan 0.000 0.513 164 E N -1.324 118.857 120.200 -0.031 0.000 2.049 164 E HA -0.184 4.167 4.350 0.001 0.000 0.198 164 E C 0.932 177.526 176.600 -0.011 0.000 1.007 164 E CA 1.939 58.280 56.400 -0.098 0.000 0.809 164 E CB -0.117 29.484 29.700 -0.164 0.000 0.749 164 E HN 0.482 nan 8.360 nan 0.000 0.450 165 H N -1.577 117.599 119.070 0.178 0.000 2.674 165 H HA 0.280 4.836 4.556 0.001 0.000 0.274 165 H C -0.297 175.131 175.328 0.168 0.000 1.121 165 H CA 0.805 56.952 56.048 0.165 0.000 1.132 165 H CB 0.273 30.052 29.762 0.028 0.000 1.606 165 H HN 0.166 nan 8.280 nan 0.000 0.558 166 T N -1.666 113.060 114.554 0.287 0.000 2.896 166 T HA 0.674 5.025 4.350 0.001 0.000 0.297 166 T C -0.390 174.429 174.700 0.199 0.000 1.108 166 T CA -0.791 61.433 62.100 0.206 0.000 1.004 166 T CB 2.562 71.511 68.868 0.135 0.000 1.159 166 T HN -0.137 nan 8.240 nan 0.000 0.499 167 V N 0.802 120.774 119.914 0.098 0.000 3.007 167 V HA 0.625 4.746 4.120 0.001 0.000 0.311 167 V C -0.392 175.701 176.094 -0.001 0.000 1.120 167 V CA -1.212 61.097 62.300 0.016 0.000 0.980 167 V CB 2.358 34.124 31.823 -0.095 0.000 1.033 167 V HN 0.911 nan 8.190 nan 0.000 0.429 168 R N 1.077 121.565 120.500 -0.020 0.000 2.598 168 R HA 0.731 5.071 4.340 0.001 0.000 0.279 168 R C -0.013 176.251 176.300 -0.061 0.000 0.984 168 R CA -0.576 55.504 56.100 -0.033 0.000 0.999 168 R CB 1.808 32.094 30.300 -0.023 0.000 1.114 168 R HN 0.913 nan 8.270 nan 0.000 0.493 169 G N 1.427 110.183 108.800 -0.073 0.000 2.814 169 G HA2 0.381 4.342 3.960 0.001 0.000 0.300 169 G HA3 0.381 4.342 3.960 0.001 0.000 0.300 169 G C -0.191 174.635 174.900 -0.123 0.000 1.406 169 G CA -0.394 44.649 45.100 -0.095 0.000 1.041 169 G HN 0.294 nan 8.290 nan 0.000 0.532 170 V N 1.892 121.707 119.914 -0.165 0.000 3.432 170 V HA 0.277 4.398 4.120 0.001 0.000 0.304 170 V C 0.289 176.236 176.094 -0.245 0.000 1.107 170 V CA 0.015 62.197 62.300 -0.196 0.000 1.153 170 V CB 1.563 33.239 31.823 -0.244 0.000 1.072 170 V HN 0.723 nan 8.190 nan 0.000 0.485 171 D N -0.409 119.863 120.400 -0.212 0.000 2.583 171 D HA 0.285 4.925 4.640 0.001 0.000 0.248 171 D C 0.415 176.647 176.300 -0.115 0.000 1.209 171 D CA -0.701 53.198 54.000 -0.167 0.000 0.848 171 D CB 2.055 42.803 40.800 -0.087 0.000 1.431 171 D HN 0.394 nan 8.370 nan 0.000 0.436 172 K N 0.013 120.403 120.400 -0.015 0.000 2.281 172 K HA -0.043 4.277 4.320 0.001 0.000 0.203 172 K C 1.483 178.086 176.600 0.005 0.000 1.046 172 K CA 1.279 57.593 56.287 0.045 0.000 0.938 172 K CB 0.178 32.726 32.500 0.080 0.000 0.737 172 K HN 0.400 nan 8.250 nan 0.000 0.458 173 G N -0.353 108.437 108.800 -0.015 0.000 2.688 173 G HA2 0.199 4.160 3.960 0.001 0.000 0.214 173 G HA3 0.199 4.160 3.960 0.001 0.000 0.214 173 G C 0.922 175.802 174.900 -0.034 0.000 1.211 173 G CA 0.612 45.702 45.100 -0.018 0.000 0.853 173 G HN 0.381 nan 8.290 nan 0.000 0.591 174 G N -1.070 107.701 108.800 -0.049 0.000 3.732 174 G HA2 -0.052 3.908 3.960 0.001 0.000 0.220 174 G HA3 -0.052 3.908 3.960 0.001 0.000 0.220 174 G C 0.114 174.980 174.900 -0.057 0.000 0.903 174 G CA -0.329 44.737 45.100 -0.057 0.000 0.896 174 G HN 0.361 nan 8.290 nan 0.000 0.685 175 K N 1.693 122.061 120.400 -0.054 0.000 2.316 175 K HA 0.623 4.943 4.320 0.001 0.000 0.289 175 K C 0.888 177.447 176.600 -0.067 0.000 1.070 175 K CA 0.318 56.573 56.287 -0.053 0.000 0.928 175 K CB 1.400 33.873 32.500 -0.045 0.000 1.039 175 K HN 0.377 nan 8.250 nan 0.000 0.480 176 A N 2.852 125.633 122.820 -0.065 0.000 2.310 176 A HA 0.332 4.652 4.320 0.001 0.000 0.260 176 A C -0.092 177.443 177.584 -0.081 0.000 1.112 176 A CA 0.061 52.055 52.037 -0.072 0.000 0.804 176 A CB 0.529 19.495 19.000 -0.058 0.000 1.081 176 A HN 0.626 nan 8.150 nan 0.000 0.499 177 T N 0.657 115.157 114.554 -0.090 0.000 3.071 177 T HA 0.441 4.791 4.350 0.001 0.000 0.311 177 T C -0.666 173.973 174.700 -0.102 0.000 1.042 177 T CA -0.503 61.526 62.100 -0.119 0.000 1.028 177 T CB 0.862 69.618 68.868 -0.186 0.000 1.068 177 T HN 0.818 nan 8.240 nan 0.000 0.451 178 L N 2.410 123.576 121.223 -0.095 0.000 2.515 178 L HA 0.573 4.913 4.340 0.001 0.000 0.281 178 L C -0.654 176.175 176.870 -0.068 0.000 1.131 178 L CA 0.084 54.885 54.840 -0.065 0.000 0.905 178 L CB -0.723 41.301 42.059 -0.060 0.000 1.246 178 L HN 0.441 nan 8.230 nan 0.000 0.463 179 L N 3.592 124.803 121.223 -0.020 0.000 2.325 179 L HA 0.716 5.057 4.340 0.001 0.000 0.281 179 L C 0.176 177.105 176.870 0.098 0.000 1.004 179 L CA -0.271 54.596 54.840 0.045 0.000 0.823 179 L CB 1.827 43.927 42.059 0.069 0.000 1.236 179 L HN 0.791 nan 8.230 nan 0.000 0.415 180 S N 2.282 118.054 115.700 0.120 0.000 2.569 180 S HA 0.956 5.426 4.470 0.001 0.000 0.280 180 S C -1.275 173.417 174.600 0.153 0.000 1.111 180 S CA -0.228 58.048 58.200 0.128 0.000 0.887 180 S CB 2.103 65.338 63.200 0.058 0.000 1.095 180 S HN 0.784 nan 8.310 nan 0.000 0.476 181 A N 2.132 125.041 122.820 0.149 0.000 2.605 181 A HA 0.572 4.893 4.320 0.001 0.000 0.294 181 A C 0.151 177.752 177.584 0.028 0.000 1.062 181 A CA -0.391 51.728 52.037 0.136 0.000 0.682 181 A CB 1.051 20.204 19.000 0.255 0.000 1.278 181 A HN 0.869 nan 8.150 nan 0.000 0.410 182 E N -0.328 119.822 120.200 -0.083 0.000 2.208 182 E HA -0.059 4.292 4.350 0.001 0.000 0.193 182 E C -0.379 176.067 176.600 -0.257 0.000 0.988 182 E CA 0.931 57.129 56.400 -0.337 0.000 0.828 182 E CB 0.019 29.521 29.700 -0.331 0.000 0.763 182 E HN 0.725 nan 8.360 nan 0.000 0.478 183 H N -0.943 118.317 119.070 0.316 0.000 2.689 183 H HA 0.421 4.977 4.556 0.001 0.000 0.346 183 H C -0.959 174.626 175.328 0.427 0.000 1.037 183 H CA -0.502 55.826 56.048 0.467 0.000 1.234 183 H CB 1.575 31.627 29.762 0.484 0.000 1.572 183 H HN -0.054 nan 8.280 nan 0.000 0.524 184 I N 3.475 124.386 120.570 0.568 0.000 2.418 184 I HA 0.293 4.464 4.170 0.001 0.000 0.287 184 I C -0.611 175.750 176.117 0.407 0.000 1.008 184 I CA -0.985 60.574 61.300 0.432 0.000 1.104 184 I CB 1.790 40.051 38.000 0.434 0.000 1.264 184 I HN 0.268 nan 8.210 nan 0.000 0.438 185 V N 7.393 127.489 119.914 0.304 0.000 2.394 185 V HA 0.426 4.547 4.120 0.001 0.000 0.282 185 V C 0.102 176.307 176.094 0.185 0.000 1.031 185 V CA -0.462 61.989 62.300 0.251 0.000 0.881 185 V CB 1.765 33.685 31.823 0.161 0.000 0.982 185 V HN 0.455 nan 8.190 nan 0.000 0.451 186 I N 4.261 124.942 120.570 0.185 0.000 2.312 186 I HA 0.649 4.819 4.170 0.001 0.000 0.290 186 I C 0.408 176.589 176.117 0.106 0.000 1.008 186 I CA -0.260 61.123 61.300 0.138 0.000 1.226 186 I CB 1.457 39.559 38.000 0.171 0.000 1.371 186 I HN 0.653 nan 8.210 nan 0.000 0.468 187 A N 3.601 126.468 122.820 0.078 0.000 3.317 187 A HA 0.352 4.672 4.320 0.001 0.000 0.307 187 A C 0.758 178.376 177.584 0.057 0.000 1.003 187 A CA -0.401 51.673 52.037 0.062 0.000 0.882 187 A CB -0.219 18.808 19.000 0.046 0.000 1.136 187 A HN 0.758 nan 8.150 nan 0.000 0.488 188 T N -2.505 112.088 114.554 0.065 0.000 3.107 188 T HA 0.430 4.780 4.350 0.001 0.000 0.249 188 T C 1.399 176.145 174.700 0.076 0.000 1.096 188 T CA 0.971 63.112 62.100 0.069 0.000 1.012 188 T CB -0.241 68.668 68.868 0.068 0.000 0.977 188 T HN 1.959 nan 8.240 nan 0.000 0.527 189 G N 0.889 109.730 108.800 0.069 0.000 2.581 189 G HA2 0.164 4.124 3.960 0.001 0.000 0.291 189 G HA3 0.164 4.124 3.960 0.001 0.000 0.291 189 G C 0.201 175.149 174.900 0.081 0.000 1.277 189 G CA -0.082 45.060 45.100 0.071 0.000 0.959 189 G HN 1.315 nan 8.290 nan 0.000 0.554 190 G N -2.034 106.822 108.800 0.093 0.000 2.921 190 G HA2 0.764 4.724 3.960 0.001 0.000 0.291 190 G HA3 0.764 4.724 3.960 0.001 0.000 0.291 190 G C -1.286 173.692 174.900 0.130 0.000 1.370 190 G CA -0.351 44.810 45.100 0.101 0.000 0.847 190 G HN 0.749 nan 8.290 nan 0.000 0.532 191 R N -0.663 119.918 120.500 0.135 0.000 2.698 191 R HA 0.448 4.788 4.340 0.001 0.000 0.275 191 R C -2.922 173.478 176.300 0.166 0.000 1.001 191 R CA -2.156 54.047 56.100 0.171 0.000 0.896 191 R CB 1.463 31.870 30.300 0.178 0.000 1.218 191 R HN 0.247 nan 8.270 nan 0.000 0.462 192 P HA -0.044 nan 4.420 nan 0.000 0.256 192 P C -0.015 177.387 177.300 0.171 0.000 1.173 192 P CA 0.396 63.590 63.100 0.157 0.000 0.768 192 P CB 0.317 32.113 31.700 0.161 0.000 0.758 193 R N 3.730 124.301 120.500 0.119 0.000 2.694 193 R HA 0.180 4.520 4.340 0.001 0.000 0.268 193 R C -0.725 175.617 176.300 0.071 0.000 1.061 193 R CA 0.143 56.314 56.100 0.118 0.000 1.133 193 R CB 0.228 30.574 30.300 0.078 0.000 1.020 193 R HN 0.335 nan 8.270 nan 0.000 0.475 194 Y N 2.295 122.546 120.300 -0.082 0.000 2.587 194 Y HA 0.412 4.963 4.550 0.001 0.000 0.337 194 Y C -1.674 174.053 175.900 -0.288 0.000 1.065 194 Y CA -2.274 55.684 58.100 -0.238 0.000 1.126 194 Y CB 1.706 40.029 38.460 -0.229 0.000 1.279 194 Y HN 0.640 nan 8.280 nan 0.000 0.489 195 P HA 0.197 nan 4.420 nan 0.000 0.272 195 P C -0.111 177.099 177.300 -0.149 0.000 1.230 195 P CA 0.015 62.926 63.100 -0.315 0.000 0.788 195 P CB 0.938 32.257 31.700 -0.636 0.000 0.949 196 T N 0.246 114.750 114.554 -0.082 0.000 3.139 196 T HA -0.077 4.273 4.350 0.001 0.000 0.226 196 T C 1.445 176.125 174.700 -0.034 0.000 1.010 196 T CA 0.638 62.712 62.100 -0.042 0.000 1.487 196 T CB -0.609 68.250 68.868 -0.014 0.000 1.204 196 T HN 0.522 nan 8.240 nan 0.000 0.437 197 Q N 1.469 121.264 119.800 -0.009 0.000 2.515 197 Q HA 0.110 4.450 4.340 0.001 0.000 0.212 197 Q C 0.202 176.220 176.000 0.029 0.000 0.970 197 Q CA 0.282 56.091 55.803 0.009 0.000 0.941 197 Q CB -0.493 28.257 28.738 0.020 0.000 0.998 197 Q HN 0.230 nan 8.270 nan 0.000 0.518 198 V N 3.268 123.193 119.914 0.019 0.000 2.377 198 V HA 0.003 4.124 4.120 0.001 0.000 0.254 198 V C 0.271 176.425 176.094 0.101 0.000 1.060 198 V CA 0.282 62.628 62.300 0.077 0.000 1.068 198 V CB -0.531 31.312 31.823 0.033 0.000 1.113 198 V HN 0.222 nan 8.190 nan 0.000 0.484 199 K N 3.435 123.931 120.400 0.161 0.000 2.401 199 K HA 0.460 4.781 4.320 0.001 0.000 0.278 199 K C 1.223 178.004 176.600 0.303 0.000 1.018 199 K CA 0.559 56.960 56.287 0.190 0.000 0.981 199 K CB 0.661 33.266 32.500 0.175 0.000 0.933 199 K HN 0.905 nan 8.250 nan 0.000 0.477 200 G N 1.085 109.992 108.800 0.178 0.000 2.144 200 G HA2 -0.285 3.676 3.960 0.001 0.000 0.218 200 G HA3 -0.285 3.676 3.960 0.001 0.000 0.218 200 G C 0.676 175.700 174.900 0.207 0.000 0.988 200 G CA 0.181 45.380 45.100 0.165 0.000 0.659 200 G HN 0.696 nan 8.290 nan 0.000 0.522 201 A N 0.231 123.148 122.820 0.163 0.000 1.858 201 A HA 0.525 4.846 4.320 0.001 0.000 0.215 201 A C 2.381 180.123 177.584 0.264 0.000 1.320 201 A CA 1.689 53.855 52.037 0.216 0.000 0.601 201 A CB -0.660 18.286 19.000 -0.091 0.000 0.976 201 A HN 0.871 nan 8.150 nan 0.000 0.470 202 L N -0.310 120.970 121.223 0.096 0.000 2.043 202 L HA -0.267 4.073 4.340 0.001 0.000 0.212 202 L C 2.497 179.372 176.870 0.007 0.000 1.075 202 L CA 1.864 56.708 54.840 0.007 0.000 0.752 202 L CB -0.913 41.011 42.059 -0.226 0.000 0.891 202 L HN 0.377 nan 8.230 nan 0.000 0.432 203 E N -0.449 119.655 120.200 -0.160 0.000 2.048 203 E HA -0.234 4.117 4.350 0.001 0.000 0.202 203 E C 1.663 178.046 176.600 -0.361 0.000 1.021 203 E CA 2.161 58.295 56.400 -0.444 0.000 0.825 203 E CB -0.297 28.832 29.700 -0.950 0.000 0.756 203 E HN 0.626 nan 8.360 nan 0.000 0.454 204 Y N -1.689 118.735 120.300 0.207 0.000 2.423 204 Y HA 0.411 4.962 4.550 0.001 0.000 0.257 204 Y C 1.317 177.362 175.900 0.241 0.000 1.087 204 Y CA -0.148 58.064 58.100 0.186 0.000 1.258 204 Y CB -0.439 38.104 38.460 0.139 0.000 1.237 204 Y HN -0.026 nan 8.280 nan 0.000 0.517 205 G N 2.280 111.399 108.800 0.531 0.000 2.720 205 G HA2 0.331 4.291 3.960 0.001 0.000 0.237 205 G HA3 0.331 4.291 3.960 0.001 0.000 0.237 205 G C -0.189 174.958 174.900 0.412 0.000 1.239 205 G CA 0.075 45.557 45.100 0.636 0.000 0.847 205 G HN 0.367 nan 8.290 nan 0.000 0.593 206 I N -1.853 118.865 120.570 0.245 0.000 2.969 206 I HA 0.830 5.001 4.170 0.001 0.000 0.307 206 I C -0.075 176.118 176.117 0.126 0.000 1.149 206 I CA -0.953 60.457 61.300 0.183 0.000 1.008 206 I CB 2.644 40.690 38.000 0.077 0.000 1.232 206 I HN 0.711 nan 8.210 nan 0.000 0.435 207 T N -0.073 114.564 114.554 0.138 0.000 2.927 207 T HA 0.345 4.696 4.350 0.001 0.000 0.286 207 T C 1.076 175.808 174.700 0.053 0.000 1.040 207 T CA -0.028 62.124 62.100 0.087 0.000 1.010 207 T CB 1.406 70.363 68.868 0.149 0.000 1.177 207 T HN 0.870 nan 8.240 nan 0.000 0.546 208 S N 0.074 115.789 115.700 0.025 0.000 2.420 208 S HA -0.172 4.299 4.470 0.001 0.000 0.237 208 S C 1.115 175.729 174.600 0.025 0.000 1.023 208 S CA 1.353 59.516 58.200 -0.060 0.000 0.991 208 S CB -0.844 62.380 63.200 0.040 0.000 0.792 208 S HN 0.750 nan 8.310 nan 0.000 0.488 209 D N 1.779 122.299 120.400 0.201 0.000 2.350 209 D HA 0.009 4.649 4.640 0.001 0.000 0.216 209 D C 1.106 177.696 176.300 0.483 0.000 0.968 209 D CA 0.860 55.077 54.000 0.362 0.000 0.894 209 D CB -0.166 40.956 40.800 0.536 0.000 0.909 209 D HN 0.592 nan 8.370 nan 0.000 0.520 210 D N 0.155 120.742 120.400 0.311 0.000 2.615 210 D HA 0.024 4.664 4.640 0.001 0.000 0.259 210 D C 2.210 178.662 176.300 0.254 0.000 0.999 210 D CA -0.314 53.889 54.000 0.338 0.000 0.938 210 D CB 0.063 41.014 40.800 0.250 0.000 1.121 210 D HN 0.123 nan 8.370 nan 0.000 0.487 211 I N 0.850 121.447 120.570 0.044 0.000 2.285 211 I HA -0.352 3.819 4.170 0.001 0.000 0.253 211 I C 1.740 177.944 176.117 0.145 0.000 1.104 211 I CA 1.501 62.800 61.300 -0.003 0.000 1.372 211 I CB -0.002 37.869 38.000 -0.216 0.000 1.057 211 I HN -0.191 nan 8.210 nan 0.000 0.431 212 F N -0.254 119.795 119.950 0.164 0.000 2.187 212 F HA -0.079 4.448 4.527 0.001 0.000 0.295 212 F C 1.593 177.203 175.800 -0.316 0.000 1.091 212 F CA 1.150 59.054 58.000 -0.160 0.000 1.308 212 F CB -0.971 37.765 39.000 -0.440 0.000 1.030 212 F HN 0.125 nan 8.300 nan 0.000 0.487 213 W N 0.533 122.053 121.300 0.366 0.000 3.353 213 W HA 0.300 4.960 4.660 0.001 0.000 0.304 213 W C 0.253 176.945 176.519 0.290 0.000 1.273 213 W CA -0.371 57.146 57.345 0.286 0.000 1.773 213 W CB -0.594 29.033 29.460 0.279 0.000 1.095 213 W HN -0.276 nan 8.180 nan 0.000 0.676 214 L N 1.574 123.094 121.223 0.495 0.000 2.516 214 L HA -0.090 4.250 4.340 0.001 0.000 0.288 214 L C 1.379 178.528 176.870 0.464 0.000 1.246 214 L CA 0.841 55.943 54.840 0.438 0.000 0.844 214 L CB 0.488 42.775 42.059 0.380 0.000 1.106 214 L HN 0.121 nan 8.230 nan 0.000 0.509 215 K N 0.378 120.982 120.400 0.340 0.000 2.308 215 K HA 0.126 4.447 4.320 0.001 0.000 0.197 215 K C 0.028 176.813 176.600 0.308 0.000 1.049 215 K CA 0.259 56.720 56.287 0.291 0.000 0.991 215 K CB 0.471 33.096 32.500 0.207 0.000 0.836 215 K HN 0.429 nan 8.250 nan 0.000 0.500 216 E N 1.039 121.387 120.200 0.247 0.000 2.248 216 E HA 0.127 4.477 4.350 0.001 0.000 0.267 216 E C -1.130 175.392 176.600 -0.130 0.000 0.877 216 E CA -0.438 56.050 56.400 0.147 0.000 0.759 216 E CB 2.101 31.845 29.700 0.073 0.000 1.182 216 E HN -0.046 nan 8.360 nan 0.000 0.418 217 S N 3.086 118.630 115.700 -0.259 0.000 2.643 217 S HA -0.065 4.406 4.470 0.001 0.000 0.310 217 S C -1.493 172.739 174.600 -0.614 0.000 1.253 217 S CA -0.463 57.303 58.200 -0.724 0.000 1.047 217 S CB 0.291 63.383 63.200 -0.180 0.000 0.767 217 S HN 0.245 nan 8.310 nan 0.000 0.498 218 P HA 0.098 nan 4.420 nan 0.000 0.222 218 P C 1.371 178.515 177.300 -0.261 0.000 1.147 218 P CA 1.313 64.132 63.100 -0.468 0.000 0.790 218 P CB -0.477 30.923 31.700 -0.500 0.000 0.780 219 G N -0.489 108.176 108.800 -0.224 0.000 2.846 219 G HA2 -0.349 3.611 3.960 0.001 0.000 0.317 219 G HA3 -0.349 3.611 3.960 0.001 0.000 0.317 219 G C 0.122 174.975 174.900 -0.078 0.000 1.210 219 G CA 0.431 45.465 45.100 -0.109 0.000 0.972 219 G HN 0.520 nan 8.290 nan 0.000 0.567 220 K N 1.019 121.391 120.400 -0.046 0.000 2.164 220 K HA 0.619 4.939 4.320 0.001 0.000 0.258 220 K C -0.669 175.922 176.600 -0.014 0.000 0.951 220 K CA 0.286 56.576 56.287 0.006 0.000 0.844 220 K CB 1.656 34.200 32.500 0.074 0.000 1.099 220 K HN 0.794 nan 8.250 nan 0.000 0.435 221 T N 2.668 117.184 114.554 -0.063 0.000 2.889 221 T HA 0.438 4.789 4.350 0.001 0.000 0.315 221 T C -2.087 172.344 174.700 -0.448 0.000 1.291 221 T CA -0.814 61.160 62.100 -0.211 0.000 1.028 221 T CB 1.109 69.834 68.868 -0.238 0.000 1.235 221 T HN 0.434 nan 8.240 nan 0.000 0.491 222 L N 4.245 125.083 121.223 -0.643 0.000 2.341 222 L HA 0.818 5.158 4.340 0.001 0.000 0.278 222 L C -1.187 175.306 176.870 -0.628 0.000 1.005 222 L CA -0.521 53.805 54.840 -0.856 0.000 0.818 222 L CB 1.898 43.210 42.059 -1.245 0.000 1.259 222 L HN 0.545 nan 8.230 nan 0.000 0.418 223 V N 5.995 125.580 119.914 -0.548 0.000 2.293 223 V HA 0.270 4.391 4.120 0.001 0.000 0.275 223 V C -0.156 175.705 176.094 -0.388 0.000 1.021 223 V CA -0.725 61.310 62.300 -0.442 0.000 0.815 223 V CB 1.299 32.901 31.823 -0.367 0.000 1.025 223 V HN 0.498 nan 8.190 nan 0.000 0.448 224 V N 4.780 124.459 119.914 -0.391 0.000 2.287 224 V HA 0.713 4.833 4.120 0.001 0.000 0.246 224 V C 0.932 176.983 176.094 -0.071 0.000 1.165 224 V CA 0.445 62.609 62.300 -0.227 0.000 1.088 224 V CB -0.278 31.440 31.823 -0.175 0.000 1.242 224 V HN 0.998 nan 8.190 nan 0.000 0.497 225 G N 2.598 111.351 108.800 -0.079 0.000 2.489 225 G HA2 0.604 4.565 3.960 0.001 0.000 0.291 225 G HA3 0.604 4.565 3.960 0.001 0.000 0.291 225 G C -0.491 174.406 174.900 -0.004 0.000 1.487 225 G CA 0.074 45.166 45.100 -0.012 0.000 0.795 225 G HN 0.709 nan 8.290 nan 0.000 0.513 226 A N -0.340 122.501 122.820 0.036 0.000 2.605 226 A HA 0.739 5.059 4.320 0.001 0.000 0.292 226 A C 0.834 178.452 177.584 0.055 0.000 1.055 226 A CA 1.084 53.153 52.037 0.055 0.000 0.969 226 A CB -0.236 18.798 19.000 0.058 0.000 1.236 226 A HN 1.985 nan 8.150 nan 0.000 0.534 227 S N -2.041 113.695 115.700 0.060 0.000 3.605 227 S HA 0.544 5.015 4.470 0.001 0.000 0.301 227 S C 0.931 175.577 174.600 0.077 0.000 1.083 227 S CA -0.137 58.095 58.200 0.053 0.000 1.109 227 S CB -0.182 63.084 63.200 0.111 0.000 1.364 227 S HN 0.095 nan 8.310 nan 0.000 0.758 228 Y N 1.311 121.651 120.300 0.067 0.000 1.911 228 Y HA -0.221 4.329 4.550 0.001 0.000 0.244 228 Y C 2.809 178.738 175.900 0.049 0.000 1.139 228 Y CA 2.207 60.340 58.100 0.054 0.000 1.070 228 Y CB -1.330 37.193 38.460 0.104 0.000 0.919 228 Y HN 0.354 nan 8.280 nan 0.000 0.497 229 V N -0.205 119.865 119.914 0.259 0.000 2.217 229 V HA -0.422 3.698 4.120 0.001 0.000 0.248 229 V C 2.490 178.620 176.094 0.059 0.000 1.050 229 V CA 2.244 64.630 62.300 0.143 0.000 1.007 229 V CB -1.702 30.187 31.823 0.109 0.000 0.639 229 V HN 0.609 nan 8.190 nan 0.000 0.452 230 A N -0.078 122.757 122.820 0.026 0.000 1.879 230 A HA -0.331 3.990 4.320 0.001 0.000 0.222 230 A C 2.177 179.710 177.584 -0.084 0.000 1.368 230 A CA 2.918 54.923 52.037 -0.053 0.000 0.707 230 A CB -1.105 17.873 19.000 -0.037 0.000 0.846 230 A HN 0.523 nan 8.150 nan 0.000 0.468 231 L N -1.050 120.157 121.223 -0.026 0.000 2.013 231 L HA -0.281 4.060 4.340 0.001 0.000 0.212 231 L C 2.750 179.599 176.870 -0.035 0.000 1.073 231 L CA 2.101 56.930 54.840 -0.018 0.000 0.753 231 L CB -0.846 41.233 42.059 0.034 0.000 0.890 231 L HN 0.550 nan 8.230 nan 0.000 0.432 232 E N -0.521 119.689 120.200 0.016 0.000 2.038 232 E HA -0.241 4.109 4.350 0.001 0.000 0.195 232 E C 2.317 178.857 176.600 -0.100 0.000 1.000 232 E CA 1.821 58.248 56.400 0.046 0.000 0.803 232 E CB -0.283 29.513 29.700 0.160 0.000 0.750 232 E HN 0.580 nan 8.360 nan 0.000 0.448 233 C N 0.895 120.066 119.300 -0.215 0.000 2.432 233 C HA -0.094 4.367 4.460 0.001 0.000 0.277 233 C C 2.971 177.469 174.990 -0.820 0.000 1.249 233 C CA 0.747 59.363 59.018 -0.670 0.000 1.725 233 C CB -1.097 26.428 27.740 -0.358 0.000 2.028 233 C HN 0.519 nan 8.230 nan 0.000 0.477 234 A N 0.932 123.491 122.820 -0.435 0.000 1.940 234 A HA 0.029 4.350 4.320 0.001 0.000 0.219 234 A C 2.288 179.689 177.584 -0.306 0.000 1.176 234 A CA 2.212 54.029 52.037 -0.367 0.000 0.631 234 A CB -1.208 17.608 19.000 -0.306 0.000 0.814 234 A HN 0.578 nan 8.150 nan 0.000 0.446 235 G N 0.212 108.874 108.800 -0.231 0.000 2.575 235 G HA2 -0.163 3.797 3.960 0.001 0.000 0.215 235 G HA3 -0.163 3.797 3.960 0.001 0.000 0.215 235 G C 1.374 176.280 174.900 0.010 0.000 1.262 235 G CA 1.337 46.407 45.100 -0.050 0.000 0.807 235 G HN 0.804 nan 8.290 nan 0.000 0.567 236 F N 1.109 121.142 119.950 0.137 0.000 2.161 236 F HA 0.046 4.573 4.527 0.001 0.000 0.300 236 F C 2.297 178.147 175.800 0.083 0.000 1.089 236 F CA 0.768 58.843 58.000 0.125 0.000 1.282 236 F CB -0.964 38.131 39.000 0.158 0.000 1.010 236 F HN 0.074 nan 8.300 nan 0.000 0.485 237 L N 0.388 121.537 121.223 -0.123 0.000 1.997 237 L HA -0.271 4.070 4.340 0.001 0.000 0.216 237 L C 2.602 179.495 176.870 0.037 0.000 1.074 237 L CA 2.325 57.178 54.840 0.022 0.000 0.763 237 L CB -1.366 40.560 42.059 -0.220 0.000 0.890 237 L HN 0.302 nan 8.230 nan 0.000 0.434 238 T N -0.538 113.999 114.554 -0.027 0.000 2.746 238 T HA -0.135 4.216 4.350 0.001 0.000 0.267 238 T C 1.754 176.479 174.700 0.042 0.000 1.039 238 T CA 1.289 63.388 62.100 -0.002 0.000 1.142 238 T CB -0.569 68.294 68.868 -0.009 0.000 0.866 238 T HN 0.594 nan 8.240 nan 0.000 0.444 239 G N 0.983 109.831 108.800 0.079 0.000 2.448 239 G HA2 -0.121 3.839 3.960 0.001 0.000 0.219 239 G HA3 -0.121 3.839 3.960 0.001 0.000 0.219 239 G C 1.491 176.391 174.900 -0.001 0.000 1.127 239 G CA 0.350 45.492 45.100 0.070 0.000 0.766 239 G HN 0.492 nan 8.290 nan 0.000 0.552 240 I N 0.009 120.577 120.570 -0.002 0.000 2.353 240 I HA 0.115 4.286 4.170 0.001 0.000 0.248 240 I C 2.147 178.238 176.117 -0.044 0.000 1.119 240 I CA 1.193 62.403 61.300 -0.150 0.000 1.417 240 I CB 0.153 38.164 38.000 0.018 0.000 1.078 240 I HN 0.372 nan 8.210 nan 0.000 0.421 241 G N 0.393 109.205 108.800 0.021 0.000 2.234 241 G HA2 -0.118 3.843 3.960 0.001 0.000 0.153 241 G HA3 -0.118 3.843 3.960 0.001 0.000 0.153 241 G C 0.122 175.044 174.900 0.035 0.000 1.013 241 G CA -0.646 44.474 45.100 0.033 0.000 0.712 241 G HN 0.113 nan 8.290 nan 0.000 0.491 242 L N 1.392 122.635 121.223 0.033 0.000 2.417 242 L HA 0.349 4.689 4.340 0.001 0.000 0.268 242 L C 0.425 177.285 176.870 -0.016 0.000 1.158 242 L CA -0.547 54.296 54.840 0.005 0.000 0.819 242 L CB 0.776 42.824 42.059 -0.018 0.000 1.112 242 L HN 0.111 nan 8.230 nan 0.000 0.458 243 D N 2.320 122.711 120.400 -0.015 0.000 2.498 243 D HA 0.029 4.670 4.640 0.001 0.000 0.229 243 D C -0.562 175.714 176.300 -0.040 0.000 1.188 243 D CA -0.105 53.889 54.000 -0.011 0.000 1.028 243 D CB 0.343 41.154 40.800 0.017 0.000 1.087 243 D HN 0.461 nan 8.370 nan 0.000 0.510 244 T N 2.098 116.599 114.554 -0.088 0.000 2.889 244 T HA 0.385 4.736 4.350 0.001 0.000 0.291 244 T C 0.099 174.663 174.700 -0.226 0.000 0.995 244 T CA -0.413 61.583 62.100 -0.174 0.000 1.092 244 T CB 1.604 70.354 68.868 -0.196 0.000 0.954 244 T HN 0.165 nan 8.240 nan 0.000 0.506 245 T N 2.016 116.368 114.554 -0.337 0.000 3.011 245 T HA 0.435 4.785 4.350 0.001 0.000 0.303 245 T C -0.321 174.058 174.700 -0.535 0.000 0.997 245 T CA -0.626 61.230 62.100 -0.407 0.000 1.007 245 T CB 1.230 69.885 68.868 -0.355 0.000 1.017 245 T HN 0.366 nan 8.240 nan 0.000 0.443 246 V N 4.125 123.655 119.914 -0.640 0.000 2.509 246 V HA 0.500 4.621 4.120 0.001 0.000 0.284 246 V C 0.134 175.961 176.094 -0.444 0.000 1.047 246 V CA -0.738 61.198 62.300 -0.608 0.000 0.952 246 V CB 1.603 32.907 31.823 -0.865 0.000 0.988 246 V HN 0.931 nan 8.190 nan 0.000 0.469 247 M N 6.392 125.783 119.600 -0.350 0.000 2.065 247 M HA 0.487 4.967 4.480 0.001 0.000 0.308 247 M C -0.862 175.349 176.300 -0.148 0.000 0.939 247 M CA -0.332 54.792 55.300 -0.292 0.000 0.890 247 M CB 0.501 32.860 32.600 -0.401 0.000 1.383 247 M HN 0.585 nan 8.290 nan 0.000 0.381 248 M N 3.725 123.295 119.600 -0.050 0.000 2.162 248 M HA 0.248 4.729 4.480 0.001 0.000 0.356 248 M C 1.236 177.530 176.300 -0.010 0.000 1.303 248 M CA -0.028 55.277 55.300 0.008 0.000 1.116 248 M CB 0.930 33.576 32.600 0.076 0.000 1.632 248 M HN 0.627 nan 8.290 nan 0.000 0.469 249 R N 1.191 121.695 120.500 0.006 0.000 2.090 249 R HA 0.120 4.460 4.340 0.001 0.000 0.219 249 R C 1.237 177.563 176.300 0.044 0.000 1.100 249 R CA 0.923 57.031 56.100 0.014 0.000 0.991 249 R CB 0.097 30.417 30.300 0.034 0.000 0.893 249 R HN 0.634 nan 8.270 nan 0.000 0.443 250 S N 0.226 115.954 115.700 0.046 0.000 4.422 250 S HA 0.429 4.900 4.470 0.001 0.000 0.210 250 S C 0.182 174.803 174.600 0.034 0.000 1.082 250 S CA -0.512 57.716 58.200 0.048 0.000 1.813 250 S CB 0.031 63.263 63.200 0.053 0.000 0.877 250 S HN 0.313 nan 8.310 nan 0.000 0.755 251 I N 1.119 121.708 120.570 0.032 0.000 2.834 251 I HA 0.600 4.770 4.170 0.001 0.000 0.305 251 I C -2.729 173.404 176.117 0.028 0.000 1.008 251 I CA -2.470 58.842 61.300 0.021 0.000 1.273 251 I CB 0.687 38.700 38.000 0.021 0.000 1.432 251 I HN 0.246 nan 8.210 nan 0.000 0.557 252 P HA 0.345 nan 4.420 nan 0.000 0.281 252 P C -0.431 176.891 177.300 0.037 0.000 1.249 252 P CA -0.519 62.592 63.100 0.018 0.000 0.810 252 P CB 0.628 32.315 31.700 -0.022 0.000 1.008 253 L N -0.745 120.500 121.223 0.036 0.000 4.054 253 L HA -0.273 4.067 4.340 0.001 0.000 0.475 253 L C 0.914 177.900 176.870 0.194 0.000 1.166 253 L CA 0.260 55.152 54.840 0.086 0.000 0.688 253 L CB -1.359 40.673 42.059 -0.045 0.000 1.512 253 L HN 0.506 nan 8.230 nan 0.000 0.799 254 R N 1.070 121.648 120.500 0.129 0.000 2.504 254 R HA 0.201 4.541 4.340 0.001 0.000 0.291 254 R C 1.380 177.749 176.300 0.114 0.000 0.974 254 R CA 1.265 57.428 56.100 0.106 0.000 1.077 254 R CB 0.215 30.561 30.300 0.077 0.000 0.926 254 R HN 0.569 nan 8.270 nan 0.000 0.407 255 G N 3.834 112.684 108.800 0.083 0.000 2.561 255 G HA2 -0.263 3.698 3.960 0.001 0.000 0.203 255 G HA3 -0.263 3.698 3.960 0.001 0.000 0.203 255 G C -0.024 174.862 174.900 -0.023 0.000 1.101 255 G CA -0.221 44.879 45.100 -0.001 0.000 0.711 255 G HN 0.512 nan 8.290 nan 0.000 0.511 256 F N 2.625 122.604 119.950 0.049 0.000 2.532 256 F HA 0.334 4.862 4.527 0.001 0.000 0.323 256 F C 1.217 177.081 175.800 0.107 0.000 1.234 256 F CA 0.607 58.677 58.000 0.115 0.000 1.323 256 F CB 0.372 39.473 39.000 0.168 0.000 1.183 256 F HN 0.135 nan 8.300 nan 0.000 0.589 257 D N 2.228 122.864 120.400 0.393 0.000 2.422 257 D HA -0.098 4.543 4.640 0.001 0.000 0.263 257 D C 0.988 177.329 176.300 0.069 0.000 1.334 257 D CA -0.076 54.011 54.000 0.145 0.000 1.105 257 D CB 0.520 41.317 40.800 -0.006 0.000 1.107 257 D HN 0.438 nan 8.370 nan 0.000 0.522 258 Q N 2.269 122.101 119.800 0.053 0.000 2.294 258 Q HA -0.293 4.048 4.340 0.001 0.000 0.215 258 Q C 1.634 177.605 176.000 -0.049 0.000 1.000 258 Q CA 1.506 57.315 55.803 0.009 0.000 0.916 258 Q CB -0.162 28.577 28.738 0.002 0.000 0.932 258 Q HN 0.725 nan 8.270 nan 0.000 0.420 259 Q N -1.042 118.717 119.800 -0.069 0.000 1.990 259 Q HA -0.135 4.205 4.340 0.001 0.000 0.200 259 Q C 1.967 177.875 176.000 -0.154 0.000 0.980 259 Q CA 1.250 56.990 55.803 -0.104 0.000 0.832 259 Q CB 0.055 28.741 28.738 -0.085 0.000 0.897 259 Q HN 0.294 nan 8.270 nan 0.000 0.427 260 M N 0.258 119.745 119.600 -0.189 0.000 2.082 260 M HA -0.170 4.310 4.480 0.001 0.000 0.258 260 M C 2.272 178.327 176.300 -0.409 0.000 1.069 260 M CA 1.544 56.617 55.300 -0.379 0.000 1.102 260 M CB -1.378 30.798 32.600 -0.706 0.000 1.336 260 M HN 0.125 nan 8.290 nan 0.000 0.404 261 S N 0.590 116.128 115.700 -0.270 0.000 2.372 261 S HA -0.182 4.288 4.470 0.001 0.000 0.227 261 S C 2.156 176.667 174.600 -0.149 0.000 1.044 261 S CA 1.999 60.099 58.200 -0.166 0.000 1.050 261 S CB -0.576 62.605 63.200 -0.032 0.000 0.901 261 S HN 0.626 nan 8.310 nan 0.000 0.447 262 S N 1.295 116.913 115.700 -0.136 0.000 2.355 262 S HA 0.020 4.491 4.470 0.001 0.000 0.222 262 S C 1.855 176.372 174.600 -0.139 0.000 1.031 262 S CA 0.853 58.973 58.200 -0.133 0.000 0.993 262 S CB -0.540 62.589 63.200 -0.119 0.000 0.859 262 S HN 0.458 nan 8.310 nan 0.000 0.453 263 L N 1.100 122.234 121.223 -0.148 0.000 2.081 263 L HA -0.110 4.231 4.340 0.001 0.000 0.212 263 L C 2.534 179.359 176.870 -0.074 0.000 1.080 263 L CA 1.087 55.858 54.840 -0.116 0.000 0.754 263 L CB -0.660 41.317 42.059 -0.137 0.000 0.893 263 L HN 0.256 nan 8.230 nan 0.000 0.433 264 V N -0.037 119.808 119.914 -0.115 0.000 2.216 264 V HA -0.345 3.775 4.120 0.001 0.000 0.243 264 V C 2.743 178.837 176.094 -0.001 0.000 1.044 264 V CA 2.567 64.829 62.300 -0.065 0.000 0.995 264 V CB -0.980 30.785 31.823 -0.098 0.000 0.633 264 V HN 0.717 nan 8.190 nan 0.000 0.446 265 T N -1.444 113.074 114.554 -0.060 0.000 2.653 265 T HA -0.340 4.010 4.350 0.001 0.000 0.268 265 T C 1.668 176.287 174.700 -0.135 0.000 1.035 265 T CA 2.142 64.169 62.100 -0.122 0.000 1.154 265 T CB -0.729 67.911 68.868 -0.381 0.000 0.862 265 T HN 0.574 nan 8.240 nan 0.000 0.441 266 E N 0.028 120.148 120.200 -0.133 0.000 2.171 266 E HA -0.263 4.088 4.350 0.001 0.000 0.197 266 E C 2.211 178.826 176.600 0.025 0.000 0.997 266 E CA 1.370 57.719 56.400 -0.086 0.000 0.810 266 E CB -0.294 29.362 29.700 -0.074 0.000 0.738 266 E HN 0.683 nan 8.360 nan 0.000 0.467 267 H N 0.437 119.501 119.070 -0.010 0.000 2.326 267 H HA -0.081 4.476 4.556 0.001 0.000 0.301 267 H C 2.071 177.452 175.328 0.090 0.000 1.081 267 H CA 1.539 57.595 56.048 0.014 0.000 1.334 267 H CB -0.038 29.683 29.762 -0.067 0.000 1.385 267 H HN 0.151 nan 8.280 nan 0.000 0.504 268 M N 0.468 120.234 119.600 0.277 0.000 2.065 268 M HA -0.190 4.290 4.480 0.001 0.000 0.259 268 M C 2.518 178.984 176.300 0.277 0.000 1.071 268 M CA 2.177 57.664 55.300 0.311 0.000 1.109 268 M CB -0.336 32.512 32.600 0.413 0.000 1.313 268 M HN 0.286 nan 8.290 nan 0.000 0.408 269 E N -0.352 120.020 120.200 0.288 0.000 2.097 269 E HA -0.222 4.129 4.350 0.001 0.000 0.196 269 E C 1.912 178.580 176.600 0.112 0.000 1.000 269 E CA 1.613 58.156 56.400 0.238 0.000 0.804 269 E CB -0.059 29.681 29.700 0.067 0.000 0.740 269 E HN 0.319 nan 8.360 nan 0.000 0.454 270 S N -1.336 114.415 115.700 0.086 0.000 2.555 270 S HA -0.089 4.381 4.470 0.001 0.000 0.230 270 S C 0.104 174.661 174.600 -0.072 0.000 0.978 270 S CA 0.441 58.654 58.200 0.021 0.000 0.934 270 S CB -0.128 63.102 63.200 0.050 0.000 0.766 270 S HN 0.346 nan 8.310 nan 0.000 0.533 271 H N -0.948 118.060 119.070 -0.103 0.000 2.676 271 H HA 0.435 4.991 4.556 0.001 0.000 0.238 271 H C 0.995 176.313 175.328 -0.016 0.000 1.276 271 H CA -0.027 55.966 56.048 -0.091 0.000 0.983 271 H CB 0.447 30.108 29.762 -0.168 0.000 2.000 271 H HN 0.266 nan 8.280 nan 0.000 0.584 272 G N 0.015 108.853 108.800 0.063 0.000 2.213 272 G HA2 -0.278 3.682 3.960 0.001 0.000 0.226 272 G HA3 -0.278 3.682 3.960 0.001 0.000 0.226 272 G C 0.466 175.386 174.900 0.033 0.000 0.992 272 G CA 0.115 45.241 45.100 0.043 0.000 0.632 272 G HN 0.365 nan 8.290 nan 0.000 0.511 273 T N 2.960 117.551 114.554 0.061 0.000 2.747 273 T HA 0.475 4.826 4.350 0.001 0.000 0.301 273 T C 0.485 175.163 174.700 -0.036 0.000 0.952 273 T CA -0.133 61.951 62.100 -0.027 0.000 0.983 273 T CB 0.973 69.815 68.868 -0.045 0.000 0.930 273 T HN 0.437 nan 8.240 nan 0.000 0.494 274 Q N 2.435 122.175 119.800 -0.100 0.000 2.330 274 Q HA 0.241 4.581 4.340 0.001 0.000 0.279 274 Q C -0.853 175.029 176.000 -0.197 0.000 1.024 274 Q CA 0.454 56.219 55.803 -0.065 0.000 0.900 274 Q CB 0.454 29.157 28.738 -0.060 0.000 1.221 274 Q HN 0.525 nan 8.270 nan 0.000 0.396 275 F N 1.846 121.752 119.950 -0.073 0.000 2.529 275 F HA 0.288 4.815 4.527 0.001 0.000 0.320 275 F C -0.754 174.980 175.800 -0.110 0.000 1.118 275 F CA -0.840 57.102 58.000 -0.098 0.000 0.915 275 F CB 1.297 40.256 39.000 -0.069 0.000 1.161 275 F HN 0.330 nan 8.300 nan 0.000 0.445 276 L N 5.061 126.296 121.223 0.019 0.000 2.426 276 L HA 0.318 4.659 4.340 0.001 0.000 0.255 276 L C -0.210 176.645 176.870 -0.026 0.000 1.080 276 L CA -0.653 54.137 54.840 -0.083 0.000 0.960 276 L CB 0.368 42.212 42.059 -0.358 0.000 1.326 276 L HN 0.369 nan 8.230 nan 0.000 0.441 277 K N 1.828 122.257 120.400 0.047 0.000 2.402 277 K HA 0.398 4.719 4.320 0.001 0.000 0.285 277 K C 1.032 177.642 176.600 0.017 0.000 1.054 277 K CA 0.484 56.791 56.287 0.033 0.000 1.001 277 K CB 0.272 32.775 32.500 0.006 0.000 0.946 277 K HN 0.707 nan 8.250 nan 0.000 0.473 278 G N 2.189 110.995 108.800 0.010 0.000 2.171 278 G HA2 -0.239 3.722 3.960 0.001 0.000 0.238 278 G HA3 -0.239 3.722 3.960 0.001 0.000 0.238 278 G C -0.087 174.801 174.900 -0.020 0.000 1.039 278 G CA -0.436 44.679 45.100 0.026 0.000 0.759 278 G HN 0.612 nan 8.290 nan 0.000 0.501 279 C N -0.626 118.617 119.300 -0.095 0.000 2.614 279 C HA 0.895 5.356 4.460 0.001 0.000 0.320 279 C C 0.455 175.355 174.990 -0.151 0.000 1.200 279 C CA -0.873 58.052 59.018 -0.156 0.000 1.700 279 C CB 1.845 29.411 27.740 -0.290 0.000 2.275 279 C HN 0.581 nan 8.230 nan 0.000 0.492 280 V N 1.908 121.756 119.914 -0.110 0.000 2.876 280 V HA 0.507 4.628 4.120 0.001 0.000 0.312 280 V C -2.667 173.515 176.094 0.146 0.000 1.085 280 V CA -1.742 60.554 62.300 -0.006 0.000 0.945 280 V CB 1.956 33.758 31.823 -0.035 0.000 1.017 280 V HN 0.684 nan 8.190 nan 0.000 0.428 281 P HA 0.354 nan 4.420 nan 0.000 0.279 281 P C 0.173 177.636 177.300 0.271 0.000 1.239 281 P CA -0.137 63.146 63.100 0.306 0.000 0.789 281 P CB 1.163 33.118 31.700 0.425 0.000 0.933 282 S N -0.295 115.578 115.700 0.288 0.000 2.648 282 S HA 0.155 4.626 4.470 0.001 0.000 0.270 282 S C -0.046 174.739 174.600 0.308 0.000 1.082 282 S CA -0.019 58.324 58.200 0.238 0.000 1.116 282 S CB -0.047 63.268 63.200 0.192 0.000 1.040 282 S HN 0.645 nan 8.310 nan 0.000 0.572 283 H N -0.373 118.819 119.070 0.202 0.000 3.139 283 H HA 0.497 5.054 4.556 0.001 0.000 0.325 283 H C -2.172 173.297 175.328 0.235 0.000 1.146 283 H CA -0.725 55.438 56.048 0.191 0.000 1.351 283 H CB 1.204 31.046 29.762 0.132 0.000 2.005 283 H HN 0.183 nan 8.280 nan 0.000 0.517 284 I N 4.315 124.908 120.570 0.038 0.000 2.466 284 I HA 0.277 4.447 4.170 0.001 0.000 0.289 284 I C -0.696 175.344 176.117 -0.128 0.000 1.026 284 I CA -0.594 60.734 61.300 0.046 0.000 1.078 284 I CB 2.149 40.350 38.000 0.336 0.000 1.249 284 I HN 0.296 nan 8.210 nan 0.000 0.429 285 K N 5.946 126.221 120.400 -0.208 0.000 2.502 285 K HA 0.348 4.669 4.320 0.001 0.000 0.254 285 K C -0.710 175.757 176.600 -0.222 0.000 0.947 285 K CA -0.759 55.431 56.287 -0.161 0.000 0.834 285 K CB 1.520 33.891 32.500 -0.216 0.000 1.112 285 K HN 0.413 nan 8.250 nan 0.000 0.427 286 K N 4.313 124.463 120.400 -0.416 0.000 2.368 286 K HA 0.134 4.454 4.320 0.001 0.000 0.282 286 K C -0.303 176.167 176.600 -0.217 0.000 1.035 286 K CA -0.474 55.468 56.287 -0.574 0.000 0.973 286 K CB 0.340 32.285 32.500 -0.925 0.000 0.957 286 K HN 0.444 nan 8.250 nan 0.000 0.474 287 L N 3.628 124.747 121.223 -0.173 0.000 2.298 287 L HA 0.653 4.994 4.340 0.001 0.000 0.268 287 L C -1.800 175.027 176.870 -0.071 0.000 1.010 287 L CA -1.661 53.122 54.840 -0.094 0.000 0.812 287 L CB 0.188 42.195 42.059 -0.086 0.000 1.331 287 L HN 0.481 nan 8.230 nan 0.000 0.450 288 P HA -0.300 nan 4.420 nan 0.000 0.210 288 P C 1.175 178.454 177.300 -0.034 0.000 1.151 288 P CA 2.940 66.022 63.100 -0.030 0.000 0.949 288 P CB -0.716 30.970 31.700 -0.023 0.000 0.786 289 T N -4.370 110.161 114.554 -0.039 0.000 3.118 289 T HA -0.119 4.231 4.350 0.001 0.000 0.269 289 T C 1.033 175.706 174.700 -0.045 0.000 1.166 289 T CA 0.995 63.072 62.100 -0.037 0.000 1.073 289 T CB -1.120 67.725 68.868 -0.040 0.000 0.884 289 T HN 0.183 nan 8.240 nan 0.000 0.550 290 N N 0.027 118.689 118.700 -0.062 0.000 2.965 290 N HA -0.160 4.581 4.740 0.001 0.000 0.232 290 N C -0.323 175.116 175.510 -0.118 0.000 0.913 290 N CA 0.998 53.997 53.050 -0.084 0.000 0.981 290 N CB -1.158 37.302 38.487 -0.044 0.000 1.077 290 N HN 0.695 nan 8.380 nan 0.000 0.589 291 Q N 0.487 120.226 119.800 -0.102 0.000 2.474 291 Q HA 0.203 4.543 4.340 0.001 0.000 0.256 291 Q C 0.300 176.212 176.000 -0.146 0.000 1.048 291 Q CA 0.104 55.846 55.803 -0.102 0.000 0.922 291 Q CB 0.714 29.398 28.738 -0.091 0.000 1.288 291 Q HN 0.129 nan 8.270 nan 0.000 0.484 292 L N 2.044 123.200 121.223 -0.111 0.000 2.275 292 L HA 0.228 4.569 4.340 0.001 0.000 0.288 292 L C -0.013 176.823 176.870 -0.057 0.000 1.046 292 L CA 0.283 55.051 54.840 -0.119 0.000 0.805 292 L CB 1.045 43.086 42.059 -0.031 0.000 1.193 292 L HN 0.713 nan 8.230 nan 0.000 0.426 293 Q N 3.052 122.800 119.800 -0.086 0.000 2.509 293 Q HA 0.355 4.696 4.340 0.001 0.000 0.230 293 Q C -1.202 174.798 176.000 0.001 0.000 1.089 293 Q CA -0.351 55.415 55.803 -0.062 0.000 0.901 293 Q CB 0.989 29.670 28.738 -0.096 0.000 1.208 293 Q HN 0.466 nan 8.270 nan 0.000 0.529 294 V N 3.177 123.176 119.914 0.143 0.000 2.461 294 V HA 0.272 4.393 4.120 0.001 0.000 0.275 294 V C 0.376 176.635 176.094 0.275 0.000 1.047 294 V CA -0.247 62.210 62.300 0.261 0.000 0.955 294 V CB 1.343 33.415 31.823 0.414 0.000 0.988 294 V HN 0.707 nan 8.190 nan 0.000 0.471 295 T N 5.501 120.178 114.554 0.206 0.000 2.797 295 T HA 0.638 4.988 4.350 0.001 0.000 0.279 295 T C -0.600 174.244 174.700 0.240 0.000 0.991 295 T CA -0.543 61.598 62.100 0.068 0.000 0.979 295 T CB 0.801 69.687 68.868 0.030 0.000 0.943 295 T HN 0.751 nan 8.240 nan 0.000 0.444 296 W N 2.840 124.193 121.300 0.088 0.000 3.810 296 W HA 0.849 5.510 4.660 0.001 0.000 0.395 296 W C -1.223 175.321 176.519 0.041 0.000 1.216 296 W CA -1.111 56.271 57.345 0.062 0.000 0.895 296 W CB 0.740 30.222 29.460 0.036 0.000 2.031 296 W HN 0.565 nan 8.180 nan 0.000 0.639 297 E N 0.665 121.117 120.200 0.420 0.000 2.274 297 E HA 0.080 4.430 4.350 0.001 0.000 0.269 297 E C -1.619 175.162 176.600 0.302 0.000 0.891 297 E CA -0.737 55.806 56.400 0.238 0.000 0.784 297 E CB 2.186 31.975 29.700 0.148 0.000 1.225 297 E HN 0.299 nan 8.360 nan 0.000 0.412 298 D N 2.268 122.869 120.400 0.334 0.000 2.631 298 D HA 0.062 4.702 4.640 0.001 0.000 0.227 298 D C 0.503 176.959 176.300 0.261 0.000 1.146 298 D CA 0.022 54.200 54.000 0.296 0.000 1.009 298 D CB -0.153 40.828 40.800 0.302 0.000 1.057 298 D HN 0.591 nan 8.370 nan 0.000 0.509 299 H N 0.703 119.855 119.070 0.138 0.000 2.539 299 H HA -0.169 4.388 4.556 0.001 0.000 0.292 299 H C 1.730 177.101 175.328 0.072 0.000 1.069 299 H CA 0.799 56.902 56.048 0.092 0.000 1.244 299 H CB 0.614 30.424 29.762 0.080 0.000 1.365 299 H HN 0.407 nan 8.280 nan 0.000 0.575 300 A N -0.273 122.662 122.820 0.192 0.000 1.935 300 A HA 0.004 4.324 4.320 0.001 0.000 0.214 300 A C 1.888 179.532 177.584 0.100 0.000 1.178 300 A CA 1.108 53.217 52.037 0.120 0.000 0.640 300 A CB 0.333 19.388 19.000 0.092 0.000 0.825 300 A HN 0.215 nan 8.150 nan 0.000 0.447 301 S N -1.899 113.871 115.700 0.117 0.000 3.576 301 S HA 0.478 4.949 4.470 0.001 0.000 0.179 301 S C 1.225 175.884 174.600 0.099 0.000 0.977 301 S CA -0.029 58.227 58.200 0.094 0.000 1.189 301 S CB -0.915 62.338 63.200 0.087 0.000 1.443 301 S HN 0.683 nan 8.310 nan 0.000 0.874 302 G N 1.303 110.163 108.800 0.101 0.000 2.518 302 G HA2 0.222 4.183 3.960 0.001 0.000 0.284 302 G HA3 0.222 4.183 3.960 0.001 0.000 0.284 302 G C 0.054 175.017 174.900 0.106 0.000 1.362 302 G CA 0.216 45.367 45.100 0.084 0.000 1.065 302 G HN 0.305 nan 8.290 nan 0.000 0.561 303 K N -0.402 120.046 120.400 0.079 0.000 2.483 303 K HA 0.268 4.588 4.320 0.001 0.000 0.206 303 K C 0.174 176.821 176.600 0.079 0.000 1.086 303 K CA 0.054 56.404 56.287 0.104 0.000 1.052 303 K CB 0.978 33.523 32.500 0.075 0.000 0.904 303 K HN 0.732 nan 8.250 nan 0.000 0.557 304 E N 0.510 120.718 120.200 0.012 0.000 2.745 304 E HA 0.118 4.469 4.350 0.001 0.000 0.306 304 E C -2.179 174.262 176.600 -0.264 0.000 1.090 304 E CA -0.247 56.093 56.400 -0.101 0.000 0.893 304 E CB 1.124 30.782 29.700 -0.071 0.000 1.205 304 E HN -0.064 nan 8.360 nan 0.000 0.438 305 D N 1.588 121.596 120.400 -0.653 0.000 2.655 305 D HA 0.452 5.092 4.640 0.001 0.000 0.229 305 D C -1.580 173.917 176.300 -1.338 0.000 1.229 305 D CA -0.177 53.309 54.000 -0.856 0.000 0.807 305 D CB 2.619 43.004 40.800 -0.691 0.000 1.514 305 D HN 0.323 nan 8.370 nan 0.000 0.444 306 T N 0.700 114.734 114.554 -0.867 0.000 2.881 306 T HA 0.751 5.101 4.350 0.001 0.000 0.290 306 T C -0.234 174.238 174.700 -0.380 0.000 1.000 306 T CA -0.526 61.193 62.100 -0.635 0.000 0.978 306 T CB 1.644 70.332 68.868 -0.300 0.000 0.997 306 T HN 0.442 nan 8.240 nan 0.000 0.443 307 G N 1.112 109.826 108.800 -0.144 0.000 2.733 307 G HA2 0.774 4.734 3.960 0.001 0.000 0.288 307 G HA3 0.774 4.734 3.960 0.001 0.000 0.288 307 G C -0.996 173.704 174.900 -0.334 0.000 1.373 307 G CA -0.809 44.217 45.100 -0.124 0.000 0.895 307 G HN 0.809 nan 8.290 nan 0.000 0.479 308 T N -1.799 112.310 114.554 -0.742 0.000 2.916 308 T HA 0.777 5.127 4.350 0.001 0.000 0.298 308 T C -1.197 172.951 174.700 -0.920 0.000 1.031 308 T CA -0.657 61.084 62.100 -0.598 0.000 0.993 308 T CB 1.447 70.143 68.868 -0.288 0.000 1.045 308 T HN 0.438 nan 8.240 nan 0.000 0.454 309 F N 0.188 120.112 119.950 -0.043 0.000 2.643 309 F HA 0.503 5.031 4.527 0.001 0.000 0.314 309 F C 0.864 176.611 175.800 -0.087 0.000 1.096 309 F CA -1.470 56.488 58.000 -0.070 0.000 0.953 309 F CB 1.074 40.019 39.000 -0.092 0.000 1.345 309 F HN 0.444 nan 8.300 nan 0.000 0.468 310 D N 0.064 120.523 120.400 0.098 0.000 2.097 310 D HA -0.015 4.626 4.640 0.001 0.000 0.197 310 D C 0.374 176.669 176.300 -0.008 0.000 0.984 310 D CA 1.674 55.679 54.000 0.009 0.000 0.826 310 D CB 0.072 40.856 40.800 -0.026 0.000 0.973 310 D HN 0.508 nan 8.370 nan 0.000 0.460 311 T N -0.192 114.342 114.554 -0.033 0.000 2.924 311 T HA 0.576 4.927 4.350 0.001 0.000 0.291 311 T C -0.298 174.307 174.700 -0.157 0.000 1.045 311 T CA -0.782 61.268 62.100 -0.083 0.000 1.015 311 T CB 3.040 71.830 68.868 -0.130 0.000 1.103 311 T HN -0.293 nan 8.240 nan 0.000 0.496 312 V N 2.384 122.173 119.914 -0.209 0.000 2.525 312 V HA 0.495 4.615 4.120 0.001 0.000 0.299 312 V C -1.276 174.491 176.094 -0.546 0.000 1.034 312 V CA -0.783 61.262 62.300 -0.424 0.000 0.863 312 V CB 1.647 33.221 31.823 -0.415 0.000 0.999 312 V HN 0.719 nan 8.190 nan 0.000 0.423 313 L N 5.743 126.610 121.223 -0.593 0.000 2.298 313 L HA 0.645 4.986 4.340 0.001 0.000 0.284 313 L C -1.118 175.440 176.870 -0.521 0.000 1.013 313 L CA -0.559 53.994 54.840 -0.478 0.000 0.824 313 L CB 1.139 43.010 42.059 -0.314 0.000 1.221 313 L HN 0.647 nan 8.230 nan 0.000 0.418 314 W N 5.599 126.787 121.300 -0.186 0.000 2.416 314 W HA 0.609 5.270 4.660 0.001 0.000 0.318 314 W C 0.358 176.784 176.519 -0.154 0.000 1.150 314 W CA -0.665 56.564 57.345 -0.193 0.000 1.392 314 W CB 0.896 30.174 29.460 -0.304 0.000 1.311 314 W HN 0.754 nan 8.180 nan 0.000 0.436 315 A N 5.501 128.359 122.820 0.064 0.000 3.158 315 A HA 0.392 4.712 4.320 0.001 0.000 0.319 315 A C 0.256 177.889 177.584 0.082 0.000 1.204 315 A CA -0.492 51.572 52.037 0.047 0.000 0.992 315 A CB -0.814 18.182 19.000 -0.007 0.000 1.110 315 A HN 0.768 nan 8.150 nan 0.000 0.519 316 I N -2.064 118.570 120.570 0.106 0.000 3.654 316 I HA 0.610 4.780 4.170 0.001 0.000 0.337 316 I C 0.488 176.658 176.117 0.088 0.000 1.568 316 I CA 0.015 61.375 61.300 0.100 0.000 1.115 316 I CB -0.069 37.997 38.000 0.110 0.000 1.300 316 I HN 0.562 nan 8.210 nan 0.000 0.471 317 G N 1.572 110.430 108.800 0.096 0.000 2.603 317 G HA2 -0.071 3.889 3.960 0.001 0.000 0.686 317 G HA3 -0.071 3.889 3.960 0.001 0.000 0.686 317 G C -0.802 174.154 174.900 0.093 0.000 1.286 317 G CA -0.950 44.208 45.100 0.097 0.000 0.871 317 G HN 0.407 nan 8.290 nan 0.000 0.568 318 R N -1.511 119.045 120.500 0.094 0.000 2.960 318 R HA 0.869 5.209 4.340 0.001 0.000 0.249 318 R C -0.829 175.524 176.300 0.088 0.000 1.192 318 R CA -0.801 55.358 56.100 0.098 0.000 1.035 318 R CB 1.837 32.196 30.300 0.099 0.000 1.234 318 R HN 0.810 nan 8.270 nan 0.000 0.493 319 V N 1.130 121.099 119.914 0.092 0.000 2.932 319 V HA 0.296 4.417 4.120 0.001 0.000 0.307 319 V C -2.506 173.635 176.094 0.078 0.000 1.147 319 V CA -1.990 60.357 62.300 0.079 0.000 0.951 319 V CB 2.531 34.401 31.823 0.077 0.000 1.031 319 V HN 0.598 nan 8.190 nan 0.000 0.426 320 P HA 0.200 nan 4.420 nan 0.000 0.271 320 P C -0.380 176.961 177.300 0.069 0.000 1.216 320 P CA 0.011 63.151 63.100 0.067 0.000 0.771 320 P CB 0.491 32.225 31.700 0.056 0.000 0.864 321 E N 1.149 121.394 120.200 0.075 0.000 2.280 321 E HA 0.045 4.396 4.350 0.001 0.000 0.279 321 E C 0.630 177.272 176.600 0.070 0.000 1.325 321 E CA 0.043 56.487 56.400 0.073 0.000 1.486 321 E CB -0.136 29.613 29.700 0.082 0.000 1.466 321 E HN 0.527 nan 8.360 nan 0.000 0.473 322 T N -1.852 112.742 114.554 0.068 0.000 2.983 322 T HA -0.102 4.248 4.350 0.001 0.000 0.250 322 T C 1.914 176.657 174.700 0.072 0.000 1.037 322 T CA -0.045 62.101 62.100 0.076 0.000 1.142 322 T CB -0.028 68.882 68.868 0.069 0.000 0.876 322 T HN 0.278 nan 8.240 nan 0.000 0.455 323 R N 1.377 121.911 120.500 0.057 0.000 2.136 323 R HA -0.161 4.179 4.340 0.001 0.000 0.242 323 R C 2.256 178.587 176.300 0.051 0.000 1.131 323 R CA 2.084 58.213 56.100 0.048 0.000 0.937 323 R CB -1.944 28.378 30.300 0.038 0.000 0.863 323 R HN 0.359 nan 8.270 nan 0.000 0.435 324 T N 0.328 114.910 114.554 0.048 0.000 3.699 324 T HA 0.140 4.491 4.350 0.001 0.000 0.257 324 T C 1.124 175.850 174.700 0.043 0.000 1.155 324 T CA 0.342 62.466 62.100 0.040 0.000 0.987 324 T CB -0.276 68.615 68.868 0.038 0.000 1.028 324 T HN 0.307 nan 8.240 nan 0.000 0.583 325 L N -0.380 120.886 121.223 0.072 0.000 2.840 325 L HA 0.343 4.684 4.340 0.001 0.000 0.249 325 L C 0.634 177.612 176.870 0.179 0.000 1.119 325 L CA -0.263 54.638 54.840 0.101 0.000 0.930 325 L CB 0.160 42.307 42.059 0.147 0.000 1.295 325 L HN 0.109 nan 8.230 nan 0.000 0.534 326 N N 0.803 119.585 118.700 0.136 0.000 2.780 326 N HA -0.186 4.555 4.740 0.001 0.000 0.248 326 N C 0.937 176.540 175.510 0.155 0.000 1.102 326 N CA 0.533 53.655 53.050 0.121 0.000 0.697 326 N CB -1.586 36.971 38.487 0.117 0.000 1.028 326 N HN 0.275 nan 8.380 nan 0.000 0.554 327 L N 0.818 122.142 121.223 0.168 0.000 2.021 327 L HA -0.271 4.070 4.340 0.001 0.000 0.215 327 L C 2.497 179.329 176.870 -0.064 0.000 1.074 327 L CA 2.361 57.260 54.840 0.098 0.000 0.760 327 L CB -0.459 41.657 42.059 0.094 0.000 0.889 327 L HN 0.467 nan 8.230 nan 0.000 0.433 328 E N 1.090 121.274 120.200 -0.025 0.000 2.147 328 E HA -0.286 4.065 4.350 0.001 0.000 0.199 328 E C 1.274 177.834 176.600 -0.067 0.000 1.005 328 E CA 1.555 57.926 56.400 -0.048 0.000 0.810 328 E CB -0.423 29.265 29.700 -0.019 0.000 0.736 328 E HN 0.507 nan 8.360 nan 0.000 0.460 329 K N 0.288 120.663 120.400 -0.041 0.000 2.745 329 K HA 0.255 4.576 4.320 0.001 0.000 0.223 329 K C 0.615 177.164 176.600 -0.084 0.000 1.057 329 K CA 0.374 56.639 56.287 -0.036 0.000 1.217 329 K CB 0.664 33.172 32.500 0.013 0.000 0.993 329 K HN 0.270 nan 8.250 nan 0.000 0.478 330 A N -0.694 122.001 122.820 -0.209 0.000 2.480 330 A HA 0.374 4.695 4.320 0.001 0.000 0.191 330 A C 1.178 178.539 177.584 -0.371 0.000 1.503 330 A CA 0.310 52.108 52.037 -0.399 0.000 1.110 330 A CB 0.525 18.914 19.000 -1.019 0.000 1.401 330 A HN 0.289 nan 8.150 nan 0.000 0.533 331 G N -0.459 108.176 108.800 -0.275 0.000 2.148 331 G HA2 -0.131 3.829 3.960 0.001 0.000 0.203 331 G HA3 -0.131 3.829 3.960 0.001 0.000 0.203 331 G C -0.206 174.559 174.900 -0.225 0.000 0.993 331 G CA 0.073 45.042 45.100 -0.219 0.000 0.661 331 G HN 0.449 nan 8.290 nan 0.000 0.518 332 I N 3.246 123.665 120.570 -0.252 0.000 2.269 332 I HA 0.393 4.563 4.170 0.001 0.000 0.293 332 I C 1.280 177.332 176.117 -0.108 0.000 1.106 332 I CA -0.070 61.117 61.300 -0.189 0.000 1.248 332 I CB 0.906 38.795 38.000 -0.186 0.000 1.444 332 I HN 0.375 nan 8.210 nan 0.000 0.497 333 S N 3.877 119.523 115.700 -0.091 0.000 2.569 333 S HA 0.493 4.964 4.470 0.001 0.000 0.274 333 S C 0.449 175.026 174.600 -0.038 0.000 1.353 333 S CA -0.314 57.851 58.200 -0.059 0.000 1.023 333 S CB 0.648 63.816 63.200 -0.054 0.000 0.876 333 S HN 0.693 nan 8.310 nan 0.000 0.540 334 T N -0.921 113.619 114.554 -0.023 0.000 2.645 334 T HA 0.528 4.879 4.350 0.001 0.000 0.273 334 T C -0.722 173.974 174.700 -0.006 0.000 0.960 334 T CA -1.032 61.064 62.100 -0.008 0.000 1.051 334 T CB 1.013 69.882 68.868 0.003 0.000 1.366 334 T HN 0.712 nan 8.240 nan 0.000 0.536 335 N N 0.525 119.226 118.700 0.001 0.000 2.370 335 N HA 0.460 5.200 4.740 0.001 0.000 0.303 335 N C -2.214 173.300 175.510 0.005 0.000 1.103 335 N CA -2.093 50.958 53.050 0.001 0.000 0.848 335 N CB 1.921 40.410 38.487 0.003 0.000 1.235 335 N HN 0.216 nan 8.380 nan 0.000 0.496 336 P HA -0.009 nan 4.420 nan 0.000 0.206 336 P C 1.009 178.315 177.300 0.010 0.000 1.209 336 P CA 1.465 64.568 63.100 0.006 0.000 0.923 336 P CB 0.363 32.065 31.700 0.004 0.000 0.761 337 K N 0.247 120.654 120.400 0.011 0.000 1.974 337 K HA -0.157 4.164 4.320 0.001 0.000 0.229 337 K C 0.750 177.361 176.600 0.019 0.000 1.038 337 K CA 1.670 57.966 56.287 0.015 0.000 1.034 337 K CB -1.958 30.551 32.500 0.014 0.000 0.742 337 K HN 0.332 nan 8.250 nan 0.000 0.446 338 N N 1.747 120.458 118.700 0.019 0.000 2.475 338 N HA -0.026 4.715 4.740 0.001 0.000 0.267 338 N C 0.149 175.672 175.510 0.023 0.000 1.169 338 N CA 0.105 53.169 53.050 0.024 0.000 0.947 338 N CB 0.730 39.231 38.487 0.022 0.000 1.061 338 N HN 0.161 nan 8.380 nan 0.000 0.466 339 Q N 0.601 120.418 119.800 0.028 0.000 2.557 339 Q HA -0.026 4.315 4.340 0.001 0.000 0.217 339 Q C -0.089 175.930 176.000 0.031 0.000 0.978 339 Q CA 0.401 56.221 55.803 0.028 0.000 0.950 339 Q CB 0.051 28.809 28.738 0.033 0.000 0.991 339 Q HN 0.584 nan 8.270 nan 0.000 0.533 340 K N 0.706 121.123 120.400 0.028 0.000 2.402 340 K HA -0.000 4.320 4.320 0.001 0.000 0.265 340 K C 0.183 176.798 176.600 0.025 0.000 0.978 340 K CA 0.216 56.520 56.287 0.028 0.000 0.913 340 K CB 0.536 33.047 32.500 0.018 0.000 0.954 340 K HN 0.118 nan 8.250 nan 0.000 0.511 341 I N 3.354 123.942 120.570 0.031 0.000 2.379 341 I HA 0.035 4.206 4.170 0.001 0.000 0.290 341 I C 0.923 177.046 176.117 0.011 0.000 1.063 341 I CA -0.236 61.081 61.300 0.027 0.000 1.351 341 I CB 0.166 38.195 38.000 0.049 0.000 1.410 341 I HN 0.598 nan 8.210 nan 0.000 0.505 342 I N 7.425 127.994 120.570 -0.002 0.000 2.880 342 I HA 0.023 4.194 4.170 0.001 0.000 0.296 342 I C -0.383 175.728 176.117 -0.010 0.000 1.220 342 I CA 0.698 61.992 61.300 -0.010 0.000 1.435 342 I CB 0.902 38.891 38.000 -0.018 0.000 1.339 342 I HN 0.348 nan 8.210 nan 0.000 0.583 343 V N 6.964 126.873 119.914 -0.009 0.000 3.167 343 V HA 0.347 4.467 4.120 0.001 0.000 0.310 343 V C -0.089 176.009 176.094 0.007 0.000 1.207 343 V CA -0.581 61.720 62.300 0.002 0.000 1.059 343 V CB 2.022 33.855 31.823 0.016 0.000 1.079 343 V HN 0.916 nan 8.190 nan 0.000 0.446 344 D N 0.788 121.205 120.400 0.029 0.000 2.197 344 D HA 0.498 5.138 4.640 0.001 0.000 0.290 344 D C 0.409 176.745 176.300 0.060 0.000 1.145 344 D CA 0.708 54.732 54.000 0.040 0.000 1.061 344 D CB 1.575 42.410 40.800 0.059 0.000 1.151 344 D HN 0.647 nan 8.370 nan 0.000 0.504 345 A N -0.875 121.994 122.820 0.083 0.000 2.653 345 A HA 0.122 4.443 4.320 0.001 0.000 0.248 345 A C 0.861 178.515 177.584 0.117 0.000 1.211 345 A CA -0.104 51.994 52.037 0.102 0.000 0.991 345 A CB 0.475 19.520 19.000 0.076 0.000 1.252 345 A HN 0.326 nan 8.150 nan 0.000 0.593 346 Q N -0.314 119.564 119.800 0.129 0.000 2.159 346 Q HA 0.173 4.514 4.340 0.001 0.000 0.217 346 Q C -0.563 175.572 176.000 0.225 0.000 0.818 346 Q CA 0.067 55.960 55.803 0.151 0.000 1.008 346 Q CB 0.786 29.630 28.738 0.178 0.000 1.148 346 Q HN 0.563 nan 8.270 nan 0.000 0.491 347 E N -0.722 119.602 120.200 0.207 0.000 3.496 347 E HA -0.208 4.143 4.350 0.001 0.000 0.300 347 E C -0.296 176.504 176.600 0.334 0.000 0.877 347 E CA 0.865 57.403 56.400 0.231 0.000 1.050 347 E CB -1.289 28.530 29.700 0.199 0.000 1.532 347 E HN 0.501 nan 8.360 nan 0.000 0.447 348 A N 0.247 123.236 122.820 0.282 0.000 2.322 348 A HA 0.643 4.964 4.320 0.001 0.000 0.269 348 A C 1.099 178.626 177.584 -0.095 0.000 1.094 348 A CA 0.286 52.298 52.037 -0.041 0.000 0.807 348 A CB 0.543 19.461 19.000 -0.137 0.000 1.047 348 A HN 0.280 nan 8.150 nan 0.000 0.487 349 T N -1.715 112.713 114.554 -0.209 0.000 2.861 349 T HA 0.352 4.703 4.350 0.001 0.000 0.265 349 T C 1.448 176.054 174.700 -0.156 0.000 1.104 349 T CA 0.521 62.539 62.100 -0.137 0.000 0.987 349 T CB -0.256 68.536 68.868 -0.127 0.000 2.051 349 T HN 0.992 nan 8.240 nan 0.000 0.570 350 S N -0.424 115.186 115.700 -0.151 0.000 2.436 350 S HA 0.106 4.577 4.470 0.001 0.000 0.228 350 S C 0.826 175.313 174.600 -0.188 0.000 1.014 350 S CA -0.059 58.056 58.200 -0.142 0.000 0.950 350 S CB -0.539 62.588 63.200 -0.122 0.000 0.784 350 S HN 0.530 nan 8.310 nan 0.000 0.504 351 V N 3.789 123.541 119.914 -0.270 0.000 2.258 351 V HA 0.285 4.405 4.120 0.001 0.000 0.258 351 V C -1.818 174.016 176.094 -0.433 0.000 1.121 351 V CA -1.680 60.395 62.300 -0.374 0.000 0.942 351 V CB 0.362 31.868 31.823 -0.528 0.000 1.170 351 V HN 0.140 nan 8.190 nan 0.000 0.487 352 P HA -0.229 nan 4.420 nan 0.000 0.220 352 P C 0.967 178.136 177.300 -0.219 0.000 1.146 352 P CA 1.761 64.723 63.100 -0.230 0.000 0.816 352 P CB -0.069 31.592 31.700 -0.065 0.000 0.764 353 H N -4.005 114.982 119.070 -0.137 0.000 2.594 353 H HA 0.395 4.952 4.556 0.001 0.000 0.279 353 H C 0.361 175.733 175.328 0.073 0.000 1.042 353 H CA -0.452 55.627 56.048 0.052 0.000 1.177 353 H CB -0.402 29.387 29.762 0.045 0.000 1.524 353 H HN 0.045 nan 8.280 nan 0.000 0.537 354 I N 1.571 121.906 120.570 -0.391 0.000 2.509 354 I HA 0.329 4.499 4.170 0.001 0.000 0.293 354 I C -1.186 174.727 176.117 -0.341 0.000 1.020 354 I CA -1.055 60.156 61.300 -0.149 0.000 1.088 354 I CB 1.460 39.339 38.000 -0.203 0.000 1.267 354 I HN 0.077 nan 8.210 nan 0.000 0.430 355 Y N 3.651 124.019 120.300 0.113 0.000 2.665 355 Y HA 0.834 5.385 4.550 0.001 0.000 0.336 355 Y C 0.012 175.966 175.900 0.090 0.000 1.085 355 Y CA -1.050 57.101 58.100 0.086 0.000 1.096 355 Y CB 1.749 40.259 38.460 0.084 0.000 1.301 355 Y HN 0.501 nan 8.280 nan 0.000 0.493 356 A N 1.126 124.092 122.820 0.244 0.000 2.449 356 A HA 0.896 5.216 4.320 0.001 0.000 0.302 356 A C -1.551 176.112 177.584 0.132 0.000 1.048 356 A CA -0.578 51.555 52.037 0.159 0.000 0.708 356 A CB 1.086 20.152 19.000 0.110 0.000 1.274 356 A HN 0.641 nan 8.150 nan 0.000 0.410 357 I N 1.091 121.723 120.570 0.104 0.000 2.722 357 I HA 0.641 4.811 4.170 0.001 0.000 0.295 357 I C 0.681 176.839 176.117 0.067 0.000 1.161 357 I CA 0.200 61.552 61.300 0.087 0.000 1.032 357 I CB 2.350 40.398 38.000 0.079 0.000 1.244 357 I HN 1.440 nan 8.210 nan 0.000 0.421 358 G N 4.352 113.190 108.800 0.063 0.000 2.499 358 G HA2 -0.240 3.721 3.960 0.001 0.000 0.232 358 G HA3 -0.240 3.721 3.960 0.001 0.000 0.232 358 G C 0.082 175.002 174.900 0.033 0.000 1.251 358 G CA 0.287 45.416 45.100 0.049 0.000 0.917 358 G HN 0.619 nan 8.290 nan 0.000 0.580 359 D N 0.157 120.579 120.400 0.036 0.000 2.311 359 D HA 0.006 4.646 4.640 0.001 0.000 0.212 359 D C 2.535 178.858 176.300 0.039 0.000 0.972 359 D CA 1.532 55.554 54.000 0.036 0.000 0.887 359 D CB -0.134 40.694 40.800 0.047 0.000 0.915 359 D HN 0.515 nan 8.370 nan 0.000 0.497 360 V N 0.254 120.194 119.914 0.044 0.000 2.346 360 V HA 0.013 4.133 4.120 0.001 0.000 0.244 360 V C 1.352 177.469 176.094 0.038 0.000 1.037 360 V CA 0.870 63.200 62.300 0.050 0.000 1.029 360 V CB -0.957 30.905 31.823 0.065 0.000 0.663 360 V HN 0.179 nan 8.190 nan 0.000 0.454 361 A N 1.455 124.293 122.820 0.030 0.000 2.454 361 A HA 0.221 4.541 4.320 0.001 0.000 0.260 361 A C 0.461 178.031 177.584 -0.022 0.000 1.106 361 A CA 0.002 52.045 52.037 0.011 0.000 0.780 361 A CB -0.061 18.947 19.000 0.013 0.000 1.044 361 A HN 0.373 nan 8.150 nan 0.000 0.498 362 E N 1.618 121.806 120.200 -0.019 0.000 2.360 362 E HA 0.349 4.700 4.350 0.001 0.000 0.269 362 E C 1.210 177.773 176.600 -0.063 0.000 1.022 362 E CA 1.302 57.684 56.400 -0.030 0.000 0.887 362 E CB 0.778 30.469 29.700 -0.015 0.000 0.990 362 E HN 1.379 nan 8.360 nan 0.000 0.426 363 G N 4.437 113.193 108.800 -0.073 0.000 2.232 363 G HA2 -0.237 3.724 3.960 0.001 0.000 0.226 363 G HA3 -0.237 3.724 3.960 0.001 0.000 0.226 363 G C 0.230 175.019 174.900 -0.186 0.000 0.996 363 G CA 0.177 45.215 45.100 -0.104 0.000 0.626 363 G HN 0.489 nan 8.290 nan 0.000 0.509 364 R N 1.688 122.052 120.500 -0.228 0.000 2.457 364 R HA 0.586 4.927 4.340 0.001 0.000 0.284 364 R C -2.163 174.036 176.300 -0.167 0.000 1.024 364 R CA -1.904 53.981 56.100 -0.358 0.000 1.025 364 R CB 0.534 30.595 30.300 -0.399 0.000 1.063 364 R HN 0.201 nan 8.270 nan 0.000 0.493 365 P HA 0.044 nan 4.420 nan 0.000 0.271 365 P C -0.984 176.326 177.300 0.015 0.000 1.226 365 P CA -0.086 63.008 63.100 -0.009 0.000 0.765 365 P CB 0.631 32.361 31.700 0.049 0.000 0.835 366 E N 3.365 123.577 120.200 0.019 0.000 2.323 366 E HA 0.140 4.490 4.350 0.001 0.000 0.313 366 E C 0.245 176.847 176.600 0.004 0.000 1.236 366 E CA 0.000 56.412 56.400 0.018 0.000 1.333 366 E CB -0.270 29.446 29.700 0.027 0.000 1.138 366 E HN 0.456 nan 8.360 nan 0.000 0.492 367 L N -0.770 120.463 121.223 0.018 0.000 2.293 367 L HA 0.339 4.679 4.340 0.001 0.000 0.264 367 L C 1.316 178.194 176.870 0.014 0.000 1.029 367 L CA -0.592 54.251 54.840 0.004 0.000 0.897 367 L CB 1.502 43.576 42.059 0.025 0.000 1.497 367 L HN 0.071 nan 8.230 nan 0.000 0.495 368 T N -0.984 113.577 114.554 0.010 0.000 3.045 368 T HA 0.103 4.453 4.350 0.001 0.000 0.239 368 T C -1.407 173.303 174.700 0.017 0.000 1.008 368 T CA 0.419 62.524 62.100 0.009 0.000 1.143 368 T CB -0.294 68.572 68.868 -0.004 0.000 0.894 368 T HN 0.310 nan 8.240 nan 0.000 0.451 369 P HA -0.141 nan 4.420 nan 0.000 0.214 369 P C 1.752 179.065 177.300 0.020 0.000 1.163 369 P CA 1.865 64.974 63.100 0.014 0.000 0.889 369 P CB -0.413 31.297 31.700 0.015 0.000 0.790 370 T N -1.956 112.626 114.554 0.048 0.000 2.759 370 T HA -0.176 4.175 4.350 0.001 0.000 0.269 370 T C 1.913 176.674 174.700 0.101 0.000 1.042 370 T CA 1.439 63.593 62.100 0.089 0.000 1.140 370 T CB -1.328 67.663 68.868 0.206 0.000 0.864 370 T HN 0.046 nan 8.240 nan 0.000 0.455 371 A N 1.942 124.807 122.820 0.075 0.000 1.851 371 A HA 0.022 4.343 4.320 0.001 0.000 0.216 371 A C 2.425 180.029 177.584 0.033 0.000 1.195 371 A CA 1.570 53.643 52.037 0.060 0.000 0.622 371 A CB -0.944 18.076 19.000 0.034 0.000 0.831 371 A HN 0.541 nan 8.150 nan 0.000 0.444 372 I N -0.606 119.972 120.570 0.013 0.000 2.099 372 I HA -0.307 3.863 4.170 0.001 0.000 0.239 372 I C 2.621 178.729 176.117 -0.014 0.000 1.066 372 I CA 2.138 63.435 61.300 -0.004 0.000 1.324 372 I CB -0.392 37.604 38.000 -0.006 0.000 1.037 372 I HN 0.420 nan 8.210 nan 0.000 0.401 373 K N 1.350 121.738 120.400 -0.021 0.000 2.032 373 K HA -0.215 4.106 4.320 0.001 0.000 0.209 373 K C 2.164 178.730 176.600 -0.056 0.000 1.048 373 K CA 1.772 58.030 56.287 -0.047 0.000 0.927 373 K CB -0.243 32.215 32.500 -0.069 0.000 0.712 373 K HN 0.302 nan 8.250 nan 0.000 0.441 374 A N 0.380 123.180 122.820 -0.033 0.000 2.032 374 A HA -0.116 4.205 4.320 0.001 0.000 0.221 374 A C 2.251 179.825 177.584 -0.016 0.000 1.165 374 A CA 2.026 54.059 52.037 -0.006 0.000 0.645 374 A CB -1.148 17.924 19.000 0.120 0.000 0.807 374 A HN 0.602 nan 8.150 nan 0.000 0.453 375 G N -0.593 108.196 108.800 -0.018 0.000 2.404 375 G HA2 -0.146 3.815 3.960 0.001 0.000 0.213 375 G HA3 -0.146 3.815 3.960 0.001 0.000 0.213 375 G C 1.655 176.516 174.900 -0.066 0.000 1.189 375 G CA 0.875 45.954 45.100 -0.035 0.000 0.796 375 G HN 0.516 nan 8.290 nan 0.000 0.532 376 K N -0.015 120.350 120.400 -0.058 0.000 1.987 376 K HA -0.052 4.268 4.320 0.001 0.000 0.216 376 K C 2.563 179.105 176.600 -0.096 0.000 1.051 376 K CA 1.283 57.530 56.287 -0.067 0.000 0.942 376 K CB -0.543 31.925 32.500 -0.053 0.000 0.722 376 K HN 0.219 nan 8.250 nan 0.000 0.444 377 L N 0.768 121.934 121.223 -0.095 0.000 1.997 377 L HA -0.272 4.069 4.340 0.001 0.000 0.216 377 L C 2.613 179.390 176.870 -0.155 0.000 1.074 377 L CA 0.986 55.759 54.840 -0.111 0.000 0.763 377 L CB -0.612 41.385 42.059 -0.103 0.000 0.890 377 L HN 0.241 nan 8.230 nan 0.000 0.434 378 L N 0.427 121.551 121.223 -0.165 0.000 1.990 378 L HA -0.226 4.115 4.340 0.001 0.000 0.213 378 L C 2.549 179.195 176.870 -0.374 0.000 1.072 378 L CA 2.209 56.892 54.840 -0.260 0.000 0.755 378 L CB -0.690 41.224 42.059 -0.243 0.000 0.889 378 L HN 0.186 nan 8.230 nan 0.000 0.432 379 A N -1.749 120.886 122.820 -0.309 0.000 2.178 379 A HA -0.186 4.135 4.320 0.001 0.000 0.218 379 A C 2.100 179.455 177.584 -0.383 0.000 1.157 379 A CA 1.657 53.466 52.037 -0.381 0.000 0.689 379 A CB -0.439 18.462 19.000 -0.165 0.000 0.787 379 A HN 0.731 nan 8.150 nan 0.000 0.465 380 Q N -1.441 118.198 119.800 -0.269 0.000 2.349 380 Q HA 0.115 4.456 4.340 0.001 0.000 0.209 380 Q C 2.118 177.993 176.000 -0.207 0.000 0.920 380 Q CA 0.296 55.986 55.803 -0.188 0.000 0.901 380 Q CB 0.143 28.813 28.738 -0.113 0.000 1.021 380 Q HN 0.590 nan 8.270 nan 0.000 0.519 381 R N 0.202 120.559 120.500 -0.238 0.000 2.148 381 R HA -0.029 4.312 4.340 0.001 0.000 0.227 381 R C 1.946 178.093 176.300 -0.256 0.000 1.103 381 R CA 0.861 56.844 56.100 -0.194 0.000 0.983 381 R CB -0.003 30.197 30.300 -0.166 0.000 0.874 381 R HN 0.207 nan 8.270 nan 0.000 0.451 382 L N -0.850 120.075 121.223 -0.497 0.000 2.022 382 L HA -0.011 4.330 4.340 0.001 0.000 0.204 382 L C 0.700 177.316 176.870 -0.422 0.000 1.076 382 L CA 1.039 55.473 54.840 -0.676 0.000 0.749 382 L CB -0.056 41.129 42.059 -1.456 0.000 0.903 382 L HN 0.116 nan 8.230 nan 0.000 0.439 383 F N -1.032 118.851 119.950 -0.111 0.000 2.855 383 F HA 0.459 4.987 4.527 0.001 0.000 0.317 383 F C 1.074 176.848 175.800 -0.044 0.000 1.169 383 F CA -0.646 57.314 58.000 -0.067 0.000 1.299 383 F CB -0.362 38.602 39.000 -0.062 0.000 0.962 383 F HN -0.102 nan 8.300 nan 0.000 0.506 384 G N -0.366 108.438 108.800 0.008 0.000 3.215 384 G HA2 0.133 4.093 3.960 0.001 0.000 0.236 384 G HA3 0.133 4.093 3.960 0.001 0.000 0.236 384 G C 0.761 175.658 174.900 -0.004 0.000 1.029 384 G CA -0.421 44.683 45.100 0.006 0.000 0.909 384 G HN 0.170 nan 8.290 nan 0.000 0.543 385 K N -0.050 120.344 120.400 -0.009 0.000 3.291 385 K HA -0.172 4.148 4.320 0.001 0.000 0.290 385 K C 0.310 176.899 176.600 -0.019 0.000 1.235 385 K CA 0.658 56.942 56.287 -0.004 0.000 0.848 385 K CB -1.764 30.742 32.500 0.010 0.000 1.295 385 K HN 0.376 nan 8.250 nan 0.000 0.497 386 S N 0.173 115.849 115.700 -0.041 0.000 2.585 386 S HA 0.422 4.892 4.470 0.001 0.000 0.277 386 S C 1.086 175.660 174.600 -0.043 0.000 1.241 386 S CA 0.128 58.301 58.200 -0.044 0.000 1.041 386 S CB 1.478 64.640 63.200 -0.063 0.000 0.987 386 S HN 0.349 nan 8.310 nan 0.000 0.512 387 S N 1.668 117.349 115.700 -0.032 0.000 2.554 387 S HA 0.119 4.589 4.470 0.001 0.000 0.227 387 S C 0.633 175.217 174.600 -0.026 0.000 1.050 387 S CA 0.330 58.516 58.200 -0.023 0.000 0.927 387 S CB -0.825 62.369 63.200 -0.010 0.000 0.859 387 S HN 0.914 nan 8.310 nan 0.000 0.494 388 T N 2.436 116.970 114.554 -0.034 0.000 2.866 388 T HA 0.397 4.748 4.350 0.001 0.000 0.293 388 T C 0.269 174.941 174.700 -0.048 0.000 1.005 388 T CA -0.291 61.786 62.100 -0.038 0.000 1.162 388 T CB -0.077 68.764 68.868 -0.045 0.000 0.968 388 T HN 0.323 nan 8.240 nan 0.000 0.530 389 L N 2.022 123.221 121.223 -0.041 0.000 2.569 389 L HA 0.598 4.939 4.340 0.001 0.000 0.247 389 L C 0.684 177.500 176.870 -0.091 0.000 1.135 389 L CA -1.552 53.263 54.840 -0.043 0.000 0.812 389 L CB 0.687 42.742 42.059 -0.006 0.000 1.431 389 L HN 0.597 nan 8.230 nan 0.000 0.499 390 M N 1.345 120.870 119.600 -0.126 0.000 2.108 390 M HA 0.169 4.649 4.480 0.001 0.000 0.354 390 M C -0.626 175.418 176.300 -0.426 0.000 1.229 390 M CA -0.143 54.962 55.300 -0.325 0.000 1.081 390 M CB 0.434 32.766 32.600 -0.447 0.000 1.606 390 M HN 0.263 nan 8.290 nan 0.000 0.467 391 D N 4.220 124.404 120.400 -0.360 0.000 2.365 391 D HA 0.048 4.689 4.640 0.001 0.000 0.237 391 D C -0.747 175.379 176.300 -0.291 0.000 1.190 391 D CA 0.147 54.014 54.000 -0.223 0.000 0.867 391 D CB 0.242 40.970 40.800 -0.119 0.000 1.050 391 D HN 0.671 nan 8.370 nan 0.000 0.491 392 Y N 1.365 121.667 120.300 0.004 0.000 2.532 392 Y HA 0.076 4.626 4.550 0.001 0.000 0.283 392 Y C 1.189 177.092 175.900 0.004 0.000 1.181 392 Y CA -0.444 57.659 58.100 0.004 0.000 1.256 392 Y CB 0.048 38.512 38.460 0.006 0.000 1.112 392 Y HN 0.197 nan 8.280 nan 0.000 0.521 393 S N -0.522 115.237 115.700 0.099 0.000 2.616 393 S HA 0.202 4.673 4.470 0.001 0.000 0.277 393 S C 0.488 175.115 174.600 0.046 0.000 1.234 393 S CA -0.781 57.462 58.200 0.072 0.000 1.028 393 S CB 0.804 64.036 63.200 0.054 0.000 0.988 393 S HN 0.448 nan 8.310 nan 0.000 0.522 394 N N -0.572 118.152 118.700 0.041 0.000 2.696 394 N HA -0.144 4.596 4.740 0.001 0.000 0.249 394 N C 0.200 175.723 175.510 0.022 0.000 1.090 394 N CA 0.996 54.062 53.050 0.027 0.000 0.716 394 N CB -1.988 36.514 38.487 0.024 0.000 1.020 394 N HN 1.041 nan 8.380 nan 0.000 0.548 395 V N -0.814 119.120 119.914 0.034 0.000 2.585 395 V HA 0.399 4.520 4.120 0.001 0.000 0.296 395 V C -1.100 175.007 176.094 0.021 0.000 1.035 395 V CA -1.125 61.195 62.300 0.032 0.000 1.084 395 V CB 0.833 32.693 31.823 0.061 0.000 0.953 395 V HN 0.029 nan 8.190 nan 0.000 0.483 396 P HA 0.467 nan 4.420 nan 0.000 0.277 396 P C -0.300 177.009 177.300 0.014 0.000 1.271 396 P CA -0.031 63.069 63.100 0.000 0.000 0.795 396 P CB 1.673 33.370 31.700 -0.005 0.000 1.101 397 T N -1.634 112.919 114.554 -0.001 0.000 2.749 397 T HA 0.505 4.856 4.350 0.001 0.000 0.310 397 T C -1.712 172.940 174.700 -0.080 0.000 1.496 397 T CA -0.285 61.830 62.100 0.024 0.000 1.006 397 T CB 0.902 69.867 68.868 0.162 0.000 1.457 397 T HN 0.423 nan 8.240 nan 0.000 0.497 398 T N 1.781 116.246 114.554 -0.148 0.000 3.071 398 T HA 0.461 4.812 4.350 0.001 0.000 0.311 398 T C -0.973 173.425 174.700 -0.504 0.000 1.042 398 T CA -0.462 61.380 62.100 -0.430 0.000 1.028 398 T CB 1.447 69.909 68.868 -0.678 0.000 1.068 398 T HN 0.526 nan 8.240 nan 0.000 0.451 399 V N 4.266 123.949 119.914 -0.386 0.000 2.339 399 V HA 0.248 4.369 4.120 0.001 0.000 0.261 399 V C 0.025 175.952 176.094 -0.278 0.000 1.058 399 V CA -0.396 61.798 62.300 -0.176 0.000 0.897 399 V CB -0.463 31.206 31.823 -0.257 0.000 1.052 399 V HN 0.864 nan 8.190 nan 0.000 0.480 400 F N 3.539 123.463 119.950 -0.044 0.000 2.730 400 F HA 0.076 4.603 4.527 0.001 0.000 0.333 400 F C 1.719 177.261 175.800 -0.430 0.000 1.215 400 F CA -0.231 57.601 58.000 -0.280 0.000 1.388 400 F CB -0.987 37.798 39.000 -0.359 0.000 1.418 400 F HN 0.560 nan 8.300 nan 0.000 0.576 401 T N -2.913 111.601 114.554 -0.066 0.000 2.754 401 T HA 0.153 4.504 4.350 0.001 0.000 0.286 401 T C -1.354 173.409 174.700 0.105 0.000 0.997 401 T CA -1.660 60.445 62.100 0.008 0.000 0.982 401 T CB 0.776 69.655 68.868 0.018 0.000 1.027 401 T HN -0.092 nan 8.240 nan 0.000 0.529 402 P HA -0.063 nan 4.420 nan 0.000 0.218 402 P C 0.151 177.465 177.300 0.024 0.000 1.154 402 P CA 0.873 64.082 63.100 0.181 0.000 0.872 402 P CB -0.010 31.805 31.700 0.191 0.000 0.790 403 L N -0.196 120.897 121.223 -0.218 0.000 2.316 403 L HA 0.258 4.598 4.340 0.001 0.000 0.280 403 L C -0.325 176.527 176.870 -0.031 0.000 1.006 403 L CA -0.794 53.896 54.840 -0.251 0.000 0.836 403 L CB 0.808 42.471 42.059 -0.660 0.000 1.221 403 L HN -0.170 nan 8.230 nan 0.000 0.418 404 E N 4.081 124.343 120.200 0.102 0.000 2.417 404 E HA -0.010 4.341 4.350 0.001 0.000 0.261 404 E C -1.366 175.325 176.600 0.151 0.000 1.000 404 E CA 0.223 56.680 56.400 0.094 0.000 0.919 404 E CB 0.472 30.263 29.700 0.153 0.000 0.955 404 E HN 0.412 nan 8.360 nan 0.000 0.455 405 Y N 2.919 123.171 120.300 -0.080 0.000 2.417 405 Y HA 0.470 5.020 4.550 0.001 0.000 0.336 405 Y C -0.117 175.763 175.900 -0.034 0.000 0.961 405 Y CA -1.350 56.726 58.100 -0.039 0.000 1.215 405 Y CB 0.717 39.106 38.460 -0.119 0.000 1.120 405 Y HN 0.453 nan 8.280 nan 0.000 0.499 406 G N 3.928 112.809 108.800 0.136 0.000 2.410 406 G HA2 0.621 4.581 3.960 0.001 0.000 0.330 406 G HA3 0.621 4.581 3.960 0.001 0.000 0.330 406 G C -1.222 173.625 174.900 -0.087 0.000 1.142 406 G CA -0.258 44.792 45.100 -0.083 0.000 0.902 406 G HN 1.157 nan 8.290 nan 0.000 0.491 407 C N -1.066 118.124 119.300 -0.184 0.000 3.303 407 C HA 0.833 5.294 4.460 0.001 0.000 0.340 407 C C -0.884 174.016 174.990 -0.149 0.000 1.274 407 C CA -0.946 57.947 59.018 -0.209 0.000 1.234 407 C CB 1.010 28.599 27.740 -0.250 0.000 1.532 407 C HN 0.967 nan 8.230 nan 0.000 0.483 408 V N 0.946 120.752 119.914 -0.179 0.000 3.120 408 V HA 0.968 5.088 4.120 0.001 0.000 0.303 408 V C 0.795 176.841 176.094 -0.080 0.000 1.238 408 V CA 0.642 62.892 62.300 -0.083 0.000 1.008 408 V CB 0.813 32.617 31.823 -0.032 0.000 1.064 408 V HN 2.746 nan 8.190 nan 0.000 0.434 409 G N 1.931 110.718 108.800 -0.021 0.000 2.539 409 G HA2 -0.169 3.792 3.960 0.001 0.000 0.256 409 G HA3 -0.169 3.792 3.960 0.001 0.000 0.256 409 G C -0.584 174.344 174.900 0.047 0.000 1.233 409 G CA 0.077 45.186 45.100 0.014 0.000 0.936 409 G HN 0.904 nan 8.290 nan 0.000 0.571 410 L N 0.947 122.225 121.223 0.092 0.000 2.399 410 L HA 0.593 4.934 4.340 0.001 0.000 0.265 410 L C 1.190 178.229 176.870 0.282 0.000 1.089 410 L CA -0.141 54.780 54.840 0.136 0.000 0.802 410 L CB 1.618 43.736 42.059 0.098 0.000 1.180 410 L HN 0.939 nan 8.230 nan 0.000 0.454 411 S N -1.020 114.803 115.700 0.204 0.000 2.608 411 S HA 0.194 4.664 4.470 0.001 0.000 0.291 411 S C 0.671 175.272 174.600 0.002 0.000 1.146 411 S CA -0.778 57.492 58.200 0.117 0.000 1.043 411 S CB 1.966 65.235 63.200 0.114 0.000 1.037 411 S HN 0.744 nan 8.310 nan 0.000 0.520 412 E N 1.559 121.695 120.200 -0.107 0.000 2.113 412 E HA -0.321 4.030 4.350 0.001 0.000 0.210 412 E C 1.853 178.433 176.600 -0.034 0.000 1.040 412 E CA 2.288 58.642 56.400 -0.078 0.000 0.847 412 E CB -0.203 29.436 29.700 -0.103 0.000 0.755 412 E HN 0.839 nan 8.360 nan 0.000 0.459 413 E N 0.583 120.769 120.200 -0.024 0.000 2.023 413 E HA -0.272 4.079 4.350 0.001 0.000 0.196 413 E C 1.955 178.563 176.600 0.015 0.000 1.003 413 E CA 1.747 58.144 56.400 -0.005 0.000 0.809 413 E CB -0.770 28.929 29.700 -0.001 0.000 0.755 413 E HN 0.507 nan 8.360 nan 0.000 0.449 414 E N 1.339 121.555 120.200 0.027 0.000 2.171 414 E HA -0.187 4.163 4.350 0.001 0.000 0.197 414 E C 2.108 178.750 176.600 0.070 0.000 0.997 414 E CA 1.273 57.699 56.400 0.043 0.000 0.810 414 E CB -0.254 29.476 29.700 0.049 0.000 0.738 414 E HN 0.430 nan 8.360 nan 0.000 0.467 415 A N 1.329 124.186 122.820 0.061 0.000 1.855 415 A HA -0.138 4.182 4.320 0.001 0.000 0.215 415 A C 2.598 180.247 177.584 0.109 0.000 1.191 415 A CA 1.565 53.649 52.037 0.078 0.000 0.613 415 A CB -0.936 18.063 19.000 -0.001 0.000 0.829 415 A HN 0.240 nan 8.150 nan 0.000 0.442 416 V N -1.953 117.988 119.914 0.045 0.000 2.343 416 V HA -0.093 4.027 4.120 0.001 0.000 0.247 416 V C 2.515 178.641 176.094 0.054 0.000 1.051 416 V CA 1.972 64.296 62.300 0.039 0.000 1.036 416 V CB -1.565 30.256 31.823 -0.003 0.000 0.654 416 V HN 0.577 nan 8.190 nan 0.000 0.451 417 A N 0.396 123.242 122.820 0.044 0.000 1.958 417 A HA -0.180 4.140 4.320 0.001 0.000 0.221 417 A C 2.164 179.766 177.584 0.030 0.000 1.178 417 A CA 2.670 54.724 52.037 0.029 0.000 0.642 417 A CB -0.672 18.343 19.000 0.025 0.000 0.816 417 A HN 0.589 nan 8.150 nan 0.000 0.453 418 L N -2.589 118.678 121.223 0.074 0.000 2.253 418 L HA 0.100 4.440 4.340 0.001 0.000 0.205 418 L C 1.800 178.590 176.870 -0.133 0.000 1.078 418 L CA 1.415 56.245 54.840 -0.017 0.000 0.805 418 L CB -0.145 41.911 42.059 -0.006 0.000 0.963 418 L HN 0.518 nan 8.230 nan 0.000 0.459 419 H N -1.265 117.822 119.070 0.027 0.000 2.827 419 H HA 0.585 5.142 4.556 0.001 0.000 0.269 419 H C 0.618 175.971 175.328 0.042 0.000 1.031 419 H CA -0.105 55.980 56.048 0.061 0.000 1.202 419 H CB 0.361 30.170 29.762 0.078 0.000 1.511 419 H HN 0.120 nan 8.280 nan 0.000 0.517 420 G N 1.468 110.330 108.800 0.104 0.000 2.862 420 G HA2 -0.270 3.690 3.960 0.001 0.000 0.686 420 G HA3 -0.270 3.690 3.960 0.001 0.000 0.686 420 G C 0.599 175.483 174.900 -0.027 0.000 1.134 420 G CA 0.024 45.119 45.100 -0.007 0.000 0.791 420 G HN 0.299 nan 8.290 nan 0.000 0.592 421 Q N 0.933 120.704 119.800 -0.049 0.000 2.268 421 Q HA -0.194 4.146 4.340 0.001 0.000 0.210 421 Q C 2.322 178.278 176.000 -0.073 0.000 0.988 421 Q CA 2.625 58.394 55.803 -0.056 0.000 0.883 421 Q CB -0.026 28.678 28.738 -0.056 0.000 0.911 421 Q HN 1.003 nan 8.270 nan 0.000 0.430 422 E N -1.781 118.338 120.200 -0.134 0.000 2.358 422 E HA -0.142 4.208 4.350 0.001 0.000 0.195 422 E C 0.278 176.859 176.600 -0.032 0.000 1.010 422 E CA 0.762 57.070 56.400 -0.154 0.000 0.856 422 E CB -0.192 29.337 29.700 -0.285 0.000 0.795 422 E HN 0.595 nan 8.360 nan 0.000 0.504 423 H N 0.027 119.095 119.070 -0.004 0.000 2.512 423 H HA 0.354 4.910 4.556 0.001 0.000 0.276 423 H C -0.935 174.369 175.328 -0.040 0.000 1.126 423 H CA -0.721 55.327 56.048 -0.000 0.000 1.060 423 H CB 1.294 31.086 29.762 0.049 0.000 1.646 423 H HN -0.076 nan 8.280 nan 0.000 0.571 424 V N 0.990 120.921 119.914 0.027 0.000 2.656 424 V HA 0.226 4.346 4.120 0.001 0.000 0.307 424 V C -0.469 175.541 176.094 -0.139 0.000 1.051 424 V CA -0.842 61.412 62.300 -0.076 0.000 0.893 424 V CB 2.695 34.468 31.823 -0.083 0.000 0.999 424 V HN 0.230 nan 8.190 nan 0.000 0.426 425 E N 2.645 122.715 120.200 -0.216 0.000 2.212 425 E HA 0.758 5.108 4.350 0.001 0.000 0.268 425 E C -1.652 174.647 176.600 -0.502 0.000 0.902 425 E CA -0.418 55.759 56.400 -0.372 0.000 0.779 425 E CB 2.144 31.599 29.700 -0.409 0.000 1.172 425 E HN 0.397 nan 8.360 nan 0.000 0.409 426 V N 4.638 124.173 119.914 -0.632 0.000 2.577 426 V HA 0.402 4.522 4.120 0.001 0.000 0.303 426 V C -1.350 174.302 176.094 -0.738 0.000 1.042 426 V CA -0.788 61.169 62.300 -0.573 0.000 0.872 426 V CB 1.061 32.666 31.823 -0.364 0.000 0.998 426 V HN 0.606 nan 8.190 nan 0.000 0.423 427 Y N 4.315 124.456 120.300 -0.266 0.000 2.335 427 Y HA 0.691 5.241 4.550 0.001 0.000 0.338 427 Y C 0.578 176.404 175.900 -0.123 0.000 0.977 427 Y CA -0.673 57.299 58.100 -0.214 0.000 1.114 427 Y CB 1.286 39.614 38.460 -0.221 0.000 1.182 427 Y HN 0.837 nan 8.280 nan 0.000 0.463 428 H N 0.326 119.380 119.070 -0.027 0.000 2.906 428 H HA 1.032 5.589 4.556 0.001 0.000 0.337 428 H C -1.462 173.741 175.328 -0.209 0.000 1.257 428 H CA -1.716 54.195 56.048 -0.227 0.000 1.192 428 H CB 2.206 31.823 29.762 -0.242 0.000 1.912 428 H HN 0.712 nan 8.280 nan 0.000 0.573 429 A N 0.558 123.152 122.820 -0.377 0.000 2.597 429 A HA 0.475 4.795 4.320 0.001 0.000 0.292 429 A C -2.423 174.988 177.584 -0.288 0.000 1.057 429 A CA -0.752 51.138 52.037 -0.245 0.000 0.674 429 A CB 1.278 20.202 19.000 -0.127 0.000 1.278 429 A HN 0.559 nan 8.150 nan 0.000 0.416 430 Y N 1.394 121.737 120.300 0.071 0.000 2.328 430 Y HA 0.567 5.118 4.550 0.001 0.000 0.333 430 Y C -0.170 175.776 175.900 0.077 0.000 0.958 430 Y CA -0.300 57.860 58.100 0.100 0.000 1.167 430 Y CB 1.361 39.847 38.460 0.043 0.000 1.151 430 Y HN 0.738 nan 8.280 nan 0.000 0.470 431 Y N 0.074 120.407 120.300 0.056 0.000 2.650 431 Y HA 0.767 5.317 4.550 0.001 0.000 0.331 431 Y C -0.909 174.992 175.900 0.002 0.000 1.082 431 Y CA -2.455 55.650 58.100 0.009 0.000 1.171 431 Y CB 1.316 39.747 38.460 -0.048 0.000 1.326 431 Y HN 0.385 nan 8.280 nan 0.000 0.513 432 K N 2.072 122.457 120.400 -0.025 0.000 2.616 432 K HA 0.474 4.795 4.320 0.001 0.000 0.241 432 K C -3.128 173.479 176.600 0.012 0.000 0.961 432 K CA -1.902 54.328 56.287 -0.095 0.000 0.942 432 K CB 1.256 33.766 32.500 0.016 0.000 1.153 432 K HN 0.458 nan 8.250 nan 0.000 0.452 433 P HA -0.127 nan 4.420 nan 0.000 0.263 433 P C 0.623 177.989 177.300 0.110 0.000 1.175 433 P CA -0.184 62.898 63.100 -0.030 0.000 0.761 433 P CB 0.515 31.954 31.700 -0.434 0.000 0.794 434 L N 4.452 125.757 121.223 0.137 0.000 2.079 434 L HA -0.201 4.139 4.340 0.001 0.000 0.210 434 L C 1.658 178.661 176.870 0.223 0.000 1.081 434 L CA 2.050 56.981 54.840 0.152 0.000 0.752 434 L CB -1.020 41.104 42.059 0.108 0.000 0.896 434 L HN 0.283 nan 8.230 nan 0.000 0.433 435 E N -1.004 119.359 120.200 0.272 0.000 2.204 435 E HA -0.163 4.187 4.350 0.001 0.000 0.195 435 E C 1.838 178.731 176.600 0.488 0.000 0.990 435 E CA 1.116 57.746 56.400 0.383 0.000 0.821 435 E CB -0.305 29.594 29.700 0.331 0.000 0.750 435 E HN 0.459 nan 8.360 nan 0.000 0.477 436 F N 0.323 120.362 119.950 0.148 0.000 2.661 436 F HA -0.043 4.485 4.527 0.001 0.000 0.298 436 F C 2.318 178.153 175.800 0.059 0.000 1.137 436 F CA 1.165 59.229 58.000 0.106 0.000 1.454 436 F CB -0.804 38.241 39.000 0.075 0.000 1.103 436 F HN 0.092 nan 8.300 nan 0.000 0.577 437 T N -2.737 111.961 114.554 0.239 0.000 2.684 437 T HA -0.096 4.254 4.350 0.001 0.000 0.253 437 T C 2.125 176.817 174.700 -0.013 0.000 1.057 437 T CA 1.521 63.681 62.100 0.101 0.000 1.162 437 T CB -0.987 67.934 68.868 0.088 0.000 0.868 437 T HN -0.019 nan 8.240 nan 0.000 0.409 438 V N 2.749 122.627 119.914 -0.061 0.000 2.324 438 V HA 0.060 4.180 4.120 0.001 0.000 0.250 438 V C 2.071 177.965 176.094 -0.333 0.000 1.060 438 V CA 1.222 63.358 62.300 -0.273 0.000 1.042 438 V CB -1.548 29.901 31.823 -0.624 0.000 0.650 438 V HN 0.846 nan 8.190 nan 0.000 0.450 439 A N 0.271 122.983 122.820 -0.180 0.000 2.363 439 A HA 0.246 4.567 4.320 0.001 0.000 0.270 439 A C 0.349 177.747 177.584 -0.310 0.000 1.121 439 A CA -0.172 51.733 52.037 -0.220 0.000 0.800 439 A CB 0.096 19.177 19.000 0.135 0.000 1.052 439 A HN 0.324 nan 8.150 nan 0.000 0.493 440 D N 1.142 121.223 120.400 -0.532 0.000 2.982 440 D HA 0.049 4.689 4.640 0.001 0.000 0.238 440 D C 0.477 176.689 176.300 -0.146 0.000 1.168 440 D CA 0.219 54.059 54.000 -0.266 0.000 0.947 440 D CB -0.573 40.084 40.800 -0.238 0.000 1.147 440 D HN 0.473 nan 8.370 nan 0.000 0.450 441 R N 1.252 121.665 120.500 -0.146 0.000 2.210 441 R HA 0.129 4.470 4.340 0.001 0.000 0.338 441 R C -0.400 175.862 176.300 -0.064 0.000 1.062 441 R CA -0.705 55.276 56.100 -0.197 0.000 0.902 441 R CB 0.351 30.335 30.300 -0.527 0.000 1.050 441 R HN 0.108 nan 8.270 nan 0.000 0.461 442 D N 3.340 123.754 120.400 0.025 0.000 2.493 442 D HA -0.027 4.614 4.640 0.001 0.000 0.240 442 D C -0.316 176.142 176.300 0.263 0.000 1.142 442 D CA 0.359 54.427 54.000 0.113 0.000 0.872 442 D CB 1.167 42.010 40.800 0.071 0.000 1.173 442 D HN 0.562 nan 8.370 nan 0.000 0.467 443 A N 2.769 125.735 122.820 0.243 0.000 2.616 443 A HA 0.217 4.537 4.320 0.001 0.000 0.294 443 A C 1.344 178.965 177.584 0.063 0.000 1.091 443 A CA 0.110 52.289 52.037 0.236 0.000 0.971 443 A CB -0.393 18.711 19.000 0.172 0.000 1.222 443 A HN 0.525 nan 8.150 nan 0.000 0.521 444 S N -0.530 115.207 115.700 0.061 0.000 2.603 444 S HA -0.094 4.377 4.470 0.001 0.000 0.229 444 S C 1.159 175.782 174.600 0.039 0.000 0.972 444 S CA 0.743 58.931 58.200 -0.019 0.000 0.935 444 S CB -0.105 63.062 63.200 -0.055 0.000 0.769 444 S HN 0.514 nan 8.310 nan 0.000 0.536 445 Q N -0.021 119.844 119.800 0.109 0.000 2.352 445 Q HA 0.262 4.603 4.340 0.001 0.000 0.212 445 Q C 0.108 176.155 176.000 0.078 0.000 0.888 445 Q CA 0.017 55.901 55.803 0.136 0.000 0.934 445 Q CB -0.110 28.775 28.738 0.245 0.000 1.093 445 Q HN 0.538 nan 8.270 nan 0.000 0.523 446 C N 2.954 122.219 119.300 -0.058 0.000 2.551 446 C HA 0.209 4.669 4.460 0.001 0.000 0.369 446 C C 0.188 175.082 174.990 -0.159 0.000 1.154 446 C CA -0.647 58.142 59.018 -0.381 0.000 1.456 446 C CB -2.238 24.798 27.740 -1.173 0.000 2.037 446 C HN 0.208 nan 8.230 nan 0.000 0.547 447 Y N 2.842 123.058 120.300 -0.141 0.000 2.567 447 Y HA 0.836 5.387 4.550 0.001 0.000 0.333 447 Y C -0.260 175.553 175.900 -0.144 0.000 1.106 447 Y CA -1.588 56.359 58.100 -0.254 0.000 1.157 447 Y CB 0.876 39.112 38.460 -0.374 0.000 1.277 447 Y HN 0.496 nan 8.280 nan 0.000 0.490 448 I N 3.648 123.678 120.570 -0.900 0.000 2.644 448 I HA 0.364 4.535 4.170 0.001 0.000 0.291 448 I C -1.435 174.205 176.117 -0.794 0.000 1.180 448 I CA -0.942 59.992 61.300 -0.611 0.000 1.040 448 I CB 2.364 40.135 38.000 -0.382 0.000 1.255 448 I HN 0.464 nan 8.210 nan 0.000 0.422 449 K N 6.778 126.964 120.400 -0.356 0.000 2.578 449 K HA 0.549 4.869 4.320 0.001 0.000 0.250 449 K C -1.438 175.175 176.600 0.021 0.000 0.955 449 K CA -0.589 55.584 56.287 -0.190 0.000 0.825 449 K CB 1.980 34.409 32.500 -0.120 0.000 1.151 449 K HN 0.686 nan 8.250 nan 0.000 0.432 450 M N 6.054 125.651 119.600 -0.005 0.000 2.103 450 M HA 0.262 4.743 4.480 0.001 0.000 0.350 450 M C -1.441 174.865 176.300 0.011 0.000 1.100 450 M CA -0.775 54.547 55.300 0.037 0.000 1.042 450 M CB 0.921 33.548 32.600 0.045 0.000 1.368 450 M HN 0.263 nan 8.290 nan 0.000 0.404 451 V N 5.381 125.318 119.914 0.038 0.000 2.432 451 V HA 0.390 4.511 4.120 0.001 0.000 0.271 451 V C 0.072 176.142 176.094 -0.040 0.000 1.046 451 V CA -0.380 61.900 62.300 -0.034 0.000 0.945 451 V CB 0.034 31.857 31.823 -0.002 0.000 0.992 451 V HN 1.074 nan 8.190 nan 0.000 0.471 452 C N 3.717 122.957 119.300 -0.100 0.000 3.340 452 C HA 0.697 5.158 4.460 0.001 0.000 0.333 452 C C -0.249 174.658 174.990 -0.139 0.000 1.464 452 C CA -1.358 57.611 59.018 -0.082 0.000 1.337 452 C CB 1.620 29.366 27.740 0.011 0.000 1.740 452 C HN 0.667 nan 8.230 nan 0.000 0.450 453 M N 1.126 120.657 119.600 -0.115 0.000 2.250 453 M HA 0.298 4.779 4.480 0.001 0.000 0.344 453 M C 1.327 177.586 176.300 -0.069 0.000 1.150 453 M CA -0.224 55.007 55.300 -0.115 0.000 1.147 453 M CB 0.895 33.434 32.600 -0.102 0.000 1.498 453 M HN 0.894 nan 8.290 nan 0.000 0.461 454 R N 1.999 122.465 120.500 -0.056 0.000 2.152 454 R HA -0.096 4.245 4.340 0.001 0.000 0.232 454 R C -0.027 176.268 176.300 -0.008 0.000 1.117 454 R CA 1.150 57.227 56.100 -0.039 0.000 0.981 454 R CB 0.026 30.323 30.300 -0.005 0.000 0.870 454 R HN 0.699 nan 8.270 nan 0.000 0.451 455 E N 1.017 121.208 120.200 -0.015 0.000 2.115 455 E HA 0.299 4.650 4.350 0.001 0.000 0.282 455 E C -2.382 174.226 176.600 0.015 0.000 0.987 455 E CA -2.629 53.764 56.400 -0.010 0.000 0.797 455 E CB 0.957 30.626 29.700 -0.053 0.000 1.086 455 E HN -0.005 nan 8.360 nan 0.000 0.397 456 P HA -0.110 nan 4.420 nan 0.000 0.268 456 P C -1.519 175.803 177.300 0.037 0.000 1.189 456 P CA -0.593 62.539 63.100 0.053 0.000 0.771 456 P CB 0.095 31.825 31.700 0.050 0.000 0.822 457 P HA -0.134 nan 4.420 nan 0.000 0.234 457 P C -0.439 176.926 177.300 0.108 0.000 1.167 457 P CA 0.886 64.025 63.100 0.065 0.000 0.763 457 P CB 0.136 31.864 31.700 0.047 0.000 0.835 458 Q N -1.136 118.718 119.800 0.089 0.000 2.323 458 Q HA -0.109 4.232 4.340 0.001 0.000 0.301 458 Q C -0.510 175.554 176.000 0.106 0.000 1.319 458 Q CA -0.242 55.623 55.803 0.104 0.000 0.688 458 Q CB -1.810 27.041 28.738 0.188 0.000 1.005 458 Q HN 0.192 nan 8.270 nan 0.000 0.342 459 L N 0.567 121.824 121.223 0.057 0.000 2.534 459 L HA 0.170 4.510 4.340 0.001 0.000 0.271 459 L C -0.165 176.730 176.870 0.042 0.000 1.178 459 L CA 0.444 55.314 54.840 0.051 0.000 0.907 459 L CB 0.943 43.021 42.059 0.033 0.000 1.164 459 L HN 0.178 nan 8.230 nan 0.000 0.482 460 V N 7.183 127.137 119.914 0.067 0.000 2.572 460 V HA 0.074 4.195 4.120 0.001 0.000 0.291 460 V C 0.672 176.784 176.094 0.029 0.000 1.039 460 V CA 0.057 62.392 62.300 0.058 0.000 1.055 460 V CB 0.898 32.769 31.823 0.079 0.000 0.969 460 V HN 0.822 nan 8.190 nan 0.000 0.482 461 L N 2.693 123.921 121.223 0.009 0.000 3.358 461 L HA 0.833 5.173 4.340 0.001 0.000 0.301 461 L C 0.366 177.255 176.870 0.032 0.000 1.276 461 L CA -0.209 54.639 54.840 0.012 0.000 1.028 461 L CB 0.198 42.247 42.059 -0.016 0.000 1.421 461 L HN 0.589 nan 8.230 nan 0.000 0.604 462 G N 0.451 109.275 108.800 0.040 0.000 2.289 462 G HA2 0.489 4.450 3.960 0.001 0.000 0.315 462 G HA3 0.489 4.450 3.960 0.001 0.000 0.315 462 G C -2.441 172.491 174.900 0.053 0.000 1.587 462 G CA -0.564 44.576 45.100 0.067 0.000 0.949 462 G HN 0.105 nan 8.290 nan 0.000 0.626 463 L N 2.534 123.686 121.223 -0.118 0.000 2.362 463 L HA 0.830 5.170 4.340 0.001 0.000 0.271 463 L C -0.858 175.798 176.870 -0.357 0.000 1.002 463 L CA -0.844 53.926 54.840 -0.116 0.000 0.818 463 L CB 1.664 43.631 42.059 -0.153 0.000 1.298 463 L HN 0.639 nan 8.230 nan 0.000 0.420 464 H N 5.128 124.245 119.070 0.078 0.000 2.823 464 H HA 0.357 4.914 4.556 0.001 0.000 0.332 464 H C -1.757 173.679 175.328 0.180 0.000 0.980 464 H CA -0.350 55.822 56.048 0.206 0.000 1.286 464 H CB 1.806 31.685 29.762 0.195 0.000 1.541 464 H HN 0.580 nan 8.280 nan 0.000 0.521 465 F N 4.492 124.541 119.950 0.166 0.000 2.493 465 F HA 0.396 4.924 4.527 0.001 0.000 0.329 465 F C -1.560 174.364 175.800 0.207 0.000 1.126 465 F CA -1.058 57.000 58.000 0.098 0.000 0.937 465 F CB 1.191 40.207 39.000 0.028 0.000 1.146 465 F HN 0.331 nan 8.300 nan 0.000 0.442 466 L N 6.826 127.902 121.223 -0.245 0.000 2.427 466 L HA 0.883 5.224 4.340 0.001 0.000 0.264 466 L C -0.603 176.132 176.870 -0.226 0.000 0.989 466 L CA 0.063 54.865 54.840 -0.064 0.000 0.865 466 L CB 0.819 42.864 42.059 -0.023 0.000 1.209 466 L HN 0.817 nan 8.230 nan 0.000 0.430 467 G N 4.006 112.771 108.800 -0.059 0.000 2.450 467 G HA2 0.387 4.348 3.960 0.001 0.000 0.273 467 G HA3 0.387 4.348 3.960 0.001 0.000 0.273 467 G C -3.358 171.738 174.900 0.326 0.000 1.221 467 G CA -0.598 44.543 45.100 0.069 0.000 0.900 467 G HN 0.272 nan 8.290 nan 0.000 0.483 468 P HA 0.242 nan 4.420 nan 0.000 0.276 468 P C -0.664 176.831 177.300 0.325 0.000 1.235 468 P CA -0.129 63.171 63.100 0.333 0.000 0.772 468 P CB 0.378 32.248 31.700 0.282 0.000 0.871 469 N N 1.453 120.306 118.700 0.256 0.000 2.696 469 N HA -0.244 4.496 4.740 0.001 0.000 0.256 469 N C 0.898 176.450 175.510 0.070 0.000 1.031 469 N CA 0.821 53.974 53.050 0.172 0.000 0.730 469 N CB -1.401 37.145 38.487 0.099 0.000 0.894 469 N HN 0.511 nan 8.380 nan 0.000 0.544 470 A N 0.622 123.521 122.820 0.131 0.000 1.865 470 A HA -0.058 4.263 4.320 0.001 0.000 0.217 470 A C 2.297 179.805 177.584 -0.126 0.000 1.191 470 A CA 2.332 54.387 52.037 0.030 0.000 0.623 470 A CB -0.975 18.122 19.000 0.162 0.000 0.826 470 A HN 0.601 nan 8.150 nan 0.000 0.444 471 G N -0.324 108.437 108.800 -0.065 0.000 2.446 471 G HA2 -0.241 3.719 3.960 0.001 0.000 0.217 471 G HA3 -0.241 3.719 3.960 0.001 0.000 0.217 471 G C 1.313 176.184 174.900 -0.049 0.000 1.168 471 G CA 1.048 46.124 45.100 -0.040 0.000 0.771 471 G HN 0.534 nan 8.290 nan 0.000 0.551 472 E N 0.323 120.504 120.200 -0.032 0.000 2.130 472 E HA -0.114 4.236 4.350 0.001 0.000 0.196 472 E C 2.739 179.247 176.600 -0.152 0.000 0.998 472 E CA 1.024 57.384 56.400 -0.066 0.000 0.806 472 E CB -0.479 29.198 29.700 -0.039 0.000 0.738 472 E HN 0.394 nan 8.360 nan 0.000 0.459 473 V N 0.955 120.715 119.914 -0.257 0.000 2.379 473 V HA -0.132 3.989 4.120 0.001 0.000 0.243 473 V C 2.325 178.308 176.094 -0.184 0.000 1.035 473 V CA 1.791 63.880 62.300 -0.351 0.000 1.035 473 V CB -0.575 30.740 31.823 -0.847 0.000 0.673 473 V HN 0.241 nan 8.190 nan 0.000 0.457 474 T N -0.443 114.017 114.554 -0.156 0.000 2.746 474 T HA -0.274 4.076 4.350 0.001 0.000 0.267 474 T C 1.876 176.582 174.700 0.010 0.000 1.039 474 T CA 1.824 63.923 62.100 -0.001 0.000 1.142 474 T CB -0.252 68.592 68.868 -0.039 0.000 0.866 474 T HN 0.366 nan 8.240 nan 0.000 0.444 475 Q N 1.401 121.169 119.800 -0.052 0.000 2.029 475 Q HA -0.116 4.224 4.340 0.001 0.000 0.209 475 Q C 2.452 178.405 176.000 -0.078 0.000 0.999 475 Q CA 2.453 58.225 55.803 -0.053 0.000 0.857 475 Q CB -1.270 27.433 28.738 -0.059 0.000 0.926 475 Q HN 0.504 nan 8.270 nan 0.000 0.415 476 G N -0.755 107.942 108.800 -0.171 0.000 2.553 476 G HA2 -0.291 3.669 3.960 0.001 0.000 0.218 476 G HA3 -0.291 3.669 3.960 0.001 0.000 0.218 476 G C 1.176 175.948 174.900 -0.214 0.000 1.195 476 G CA 1.108 46.051 45.100 -0.261 0.000 0.779 476 G HN 0.423 nan 8.290 nan 0.000 0.577 477 F N 1.918 121.826 119.950 -0.068 0.000 2.202 477 F HA -0.006 4.522 4.527 0.001 0.000 0.301 477 F C 3.016 178.791 175.800 -0.042 0.000 1.082 477 F CA 0.607 58.575 58.000 -0.053 0.000 1.313 477 F CB -0.645 38.321 39.000 -0.057 0.000 1.024 477 F HN 0.252 nan 8.300 nan 0.000 0.495 478 A N -0.485 122.405 122.820 0.117 0.000 2.131 478 A HA -0.143 4.177 4.320 0.001 0.000 0.220 478 A C 2.110 179.716 177.584 0.038 0.000 1.158 478 A CA 1.254 53.326 52.037 0.058 0.000 0.665 478 A CB -0.885 18.128 19.000 0.022 0.000 0.795 478 A HN 0.387 nan 8.150 nan 0.000 0.460 479 L N -0.628 120.610 121.223 0.024 0.000 2.179 479 L HA 0.149 4.490 4.340 0.001 0.000 0.208 479 L C 2.306 179.192 176.870 0.027 0.000 1.096 479 L CA 1.807 56.650 54.840 0.004 0.000 0.779 479 L CB -0.706 41.336 42.059 -0.029 0.000 0.922 479 L HN 0.258 nan 8.230 nan 0.000 0.443 480 G N -0.037 108.803 108.800 0.067 0.000 2.422 480 G HA2 -0.173 3.788 3.960 0.001 0.000 0.218 480 G HA3 -0.173 3.788 3.960 0.001 0.000 0.218 480 G C 1.466 176.406 174.900 0.067 0.000 1.140 480 G CA 0.871 46.022 45.100 0.085 0.000 0.775 480 G HN 0.334 nan 8.290 nan 0.000 0.545 481 I N 0.544 121.153 120.570 0.064 0.000 2.233 481 I HA -0.015 4.155 4.170 0.001 0.000 0.243 481 I C 2.524 178.661 176.117 0.033 0.000 1.093 481 I CA 1.042 62.370 61.300 0.046 0.000 1.380 481 I CB -0.834 37.190 38.000 0.040 0.000 1.067 481 I HN 0.074 nan 8.210 nan 0.000 0.413 482 K N 0.489 120.903 120.400 0.024 0.000 2.218 482 K HA -0.198 4.122 4.320 0.001 0.000 0.205 482 K C 2.220 178.828 176.600 0.013 0.000 1.046 482 K CA 1.198 57.492 56.287 0.013 0.000 0.933 482 K CB -0.526 31.975 32.500 0.002 0.000 0.728 482 K HN 0.384 nan 8.250 nan 0.000 0.454 483 C N -1.278 118.033 119.300 0.018 0.000 2.634 483 C HA 0.346 4.806 4.460 0.001 0.000 0.268 483 C C 1.233 176.237 174.990 0.023 0.000 1.322 483 C CA 0.652 59.680 59.018 0.016 0.000 1.737 483 C CB -1.193 26.555 27.740 0.015 0.000 1.976 483 C HN 0.709 nan 8.230 nan 0.000 0.547 484 G N 1.095 109.913 108.800 0.031 0.000 2.171 484 G HA2 0.005 3.965 3.960 0.001 0.000 0.238 484 G HA3 0.005 3.965 3.960 0.001 0.000 0.238 484 G C 0.194 175.117 174.900 0.039 0.000 1.039 484 G CA 0.370 45.491 45.100 0.035 0.000 0.759 484 G HN 1.303 nan 8.290 nan 0.000 0.501 485 A N -0.025 122.823 122.820 0.046 0.000 2.587 485 A HA 0.541 4.861 4.320 0.001 0.000 0.233 485 A C 1.146 178.766 177.584 0.059 0.000 1.049 485 A CA 1.234 53.301 52.037 0.050 0.000 0.754 485 A CB 0.177 19.218 19.000 0.068 0.000 0.977 485 A HN 2.123 nan 8.150 nan 0.000 0.509 486 S N 1.345 117.077 115.700 0.053 0.000 2.608 486 S HA 0.391 4.861 4.470 0.001 0.000 0.291 486 S C 0.519 175.175 174.600 0.093 0.000 1.146 486 S CA -0.264 57.981 58.200 0.076 0.000 1.043 486 S CB 0.617 63.851 63.200 0.056 0.000 1.037 486 S HN 0.825 nan 8.310 nan 0.000 0.520 487 Y N 2.028 122.344 120.300 0.026 0.000 2.365 487 Y HA -0.120 4.431 4.550 0.001 0.000 0.287 487 Y C 2.173 178.057 175.900 -0.027 0.000 1.162 487 Y CA 1.306 59.411 58.100 0.009 0.000 1.260 487 Y CB -0.962 37.540 38.460 0.069 0.000 0.976 487 Y HN 0.878 nan 8.280 nan 0.000 0.548 488 A N 0.101 122.859 122.820 -0.104 0.000 1.841 488 A HA -0.239 4.082 4.320 0.001 0.000 0.214 488 A C 2.061 179.536 177.584 -0.181 0.000 1.195 488 A CA 1.720 53.656 52.037 -0.169 0.000 0.611 488 A CB -0.840 18.131 19.000 -0.049 0.000 0.835 488 A HN 0.565 nan 8.150 nan 0.000 0.443 489 Q N -0.466 119.279 119.800 -0.092 0.000 2.515 489 Q HA -0.078 4.262 4.340 0.001 0.000 0.215 489 Q C 1.709 177.661 176.000 -0.081 0.000 0.983 489 Q CA 1.119 56.884 55.803 -0.064 0.000 0.905 489 Q CB -0.249 28.479 28.738 -0.017 0.000 0.961 489 Q HN 0.523 nan 8.270 nan 0.000 0.503 490 V N -0.501 119.315 119.914 -0.163 0.000 2.575 490 V HA -0.099 4.021 4.120 0.001 0.000 0.242 490 V C 1.770 177.718 176.094 -0.245 0.000 1.045 490 V CA 1.088 63.289 62.300 -0.165 0.000 1.065 490 V CB -0.122 31.590 31.823 -0.184 0.000 0.717 490 V HN 0.405 nan 8.190 nan 0.000 0.467 491 M N -0.565 118.789 119.600 -0.410 0.000 2.476 491 M HA -0.102 4.378 4.480 0.001 0.000 0.262 491 M C 1.979 178.173 176.300 -0.176 0.000 1.079 491 M CA 1.347 56.449 55.300 -0.330 0.000 1.104 491 M CB -0.144 32.209 32.600 -0.413 0.000 1.409 491 M HN 0.377 nan 8.290 nan 0.000 0.467 492 Q N -0.816 118.896 119.800 -0.147 0.000 2.376 492 Q HA 0.071 4.412 4.340 0.001 0.000 0.206 492 Q C 0.151 176.115 176.000 -0.059 0.000 0.921 492 Q CA 0.449 56.200 55.803 -0.087 0.000 0.911 492 Q CB 0.438 29.133 28.738 -0.071 0.000 1.032 492 Q HN 0.295 nan 8.270 nan 0.000 0.510 493 T N 1.774 116.294 114.554 -0.056 0.000 2.794 493 T HA 0.239 4.590 4.350 0.001 0.000 0.296 493 T C 0.185 174.873 174.700 -0.020 0.000 0.949 493 T CA -0.277 61.809 62.100 -0.024 0.000 1.101 493 T CB 1.202 70.075 68.868 0.009 0.000 0.905 493 T HN -0.127 nan 8.240 nan 0.000 0.516 494 V N 2.517 122.422 119.914 -0.015 0.000 3.214 494 V HA 0.662 4.783 4.120 0.001 0.000 0.306 494 V C 1.091 177.188 176.094 0.005 0.000 1.078 494 V CA -0.835 61.460 62.300 -0.009 0.000 1.077 494 V CB 0.995 32.812 31.823 -0.010 0.000 1.121 494 V HN 0.974 nan 8.190 nan 0.000 0.468 495 G N 0.035 108.844 108.800 0.014 0.000 2.471 495 G HA2 0.674 4.634 3.960 0.001 0.000 0.332 495 G HA3 0.674 4.634 3.960 0.001 0.000 0.332 495 G C -0.831 174.097 174.900 0.047 0.000 1.176 495 G CA -0.802 44.319 45.100 0.034 0.000 0.949 495 G HN 0.599 nan 8.290 nan 0.000 0.488 496 I N 1.561 122.163 120.570 0.053 0.000 2.347 496 I HA 0.163 4.333 4.170 0.001 0.000 0.283 496 I C -0.365 175.813 176.117 0.102 0.000 1.058 496 I CA -0.604 60.727 61.300 0.053 0.000 1.202 496 I CB 0.795 38.801 38.000 0.010 0.000 1.386 496 I HN 0.469 nan 8.210 nan 0.000 0.475 497 H N 8.352 127.429 119.070 0.012 0.000 2.467 497 H HA 0.533 5.089 4.556 0.001 0.000 0.331 497 H C -2.319 173.024 175.328 0.025 0.000 1.120 497 H CA -1.643 54.418 56.048 0.022 0.000 1.270 497 H CB 1.462 31.238 29.762 0.023 0.000 1.466 497 H HN 0.324 nan 8.280 nan 0.000 0.504 498 P HA 0.271 nan 4.420 nan 0.000 0.304 498 P C -1.280 175.952 177.300 -0.114 0.000 1.366 498 P CA -0.593 62.183 63.100 -0.539 0.000 0.859 498 P CB 1.611 32.872 31.700 -0.732 0.000 0.961 499 T N -0.832 113.732 114.554 0.017 0.000 2.804 499 T HA 0.316 4.667 4.350 0.001 0.000 0.290 499 T C 0.647 175.389 174.700 0.069 0.000 1.099 499 T CA -0.417 61.706 62.100 0.037 0.000 1.011 499 T CB 0.959 69.843 68.868 0.026 0.000 1.291 499 T HN 0.310 nan 8.240 nan 0.000 0.523 500 C N 0.732 120.075 119.300 0.072 0.000 2.518 500 C HA 0.147 4.608 4.460 0.001 0.000 0.283 500 C C 3.149 178.175 174.990 0.061 0.000 1.351 500 C CA 0.900 59.964 59.018 0.076 0.000 1.745 500 C CB -0.895 26.977 27.740 0.219 0.000 2.107 500 C HN 1.032 nan 8.230 nan 0.000 0.502 501 S N 2.309 118.042 115.700 0.055 0.000 2.402 501 S HA -0.228 4.242 4.470 0.001 0.000 0.229 501 S C 1.669 176.339 174.600 0.117 0.000 1.021 501 S CA 1.719 59.960 58.200 0.069 0.000 0.974 501 S CB -0.803 62.385 63.200 -0.019 0.000 0.800 501 S HN 0.864 nan 8.310 nan 0.000 0.484 502 E N 1.564 121.808 120.200 0.073 0.000 2.171 502 E HA -0.264 4.086 4.350 0.001 0.000 0.197 502 E C 1.650 178.278 176.600 0.045 0.000 0.997 502 E CA 1.409 57.856 56.400 0.078 0.000 0.810 502 E CB -0.434 29.319 29.700 0.089 0.000 0.738 502 E HN 0.401 nan 8.360 nan 0.000 0.467 503 E N 0.854 121.048 120.200 -0.009 0.000 2.130 503 E HA -0.175 4.175 4.350 0.001 0.000 0.196 503 E C 2.310 178.857 176.600 -0.087 0.000 0.998 503 E CA 1.227 57.578 56.400 -0.081 0.000 0.806 503 E CB -0.388 29.164 29.700 -0.246 0.000 0.738 503 E HN 0.279 nan 8.360 nan 0.000 0.459 504 V N 0.888 120.771 119.914 -0.052 0.000 2.233 504 V HA -0.224 3.896 4.120 0.001 0.000 0.247 504 V C 2.372 178.414 176.094 -0.087 0.000 1.050 504 V CA 1.592 63.820 62.300 -0.120 0.000 1.010 504 V CB -0.536 31.127 31.823 -0.267 0.000 0.637 504 V HN 0.080 nan 8.190 nan 0.000 0.444 505 V N -0.134 119.790 119.914 0.017 0.000 3.440 505 V HA -0.143 3.978 4.120 0.001 0.000 0.274 505 V C 1.929 178.005 176.094 -0.031 0.000 1.207 505 V CA 1.499 63.810 62.300 0.019 0.000 1.183 505 V CB -1.035 30.847 31.823 0.099 0.000 0.837 505 V HN 0.572 nan 8.190 nan 0.000 0.532 506 K N -0.778 119.590 120.400 -0.052 0.000 2.365 506 K HA 0.297 4.617 4.320 0.001 0.000 0.195 506 K C 0.484 176.992 176.600 -0.155 0.000 1.079 506 K CA -0.218 56.025 56.287 -0.074 0.000 0.979 506 K CB 0.297 32.751 32.500 -0.075 0.000 0.929 506 K HN 0.292 nan 8.250 nan 0.000 0.523 507 L N 3.065 124.201 121.223 -0.145 0.000 2.769 507 L HA -0.205 4.136 4.340 0.001 0.000 0.293 507 L C 0.946 177.769 176.870 -0.078 0.000 1.224 507 L CA 0.652 55.409 54.840 -0.137 0.000 0.906 507 L CB -0.338 41.713 42.059 -0.013 0.000 1.193 507 L HN 0.530 nan 8.230 nan 0.000 0.488 508 H N 0.825 119.930 119.070 0.057 0.000 3.049 508 H HA 0.312 4.869 4.556 0.001 0.000 0.212 508 H C 0.374 175.817 175.328 0.191 0.000 0.894 508 H CA -0.608 55.455 56.048 0.026 0.000 0.968 508 H CB -0.192 29.594 29.762 0.041 0.000 1.271 508 H HN 0.338 nan 8.280 nan 0.000 0.531 509 I N 2.612 123.492 120.570 0.518 0.000 2.664 509 I HA 0.022 4.192 4.170 0.001 0.000 0.284 509 I C 0.482 176.803 176.117 0.340 0.000 1.154 509 I CA 0.262 61.820 61.300 0.429 0.000 1.402 509 I CB 0.544 38.776 38.000 0.385 0.000 1.395 509 I HN 0.319 nan 8.210 nan 0.000 0.545 510 S N 5.394 121.222 115.700 0.213 0.000 2.672 510 S HA 0.265 4.736 4.470 0.001 0.000 0.276 510 S C 1.037 175.551 174.600 -0.144 0.000 1.207 510 S CA -0.610 57.552 58.200 -0.064 0.000 1.002 510 S CB 1.323 64.468 63.200 -0.092 0.000 0.998 510 S HN 0.589 nan 8.310 nan 0.000 0.542 511 K N 1.175 121.386 120.400 -0.314 0.000 2.186 511 K HA 0.114 4.434 4.320 0.001 0.000 0.202 511 K C 2.245 178.771 176.600 -0.124 0.000 1.052 511 K CA 0.171 56.313 56.287 -0.241 0.000 0.965 511 K CB -0.049 32.268 32.500 -0.305 0.000 0.746 511 K HN 0.422 nan 8.250 nan 0.000 0.457 512 R N 0.961 121.375 120.500 -0.142 0.000 2.097 512 R HA -0.137 4.203 4.340 0.001 0.000 0.236 512 R C 2.480 178.756 176.300 -0.040 0.000 1.135 512 R CA 2.136 58.184 56.100 -0.087 0.000 0.934 512 R CB -0.976 29.270 30.300 -0.091 0.000 0.846 512 R HN 0.287 nan 8.270 nan 0.000 0.431 513 S N -0.420 115.267 115.700 -0.022 0.000 2.442 513 S HA -0.068 4.402 4.470 0.001 0.000 0.236 513 S C 1.440 176.059 174.600 0.032 0.000 1.007 513 S CA 1.073 59.283 58.200 0.017 0.000 0.965 513 S CB -0.416 62.812 63.200 0.046 0.000 0.773 513 S HN 0.589 nan 8.310 nan 0.000 0.504 514 G N 1.249 110.069 108.800 0.032 0.000 2.341 514 G HA2 -0.247 3.714 3.960 0.001 0.000 0.292 514 G HA3 -0.247 3.714 3.960 0.001 0.000 0.292 514 G C -0.091 174.865 174.900 0.094 0.000 1.021 514 G CA 0.635 45.772 45.100 0.061 0.000 0.905 514 G HN 0.593 nan 8.290 nan 0.000 0.508 515 L N -0.814 120.484 121.223 0.125 0.000 2.421 515 L HA 0.452 4.792 4.340 0.001 0.000 0.263 515 L C 1.030 177.997 176.870 0.162 0.000 1.122 515 L CA -1.010 53.907 54.840 0.128 0.000 0.804 515 L CB 0.744 42.882 42.059 0.133 0.000 1.150 515 L HN 0.248 nan 8.230 nan 0.000 0.457 516 E N 3.661 123.934 120.200 0.122 0.000 2.493 516 E HA -0.024 4.326 4.350 0.001 0.000 0.255 516 E C -1.735 174.949 176.600 0.140 0.000 0.999 516 E CA -1.088 55.379 56.400 0.111 0.000 0.934 516 E CB 0.671 30.415 29.700 0.074 0.000 0.940 516 E HN 0.199 nan 8.360 nan 0.000 0.473 517 P HA -0.136 nan 4.420 nan 0.000 0.215 517 P C -0.119 177.290 177.300 0.181 0.000 1.157 517 P CA 0.891 64.046 63.100 0.091 0.000 0.863 517 P CB -0.661 30.981 31.700 -0.097 0.000 0.787 518 T N -0.223 114.463 114.554 0.221 0.000 2.867 518 T HA 0.027 4.378 4.350 0.001 0.000 0.290 518 T C 0.354 175.132 174.700 0.130 0.000 1.025 518 T CA -0.486 61.717 62.100 0.172 0.000 1.146 518 T CB -0.054 68.844 68.868 0.049 0.000 1.024 518 T HN -0.030 nan 8.240 nan 0.000 0.519 519 V N 4.547 124.537 119.914 0.127 0.000 2.607 519 V HA 0.567 4.688 4.120 0.001 0.000 0.289 519 V C 0.863 177.013 176.094 0.093 0.000 1.053 519 V CA 0.261 62.624 62.300 0.106 0.000 0.996 519 V CB 1.189 33.067 31.823 0.092 0.000 0.995 519 V HN 1.393 nan 8.190 nan 0.000 0.476 520 T N 3.400 118.011 114.554 0.095 0.000 2.864 520 T HA 0.822 5.172 4.350 0.001 0.000 0.276 520 T C 0.637 175.380 174.700 0.071 0.000 1.006 520 T CA 0.141 62.287 62.100 0.076 0.000 0.970 520 T CB 0.869 69.779 68.868 0.070 0.000 1.420 520 T HN 2.281 nan 8.240 nan 0.000 0.601 521 G N 0.000 108.834 108.800 0.056 0.000 5.446 521 G HA2 0.000 3.960 3.960 0.001 0.000 0.244 521 G HA3 0.000 3.960 3.960 0.001 0.000 0.244 521 G CA 0.000 45.127 45.100 0.045 0.000 0.502 521 G HN 0.000 nan 8.290 nan 0.000 0.925