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 3a75_1_A DATA FIRST_RESID 37 DATA SEQUENCE EYKQVDVGKD GMVATAHPLA SEIGADVLKK GGNAIDAAVA IQFALNVTEP DATA SEQUENCE MMSGIGGGGF MMVYDGKTKD TTIIDSRERA PAGATPDMFL DENGKAIPFS DATA SEQUENCE ERVTKGTAVG VPGTLKGLEE ALDKWGTRSM KQLITPSIKL AEKGFPIDSV DATA SEQUENCE LAEAISDYQE KLSRTAAKDV FLPNGEPLKE GDTLIQKDLA KTFKLIRSKG DATA SEQUENCE TDAFYKGKFA KTLSDTVQDF GGSMTEKDLE NYDITIDEPI WGDYQGYQIA DATA SEQUENCE TTPPPSSGGI FLLQMLKILD HFNLSQYDVR SWEKYQLLAE TMHLSYADRA DATA SEQUENCE SYAGDPEFVN VPLKGLLHPD YIKERQQLIN LDQVNKKPKA GDPWKYQEGS DATA SEQUENCE ANYKQVEQP 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 37 E HA 0.000 nan 4.350 nan 0.000 0.291 37 E C 0.000 176.468 176.600 -0.220 0.000 1.382 37 E CA 0.000 56.261 56.400 -0.232 0.000 0.976 37 E CB 0.000 29.644 29.700 -0.093 0.000 0.812 38 Y N 1.234 121.533 120.300 -0.002 0.000 2.805 38 Y HA 0.114 4.665 4.550 0.001 0.000 0.337 38 Y C 0.555 176.450 175.900 -0.008 0.000 1.252 38 Y CA 0.421 58.516 58.100 -0.007 0.000 1.515 38 Y CB 0.567 39.017 38.460 -0.017 0.000 1.305 38 Y HN 0.190 nan 8.280 nan 0.000 0.600 39 K N 2.168 122.669 120.400 0.167 0.000 2.318 39 K HA 0.267 4.587 4.320 0.001 0.000 0.249 39 K C -0.101 176.542 176.600 0.071 0.000 0.942 39 K CA -0.918 55.420 56.287 0.086 0.000 0.808 39 K CB 1.938 34.469 32.500 0.052 0.000 1.189 39 K HN 0.656 nan 8.250 nan 0.000 0.428 40 Q N 0.324 120.151 119.800 0.043 0.000 2.360 40 Q HA 0.128 4.468 4.340 0.001 0.000 0.202 40 Q C -0.231 175.781 176.000 0.021 0.000 0.915 40 Q CA 0.247 56.066 55.803 0.027 0.000 0.943 40 Q CB 0.752 29.500 28.738 0.017 0.000 1.064 40 Q HN 0.241 nan 8.270 nan 0.000 0.511 41 V N 0.585 120.513 119.914 0.023 0.000 2.733 41 V HA 0.391 4.512 4.120 0.001 0.000 0.306 41 V C -1.073 175.034 176.094 0.020 0.000 1.084 41 V CA -0.872 61.438 62.300 0.017 0.000 0.905 41 V CB 2.400 34.230 31.823 0.013 0.000 1.010 41 V HN -0.031 nan 8.190 nan 0.000 0.424 42 D N 1.719 122.130 120.400 0.019 0.000 2.596 42 D HA 0.794 5.434 4.640 0.001 0.000 0.262 42 D C -1.459 174.850 176.300 0.014 0.000 1.210 42 D CA -0.136 53.875 54.000 0.019 0.000 0.873 42 D CB 2.671 43.487 40.800 0.027 0.000 1.408 42 D HN 0.341 nan 8.370 nan 0.000 0.441 43 V N -0.523 119.399 119.914 0.013 0.000 3.040 43 V HA 1.041 5.162 4.120 0.001 0.000 0.312 43 V C 0.347 176.448 176.094 0.012 0.000 1.115 43 V CA -0.575 61.731 62.300 0.011 0.000 0.998 43 V CB 1.876 33.704 31.823 0.009 0.000 1.042 43 V HN 0.746 nan 8.190 nan 0.000 0.433 44 G N 0.762 109.569 108.800 0.011 0.000 2.703 44 G HA2 0.522 4.483 3.960 0.001 0.000 0.294 44 G HA3 0.522 4.483 3.960 0.001 0.000 0.294 44 G C -0.594 174.312 174.900 0.011 0.000 1.451 44 G CA -0.318 44.789 45.100 0.012 0.000 0.869 44 G HN 0.632 nan 8.290 nan 0.000 0.516 45 K N -0.524 119.882 120.400 0.011 0.000 2.284 45 K HA 0.190 4.511 4.320 0.001 0.000 0.198 45 K C 0.866 177.473 176.600 0.013 0.000 1.048 45 K CA 1.283 57.577 56.287 0.011 0.000 0.987 45 K CB 0.466 32.972 32.500 0.010 0.000 0.800 45 K HN 0.367 nan 8.250 nan 0.000 0.486 46 D N -0.443 119.965 120.400 0.013 0.000 2.469 46 D HA 0.259 4.900 4.640 0.001 0.000 0.213 46 D C 0.150 176.459 176.300 0.015 0.000 1.135 46 D CA 0.497 54.506 54.000 0.014 0.000 0.834 46 D CB 1.344 42.153 40.800 0.014 0.000 1.009 46 D HN 0.285 nan 8.370 nan 0.000 0.507 47 G N 0.813 109.622 108.800 0.014 0.000 2.337 47 G HA2 0.392 4.353 3.960 0.001 0.000 0.298 47 G HA3 0.392 4.353 3.960 0.001 0.000 0.298 47 G C -2.002 172.906 174.900 0.013 0.000 1.335 47 G CA -0.813 44.295 45.100 0.014 0.000 0.875 47 G HN -0.011 nan 8.290 nan 0.000 0.579 48 M N -0.459 119.147 119.600 0.011 0.000 2.490 48 M HA 0.719 5.199 4.480 0.001 0.000 0.286 48 M C -1.918 174.387 176.300 0.009 0.000 1.185 48 M CA -0.518 54.789 55.300 0.012 0.000 0.912 48 M CB 2.110 34.715 32.600 0.008 0.000 1.744 48 M HN 0.962 nan 8.290 nan 0.000 0.494 49 V N 2.862 122.784 119.914 0.013 0.000 2.709 49 V HA 1.018 5.139 4.120 0.001 0.000 0.308 49 V C -1.025 175.075 176.094 0.010 0.000 1.062 49 V CA -0.367 61.939 62.300 0.010 0.000 0.901 49 V CB 1.851 33.684 31.823 0.017 0.000 1.003 49 V HN 1.058 nan 8.190 nan 0.000 0.425 50 A N 2.992 125.813 122.820 0.001 0.000 2.414 50 A HA 0.898 5.219 4.320 0.001 0.000 0.286 50 A C -0.334 177.245 177.584 -0.008 0.000 1.073 50 A CA -0.061 51.975 52.037 -0.001 0.000 0.727 50 A CB 1.766 20.764 19.000 -0.003 0.000 1.215 50 A HN 1.062 nan 8.150 nan 0.000 0.430 51 T N -1.588 112.960 114.554 -0.011 0.000 2.841 51 T HA 0.679 5.030 4.350 0.001 0.000 0.296 51 T C 0.659 175.350 174.700 -0.015 0.000 1.166 51 T CA 0.158 62.252 62.100 -0.011 0.000 1.007 51 T CB 1.575 70.439 68.868 -0.007 0.000 1.253 51 T HN 1.540 nan 8.240 nan 0.000 0.511 52 A N 0.200 123.018 122.820 -0.002 0.000 2.238 52 A HA 0.289 4.609 4.320 0.001 0.000 0.208 52 A C 0.609 178.192 177.584 -0.002 0.000 1.177 52 A CA 0.570 52.604 52.037 -0.004 0.000 0.804 52 A CB -1.099 17.907 19.000 0.010 0.000 0.823 52 A HN 0.971 nan 8.150 nan 0.000 0.482 53 H N -1.884 117.125 119.070 -0.102 0.000 2.877 53 H HA 0.395 4.951 4.556 0.001 0.000 0.347 53 H C -2.394 172.797 175.328 -0.228 0.000 1.042 53 H CA -1.553 54.406 56.048 -0.148 0.000 1.276 53 H CB 2.016 31.693 29.762 -0.142 0.000 1.681 53 H HN -0.078 nan 8.280 nan 0.000 0.521 54 P HA -0.190 nan 4.420 nan 0.000 0.216 54 P C 1.272 178.355 177.300 -0.361 0.000 1.150 54 P CA 1.227 63.904 63.100 -0.704 0.000 0.843 54 P CB 0.342 31.226 31.700 -1.360 0.000 0.787 55 L N -1.571 119.688 121.223 0.059 0.000 2.156 55 L HA -0.083 4.258 4.340 0.001 0.000 0.208 55 L C 2.422 179.287 176.870 -0.009 0.000 1.095 55 L CA 1.333 56.194 54.840 0.035 0.000 0.770 55 L CB -0.949 41.096 42.059 -0.025 0.000 0.914 55 L HN -0.033 nan 8.230 nan 0.000 0.439 56 A N -0.838 121.981 122.820 -0.002 0.000 1.930 56 A HA -0.097 4.224 4.320 0.001 0.000 0.215 56 A C 2.478 180.059 177.584 -0.005 0.000 1.176 56 A CA 1.433 53.452 52.037 -0.029 0.000 0.632 56 A CB -0.346 18.632 19.000 -0.036 0.000 0.819 56 A HN 0.309 nan 8.150 nan 0.000 0.445 57 S N -0.256 115.435 115.700 -0.015 0.000 2.383 57 S HA -0.139 4.332 4.470 0.001 0.000 0.227 57 S C 1.929 176.554 174.600 0.041 0.000 1.026 57 S CA 1.541 59.742 58.200 0.002 0.000 0.981 57 S CB -0.207 62.983 63.200 -0.016 0.000 0.818 57 S HN 0.648 nan 8.310 nan 0.000 0.472 58 E N 1.445 121.680 120.200 0.058 0.000 2.077 58 E HA -0.022 4.329 4.350 0.001 0.000 0.193 58 E C 1.801 178.443 176.600 0.070 0.000 0.989 58 E CA 0.938 57.407 56.400 0.113 0.000 0.800 58 E CB -0.331 29.475 29.700 0.175 0.000 0.746 58 E HN 0.490 nan 8.360 nan 0.000 0.452 59 I N -0.314 120.283 120.570 0.045 0.000 2.179 59 I HA -0.201 3.969 4.170 0.001 0.000 0.242 59 I C 2.262 178.399 176.117 0.034 0.000 1.088 59 I CA 1.315 62.637 61.300 0.037 0.000 1.357 59 I CB -0.447 37.568 38.000 0.026 0.000 1.051 59 I HN 0.259 nan 8.210 nan 0.000 0.409 60 G N 0.093 108.910 108.800 0.028 0.000 2.408 60 G HA2 -0.200 3.761 3.960 0.001 0.000 0.217 60 G HA3 -0.200 3.761 3.960 0.001 0.000 0.217 60 G C 1.824 176.740 174.900 0.027 0.000 1.150 60 G CA 0.740 45.853 45.100 0.023 0.000 0.776 60 G HN 0.490 nan 8.290 nan 0.000 0.542 61 A N 1.067 123.908 122.820 0.036 0.000 1.930 61 A HA -0.020 4.301 4.320 0.001 0.000 0.217 61 A C 2.080 179.686 177.584 0.036 0.000 1.175 61 A CA 2.007 54.067 52.037 0.038 0.000 0.627 61 A CB -0.398 18.633 19.000 0.052 0.000 0.815 61 A HN 0.255 nan 8.150 nan 0.000 0.443 62 D N -0.154 120.270 120.400 0.040 0.000 2.133 62 D HA -0.130 4.510 4.640 0.001 0.000 0.195 62 D C 2.025 178.342 176.300 0.029 0.000 0.997 62 D CA 1.462 55.483 54.000 0.035 0.000 0.840 62 D CB -0.445 40.378 40.800 0.038 0.000 0.947 62 D HN 0.197 nan 8.370 nan 0.000 0.452 63 V N 0.801 120.732 119.914 0.028 0.000 2.332 63 V HA -0.226 3.895 4.120 0.001 0.000 0.248 63 V C 2.592 178.700 176.094 0.023 0.000 1.055 63 V CA 1.206 63.522 62.300 0.026 0.000 1.038 63 V CB -0.404 31.436 31.823 0.027 0.000 0.651 63 V HN 0.224 nan 8.190 nan 0.000 0.450 64 L N -0.719 120.517 121.223 0.022 0.000 2.056 64 L HA -0.161 4.180 4.340 0.001 0.000 0.207 64 L C 2.562 179.444 176.870 0.020 0.000 1.078 64 L CA 1.592 56.444 54.840 0.020 0.000 0.749 64 L CB -0.617 41.453 42.059 0.018 0.000 0.901 64 L HN 0.252 nan 8.230 nan 0.000 0.433 65 K N 0.495 120.908 120.400 0.021 0.000 2.152 65 K HA -0.176 4.144 4.320 0.001 0.000 0.206 65 K C 1.525 178.136 176.600 0.018 0.000 1.048 65 K CA 1.283 57.582 56.287 0.020 0.000 0.933 65 K CB -0.043 32.470 32.500 0.022 0.000 0.721 65 K HN 0.248 nan 8.250 nan 0.000 0.447 66 K N -0.499 119.912 120.400 0.019 0.000 2.469 66 K HA 0.075 4.396 4.320 0.001 0.000 0.201 66 K C 0.634 177.244 176.600 0.017 0.000 1.028 66 K CA 0.382 56.679 56.287 0.018 0.000 1.170 66 K CB 0.803 33.314 32.500 0.018 0.000 0.874 66 K HN 0.346 nan 8.250 nan 0.000 0.507 67 G N 0.559 109.370 108.800 0.018 0.000 2.176 67 G HA2 -0.230 3.731 3.960 0.001 0.000 0.232 67 G HA3 -0.230 3.731 3.960 0.001 0.000 0.232 67 G C 0.460 175.372 174.900 0.020 0.000 0.986 67 G CA -0.315 44.796 45.100 0.018 0.000 0.643 67 G HN 0.507 nan 8.290 nan 0.000 0.522 68 G N 0.205 109.018 108.800 0.022 0.000 2.599 68 G HA2 0.548 4.509 3.960 0.001 0.000 0.264 68 G HA3 0.548 4.509 3.960 0.001 0.000 0.264 68 G C 0.279 175.193 174.900 0.023 0.000 1.200 68 G CA 0.417 45.532 45.100 0.025 0.000 0.896 68 G HN 1.029 nan 8.290 nan 0.000 0.536 69 N N -1.379 117.336 118.700 0.026 0.000 2.491 69 N HA 0.480 5.221 4.740 0.001 0.000 0.279 69 N C 1.259 176.772 175.510 0.004 0.000 1.236 69 N CA -0.020 53.039 53.050 0.016 0.000 0.982 69 N CB 0.946 39.445 38.487 0.021 0.000 1.194 69 N HN 0.461 nan 8.380 nan 0.000 0.582 70 A N -0.107 122.702 122.820 -0.018 0.000 1.940 70 A HA -0.120 4.200 4.320 0.001 0.000 0.219 70 A C 1.923 179.483 177.584 -0.040 0.000 1.176 70 A CA 1.457 53.473 52.037 -0.034 0.000 0.631 70 A CB -1.038 17.928 19.000 -0.058 0.000 0.814 70 A HN 0.619 nan 8.150 nan 0.000 0.446 71 I N 0.507 121.052 120.570 -0.043 0.000 2.252 71 I HA -0.184 3.986 4.170 0.001 0.000 0.245 71 I C 1.880 178.017 176.117 0.033 0.000 1.102 71 I CA 1.440 62.734 61.300 -0.010 0.000 1.385 71 I CB -0.473 37.569 38.000 0.069 0.000 1.064 71 I HN 0.261 nan 8.210 nan 0.000 0.414 72 D N 0.984 121.411 120.400 0.045 0.000 2.092 72 D HA -0.209 4.432 4.640 0.001 0.000 0.193 72 D C 2.315 178.634 176.300 0.032 0.000 0.994 72 D CA 1.825 55.853 54.000 0.047 0.000 0.828 72 D CB -0.338 40.488 40.800 0.044 0.000 0.963 72 D HN 0.367 nan 8.370 nan 0.000 0.450 73 A N 1.517 124.349 122.820 0.019 0.000 1.883 73 A HA -0.137 4.183 4.320 0.001 0.000 0.217 73 A C 2.403 179.988 177.584 0.001 0.000 1.186 73 A CA 2.683 54.728 52.037 0.013 0.000 0.624 73 A CB -0.862 18.142 19.000 0.007 0.000 0.822 73 A HN 0.263 nan 8.150 nan 0.000 0.444 74 A N -0.754 122.057 122.820 -0.014 0.000 1.908 74 A HA -0.043 4.277 4.320 0.001 0.000 0.218 74 A C 2.257 179.808 177.584 -0.055 0.000 1.181 74 A CA 1.915 53.931 52.037 -0.035 0.000 0.627 74 A CB -1.002 17.971 19.000 -0.045 0.000 0.818 74 A HN 0.431 nan 8.150 nan 0.000 0.445 75 V N -0.257 119.633 119.914 -0.040 0.000 2.343 75 V HA -0.252 3.868 4.120 0.001 0.000 0.247 75 V C 3.061 179.132 176.094 -0.038 0.000 1.051 75 V CA 1.945 64.194 62.300 -0.084 0.000 1.036 75 V CB -1.167 30.656 31.823 -0.001 0.000 0.654 75 V HN 0.637 nan 8.190 nan 0.000 0.451 76 A N -0.136 122.718 122.820 0.057 0.000 1.902 76 A HA -0.201 4.120 4.320 0.001 0.000 0.217 76 A C 2.171 179.797 177.584 0.069 0.000 1.181 76 A CA 2.026 54.131 52.037 0.113 0.000 0.623 76 A CB -0.563 18.478 19.000 0.068 0.000 0.818 76 A HN 0.510 nan 8.150 nan 0.000 0.443 77 I N -0.745 119.829 120.570 0.006 0.000 2.226 77 I HA -0.299 3.871 4.170 0.001 0.000 0.245 77 I C 2.767 178.855 176.117 -0.048 0.000 1.100 77 I CA 1.842 63.132 61.300 -0.016 0.000 1.374 77 I CB -0.279 37.706 38.000 -0.026 0.000 1.057 77 I HN 0.450 nan 8.210 nan 0.000 0.413 78 Q N 1.009 120.733 119.800 -0.126 0.000 2.096 78 Q HA -0.213 4.127 4.340 0.001 0.000 0.204 78 Q C 1.930 177.812 176.000 -0.196 0.000 0.982 78 Q CA 2.078 57.754 55.803 -0.212 0.000 0.850 78 Q CB -0.360 28.158 28.738 -0.367 0.000 0.901 78 Q HN 0.410 nan 8.270 nan 0.000 0.422 79 F N -0.071 119.820 119.950 -0.099 0.000 2.186 79 F HA 0.043 4.571 4.527 0.001 0.000 0.299 79 F C 2.293 178.101 175.800 0.013 0.000 1.090 79 F CA 0.961 58.892 58.000 -0.115 0.000 1.307 79 F CB -0.992 37.832 39.000 -0.292 0.000 1.019 79 F HN 0.214 nan 8.300 nan 0.000 0.489 80 A N 0.110 123.019 122.820 0.149 0.000 1.902 80 A HA -0.132 4.188 4.320 0.001 0.000 0.217 80 A C 2.265 179.818 177.584 -0.051 0.000 1.181 80 A CA 1.396 53.456 52.037 0.039 0.000 0.623 80 A CB -1.085 17.906 19.000 -0.015 0.000 0.818 80 A HN 0.380 nan 8.150 nan 0.000 0.443 81 L N -0.269 120.927 121.223 -0.044 0.000 2.093 81 L HA -0.187 4.154 4.340 0.001 0.000 0.208 81 L C 2.556 179.413 176.870 -0.022 0.000 1.085 81 L CA 1.233 56.029 54.840 -0.072 0.000 0.755 81 L CB -0.573 41.458 42.059 -0.047 0.000 0.904 81 L HN 0.462 nan 8.230 nan 0.000 0.435 82 N N 0.196 118.931 118.700 0.059 0.000 2.094 82 N HA -0.166 4.575 4.740 0.001 0.000 0.191 82 N C 1.652 177.248 175.510 0.143 0.000 1.023 82 N CA 1.592 54.726 53.050 0.140 0.000 0.857 82 N CB 0.025 38.702 38.487 0.315 0.000 1.013 82 N HN 0.115 nan 8.380 nan 0.000 0.426 83 V N 0.012 120.004 119.914 0.129 0.000 2.379 83 V HA -0.092 4.029 4.120 0.001 0.000 0.243 83 V C 2.316 178.415 176.094 0.008 0.000 1.035 83 V CA 2.060 64.412 62.300 0.087 0.000 1.035 83 V CB -0.725 31.149 31.823 0.084 0.000 0.673 83 V HN 0.569 nan 8.190 nan 0.000 0.457 84 T N -2.676 111.699 114.554 -0.299 0.000 3.057 84 T HA 0.064 4.414 4.350 0.001 0.000 0.254 84 T C 0.942 175.470 174.700 -0.286 0.000 1.094 84 T CA 0.521 62.201 62.100 -0.700 0.000 1.088 84 T CB 0.161 68.191 68.868 -1.397 0.000 0.934 84 T HN 0.470 nan 8.240 nan 0.000 0.497 85 E N 1.906 122.036 120.200 -0.117 0.000 4.052 85 E HA 0.218 4.568 4.350 0.001 0.000 0.219 85 E C -1.872 174.740 176.600 0.019 0.000 1.166 85 E CA -1.987 54.415 56.400 0.004 0.000 1.338 85 E CB 1.178 30.881 29.700 0.004 0.000 1.212 85 E HN 0.226 nan 8.360 nan 0.000 0.432 86 P HA -0.189 nan 4.420 nan 0.000 0.219 86 P C 1.437 178.722 177.300 -0.025 0.000 1.146 86 P CA 0.966 64.109 63.100 0.072 0.000 0.808 86 P CB -0.086 31.742 31.700 0.213 0.000 0.779 87 M N -3.884 115.663 119.600 -0.087 0.000 2.595 87 M HA 0.109 4.590 4.480 0.001 0.000 0.248 87 M C 1.203 177.428 176.300 -0.125 0.000 1.119 87 M CA 1.363 56.560 55.300 -0.171 0.000 1.079 87 M CB -0.963 31.497 32.600 -0.232 0.000 1.472 87 M HN -0.124 nan 8.290 nan 0.000 0.501 88 M N 0.789 120.350 119.600 -0.065 0.000 2.567 88 M HA 0.249 4.730 4.480 0.001 0.000 0.261 88 M C 0.731 177.011 176.300 -0.033 0.000 1.180 88 M CA 0.564 55.836 55.300 -0.046 0.000 1.143 88 M CB -0.143 32.443 32.600 -0.023 0.000 1.319 88 M HN 0.579 nan 8.290 nan 0.000 0.490 89 S N -1.479 114.207 115.700 -0.023 0.000 2.636 89 S HA 0.808 5.279 4.470 0.001 0.000 0.266 89 S C -0.361 174.236 174.600 -0.005 0.000 1.147 89 S CA -0.061 58.126 58.200 -0.021 0.000 0.815 89 S CB 1.596 64.778 63.200 -0.030 0.000 1.119 89 S HN 0.569 nan 8.310 nan 0.000 0.470 90 G N -0.027 108.763 108.800 -0.016 0.000 2.343 90 G HA2 0.329 4.289 3.960 0.001 0.000 0.289 90 G HA3 0.329 4.289 3.960 0.001 0.000 0.289 90 G C 0.324 175.213 174.900 -0.017 0.000 1.295 90 G CA -0.303 44.806 45.100 0.015 0.000 0.869 90 G HN 1.780 nan 8.290 nan 0.000 0.522 91 I N -1.185 119.401 120.570 0.027 0.000 2.916 91 I HA 0.223 4.393 4.170 0.001 0.000 0.267 91 I C 1.743 177.842 176.117 -0.030 0.000 1.263 91 I CA 1.462 62.701 61.300 -0.103 0.000 1.471 91 I CB -0.197 37.744 38.000 -0.099 0.000 1.089 91 I HN 0.542 nan 8.210 nan 0.000 0.468 92 G N 0.991 109.855 108.800 0.107 0.000 3.026 92 G HA2 0.436 4.396 3.960 0.001 0.000 0.208 92 G HA3 0.436 4.396 3.960 0.001 0.000 0.208 92 G C 0.559 175.495 174.900 0.060 0.000 1.169 92 G CA 0.387 45.581 45.100 0.157 0.000 0.788 92 G HN 0.598 nan 8.290 nan 0.000 0.533 93 G N -1.255 107.543 108.800 -0.004 0.000 3.291 93 G HA2 0.681 4.641 3.960 0.001 0.000 0.173 93 G HA3 0.681 4.641 3.960 0.001 0.000 0.173 93 G C -0.343 174.512 174.900 -0.074 0.000 1.099 93 G CA -0.037 45.045 45.100 -0.030 0.000 0.794 93 G HN 0.744 nan 8.290 nan 0.000 0.651 94 G N -2.552 106.200 108.800 -0.081 0.000 2.608 94 G HA2 0.726 4.686 3.960 0.001 0.000 0.291 94 G HA3 0.726 4.686 3.960 0.001 0.000 0.291 94 G C -0.681 174.125 174.900 -0.155 0.000 1.425 94 G CA 0.470 45.495 45.100 -0.124 0.000 0.787 94 G HN 1.662 nan 8.290 nan 0.000 0.484 95 G N -1.725 106.917 108.800 -0.265 0.000 2.619 95 G HA2 0.639 4.600 3.960 0.001 0.000 0.305 95 G HA3 0.639 4.600 3.960 0.001 0.000 0.305 95 G C -2.150 172.415 174.900 -0.560 0.000 1.330 95 G CA -0.695 44.234 45.100 -0.284 0.000 0.789 95 G HN 0.619 nan 8.290 nan 0.000 0.487 96 F N 0.596 120.551 119.950 0.009 0.000 2.507 96 F HA 0.628 5.155 4.527 0.001 0.000 0.328 96 F C 0.254 176.052 175.800 -0.004 0.000 1.136 96 F CA -0.607 57.399 58.000 0.010 0.000 0.930 96 F CB 2.488 41.491 39.000 0.004 0.000 1.166 96 F HN 0.330 nan 8.300 nan 0.000 0.436 97 M N 6.493 126.167 119.600 0.123 0.000 2.078 97 M HA 0.494 4.974 4.480 0.001 0.000 0.320 97 M C -1.495 174.842 176.300 0.062 0.000 0.969 97 M CA -0.499 54.840 55.300 0.065 0.000 0.929 97 M CB 1.328 33.950 32.600 0.036 0.000 1.504 97 M HN 0.792 nan 8.290 nan 0.000 0.419 98 M N 6.068 125.681 119.600 0.021 0.000 2.209 98 M HA 0.584 5.065 4.480 0.001 0.000 0.355 98 M C -1.933 174.320 176.300 -0.077 0.000 1.171 98 M CA -0.502 54.792 55.300 -0.010 0.000 1.069 98 M CB 1.187 33.765 32.600 -0.036 0.000 1.622 98 M HN 0.552 nan 8.290 nan 0.000 0.459 99 V N 5.623 125.464 119.914 -0.123 0.000 2.577 99 V HA 0.332 4.452 4.120 0.001 0.000 0.303 99 V C -1.441 174.541 176.094 -0.187 0.000 1.042 99 V CA -0.733 61.385 62.300 -0.304 0.000 0.872 99 V CB 1.551 32.874 31.823 -0.832 0.000 0.998 99 V HN 0.770 nan 8.190 nan 0.000 0.423 100 Y N 3.788 123.949 120.300 -0.232 0.000 2.328 100 Y HA 0.553 5.104 4.550 0.001 0.000 0.337 100 Y C -0.092 175.695 175.900 -0.188 0.000 1.008 100 Y CA -0.853 57.176 58.100 -0.118 0.000 1.129 100 Y CB 1.278 39.706 38.460 -0.053 0.000 1.185 100 Y HN 0.722 nan 8.280 nan 0.000 0.476 101 D N 4.081 124.001 120.400 -0.800 0.000 2.313 101 D HA 0.191 4.832 4.640 0.001 0.000 0.239 101 D C 0.972 176.817 176.300 -0.759 0.000 1.142 101 D CA 0.119 53.764 54.000 -0.591 0.000 0.847 101 D CB 1.572 42.275 40.800 -0.161 0.000 1.082 101 D HN 0.970 nan 8.370 nan 0.000 0.480 102 G N 3.596 112.131 108.800 -0.441 0.000 2.598 102 G HA2 -0.183 3.778 3.960 0.001 0.000 0.215 102 G HA3 -0.183 3.778 3.960 0.001 0.000 0.215 102 G C 1.334 176.167 174.900 -0.112 0.000 1.131 102 G CA 0.503 45.467 45.100 -0.226 0.000 0.785 102 G HN 0.441 nan 8.290 nan 0.000 0.539 103 K N -0.024 120.316 120.400 -0.099 0.000 2.121 103 K HA 0.029 4.349 4.320 0.001 0.000 0.203 103 K C 2.690 179.276 176.600 -0.024 0.000 1.041 103 K CA 1.419 57.691 56.287 -0.025 0.000 0.969 103 K CB -0.143 32.367 32.500 0.016 0.000 0.799 103 K HN 0.283 nan 8.250 nan 0.000 0.456 104 T N -1.167 113.366 114.554 -0.035 0.000 3.081 104 T HA 0.115 4.466 4.350 0.001 0.000 0.250 104 T C 0.506 175.192 174.700 -0.023 0.000 1.100 104 T CA -0.055 62.040 62.100 -0.009 0.000 1.038 104 T CB 0.095 68.981 68.868 0.029 0.000 0.962 104 T HN 0.010 nan 8.240 nan 0.000 0.516 105 K N 0.336 120.661 120.400 -0.126 0.000 3.529 105 K HA -0.119 4.201 4.320 0.001 0.000 0.313 105 K C -0.859 175.794 176.600 0.088 0.000 1.316 105 K CA 1.156 57.419 56.287 -0.040 0.000 0.988 105 K CB -2.234 30.345 32.500 0.130 0.000 1.252 105 K HN 0.555 nan 8.250 nan 0.000 0.438 106 D N 1.058 121.469 120.400 0.018 0.000 2.253 106 D HA 0.307 4.947 4.640 0.001 0.000 0.249 106 D C 0.136 176.544 176.300 0.180 0.000 1.049 106 D CA 0.081 54.171 54.000 0.151 0.000 0.929 106 D CB 1.061 41.943 40.800 0.137 0.000 1.176 106 D HN -0.107 nan 8.370 nan 0.000 0.437 107 T N 0.653 115.401 114.554 0.325 0.000 2.807 107 T HA 0.602 4.953 4.350 0.001 0.000 0.279 107 T C 0.172 175.006 174.700 0.223 0.000 0.993 107 T CA -0.694 61.578 62.100 0.287 0.000 0.970 107 T CB 1.379 70.458 68.868 0.352 0.000 0.950 107 T HN 0.481 nan 8.240 nan 0.000 0.441 108 T N 0.164 114.825 114.554 0.179 0.000 2.883 108 T HA 0.802 5.152 4.350 0.001 0.000 0.296 108 T C -0.889 173.905 174.700 0.155 0.000 1.117 108 T CA -0.871 61.344 62.100 0.191 0.000 1.006 108 T CB 1.060 70.094 68.868 0.276 0.000 1.191 108 T HN 0.433 nan 8.240 nan 0.000 0.508 109 I N 1.636 122.296 120.570 0.150 0.000 2.406 109 I HA 0.395 4.566 4.170 0.001 0.000 0.290 109 I C -0.622 175.596 176.117 0.167 0.000 0.999 109 I CA -1.248 60.140 61.300 0.147 0.000 1.124 109 I CB 1.829 39.912 38.000 0.137 0.000 1.289 109 I HN 0.517 nan 8.210 nan 0.000 0.441 110 I N 5.140 125.809 120.570 0.166 0.000 2.291 110 I HA 0.154 4.325 4.170 0.001 0.000 0.292 110 I C -0.039 176.119 176.117 0.068 0.000 1.064 110 I CA -0.141 61.232 61.300 0.121 0.000 1.269 110 I CB 0.477 38.558 38.000 0.134 0.000 1.418 110 I HN 0.506 nan 8.210 nan 0.000 0.485 111 D N 4.529 124.959 120.400 0.050 0.000 2.347 111 D HA 0.160 4.801 4.640 0.001 0.000 0.235 111 D C 0.275 176.508 176.300 -0.112 0.000 1.149 111 D CA 0.074 54.050 54.000 -0.040 0.000 0.850 111 D CB 1.076 41.943 40.800 0.112 0.000 1.061 111 D HN 0.307 nan 8.370 nan 0.000 0.487 112 S N 2.829 118.384 115.700 -0.242 0.000 2.601 112 S HA 0.112 4.583 4.470 0.001 0.000 0.244 112 S C 0.499 175.040 174.600 -0.098 0.000 1.001 112 S CA -0.576 57.579 58.200 -0.075 0.000 0.984 112 S CB -0.025 63.120 63.200 -0.092 0.000 0.842 112 S HN 0.359 nan 8.310 nan 0.000 0.474 113 R N 2.713 123.071 120.500 -0.236 0.000 2.585 113 R HA 0.079 4.420 4.340 0.001 0.000 0.275 113 R C -0.182 176.177 176.300 0.098 0.000 1.018 113 R CA 0.282 56.292 56.100 -0.150 0.000 1.072 113 R CB 0.051 30.293 30.300 -0.097 0.000 0.953 113 R HN 0.184 nan 8.270 nan 0.000 0.419 114 E N 2.919 123.156 120.200 0.061 0.000 2.408 114 E HA 0.156 4.506 4.350 0.001 0.000 0.259 114 E C -0.167 176.546 176.600 0.188 0.000 1.110 114 E CA 0.251 56.710 56.400 0.098 0.000 0.929 114 E CB 0.489 30.209 29.700 0.033 0.000 0.971 114 E HN 0.353 nan 8.360 nan 0.000 0.438 115 R N 0.780 121.427 120.500 0.245 0.000 2.637 115 R HA 0.609 4.950 4.340 0.001 0.000 0.291 115 R C -0.625 175.757 176.300 0.135 0.000 0.963 115 R CA -1.090 55.135 56.100 0.208 0.000 0.901 115 R CB 1.869 32.342 30.300 0.288 0.000 1.160 115 R HN 0.596 nan 8.270 nan 0.000 0.457 116 A N 4.314 127.181 122.820 0.078 0.000 2.445 116 A HA 0.322 4.642 4.320 0.001 0.000 0.242 116 A C -1.740 175.884 177.584 0.067 0.000 1.075 116 A CA -0.936 51.133 52.037 0.053 0.000 0.777 116 A CB -0.345 18.655 19.000 0.000 0.000 1.013 116 A HN 0.446 nan 8.150 nan 0.000 0.493 117 P HA 0.181 nan 4.420 nan 0.000 0.273 117 P C 0.756 178.086 177.300 0.050 0.000 1.250 117 P CA 0.409 63.547 63.100 0.063 0.000 0.793 117 P CB 0.771 32.498 31.700 0.045 0.000 1.011 118 A N 1.504 124.359 122.820 0.059 0.000 1.972 118 A HA -0.068 4.253 4.320 0.001 0.000 0.219 118 A C 2.172 179.775 177.584 0.032 0.000 1.169 118 A CA 1.953 54.022 52.037 0.054 0.000 0.635 118 A CB -1.678 17.355 19.000 0.056 0.000 0.810 118 A HN 0.683 nan 8.150 nan 0.000 0.446 119 G N -1.017 107.794 108.800 0.019 0.000 2.920 119 G HA2 0.393 4.354 3.960 0.001 0.000 0.208 119 G HA3 0.393 4.354 3.960 0.001 0.000 0.208 119 G C 0.637 175.524 174.900 -0.021 0.000 1.159 119 G CA 0.569 45.670 45.100 0.002 0.000 0.784 119 G HN 0.768 nan 8.290 nan 0.000 0.535 120 A N 0.412 123.215 122.820 -0.028 0.000 2.366 120 A HA 0.648 4.969 4.320 0.001 0.000 0.249 120 A C 0.628 178.169 177.584 -0.071 0.000 1.084 120 A CA 0.540 52.533 52.037 -0.074 0.000 0.794 120 A CB 0.340 19.295 19.000 -0.076 0.000 1.034 120 A HN 0.617 nan 8.150 nan 0.000 0.491 121 T N -1.400 113.087 114.554 -0.112 0.000 2.903 121 T HA 0.586 4.936 4.350 0.001 0.000 0.299 121 T C -2.414 172.225 174.700 -0.101 0.000 1.093 121 T CA -1.409 60.643 62.100 -0.080 0.000 1.002 121 T CB 1.482 70.312 68.868 -0.064 0.000 1.127 121 T HN 0.233 nan 8.240 nan 0.000 0.488 122 P HA -0.104 nan 4.420 nan 0.000 0.217 122 P C 0.533 177.813 177.300 -0.033 0.000 1.151 122 P CA 1.452 64.535 63.100 -0.028 0.000 0.849 122 P CB -0.069 31.635 31.700 0.007 0.000 0.787 123 D N -1.581 118.792 120.400 -0.044 0.000 2.525 123 D HA 0.020 4.660 4.640 0.001 0.000 0.229 123 D C 1.261 177.515 176.300 -0.077 0.000 1.202 123 D CA -0.180 53.803 54.000 -0.027 0.000 0.828 123 D CB -1.279 39.521 40.800 0.001 0.000 1.008 123 D HN 0.249 nan 8.370 nan 0.000 0.493 124 M N -2.281 117.195 119.600 -0.206 0.000 2.446 124 M HA 0.080 4.561 4.480 0.001 0.000 0.263 124 M C 0.065 176.177 176.300 -0.312 0.000 1.066 124 M CA 1.070 56.184 55.300 -0.310 0.000 1.087 124 M CB -0.473 31.843 32.600 -0.474 0.000 1.406 124 M HN -0.143 nan 8.290 nan 0.000 0.459 125 F N 1.451 121.411 119.950 0.018 0.000 2.639 125 F HA 0.509 5.036 4.527 0.001 0.000 0.300 125 F C 0.169 175.984 175.800 0.024 0.000 1.109 125 F CA -0.664 57.349 58.000 0.021 0.000 1.335 125 F CB -0.143 38.874 39.000 0.029 0.000 1.014 125 F HN 0.023 nan 8.300 nan 0.000 0.537 126 L N 0.353 121.658 121.223 0.137 0.000 2.334 126 L HA 0.367 4.708 4.340 0.001 0.000 0.272 126 L C 0.051 176.962 176.870 0.068 0.000 1.020 126 L CA -1.164 53.735 54.840 0.098 0.000 0.812 126 L CB 1.244 43.343 42.059 0.067 0.000 1.264 126 L HN 0.021 nan 8.230 nan 0.000 0.439 127 D N -0.385 120.050 120.400 0.058 0.000 2.440 127 D HA -0.001 4.639 4.640 0.001 0.000 0.269 127 D C 0.786 177.104 176.300 0.029 0.000 1.249 127 D CA -0.460 53.565 54.000 0.042 0.000 1.055 127 D CB 0.373 41.196 40.800 0.039 0.000 1.104 127 D HN 0.666 nan 8.370 nan 0.000 0.561 128 E N -1.274 118.940 120.200 0.022 0.000 2.265 128 E HA -0.259 4.091 4.350 0.001 0.000 0.196 128 E C 1.212 177.822 176.600 0.017 0.000 0.996 128 E CA 0.889 57.299 56.400 0.016 0.000 0.832 128 E CB -0.479 29.229 29.700 0.013 0.000 0.756 128 E HN 0.527 nan 8.360 nan 0.000 0.491 129 N N 0.268 118.979 118.700 0.020 0.000 2.336 129 N HA -0.018 4.723 4.740 0.001 0.000 0.189 129 N C 0.848 176.371 175.510 0.022 0.000 1.113 129 N CA 0.694 53.755 53.050 0.018 0.000 0.858 129 N CB 0.445 38.943 38.487 0.018 0.000 0.970 129 N HN 0.330 nan 8.380 nan 0.000 0.471 130 G N 1.518 110.334 108.800 0.026 0.000 2.157 130 G HA2 -0.280 3.681 3.960 0.001 0.000 0.248 130 G HA3 -0.280 3.681 3.960 0.001 0.000 0.248 130 G C -0.050 174.872 174.900 0.036 0.000 0.979 130 G CA 0.365 45.483 45.100 0.030 0.000 0.650 130 G HN 0.517 nan 8.290 nan 0.000 0.529 131 K N 0.712 121.134 120.400 0.038 0.000 2.110 131 K HA 0.763 5.084 4.320 0.001 0.000 0.263 131 K C 0.824 177.459 176.600 0.058 0.000 0.975 131 K CA -0.114 56.198 56.287 0.041 0.000 0.895 131 K CB 1.050 33.570 32.500 0.033 0.000 1.060 131 K HN 0.627 nan 8.250 nan 0.000 0.448 132 A N 4.273 127.132 122.820 0.065 0.000 2.462 132 A HA 0.181 4.502 4.320 0.001 0.000 0.243 132 A C 0.176 177.811 177.584 0.084 0.000 1.076 132 A CA -0.289 51.801 52.037 0.089 0.000 0.773 132 A CB -0.160 18.891 19.000 0.085 0.000 1.010 132 A HN 0.790 nan 8.150 nan 0.000 0.493 133 I N 3.261 123.894 120.570 0.105 0.000 2.618 133 I HA 0.067 4.237 4.170 0.001 0.000 0.284 133 I C -1.839 174.319 176.117 0.067 0.000 1.146 133 I CA -1.320 60.031 61.300 0.084 0.000 1.425 133 I CB 0.686 38.752 38.000 0.110 0.000 1.383 133 I HN 0.448 nan 8.210 nan 0.000 0.562 134 P HA -0.147 nan 4.420 nan 0.000 0.263 134 P C 0.386 177.730 177.300 0.074 0.000 1.168 134 P CA 0.354 63.495 63.100 0.069 0.000 0.759 134 P CB 0.344 32.073 31.700 0.049 0.000 0.782 135 F N 3.973 123.901 119.950 -0.036 0.000 2.065 135 F HA -0.298 4.230 4.527 0.001 0.000 0.298 135 F C 2.315 178.089 175.800 -0.043 0.000 1.112 135 F CA 2.633 60.596 58.000 -0.061 0.000 1.212 135 F CB -0.777 38.185 39.000 -0.063 0.000 0.975 135 F HN 0.348 nan 8.300 nan 0.000 0.476 136 S N -0.898 114.819 115.700 0.028 0.000 2.419 136 S HA -0.287 4.183 4.470 0.001 0.000 0.235 136 S C 1.941 176.473 174.600 -0.114 0.000 1.019 136 S CA 1.438 59.603 58.200 -0.057 0.000 0.982 136 S CB -0.777 62.449 63.200 0.043 0.000 0.789 136 S HN 0.748 nan 8.310 nan 0.000 0.490 137 E N 1.233 121.385 120.200 -0.081 0.000 2.140 137 E HA 0.012 4.363 4.350 0.001 0.000 0.191 137 E C 2.383 178.929 176.600 -0.090 0.000 0.973 137 E CA 0.123 56.491 56.400 -0.054 0.000 0.829 137 E CB -0.139 29.556 29.700 -0.009 0.000 0.781 137 E HN 0.547 nan 8.360 nan 0.000 0.466 138 R N 0.284 120.692 120.500 -0.154 0.000 2.096 138 R HA -0.101 4.240 4.340 0.001 0.000 0.235 138 R C 2.124 178.264 176.300 -0.266 0.000 1.127 138 R CA 1.231 57.223 56.100 -0.180 0.000 0.968 138 R CB -0.125 30.006 30.300 -0.282 0.000 0.861 138 R HN 0.137 nan 8.270 nan 0.000 0.440 139 V N 0.603 120.258 119.914 -0.432 0.000 2.594 139 V HA -0.193 3.928 4.120 0.001 0.000 0.253 139 V C 2.131 178.111 176.094 -0.190 0.000 1.069 139 V CA 2.181 64.240 62.300 -0.401 0.000 1.082 139 V CB -0.218 31.286 31.823 -0.533 0.000 0.680 139 V HN 0.659 nan 8.190 nan 0.000 0.469 140 T N -3.527 110.957 114.554 -0.117 0.000 3.107 140 T HA 0.122 4.472 4.350 0.001 0.000 0.249 140 T C 0.699 175.403 174.700 0.006 0.000 1.096 140 T CA -0.101 61.967 62.100 -0.053 0.000 1.012 140 T CB -0.038 68.825 68.868 -0.009 0.000 0.977 140 T HN 0.335 nan 8.240 nan 0.000 0.527 141 K N 0.646 121.065 120.400 0.032 0.000 2.202 141 K HA 0.487 4.808 4.320 0.001 0.000 0.264 141 K C 1.620 178.283 176.600 0.104 0.000 1.010 141 K CA -0.042 56.307 56.287 0.103 0.000 0.940 141 K CB 0.753 33.328 32.500 0.125 0.000 0.983 141 K HN 0.175 nan 8.250 nan 0.000 0.475 142 G N 0.441 109.331 108.800 0.149 0.000 2.432 142 G HA2 -0.255 3.706 3.960 0.001 0.000 0.219 142 G HA3 -0.255 3.706 3.960 0.001 0.000 0.219 142 G C 1.333 176.286 174.900 0.088 0.000 1.135 142 G CA 1.358 46.531 45.100 0.123 0.000 0.767 142 G HN 0.761 nan 8.290 nan 0.000 0.550 143 T N -0.909 113.703 114.554 0.097 0.000 2.977 143 T HA 0.185 4.535 4.350 0.001 0.000 0.271 143 T C 2.276 177.080 174.700 0.174 0.000 1.105 143 T CA 1.371 63.511 62.100 0.065 0.000 1.116 143 T CB -0.127 68.741 68.868 -0.001 0.000 0.878 143 T HN 0.319 nan 8.240 nan 0.000 0.509 144 A N 0.871 123.828 122.820 0.229 0.000 2.218 144 A HA 0.463 4.783 4.320 0.001 0.000 0.209 144 A C 1.033 178.689 177.584 0.120 0.000 1.168 144 A CA -0.193 51.987 52.037 0.237 0.000 0.804 144 A CB -0.160 18.895 19.000 0.092 0.000 0.834 144 A HN 0.426 nan 8.150 nan 0.000 0.482 145 V N 1.268 121.226 119.914 0.075 0.000 2.439 145 V HA 0.432 4.552 4.120 0.001 0.000 0.271 145 V C 1.055 177.182 176.094 0.055 0.000 1.040 145 V CA -0.105 62.219 62.300 0.040 0.000 1.002 145 V CB 0.448 32.276 31.823 0.009 0.000 1.000 145 V HN 0.384 nan 8.190 nan 0.000 0.477 146 G N 3.602 112.434 108.800 0.054 0.000 2.476 146 G HA2 0.442 4.402 3.960 0.001 0.000 0.286 146 G HA3 0.442 4.402 3.960 0.001 0.000 0.286 146 G C -0.308 174.620 174.900 0.046 0.000 1.177 146 G CA -0.580 44.557 45.100 0.061 0.000 0.870 146 G HN 0.556 nan 8.290 nan 0.000 0.528 147 V N 3.474 123.424 119.914 0.061 0.000 2.425 147 V HA 0.067 4.188 4.120 0.001 0.000 0.276 147 V C -1.651 174.368 176.094 -0.124 0.000 1.017 147 V CA -0.735 61.589 62.300 0.039 0.000 1.062 147 V CB 0.776 32.684 31.823 0.143 0.000 0.997 147 V HN 0.521 nan 8.190 nan 0.000 0.476 148 P HA 0.086 nan 4.420 nan 0.000 0.264 148 P C 0.806 177.895 177.300 -0.351 0.000 1.183 148 P CA 0.543 63.592 63.100 -0.085 0.000 0.763 148 P CB 0.732 32.527 31.700 0.158 0.000 0.807 149 G N 1.426 110.008 108.800 -0.364 0.000 2.833 149 G HA2 -0.050 3.911 3.960 0.001 0.000 0.214 149 G HA3 -0.050 3.911 3.960 0.001 0.000 0.214 149 G C 1.213 176.056 174.900 -0.094 0.000 1.075 149 G CA 0.151 45.042 45.100 -0.349 0.000 0.799 149 G HN 0.342 nan 8.290 nan 0.000 0.541 150 T N 1.790 116.254 114.554 -0.151 0.000 2.624 150 T HA -0.224 4.127 4.350 0.001 0.000 0.268 150 T C 2.238 176.825 174.700 -0.188 0.000 1.041 150 T CA 1.608 63.606 62.100 -0.169 0.000 1.159 150 T CB -0.232 68.520 68.868 -0.195 0.000 0.863 150 T HN 0.141 nan 8.240 nan 0.000 0.434 151 L N 1.074 122.149 121.223 -0.246 0.000 2.046 151 L HA -0.031 4.309 4.340 0.001 0.000 0.208 151 L C 2.261 179.109 176.870 -0.037 0.000 1.077 151 L CA 1.833 56.554 54.840 -0.197 0.000 0.747 151 L CB -0.520 41.319 42.059 -0.368 0.000 0.896 151 L HN -0.015 nan 8.230 nan 0.000 0.432 152 K N -0.288 120.137 120.400 0.040 0.000 2.097 152 K HA -0.069 4.251 4.320 0.001 0.000 0.206 152 K C 1.965 178.560 176.600 -0.008 0.000 1.049 152 K CA 1.281 57.563 56.287 -0.007 0.000 0.933 152 K CB -0.833 31.640 32.500 -0.045 0.000 0.717 152 K HN 0.553 nan 8.250 nan 0.000 0.442 153 G N 0.980 109.776 108.800 -0.008 0.000 2.403 153 G HA2 -0.163 3.798 3.960 0.001 0.000 0.216 153 G HA3 -0.163 3.798 3.960 0.001 0.000 0.216 153 G C 1.674 176.558 174.900 -0.026 0.000 1.154 153 G CA 0.254 45.346 45.100 -0.013 0.000 0.784 153 G HN 0.164 nan 8.290 nan 0.000 0.538 154 L N 0.207 121.385 121.223 -0.075 0.000 2.056 154 L HA -0.028 4.313 4.340 0.001 0.000 0.207 154 L C 2.696 179.559 176.870 -0.013 0.000 1.078 154 L CA 1.533 56.324 54.840 -0.082 0.000 0.749 154 L CB -0.465 41.464 42.059 -0.217 0.000 0.901 154 L HN 0.360 nan 8.230 nan 0.000 0.433 155 E N 0.856 121.052 120.200 -0.007 0.000 2.038 155 E HA -0.324 4.026 4.350 0.001 0.000 0.195 155 E C 2.056 178.649 176.600 -0.013 0.000 1.000 155 E CA 1.808 58.212 56.400 0.007 0.000 0.803 155 E CB 0.019 29.725 29.700 0.011 0.000 0.750 155 E HN 0.376 nan 8.360 nan 0.000 0.448 156 E N 0.501 120.685 120.200 -0.026 0.000 2.070 156 E HA -0.220 4.131 4.350 0.001 0.000 0.197 156 E C 1.798 178.357 176.600 -0.068 0.000 1.004 156 E CA 1.829 58.195 56.400 -0.058 0.000 0.805 156 E CB -0.482 29.188 29.700 -0.051 0.000 0.744 156 E HN 0.387 nan 8.360 nan 0.000 0.451 157 A N 0.526 123.367 122.820 0.036 0.000 1.883 157 A HA -0.167 4.154 4.320 0.001 0.000 0.217 157 A C 2.381 180.056 177.584 0.151 0.000 1.186 157 A CA 1.657 53.809 52.037 0.192 0.000 0.624 157 A CB -0.859 18.294 19.000 0.255 0.000 0.822 157 A HN 0.362 nan 8.150 nan 0.000 0.444 158 L N -0.667 120.604 121.223 0.081 0.000 2.046 158 L HA -0.215 4.125 4.340 0.001 0.000 0.208 158 L C 2.435 179.308 176.870 0.005 0.000 1.077 158 L CA 1.873 56.753 54.840 0.066 0.000 0.747 158 L CB -0.676 41.413 42.059 0.051 0.000 0.896 158 L HN 0.563 nan 8.230 nan 0.000 0.432 159 D N 0.181 120.551 120.400 -0.050 0.000 2.123 159 D HA -0.224 4.417 4.640 0.001 0.000 0.196 159 D C 2.175 178.361 176.300 -0.190 0.000 0.992 159 D CA 1.565 55.505 54.000 -0.100 0.000 0.833 159 D CB 0.174 40.908 40.800 -0.109 0.000 0.954 159 D HN 0.110 nan 8.370 nan 0.000 0.455 160 K N -1.215 118.973 120.400 -0.353 0.000 2.076 160 K HA 0.001 4.322 4.320 0.001 0.000 0.204 160 K C 1.042 177.269 176.600 -0.622 0.000 1.051 160 K CA 0.905 56.777 56.287 -0.693 0.000 0.949 160 K CB 0.129 31.744 32.500 -1.475 0.000 0.726 160 K HN 0.361 nan 8.250 nan 0.000 0.443 161 W N 0.115 121.405 121.300 -0.017 0.000 2.324 161 W HA 0.291 4.952 4.660 0.001 0.000 0.316 161 W C 0.516 177.027 176.519 -0.013 0.000 0.927 161 W CA -0.536 56.798 57.345 -0.019 0.000 1.438 161 W CB -0.413 29.033 29.460 -0.023 0.000 1.085 161 W HN -0.070 nan 8.180 nan 0.000 0.532 162 G N 1.379 110.285 108.800 0.176 0.000 2.559 162 G HA2 0.223 4.184 3.960 0.001 0.000 0.235 162 G HA3 0.223 4.184 3.960 0.001 0.000 0.235 162 G C 0.878 175.826 174.900 0.079 0.000 1.266 162 G CA 1.100 46.270 45.100 0.117 0.000 0.847 162 G HN 0.044 nan 8.290 nan 0.000 0.583 163 T N -2.115 112.478 114.554 0.065 0.000 3.087 163 T HA 0.326 4.676 4.350 0.001 0.000 0.283 163 T C 0.692 175.413 174.700 0.035 0.000 0.956 163 T CA -0.361 61.766 62.100 0.046 0.000 0.894 163 T CB 0.446 69.341 68.868 0.045 0.000 1.160 163 T HN 0.367 nan 8.240 nan 0.000 0.532 164 R N 2.081 122.604 120.500 0.038 0.000 2.750 164 R HA 0.650 4.991 4.340 0.001 0.000 0.281 164 R C -0.215 176.102 176.300 0.028 0.000 0.972 164 R CA -0.404 55.714 56.100 0.029 0.000 0.912 164 R CB 1.861 32.179 30.300 0.031 0.000 1.187 164 R HN 0.462 nan 8.270 nan 0.000 0.464 165 S N 0.517 116.227 115.700 0.018 0.000 2.617 165 S HA 0.123 4.593 4.470 0.001 0.000 0.269 165 S C 1.341 175.948 174.600 0.012 0.000 1.292 165 S CA -0.610 57.598 58.200 0.013 0.000 1.010 165 S CB 0.984 64.185 63.200 0.002 0.000 0.944 165 S HN 0.769 nan 8.310 nan 0.000 0.536 166 M N 1.184 120.792 119.600 0.014 0.000 2.202 166 M HA -0.134 4.347 4.480 0.001 0.000 0.262 166 M C 1.860 178.122 176.300 -0.063 0.000 1.063 166 M CA 1.651 56.956 55.300 0.009 0.000 1.097 166 M CB -0.369 32.244 32.600 0.021 0.000 1.382 166 M HN 0.814 nan 8.290 nan 0.000 0.413 167 K N -0.184 120.185 120.400 -0.052 0.000 2.032 167 K HA -0.216 4.105 4.320 0.001 0.000 0.209 167 K C 2.009 178.571 176.600 -0.063 0.000 1.048 167 K CA 2.138 58.385 56.287 -0.066 0.000 0.927 167 K CB -0.224 32.254 32.500 -0.037 0.000 0.712 167 K HN 0.546 nan 8.250 nan 0.000 0.441 168 Q N 0.414 120.194 119.800 -0.033 0.000 2.079 168 Q HA -0.080 4.260 4.340 0.001 0.000 0.200 168 Q C 2.160 178.144 176.000 -0.026 0.000 0.974 168 Q CA 1.150 56.940 55.803 -0.022 0.000 0.840 168 Q CB -0.040 28.696 28.738 -0.003 0.000 0.898 168 Q HN 0.277 nan 8.270 nan 0.000 0.430 169 L N 0.024 121.237 121.223 -0.018 0.000 2.156 169 L HA -0.093 4.247 4.340 0.001 0.000 0.208 169 L C 2.298 179.141 176.870 -0.045 0.000 1.095 169 L CA 0.687 55.532 54.840 0.009 0.000 0.770 169 L CB -0.180 41.923 42.059 0.073 0.000 0.914 169 L HN 0.254 nan 8.230 nan 0.000 0.439 170 I N -0.818 119.621 120.570 -0.218 0.000 2.876 170 I HA -0.175 3.996 4.170 0.001 0.000 0.264 170 I C 2.198 178.147 176.117 -0.281 0.000 1.204 170 I CA 0.633 61.609 61.300 -0.541 0.000 1.485 170 I CB 0.127 37.505 38.000 -1.036 0.000 1.103 170 I HN 0.168 nan 8.210 nan 0.000 0.446 171 T N 2.386 116.851 114.554 -0.148 0.000 2.699 171 T HA -0.096 4.255 4.350 0.001 0.000 0.268 171 T C -0.649 174.040 174.700 -0.017 0.000 1.036 171 T CA 1.761 63.822 62.100 -0.066 0.000 1.147 171 T CB -1.177 67.666 68.868 -0.041 0.000 0.862 171 T HN 0.335 nan 8.240 nan 0.000 0.446 172 P HA 0.034 nan 4.420 nan 0.000 0.218 172 P C 1.523 178.850 177.300 0.045 0.000 1.149 172 P CA 0.932 64.044 63.100 0.021 0.000 0.817 172 P CB -0.049 31.665 31.700 0.023 0.000 0.785 173 S N -1.265 114.470 115.700 0.059 0.000 2.461 173 S HA 0.034 4.505 4.470 0.001 0.000 0.228 173 S C 1.782 176.513 174.600 0.219 0.000 1.005 173 S CA 0.482 58.774 58.200 0.154 0.000 0.942 173 S CB -0.826 62.523 63.200 0.249 0.000 0.776 173 S HN 0.110 nan 8.310 nan 0.000 0.514 174 I N 1.670 122.346 120.570 0.176 0.000 2.226 174 I HA -0.228 3.943 4.170 0.001 0.000 0.245 174 I C 2.258 178.419 176.117 0.073 0.000 1.100 174 I CA 1.211 62.601 61.300 0.151 0.000 1.374 174 I CB -0.186 37.867 38.000 0.088 0.000 1.057 174 I HN 0.227 nan 8.210 nan 0.000 0.413 175 K N 0.207 120.644 120.400 0.061 0.000 2.057 175 K HA -0.187 4.133 4.320 0.001 0.000 0.207 175 K C 1.980 178.620 176.600 0.068 0.000 1.049 175 K CA 1.232 57.549 56.287 0.051 0.000 0.931 175 K CB -0.239 32.287 32.500 0.044 0.000 0.714 175 K HN 0.111 nan 8.250 nan 0.000 0.440 176 L N 0.796 122.070 121.223 0.085 0.000 2.083 176 L HA -0.132 4.208 4.340 0.001 0.000 0.209 176 L C 2.350 179.314 176.870 0.157 0.000 1.083 176 L CA 1.641 56.558 54.840 0.127 0.000 0.752 176 L CB -0.946 41.157 42.059 0.072 0.000 0.899 176 L HN 0.163 nan 8.230 nan 0.000 0.433 177 A N -1.080 121.791 122.820 0.084 0.000 1.872 177 A HA -0.196 4.124 4.320 0.001 0.000 0.214 177 A C 2.350 179.927 177.584 -0.011 0.000 1.187 177 A CA 1.498 53.544 52.037 0.015 0.000 0.614 177 A CB -0.466 18.459 19.000 -0.123 0.000 0.826 177 A HN 0.413 nan 8.150 nan 0.000 0.442 178 E N -0.258 119.938 120.200 -0.007 0.000 2.028 178 E HA -0.130 4.220 4.350 0.001 0.000 0.191 178 E C 1.631 178.229 176.600 -0.004 0.000 0.988 178 E CA 1.334 57.726 56.400 -0.014 0.000 0.799 178 E CB -0.020 29.678 29.700 -0.003 0.000 0.755 178 E HN 0.541 nan 8.360 nan 0.000 0.447 179 K N -0.422 119.990 120.400 0.021 0.000 2.404 179 K HA 0.176 4.497 4.320 0.001 0.000 0.194 179 K C 0.405 177.023 176.600 0.031 0.000 1.023 179 K CA 0.248 56.548 56.287 0.022 0.000 1.094 179 K CB 1.065 33.584 32.500 0.032 0.000 0.841 179 K HN 0.276 nan 8.250 nan 0.000 0.523 180 G N 1.827 110.659 108.800 0.054 0.000 2.855 180 G HA2 -0.247 3.714 3.960 0.001 0.000 0.352 180 G HA3 -0.247 3.714 3.960 0.001 0.000 0.352 180 G C -0.514 174.494 174.900 0.181 0.000 1.415 180 G CA -0.225 44.907 45.100 0.055 0.000 0.871 180 G HN 0.303 nan 8.290 nan 0.000 0.543 181 F N -2.396 117.562 119.950 0.013 0.000 2.693 181 F HA 0.817 5.345 4.527 0.001 0.000 0.309 181 F C -2.758 173.069 175.800 0.044 0.000 1.129 181 F CA -2.065 55.956 58.000 0.035 0.000 0.948 181 F CB 1.562 40.585 39.000 0.039 0.000 1.315 181 F HN 0.585 nan 8.300 nan 0.000 0.447 182 P HA 0.319 nan 4.420 nan 0.000 0.280 182 P C -0.520 176.813 177.300 0.056 0.000 1.244 182 P CA -0.057 63.040 63.100 -0.005 0.000 0.784 182 P CB 1.713 33.464 31.700 0.085 0.000 0.913 183 I N 0.521 121.059 120.570 -0.054 0.000 2.440 183 I HA 0.348 4.519 4.170 0.001 0.000 0.294 183 I C 0.149 176.337 176.117 0.119 0.000 0.995 183 I CA -0.795 60.557 61.300 0.087 0.000 1.306 183 I CB 0.873 38.892 38.000 0.032 0.000 1.407 183 I HN 0.181 nan 8.210 nan 0.000 0.501 184 D N 3.891 124.391 120.400 0.167 0.000 2.440 184 D HA 0.148 4.789 4.640 0.001 0.000 0.269 184 D C 1.289 177.639 176.300 0.084 0.000 1.249 184 D CA -0.071 53.996 54.000 0.111 0.000 1.055 184 D CB 0.320 41.181 40.800 0.102 0.000 1.104 184 D HN 0.652 nan 8.370 nan 0.000 0.561 185 S N -0.859 114.878 115.700 0.062 0.000 2.356 185 S HA -0.179 4.291 4.470 0.001 0.000 0.223 185 S C 2.068 176.702 174.600 0.056 0.000 1.032 185 S CA 1.196 59.425 58.200 0.050 0.000 1.005 185 S CB -1.110 62.112 63.200 0.037 0.000 0.867 185 S HN 0.367 nan 8.310 nan 0.000 0.449 186 V N 2.278 122.227 119.914 0.059 0.000 2.255 186 V HA -0.153 3.968 4.120 0.001 0.000 0.247 186 V C 2.544 178.684 176.094 0.076 0.000 1.051 186 V CA 2.005 64.342 62.300 0.062 0.000 1.018 186 V CB -0.989 30.867 31.823 0.056 0.000 0.641 186 V HN 0.483 nan 8.190 nan 0.000 0.445 187 L N 0.782 122.066 121.223 0.103 0.000 2.093 187 L HA -0.023 4.317 4.340 0.001 0.000 0.208 187 L C 2.393 179.318 176.870 0.092 0.000 1.085 187 L CA 2.227 57.134 54.840 0.111 0.000 0.755 187 L CB -1.018 41.150 42.059 0.182 0.000 0.904 187 L HN 0.219 nan 8.230 nan 0.000 0.435 188 A N -0.661 122.211 122.820 0.086 0.000 1.902 188 A HA -0.214 4.106 4.320 0.001 0.000 0.217 188 A C 2.128 179.749 177.584 0.063 0.000 1.181 188 A CA 1.776 53.855 52.037 0.071 0.000 0.623 188 A CB -0.551 18.483 19.000 0.057 0.000 0.818 188 A HN 0.616 nan 8.150 nan 0.000 0.443 189 E N -0.115 120.120 120.200 0.060 0.000 2.031 189 E HA -0.087 4.264 4.350 0.001 0.000 0.193 189 E C 2.388 179.036 176.600 0.081 0.000 0.994 189 E CA 0.971 57.404 56.400 0.055 0.000 0.800 189 E CB -0.370 29.360 29.700 0.051 0.000 0.752 189 E HN 0.585 nan 8.360 nan 0.000 0.447 190 A N 1.487 124.367 122.820 0.101 0.000 1.892 190 A HA -0.240 4.080 4.320 0.001 0.000 0.218 190 A C 2.249 179.934 177.584 0.169 0.000 1.188 190 A CA 1.515 53.653 52.037 0.169 0.000 0.631 190 A CB -0.863 18.175 19.000 0.063 0.000 0.822 190 A HN 0.176 nan 8.150 nan 0.000 0.447 191 I N -0.857 119.755 120.570 0.070 0.000 2.163 191 I HA -0.256 3.915 4.170 0.001 0.000 0.243 191 I C 2.875 179.038 176.117 0.077 0.000 1.085 191 I CA 1.742 63.074 61.300 0.053 0.000 1.347 191 I CB -0.357 37.695 38.000 0.087 0.000 1.044 191 I HN 0.440 nan 8.210 nan 0.000 0.408 192 S N 0.367 116.102 115.700 0.060 0.000 2.368 192 S HA -0.205 4.266 4.470 0.001 0.000 0.224 192 S C 1.706 176.299 174.600 -0.011 0.000 1.029 192 S CA 1.628 59.845 58.200 0.029 0.000 0.988 192 S CB -0.279 62.932 63.200 0.018 0.000 0.838 192 S HN 0.352 nan 8.310 nan 0.000 0.462 193 D N -0.046 120.338 120.400 -0.028 0.000 2.149 193 D HA -0.074 4.567 4.640 0.001 0.000 0.198 193 D C 0.611 176.674 176.300 -0.395 0.000 0.990 193 D CA 1.215 55.094 54.000 -0.202 0.000 0.839 193 D CB -0.212 40.462 40.800 -0.210 0.000 0.948 193 D HN 0.587 nan 8.370 nan 0.000 0.460 194 Y N 0.370 120.650 120.300 -0.034 0.000 2.658 194 Y HA 0.189 4.739 4.550 0.001 0.000 0.276 194 Y C 1.957 177.837 175.900 -0.033 0.000 1.167 194 Y CA -0.351 57.723 58.100 -0.043 0.000 1.230 194 Y CB 0.041 38.456 38.460 -0.073 0.000 1.144 194 Y HN -0.099 nan 8.280 nan 0.000 0.529 195 Q N 0.877 120.713 119.800 0.060 0.000 2.112 195 Q HA -0.261 4.079 4.340 0.001 0.000 0.206 195 Q C 2.102 178.132 176.000 0.050 0.000 0.987 195 Q CA 1.810 57.646 55.803 0.055 0.000 0.858 195 Q CB 0.095 28.852 28.738 0.031 0.000 0.905 195 Q HN 0.485 nan 8.270 nan 0.000 0.420 196 E N 0.635 120.851 120.200 0.027 0.000 2.058 196 E HA -0.222 4.128 4.350 0.001 0.000 0.194 196 E C 1.869 178.498 176.600 0.048 0.000 0.997 196 E CA 1.836 58.252 56.400 0.028 0.000 0.801 196 E CB 0.007 29.710 29.700 0.005 0.000 0.746 196 E HN 0.531 nan 8.360 nan 0.000 0.450 197 K N -0.008 120.430 120.400 0.063 0.000 2.228 197 K HA -0.024 4.296 4.320 0.001 0.000 0.202 197 K C 2.388 179.021 176.600 0.053 0.000 1.051 197 K CA 0.646 56.969 56.287 0.060 0.000 0.960 197 K CB -0.242 32.297 32.500 0.065 0.000 0.743 197 K HN 0.103 nan 8.250 nan 0.000 0.458 198 L N 2.341 123.603 121.223 0.065 0.000 2.072 198 L HA -0.104 4.236 4.340 0.001 0.000 0.205 198 L C 2.624 179.547 176.870 0.088 0.000 1.079 198 L CA 1.378 56.262 54.840 0.073 0.000 0.752 198 L CB -0.573 41.539 42.059 0.088 0.000 0.906 198 L HN 0.359 nan 8.230 nan 0.000 0.436 199 S N 0.049 115.797 115.700 0.079 0.000 2.537 199 S HA -0.139 4.331 4.470 0.001 0.000 0.240 199 S C 1.704 176.350 174.600 0.077 0.000 0.981 199 S CA 0.635 58.879 58.200 0.072 0.000 0.948 199 S CB -0.336 62.898 63.200 0.056 0.000 0.759 199 S HN 0.461 nan 8.310 nan 0.000 0.531 200 R N 0.987 121.543 120.500 0.093 0.000 2.362 200 R HA 0.223 4.564 4.340 0.001 0.000 0.227 200 R C 0.799 177.222 176.300 0.204 0.000 0.905 200 R CA 0.688 56.867 56.100 0.132 0.000 1.067 200 R CB 0.431 30.819 30.300 0.148 0.000 1.078 200 R HN 0.642 nan 8.270 nan 0.000 0.516 201 T N -4.533 110.113 114.554 0.153 0.000 2.742 201 T HA 0.536 4.887 4.350 0.001 0.000 0.282 201 T C 1.023 175.793 174.700 0.117 0.000 1.025 201 T CA -0.364 61.843 62.100 0.178 0.000 1.020 201 T CB 1.649 70.519 68.868 0.003 0.000 1.317 201 T HN -0.100 nan 8.240 nan 0.000 0.538 202 A N 0.009 122.890 122.820 0.102 0.000 2.125 202 A HA 0.307 4.627 4.320 0.001 0.000 0.219 202 A C 2.447 180.067 177.584 0.060 0.000 1.156 202 A CA 1.705 53.782 52.037 0.066 0.000 0.671 202 A CB -1.533 17.497 19.000 0.050 0.000 0.794 202 A HN 1.333 nan 8.150 nan 0.000 0.459 203 A N 1.146 124.015 122.820 0.082 0.000 2.076 203 A HA -0.187 4.133 4.320 0.001 0.000 0.220 203 A C 2.005 179.689 177.584 0.167 0.000 1.160 203 A CA 1.747 53.876 52.037 0.154 0.000 0.653 203 A CB -0.525 18.592 19.000 0.195 0.000 0.801 203 A HN 0.774 nan 8.150 nan 0.000 0.455 204 K N -0.678 119.790 120.400 0.113 0.000 2.283 204 K HA -0.118 4.202 4.320 0.001 0.000 0.202 204 K C 0.454 177.077 176.600 0.039 0.000 1.048 204 K CA 1.374 57.720 56.287 0.098 0.000 0.948 204 K CB -0.243 32.303 32.500 0.076 0.000 0.742 204 K HN 0.222 nan 8.250 nan 0.000 0.458 205 D N 0.983 121.386 120.400 0.005 0.000 2.312 205 D HA -0.057 4.584 4.640 0.001 0.000 0.211 205 D C 1.770 178.005 176.300 -0.109 0.000 0.964 205 D CA 0.680 54.657 54.000 -0.038 0.000 0.877 205 D CB 0.319 41.099 40.800 -0.034 0.000 0.924 205 D HN 0.118 nan 8.370 nan 0.000 0.515 206 V N -0.519 119.283 119.914 -0.188 0.000 2.788 206 V HA -0.005 4.115 4.120 0.001 0.000 0.241 206 V C 1.499 177.265 176.094 -0.546 0.000 1.083 206 V CA 0.715 62.758 62.300 -0.429 0.000 1.103 206 V CB -0.113 31.314 31.823 -0.662 0.000 0.800 206 V HN 0.005 nan 8.190 nan 0.000 0.476 207 F N -0.419 119.524 119.950 -0.011 0.000 2.656 207 F HA 0.353 4.881 4.527 0.001 0.000 0.291 207 F C 1.094 176.892 175.800 -0.002 0.000 1.122 207 F CA 0.566 58.562 58.000 -0.007 0.000 1.427 207 F CB 0.177 39.181 39.000 0.007 0.000 1.125 207 F HN -0.033 nan 8.300 nan 0.000 0.583 208 L N 0.452 121.748 121.223 0.123 0.000 2.935 208 L HA 0.286 4.627 4.340 0.001 0.000 0.243 208 L C -1.835 175.052 176.870 0.028 0.000 1.313 208 L CA -1.558 53.330 54.840 0.080 0.000 0.969 208 L CB -0.010 42.101 42.059 0.086 0.000 1.320 208 L HN -0.136 nan 8.230 nan 0.000 0.511 209 P HA -0.300 nan 4.420 nan 0.000 0.235 209 P C 0.625 177.918 177.300 -0.012 0.000 0.775 209 P CA 1.903 64.988 63.100 -0.025 0.000 1.099 209 P CB 0.256 31.940 31.700 -0.027 0.000 0.733 210 N N -2.474 116.223 118.700 -0.005 0.000 2.202 210 N HA 0.104 4.845 4.740 0.001 0.000 0.191 210 N C 1.557 177.071 175.510 0.007 0.000 1.054 210 N CA 1.523 54.572 53.050 -0.002 0.000 0.877 210 N CB -0.684 37.801 38.487 -0.003 0.000 1.057 210 N HN 0.277 nan 8.380 nan 0.000 0.456 211 G N -1.282 107.524 108.800 0.011 0.000 3.581 211 G HA2 0.155 4.116 3.960 0.001 0.000 0.248 211 G HA3 0.155 4.116 3.960 0.001 0.000 0.248 211 G C -0.417 174.496 174.900 0.022 0.000 1.037 211 G CA -0.151 44.960 45.100 0.018 0.000 0.902 211 G HN 0.035 nan 8.290 nan 0.000 0.512 212 E N 1.707 121.919 120.200 0.020 0.000 2.191 212 E HA 0.484 4.835 4.350 0.001 0.000 0.274 212 E C -2.405 174.216 176.600 0.036 0.000 0.948 212 E CA -2.361 54.053 56.400 0.024 0.000 0.802 212 E CB 2.420 32.129 29.700 0.015 0.000 1.137 212 E HN -0.016 nan 8.360 nan 0.000 0.397 213 P HA 0.070 nan 4.420 nan 0.000 0.276 213 P C -0.380 176.952 177.300 0.054 0.000 1.230 213 P CA -0.090 63.050 63.100 0.066 0.000 0.776 213 P CB 0.559 32.295 31.700 0.060 0.000 0.888 214 L N 2.778 124.041 121.223 0.067 0.000 2.485 214 L HA 0.051 4.392 4.340 0.001 0.000 0.275 214 L C 1.252 178.145 176.870 0.039 0.000 1.207 214 L CA 0.448 55.311 54.840 0.037 0.000 0.855 214 L CB -0.247 41.830 42.059 0.032 0.000 1.114 214 L HN 0.302 nan 8.230 nan 0.000 0.485 215 K N 1.462 121.875 120.400 0.022 0.000 2.210 215 K HA 0.282 4.603 4.320 0.001 0.000 0.236 215 K C -0.437 176.177 176.600 0.023 0.000 1.016 215 K CA -0.761 55.540 56.287 0.024 0.000 0.913 215 K CB 0.681 33.191 32.500 0.017 0.000 1.141 215 K HN 0.440 nan 8.250 nan 0.000 0.462 216 E N -0.120 120.097 120.200 0.030 0.000 2.467 216 E HA 0.068 4.418 4.350 0.001 0.000 0.264 216 E C 0.614 177.229 176.600 0.024 0.000 1.020 216 E CA 1.316 57.737 56.400 0.035 0.000 0.945 216 E CB 0.102 29.824 29.700 0.037 0.000 0.942 216 E HN 0.633 nan 8.360 nan 0.000 0.449 217 G N 3.813 112.629 108.800 0.027 0.000 2.417 217 G HA2 -0.272 3.689 3.960 0.001 0.000 0.233 217 G HA3 -0.272 3.689 3.960 0.001 0.000 0.233 217 G C -0.092 174.804 174.900 -0.006 0.000 1.103 217 G CA 0.231 45.341 45.100 0.017 0.000 0.647 217 G HN 0.668 nan 8.290 nan 0.000 0.512 218 D N 1.610 121.998 120.400 -0.019 0.000 2.400 218 D HA 0.464 5.104 4.640 0.001 0.000 0.238 218 D C 0.663 176.902 176.300 -0.101 0.000 1.157 218 D CA 0.759 54.731 54.000 -0.047 0.000 0.889 218 D CB 0.560 41.335 40.800 -0.041 0.000 1.199 218 D HN 0.165 nan 8.370 nan 0.000 0.436 219 T N 1.523 116.007 114.554 -0.117 0.000 2.780 219 T HA 0.302 4.652 4.350 0.001 0.000 0.294 219 T C -0.052 174.496 174.700 -0.254 0.000 0.949 219 T CA -0.535 61.454 62.100 -0.185 0.000 1.074 219 T CB 0.440 69.241 68.868 -0.113 0.000 0.910 219 T HN 0.112 nan 8.240 nan 0.000 0.501 220 L N 5.896 126.845 121.223 -0.457 0.000 2.264 220 L HA 0.626 4.967 4.340 0.001 0.000 0.289 220 L C -0.981 175.692 176.870 -0.328 0.000 1.044 220 L CA -0.230 54.356 54.840 -0.423 0.000 0.807 220 L CB 0.220 41.940 42.059 -0.566 0.000 1.192 220 L HN 0.584 nan 8.230 nan 0.000 0.425 221 I N 4.714 125.152 120.570 -0.220 0.000 2.474 221 I HA 0.379 4.549 4.170 0.001 0.000 0.294 221 I C -0.326 175.695 176.117 -0.160 0.000 1.005 221 I CA -0.271 60.942 61.300 -0.145 0.000 1.113 221 I CB 1.720 39.653 38.000 -0.112 0.000 1.289 221 I HN 0.584 nan 8.210 nan 0.000 0.436 222 Q N 5.891 125.619 119.800 -0.120 0.000 2.965 222 Q HA 0.264 4.604 4.340 0.001 0.000 0.288 222 Q C 0.446 176.367 176.000 -0.132 0.000 0.974 222 Q CA -0.577 55.137 55.803 -0.148 0.000 0.849 222 Q CB 1.217 29.876 28.738 -0.132 0.000 1.280 222 Q HN 0.419 nan 8.270 nan 0.000 0.441 223 K N 0.706 121.039 120.400 -0.111 0.000 2.057 223 K HA -0.146 4.174 4.320 0.001 0.000 0.207 223 K C 0.782 177.330 176.600 -0.087 0.000 1.049 223 K CA 1.414 57.649 56.287 -0.087 0.000 0.931 223 K CB 0.264 32.723 32.500 -0.068 0.000 0.714 223 K HN 0.458 nan 8.250 nan 0.000 0.440 224 D N 0.771 121.119 120.400 -0.086 0.000 2.144 224 D HA -0.129 4.512 4.640 0.001 0.000 0.200 224 D C 1.904 178.146 176.300 -0.097 0.000 0.978 224 D CA 0.500 54.462 54.000 -0.063 0.000 0.833 224 D CB -0.213 40.563 40.800 -0.039 0.000 0.961 224 D HN 0.014 nan 8.370 nan 0.000 0.470 225 L N 0.834 121.959 121.223 -0.164 0.000 2.093 225 L HA -0.027 4.314 4.340 0.001 0.000 0.208 225 L C 2.058 178.652 176.870 -0.460 0.000 1.085 225 L CA 1.471 56.121 54.840 -0.317 0.000 0.755 225 L CB -0.632 41.202 42.059 -0.375 0.000 0.904 225 L HN -0.034 nan 8.230 nan 0.000 0.435 226 A N -0.504 122.138 122.820 -0.296 0.000 1.933 226 A HA -0.262 4.058 4.320 0.001 0.000 0.218 226 A C 2.444 179.978 177.584 -0.083 0.000 1.175 226 A CA 1.914 53.835 52.037 -0.194 0.000 0.628 226 A CB -0.607 18.335 19.000 -0.097 0.000 0.814 226 A HN 0.527 nan 8.150 nan 0.000 0.444 227 K N -0.766 119.593 120.400 -0.069 0.000 2.026 227 K HA -0.139 4.182 4.320 0.001 0.000 0.208 227 K C 1.975 178.580 176.600 0.007 0.000 1.048 227 K CA 1.898 58.174 56.287 -0.018 0.000 0.929 227 K CB -0.401 32.092 32.500 -0.011 0.000 0.713 227 K HN 0.407 nan 8.250 nan 0.000 0.439 228 T N 1.092 115.640 114.554 -0.010 0.000 2.684 228 T HA -0.126 4.224 4.350 0.001 0.000 0.267 228 T C 1.544 176.334 174.700 0.150 0.000 1.036 228 T CA 1.347 63.463 62.100 0.027 0.000 1.148 228 T CB -0.305 68.560 68.868 -0.004 0.000 0.863 228 T HN 0.120 nan 8.240 nan 0.000 0.436 229 F N 1.789 121.692 119.950 -0.080 0.000 2.126 229 F HA 0.000 4.528 4.527 0.001 0.000 0.299 229 F C 2.272 177.990 175.800 -0.138 0.000 1.096 229 F CA 0.635 58.551 58.000 -0.141 0.000 1.255 229 F CB -0.750 38.151 39.000 -0.165 0.000 0.997 229 F HN 0.166 nan 8.300 nan 0.000 0.479 230 K N -0.048 120.421 120.400 0.115 0.000 2.097 230 K HA -0.149 4.172 4.320 0.001 0.000 0.206 230 K C 2.168 178.779 176.600 0.018 0.000 1.049 230 K CA 0.970 57.279 56.287 0.035 0.000 0.933 230 K CB -0.383 32.132 32.500 0.024 0.000 0.717 230 K HN 0.266 nan 8.250 nan 0.000 0.442 231 L N 0.645 121.886 121.223 0.030 0.000 2.056 231 L HA -0.169 4.172 4.340 0.001 0.000 0.207 231 L C 2.288 179.165 176.870 0.012 0.000 1.078 231 L CA 1.094 55.947 54.840 0.021 0.000 0.749 231 L CB -0.291 41.782 42.059 0.024 0.000 0.901 231 L HN 0.178 nan 8.230 nan 0.000 0.433 232 I N -0.664 119.910 120.570 0.005 0.000 2.226 232 I HA -0.297 3.873 4.170 0.001 0.000 0.245 232 I C 2.837 178.924 176.117 -0.051 0.000 1.100 232 I CA 1.015 62.304 61.300 -0.019 0.000 1.374 232 I CB -0.361 37.605 38.000 -0.055 0.000 1.057 232 I HN 0.255 nan 8.210 nan 0.000 0.413 233 R N 1.008 121.459 120.500 -0.081 0.000 2.091 233 R HA -0.197 4.143 4.340 0.001 0.000 0.238 233 R C 2.389 178.667 176.300 -0.038 0.000 1.136 233 R CA 2.286 58.334 56.100 -0.086 0.000 0.959 233 R CB -0.154 30.093 30.300 -0.088 0.000 0.856 233 R HN 0.478 nan 8.270 nan 0.000 0.437 234 S N -0.349 115.341 115.700 -0.017 0.000 2.421 234 S HA 0.052 4.523 4.470 0.001 0.000 0.224 234 S C 1.696 176.301 174.600 0.008 0.000 1.035 234 S CA 0.278 58.476 58.200 -0.003 0.000 0.953 234 S CB 0.141 63.343 63.200 0.002 0.000 0.810 234 S HN 0.305 nan 8.310 nan 0.000 0.497 235 K N 1.191 121.600 120.400 0.016 0.000 2.284 235 K HA 0.382 4.702 4.320 0.001 0.000 0.198 235 K C 1.133 177.758 176.600 0.042 0.000 1.048 235 K CA 0.468 56.774 56.287 0.031 0.000 0.987 235 K CB -0.031 32.494 32.500 0.042 0.000 0.800 235 K HN 0.539 nan 8.250 nan 0.000 0.486 236 G N 0.775 109.597 108.800 0.037 0.000 2.660 236 G HA2 -0.290 3.671 3.960 0.001 0.000 0.247 236 G HA3 -0.290 3.671 3.960 0.001 0.000 0.247 236 G C 0.640 175.596 174.900 0.093 0.000 1.328 236 G CA -0.089 45.042 45.100 0.052 0.000 0.884 236 G HN 0.114 nan 8.290 nan 0.000 0.531 237 T N -2.653 111.978 114.554 0.129 0.000 3.025 237 T HA -0.017 4.334 4.350 0.001 0.000 0.270 237 T C 1.549 176.441 174.700 0.320 0.000 1.126 237 T CA 2.171 64.410 62.100 0.233 0.000 1.105 237 T CB -0.162 68.864 68.868 0.264 0.000 0.884 237 T HN 0.485 nan 8.240 nan 0.000 0.522 238 D N 1.816 122.346 120.400 0.217 0.000 2.218 238 D HA 0.097 4.737 4.640 0.001 0.000 0.204 238 D C 2.295 178.710 176.300 0.191 0.000 0.976 238 D CA 1.107 55.235 54.000 0.214 0.000 0.853 238 D CB -0.541 40.341 40.800 0.137 0.000 0.939 238 D HN 0.589 nan 8.370 nan 0.000 0.481 239 A N -0.760 122.148 122.820 0.146 0.000 2.024 239 A HA -0.166 4.154 4.320 0.001 0.000 0.220 239 A C 1.924 179.558 177.584 0.083 0.000 1.164 239 A CA 1.008 53.103 52.037 0.098 0.000 0.643 239 A CB -0.621 18.411 19.000 0.053 0.000 0.806 239 A HN 0.362 nan 8.150 nan 0.000 0.451 240 F N -2.304 117.598 119.950 -0.080 0.000 2.419 240 F HA 0.165 4.692 4.527 0.001 0.000 0.283 240 F C 1.632 177.367 175.800 -0.107 0.000 1.044 240 F CA 0.616 58.462 58.000 -0.256 0.000 1.376 240 F CB 0.223 38.923 39.000 -0.501 0.000 1.131 240 F HN 0.192 nan 8.300 nan 0.000 0.585 241 Y N 0.822 121.361 120.300 0.398 0.000 2.490 241 Y HA 0.237 4.787 4.550 0.001 0.000 0.281 241 Y C 0.165 176.168 175.900 0.171 0.000 1.174 241 Y CA 0.219 58.494 58.100 0.292 0.000 1.295 241 Y CB -0.190 38.444 38.460 0.290 0.000 1.062 241 Y HN -0.134 nan 8.280 nan 0.000 0.522 242 K N -1.775 118.762 120.400 0.228 0.000 2.466 242 K HA 0.599 4.919 4.320 0.001 0.000 0.277 242 K C 0.171 176.839 176.600 0.114 0.000 1.039 242 K CA -0.500 55.879 56.287 0.153 0.000 0.904 242 K CB 1.952 34.541 32.500 0.149 0.000 1.506 242 K HN 0.044 nan 8.250 nan 0.000 0.441 243 G N 1.052 109.901 108.800 0.081 0.000 2.598 243 G HA2 -0.329 3.631 3.960 0.001 0.000 0.244 243 G HA3 -0.329 3.631 3.960 0.001 0.000 0.244 243 G C 0.460 175.387 174.900 0.045 0.000 1.302 243 G CA 0.539 45.678 45.100 0.065 0.000 0.903 243 G HN 0.629 nan 8.290 nan 0.000 0.575 244 K N -0.775 119.655 120.400 0.050 0.000 2.097 244 K HA 0.017 4.338 4.320 0.001 0.000 0.205 244 K C 2.431 179.032 176.600 0.003 0.000 1.050 244 K CA 2.115 58.417 56.287 0.024 0.000 0.938 244 K CB -0.224 32.297 32.500 0.036 0.000 0.718 244 K HN 0.442 nan 8.250 nan 0.000 0.442 245 F N 1.216 121.112 119.950 -0.089 0.000 2.134 245 F HA -0.127 4.401 4.527 0.001 0.000 0.299 245 F C 1.942 177.605 175.800 -0.229 0.000 1.097 245 F CA 1.396 59.300 58.000 -0.159 0.000 1.264 245 F CB -0.392 38.490 39.000 -0.196 0.000 1.001 245 F HN 0.060 nan 8.300 nan 0.000 0.479 246 A N 0.453 123.205 122.820 -0.113 0.000 1.883 246 A HA -0.253 4.068 4.320 0.001 0.000 0.217 246 A C 2.364 179.802 177.584 -0.243 0.000 1.186 246 A CA 1.960 53.877 52.037 -0.200 0.000 0.624 246 A CB -0.910 18.077 19.000 -0.022 0.000 0.822 246 A HN 0.461 nan 8.150 nan 0.000 0.444 247 K N -0.949 119.357 120.400 -0.158 0.000 2.097 247 K HA -0.125 4.196 4.320 0.001 0.000 0.205 247 K C 1.989 178.481 176.600 -0.181 0.000 1.050 247 K CA 1.786 57.994 56.287 -0.130 0.000 0.938 247 K CB -0.281 32.175 32.500 -0.073 0.000 0.718 247 K HN 0.505 nan 8.250 nan 0.000 0.442 248 T N 2.320 116.723 114.554 -0.253 0.000 2.777 248 T HA -0.141 4.210 4.350 0.001 0.000 0.266 248 T C 1.778 176.284 174.700 -0.322 0.000 1.040 248 T CA 1.180 63.126 62.100 -0.257 0.000 1.141 248 T CB -0.176 68.526 68.868 -0.276 0.000 0.868 248 T HN 0.250 nan 8.240 nan 0.000 0.444 249 L N 0.843 121.736 121.223 -0.550 0.000 1.994 249 L HA -0.125 4.215 4.340 0.001 0.000 0.208 249 L C 2.722 179.435 176.870 -0.261 0.000 1.071 249 L CA 1.851 56.391 54.840 -0.500 0.000 0.745 249 L CB -0.594 40.987 42.059 -0.797 0.000 0.892 249 L HN 0.301 nan 8.230 nan 0.000 0.431 250 S N -0.213 115.350 115.700 -0.228 0.000 2.359 250 S HA -0.260 4.210 4.470 0.001 0.000 0.224 250 S C 1.631 176.184 174.600 -0.078 0.000 1.035 250 S CA 1.966 60.096 58.200 -0.117 0.000 1.018 250 S CB -0.487 62.659 63.200 -0.091 0.000 0.876 250 S HN 0.577 nan 8.310 nan 0.000 0.448 251 D N 0.432 120.778 120.400 -0.090 0.000 2.144 251 D HA -0.034 4.606 4.640 0.001 0.000 0.199 251 D C 2.127 178.415 176.300 -0.020 0.000 0.984 251 D CA 1.591 55.559 54.000 -0.053 0.000 0.834 251 D CB -0.857 39.906 40.800 -0.061 0.000 0.955 251 D HN 0.454 nan 8.370 nan 0.000 0.465 252 T N 0.111 114.650 114.554 -0.024 0.000 2.777 252 T HA -0.068 4.283 4.350 0.001 0.000 0.266 252 T C 2.230 177.025 174.700 0.158 0.000 1.040 252 T CA 0.526 62.672 62.100 0.076 0.000 1.141 252 T CB -0.299 68.585 68.868 0.027 0.000 0.868 252 T HN -0.043 nan 8.240 nan 0.000 0.444 253 V N 1.658 121.603 119.914 0.051 0.000 2.332 253 V HA -0.251 3.870 4.120 0.001 0.000 0.248 253 V C 2.616 178.769 176.094 0.099 0.000 1.055 253 V CA 1.756 64.097 62.300 0.068 0.000 1.038 253 V CB -0.635 31.192 31.823 0.008 0.000 0.651 253 V HN 0.532 nan 8.190 nan 0.000 0.450 254 Q N -0.735 119.095 119.800 0.051 0.000 2.084 254 Q HA -0.232 4.109 4.340 0.001 0.000 0.202 254 Q C 2.027 178.042 176.000 0.025 0.000 0.978 254 Q CA 1.755 57.575 55.803 0.029 0.000 0.844 254 Q CB -0.228 28.511 28.738 0.002 0.000 0.898 254 Q HN 0.605 nan 8.270 nan 0.000 0.426 255 D N -0.214 120.202 120.400 0.027 0.000 2.218 255 D HA -0.129 4.511 4.640 0.001 0.000 0.204 255 D C 0.642 176.831 176.300 -0.185 0.000 0.976 255 D CA 1.039 54.995 54.000 -0.074 0.000 0.853 255 D CB -0.009 40.743 40.800 -0.080 0.000 0.939 255 D HN 0.182 nan 8.370 nan 0.000 0.481 256 F N -1.040 118.898 119.950 -0.021 0.000 2.660 256 F HA 0.327 4.854 4.527 0.001 0.000 0.302 256 F C 1.837 177.632 175.800 -0.007 0.000 1.103 256 F CA 0.224 58.216 58.000 -0.012 0.000 1.340 256 F CB 0.760 39.754 39.000 -0.011 0.000 1.048 256 F HN 0.027 nan 8.300 nan 0.000 0.551 257 G N -0.272 108.582 108.800 0.089 0.000 2.195 257 G HA2 -0.176 3.784 3.960 0.001 0.000 0.224 257 G HA3 -0.176 3.784 3.960 0.001 0.000 0.224 257 G C 0.715 175.644 174.900 0.047 0.000 0.990 257 G CA -0.328 44.805 45.100 0.054 0.000 0.639 257 G HN 0.699 nan 8.290 nan 0.000 0.514 258 G N -0.073 108.765 108.800 0.064 0.000 2.528 258 G HA2 0.580 4.540 3.960 0.001 0.000 0.289 258 G HA3 0.580 4.540 3.960 0.001 0.000 0.289 258 G C 1.034 175.943 174.900 0.016 0.000 1.192 258 G CA 0.927 46.047 45.100 0.035 0.000 0.921 258 G HN 1.271 nan 8.290 nan 0.000 0.512 259 S N -0.222 115.480 115.700 0.003 0.000 2.597 259 S HA 0.173 4.644 4.470 0.001 0.000 0.224 259 S C 0.992 175.597 174.600 0.009 0.000 0.955 259 S CA -0.325 57.876 58.200 0.002 0.000 0.933 259 S CB -0.254 62.941 63.200 -0.007 0.000 0.788 259 S HN 0.511 nan 8.310 nan 0.000 0.488 260 M N 3.901 123.509 119.600 0.013 0.000 2.260 260 M HA 0.110 4.591 4.480 0.001 0.000 0.348 260 M C 0.228 176.533 176.300 0.008 0.000 1.342 260 M CA 0.556 55.866 55.300 0.017 0.000 1.040 260 M CB 0.463 33.071 32.600 0.013 0.000 1.810 260 M HN 0.531 nan 8.290 nan 0.000 0.453 261 T N 0.419 114.985 114.554 0.019 0.000 2.927 261 T HA 0.377 4.727 4.350 0.001 0.000 0.286 261 T C 0.634 175.347 174.700 0.021 0.000 1.040 261 T CA -0.893 61.215 62.100 0.014 0.000 1.010 261 T CB 1.318 70.200 68.868 0.023 0.000 1.177 261 T HN 0.731 nan 8.240 nan 0.000 0.546 262 E N -0.056 120.154 120.200 0.016 0.000 2.150 262 E HA -0.120 4.231 4.350 0.001 0.000 0.193 262 E C 1.933 178.573 176.600 0.066 0.000 0.985 262 E CA 0.760 57.177 56.400 0.028 0.000 0.814 262 E CB -0.026 29.685 29.700 0.018 0.000 0.752 262 E HN 0.638 nan 8.360 nan 0.000 0.466 263 K N 0.911 121.347 120.400 0.061 0.000 2.148 263 K HA -0.169 4.151 4.320 0.001 0.000 0.204 263 K C 1.509 178.171 176.600 0.103 0.000 1.050 263 K CA 1.281 57.613 56.287 0.076 0.000 0.942 263 K CB 0.161 32.696 32.500 0.058 0.000 0.724 263 K HN -0.002 nan 8.250 nan 0.000 0.446 264 D N 0.937 121.399 120.400 0.102 0.000 2.117 264 D HA -0.167 4.473 4.640 0.001 0.000 0.197 264 D C 1.924 178.347 176.300 0.206 0.000 0.987 264 D CA 1.100 55.181 54.000 0.136 0.000 0.829 264 D CB -0.021 40.847 40.800 0.113 0.000 0.961 264 D HN 0.275 nan 8.370 nan 0.000 0.460 265 L N 0.527 121.874 121.223 0.207 0.000 2.109 265 L HA -0.079 4.262 4.340 0.001 0.000 0.207 265 L C 2.466 179.563 176.870 0.377 0.000 1.086 265 L CA 0.848 55.891 54.840 0.338 0.000 0.760 265 L CB -0.440 41.764 42.059 0.242 0.000 0.910 265 L HN -0.010 nan 8.230 nan 0.000 0.437 266 E N 0.634 120.978 120.200 0.239 0.000 2.150 266 E HA -0.199 4.152 4.350 0.001 0.000 0.193 266 E C 1.815 178.506 176.600 0.151 0.000 0.985 266 E CA 0.952 57.468 56.400 0.192 0.000 0.814 266 E CB 0.187 29.965 29.700 0.129 0.000 0.752 266 E HN 0.423 nan 8.360 nan 0.000 0.466 267 N N -0.255 118.535 118.700 0.151 0.000 2.331 267 N HA -0.129 4.612 4.740 0.001 0.000 0.180 267 N C -0.087 175.481 175.510 0.097 0.000 1.019 267 N CA 0.385 53.499 53.050 0.106 0.000 0.881 267 N CB -0.253 38.297 38.487 0.105 0.000 0.972 267 N HN 0.203 nan 8.380 nan 0.000 0.435 268 Y N 1.973 122.305 120.300 0.053 0.000 2.610 268 Y HA -0.008 4.542 4.550 0.001 0.000 0.332 268 Y C -0.064 175.768 175.900 -0.113 0.000 1.201 268 Y CA 0.604 58.705 58.100 0.001 0.000 1.465 268 Y CB 0.376 38.875 38.460 0.066 0.000 1.283 268 Y HN -0.055 nan 8.280 nan 0.000 0.563 269 D N 5.256 125.161 120.400 -0.825 0.000 2.859 269 D HA 0.206 4.847 4.640 0.001 0.000 0.223 269 D C -0.526 175.300 176.300 -0.790 0.000 1.218 269 D CA -0.409 53.261 54.000 -0.550 0.000 0.850 269 D CB 1.794 42.413 40.800 -0.302 0.000 1.656 269 D HN 0.490 nan 8.370 nan 0.000 0.484 270 I N -0.875 119.479 120.570 -0.360 0.000 3.433 270 I HA 0.396 4.567 4.170 0.001 0.000 0.265 270 I C 0.609 176.622 176.117 -0.174 0.000 1.186 270 I CA 0.046 61.223 61.300 -0.206 0.000 1.008 270 I CB 0.037 38.022 38.000 -0.026 0.000 1.552 270 I HN 0.088 nan 8.210 nan 0.000 0.790 271 T N 1.838 116.345 114.554 -0.078 0.000 2.893 271 T HA 0.618 4.968 4.350 0.001 0.000 0.291 271 T C -0.784 173.925 174.700 0.014 0.000 1.028 271 T CA -0.387 61.692 62.100 -0.034 0.000 0.995 271 T CB 0.937 69.802 68.868 -0.005 0.000 1.051 271 T HN 0.375 nan 8.240 nan 0.000 0.470 272 I N 4.334 124.917 120.570 0.021 0.000 2.330 272 I HA 0.383 4.553 4.170 0.001 0.000 0.286 272 I C -0.222 175.937 176.117 0.070 0.000 1.025 272 I CA -0.917 60.413 61.300 0.050 0.000 1.197 272 I CB 0.972 38.991 38.000 0.032 0.000 1.358 272 I HN 0.542 nan 8.210 nan 0.000 0.467 273 D N 4.442 124.901 120.400 0.098 0.000 2.193 273 D HA 0.307 4.947 4.640 0.001 0.000 0.249 273 D C 0.130 176.489 176.300 0.098 0.000 1.034 273 D CA -0.348 53.712 54.000 0.098 0.000 0.902 273 D CB 1.616 42.488 40.800 0.120 0.000 1.182 273 D HN 0.358 nan 8.370 nan 0.000 0.436 274 E N 1.152 121.407 120.200 0.091 0.000 2.283 274 E HA 0.353 4.704 4.350 0.001 0.000 0.278 274 E C -2.526 174.114 176.600 0.068 0.000 1.027 274 E CA -1.871 54.596 56.400 0.111 0.000 0.843 274 E CB 0.843 30.618 29.700 0.126 0.000 1.062 274 E HN 0.022 nan 8.360 nan 0.000 0.401 275 P HA 0.131 nan 4.420 nan 0.000 0.272 275 P C -0.672 176.552 177.300 -0.127 0.000 1.230 275 P CA 0.111 63.117 63.100 -0.156 0.000 0.788 275 P CB 0.485 31.924 31.700 -0.434 0.000 0.949 276 I N 1.387 121.851 120.570 -0.178 0.000 2.365 276 I HA 0.284 4.454 4.170 0.001 0.000 0.291 276 I C -0.204 175.834 176.117 -0.131 0.000 1.004 276 I CA -0.307 60.953 61.300 -0.067 0.000 1.311 276 I CB 0.611 38.558 38.000 -0.088 0.000 1.401 276 I HN 0.269 nan 8.210 nan 0.000 0.491 277 W N 3.846 125.132 121.300 -0.024 0.000 2.570 277 W HA 0.698 5.359 4.660 0.001 0.000 0.337 277 W C 0.312 176.820 176.519 -0.019 0.000 1.067 277 W CA -0.405 56.932 57.345 -0.014 0.000 1.229 277 W CB 2.023 31.483 29.460 0.001 0.000 1.355 277 W HN 0.464 nan 8.180 nan 0.000 0.555 278 G N 1.596 110.555 108.800 0.265 0.000 2.719 278 G HA2 0.369 4.330 3.960 0.001 0.000 0.298 278 G HA3 0.369 4.330 3.960 0.001 0.000 0.298 278 G C -1.649 173.373 174.900 0.202 0.000 1.411 278 G CA -0.754 44.444 45.100 0.164 0.000 0.991 278 G HN 0.251 nan 8.290 nan 0.000 0.509 279 D N -0.006 120.490 120.400 0.159 0.000 2.302 279 D HA 0.462 5.102 4.640 0.001 0.000 0.248 279 D C -1.160 175.282 176.300 0.235 0.000 1.094 279 D CA 0.644 54.742 54.000 0.164 0.000 0.897 279 D CB 1.927 42.778 40.800 0.084 0.000 1.200 279 D HN 0.316 nan 8.370 nan 0.000 0.429 280 Y N 1.880 122.238 120.300 0.097 0.000 2.313 280 Y HA 0.030 4.580 4.550 0.001 0.000 0.320 280 Y C -0.489 175.510 175.900 0.165 0.000 1.171 280 Y CA -0.687 57.474 58.100 0.100 0.000 1.093 280 Y CB 0.714 39.227 38.460 0.087 0.000 1.224 280 Y HN 0.236 nan 8.280 nan 0.000 0.421 281 Q N 4.295 123.851 119.800 -0.408 0.000 2.437 281 Q HA -0.251 4.089 4.340 0.001 0.000 0.274 281 Q C 1.154 177.066 176.000 -0.146 0.000 1.165 281 Q CA 1.949 57.551 55.803 -0.334 0.000 0.925 281 Q CB -1.695 26.711 28.738 -0.553 0.000 1.327 281 Q HN 1.768 nan 8.270 nan 0.000 0.505 282 G N -2.275 106.446 108.800 -0.131 0.000 2.195 282 G HA2 -0.334 3.626 3.960 0.001 0.000 0.246 282 G HA3 -0.334 3.626 3.960 0.001 0.000 0.246 282 G C -0.149 174.564 174.900 -0.311 0.000 0.984 282 G CA 0.302 45.260 45.100 -0.237 0.000 0.633 282 G HN 0.332 nan 8.290 nan 0.000 0.525 283 Y N 0.594 120.892 120.300 -0.003 0.000 2.488 283 Y HA 0.691 5.241 4.550 0.001 0.000 0.325 283 Y C 0.853 176.824 175.900 0.117 0.000 1.204 283 Y CA -0.625 57.511 58.100 0.060 0.000 1.229 283 Y CB 1.049 39.569 38.460 0.100 0.000 1.274 283 Y HN 0.150 nan 8.280 nan 0.000 0.493 284 Q N 1.693 121.685 119.800 0.320 0.000 2.333 284 Q HA 0.563 4.903 4.340 0.001 0.000 0.267 284 Q C -1.357 174.864 176.000 0.369 0.000 1.012 284 Q CA -0.596 55.417 55.803 0.350 0.000 0.824 284 Q CB 2.540 31.489 28.738 0.352 0.000 1.290 284 Q HN 0.531 nan 8.270 nan 0.000 0.449 285 I N 1.627 122.370 120.570 0.289 0.000 2.354 285 I HA 0.499 4.669 4.170 0.001 0.000 0.292 285 I C -0.453 175.547 176.117 -0.194 0.000 0.989 285 I CA -0.712 60.615 61.300 0.044 0.000 1.188 285 I CB 1.665 39.662 38.000 -0.005 0.000 1.342 285 I HN 0.580 nan 8.210 nan 0.000 0.457 286 A N 4.887 127.362 122.820 -0.576 0.000 2.267 286 A HA 0.719 5.040 4.320 0.001 0.000 0.315 286 A C -0.277 176.977 177.584 -0.550 0.000 1.297 286 A CA -0.328 51.053 52.037 -1.092 0.000 0.865 286 A CB 1.181 19.331 19.000 -1.417 0.000 1.165 286 A HN 0.667 nan 8.150 nan 0.000 0.513 287 T N 0.502 114.794 114.554 -0.437 0.000 2.716 287 T HA 0.592 4.943 4.350 0.001 0.000 0.286 287 T C -0.162 174.392 174.700 -0.244 0.000 1.052 287 T CA -0.212 61.719 62.100 -0.282 0.000 1.024 287 T CB 1.251 69.985 68.868 -0.224 0.000 1.349 287 T HN 0.492 nan 8.240 nan 0.000 0.525 288 T N 4.687 119.110 114.554 -0.217 0.000 2.779 288 T HA 0.445 4.796 4.350 0.001 0.000 0.296 288 T C -2.253 172.319 174.700 -0.213 0.000 0.938 288 T CA -0.672 61.290 62.100 -0.231 0.000 1.119 288 T CB 1.037 69.698 68.868 -0.345 0.000 0.891 288 T HN 0.432 nan 8.240 nan 0.000 0.526 289 P HA 0.421 nan 4.420 nan 0.000 0.281 289 P C -2.885 174.360 177.300 -0.092 0.000 1.281 289 P CA -2.355 60.680 63.100 -0.107 0.000 0.811 289 P CB 0.025 31.698 31.700 -0.044 0.000 1.154 290 P HA 0.030 nan 4.420 nan 0.000 0.267 290 P C -1.473 175.870 177.300 0.071 0.000 1.201 290 P CA -0.684 62.422 63.100 0.010 0.000 0.775 290 P CB -0.859 30.868 31.700 0.045 0.000 0.854 291 P HA -0.100 nan 4.420 nan 0.000 0.234 291 P C 0.237 177.588 177.300 0.085 0.000 1.162 291 P CA 1.068 64.263 63.100 0.158 0.000 0.759 291 P CB 0.256 32.108 31.700 0.252 0.000 0.813 292 S N -0.046 115.590 115.700 -0.105 0.000 2.617 292 S HA 0.331 4.802 4.470 0.001 0.000 0.283 292 S C 1.338 175.881 174.600 -0.096 0.000 1.189 292 S CA -0.257 57.802 58.200 -0.234 0.000 1.036 292 S CB 0.881 63.700 63.200 -0.634 0.000 1.014 292 S HN 0.123 nan 8.310 nan 0.000 0.522 293 S N 2.842 118.534 115.700 -0.013 0.000 2.517 293 S HA 0.169 4.640 4.470 0.001 0.000 0.214 293 S C 1.839 176.492 174.600 0.089 0.000 0.991 293 S CA 0.377 58.650 58.200 0.121 0.000 0.906 293 S CB -0.407 62.925 63.200 0.219 0.000 0.789 293 S HN 0.826 nan 8.310 nan 0.000 0.513 294 G N 2.113 110.890 108.800 -0.038 0.000 2.459 294 G HA2 -0.005 3.956 3.960 0.001 0.000 0.217 294 G HA3 -0.005 3.956 3.960 0.001 0.000 0.217 294 G C 1.381 176.220 174.900 -0.102 0.000 1.183 294 G CA 0.743 45.807 45.100 -0.060 0.000 0.776 294 G HN 0.623 nan 8.290 nan 0.000 0.552 295 G N 0.720 109.421 108.800 -0.165 0.000 2.402 295 G HA2 -0.100 3.860 3.960 0.001 0.000 0.216 295 G HA3 -0.100 3.860 3.960 0.001 0.000 0.216 295 G C 1.804 176.574 174.900 -0.216 0.000 1.162 295 G CA 0.711 45.700 45.100 -0.184 0.000 0.777 295 G HN 0.431 nan 8.290 nan 0.000 0.539 296 I N -0.191 120.201 120.570 -0.298 0.000 2.179 296 I HA -0.136 4.034 4.170 0.001 0.000 0.242 296 I C 2.276 178.044 176.117 -0.581 0.000 1.088 296 I CA 1.045 62.053 61.300 -0.487 0.000 1.357 296 I CB -0.197 37.355 38.000 -0.747 0.000 1.051 296 I HN 0.077 nan 8.210 nan 0.000 0.409 297 F N -0.179 119.703 119.950 -0.112 0.000 2.558 297 F HA -0.068 4.460 4.527 0.001 0.000 0.298 297 F C 2.027 177.735 175.800 -0.153 0.000 1.119 297 F CA 0.466 58.380 58.000 -0.142 0.000 1.451 297 F CB -0.547 38.324 39.000 -0.215 0.000 1.091 297 F HN 0.022 nan 8.300 nan 0.000 0.563 298 L N 0.074 121.263 121.223 -0.057 0.000 2.056 298 L HA -0.115 4.225 4.340 0.001 0.000 0.207 298 L C 1.916 178.717 176.870 -0.117 0.000 1.078 298 L CA 1.833 56.619 54.840 -0.090 0.000 0.749 298 L CB -0.772 41.214 42.059 -0.121 0.000 0.901 298 L HN 0.109 nan 8.230 nan 0.000 0.433 299 L N -0.755 120.388 121.223 -0.134 0.000 2.056 299 L HA -0.197 4.143 4.340 0.001 0.000 0.207 299 L C 2.735 179.562 176.870 -0.072 0.000 1.078 299 L CA 1.648 56.417 54.840 -0.119 0.000 0.749 299 L CB -0.736 41.256 42.059 -0.112 0.000 0.901 299 L HN 0.463 nan 8.230 nan 0.000 0.433 300 Q N 0.074 119.835 119.800 -0.065 0.000 2.084 300 Q HA -0.226 4.115 4.340 0.001 0.000 0.202 300 Q C 2.346 178.375 176.000 0.048 0.000 0.978 300 Q CA 1.625 57.437 55.803 0.015 0.000 0.844 300 Q CB 0.013 28.809 28.738 0.096 0.000 0.898 300 Q HN 0.498 nan 8.270 nan 0.000 0.426 301 M N -0.073 119.548 119.600 0.035 0.000 2.175 301 M HA -0.166 4.315 4.480 0.001 0.000 0.264 301 M C 2.136 178.450 176.300 0.024 0.000 1.063 301 M CA 1.088 56.407 55.300 0.032 0.000 1.119 301 M CB -0.151 32.452 32.600 0.005 0.000 1.377 301 M HN 0.269 nan 8.290 nan 0.000 0.415 302 L N 0.129 121.334 121.223 -0.030 0.000 2.017 302 L HA -0.239 4.101 4.340 0.001 0.000 0.208 302 L C 2.433 179.352 176.870 0.080 0.000 1.073 302 L CA 1.515 56.336 54.840 -0.032 0.000 0.745 302 L CB -0.624 41.291 42.059 -0.239 0.000 0.894 302 L HN 0.283 nan 8.230 nan 0.000 0.432 303 K N 0.080 120.517 120.400 0.061 0.000 2.097 303 K HA -0.145 4.176 4.320 0.001 0.000 0.206 303 K C 2.029 178.680 176.600 0.086 0.000 1.049 303 K CA 1.255 57.587 56.287 0.076 0.000 0.933 303 K CB -0.179 32.346 32.500 0.041 0.000 0.717 303 K HN 0.264 nan 8.250 nan 0.000 0.442 304 I N 1.036 121.663 120.570 0.094 0.000 2.202 304 I HA -0.267 3.903 4.170 0.001 0.000 0.242 304 I C 2.091 178.362 176.117 0.256 0.000 1.091 304 I CA 1.188 62.571 61.300 0.138 0.000 1.368 304 I CB -0.178 37.897 38.000 0.126 0.000 1.058 304 I HN 0.100 nan 8.210 nan 0.000 0.410 305 L N 0.319 121.683 121.223 0.235 0.000 2.275 305 L HA -0.223 4.117 4.340 0.001 0.000 0.215 305 L C 2.029 179.071 176.870 0.286 0.000 1.119 305 L CA 1.165 56.196 54.840 0.318 0.000 0.790 305 L CB -0.618 41.556 42.059 0.191 0.000 0.919 305 L HN 0.301 nan 8.230 nan 0.000 0.443 306 D N -0.490 120.023 120.400 0.189 0.000 2.190 306 D HA -0.312 4.329 4.640 0.001 0.000 0.200 306 D C 2.184 178.505 176.300 0.035 0.000 0.992 306 D CA 1.171 55.241 54.000 0.116 0.000 0.854 306 D CB -0.002 40.857 40.800 0.099 0.000 0.936 306 D HN 0.356 nan 8.370 nan 0.000 0.462 307 H N -1.312 117.666 119.070 -0.154 0.000 2.491 307 H HA -0.099 4.457 4.556 0.001 0.000 0.290 307 H C 0.720 175.700 175.328 -0.580 0.000 1.050 307 H CA 0.951 56.747 56.048 -0.419 0.000 1.309 307 H CB 0.019 29.388 29.762 -0.655 0.000 1.392 307 H HN 0.298 nan 8.280 nan 0.000 0.554 308 F N 0.136 120.097 119.950 0.018 0.000 2.695 308 F HA 0.151 4.679 4.527 0.001 0.000 0.303 308 F C 0.902 176.687 175.800 -0.024 0.000 1.091 308 F CA -0.088 57.905 58.000 -0.012 0.000 1.300 308 F CB -0.279 38.776 39.000 0.093 0.000 1.071 308 F HN 0.052 nan 8.300 nan 0.000 0.578 309 N N 2.030 120.764 118.700 0.057 0.000 2.652 309 N HA -0.219 4.521 4.740 0.001 0.000 0.281 309 N C 0.998 176.513 175.510 0.008 0.000 1.084 309 N CA -0.359 52.690 53.050 -0.002 0.000 0.775 309 N CB -0.381 38.047 38.487 -0.097 0.000 0.923 309 N HN 0.361 nan 8.380 nan 0.000 0.558 310 L N 1.037 122.316 121.223 0.094 0.000 2.051 310 L HA -0.273 4.067 4.340 0.001 0.000 0.214 310 L C 2.453 179.340 176.870 0.028 0.000 1.076 310 L CA 2.170 57.081 54.840 0.118 0.000 0.758 310 L CB -0.686 41.425 42.059 0.086 0.000 0.890 310 L HN 0.662 nan 8.230 nan 0.000 0.433 311 S N -0.276 115.407 115.700 -0.028 0.000 2.537 311 S HA -0.221 4.250 4.470 0.001 0.000 0.240 311 S C 1.731 176.253 174.600 -0.130 0.000 0.981 311 S CA 0.965 59.130 58.200 -0.059 0.000 0.948 311 S CB -0.487 62.686 63.200 -0.045 0.000 0.759 311 S HN 0.690 nan 8.310 nan 0.000 0.531 312 Q N -0.554 119.094 119.800 -0.254 0.000 2.436 312 Q HA 0.037 4.377 4.340 0.001 0.000 0.209 312 Q C -0.468 175.253 176.000 -0.464 0.000 0.965 312 Q CA 0.446 56.019 55.803 -0.384 0.000 0.910 312 Q CB -0.402 28.013 28.738 -0.538 0.000 0.980 312 Q HN 0.690 nan 8.270 nan 0.000 0.491 313 Y N 1.028 121.266 120.300 -0.103 0.000 2.446 313 Y HA 0.311 4.862 4.550 0.001 0.000 0.338 313 Y C -0.383 175.439 175.900 -0.129 0.000 1.055 313 Y CA -2.171 55.844 58.100 -0.141 0.000 1.101 313 Y CB 1.108 39.442 38.460 -0.210 0.000 1.221 313 Y HN -0.011 nan 8.280 nan 0.000 0.460 314 D N 0.469 120.899 120.400 0.050 0.000 2.443 314 D HA -0.027 4.614 4.640 0.001 0.000 0.239 314 D C 1.025 177.299 176.300 -0.045 0.000 1.136 314 D CA 0.251 54.249 54.000 -0.004 0.000 0.879 314 D CB 1.259 42.060 40.800 0.001 0.000 1.195 314 D HN 0.439 nan 8.370 nan 0.000 0.443 315 V N 4.409 124.292 119.914 -0.052 0.000 2.546 315 V HA -0.182 3.939 4.120 0.001 0.000 0.254 315 V C 1.445 177.440 176.094 -0.165 0.000 1.076 315 V CA 1.767 64.008 62.300 -0.098 0.000 1.087 315 V CB -0.407 31.385 31.823 -0.051 0.000 0.674 315 V HN 0.592 nan 8.190 nan 0.000 0.470 316 R N 0.345 120.805 120.500 -0.067 0.000 2.633 316 R HA 0.232 4.572 4.340 0.001 0.000 0.348 316 R C 0.601 176.954 176.300 0.088 0.000 1.100 316 R CA 0.393 56.514 56.100 0.035 0.000 1.068 316 R CB 0.256 30.648 30.300 0.153 0.000 1.351 316 R HN 0.634 nan 8.270 nan 0.000 0.575 317 S N 0.273 115.922 115.700 -0.085 0.000 2.592 317 S HA 0.044 4.514 4.470 0.001 0.000 0.271 317 S C 1.353 175.916 174.600 -0.063 0.000 1.326 317 S CA -1.024 57.121 58.200 -0.092 0.000 1.024 317 S CB 0.617 63.675 63.200 -0.237 0.000 0.921 317 S HN 0.534 nan 8.310 nan 0.000 0.527 318 W N 1.558 122.885 121.300 0.046 0.000 2.392 318 W HA -0.071 4.590 4.660 0.002 0.000 0.279 318 W C 0.718 177.199 176.519 -0.063 0.000 1.225 318 W CA 1.075 58.467 57.345 0.079 0.000 1.233 318 W CB -1.198 28.275 29.460 0.021 0.000 1.122 318 W HN 0.684 nan 8.180 nan 0.000 0.561 319 E N 1.382 120.840 120.200 -1.238 0.000 2.058 319 E HA -0.233 4.118 4.350 0.001 0.000 0.194 319 E C 2.188 178.339 176.600 -0.748 0.000 0.997 319 E CA 2.311 57.887 56.400 -1.374 0.000 0.801 319 E CB -0.517 27.976 29.700 -2.013 0.000 0.746 319 E HN 0.194 nan 8.360 nan 0.000 0.450 320 K N -0.191 119.856 120.400 -0.589 0.000 2.026 320 K HA -0.173 4.148 4.320 0.001 0.000 0.208 320 K C 1.882 178.297 176.600 -0.308 0.000 1.048 320 K CA 1.330 57.383 56.287 -0.389 0.000 0.929 320 K CB -0.176 32.077 32.500 -0.411 0.000 0.713 320 K HN 0.170 nan 8.250 nan 0.000 0.439 321 Y N 1.175 121.408 120.300 -0.112 0.000 2.224 321 Y HA -0.210 4.341 4.550 0.001 0.000 0.289 321 Y C 2.663 178.523 175.900 -0.067 0.000 1.146 321 Y CA 1.594 59.660 58.100 -0.057 0.000 1.182 321 Y CB -0.703 37.753 38.460 -0.008 0.000 0.983 321 Y HN 0.301 nan 8.280 nan 0.000 0.524 322 Q N 0.862 120.716 119.800 0.090 0.000 2.061 322 Q HA -0.163 4.178 4.340 0.001 0.000 0.204 322 Q C 1.871 177.818 176.000 -0.089 0.000 0.984 322 Q CA 1.927 57.758 55.803 0.048 0.000 0.846 322 Q CB -0.728 28.107 28.738 0.161 0.000 0.902 322 Q HN 0.572 nan 8.270 nan 0.000 0.421 323 L N -0.333 120.782 121.223 -0.180 0.000 2.083 323 L HA -0.141 4.200 4.340 0.001 0.000 0.209 323 L C 2.484 179.252 176.870 -0.171 0.000 1.083 323 L CA 0.893 55.575 54.840 -0.264 0.000 0.752 323 L CB -0.478 41.388 42.059 -0.321 0.000 0.899 323 L HN 0.281 nan 8.230 nan 0.000 0.433 324 L N -0.421 120.744 121.223 -0.096 0.000 2.046 324 L HA -0.191 4.149 4.340 0.001 0.000 0.208 324 L C 2.907 179.742 176.870 -0.059 0.000 1.077 324 L CA 1.137 55.952 54.840 -0.042 0.000 0.747 324 L CB -0.659 41.403 42.059 0.005 0.000 0.896 324 L HN 0.251 nan 8.230 nan 0.000 0.432 325 A N -0.255 122.511 122.820 -0.089 0.000 1.877 325 A HA -0.201 4.120 4.320 0.001 0.000 0.216 325 A C 2.179 179.527 177.584 -0.393 0.000 1.186 325 A CA 1.537 53.443 52.037 -0.219 0.000 0.620 325 A CB -0.389 18.495 19.000 -0.194 0.000 0.822 325 A HN 0.355 nan 8.150 nan 0.000 0.443 326 E N -0.415 119.626 120.200 -0.265 0.000 2.110 326 E HA -0.117 4.233 4.350 0.001 0.000 0.193 326 E C 2.129 178.678 176.600 -0.086 0.000 0.988 326 E CA 1.648 57.935 56.400 -0.188 0.000 0.804 326 E CB -0.794 28.823 29.700 -0.138 0.000 0.745 326 E HN 0.608 nan 8.360 nan 0.000 0.458 327 T N 1.376 115.882 114.554 -0.080 0.000 2.737 327 T HA -0.083 4.267 4.350 0.001 0.000 0.265 327 T C 2.048 176.775 174.700 0.045 0.000 1.038 327 T CA 1.149 63.246 62.100 -0.005 0.000 1.144 327 T CB -0.149 68.721 68.868 0.003 0.000 0.866 327 T HN 0.106 nan 8.240 nan 0.000 0.434 328 M N 0.269 119.902 119.600 0.055 0.000 2.149 328 M HA -0.118 4.363 4.480 0.001 0.000 0.261 328 M C 2.130 178.634 176.300 0.341 0.000 1.064 328 M CA 1.642 57.069 55.300 0.211 0.000 1.102 328 M CB -0.508 32.256 32.600 0.273 0.000 1.369 328 M HN 0.444 nan 8.290 nan 0.000 0.408 329 H N -0.055 119.089 119.070 0.123 0.000 2.353 329 H HA -0.107 4.449 4.556 0.001 0.000 0.300 329 H C 2.126 177.498 175.328 0.073 0.000 1.090 329 H CA 1.111 57.214 56.048 0.091 0.000 1.327 329 H CB 0.025 29.813 29.762 0.043 0.000 1.383 329 H HN 0.329 nan 8.280 nan 0.000 0.508 330 L N -0.210 121.122 121.223 0.181 0.000 2.005 330 L HA -0.165 4.176 4.340 0.001 0.000 0.207 330 L C 2.653 179.566 176.870 0.071 0.000 1.072 330 L CA 0.946 55.854 54.840 0.113 0.000 0.744 330 L CB -0.416 41.695 42.059 0.086 0.000 0.895 330 L HN 0.158 nan 8.230 nan 0.000 0.433 331 S N -1.075 114.641 115.700 0.027 0.000 2.356 331 S HA -0.183 4.287 4.470 0.001 0.000 0.223 331 S C 1.933 176.252 174.600 -0.468 0.000 1.032 331 S CA 1.275 59.406 58.200 -0.116 0.000 1.005 331 S CB -0.413 62.745 63.200 -0.070 0.000 0.867 331 S HN 0.292 nan 8.310 nan 0.000 0.449 332 Y N 1.691 121.865 120.300 -0.211 0.000 2.333 332 Y HA -0.037 4.514 4.550 0.001 0.000 0.290 332 Y C 2.514 178.265 175.900 -0.248 0.000 1.144 332 Y CA 0.477 58.414 58.100 -0.271 0.000 1.228 332 Y CB -0.668 37.716 38.460 -0.127 0.000 0.985 332 Y HN 0.272 nan 8.280 nan 0.000 0.542 333 A N -0.134 122.674 122.820 -0.020 0.000 1.898 333 A HA -0.166 4.154 4.320 0.001 0.000 0.216 333 A C 1.916 179.456 177.584 -0.072 0.000 1.181 333 A CA 1.901 53.920 52.037 -0.029 0.000 0.620 333 A CB -0.592 18.423 19.000 0.025 0.000 0.819 333 A HN 0.293 nan 8.150 nan 0.000 0.442 334 D N -0.769 119.599 120.400 -0.054 0.000 2.144 334 D HA -0.139 4.501 4.640 0.001 0.000 0.199 334 D C 2.077 178.325 176.300 -0.086 0.000 0.984 334 D CA 1.188 55.256 54.000 0.113 0.000 0.834 334 D CB -0.296 40.748 40.800 0.406 0.000 0.955 334 D HN 0.536 nan 8.370 nan 0.000 0.465 335 R N 0.665 120.763 120.500 -0.669 0.000 2.081 335 R HA -0.090 4.250 4.340 0.001 0.000 0.235 335 R C 1.977 178.186 176.300 -0.153 0.000 1.131 335 R CA 1.528 57.271 56.100 -0.595 0.000 0.960 335 R CB -0.136 29.650 30.300 -0.857 0.000 0.856 335 R HN 0.079 nan 8.270 nan 0.000 0.436 336 A N -0.344 122.382 122.820 -0.158 0.000 2.067 336 A HA -0.037 4.283 4.320 0.001 0.000 0.219 336 A C 1.987 179.488 177.584 -0.137 0.000 1.158 336 A CA 1.540 53.514 52.037 -0.104 0.000 0.661 336 A CB -0.084 18.865 19.000 -0.084 0.000 0.801 336 A HN 0.421 nan 8.150 nan 0.000 0.452 337 S N -2.029 113.524 115.700 -0.246 0.000 2.456 337 S HA 0.106 4.576 4.470 0.001 0.000 0.224 337 S C 0.937 175.280 174.600 -0.428 0.000 1.035 337 S CA 0.660 58.586 58.200 -0.456 0.000 0.940 337 S CB -0.199 62.462 63.200 -0.898 0.000 0.799 337 S HN 0.701 nan 8.310 nan 0.000 0.508 338 Y N 0.563 120.971 120.300 0.180 0.000 2.527 338 Y HA 0.581 5.131 4.550 0.001 0.000 0.247 338 Y C 0.612 176.587 175.900 0.125 0.000 1.138 338 Y CA -1.122 57.118 58.100 0.233 0.000 1.228 338 Y CB -0.031 38.587 38.460 0.265 0.000 1.252 338 Y HN 0.111 nan 8.280 nan 0.000 0.531 339 A N 0.742 123.684 122.820 0.203 0.000 2.289 339 A HA 0.787 5.108 4.320 0.001 0.000 0.298 339 A C 0.554 178.164 177.584 0.043 0.000 1.208 339 A CA 0.370 52.508 52.037 0.167 0.000 0.845 339 A CB 0.061 19.212 19.000 0.252 0.000 1.125 339 A HN 0.366 nan 8.150 nan 0.000 0.517 340 G N 0.650 109.482 108.800 0.053 0.000 2.548 340 G HA2 0.452 4.413 3.960 0.001 0.000 0.301 340 G HA3 0.452 4.413 3.960 0.001 0.000 0.301 340 G C -1.684 173.274 174.900 0.096 0.000 1.349 340 G CA -0.581 44.540 45.100 0.035 0.000 0.792 340 G HN 0.637 nan 8.290 nan 0.000 0.481 341 D N 0.742 121.209 120.400 0.112 0.000 2.401 341 D HA 0.216 4.856 4.640 0.001 0.000 0.254 341 D C -0.739 175.704 176.300 0.237 0.000 1.192 341 D CA -1.807 52.299 54.000 0.176 0.000 0.885 341 D CB 1.796 42.696 40.800 0.167 0.000 1.147 341 D HN 0.048 nan 8.370 nan 0.000 0.478 342 P HA -0.105 nan 4.420 nan 0.000 0.226 342 P C 0.598 178.002 177.300 0.175 0.000 1.153 342 P CA 0.831 64.038 63.100 0.180 0.000 0.777 342 P CB 0.387 32.165 31.700 0.131 0.000 0.794 343 E N -1.356 118.974 120.200 0.216 0.000 2.274 343 E HA -0.044 4.307 4.350 0.001 0.000 0.194 343 E C 1.301 177.844 176.600 -0.094 0.000 0.996 343 E CA 0.839 57.285 56.400 0.075 0.000 0.840 343 E CB -0.271 29.485 29.700 0.092 0.000 0.772 343 E HN 0.376 nan 8.360 nan 0.000 0.491 344 F N -0.331 119.672 119.950 0.087 0.000 2.602 344 F HA 0.079 4.606 4.527 0.001 0.000 0.284 344 F C 0.847 176.726 175.800 0.132 0.000 1.111 344 F CA -0.449 57.608 58.000 0.095 0.000 1.405 344 F CB 0.832 39.883 39.000 0.086 0.000 1.121 344 F HN -0.185 nan 8.300 nan 0.000 0.603 345 V N -2.229 117.889 119.914 0.342 0.000 3.001 345 V HA 0.408 4.529 4.120 0.001 0.000 0.314 345 V C -0.751 175.560 176.094 0.362 0.000 1.099 345 V CA -1.128 61.392 62.300 0.365 0.000 0.989 345 V CB 1.639 33.651 31.823 0.315 0.000 1.040 345 V HN 0.160 nan 8.190 nan 0.000 0.434 346 N N 1.224 120.210 118.700 0.477 0.000 2.406 346 N HA 0.470 5.211 4.740 0.001 0.000 0.251 346 N C -0.990 174.899 175.510 0.633 0.000 1.069 346 N CA -0.384 52.943 53.050 0.461 0.000 0.947 346 N CB 1.216 39.942 38.487 0.399 0.000 1.111 346 N HN 0.647 nan 8.380 nan 0.000 0.497 347 V N 5.991 126.127 119.914 0.370 0.000 2.383 347 V HA 0.285 4.405 4.120 0.001 0.000 0.275 347 V C -1.663 174.432 176.094 0.002 0.000 1.036 347 V CA -1.377 61.071 62.300 0.246 0.000 0.889 347 V CB 1.358 33.267 31.823 0.144 0.000 0.985 347 V HN 0.668 nan 8.190 nan 0.000 0.459 348 P HA 0.076 nan 4.420 nan 0.000 0.226 348 P C 1.046 178.061 177.300 -0.474 0.000 1.783 348 P CA 0.061 62.684 63.100 -0.794 0.000 0.980 348 P CB 0.402 30.960 31.700 -1.903 0.000 1.967 349 L N 1.279 122.349 121.223 -0.256 0.000 2.042 349 L HA -0.204 4.137 4.340 0.001 0.000 0.210 349 L C 2.289 179.049 176.870 -0.184 0.000 1.076 349 L CA 1.786 56.503 54.840 -0.205 0.000 0.749 349 L CB -0.210 41.776 42.059 -0.123 0.000 0.893 349 L HN 0.032 nan 8.230 nan 0.000 0.432 350 K N -0.594 119.719 120.400 -0.144 0.000 2.097 350 K HA -0.093 4.228 4.320 0.001 0.000 0.205 350 K C 1.949 178.499 176.600 -0.082 0.000 1.050 350 K CA 1.114 57.356 56.287 -0.076 0.000 0.938 350 K CB -0.390 32.098 32.500 -0.021 0.000 0.718 350 K HN 0.559 nan 8.250 nan 0.000 0.442 351 G N 1.186 109.853 108.800 -0.221 0.000 2.403 351 G HA2 -0.186 3.774 3.960 0.001 0.000 0.216 351 G HA3 -0.186 3.774 3.960 0.001 0.000 0.216 351 G C 1.420 176.080 174.900 -0.400 0.000 1.154 351 G CA 0.301 45.232 45.100 -0.282 0.000 0.784 351 G HN 0.095 nan 8.290 nan 0.000 0.538 352 L N -0.195 120.770 121.223 -0.430 0.000 2.362 352 L HA 0.145 4.486 4.340 0.001 0.000 0.219 352 L C 2.080 178.950 176.870 0.001 0.000 1.134 352 L CA 0.472 55.135 54.840 -0.295 0.000 0.807 352 L CB -0.053 41.856 42.059 -0.250 0.000 0.927 352 L HN 0.185 nan 8.230 nan 0.000 0.447 353 L N -2.156 119.041 121.223 -0.044 0.000 2.766 353 L HA 0.145 4.485 4.340 0.001 0.000 0.242 353 L C 0.746 177.627 176.870 0.018 0.000 1.136 353 L CA -0.358 54.479 54.840 -0.004 0.000 0.933 353 L CB -0.092 41.931 42.059 -0.060 0.000 1.241 353 L HN 0.186 nan 8.230 nan 0.000 0.522 354 H N 3.639 122.675 119.070 -0.057 0.000 2.886 354 H HA 0.042 4.598 4.556 0.001 0.000 0.329 354 H C -1.535 173.718 175.328 -0.125 0.000 1.044 354 H CA -1.105 54.890 56.048 -0.089 0.000 1.456 354 H CB 1.693 31.384 29.762 -0.118 0.000 1.464 354 H HN -0.059 nan 8.280 nan 0.000 0.573 355 P HA -0.182 nan 4.420 nan 0.000 0.216 355 P C 0.717 177.982 177.300 -0.059 0.000 1.150 355 P CA 1.239 64.252 63.100 -0.146 0.000 0.843 355 P CB 0.465 32.049 31.700 -0.193 0.000 0.787 356 D N -1.857 118.590 120.400 0.079 0.000 2.277 356 D HA -0.125 4.516 4.640 0.001 0.000 0.208 356 D C 1.907 177.950 176.300 -0.428 0.000 0.962 356 D CA 0.701 54.615 54.000 -0.144 0.000 0.865 356 D CB -0.525 40.254 40.800 -0.035 0.000 0.939 356 D HN 0.231 nan 8.370 nan 0.000 0.510 357 Y N 1.586 121.438 120.300 -0.746 0.000 2.206 357 Y HA -0.099 4.451 4.550 0.001 0.000 0.292 357 Y C 2.106 177.891 175.900 -0.191 0.000 1.123 357 Y CA 0.790 58.559 58.100 -0.552 0.000 1.142 357 Y CB -0.195 38.009 38.460 -0.426 0.000 1.006 357 Y HN -0.207 nan 8.280 nan 0.000 0.518 358 I N 1.183 121.661 120.570 -0.153 0.000 2.248 358 I HA -0.330 3.841 4.170 0.001 0.000 0.248 358 I C 2.365 178.366 176.117 -0.193 0.000 1.107 358 I CA 1.736 62.942 61.300 -0.157 0.000 1.373 358 I CB -1.219 36.749 38.000 -0.053 0.000 1.055 358 I HN 0.308 nan 8.210 nan 0.000 0.418 359 K N 1.134 121.426 120.400 -0.180 0.000 2.097 359 K HA -0.184 4.137 4.320 0.001 0.000 0.205 359 K C 1.942 178.435 176.600 -0.178 0.000 1.050 359 K CA 1.298 57.477 56.287 -0.180 0.000 0.938 359 K CB 0.046 32.467 32.500 -0.132 0.000 0.718 359 K HN 0.322 nan 8.250 nan 0.000 0.442 360 E N -0.040 120.047 120.200 -0.188 0.000 2.085 360 E HA -0.183 4.168 4.350 0.001 0.000 0.194 360 E C 2.114 178.614 176.600 -0.167 0.000 0.994 360 E CA 0.979 57.292 56.400 -0.145 0.000 0.801 360 E CB 0.116 29.743 29.700 -0.121 0.000 0.743 360 E HN 0.217 nan 8.360 nan 0.000 0.453 361 R N 0.694 121.035 120.500 -0.264 0.000 2.073 361 R HA -0.068 4.273 4.340 0.001 0.000 0.229 361 R C 2.186 178.462 176.300 -0.040 0.000 1.120 361 R CA 0.991 56.989 56.100 -0.170 0.000 0.967 361 R CB -0.583 29.582 30.300 -0.225 0.000 0.862 361 R HN 0.353 nan 8.270 nan 0.000 0.436 362 Q N 0.546 120.319 119.800 -0.045 0.000 2.170 362 Q HA -0.189 4.151 4.340 0.001 0.000 0.203 362 Q C 2.021 178.067 176.000 0.075 0.000 0.976 362 Q CA 1.195 57.039 55.803 0.069 0.000 0.858 362 Q CB -0.102 28.510 28.738 -0.210 0.000 0.907 362 Q HN 0.138 nan 8.270 nan 0.000 0.433 363 Q N 0.727 120.498 119.800 -0.048 0.000 2.181 363 Q HA -0.096 4.245 4.340 0.001 0.000 0.205 363 Q C 1.619 177.655 176.000 0.060 0.000 0.980 363 Q CA 1.246 57.044 55.803 -0.008 0.000 0.862 363 Q CB -0.047 28.672 28.738 -0.031 0.000 0.905 363 Q HN 0.403 nan 8.270 nan 0.000 0.429 364 L N -0.438 120.818 121.223 0.055 0.000 2.552 364 L HA 0.111 4.452 4.340 0.001 0.000 0.227 364 L C 0.287 177.202 176.870 0.076 0.000 1.146 364 L CA -0.085 54.791 54.840 0.060 0.000 0.858 364 L CB 0.005 42.090 42.059 0.042 0.000 0.969 364 L HN 0.090 nan 8.230 nan 0.000 0.451 365 I N 0.705 121.346 120.570 0.117 0.000 2.353 365 I HA 0.171 4.341 4.170 0.001 0.000 0.293 365 I C -0.376 175.797 176.117 0.093 0.000 0.992 365 I CA -0.149 61.182 61.300 0.052 0.000 1.268 365 I CB 0.924 38.889 38.000 -0.058 0.000 1.387 365 I HN 0.112 nan 8.210 nan 0.000 0.478 366 N N 6.372 125.089 118.700 0.027 0.000 2.295 366 N HA 0.302 5.043 4.740 0.001 0.000 0.293 366 N C 0.580 176.107 175.510 0.028 0.000 1.040 366 N CA -0.619 52.475 53.050 0.073 0.000 0.840 366 N CB 2.991 41.527 38.487 0.081 0.000 1.468 366 N HN 0.572 nan 8.380 nan 0.000 0.478 367 L N 0.637 121.895 121.223 0.060 0.000 2.131 367 L HA -0.096 4.245 4.340 0.001 0.000 0.210 367 L C 0.600 177.588 176.870 0.196 0.000 1.092 367 L CA 1.417 56.297 54.840 0.065 0.000 0.759 367 L CB 0.166 42.267 42.059 0.070 0.000 0.903 367 L HN 0.471 nan 8.230 nan 0.000 0.435 368 D N -0.706 119.789 120.400 0.158 0.000 2.340 368 D HA 0.042 4.682 4.640 0.001 0.000 0.217 368 D C 0.297 176.634 176.300 0.062 0.000 1.081 368 D CA 0.161 54.243 54.000 0.138 0.000 0.842 368 D CB 0.532 41.407 40.800 0.126 0.000 0.934 368 D HN 0.556 nan 8.370 nan 0.000 0.511 369 Q N -0.920 118.914 119.800 0.057 0.000 2.501 369 Q HA 0.561 4.901 4.340 0.001 0.000 0.288 369 Q C -1.302 174.717 176.000 0.031 0.000 1.051 369 Q CA -0.959 54.863 55.803 0.031 0.000 0.788 369 Q CB 1.973 30.730 28.738 0.032 0.000 1.469 369 Q HN -0.246 nan 8.270 nan 0.000 0.416 370 V N 2.018 121.947 119.914 0.025 0.000 2.472 370 V HA 0.311 4.432 4.120 0.001 0.000 0.290 370 V C -0.409 175.714 176.094 0.048 0.000 1.037 370 V CA -0.850 61.471 62.300 0.036 0.000 0.908 370 V CB 1.509 33.355 31.823 0.037 0.000 0.985 370 V HN 0.814 nan 8.190 nan 0.000 0.454 371 N N 3.700 122.440 118.700 0.066 0.000 2.401 371 N HA 0.174 4.915 4.740 0.001 0.000 0.255 371 N C 0.624 176.180 175.510 0.076 0.000 1.110 371 N CA 0.014 53.104 53.050 0.067 0.000 0.949 371 N CB 0.938 39.470 38.487 0.075 0.000 1.110 371 N HN 0.592 nan 8.380 nan 0.000 0.490 372 K N 2.214 122.642 120.400 0.046 0.000 2.426 372 K HA 0.091 4.412 4.320 0.001 0.000 0.193 372 K C -0.104 176.500 176.600 0.008 0.000 1.028 372 K CA 0.661 56.965 56.287 0.028 0.000 1.047 372 K CB 0.413 32.923 32.500 0.016 0.000 0.821 372 K HN 0.405 nan 8.250 nan 0.000 0.513 373 K N 1.695 122.105 120.400 0.016 0.000 3.084 373 K HA 0.179 4.500 4.320 0.001 0.000 0.172 373 K C -2.736 173.875 176.600 0.018 0.000 1.078 373 K CA -1.377 54.913 56.287 0.006 0.000 0.875 373 K CB 1.310 33.817 32.500 0.012 0.000 1.064 373 K HN -0.043 nan 8.250 nan 0.000 0.597 374 P HA 0.074 nan 4.420 nan 0.000 0.271 374 P C -0.780 176.537 177.300 0.029 0.000 1.216 374 P CA -0.046 63.078 63.100 0.041 0.000 0.771 374 P CB 1.073 32.807 31.700 0.057 0.000 0.864 375 K N 1.056 121.489 120.400 0.056 0.000 2.482 375 K HA 0.646 4.967 4.320 0.001 0.000 0.257 375 K C -0.500 176.162 176.600 0.102 0.000 0.969 375 K CA -1.010 55.315 56.287 0.062 0.000 0.842 375 K CB 2.613 35.153 32.500 0.068 0.000 1.359 375 K HN 0.465 nan 8.250 nan 0.000 0.441 376 A N 0.753 123.640 122.820 0.112 0.000 2.425 376 A HA 0.510 4.831 4.320 0.001 0.000 0.242 376 A C 0.406 178.173 177.584 0.304 0.000 1.077 376 A CA 0.400 52.561 52.037 0.207 0.000 0.781 376 A CB 0.206 19.284 19.000 0.131 0.000 1.020 376 A HN 0.764 nan 8.150 nan 0.000 0.494 377 G N -0.637 108.428 108.800 0.443 0.000 2.606 377 G HA2 0.455 4.416 3.960 0.001 0.000 0.262 377 G HA3 0.455 4.416 3.960 0.001 0.000 0.262 377 G C -0.943 174.269 174.900 0.521 0.000 1.394 377 G CA -0.028 45.348 45.100 0.461 0.000 1.044 377 G HN 0.670 nan 8.290 nan 0.000 0.553 378 D N -0.299 120.391 120.400 0.482 0.000 2.458 378 D HA 0.341 4.982 4.640 0.001 0.000 0.258 378 D C -1.208 175.100 176.300 0.013 0.000 1.134 378 D CA -2.022 52.142 54.000 0.273 0.000 0.915 378 D CB 1.517 42.466 40.800 0.247 0.000 1.028 378 D HN 0.005 nan 8.370 nan 0.000 0.508 379 P HA -0.079 nan 4.420 nan 0.000 0.223 379 P C 1.054 178.022 177.300 -0.553 0.000 1.151 379 P CA 0.512 63.053 63.100 -0.933 0.000 0.787 379 P CB 0.029 30.959 31.700 -1.284 0.000 0.788 380 W N 1.185 122.313 121.300 -0.286 0.000 2.525 380 W HA -0.047 4.613 4.660 0.000 0.000 0.259 380 W C 2.323 178.721 176.519 -0.202 0.000 1.253 380 W CA 0.414 57.636 57.345 -0.205 0.000 1.262 380 W CB -0.594 28.768 29.460 -0.163 0.000 1.122 380 W HN -0.068 nan 8.180 nan 0.000 0.607 381 K N -0.436 119.910 120.400 -0.089 0.000 2.439 381 K HA -0.118 4.203 4.320 0.001 0.000 0.197 381 K C 0.542 176.771 176.600 -0.619 0.000 1.041 381 K CA 1.169 57.256 56.287 -0.332 0.000 0.970 381 K CB -0.474 31.753 32.500 -0.455 0.000 0.773 381 K HN 0.219 nan 8.250 nan 0.000 0.479 382 Y N 0.318 120.515 120.300 -0.171 0.000 2.584 382 Y HA 0.271 4.821 4.550 0.001 0.000 0.254 382 Y C -0.220 175.552 175.900 -0.214 0.000 1.177 382 Y CA -0.480 57.436 58.100 -0.308 0.000 1.216 382 Y CB 0.353 38.550 38.460 -0.438 0.000 1.172 382 Y HN 0.147 nan 8.280 nan 0.000 0.529 383 Q N -2.186 117.590 119.800 -0.040 0.000 2.685 383 Q HA 0.415 4.755 4.340 0.001 0.000 0.301 383 Q C -1.234 174.804 176.000 0.064 0.000 0.924 383 Q CA -1.140 54.671 55.803 0.013 0.000 0.755 383 Q CB 1.463 30.185 28.738 -0.027 0.000 1.470 383 Q HN 0.051 nan 8.270 nan 0.000 0.434 384 E N -0.033 120.217 120.200 0.084 0.000 2.349 384 E HA 0.526 4.877 4.350 0.001 0.000 0.262 384 E C 0.158 176.866 176.600 0.181 0.000 1.088 384 E CA 0.426 56.884 56.400 0.098 0.000 0.899 384 E CB 1.035 30.773 29.700 0.064 0.000 1.044 384 E HN 0.931 nan 8.360 nan 0.000 0.420 385 G N 0.814 109.678 108.800 0.107 0.000 2.760 385 G HA2 -0.169 3.792 3.960 0.001 0.000 0.246 385 G HA3 -0.169 3.792 3.960 0.001 0.000 0.246 385 G C -0.593 174.242 174.900 -0.109 0.000 1.359 385 G CA -0.372 44.758 45.100 0.050 0.000 0.861 385 G HN 0.502 nan 8.290 nan 0.000 0.541 386 S N -1.064 114.313 115.700 -0.539 0.000 2.607 386 S HA 0.855 5.325 4.470 0.001 0.000 0.273 386 S C 0.477 174.150 174.600 -1.546 0.000 1.148 386 S CA 0.217 57.674 58.200 -1.238 0.000 0.833 386 S CB 1.682 64.483 63.200 -0.665 0.000 1.130 386 S HN 2.189 nan 8.310 nan 0.000 0.470 387 A N 2.076 123.796 122.820 -1.834 0.000 2.483 387 A HA 0.357 4.677 4.320 0.001 0.000 0.238 387 A C 0.516 177.611 177.584 -0.815 0.000 1.070 387 A CA -0.250 51.053 52.037 -1.224 0.000 0.770 387 A CB -0.214 18.055 19.000 -1.219 0.000 1.008 387 A HN 0.793 nan 8.150 nan 0.000 0.497 388 N N 0.681 119.027 118.700 -0.589 0.000 2.635 388 N HA 0.356 5.097 4.740 0.001 0.000 0.307 388 N C -1.009 174.489 175.510 -0.020 0.000 1.433 388 N CA -0.242 52.686 53.050 -0.204 0.000 0.973 388 N CB -0.229 38.249 38.487 -0.014 0.000 1.304 388 N HN 0.641 nan 8.380 nan 0.000 0.507 389 Y N -2.727 117.594 120.300 0.035 0.000 2.741 389 Y HA 0.536 5.087 4.550 0.001 0.000 0.339 389 Y C -0.920 175.010 175.900 0.051 0.000 1.226 389 Y CA -1.332 56.805 58.100 0.062 0.000 1.072 389 Y CB 0.656 39.179 38.460 0.105 0.000 1.331 389 Y HN -0.211 nan 8.280 nan 0.000 0.453 390 K N 0.170 120.734 120.400 0.273 0.000 2.393 390 K HA 0.485 4.806 4.320 0.001 0.000 0.241 390 K C -0.957 175.777 176.600 0.224 0.000 1.055 390 K CA -1.329 55.061 56.287 0.172 0.000 0.951 390 K CB 0.746 33.306 32.500 0.100 0.000 1.285 390 K HN 0.522 nan 8.250 nan 0.000 0.500 391 Q N 1.490 121.368 119.800 0.130 0.000 2.340 391 Q HA 0.343 4.683 4.340 0.001 0.000 0.259 391 Q C -1.117 174.917 176.000 0.057 0.000 0.964 391 Q CA -0.399 55.455 55.803 0.086 0.000 0.900 391 Q CB 1.572 30.345 28.738 0.058 0.000 1.228 391 Q HN 0.239 nan 8.270 nan 0.000 0.449 392 V N 2.354 122.294 119.914 0.043 0.000 2.443 392 V HA 0.186 4.307 4.120 0.001 0.000 0.293 392 V C 0.059 176.161 176.094 0.013 0.000 1.021 392 V CA -0.961 61.358 62.300 0.032 0.000 0.848 392 V CB 1.998 33.847 31.823 0.042 0.000 0.998 392 V HN 0.664 nan 8.190 nan 0.000 0.424 393 E N 4.024 124.229 120.200 0.008 0.000 2.415 393 E HA 0.198 4.548 4.350 0.001 0.000 0.262 393 E C -0.407 176.192 176.600 -0.001 0.000 1.038 393 E CA 0.145 56.542 56.400 -0.004 0.000 0.921 393 E CB 0.595 30.293 29.700 -0.004 0.000 0.950 393 E HN 0.548 nan 8.360 nan 0.000 0.438 394 Q N 3.324 123.116 119.800 -0.012 0.000 2.348 394 Q HA 0.459 4.799 4.340 0.001 0.000 0.271 394 Q C -1.829 174.160 176.000 -0.018 0.000 1.067 394 Q CA -1.766 54.031 55.803 -0.009 0.000 0.839 394 Q CB 1.019 29.746 28.738 -0.018 0.000 1.354 394 Q HN 0.666 nan 8.270 nan 0.000 0.447 395 P HA 0.000 nan 4.420 nan 0.000 0.216 395 P CA 0.000 63.090 63.100 -0.017 0.000 0.800 395 P CB 0.000 31.702 31.700 0.003 0.000 0.726