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 1f4j_1_D DATA FIRST_RESID 24 DATA SEQUENCE ADVLTTGAGN PVGDKLNVIT VGPRGPLLVQ DVVFTDEMAH FDRERIPERV DATA SEQUENCE VHAKGAGAFG YFEVTHDITK YSKAKVFEHI GKKTPIAVRF STVAGESGSA DATA SEQUENCE DTVRDPRGFA VKFYTEDGNW DLVGNNTPIF FIRDPILFPS FIHSQKRNPQ DATA SEQUENCE THLKDPDMVW DFWSLRPESL HQVSFLFSDR GIPDGHRHMN GYGSHTFKLV DATA SEQUENCE NANGEAVYCK FHYKTDQGIK NLSVEDAARL SQEDPDYGIR DLFNAIATGK DATA SEQUENCE YPSWTFYIQV MTFNQAETFP FNPFDLTKVW PHKDYPLIPV GKLVLNRNPV DATA SEQUENCE NYFAEVEQIA FDPSNMPPGI EASPDKMLQG RLFAYPDTHR HRLGPNYLHI DATA SEQUENCE PVNCPYRARV ANYQRDGPMC MQDNQGGAPN YYPNSFGAPE QQPSALEHSI DATA SEQUENCE QYSGEVRRFN TANDDNVTQV RAFYVNVLNE EQRKRLCENI AGHLKDAQIF DATA SEQUENCE IQKKAVKNFT EVHPDYGSHI QALLDKYNA 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 24 A HA 0.000 nan 4.320 nan 0.000 0.244 24 A C 0.000 177.581 177.584 -0.006 0.000 1.274 24 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 24 A CB 0.000 18.998 19.000 -0.003 0.000 0.831 25 D N 0.673 121.069 120.400 -0.007 0.000 2.474 25 D HA 0.188 4.828 4.640 0.000 0.000 0.232 25 D C 0.217 176.511 176.300 -0.009 0.000 1.177 25 D CA 0.775 54.770 54.000 -0.009 0.000 0.876 25 D CB 0.999 41.793 40.800 -0.011 0.000 1.208 25 D HN 0.273 nan 8.370 nan 0.000 0.464 26 V N 3.311 123.219 119.914 -0.010 0.000 2.461 26 V HA 0.009 4.129 4.120 0.000 0.000 0.275 26 V C 0.455 176.542 176.094 -0.012 0.000 1.047 26 V CA -0.678 61.616 62.300 -0.010 0.000 0.955 26 V CB 1.328 33.146 31.823 -0.009 0.000 0.988 26 V HN 0.309 nan 8.190 nan 0.000 0.471 27 L N 7.071 128.288 121.223 -0.011 0.000 2.455 27 L HA 0.441 4.781 4.340 0.000 0.000 0.272 27 L C 0.508 177.369 176.870 -0.015 0.000 1.174 27 L CA 0.940 55.771 54.840 -0.014 0.000 0.869 27 L CB 0.729 42.781 42.059 -0.011 0.000 1.130 27 L HN 0.968 nan 8.230 nan 0.000 0.474 28 T N 0.562 115.104 114.554 -0.020 0.000 2.838 28 T HA 0.738 5.088 4.350 0.000 0.000 0.292 28 T C 0.081 174.765 174.700 -0.027 0.000 1.113 28 T CA -0.146 61.942 62.100 -0.020 0.000 1.008 28 T CB 1.202 70.057 68.868 -0.022 0.000 1.259 28 T HN 0.787 nan 8.240 nan 0.000 0.520 29 T N -1.860 112.681 114.554 -0.022 0.000 2.824 29 T HA 0.526 4.876 4.350 0.000 0.000 0.277 29 T C 1.799 176.477 174.700 -0.037 0.000 0.975 29 T CA -0.122 61.962 62.100 -0.026 0.000 0.966 29 T CB 0.339 69.199 68.868 -0.013 0.000 1.054 29 T HN 0.993 nan 8.240 nan 0.000 0.533 30 G N -0.253 108.521 108.800 -0.043 0.000 2.462 30 G HA2 0.037 3.997 3.960 0.000 0.000 0.220 30 G HA3 0.037 3.997 3.960 0.000 0.000 0.220 30 G C 1.402 176.285 174.900 -0.029 0.000 1.121 30 G CA 0.484 45.554 45.100 -0.049 0.000 0.758 30 G HN 1.104 nan 8.290 nan 0.000 0.559 31 A N -0.283 122.526 122.820 -0.018 0.000 2.278 31 A HA 0.491 4.811 4.320 0.000 0.000 0.212 31 A C 1.911 179.488 177.584 -0.013 0.000 1.213 31 A CA 1.124 53.154 52.037 -0.012 0.000 0.840 31 A CB -0.521 18.476 19.000 -0.005 0.000 0.866 31 A HN 1.555 nan 8.150 nan 0.000 0.489 32 G N -0.344 108.445 108.800 -0.018 0.000 2.143 32 G HA2 -0.269 3.691 3.960 0.000 0.000 0.248 32 G HA3 -0.269 3.691 3.960 0.000 0.000 0.248 32 G C -0.144 174.748 174.900 -0.013 0.000 0.991 32 G CA 0.182 45.272 45.100 -0.017 0.000 0.689 32 G HN 0.676 nan 8.290 nan 0.000 0.522 33 N N 1.547 120.241 118.700 -0.010 0.000 2.472 33 N HA 0.472 5.212 4.740 0.000 0.000 0.277 33 N C -2.649 172.857 175.510 -0.007 0.000 1.081 33 N CA -1.572 51.474 53.050 -0.006 0.000 0.973 33 N CB 1.197 39.682 38.487 -0.003 0.000 1.105 33 N HN 0.066 nan 8.380 nan 0.000 0.470 34 P HA 0.002 nan 4.420 nan 0.000 0.268 34 P C -0.794 176.505 177.300 -0.002 0.000 1.205 34 P CA -0.074 63.022 63.100 -0.005 0.000 0.771 34 P CB 0.710 32.407 31.700 -0.005 0.000 0.858 35 V N 3.697 123.609 119.914 -0.002 0.000 2.333 35 V HA 0.261 4.381 4.120 0.000 0.000 0.274 35 V C 1.608 177.703 176.094 0.002 0.000 1.028 35 V CA 0.402 62.703 62.300 0.002 0.000 0.851 35 V CB 0.656 32.480 31.823 0.001 0.000 1.000 35 V HN 0.813 nan 8.190 nan 0.000 0.456 36 G N 3.372 112.174 108.800 0.003 0.000 2.402 36 G HA2 -0.100 3.860 3.960 0.000 0.000 0.216 36 G HA3 -0.100 3.860 3.960 0.000 0.000 0.216 36 G C 0.358 175.260 174.900 0.002 0.000 1.162 36 G CA 0.818 45.919 45.100 0.002 0.000 0.777 36 G HN 0.659 nan 8.290 nan 0.000 0.539 37 D N -1.501 118.902 120.400 0.005 0.000 2.616 37 D HA 0.203 4.843 4.640 0.000 0.000 0.238 37 D C -0.350 175.957 176.300 0.011 0.000 1.354 37 D CA -0.572 53.431 54.000 0.005 0.000 0.970 37 D CB 1.242 42.044 40.800 0.002 0.000 1.369 37 D HN -0.002 nan 8.370 nan 0.000 0.585 38 K N 3.966 124.372 120.400 0.011 0.000 2.593 38 K HA 0.279 4.599 4.320 0.000 0.000 0.208 38 K C 0.541 177.151 176.600 0.017 0.000 1.051 38 K CA -0.116 56.183 56.287 0.019 0.000 1.111 38 K CB 0.349 32.856 32.500 0.011 0.000 0.849 38 K HN 0.479 nan 8.250 nan 0.000 0.479 39 L N -0.310 120.919 121.223 0.010 0.000 2.749 39 L HA 0.234 4.574 4.340 0.000 0.000 0.242 39 L C -0.088 176.781 176.870 -0.002 0.000 1.103 39 L CA -0.026 54.816 54.840 0.003 0.000 0.906 39 L CB 0.376 42.433 42.059 -0.003 0.000 1.228 39 L HN 0.061 nan 8.230 nan 0.000 0.517 40 N N -0.335 118.363 118.700 -0.003 0.000 2.229 40 N HA 0.359 5.099 4.740 0.000 0.000 0.298 40 N C -1.219 174.277 175.510 -0.023 0.000 1.114 40 N CA -0.198 52.840 53.050 -0.019 0.000 0.776 40 N CB 3.563 42.037 38.487 -0.020 0.000 1.501 40 N HN -0.286 nan 8.380 nan 0.000 0.474 41 V N 1.609 121.485 119.914 -0.062 0.000 2.837 41 V HA 0.474 4.594 4.120 0.000 0.000 0.310 41 V C -0.020 176.025 176.094 -0.082 0.000 1.059 41 V CA -0.746 61.496 62.300 -0.097 0.000 1.004 41 V CB 1.418 33.088 31.823 -0.255 0.000 1.045 41 V HN 0.486 nan 8.190 nan 0.000 0.465 42 I N 4.889 125.417 120.570 -0.070 0.000 2.379 42 I HA 0.294 4.464 4.170 0.000 0.000 0.290 42 I C 0.505 176.582 176.117 -0.067 0.000 1.063 42 I CA 0.280 61.550 61.300 -0.050 0.000 1.351 42 I CB 0.862 38.847 38.000 -0.024 0.000 1.410 42 I HN 0.799 nan 8.210 nan 0.000 0.505 43 T N 2.626 117.146 114.554 -0.056 0.000 2.907 43 T HA 0.453 4.803 4.350 0.000 0.000 0.290 43 T C -0.455 174.223 174.700 -0.036 0.000 1.066 43 T CA -0.823 61.244 62.100 -0.055 0.000 1.012 43 T CB 2.082 70.914 68.868 -0.060 0.000 1.184 43 T HN 0.238 nan 8.240 nan 0.000 0.522 44 V N 1.799 121.694 119.914 -0.032 0.000 2.304 44 V HA 0.630 4.750 4.120 0.000 0.000 0.262 44 V C 0.610 176.690 176.094 -0.022 0.000 1.061 44 V CA 1.217 63.503 62.300 -0.023 0.000 0.872 44 V CB -0.752 31.059 31.823 -0.019 0.000 1.077 44 V HN 1.806 nan 8.190 nan 0.000 0.480 45 G N 7.112 115.900 108.800 -0.020 0.000 2.746 45 G HA2 -0.118 3.842 3.960 0.000 0.000 0.685 45 G HA3 -0.118 3.842 3.960 0.000 0.000 0.685 45 G C -1.721 173.166 174.900 -0.022 0.000 1.350 45 G CA -0.180 44.909 45.100 -0.019 0.000 0.837 45 G HN 0.561 nan 8.290 nan 0.000 0.564 46 P HA -0.038 nan 4.420 nan 0.000 0.219 46 P C 0.948 178.232 177.300 -0.026 0.000 1.150 46 P CA 1.121 64.207 63.100 -0.023 0.000 0.814 46 P CB 0.154 31.843 31.700 -0.019 0.000 0.787 47 R N 0.165 120.651 120.500 -0.024 0.000 2.865 47 R HA 0.441 4.781 4.340 0.000 0.000 0.370 47 R C 0.680 176.965 176.300 -0.026 0.000 1.168 47 R CA -0.297 55.788 56.100 -0.025 0.000 1.058 47 R CB 0.937 31.225 30.300 -0.020 0.000 1.419 47 R HN 0.125 nan 8.270 nan 0.000 0.580 48 G N 1.109 109.892 108.800 -0.029 0.000 2.644 48 G HA2 0.524 4.484 3.960 0.000 0.000 0.307 48 G HA3 0.524 4.484 3.960 0.000 0.000 0.307 48 G C -2.677 172.201 174.900 -0.037 0.000 1.250 48 G CA -1.535 43.547 45.100 -0.029 0.000 0.996 48 G HN -0.120 nan 8.290 nan 0.000 0.489 49 P HA 0.192 nan 4.420 nan 0.000 0.270 49 P C -0.287 176.980 177.300 -0.055 0.000 1.227 49 P CA -0.527 62.548 63.100 -0.042 0.000 0.788 49 P CB 0.561 32.244 31.700 -0.029 0.000 0.926 50 L N 1.714 122.894 121.223 -0.073 0.000 2.371 50 L HA 0.288 4.628 4.340 0.000 0.000 0.272 50 L C -0.926 175.908 176.870 -0.060 0.000 1.124 50 L CA -0.027 54.752 54.840 -0.101 0.000 0.816 50 L CB -0.168 41.792 42.059 -0.166 0.000 1.129 50 L HN 0.112 nan 8.230 nan 0.000 0.448 51 L N 4.999 126.191 121.223 -0.051 0.000 2.325 51 L HA 0.314 4.654 4.340 0.000 0.000 0.279 51 L C 1.120 177.997 176.870 0.012 0.000 1.054 51 L CA -0.093 54.737 54.840 -0.016 0.000 0.804 51 L CB 1.642 43.694 42.059 -0.012 0.000 1.200 51 L HN 0.529 nan 8.230 nan 0.000 0.436 52 V N 1.762 121.691 119.914 0.025 0.000 2.407 52 V HA -0.261 3.859 4.120 0.000 0.000 0.248 52 V C 2.180 178.305 176.094 0.052 0.000 1.055 52 V CA 2.050 64.379 62.300 0.048 0.000 1.049 52 V CB -0.700 31.145 31.823 0.037 0.000 0.662 52 V HN 1.056 nan 8.190 nan 0.000 0.455 53 Q N 0.196 120.017 119.800 0.034 0.000 2.500 53 Q HA -0.158 4.182 4.340 0.000 0.000 0.213 53 Q C 0.816 176.842 176.000 0.043 0.000 0.974 53 Q CA 1.103 56.926 55.803 0.033 0.000 0.918 53 Q CB -0.449 28.301 28.738 0.020 0.000 0.980 53 Q HN 0.540 nan 8.270 nan 0.000 0.505 54 D N 1.366 121.799 120.400 0.056 0.000 2.600 54 D HA 0.032 4.672 4.640 0.000 0.000 0.226 54 D C 0.675 177.048 176.300 0.121 0.000 1.119 54 D CA -0.133 53.912 54.000 0.076 0.000 1.051 54 D CB 0.662 41.502 40.800 0.067 0.000 1.106 54 D HN 0.029 nan 8.370 nan 0.000 0.491 55 V N 2.599 122.561 119.914 0.080 0.000 2.626 55 V HA -0.213 3.907 4.120 0.000 0.000 0.252 55 V C 2.484 178.618 176.094 0.067 0.000 1.067 55 V CA 0.863 63.204 62.300 0.068 0.000 1.081 55 V CB 0.003 31.850 31.823 0.040 0.000 0.686 55 V HN 0.391 nan 8.190 nan 0.000 0.468 56 V N -0.295 119.664 119.914 0.075 0.000 2.295 56 V HA -0.290 3.830 4.120 0.000 0.000 0.246 56 V C 2.141 178.285 176.094 0.082 0.000 1.049 56 V CA 2.595 64.932 62.300 0.063 0.000 1.024 56 V CB -0.774 31.085 31.823 0.060 0.000 0.648 56 V HN 0.610 nan 8.190 nan 0.000 0.447 57 F N 1.586 121.534 119.950 -0.004 0.000 2.069 57 F HA -0.234 4.293 4.527 -0.000 0.000 0.298 57 F C 2.465 178.270 175.800 0.008 0.000 1.113 57 F CA 2.461 60.459 58.000 -0.005 0.000 1.214 57 F CB -0.862 38.133 39.000 -0.008 0.000 0.978 57 F HN 0.131 nan 8.300 nan 0.000 0.474 58 T N -0.143 114.354 114.554 -0.095 0.000 2.684 58 T HA -0.275 4.075 4.350 0.000 0.000 0.267 58 T C 1.480 176.081 174.700 -0.164 0.000 1.036 58 T CA 1.823 63.812 62.100 -0.183 0.000 1.148 58 T CB -0.688 68.190 68.868 0.018 0.000 0.863 58 T HN 0.473 nan 8.240 nan 0.000 0.436 59 D N 0.831 121.186 120.400 -0.075 0.000 2.106 59 D HA -0.170 4.470 4.640 0.000 0.000 0.191 59 D C 2.174 178.444 176.300 -0.048 0.000 0.997 59 D CA 1.663 55.639 54.000 -0.040 0.000 0.834 59 D CB -0.177 40.612 40.800 -0.018 0.000 0.956 59 D HN 0.553 nan 8.370 nan 0.000 0.448 60 E N -1.224 118.921 120.200 -0.092 0.000 2.072 60 E HA -0.218 4.132 4.350 0.000 0.000 0.191 60 E C 2.007 178.554 176.600 -0.088 0.000 0.985 60 E CA 0.884 57.236 56.400 -0.079 0.000 0.801 60 E CB -0.152 29.492 29.700 -0.093 0.000 0.750 60 E HN 0.261 nan 8.360 nan 0.000 0.452 61 M N 0.748 120.176 119.600 -0.286 0.000 2.132 61 M HA -0.003 4.477 4.480 0.000 0.000 0.263 61 M C 2.005 178.267 176.300 -0.063 0.000 1.065 61 M CA 1.773 56.903 55.300 -0.282 0.000 1.122 61 M CB -0.335 31.818 32.600 -0.746 0.000 1.365 61 M HN 0.173 nan 8.290 nan 0.000 0.411 62 A N -1.369 121.403 122.820 -0.080 0.000 2.019 62 A HA -0.208 4.112 4.320 0.000 0.000 0.219 62 A C 2.280 179.867 177.584 0.005 0.000 1.164 62 A CA 1.786 53.808 52.037 -0.025 0.000 0.644 62 A CB -1.172 17.813 19.000 -0.024 0.000 0.805 62 A HN 0.728 nan 8.150 nan 0.000 0.449 63 H N -1.840 117.217 119.070 -0.022 0.000 2.343 63 H HA -0.084 4.472 4.556 0.000 0.000 0.303 63 H C 1.917 177.248 175.328 0.005 0.000 1.068 63 H CA 1.729 57.767 56.048 -0.017 0.000 1.359 63 H CB -0.359 29.392 29.762 -0.019 0.000 1.402 63 H HN 0.487 nan 8.280 nan 0.000 0.515 64 F N 2.381 122.342 119.950 0.018 0.000 2.120 64 F HA -0.229 4.298 4.527 -0.000 0.000 0.300 64 F C 1.859 177.611 175.800 -0.081 0.000 1.095 64 F CA 1.878 59.863 58.000 -0.025 0.000 1.249 64 F CB -0.390 38.590 39.000 -0.035 0.000 0.995 64 F HN 0.083 nan 8.300 nan 0.000 0.480 65 D N 0.182 120.557 120.400 -0.040 0.000 2.265 65 D HA -0.142 4.498 4.640 0.000 0.000 0.208 65 D C 1.577 177.744 176.300 -0.222 0.000 0.977 65 D CA 1.183 55.099 54.000 -0.141 0.000 0.871 65 D CB -0.228 40.557 40.800 -0.025 0.000 0.925 65 D HN 0.437 nan 8.370 nan 0.000 0.485 66 R N 0.026 120.370 120.500 -0.261 0.000 2.613 66 R HA 0.203 4.543 4.340 0.000 0.000 0.361 66 R C 1.055 177.157 176.300 -0.329 0.000 1.072 66 R CA -0.116 55.822 56.100 -0.270 0.000 1.089 66 R CB 0.544 30.689 30.300 -0.258 0.000 1.343 66 R HN 0.139 nan 8.270 nan 0.000 0.571 67 E N 0.881 120.865 120.200 -0.361 0.000 2.268 67 E HA -0.060 4.290 4.350 0.000 0.000 0.195 67 E C 0.226 176.672 176.600 -0.256 0.000 0.995 67 E CA 0.812 57.007 56.400 -0.342 0.000 0.836 67 E CB 0.298 29.800 29.700 -0.329 0.000 0.763 67 E HN 0.101 nan 8.360 nan 0.000 0.491 68 R N 1.033 121.428 120.500 -0.174 0.000 2.474 68 R HA 0.428 4.768 4.340 0.000 0.000 0.295 68 R C 0.384 176.688 176.300 0.006 0.000 0.980 68 R CA -0.424 55.647 56.100 -0.048 0.000 0.934 68 R CB 1.019 31.283 30.300 -0.060 0.000 1.101 68 R HN 0.080 nan 8.270 nan 0.000 0.469 69 I N -0.685 119.943 120.570 0.096 0.000 3.023 69 I HA 0.630 4.800 4.170 0.000 0.000 0.312 69 I C -2.073 174.064 176.117 0.033 0.000 1.056 69 I CA -2.732 58.603 61.300 0.058 0.000 1.033 69 I CB 1.802 39.863 38.000 0.103 0.000 1.233 69 I HN 0.300 nan 8.210 nan 0.000 0.462 70 P HA 0.178 nan 4.420 nan 0.000 0.279 70 P C -0.824 176.496 177.300 0.033 0.000 1.239 70 P CA -0.173 62.934 63.100 0.011 0.000 0.789 70 P CB 0.770 32.471 31.700 0.002 0.000 0.933 71 E N 3.043 123.276 120.200 0.054 0.000 2.410 71 E HA 0.115 4.465 4.350 0.000 0.000 0.255 71 E C -0.336 176.302 176.600 0.063 0.000 1.194 71 E CA -0.737 55.701 56.400 0.063 0.000 0.955 71 E CB 0.465 30.208 29.700 0.072 0.000 0.988 71 E HN 0.292 nan 8.360 nan 0.000 0.461 72 R N 0.489 121.032 120.500 0.072 0.000 2.570 72 R HA -0.020 4.320 4.340 0.000 0.000 0.277 72 R C 1.071 177.410 176.300 0.065 0.000 1.039 72 R CA -0.012 56.133 56.100 0.075 0.000 1.065 72 R CB 0.747 31.112 30.300 0.108 0.000 0.964 72 R HN 0.527 nan 8.270 nan 0.000 0.428 73 V N 3.989 123.930 119.914 0.045 0.000 2.453 73 V HA -0.144 3.976 4.120 0.000 0.000 0.252 73 V C 0.571 176.689 176.094 0.039 0.000 1.068 73 V CA 1.914 64.234 62.300 0.034 0.000 1.070 73 V CB 0.124 31.953 31.823 0.010 0.000 0.664 73 V HN 0.555 nan 8.190 nan 0.000 0.461 74 V N -4.649 115.314 119.914 0.082 0.000 3.114 74 V HA 0.581 4.701 4.120 0.000 0.000 0.308 74 V C 0.139 176.367 176.094 0.222 0.000 1.168 74 V CA -0.663 61.703 62.300 0.110 0.000 1.015 74 V CB 1.520 33.459 31.823 0.192 0.000 1.050 74 V HN 0.419 nan 8.190 nan 0.000 0.433 75 H N 0.627 119.746 119.070 0.081 0.000 2.862 75 H HA -0.212 4.344 4.556 0.000 0.000 0.290 75 H C 1.480 176.859 175.328 0.085 0.000 1.211 75 H CA 0.875 56.979 56.048 0.094 0.000 1.140 75 H CB -1.131 28.692 29.762 0.102 0.000 1.341 75 H HN 1.242 nan 8.280 nan 0.000 0.392 76 A N 0.445 123.352 122.820 0.146 0.000 1.930 76 A HA -0.092 4.228 4.320 0.000 0.000 0.217 76 A C 1.561 179.231 177.584 0.143 0.000 1.175 76 A CA 1.391 53.504 52.037 0.127 0.000 0.627 76 A CB 0.037 19.090 19.000 0.088 0.000 0.815 76 A HN 0.201 nan 8.150 nan 0.000 0.443 77 K N 0.572 121.055 120.400 0.138 0.000 2.316 77 K HA 0.492 4.812 4.320 0.000 0.000 0.289 77 K C 0.040 176.759 176.600 0.198 0.000 1.070 77 K CA 0.659 57.042 56.287 0.159 0.000 0.928 77 K CB 0.370 32.949 32.500 0.131 0.000 1.039 77 K HN 0.292 nan 8.250 nan 0.000 0.480 78 G N 1.273 110.219 108.800 0.243 0.000 2.766 78 G HA2 0.805 4.765 3.960 0.000 0.000 0.288 78 G HA3 0.805 4.765 3.960 0.000 0.000 0.288 78 G C -1.676 173.422 174.900 0.331 0.000 1.408 78 G CA -0.537 44.706 45.100 0.237 0.000 0.852 78 G HN 0.717 nan 8.290 nan 0.000 0.487 79 A N -1.316 121.647 122.820 0.238 0.000 2.515 79 A HA 0.957 5.277 4.320 0.000 0.000 0.298 79 A C -0.158 177.513 177.584 0.144 0.000 1.059 79 A CA -0.014 52.215 52.037 0.320 0.000 0.698 79 A CB 1.892 21.124 19.000 0.388 0.000 1.289 79 A HN 1.943 nan 8.150 nan 0.000 0.404 80 G N -0.632 108.264 108.800 0.160 0.000 2.574 80 G HA2 0.928 4.888 3.960 0.000 0.000 0.299 80 G HA3 0.928 4.888 3.960 0.000 0.000 0.299 80 G C -0.681 174.213 174.900 -0.010 0.000 1.298 80 G CA -0.006 45.055 45.100 -0.065 0.000 0.952 80 G HN 2.031 nan 8.290 nan 0.000 0.477 81 A N -0.192 122.450 122.820 -0.297 0.000 2.601 81 A HA 0.868 5.188 4.320 0.000 0.000 0.291 81 A C -1.934 175.331 177.584 -0.532 0.000 1.075 81 A CA -0.698 51.263 52.037 -0.125 0.000 0.671 81 A CB 1.077 20.124 19.000 0.077 0.000 1.277 81 A HN 0.768 nan 8.150 nan 0.000 0.417 82 F N -0.571 119.387 119.950 0.014 0.000 2.620 82 F HA 0.912 5.439 4.527 -0.000 0.000 0.320 82 F C 0.956 176.757 175.800 0.000 0.000 1.069 82 F CA 0.275 58.278 58.000 0.004 0.000 0.953 82 F CB 2.301 41.307 39.000 0.010 0.000 1.322 82 F HN 1.232 nan 8.300 nan 0.000 0.479 83 G N -0.036 108.883 108.800 0.199 0.000 2.586 83 G HA2 0.432 4.392 3.960 0.000 0.000 0.105 83 G HA3 0.432 4.392 3.960 0.000 0.000 0.105 83 G C -2.057 172.973 174.900 0.217 0.000 1.129 83 G CA -0.107 45.081 45.100 0.146 0.000 1.127 83 G HN 0.940 nan 8.290 nan 0.000 0.532 84 Y N -1.645 118.682 120.300 0.044 0.000 2.656 84 Y HA 0.805 5.355 4.550 0.000 0.000 0.334 84 Y C -1.742 174.212 175.900 0.090 0.000 1.179 84 Y CA -1.999 56.133 58.100 0.053 0.000 1.050 84 Y CB 1.549 40.033 38.460 0.041 0.000 1.308 84 Y HN 0.851 nan 8.280 nan 0.000 0.456 85 F N 2.165 122.160 119.950 0.075 0.000 2.444 85 F HA 0.615 5.142 4.527 0.000 0.000 0.342 85 F C -0.777 175.147 175.800 0.208 0.000 1.121 85 F CA -0.728 57.297 58.000 0.041 0.000 0.997 85 F CB 1.647 40.686 39.000 0.066 0.000 1.130 85 F HN 0.748 nan 8.300 nan 0.000 0.454 86 E N 5.776 125.609 120.200 -0.611 0.000 2.199 86 E HA 0.472 4.822 4.350 0.000 0.000 0.265 86 E C -1.546 174.615 176.600 -0.731 0.000 0.882 86 E CA -0.883 55.245 56.400 -0.454 0.000 0.759 86 E CB 1.928 31.630 29.700 0.004 0.000 1.148 86 E HN 0.565 nan 8.360 nan 0.000 0.412 87 V N 4.087 123.666 119.914 -0.559 0.000 2.572 87 V HA 0.048 4.168 4.120 0.000 0.000 0.291 87 V C 1.285 177.340 176.094 -0.065 0.000 1.039 87 V CA 0.877 63.022 62.300 -0.258 0.000 1.055 87 V CB 1.022 32.816 31.823 -0.049 0.000 0.969 87 V HN 0.972 nan 8.190 nan 0.000 0.482 88 T N 0.432 115.030 114.554 0.073 0.000 2.964 88 T HA 0.231 4.581 4.350 0.000 0.000 0.249 88 T C 0.409 175.130 174.700 0.035 0.000 1.000 88 T CA 0.083 62.247 62.100 0.107 0.000 0.992 88 T CB 0.145 69.162 68.868 0.248 0.000 1.087 88 T HN 0.639 nan 8.240 nan 0.000 0.489 89 H N 0.720 119.829 119.070 0.066 0.000 2.747 89 H HA 0.636 5.192 4.556 0.000 0.000 0.371 89 H C -1.267 174.106 175.328 0.076 0.000 1.161 89 H CA -1.134 54.958 56.048 0.073 0.000 1.167 89 H CB 1.297 31.111 29.762 0.086 0.000 1.732 89 H HN 0.043 nan 8.280 nan 0.000 0.544 90 D N 2.222 122.720 120.400 0.163 0.000 2.316 90 D HA 0.093 4.733 4.640 0.000 0.000 0.245 90 D C 0.406 176.756 176.300 0.082 0.000 1.171 90 D CA -0.158 53.903 54.000 0.102 0.000 0.856 90 D CB 0.497 41.330 40.800 0.056 0.000 1.090 90 D HN 0.675 nan 8.370 nan 0.000 0.476 91 I N 1.056 121.659 120.570 0.055 0.000 3.658 91 I HA 0.141 4.311 4.170 0.000 0.000 0.328 91 I C 1.401 177.506 176.117 -0.020 0.000 1.567 91 I CA -0.496 60.821 61.300 0.029 0.000 1.078 91 I CB 0.331 38.355 38.000 0.040 0.000 1.267 91 I HN 0.132 nan 8.210 nan 0.000 0.495 92 T N -0.810 113.736 114.554 -0.013 0.000 2.929 92 T HA -0.158 4.192 4.350 0.000 0.000 0.271 92 T C 1.710 176.367 174.700 -0.071 0.000 1.085 92 T CA 1.550 63.648 62.100 -0.002 0.000 1.125 92 T CB -0.385 68.492 68.868 0.015 0.000 0.874 92 T HN 0.696 nan 8.240 nan 0.000 0.494 93 K N 0.046 120.332 120.400 -0.190 0.000 2.147 93 K HA -0.144 4.176 4.320 0.000 0.000 0.205 93 K C 1.561 177.987 176.600 -0.291 0.000 1.049 93 K CA 1.316 57.425 56.287 -0.297 0.000 0.936 93 K CB -0.506 31.712 32.500 -0.469 0.000 0.722 93 K HN 0.429 nan 8.250 nan 0.000 0.446 94 Y N 1.118 121.405 120.300 -0.022 0.000 2.343 94 Y HA 0.193 4.743 4.550 0.000 0.000 0.294 94 Y C 1.207 177.090 175.900 -0.028 0.000 1.122 94 Y CA 0.054 58.137 58.100 -0.027 0.000 1.173 94 Y CB 0.295 38.742 38.460 -0.021 0.000 1.077 94 Y HN 0.015 nan 8.280 nan 0.000 0.542 95 S N 0.420 116.198 115.700 0.131 0.000 2.532 95 S HA 0.304 4.774 4.470 0.000 0.000 0.299 95 S C 0.279 174.942 174.600 0.106 0.000 1.105 95 S CA -0.900 57.367 58.200 0.111 0.000 1.018 95 S CB 0.899 64.197 63.200 0.164 0.000 1.021 95 S HN 0.394 nan 8.310 nan 0.000 0.483 96 K N 2.896 123.329 120.400 0.054 0.000 2.458 96 K HA 0.389 4.709 4.320 0.000 0.000 0.194 96 K C 0.606 177.215 176.600 0.015 0.000 1.024 96 K CA -0.087 56.218 56.287 0.031 0.000 1.108 96 K CB -0.023 32.473 32.500 -0.007 0.000 0.846 96 K HN 0.501 nan 8.250 nan 0.000 0.518 97 A N 2.257 125.092 122.820 0.025 0.000 2.546 97 A HA 0.019 4.339 4.320 0.000 0.000 0.243 97 A C 0.689 178.177 177.584 -0.160 0.000 1.063 97 A CA -0.138 51.808 52.037 -0.153 0.000 0.757 97 A CB 0.292 19.062 19.000 -0.383 0.000 0.991 97 A HN 0.388 nan 8.150 nan 0.000 0.503 98 K N 2.080 122.365 120.400 -0.191 0.000 2.103 98 K HA -0.130 4.190 4.320 0.000 0.000 0.207 98 K C 1.704 178.193 176.600 -0.184 0.000 1.048 98 K CA 1.348 57.553 56.287 -0.137 0.000 0.930 98 K CB -0.282 32.152 32.500 -0.111 0.000 0.716 98 K HN 0.580 nan 8.250 nan 0.000 0.444 99 V N 0.823 120.516 119.914 -0.368 0.000 2.828 99 V HA -0.214 3.906 4.120 0.000 0.000 0.260 99 V C 1.153 177.112 176.094 -0.225 0.000 1.101 99 V CA 1.696 63.774 62.300 -0.369 0.000 1.123 99 V CB -0.350 31.059 31.823 -0.689 0.000 0.704 99 V HN 0.172 nan 8.190 nan 0.000 0.493 100 F N -0.255 119.675 119.950 -0.034 0.000 2.678 100 F HA 0.256 4.783 4.527 -0.000 0.000 0.291 100 F C 1.946 177.737 175.800 -0.016 0.000 1.123 100 F CA 0.142 58.154 58.000 0.021 0.000 1.395 100 F CB -0.780 38.226 39.000 0.009 0.000 1.121 100 F HN 0.160 nan 8.300 nan 0.000 0.592 101 E N 0.525 120.790 120.200 0.107 0.000 2.446 101 E HA -0.327 4.023 4.350 0.000 0.000 0.248 101 E C -0.017 176.651 176.600 0.113 0.000 1.081 101 E CA 2.478 58.920 56.400 0.071 0.000 1.143 101 E CB -0.300 29.415 29.700 0.026 0.000 1.012 101 E HN 0.662 nan 8.360 nan 0.000 0.487 102 H N -2.922 116.190 119.070 0.070 0.000 2.961 102 H HA 0.463 5.019 4.556 0.000 0.000 0.371 102 H C -0.642 174.712 175.328 0.043 0.000 1.190 102 H CA -0.934 55.142 56.048 0.046 0.000 1.138 102 H CB 0.463 30.237 29.762 0.021 0.000 1.816 102 H HN -0.000 nan 8.280 nan 0.000 0.551 103 I N 1.956 122.643 120.570 0.195 0.000 2.752 103 I HA 0.168 4.338 4.170 0.000 0.000 0.287 103 I C 1.385 177.598 176.117 0.160 0.000 1.188 103 I CA 1.653 63.020 61.300 0.112 0.000 1.427 103 I CB 0.535 38.571 38.000 0.061 0.000 1.365 103 I HN 1.144 nan 8.210 nan 0.000 0.585 104 G N 4.498 113.323 108.800 0.042 0.000 2.199 104 G HA2 -0.309 3.651 3.960 0.000 0.000 0.254 104 G HA3 -0.309 3.651 3.960 0.000 0.000 0.254 104 G C 0.459 175.362 174.900 0.006 0.000 0.982 104 G CA 0.084 45.208 45.100 0.041 0.000 0.632 104 G HN 0.655 nan 8.290 nan 0.000 0.529 105 K N 1.362 121.684 120.400 -0.130 0.000 2.412 105 K HA 0.366 4.686 4.320 0.000 0.000 0.284 105 K C 0.235 176.750 176.600 -0.142 0.000 1.046 105 K CA 0.013 56.154 56.287 -0.245 0.000 0.999 105 K CB 0.154 32.256 32.500 -0.664 0.000 0.941 105 K HN 0.266 nan 8.250 nan 0.000 0.474 106 K N 2.737 123.097 120.400 -0.067 0.000 2.159 106 K HA 0.246 4.566 4.320 0.000 0.000 0.266 106 K C -0.925 175.713 176.600 0.062 0.000 0.975 106 K CA -0.601 55.681 56.287 -0.008 0.000 0.865 106 K CB 1.917 34.355 32.500 -0.103 0.000 1.087 106 K HN 0.492 nan 8.250 nan 0.000 0.446 107 T N 4.399 119.067 114.554 0.190 0.000 2.890 107 T HA 0.266 4.616 4.350 0.000 0.000 0.295 107 T C -2.630 172.228 174.700 0.263 0.000 0.993 107 T CA -1.638 60.596 62.100 0.223 0.000 0.979 107 T CB 1.486 70.551 68.868 0.329 0.000 0.967 107 T HN 0.398 nan 8.240 nan 0.000 0.441 108 P HA 0.212 nan 4.420 nan 0.000 0.265 108 P C -0.528 176.935 177.300 0.272 0.000 1.193 108 P CA -0.206 63.051 63.100 0.261 0.000 0.765 108 P CB 0.447 32.285 31.700 0.228 0.000 0.823 109 I N -0.524 120.144 120.570 0.164 0.000 2.785 109 I HA 0.859 5.029 4.170 0.000 0.000 0.302 109 I C -1.225 174.917 176.117 0.042 0.000 1.069 109 I CA -1.611 59.643 61.300 -0.077 0.000 1.045 109 I CB 2.628 40.360 38.000 -0.447 0.000 1.236 109 I HN 0.259 nan 8.210 nan 0.000 0.429 110 A N 4.684 127.443 122.820 -0.101 0.000 2.355 110 A HA 0.850 5.170 4.320 0.000 0.000 0.317 110 A C -0.985 176.406 177.584 -0.322 0.000 1.094 110 A CA -0.592 51.326 52.037 -0.198 0.000 0.764 110 A CB 1.709 20.722 19.000 0.021 0.000 1.230 110 A HN 0.584 nan 8.150 nan 0.000 0.448 111 V N 1.702 121.320 119.914 -0.495 0.000 2.962 111 V HA 0.729 4.849 4.120 0.000 0.000 0.313 111 V C -0.135 175.632 176.094 -0.546 0.000 1.099 111 V CA -0.725 61.272 62.300 -0.505 0.000 0.971 111 V CB 2.174 33.594 31.823 -0.670 0.000 1.028 111 V HN 0.985 nan 8.190 nan 0.000 0.430 112 R N 2.050 122.178 120.500 -0.620 0.000 2.538 112 R HA 0.611 4.951 4.340 0.000 0.000 0.292 112 R C -2.087 173.788 176.300 -0.708 0.000 1.008 112 R CA -0.404 55.397 56.100 -0.498 0.000 0.896 112 R CB 1.337 31.570 30.300 -0.113 0.000 1.187 112 R HN 0.513 nan 8.270 nan 0.000 0.440 113 F N 1.860 121.583 119.950 -0.379 0.000 2.425 113 F HA 0.608 5.135 4.527 -0.000 0.000 0.331 113 F C 0.308 175.926 175.800 -0.304 0.000 1.085 113 F CA -0.137 57.539 58.000 -0.540 0.000 1.028 113 F CB 2.243 40.524 39.000 -1.199 0.000 1.177 113 F HN 0.638 nan 8.300 nan 0.000 0.487 114 S N -1.022 114.732 115.700 0.090 0.000 2.587 114 S HA 0.658 5.128 4.470 0.000 0.000 0.269 114 S C -0.531 174.238 174.600 0.283 0.000 1.154 114 S CA -0.712 57.615 58.200 0.213 0.000 0.824 114 S CB 1.363 64.723 63.200 0.266 0.000 1.118 114 S HN 0.719 nan 8.310 nan 0.000 0.462 115 T N -1.262 113.422 114.554 0.216 0.000 2.973 115 T HA 0.732 5.082 4.350 0.000 0.000 0.308 115 T C 0.846 175.504 174.700 -0.069 0.000 1.177 115 T CA 0.192 62.369 62.100 0.127 0.000 0.938 115 T CB -0.006 68.924 68.868 0.104 0.000 1.791 115 T HN 0.806 nan 8.240 nan 0.000 0.581 116 V N -0.487 119.339 119.914 -0.147 0.000 3.278 116 V HA 0.385 4.505 4.120 0.000 0.000 0.215 116 V C 2.799 178.779 176.094 -0.190 0.000 1.287 116 V CA 0.468 62.559 62.300 -0.349 0.000 1.302 116 V CB -0.980 30.685 31.823 -0.263 0.000 1.228 116 V HN 0.968 nan 8.190 nan 0.000 0.523 117 A N 0.958 123.694 122.820 -0.140 0.000 1.854 117 A HA 0.270 4.590 4.320 0.000 0.000 0.214 117 A C 1.674 179.199 177.584 -0.099 0.000 1.192 117 A CA 1.275 53.222 52.037 -0.150 0.000 0.611 117 A CB -1.302 17.596 19.000 -0.171 0.000 0.832 117 A HN 0.662 nan 8.150 nan 0.000 0.442 118 G N 0.914 109.677 108.800 -0.060 0.000 2.568 118 G HA2 0.341 4.301 3.960 0.000 0.000 0.231 118 G HA3 0.341 4.301 3.960 0.000 0.000 0.231 118 G C 0.081 174.975 174.900 -0.009 0.000 1.261 118 G CA 0.157 45.238 45.100 -0.032 0.000 0.855 118 G HN 0.613 nan 8.290 nan 0.000 0.576 119 E N 0.672 120.871 120.200 -0.001 0.000 2.284 119 E HA 0.281 4.631 4.350 0.000 0.000 0.255 119 E C 1.266 177.893 176.600 0.046 0.000 1.052 119 E CA -0.552 55.861 56.400 0.023 0.000 0.904 119 E CB 0.435 30.146 29.700 0.018 0.000 1.217 119 E HN 0.251 nan 8.360 nan 0.000 0.438 120 S N -0.111 115.626 115.700 0.062 0.000 2.443 120 S HA -0.193 4.277 4.470 0.000 0.000 0.246 120 S C 1.356 175.992 174.600 0.061 0.000 1.058 120 S CA 1.903 60.148 58.200 0.075 0.000 1.028 120 S CB -0.369 62.880 63.200 0.081 0.000 0.821 120 S HN 0.750 nan 8.310 nan 0.000 0.484 121 G N 0.500 109.327 108.800 0.046 0.000 3.453 121 G HA2 0.324 4.284 3.960 0.000 0.000 0.263 121 G HA3 0.324 4.284 3.960 0.000 0.000 0.263 121 G C 0.196 175.116 174.900 0.034 0.000 1.060 121 G CA 0.103 45.225 45.100 0.037 0.000 0.793 121 G HN 0.534 nan 8.290 nan 0.000 0.532 122 S N 0.062 115.783 115.700 0.036 0.000 2.600 122 S HA 0.681 5.151 4.470 0.000 0.000 0.265 122 S C 0.567 175.193 174.600 0.043 0.000 1.325 122 S CA -0.053 58.164 58.200 0.029 0.000 1.002 122 S CB 1.703 64.916 63.200 0.021 0.000 0.921 122 S HN 0.632 nan 8.310 nan 0.000 0.554 123 A N 0.583 123.425 122.820 0.037 0.000 2.371 123 A HA 0.375 4.695 4.320 0.000 0.000 0.257 123 A C 0.640 178.263 177.584 0.065 0.000 1.089 123 A CA -0.548 51.517 52.037 0.047 0.000 0.794 123 A CB -0.106 18.912 19.000 0.029 0.000 1.029 123 A HN 0.869 nan 8.150 nan 0.000 0.488 124 D N 0.296 120.749 120.400 0.087 0.000 2.137 124 D HA -0.035 4.605 4.640 0.000 0.000 0.202 124 D C 1.292 177.640 176.300 0.080 0.000 0.970 124 D CA 2.099 56.170 54.000 0.117 0.000 0.837 124 D CB -0.127 40.770 40.800 0.161 0.000 0.981 124 D HN 0.659 nan 8.370 nan 0.000 0.475 125 T N 0.011 114.579 114.554 0.024 0.000 3.945 125 T HA 0.421 4.771 4.350 0.000 0.000 0.306 125 T C 0.174 174.866 174.700 -0.013 0.000 1.475 125 T CA -0.617 61.462 62.100 -0.035 0.000 1.177 125 T CB -0.703 68.065 68.868 -0.167 0.000 1.272 125 T HN -0.071 nan 8.240 nan 0.000 0.930 126 V N -0.630 119.297 119.914 0.022 0.000 3.040 126 V HA 0.658 4.778 4.120 0.000 0.000 0.312 126 V C 0.013 176.129 176.094 0.037 0.000 1.115 126 V CA -1.892 60.423 62.300 0.025 0.000 0.998 126 V CB 1.866 33.706 31.823 0.028 0.000 1.042 126 V HN 0.613 nan 8.190 nan 0.000 0.433 127 R N 1.413 121.930 120.500 0.028 0.000 2.401 127 R HA 0.516 4.856 4.340 0.000 0.000 0.299 127 R C -1.018 175.299 176.300 0.027 0.000 1.064 127 R CA 0.559 56.663 56.100 0.007 0.000 1.000 127 R CB 0.090 30.354 30.300 -0.059 0.000 0.973 127 R HN 1.026 nan 8.270 nan 0.000 0.438 128 D N 3.097 123.537 120.400 0.067 0.000 2.983 128 D HA 0.181 4.821 4.640 0.000 0.000 0.269 128 D C -2.784 173.627 176.300 0.185 0.000 1.121 128 D CA -0.757 53.313 54.000 0.116 0.000 0.724 128 D CB 1.421 42.267 40.800 0.078 0.000 1.381 128 D HN 0.213 nan 8.370 nan 0.000 0.442 129 P HA 0.415 nan 4.420 nan 0.000 0.282 129 P C -0.863 176.600 177.300 0.272 0.000 1.286 129 P CA -0.366 62.910 63.100 0.293 0.000 0.777 129 P CB 0.481 32.414 31.700 0.389 0.000 1.184 130 R N -0.248 120.439 120.500 0.310 0.000 2.514 130 R HA 0.471 4.811 4.340 0.000 0.000 0.296 130 R C -0.153 176.365 176.300 0.363 0.000 1.012 130 R CA -0.602 55.694 56.100 0.327 0.000 0.897 130 R CB 1.498 31.990 30.300 0.320 0.000 1.184 130 R HN 0.623 nan 8.270 nan 0.000 0.440 131 G N 1.548 110.585 108.800 0.396 0.000 2.403 131 G HA2 0.334 4.294 3.960 0.000 0.000 0.259 131 G HA3 0.334 4.294 3.960 0.000 0.000 0.259 131 G C -0.866 174.133 174.900 0.164 0.000 1.244 131 G CA 0.024 45.255 45.100 0.219 0.000 0.849 131 G HN 0.399 nan 8.290 nan 0.000 0.532 132 F N 2.765 122.655 119.950 -0.100 0.000 2.710 132 F HA 0.582 5.109 4.527 -0.000 0.000 0.345 132 F C 0.365 175.930 175.800 -0.391 0.000 1.362 132 F CA -1.761 56.141 58.000 -0.163 0.000 1.175 132 F CB 0.527 39.554 39.000 0.044 0.000 1.561 132 F HN 0.640 nan 8.300 nan 0.000 0.593 133 A N 2.545 125.108 122.820 -0.427 0.000 2.366 133 A HA 0.720 5.040 4.320 0.000 0.000 0.272 133 A C -0.959 176.136 177.584 -0.816 0.000 1.135 133 A CA -0.326 51.179 52.037 -0.888 0.000 0.804 133 A CB 0.647 18.532 19.000 -1.859 0.000 1.064 133 A HN 0.294 nan 8.150 nan 0.000 0.499 134 V N 3.106 122.651 119.914 -0.616 0.000 2.531 134 V HA 0.423 4.543 4.120 0.000 0.000 0.301 134 V C -0.008 175.841 176.094 -0.408 0.000 1.034 134 V CA -0.724 61.252 62.300 -0.541 0.000 0.865 134 V CB 1.673 33.014 31.823 -0.804 0.000 0.995 134 V HN 0.927 nan 8.190 nan 0.000 0.424 135 K N 4.140 124.340 120.400 -0.334 0.000 2.307 135 K HA 0.600 4.920 4.320 0.000 0.000 0.263 135 K C -1.713 174.481 176.600 -0.675 0.000 0.973 135 K CA -0.489 55.544 56.287 -0.424 0.000 0.846 135 K CB 0.919 33.098 32.500 -0.535 0.000 1.100 135 K HN 0.471 nan 8.250 nan 0.000 0.438 136 F N 4.312 123.938 119.950 -0.541 0.000 2.361 136 F HA 0.269 4.796 4.527 -0.000 0.000 0.364 136 F C -0.516 175.081 175.800 -0.339 0.000 1.117 136 F CA -0.701 57.086 58.000 -0.356 0.000 1.071 136 F CB 0.667 39.535 39.000 -0.220 0.000 1.188 136 F HN 0.407 nan 8.300 nan 0.000 0.464 137 Y N 1.685 121.963 120.300 -0.037 0.000 2.594 137 Y HA 0.246 4.795 4.550 -0.000 0.000 0.344 137 Y C 1.082 176.888 175.900 -0.158 0.000 1.185 137 Y CA -0.760 57.225 58.100 -0.191 0.000 1.565 137 Y CB -0.266 37.896 38.460 -0.496 0.000 1.415 137 Y HN 0.551 nan 8.280 nan 0.000 0.488 138 T N -2.034 112.522 114.554 0.003 0.000 2.902 138 T HA 0.226 4.576 4.350 0.000 0.000 0.280 138 T C 0.967 175.631 174.700 -0.060 0.000 0.992 138 T CA -0.756 61.325 62.100 -0.031 0.000 1.015 138 T CB 1.265 70.090 68.868 -0.072 0.000 1.044 138 T HN 0.539 nan 8.240 nan 0.000 0.520 139 E N 0.238 120.401 120.200 -0.062 0.000 2.265 139 E HA -0.026 4.324 4.350 0.000 0.000 0.196 139 E C 0.763 177.329 176.600 -0.057 0.000 0.996 139 E CA 0.839 57.206 56.400 -0.055 0.000 0.832 139 E CB -0.043 29.632 29.700 -0.042 0.000 0.756 139 E HN 0.596 nan 8.360 nan 0.000 0.491 140 D N 0.049 120.406 120.400 -0.073 0.000 2.434 140 D HA 0.242 4.882 4.640 0.000 0.000 0.232 140 D C 0.259 176.519 176.300 -0.067 0.000 1.166 140 D CA 0.639 54.595 54.000 -0.074 0.000 0.830 140 D CB 0.046 40.786 40.800 -0.099 0.000 0.960 140 D HN 0.194 nan 8.370 nan 0.000 0.497 141 G N 0.518 109.284 108.800 -0.056 0.000 2.710 141 G HA2 -0.224 3.736 3.960 0.000 0.000 0.668 141 G HA3 -0.224 3.736 3.960 0.000 0.000 0.668 141 G C -0.394 174.482 174.900 -0.041 0.000 1.320 141 G CA -1.076 43.997 45.100 -0.045 0.000 0.860 141 G HN 0.142 nan 8.290 nan 0.000 0.538 142 N N -0.534 118.138 118.700 -0.047 0.000 2.518 142 N HA 0.451 5.191 4.740 0.000 0.000 0.266 142 N C -0.568 174.950 175.510 0.013 0.000 1.196 142 N CA 0.127 53.131 53.050 -0.078 0.000 0.947 142 N CB 0.982 39.372 38.487 -0.161 0.000 1.098 142 N HN 0.702 nan 8.380 nan 0.000 0.450 143 W N 2.870 124.054 121.300 -0.193 0.000 2.424 143 W HA 0.352 5.012 4.660 0.000 0.000 0.318 143 W C -1.436 175.012 176.519 -0.118 0.000 1.016 143 W CA -0.864 56.349 57.345 -0.221 0.000 1.268 143 W CB 0.591 29.805 29.460 -0.411 0.000 1.297 143 W HN 0.317 nan 8.180 nan 0.000 0.428 144 D N 5.604 125.846 120.400 -0.262 0.000 2.233 144 D HA 0.244 4.884 4.640 0.000 0.000 0.240 144 D C -1.060 174.904 176.300 -0.559 0.000 1.074 144 D CA -0.374 53.434 54.000 -0.320 0.000 0.838 144 D CB 2.160 42.916 40.800 -0.074 0.000 1.124 144 D HN 0.330 nan 8.370 nan 0.000 0.475 145 L N 3.871 124.694 121.223 -0.666 0.000 2.313 145 L HA 0.234 4.574 4.340 0.000 0.000 0.273 145 L C -0.896 175.732 176.870 -0.402 0.000 1.028 145 L CA -0.709 53.756 54.840 -0.624 0.000 0.871 145 L CB 1.259 42.809 42.059 -0.849 0.000 1.242 145 L HN 0.089 nan 8.230 nan 0.000 0.434 146 V N 5.453 125.187 119.914 -0.301 0.000 2.299 146 V HA 0.694 4.814 4.120 0.000 0.000 0.255 146 V C 0.868 176.839 176.094 -0.205 0.000 1.100 146 V CA 0.064 62.162 62.300 -0.336 0.000 0.938 146 V CB -0.111 31.488 31.823 -0.373 0.000 1.139 146 V HN 0.810 nan 8.190 nan 0.000 0.490 147 G N 4.040 112.736 108.800 -0.173 0.000 3.211 147 G HA2 0.778 4.738 3.960 0.000 0.000 0.262 147 G HA3 0.778 4.738 3.960 0.000 0.000 0.262 147 G C -0.907 173.979 174.900 -0.025 0.000 1.352 147 G CA -0.671 44.377 45.100 -0.085 0.000 1.004 147 G HN 0.691 nan 8.290 nan 0.000 0.559 148 N N -2.329 116.382 118.700 0.019 0.000 3.316 148 N HA 0.200 4.940 4.740 0.000 0.000 0.300 148 N C -0.033 175.587 175.510 0.184 0.000 1.567 148 N CA -0.730 52.410 53.050 0.149 0.000 0.821 148 N CB 0.431 39.021 38.487 0.172 0.000 1.748 148 N HN 0.373 nan 8.380 nan 0.000 0.603 149 N N -1.383 117.476 118.700 0.266 0.000 2.421 149 N HA 0.039 4.779 4.740 0.000 0.000 0.201 149 N C -0.654 174.969 175.510 0.189 0.000 1.198 149 N CA 0.113 53.364 53.050 0.335 0.000 0.838 149 N CB -0.332 38.389 38.487 0.390 0.000 1.011 149 N HN 0.666 nan 8.380 nan 0.000 0.463 150 T N -0.442 114.027 114.554 -0.142 0.000 2.933 150 T HA 0.349 4.699 4.350 0.000 0.000 0.305 150 T C -2.466 171.669 174.700 -0.942 0.000 1.092 150 T CA -1.629 59.959 62.100 -0.853 0.000 1.008 150 T CB 2.401 70.624 68.868 -1.074 0.000 1.102 150 T HN -0.204 nan 8.240 nan 0.000 0.469 151 P HA 0.174 nan 4.420 nan 0.000 0.231 151 P C 0.552 177.462 177.300 -0.651 0.000 1.168 151 P CA 0.396 62.888 63.100 -1.013 0.000 0.779 151 P CB -0.057 31.053 31.700 -0.983 0.000 0.844 152 I N -6.158 114.004 120.570 -0.679 0.000 3.206 152 I HA 0.682 4.852 4.170 0.000 0.000 0.313 152 I C -0.570 175.324 176.117 -0.371 0.000 1.103 152 I CA -1.472 59.516 61.300 -0.521 0.000 0.985 152 I CB 1.546 39.141 38.000 -0.676 0.000 1.240 152 I HN -0.312 nan 8.210 nan 0.000 0.464 153 F N -0.011 119.660 119.950 -0.466 0.000 2.764 153 F HA 0.557 5.084 4.527 -0.000 0.000 0.347 153 F C 0.025 175.559 175.800 -0.443 0.000 1.151 153 F CA -1.186 56.562 58.000 -0.420 0.000 1.021 153 F CB 1.571 40.470 39.000 -0.167 0.000 1.438 153 F HN 0.409 nan 8.300 nan 0.000 0.516 154 F N 1.621 120.921 119.950 -1.083 0.000 2.367 154 F HA 0.178 4.705 4.527 0.000 0.000 0.298 154 F C 0.657 176.241 175.800 -0.360 0.000 1.094 154 F CA 0.802 58.337 58.000 -0.774 0.000 1.409 154 F CB -0.140 38.163 39.000 -1.162 0.000 1.064 154 F HN 0.114 nan 8.300 nan 0.000 0.528 155 I N -1.909 118.694 120.570 0.056 0.000 3.145 155 I HA 0.492 4.662 4.170 0.000 0.000 0.313 155 I C 0.220 176.458 176.117 0.202 0.000 1.122 155 I CA -1.174 60.221 61.300 0.160 0.000 0.987 155 I CB 2.403 40.554 38.000 0.251 0.000 1.236 155 I HN -0.059 nan 8.210 nan 0.000 0.453 156 R N 0.212 120.800 120.500 0.147 0.000 2.596 156 R HA 0.425 4.765 4.340 0.000 0.000 0.369 156 R C -0.799 175.573 176.300 0.121 0.000 1.042 156 R CA -0.368 55.806 56.100 0.124 0.000 1.120 156 R CB 0.277 30.625 30.300 0.080 0.000 1.353 156 R HN 0.685 nan 8.270 nan 0.000 0.564 157 D N 1.350 121.839 120.400 0.149 0.000 2.855 157 D HA 0.161 4.801 4.640 0.000 0.000 0.241 157 D C -1.901 174.496 176.300 0.162 0.000 1.277 157 D CA -2.103 51.973 54.000 0.127 0.000 0.918 157 D CB 2.553 43.422 40.800 0.115 0.000 1.462 157 D HN -0.169 nan 8.370 nan 0.000 0.559 158 P HA -0.152 nan 4.420 nan 0.000 0.216 158 P C 1.824 179.234 177.300 0.183 0.000 1.150 158 P CA 0.585 63.766 63.100 0.135 0.000 0.843 158 P CB 0.616 32.349 31.700 0.055 0.000 0.787 159 I N -1.378 119.273 120.570 0.135 0.000 2.800 159 I HA -0.191 3.979 4.170 0.000 0.000 0.266 159 I C 1.449 177.657 176.117 0.153 0.000 1.249 159 I CA 0.921 62.294 61.300 0.121 0.000 1.458 159 I CB -0.085 37.963 38.000 0.081 0.000 1.093 159 I HN -0.131 nan 8.210 nan 0.000 0.466 160 L N -1.152 120.202 121.223 0.218 0.000 2.640 160 L HA 0.075 4.415 4.340 0.000 0.000 0.230 160 L C 1.453 178.479 176.870 0.261 0.000 1.123 160 L CA 0.418 55.411 54.840 0.255 0.000 0.900 160 L CB -0.416 41.853 42.059 0.351 0.000 1.146 160 L HN 0.115 nan 8.230 nan 0.000 0.484 161 F N 1.925 121.963 119.950 0.147 0.000 2.102 161 F HA -0.102 4.425 4.527 0.000 0.000 0.298 161 F C -0.460 175.350 175.800 0.017 0.000 1.105 161 F CA 1.523 59.631 58.000 0.180 0.000 1.239 161 F CB -0.819 38.276 39.000 0.158 0.000 0.991 161 F HN 0.127 nan 8.300 nan 0.000 0.474 162 P HA -0.158 nan 4.420 nan 0.000 0.215 162 P C 1.816 178.687 177.300 -0.715 0.000 1.157 162 P CA 2.367 65.224 63.100 -0.404 0.000 0.868 162 P CB -0.066 31.474 31.700 -0.266 0.000 0.788 163 S N -1.209 114.208 115.700 -0.471 0.000 2.368 163 S HA -0.175 4.295 4.470 0.000 0.000 0.225 163 S C 1.647 175.779 174.600 -0.779 0.000 1.030 163 S CA 1.064 58.984 58.200 -0.466 0.000 0.999 163 S CB -1.212 61.884 63.200 -0.173 0.000 0.844 163 S HN 0.121 nan 8.310 nan 0.000 0.459 164 F N 2.826 122.183 119.950 -0.989 0.000 2.095 164 F HA -0.128 4.399 4.527 0.000 0.000 0.298 164 F C 1.815 177.095 175.800 -0.866 0.000 1.104 164 F CA 1.086 58.352 58.000 -1.223 0.000 1.232 164 F CB -0.517 38.090 39.000 -0.656 0.000 0.987 164 F HN 0.070 nan 8.300 nan 0.000 0.475 165 I N 0.518 120.401 120.570 -1.145 0.000 2.179 165 I HA -0.303 3.867 4.170 0.000 0.000 0.242 165 I C 2.566 178.303 176.117 -0.635 0.000 1.088 165 I CA 1.655 62.352 61.300 -1.005 0.000 1.357 165 I CB -1.832 35.715 38.000 -0.756 0.000 1.051 165 I HN 0.327 nan 8.210 nan 0.000 0.409 166 H N 0.829 119.561 119.070 -0.564 0.000 2.289 166 H HA -0.190 4.366 4.556 0.000 0.000 0.296 166 H C 2.507 177.558 175.328 -0.462 0.000 1.091 166 H CA 1.828 57.629 56.048 -0.413 0.000 1.274 166 H CB 0.029 29.607 29.762 -0.306 0.000 1.364 166 H HN 0.399 nan 8.280 nan 0.000 0.490 167 S N 0.631 116.062 115.700 -0.448 0.000 2.402 167 S HA -0.199 4.271 4.470 0.000 0.000 0.233 167 S C 1.889 176.153 174.600 -0.559 0.000 1.030 167 S CA 1.145 59.055 58.200 -0.483 0.000 1.003 167 S CB -0.088 62.755 63.200 -0.596 0.000 0.813 167 S HN 0.401 nan 8.310 nan 0.000 0.477 168 Q N 0.791 120.156 119.800 -0.725 0.000 2.269 168 Q HA 0.200 4.540 4.340 0.000 0.000 0.201 168 Q C 1.065 176.812 176.000 -0.420 0.000 0.946 168 Q CA 0.670 56.075 55.803 -0.664 0.000 0.877 168 Q CB -0.027 28.184 28.738 -0.878 0.000 0.963 168 Q HN 0.567 nan 8.270 nan 0.000 0.472 169 K N 0.883 121.066 120.400 -0.361 0.000 2.976 169 K HA 0.242 4.562 4.320 0.000 0.000 0.335 169 K C 0.615 177.073 176.600 -0.236 0.000 0.990 169 K CA -0.290 55.840 56.287 -0.262 0.000 1.231 169 K CB -0.013 32.356 32.500 -0.219 0.000 1.331 169 K HN -0.043 nan 8.250 nan 0.000 0.556 170 R N 1.546 121.909 120.500 -0.229 0.000 2.500 170 R HA 0.151 4.491 4.340 0.000 0.000 0.277 170 R C 0.478 176.679 176.300 -0.165 0.000 1.026 170 R CA -0.630 55.332 56.100 -0.230 0.000 1.058 170 R CB 0.417 30.492 30.300 -0.375 0.000 1.078 170 R HN 0.458 nan 8.270 nan 0.000 0.509 171 N N 2.367 120.993 118.700 -0.123 0.000 2.454 171 N HA -0.020 4.720 4.740 0.000 0.000 0.260 171 N C -1.796 173.685 175.510 -0.049 0.000 1.218 171 N CA -1.090 51.912 53.050 -0.080 0.000 0.904 171 N CB 1.078 39.535 38.487 -0.051 0.000 1.065 171 N HN 0.269 nan 8.380 nan 0.000 0.462 172 P HA -0.133 nan 4.420 nan 0.000 0.223 172 P C 0.712 178.001 177.300 -0.019 0.000 1.144 172 P CA 1.267 64.333 63.100 -0.056 0.000 0.783 172 P CB 0.343 31.993 31.700 -0.083 0.000 0.771 173 Q N -1.110 118.685 119.800 -0.009 0.000 2.622 173 Q HA -0.037 4.303 4.340 0.000 0.000 0.208 173 Q C 1.931 177.944 176.000 0.021 0.000 0.911 173 Q CA 1.200 57.002 55.803 -0.001 0.000 0.893 173 Q CB -0.508 28.226 28.738 -0.007 0.000 1.124 173 Q HN 0.128 nan 8.270 nan 0.000 0.634 174 T N -2.143 112.424 114.554 0.021 0.000 2.881 174 T HA -0.174 4.176 4.350 0.000 0.000 0.270 174 T C 0.517 175.277 174.700 0.099 0.000 1.068 174 T CA 1.483 63.604 62.100 0.035 0.000 1.131 174 T CB -0.416 68.458 68.868 0.010 0.000 0.871 174 T HN 0.703 nan 8.240 nan 0.000 0.479 175 H N -0.028 119.012 119.070 -0.049 0.000 2.903 175 H HA -0.096 4.460 4.556 -0.000 0.000 0.285 175 H C -0.704 174.594 175.328 -0.050 0.000 1.231 175 H CA 0.373 56.388 56.048 -0.054 0.000 1.135 175 H CB -2.215 27.520 29.762 -0.045 0.000 1.328 175 H HN 0.565 nan 8.280 nan 0.000 0.388 176 L N 0.087 121.261 121.223 -0.081 0.000 2.303 176 L HA 0.448 4.788 4.340 0.000 0.000 0.266 176 L C 0.639 177.434 176.870 -0.124 0.000 1.011 176 L CA -1.420 53.360 54.840 -0.101 0.000 0.818 176 L CB 1.168 43.199 42.059 -0.047 0.000 1.326 176 L HN -0.085 nan 8.230 nan 0.000 0.435 177 K N 1.379 121.708 120.400 -0.118 0.000 2.401 177 K HA 0.080 4.400 4.320 0.000 0.000 0.278 177 K C -0.843 175.708 176.600 -0.083 0.000 1.018 177 K CA 0.140 56.359 56.287 -0.113 0.000 0.981 177 K CB 0.471 32.911 32.500 -0.099 0.000 0.933 177 K HN 0.414 nan 8.250 nan 0.000 0.477 178 D N 3.803 124.154 120.400 -0.082 0.000 2.420 178 D HA 0.257 4.897 4.640 0.000 0.000 0.255 178 D C -1.995 174.301 176.300 -0.006 0.000 1.185 178 D CA -2.269 51.703 54.000 -0.048 0.000 0.904 178 D CB 1.394 42.159 40.800 -0.059 0.000 1.102 178 D HN 0.026 nan 8.370 nan 0.000 0.534 179 P HA -0.086 nan 4.420 nan 0.000 0.219 179 P C 0.784 178.210 177.300 0.209 0.000 1.146 179 P CA 0.740 63.982 63.100 0.238 0.000 0.808 179 P CB 0.499 32.327 31.700 0.213 0.000 0.779 180 D N -1.459 118.991 120.400 0.084 0.000 2.144 180 D HA -0.078 4.562 4.640 0.000 0.000 0.200 180 D C 1.865 178.182 176.300 0.028 0.000 0.978 180 D CA 1.210 55.238 54.000 0.047 0.000 0.833 180 D CB -0.371 40.441 40.800 0.019 0.000 0.961 180 D HN 0.224 nan 8.370 nan 0.000 0.470 181 M N -0.051 119.538 119.600 -0.018 0.000 2.200 181 M HA -0.107 4.373 4.480 0.000 0.000 0.265 181 M C 2.314 178.519 176.300 -0.158 0.000 1.066 181 M CA 0.621 55.880 55.300 -0.069 0.000 1.127 181 M CB 0.043 32.574 32.600 -0.115 0.000 1.379 181 M HN -0.138 nan 8.290 nan 0.000 0.420 182 V N -0.698 119.066 119.914 -0.250 0.000 2.223 182 V HA -0.272 3.848 4.120 0.000 0.000 0.244 182 V C 1.709 177.403 176.094 -0.666 0.000 1.045 182 V CA 2.148 64.073 62.300 -0.625 0.000 1.000 182 V CB -0.670 30.764 31.823 -0.649 0.000 0.635 182 V HN 0.582 nan 8.190 nan 0.000 0.445 183 W N -0.128 121.112 121.300 -0.099 0.000 2.678 183 W HA -0.010 4.650 4.660 -0.000 0.000 0.256 183 W C 2.179 178.717 176.519 0.032 0.000 1.280 183 W CA 0.904 58.282 57.345 0.055 0.000 1.345 183 W CB -0.350 29.149 29.460 0.065 0.000 1.118 183 W HN 0.331 nan 8.180 nan 0.000 0.629 184 D N -0.055 120.430 120.400 0.142 0.000 2.077 184 D HA -0.251 4.389 4.640 0.000 0.000 0.196 184 D C 1.889 178.254 176.300 0.109 0.000 0.986 184 D CA 1.310 55.375 54.000 0.108 0.000 0.829 184 D CB -0.542 40.318 40.800 0.099 0.000 0.983 184 D HN 0.043 nan 8.370 nan 0.000 0.453 185 F N -0.163 119.765 119.950 -0.037 0.000 2.126 185 F HA -0.162 4.365 4.527 -0.000 0.000 0.299 185 F C 1.857 177.706 175.800 0.083 0.000 1.096 185 F CA 1.471 59.454 58.000 -0.029 0.000 1.255 185 F CB -0.273 38.642 39.000 -0.140 0.000 0.997 185 F HN 0.101 nan 8.300 nan 0.000 0.479 186 W N 0.786 122.050 121.300 -0.061 0.000 2.381 186 W HA -0.121 4.539 4.660 0.000 0.000 0.301 186 W C 3.053 179.479 176.519 -0.156 0.000 1.205 186 W CA 1.857 59.113 57.345 -0.148 0.000 1.285 186 W CB -1.591 27.760 29.460 -0.181 0.000 1.133 186 W HN 0.229 nan 8.180 nan 0.000 0.521 187 S N -0.361 115.447 115.700 0.181 0.000 2.428 187 S HA -0.100 4.370 4.470 0.000 0.000 0.230 187 S C 1.864 176.448 174.600 -0.026 0.000 1.014 187 S CA 0.890 59.126 58.200 0.060 0.000 0.957 187 S CB -0.862 62.399 63.200 0.100 0.000 0.784 187 S HN 0.225 nan 8.310 nan 0.000 0.499 188 L N 0.077 121.261 121.223 -0.064 0.000 2.418 188 L HA 0.221 4.561 4.340 0.000 0.000 0.218 188 L C 0.723 177.478 176.870 -0.191 0.000 1.125 188 L CA 0.322 55.098 54.840 -0.107 0.000 0.835 188 L CB -0.046 41.954 42.059 -0.099 0.000 0.953 188 L HN 0.121 nan 8.230 nan 0.000 0.454 189 R N 0.346 120.687 120.500 -0.266 0.000 2.564 189 R HA 0.222 4.562 4.340 0.000 0.000 0.282 189 R C -1.875 174.333 176.300 -0.153 0.000 1.573 189 R CA -2.049 53.893 56.100 -0.263 0.000 1.588 189 R CB 0.138 30.134 30.300 -0.506 0.000 1.154 189 R HN -0.054 nan 8.270 nan 0.000 0.606 190 P HA -0.197 nan 4.420 nan 0.000 0.223 190 P C 0.776 178.005 177.300 -0.119 0.000 1.144 190 P CA 1.049 64.070 63.100 -0.132 0.000 0.783 190 P CB 0.390 32.022 31.700 -0.113 0.000 0.771 191 E N 0.973 121.117 120.200 -0.092 0.000 2.409 191 E HA -0.105 4.245 4.350 0.000 0.000 0.198 191 E C 1.465 178.010 176.600 -0.092 0.000 1.024 191 E CA 1.257 57.613 56.400 -0.074 0.000 0.861 191 E CB -0.810 28.866 29.700 -0.041 0.000 0.788 191 E HN 0.360 nan 8.360 nan 0.000 0.521 192 S N 0.565 116.196 115.700 -0.116 0.000 2.527 192 S HA 0.038 4.508 4.470 0.000 0.000 0.222 192 S C 2.074 176.547 174.600 -0.211 0.000 0.985 192 S CA -0.050 58.053 58.200 -0.160 0.000 0.921 192 S CB -0.541 62.559 63.200 -0.166 0.000 0.772 192 S HN 0.194 nan 8.310 nan 0.000 0.529 193 L N 0.993 122.120 121.223 -0.159 0.000 2.034 193 L HA -0.269 4.071 4.340 0.000 0.000 0.217 193 L C 2.828 179.715 176.870 0.029 0.000 1.077 193 L CA 2.340 57.130 54.840 -0.083 0.000 0.769 193 L CB -0.806 41.210 42.059 -0.071 0.000 0.890 193 L HN 0.527 nan 8.230 nan 0.000 0.435 194 H N -1.371 117.613 119.070 -0.143 0.000 2.256 194 H HA -0.210 4.346 4.556 -0.000 0.000 0.299 194 H C 2.446 177.609 175.328 -0.276 0.000 1.071 194 H CA 1.251 57.190 56.048 -0.181 0.000 1.280 194 H CB 0.277 29.906 29.762 -0.221 0.000 1.370 194 H HN 0.190 nan 8.280 nan 0.000 0.490 195 Q N 0.617 120.204 119.800 -0.355 0.000 2.124 195 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 195 Q C 2.538 178.295 176.000 -0.406 0.000 0.977 195 Q CA 1.151 56.560 55.803 -0.657 0.000 0.850 195 Q CB -0.414 27.521 28.738 -1.337 0.000 0.901 195 Q HN 0.382 nan 8.270 nan 0.000 0.429 196 V N 0.287 120.039 119.914 -0.269 0.000 2.392 196 V HA -0.247 3.873 4.120 0.000 0.000 0.249 196 V C 2.283 178.539 176.094 0.270 0.000 1.059 196 V CA 1.942 64.220 62.300 -0.037 0.000 1.051 196 V CB -0.561 31.102 31.823 -0.267 0.000 0.658 196 V HN 0.264 nan 8.190 nan 0.000 0.455 197 S N -0.641 115.205 115.700 0.244 0.000 2.387 197 S HA -0.115 4.355 4.470 0.000 0.000 0.226 197 S C 1.726 176.512 174.600 0.309 0.000 1.026 197 S CA 1.432 59.862 58.200 0.382 0.000 0.972 197 S CB -0.345 63.110 63.200 0.425 0.000 0.814 197 S HN 0.624 nan 8.310 nan 0.000 0.477 198 F N 2.161 122.046 119.950 -0.108 0.000 2.163 198 F HA 0.062 4.589 4.527 -0.000 0.000 0.297 198 F C 1.824 177.629 175.800 0.009 0.000 1.094 198 F CA 0.621 58.518 58.000 -0.173 0.000 1.290 198 F CB -0.461 38.284 39.000 -0.424 0.000 1.017 198 F HN 0.130 nan 8.300 nan 0.000 0.483 199 L N -0.382 121.014 121.223 0.288 0.000 2.079 199 L HA -0.158 4.182 4.340 0.000 0.000 0.210 199 L C 1.463 178.342 176.870 0.015 0.000 1.081 199 L CA 1.934 56.882 54.840 0.180 0.000 0.752 199 L CB -1.070 41.083 42.059 0.158 0.000 0.896 199 L HN 0.121 nan 8.230 nan 0.000 0.433 200 F N -0.626 119.429 119.950 0.174 0.000 2.692 200 F HA 0.202 4.729 4.527 -0.000 0.000 0.303 200 F C 1.481 177.350 175.800 0.116 0.000 1.114 200 F CA 0.130 58.229 58.000 0.165 0.000 1.361 200 F CB -0.373 38.742 39.000 0.192 0.000 1.063 200 F HN 0.156 nan 8.300 nan 0.000 0.550 201 S N -1.371 114.436 115.700 0.179 0.000 2.738 201 S HA 0.151 4.621 4.470 0.000 0.000 0.284 201 S C 1.215 175.819 174.600 0.007 0.000 1.146 201 S CA -0.789 57.465 58.200 0.091 0.000 0.997 201 S CB 0.932 64.167 63.200 0.057 0.000 1.081 201 S HN 0.124 nan 8.310 nan 0.000 0.553 202 D N 0.925 121.315 120.400 -0.017 0.000 2.149 202 D HA -0.140 4.500 4.640 0.000 0.000 0.194 202 D C 1.828 178.105 176.300 -0.037 0.000 1.001 202 D CA 1.128 55.117 54.000 -0.018 0.000 0.849 202 D CB -0.217 40.569 40.800 -0.023 0.000 0.939 202 D HN 0.431 nan 8.370 nan 0.000 0.449 203 R N 0.605 121.030 120.500 -0.126 0.000 2.316 203 R HA -0.089 4.251 4.340 0.000 0.000 0.232 203 R C 2.210 178.517 176.300 0.012 0.000 1.137 203 R CA 0.715 56.744 56.100 -0.118 0.000 1.012 203 R CB -1.212 28.778 30.300 -0.516 0.000 0.859 203 R HN 0.259 nan 8.270 nan 0.000 0.474 204 G N 0.677 109.476 108.800 -0.003 0.000 2.448 204 G HA2 -0.130 3.830 3.960 0.000 0.000 0.219 204 G HA3 -0.130 3.830 3.960 0.000 0.000 0.219 204 G C 0.843 175.783 174.900 0.068 0.000 1.127 204 G CA 0.273 45.402 45.100 0.049 0.000 0.766 204 G HN 0.296 nan 8.290 nan 0.000 0.552 205 I N 2.231 122.833 120.570 0.055 0.000 2.698 205 I HA 0.223 4.393 4.170 0.000 0.000 0.276 205 I C -2.432 173.719 176.117 0.057 0.000 1.166 205 I CA -1.976 59.355 61.300 0.052 0.000 1.101 205 I CB 2.228 40.240 38.000 0.019 0.000 1.305 205 I HN -0.088 nan 8.210 nan 0.000 0.526 206 P HA -0.032 nan 4.420 nan 0.000 0.269 206 P C -0.482 176.873 177.300 0.092 0.000 1.209 206 P CA -0.023 63.148 63.100 0.119 0.000 0.776 206 P CB 1.143 32.948 31.700 0.174 0.000 0.876 207 D N 2.118 122.588 120.400 0.117 0.000 2.508 207 D HA 0.303 4.943 4.640 0.000 0.000 0.224 207 D C 0.873 177.321 176.300 0.248 0.000 1.171 207 D CA 0.697 54.791 54.000 0.157 0.000 1.006 207 D CB -1.094 39.782 40.800 0.128 0.000 1.073 207 D HN 0.664 nan 8.370 nan 0.000 0.513 208 G N 3.559 112.463 108.800 0.173 0.000 2.814 208 G HA2 -0.255 3.705 3.960 0.000 0.000 0.677 208 G HA3 -0.255 3.705 3.960 0.000 0.000 0.677 208 G C 0.752 175.530 174.900 -0.203 0.000 1.429 208 G CA -0.416 44.642 45.100 -0.070 0.000 0.868 208 G HN 0.610 nan 8.290 nan 0.000 0.553 209 H N 0.688 119.654 119.070 -0.174 0.000 2.502 209 H HA 0.029 4.585 4.556 -0.000 0.000 0.283 209 H C 2.689 177.797 175.328 -0.366 0.000 1.015 209 H CA 1.366 57.100 56.048 -0.523 0.000 1.298 209 H CB 0.110 29.052 29.762 -1.367 0.000 1.411 209 H HN 0.557 nan 8.280 nan 0.000 0.556 210 R N 0.406 120.804 120.500 -0.169 0.000 2.189 210 R HA -0.039 4.301 4.340 0.000 0.000 0.218 210 R C 0.353 176.467 176.300 -0.309 0.000 1.074 210 R CA 0.599 56.566 56.100 -0.223 0.000 0.991 210 R CB 0.123 30.184 30.300 -0.398 0.000 0.883 210 R HN 0.406 nan 8.270 nan 0.000 0.457 211 H N 0.297 119.406 119.070 0.065 0.000 2.539 211 H HA 0.231 4.787 4.556 -0.000 0.000 0.293 211 H C 0.145 175.577 175.328 0.173 0.000 1.156 211 H CA 0.035 56.135 56.048 0.087 0.000 1.012 211 H CB -0.091 29.706 29.762 0.059 0.000 1.600 211 H HN 0.202 nan 8.280 nan 0.000 0.538 212 M N -1.366 118.456 119.600 0.370 0.000 2.664 212 M HA 0.484 4.964 4.480 0.000 0.000 0.279 212 M C -1.175 175.478 176.300 0.588 0.000 1.275 212 M CA -1.089 54.462 55.300 0.419 0.000 0.829 212 M CB 2.166 34.987 32.600 0.369 0.000 1.727 212 M HN -0.264 nan 8.290 nan 0.000 0.459 213 N N -0.154 118.833 118.700 0.480 0.000 2.478 213 N HA 0.790 5.530 4.740 0.000 0.000 0.275 213 N C -0.789 174.769 175.510 0.080 0.000 1.221 213 N CA -0.230 53.014 53.050 0.323 0.000 0.979 213 N CB 1.780 40.349 38.487 0.136 0.000 1.202 213 N HN 0.897 nan 8.380 nan 0.000 0.564 214 G N -0.379 107.994 108.800 -0.711 0.000 2.591 214 G HA2 0.666 4.626 3.960 0.000 0.000 0.306 214 G HA3 0.666 4.626 3.960 0.000 0.000 0.306 214 G C -1.823 172.015 174.900 -1.770 0.000 1.334 214 G CA -0.273 43.966 45.100 -1.434 0.000 0.981 214 G HN 0.395 nan 8.290 nan 0.000 0.491 215 Y N -0.476 119.298 120.300 -0.876 0.000 2.562 215 Y HA 0.512 5.062 4.550 0.000 0.000 0.345 215 Y C 1.129 176.833 175.900 -0.326 0.000 1.045 215 Y CA -0.443 57.302 58.100 -0.591 0.000 1.028 215 Y CB 2.632 40.800 38.460 -0.486 0.000 1.297 215 Y HN 0.629 nan 8.280 nan 0.000 0.463 216 G N -0.327 108.487 108.800 0.022 0.000 2.777 216 G HA2 0.162 4.122 3.960 0.000 0.000 0.211 216 G HA3 0.162 4.122 3.960 0.000 0.000 0.211 216 G C 0.817 175.740 174.900 0.038 0.000 1.149 216 G CA 0.750 45.977 45.100 0.211 0.000 0.785 216 G HN 0.711 nan 8.290 nan 0.000 0.536 217 S N -0.554 115.054 115.700 -0.154 0.000 1.728 217 S HA -0.264 4.206 4.470 0.000 0.000 0.226 217 S C 0.913 175.277 174.600 -0.393 0.000 0.868 217 S CA 1.552 59.533 58.200 -0.364 0.000 1.531 217 S CB -1.289 61.621 63.200 -0.483 0.000 2.005 217 S HN 0.673 nan 8.310 nan 0.000 0.534 218 H N 2.224 121.167 119.070 -0.212 0.000 2.757 218 H HA 0.296 4.852 4.556 -0.000 0.000 0.370 218 H C 0.524 175.565 175.328 -0.479 0.000 1.172 218 H CA 0.923 56.729 56.048 -0.403 0.000 1.426 218 H CB 0.034 29.406 29.762 -0.651 0.000 1.438 218 H HN 0.362 nan 8.280 nan 0.000 0.612 219 T N 3.355 117.703 114.554 -0.343 0.000 2.817 219 T HA 0.298 4.648 4.350 0.000 0.000 0.293 219 T C 0.129 174.652 174.700 -0.296 0.000 0.964 219 T CA -0.117 61.795 62.100 -0.314 0.000 1.085 219 T CB 0.059 68.879 68.868 -0.080 0.000 0.921 219 T HN 0.222 nan 8.240 nan 0.000 0.502 220 F N 1.266 121.231 119.950 0.025 0.000 2.631 220 F HA 0.616 5.143 4.527 0.000 0.000 0.350 220 F C 0.483 176.432 175.800 0.248 0.000 1.080 220 F CA -1.175 56.904 58.000 0.133 0.000 1.026 220 F CB 1.560 40.664 39.000 0.175 0.000 1.347 220 F HN 0.244 nan 8.300 nan 0.000 0.501 221 K N 1.673 122.352 120.400 0.465 0.000 2.376 221 K HA 0.608 4.928 4.320 0.000 0.000 0.257 221 K C -1.806 174.930 176.600 0.227 0.000 0.939 221 K CA -0.368 56.108 56.287 0.315 0.000 0.809 221 K CB 0.994 33.665 32.500 0.284 0.000 1.121 221 K HN 0.570 nan 8.250 nan 0.000 0.425 222 L N 4.186 125.500 121.223 0.152 0.000 2.325 222 L HA 0.584 4.924 4.340 0.000 0.000 0.278 222 L C -0.791 176.111 176.870 0.053 0.000 1.023 222 L CA -1.264 53.643 54.840 0.111 0.000 0.811 222 L CB 1.902 44.024 42.059 0.105 0.000 1.249 222 L HN 0.375 nan 8.230 nan 0.000 0.431 223 V N 1.716 121.644 119.914 0.023 0.000 2.638 223 V HA 0.360 4.480 4.120 0.000 0.000 0.306 223 V C -0.432 175.642 176.094 -0.033 0.000 1.052 223 V CA -0.874 61.392 62.300 -0.056 0.000 0.885 223 V CB 1.966 33.737 31.823 -0.086 0.000 0.999 223 V HN 0.919 nan 8.190 nan 0.000 0.424 224 N N 3.617 122.282 118.700 -0.057 0.000 2.538 224 N HA 0.535 5.275 4.740 0.000 0.000 0.292 224 N C 1.003 176.480 175.510 -0.056 0.000 1.262 224 N CA -0.149 52.878 53.050 -0.038 0.000 0.976 224 N CB 0.981 39.443 38.487 -0.041 0.000 1.161 224 N HN 0.583 nan 8.380 nan 0.000 0.598 225 A N -0.771 122.023 122.820 -0.043 0.000 2.178 225 A HA -0.121 4.199 4.320 0.000 0.000 0.218 225 A C 1.299 178.852 177.584 -0.050 0.000 1.157 225 A CA 1.076 53.088 52.037 -0.040 0.000 0.689 225 A CB -1.163 17.819 19.000 -0.029 0.000 0.787 225 A HN 0.801 nan 8.150 nan 0.000 0.465 226 N N -1.573 117.088 118.700 -0.065 0.000 2.280 226 N HA 0.249 4.989 4.740 0.000 0.000 0.192 226 N C 0.942 176.396 175.510 -0.094 0.000 1.109 226 N CA 0.367 53.375 53.050 -0.070 0.000 0.855 226 N CB 0.283 38.728 38.487 -0.069 0.000 0.974 226 N HN 0.553 nan 8.380 nan 0.000 0.482 227 G N 1.460 110.187 108.800 -0.123 0.000 2.157 227 G HA2 -0.249 3.711 3.960 0.000 0.000 0.248 227 G HA3 -0.249 3.711 3.960 0.000 0.000 0.248 227 G C -0.326 174.391 174.900 -0.306 0.000 0.979 227 G CA -0.195 44.795 45.100 -0.183 0.000 0.650 227 G HN 0.369 nan 8.290 nan 0.000 0.529 228 E N 0.323 120.376 120.200 -0.245 0.000 2.301 228 E HA 0.631 4.981 4.350 0.000 0.000 0.275 228 E C 0.354 176.758 176.600 -0.327 0.000 1.030 228 E CA 0.213 56.445 56.400 -0.279 0.000 0.852 228 E CB 1.505 31.108 29.700 -0.162 0.000 1.060 228 E HN 0.750 nan 8.360 nan 0.000 0.401 229 A N 2.090 124.645 122.820 -0.442 0.000 2.454 229 A HA 0.714 5.034 4.320 0.000 0.000 0.302 229 A C -0.598 176.842 177.584 -0.241 0.000 1.079 229 A CA -0.701 51.138 52.037 -0.330 0.000 0.731 229 A CB 1.387 20.174 19.000 -0.355 0.000 1.299 229 A HN 0.439 nan 8.150 nan 0.000 0.413 230 V N -1.750 118.155 119.914 -0.014 0.000 3.167 230 V HA 0.826 4.946 4.120 0.000 0.000 0.310 230 V C -1.165 174.976 176.094 0.078 0.000 1.207 230 V CA -1.047 61.312 62.300 0.098 0.000 1.059 230 V CB 1.176 33.043 31.823 0.074 0.000 1.079 230 V HN 0.795 nan 8.190 nan 0.000 0.446 231 Y N 0.490 120.983 120.300 0.322 0.000 2.488 231 Y HA 0.859 5.409 4.550 0.000 0.000 0.325 231 Y C 0.595 176.676 175.900 0.301 0.000 1.204 231 Y CA -0.014 58.278 58.100 0.320 0.000 1.229 231 Y CB 1.737 40.416 38.460 0.365 0.000 1.274 231 Y HN 1.274 nan 8.280 nan 0.000 0.493 232 C N -0.110 119.443 119.300 0.421 0.000 3.321 232 C HA 0.791 5.251 4.460 0.000 0.000 0.329 232 C C -1.845 172.982 174.990 -0.272 0.000 1.394 232 C CA -1.286 57.808 59.018 0.126 0.000 1.291 232 C CB 1.997 29.649 27.740 -0.147 0.000 1.606 232 C HN 0.726 nan 8.230 nan 0.000 0.463 233 K N 0.761 120.940 120.400 -0.369 0.000 2.427 233 K HA 0.644 4.964 4.320 0.000 0.000 0.252 233 K C -1.785 174.632 176.600 -0.305 0.000 0.931 233 K CA -0.105 55.920 56.287 -0.435 0.000 0.793 233 K CB 1.815 34.058 32.500 -0.429 0.000 1.211 233 K HN 0.712 nan 8.250 nan 0.000 0.426 234 F N 2.350 122.264 119.950 -0.060 0.000 2.420 234 F HA 0.389 4.916 4.527 -0.000 0.000 0.342 234 F C 0.806 176.403 175.800 -0.337 0.000 1.113 234 F CA -0.295 57.636 58.000 -0.116 0.000 1.059 234 F CB 1.072 40.049 39.000 -0.039 0.000 1.128 234 F HN 0.279 nan 8.300 nan 0.000 0.475 235 H N 2.802 121.781 119.070 -0.151 0.000 2.806 235 H HA 0.366 4.922 4.556 0.000 0.000 0.367 235 H C -1.627 173.601 175.328 -0.166 0.000 1.136 235 H CA -0.951 54.901 56.048 -0.328 0.000 1.178 235 H CB 2.284 31.898 29.762 -0.246 0.000 1.718 235 H HN 0.545 nan 8.280 nan 0.000 0.540 236 Y N 0.326 120.498 120.300 -0.213 0.000 2.402 236 Y HA 0.334 4.884 4.550 -0.000 0.000 0.325 236 Y C -0.454 175.586 175.900 0.234 0.000 1.009 236 Y CA -1.472 56.650 58.100 0.036 0.000 1.278 236 Y CB 0.460 38.900 38.460 -0.034 0.000 1.105 236 Y HN 0.204 nan 8.280 nan 0.000 0.476 237 K N 1.510 122.184 120.400 0.457 0.000 2.249 237 K HA 0.200 4.520 4.320 0.000 0.000 0.280 237 K C 0.239 177.109 176.600 0.450 0.000 1.033 237 K CA -0.380 56.146 56.287 0.398 0.000 0.946 237 K CB 1.609 34.311 32.500 0.336 0.000 1.005 237 K HN 0.796 nan 8.250 nan 0.000 0.469 238 T N 2.005 116.770 114.554 0.351 0.000 2.829 238 T HA -0.006 4.344 4.350 0.000 0.000 0.293 238 T C 0.437 175.073 174.700 -0.106 0.000 0.970 238 T CA -0.293 61.733 62.100 -0.122 0.000 1.168 238 T CB -0.038 68.837 68.868 0.012 0.000 0.911 238 T HN 0.275 nan 8.240 nan 0.000 0.535 239 D N 4.138 124.393 120.400 -0.240 0.000 2.378 239 D HA -0.004 4.636 4.640 0.000 0.000 0.227 239 D C 1.495 177.741 176.300 -0.089 0.000 1.012 239 D CA 0.697 54.643 54.000 -0.090 0.000 0.905 239 D CB 0.389 41.146 40.800 -0.072 0.000 0.895 239 D HN 0.645 nan 8.370 nan 0.000 0.532 240 Q N -0.263 119.450 119.800 -0.145 0.000 2.384 240 Q HA 0.349 4.689 4.340 0.000 0.000 0.207 240 Q C 0.782 176.869 176.000 0.144 0.000 0.904 240 Q CA 0.299 56.083 55.803 -0.032 0.000 0.933 240 Q CB 1.107 29.733 28.738 -0.187 0.000 1.077 240 Q HN 0.177 nan 8.270 nan 0.000 0.522 241 G N 0.505 109.376 108.800 0.119 0.000 2.692 241 G HA2 -0.152 3.808 3.960 0.000 0.000 0.686 241 G HA3 -0.152 3.808 3.960 0.000 0.000 0.686 241 G C -0.879 174.144 174.900 0.204 0.000 1.243 241 G CA -1.016 44.174 45.100 0.150 0.000 0.782 241 G HN 0.034 nan 8.290 nan 0.000 0.625 242 I N 1.203 121.865 120.570 0.154 0.000 2.533 242 I HA 0.410 4.580 4.170 0.000 0.000 0.284 242 I C 0.700 176.861 176.117 0.073 0.000 1.109 242 I CA 0.470 61.863 61.300 0.155 0.000 1.412 242 I CB 1.155 39.241 38.000 0.143 0.000 1.396 242 I HN 0.663 nan 8.210 nan 0.000 0.543 243 K N 6.370 126.809 120.400 0.066 0.000 2.588 243 K HA 0.384 4.704 4.320 0.000 0.000 0.250 243 K C -1.173 175.438 176.600 0.018 0.000 0.972 243 K CA -0.588 55.667 56.287 -0.052 0.000 0.821 243 K CB 1.547 33.835 32.500 -0.354 0.000 1.249 243 K HN 0.560 nan 8.250 nan 0.000 0.442 244 N N 3.252 121.957 118.700 0.008 0.000 2.592 244 N HA 0.519 5.259 4.740 0.000 0.000 0.292 244 N C -0.787 174.722 175.510 -0.002 0.000 1.260 244 N CA -0.620 52.444 53.050 0.023 0.000 0.910 244 N CB 1.035 39.536 38.487 0.023 0.000 1.257 244 N HN 0.360 nan 8.380 nan 0.000 0.569 245 L N 0.600 121.818 121.223 -0.009 0.000 2.334 245 L HA 0.357 4.697 4.340 0.000 0.000 0.276 245 L C 0.702 177.559 176.870 -0.022 0.000 1.014 245 L CA -0.752 54.067 54.840 -0.035 0.000 0.815 245 L CB 1.673 43.682 42.059 -0.084 0.000 1.268 245 L HN 0.632 nan 8.230 nan 0.000 0.428 246 S N 0.668 116.355 115.700 -0.022 0.000 2.585 246 S HA 0.090 4.560 4.470 0.000 0.000 0.273 246 S C 1.233 175.830 174.600 -0.005 0.000 1.339 246 S CA -0.337 57.860 58.200 -0.006 0.000 1.028 246 S CB 1.454 64.651 63.200 -0.006 0.000 0.906 246 S HN 0.558 nan 8.310 nan 0.000 0.528 247 V N -0.167 119.757 119.914 0.016 0.000 2.490 247 V HA -0.153 3.967 4.120 0.000 0.000 0.250 247 V C 2.196 178.296 176.094 0.009 0.000 1.061 247 V CA 2.167 64.481 62.300 0.023 0.000 1.064 247 V CB -1.364 30.491 31.823 0.053 0.000 0.670 247 V HN 1.039 nan 8.190 nan 0.000 0.461 248 E N 0.475 120.680 120.200 0.008 0.000 2.031 248 E HA -0.281 4.069 4.350 0.000 0.000 0.193 248 E C 1.995 178.585 176.600 -0.016 0.000 0.994 248 E CA 1.912 58.313 56.400 0.002 0.000 0.800 248 E CB -0.234 29.469 29.700 0.006 0.000 0.752 248 E HN 0.698 nan 8.360 nan 0.000 0.447 249 D N 0.344 120.727 120.400 -0.028 0.000 2.104 249 D HA -0.191 4.449 4.640 0.000 0.000 0.194 249 D C 1.878 178.125 176.300 -0.088 0.000 0.994 249 D CA 1.458 55.425 54.000 -0.054 0.000 0.830 249 D CB -0.507 40.254 40.800 -0.065 0.000 0.959 249 D HN 0.329 nan 8.370 nan 0.000 0.452 250 A N 1.270 124.038 122.820 -0.086 0.000 1.892 250 A HA -0.160 4.160 4.320 0.000 0.000 0.218 250 A C 2.367 179.911 177.584 -0.067 0.000 1.188 250 A CA 2.794 54.771 52.037 -0.099 0.000 0.631 250 A CB -0.896 18.070 19.000 -0.057 0.000 0.822 250 A HN 0.264 nan 8.150 nan 0.000 0.447 251 A N -0.555 122.244 122.820 -0.034 0.000 1.883 251 A HA -0.200 4.120 4.320 0.000 0.000 0.217 251 A C 2.275 179.846 177.584 -0.022 0.000 1.186 251 A CA 1.916 53.942 52.037 -0.018 0.000 0.624 251 A CB -0.551 18.447 19.000 -0.003 0.000 0.822 251 A HN 0.571 nan 8.150 nan 0.000 0.444 252 R N -0.448 120.036 120.500 -0.027 0.000 2.091 252 R HA -0.083 4.257 4.340 0.000 0.000 0.238 252 R C 1.987 178.272 176.300 -0.024 0.000 1.136 252 R CA 1.641 57.729 56.100 -0.020 0.000 0.959 252 R CB -0.389 29.900 30.300 -0.018 0.000 0.856 252 R HN 0.538 nan 8.270 nan 0.000 0.437 253 L N 0.530 121.717 121.223 -0.060 0.000 2.093 253 L HA -0.125 4.215 4.340 0.000 0.000 0.208 253 L C 2.589 179.445 176.870 -0.024 0.000 1.085 253 L CA 1.361 56.163 54.840 -0.064 0.000 0.755 253 L CB -0.445 41.477 42.059 -0.227 0.000 0.904 253 L HN 0.351 nan 8.230 nan 0.000 0.435 254 S N -0.897 114.784 115.700 -0.031 0.000 2.440 254 S HA -0.262 4.208 4.470 0.000 0.000 0.238 254 S C 1.898 176.504 174.600 0.009 0.000 1.010 254 S CA 1.326 59.523 58.200 -0.004 0.000 0.972 254 S CB -0.209 62.987 63.200 -0.007 0.000 0.774 254 S HN 0.521 nan 8.310 nan 0.000 0.501 255 Q N 0.794 120.598 119.800 0.006 0.000 2.304 255 Q HA 0.081 4.421 4.340 0.000 0.000 0.204 255 Q C 1.818 177.830 176.000 0.019 0.000 0.936 255 Q CA 0.877 56.687 55.803 0.012 0.000 0.878 255 Q CB -0.088 28.655 28.738 0.007 0.000 0.983 255 Q HN 0.769 nan 8.270 nan 0.000 0.516 256 E N 0.344 120.557 120.200 0.023 0.000 2.112 256 E HA -0.080 4.270 4.350 0.000 0.000 0.190 256 E C -0.103 176.527 176.600 0.051 0.000 0.979 256 E CA 0.765 57.185 56.400 0.034 0.000 0.814 256 E CB 0.367 30.089 29.700 0.037 0.000 0.762 256 E HN 0.101 nan 8.360 nan 0.000 0.460 257 D N -1.095 119.345 120.400 0.067 0.000 2.411 257 D HA 0.124 4.764 4.640 0.000 0.000 0.239 257 D C -2.349 174.012 176.300 0.103 0.000 1.307 257 D CA -1.954 52.103 54.000 0.095 0.000 0.930 257 D CB 1.123 42.016 40.800 0.156 0.000 1.395 257 D HN -0.257 nan 8.370 nan 0.000 0.536 258 P HA -0.022 nan 4.420 nan 0.000 0.221 258 P C 0.119 177.473 177.300 0.089 0.000 1.145 258 P CA 0.952 64.091 63.100 0.065 0.000 0.795 258 P CB 0.353 32.079 31.700 0.044 0.000 0.775 259 D N -2.990 117.467 120.400 0.095 0.000 2.501 259 D HA 0.033 4.673 4.640 0.000 0.000 0.226 259 D C 1.207 177.585 176.300 0.130 0.000 1.198 259 D CA -0.432 53.627 54.000 0.099 0.000 0.830 259 D CB -0.501 40.325 40.800 0.043 0.000 1.014 259 D HN 0.156 nan 8.370 nan 0.000 0.496 260 Y N 2.367 122.677 120.300 0.017 0.000 2.096 260 Y HA -0.341 4.209 4.550 0.000 0.000 0.276 260 Y C 2.235 178.127 175.900 -0.012 0.000 1.209 260 Y CA 2.402 60.505 58.100 0.005 0.000 1.137 260 Y CB -0.360 38.098 38.460 -0.003 0.000 0.956 260 Y HN 0.081 nan 8.280 nan 0.000 0.506 261 G N 0.157 109.051 108.800 0.156 0.000 2.421 261 G HA2 -0.255 3.705 3.960 0.000 0.000 0.216 261 G HA3 -0.255 3.705 3.960 0.000 0.000 0.216 261 G C 1.734 176.650 174.900 0.026 0.000 1.171 261 G CA 1.326 46.379 45.100 -0.079 0.000 0.775 261 G HN 0.526 nan 8.290 nan 0.000 0.543 262 I N 0.058 120.727 120.570 0.165 0.000 2.163 262 I HA -0.170 4.000 4.170 0.000 0.000 0.243 262 I C 2.870 179.079 176.117 0.154 0.000 1.085 262 I CA 1.268 62.697 61.300 0.214 0.000 1.347 262 I CB -0.249 37.846 38.000 0.159 0.000 1.044 262 I HN 0.121 nan 8.210 nan 0.000 0.408 263 R N 0.932 121.458 120.500 0.044 0.000 2.075 263 R HA -0.239 4.101 4.340 0.000 0.000 0.232 263 R C 1.971 178.278 176.300 0.011 0.000 1.126 263 R CA 2.335 58.444 56.100 0.014 0.000 0.963 263 R CB -0.287 29.980 30.300 -0.055 0.000 0.858 263 R HN 0.378 nan 8.270 nan 0.000 0.435 264 D N -0.121 120.198 120.400 -0.136 0.000 2.117 264 D HA -0.195 4.445 4.640 0.000 0.000 0.197 264 D C 1.944 178.237 176.300 -0.012 0.000 0.987 264 D CA 0.925 54.825 54.000 -0.166 0.000 0.829 264 D CB 0.015 40.594 40.800 -0.368 0.000 0.961 264 D HN 0.187 nan 8.370 nan 0.000 0.460 265 L N -0.539 120.724 121.223 0.068 0.000 2.056 265 L HA -0.006 4.334 4.340 0.000 0.000 0.207 265 L C 1.895 178.883 176.870 0.197 0.000 1.078 265 L CA 1.551 56.484 54.840 0.156 0.000 0.749 265 L CB -0.951 41.280 42.059 0.287 0.000 0.901 265 L HN 0.160 nan 8.230 nan 0.000 0.433 266 F N 0.339 120.348 119.950 0.100 0.000 2.146 266 F HA -0.175 4.352 4.527 0.000 0.000 0.298 266 F C 2.322 178.168 175.800 0.077 0.000 1.096 266 F CA 1.593 59.659 58.000 0.109 0.000 1.275 266 F CB -0.368 38.695 39.000 0.105 0.000 1.008 266 F HN 0.230 nan 8.300 nan 0.000 0.480 267 N N 0.934 119.818 118.700 0.307 0.000 2.084 267 N HA -0.184 4.556 4.740 0.000 0.000 0.190 267 N C 2.075 177.626 175.510 0.068 0.000 1.030 267 N CA 1.446 54.608 53.050 0.187 0.000 0.849 267 N CB -1.052 37.498 38.487 0.104 0.000 1.012 267 N HN 0.385 nan 8.380 nan 0.000 0.423 268 A N 2.124 124.971 122.820 0.044 0.000 1.848 268 A HA -0.189 4.131 4.320 0.000 0.000 0.217 268 A C 2.371 179.957 177.584 0.004 0.000 1.220 268 A CA 1.677 53.719 52.037 0.008 0.000 0.645 268 A CB -1.149 17.857 19.000 0.011 0.000 0.842 268 A HN 0.248 nan 8.150 nan 0.000 0.451 269 I N -0.258 120.341 120.570 0.049 0.000 2.194 269 I HA -0.341 3.829 4.170 0.000 0.000 0.246 269 I C 2.902 179.057 176.117 0.063 0.000 1.093 269 I CA 1.277 62.658 61.300 0.136 0.000 1.355 269 I CB -0.407 37.649 38.000 0.093 0.000 1.046 269 I HN 0.415 nan 8.210 nan 0.000 0.413 270 A N 0.437 123.203 122.820 -0.089 0.000 2.019 270 A HA -0.176 4.144 4.320 0.000 0.000 0.219 270 A C 2.149 179.733 177.584 -0.001 0.000 1.164 270 A CA 2.073 54.067 52.037 -0.072 0.000 0.644 270 A CB -0.951 18.005 19.000 -0.075 0.000 0.805 270 A HN 0.545 nan 8.150 nan 0.000 0.449 271 T N -4.497 110.043 114.554 -0.022 0.000 3.206 271 T HA 0.433 4.783 4.350 0.000 0.000 0.253 271 T C 1.254 175.867 174.700 -0.144 0.000 1.042 271 T CA 0.894 62.966 62.100 -0.047 0.000 0.931 271 T CB 0.017 68.867 68.868 -0.031 0.000 1.029 271 T HN 1.592 nan 8.240 nan 0.000 0.564 272 G N 2.248 110.895 108.800 -0.254 0.000 2.184 272 G HA2 -0.284 3.676 3.960 0.000 0.000 0.264 272 G HA3 -0.284 3.676 3.960 0.000 0.000 0.264 272 G C 0.180 174.525 174.900 -0.926 0.000 0.975 272 G CA 0.094 44.767 45.100 -0.712 0.000 0.642 272 G HN 0.617 nan 8.290 nan 0.000 0.536 273 K N 1.030 121.145 120.400 -0.475 0.000 2.518 273 K HA 0.331 4.651 4.320 0.000 0.000 0.244 273 K C -0.394 176.107 176.600 -0.166 0.000 1.232 273 K CA -0.610 55.505 56.287 -0.288 0.000 1.189 273 K CB 0.067 32.485 32.500 -0.137 0.000 1.737 273 K HN 0.354 nan 8.250 nan 0.000 0.333 274 Y N 2.647 122.950 120.300 0.004 0.000 2.677 274 Y HA 0.009 4.559 4.550 -0.000 0.000 0.335 274 Y C -1.613 174.278 175.900 -0.016 0.000 1.162 274 Y CA -2.677 55.433 58.100 0.016 0.000 1.483 274 Y CB -0.696 37.789 38.460 0.042 0.000 1.209 274 Y HN 0.377 nan 8.280 nan 0.000 0.528 275 P HA 0.252 nan 4.420 nan 0.000 0.278 275 P C -0.650 176.603 177.300 -0.078 0.000 1.238 275 P CA -0.355 62.689 63.100 -0.094 0.000 0.794 275 P CB 1.811 33.440 31.700 -0.117 0.000 0.955 276 S N 1.338 116.834 115.700 -0.339 0.000 2.651 276 S HA 0.734 5.204 4.470 0.000 0.000 0.279 276 S C -1.544 172.886 174.600 -0.283 0.000 1.148 276 S CA -0.767 57.393 58.200 -0.066 0.000 0.837 276 S CB 1.646 64.872 63.200 0.043 0.000 1.138 276 S HN 0.546 nan 8.310 nan 0.000 0.478 277 W N 0.359 121.785 121.300 0.209 0.000 3.032 277 W HA 0.431 5.091 4.660 -0.000 0.000 0.335 277 W C -0.995 175.667 176.519 0.238 0.000 1.154 277 W CA -0.706 56.800 57.345 0.269 0.000 1.204 277 W CB 2.423 32.116 29.460 0.389 0.000 1.416 277 W HN 0.624 nan 8.180 nan 0.000 0.521 278 T N 2.682 117.484 114.554 0.413 0.000 2.767 278 T HA 0.272 4.622 4.350 0.000 0.000 0.288 278 T C -0.787 174.044 174.700 0.218 0.000 0.963 278 T CA -0.162 62.062 62.100 0.207 0.000 1.019 278 T CB 0.630 69.520 68.868 0.037 0.000 0.923 278 T HN 0.151 nan 8.240 nan 0.000 0.468 279 F N 4.320 124.298 119.950 0.046 0.000 2.411 279 F HA 0.530 5.057 4.527 -0.000 0.000 0.355 279 F C -0.826 174.957 175.800 -0.028 0.000 1.117 279 F CA -0.465 57.642 58.000 0.180 0.000 1.139 279 F CB 0.352 39.578 39.000 0.376 0.000 1.120 279 F HN 0.530 nan 8.300 nan 0.000 0.493 280 Y N 5.369 125.658 120.300 -0.019 0.000 2.693 280 Y HA 0.719 5.269 4.550 -0.000 0.000 0.331 280 Y C -0.265 175.620 175.900 -0.024 0.000 1.092 280 Y CA -1.379 56.729 58.100 0.014 0.000 1.131 280 Y CB 1.558 39.977 38.460 -0.069 0.000 1.318 280 Y HN 0.469 nan 8.280 nan 0.000 0.510 281 I N -1.499 119.199 120.570 0.212 0.000 2.913 281 I HA 0.611 4.781 4.170 0.000 0.000 0.302 281 I C -1.805 174.345 176.117 0.053 0.000 1.246 281 I CA -1.122 60.246 61.300 0.113 0.000 1.010 281 I CB 2.627 40.663 38.000 0.060 0.000 1.259 281 I HN 0.518 nan 8.210 nan 0.000 0.434 282 Q N 2.859 122.701 119.800 0.070 0.000 2.309 282 Q HA 0.744 5.084 4.340 0.000 0.000 0.264 282 Q C -1.355 174.757 176.000 0.186 0.000 1.008 282 Q CA -1.040 54.855 55.803 0.154 0.000 0.853 282 Q CB 3.312 32.253 28.738 0.338 0.000 1.314 282 Q HN 0.581 nan 8.270 nan 0.000 0.448 283 V N 2.845 122.822 119.914 0.105 0.000 2.555 283 V HA 0.546 4.666 4.120 0.000 0.000 0.302 283 V C -0.563 175.563 176.094 0.054 0.000 1.038 283 V CA -0.732 61.567 62.300 -0.001 0.000 0.887 283 V CB 1.782 33.372 31.823 -0.389 0.000 0.991 283 V HN 0.792 nan 8.190 nan 0.000 0.434 284 M N 4.793 124.376 119.600 -0.028 0.000 2.151 284 M HA 0.464 4.944 4.480 0.000 0.000 0.290 284 M C 0.137 176.473 176.300 0.060 0.000 0.965 284 M CA -0.282 54.901 55.300 -0.195 0.000 0.930 284 M CB 1.831 33.807 32.600 -1.040 0.000 1.560 284 M HN 0.913 nan 8.290 nan 0.000 0.438 285 T N 1.130 115.757 114.554 0.122 0.000 2.748 285 T HA 0.210 4.560 4.350 0.000 0.000 0.304 285 T C 0.736 175.642 174.700 0.344 0.000 1.041 285 T CA -0.178 62.052 62.100 0.216 0.000 1.033 285 T CB 0.421 69.386 68.868 0.161 0.000 0.995 285 T HN 0.556 nan 8.240 nan 0.000 0.536 286 F N 1.077 121.079 119.950 0.086 0.000 2.216 286 F HA 0.023 4.550 4.527 0.000 0.000 0.300 286 F C 2.429 178.294 175.800 0.108 0.000 1.085 286 F CA 0.908 58.998 58.000 0.150 0.000 1.326 286 F CB -1.075 37.983 39.000 0.097 0.000 1.027 286 F HN 0.505 nan 8.300 nan 0.000 0.497 287 N N 0.039 118.890 118.700 0.251 0.000 2.142 287 N HA -0.142 4.598 4.740 0.000 0.000 0.186 287 N C 1.789 177.357 175.510 0.096 0.000 1.023 287 N CA 1.021 54.155 53.050 0.141 0.000 0.852 287 N CB -0.436 38.113 38.487 0.103 0.000 0.998 287 N HN 0.389 nan 8.380 nan 0.000 0.424 288 Q N 0.018 119.878 119.800 0.100 0.000 2.167 288 Q HA 0.054 4.394 4.340 0.000 0.000 0.202 288 Q C 1.960 177.960 176.000 -0.000 0.000 0.970 288 Q CA 1.178 57.027 55.803 0.077 0.000 0.855 288 Q CB -0.095 28.720 28.738 0.128 0.000 0.911 288 Q HN 0.369 nan 8.270 nan 0.000 0.438 289 A N 1.455 124.251 122.820 -0.041 0.000 1.978 289 A HA -0.246 4.074 4.320 0.000 0.000 0.220 289 A C 1.771 179.274 177.584 -0.135 0.000 1.170 289 A CA 1.548 53.471 52.037 -0.191 0.000 0.636 289 A CB -0.311 18.594 19.000 -0.158 0.000 0.810 289 A HN 0.358 nan 8.150 nan 0.000 0.448 290 E N -0.736 119.442 120.200 -0.037 0.000 2.107 290 E HA -0.101 4.249 4.350 0.000 0.000 0.191 290 E C 1.861 178.454 176.600 -0.013 0.000 0.982 290 E CA 1.446 57.831 56.400 -0.025 0.000 0.809 290 E CB -0.232 29.474 29.700 0.009 0.000 0.756 290 E HN 0.800 nan 8.360 nan 0.000 0.459 291 T N -1.198 113.364 114.554 0.013 0.000 3.107 291 T HA 0.039 4.389 4.350 0.000 0.000 0.249 291 T C 0.337 175.057 174.700 0.033 0.000 1.096 291 T CA -0.484 61.621 62.100 0.009 0.000 1.012 291 T CB -0.355 68.521 68.868 0.012 0.000 0.977 291 T HN -0.046 nan 8.240 nan 0.000 0.527 292 F N 3.555 123.431 119.950 -0.125 0.000 2.572 292 F HA 0.308 4.835 4.527 -0.000 0.000 0.370 292 F C -1.384 174.319 175.800 -0.162 0.000 1.103 292 F CA -2.390 55.530 58.000 -0.133 0.000 1.286 292 F CB 0.846 39.706 39.000 -0.233 0.000 1.105 292 F HN -0.080 nan 8.300 nan 0.000 0.583 293 P HA -0.201 nan 4.420 nan 0.000 0.215 293 P C -0.218 176.579 177.300 -0.838 0.000 1.163 293 P CA 1.818 64.396 63.100 -0.870 0.000 0.894 293 P CB 0.018 30.981 31.700 -1.228 0.000 0.791 294 F N -2.522 117.091 119.950 -0.562 0.000 2.561 294 F HA 0.352 4.879 4.527 0.000 0.000 0.384 294 F C 1.060 176.940 175.800 0.134 0.000 1.131 294 F CA -1.240 56.664 58.000 -0.159 0.000 1.133 294 F CB -0.746 38.200 39.000 -0.089 0.000 1.506 294 F HN -0.367 nan 8.300 nan 0.000 0.499 295 N N 3.061 121.975 118.700 0.357 0.000 2.416 295 N HA 0.126 4.866 4.740 0.000 0.000 0.265 295 N C -1.715 173.880 175.510 0.141 0.000 1.195 295 N CA -2.101 51.037 53.050 0.147 0.000 0.943 295 N CB 0.611 39.153 38.487 0.092 0.000 1.115 295 N HN 0.143 nan 8.380 nan 0.000 0.481 296 P HA -0.107 nan 4.420 nan 0.000 0.221 296 P C 0.216 177.366 177.300 -0.251 0.000 1.145 296 P CA 1.115 63.934 63.100 -0.467 0.000 0.795 296 P CB -0.004 31.140 31.700 -0.926 0.000 0.775 297 F N -0.426 119.488 119.950 -0.061 0.000 2.664 297 F HA 0.233 4.760 4.527 -0.000 0.000 0.303 297 F C 0.826 176.593 175.800 -0.055 0.000 1.092 297 F CA -1.439 56.494 58.000 -0.113 0.000 1.305 297 F CB -0.987 37.916 39.000 -0.162 0.000 1.054 297 F HN -0.124 nan 8.300 nan 0.000 0.565 298 D N 1.435 121.905 120.400 0.116 0.000 2.338 298 D HA 0.011 4.651 4.640 0.000 0.000 0.255 298 D C 1.212 177.532 176.300 0.034 0.000 1.237 298 D CA -0.001 54.049 54.000 0.084 0.000 0.883 298 D CB 0.938 41.789 40.800 0.087 0.000 1.087 298 D HN 0.116 nan 8.370 nan 0.000 0.485 299 L N 3.966 125.203 121.223 0.023 0.000 2.450 299 L HA -0.054 4.286 4.340 0.000 0.000 0.224 299 L C 1.848 178.668 176.870 -0.084 0.000 1.149 299 L CA 1.658 56.477 54.840 -0.036 0.000 0.816 299 L CB -0.688 41.384 42.059 0.022 0.000 0.932 299 L HN 0.625 nan 8.230 nan 0.000 0.449 300 T N -4.286 110.237 114.554 -0.052 0.000 3.188 300 T HA 0.189 4.539 4.350 0.000 0.000 0.250 300 T C 0.617 175.294 174.700 -0.039 0.000 1.077 300 T CA -0.205 61.842 62.100 -0.088 0.000 0.967 300 T CB -0.167 68.669 68.868 -0.055 0.000 1.006 300 T HN 0.175 nan 8.240 nan 0.000 0.552 301 K N 0.920 121.296 120.400 -0.039 0.000 2.385 301 K HA 0.684 5.004 4.320 0.000 0.000 0.248 301 K C -0.693 175.929 176.600 0.037 0.000 0.955 301 K CA -1.001 55.316 56.287 0.050 0.000 0.816 301 K CB 2.830 35.403 32.500 0.122 0.000 1.250 301 K HN 0.135 nan 8.250 nan 0.000 0.434 302 V N -2.013 118.005 119.914 0.174 0.000 3.103 302 V HA 0.629 4.749 4.120 0.000 0.000 0.318 302 V C -1.403 174.982 176.094 0.484 0.000 1.114 302 V CA -0.836 61.555 62.300 0.152 0.000 1.020 302 V CB 1.253 33.161 31.823 0.142 0.000 1.085 302 V HN 0.657 nan 8.190 nan 0.000 0.446 303 W N 1.663 123.051 121.300 0.146 0.000 2.283 303 W HA 0.588 5.248 4.660 0.000 0.000 0.317 303 W C -2.540 174.206 176.519 0.379 0.000 1.042 303 W CA -2.761 54.679 57.345 0.159 0.000 1.348 303 W CB 0.116 29.487 29.460 -0.148 0.000 1.216 303 W HN 0.442 nan 8.180 nan 0.000 0.404 304 P HA -0.071 nan 4.420 nan 0.000 0.261 304 P C 1.101 178.719 177.300 0.529 0.000 1.183 304 P CA 0.776 64.167 63.100 0.486 0.000 0.761 304 P CB 0.507 32.432 31.700 0.375 0.000 0.785 305 H N 2.457 121.670 119.070 0.239 0.000 2.319 305 H HA -0.215 4.341 4.556 0.000 0.000 0.297 305 H C 1.482 176.876 175.328 0.111 0.000 1.097 305 H CA 1.223 57.364 56.048 0.155 0.000 1.285 305 H CB -0.052 29.755 29.762 0.074 0.000 1.368 305 H HN 0.381 nan 8.280 nan 0.000 0.495 306 K N 0.604 121.144 120.400 0.233 0.000 2.259 306 K HA -0.176 4.144 4.320 0.000 0.000 0.206 306 K C 1.182 177.807 176.600 0.041 0.000 1.044 306 K CA 1.863 58.218 56.287 0.114 0.000 0.931 306 K CB -0.016 32.538 32.500 0.091 0.000 0.726 306 K HN 0.506 nan 8.250 nan 0.000 0.467 307 D N -2.116 118.303 120.400 0.032 0.000 2.455 307 D HA 0.036 4.676 4.640 0.000 0.000 0.228 307 D C -0.275 175.687 176.300 -0.563 0.000 1.070 307 D CA 0.440 54.279 54.000 -0.267 0.000 0.881 307 D CB 0.441 41.050 40.800 -0.319 0.000 1.087 307 D HN 0.191 nan 8.370 nan 0.000 0.498 308 Y N 0.935 121.296 120.300 0.100 0.000 2.705 308 Y HA 0.336 4.886 4.550 0.000 0.000 0.355 308 Y C -2.458 173.474 175.900 0.053 0.000 1.039 308 Y CA -2.365 55.776 58.100 0.069 0.000 1.233 308 Y CB 1.362 39.878 38.460 0.093 0.000 1.103 308 Y HN -0.233 nan 8.280 nan 0.000 0.624 309 P HA -0.019 nan 4.420 nan 0.000 0.266 309 P C -0.276 176.987 177.300 -0.060 0.000 1.193 309 P CA 0.126 63.228 63.100 0.005 0.000 0.770 309 P CB 0.847 32.558 31.700 0.018 0.000 0.836 310 L N 3.189 124.291 121.223 -0.202 0.000 2.367 310 L HA 0.249 4.589 4.340 0.000 0.000 0.275 310 L C 0.313 177.185 176.870 0.004 0.000 1.129 310 L CA -0.275 54.419 54.840 -0.243 0.000 0.839 310 L CB -0.024 41.667 42.059 -0.615 0.000 1.133 310 L HN 0.196 nan 8.230 nan 0.000 0.453 311 I N 4.839 125.476 120.570 0.112 0.000 2.355 311 I HA 0.320 4.490 4.170 0.000 0.000 0.288 311 I C -2.044 174.199 176.117 0.209 0.000 0.999 311 I CA -2.938 58.453 61.300 0.153 0.000 1.163 311 I CB 0.971 39.053 38.000 0.137 0.000 1.316 311 I HN 0.324 nan 8.210 nan 0.000 0.454 312 P HA 0.127 nan 4.420 nan 0.000 0.268 312 P C 0.274 177.478 177.300 -0.160 0.000 1.204 312 P CA 0.153 63.115 63.100 -0.231 0.000 0.768 312 P CB 2.137 33.486 31.700 -0.585 0.000 0.842 313 V N 1.997 121.935 119.914 0.040 0.000 3.058 313 V HA 0.413 4.533 4.120 0.000 0.000 0.233 313 V C 1.161 177.468 176.094 0.355 0.000 1.255 313 V CA 1.341 63.809 62.300 0.281 0.000 1.267 313 V CB 0.128 32.248 31.823 0.494 0.000 1.049 313 V HN 0.862 nan 8.190 nan 0.000 0.486 314 G N -0.509 108.516 108.800 0.375 0.000 2.510 314 G HA2 0.497 4.457 3.960 0.000 0.000 0.277 314 G HA3 0.497 4.457 3.960 0.000 0.000 0.277 314 G C -1.778 173.256 174.900 0.223 0.000 1.223 314 G CA -0.473 44.743 45.100 0.194 0.000 0.887 314 G HN 0.030 nan 8.290 nan 0.000 0.485 315 K N -0.566 119.882 120.400 0.080 0.000 2.508 315 K HA 0.647 4.967 4.320 0.000 0.000 0.260 315 K C -1.457 175.279 176.600 0.226 0.000 0.949 315 K CA -0.683 55.716 56.287 0.186 0.000 0.834 315 K CB 2.673 35.225 32.500 0.087 0.000 1.365 315 K HN 0.303 nan 8.250 nan 0.000 0.437 316 L N 2.261 123.655 121.223 0.286 0.000 2.333 316 L HA 0.580 4.920 4.340 0.000 0.000 0.280 316 L C -0.981 175.987 176.870 0.163 0.000 1.004 316 L CA -1.131 53.833 54.840 0.206 0.000 0.820 316 L CB 1.916 44.130 42.059 0.259 0.000 1.247 316 L HN 0.240 nan 8.230 nan 0.000 0.416 317 V N 4.674 124.505 119.914 -0.139 0.000 2.577 317 V HA 0.441 4.561 4.120 0.000 0.000 0.303 317 V C -0.321 175.709 176.094 -0.107 0.000 1.042 317 V CA -0.463 61.743 62.300 -0.156 0.000 0.872 317 V CB 2.251 33.775 31.823 -0.498 0.000 0.998 317 V HN 0.524 nan 8.190 nan 0.000 0.423 318 L N 4.920 126.211 121.223 0.114 0.000 2.276 318 L HA 0.540 4.880 4.340 0.000 0.000 0.286 318 L C 0.826 177.730 176.870 0.058 0.000 1.024 318 L CA -0.084 54.823 54.840 0.112 0.000 0.826 318 L CB 1.077 43.284 42.059 0.247 0.000 1.211 318 L HN 0.930 nan 8.230 nan 0.000 0.422 319 N N 2.542 121.178 118.700 -0.106 0.000 2.143 319 N HA 0.125 4.865 4.740 0.000 0.000 0.222 319 N C 0.253 175.614 175.510 -0.248 0.000 1.264 319 N CA -0.640 52.108 53.050 -0.503 0.000 0.897 319 N CB 0.974 38.859 38.487 -1.002 0.000 1.092 319 N HN 0.455 nan 8.380 nan 0.000 0.516 320 R N 1.075 121.569 120.500 -0.011 0.000 2.514 320 R HA 0.288 4.628 4.340 0.000 0.000 0.296 320 R C -1.474 174.918 176.300 0.154 0.000 1.012 320 R CA -0.425 55.702 56.100 0.044 0.000 0.897 320 R CB 1.222 31.545 30.300 0.038 0.000 1.184 320 R HN 0.114 nan 8.270 nan 0.000 0.440 321 N N 4.120 122.840 118.700 0.033 0.000 2.444 321 N HA 0.233 4.973 4.740 0.000 0.000 0.255 321 N C -2.253 173.381 175.510 0.208 0.000 1.255 321 N CA -1.256 51.818 53.050 0.040 0.000 0.933 321 N CB 0.731 38.957 38.487 -0.435 0.000 1.143 321 N HN 0.413 nan 8.380 nan 0.000 0.453 322 P HA 0.013 nan 4.420 nan 0.000 0.274 322 P C 0.256 177.695 177.300 0.230 0.000 1.231 322 P CA -0.156 63.140 63.100 0.327 0.000 0.790 322 P CB 1.222 33.202 31.700 0.467 0.000 0.951 323 V N 1.013 120.986 119.914 0.098 0.000 2.446 323 V HA 0.005 4.125 4.120 0.000 0.000 0.244 323 V C 1.266 177.449 176.094 0.149 0.000 1.039 323 V CA 1.422 63.785 62.300 0.105 0.000 1.045 323 V CB -0.699 31.135 31.823 0.018 0.000 0.681 323 V HN 0.694 nan 8.190 nan 0.000 0.459 324 N N -1.243 117.542 118.700 0.142 0.000 2.448 324 N HA 0.129 4.869 4.740 0.000 0.000 0.279 324 N C 0.215 175.875 175.510 0.250 0.000 1.025 324 N CA -0.419 52.743 53.050 0.187 0.000 0.898 324 N CB 1.912 40.486 38.487 0.145 0.000 1.303 324 N HN 0.231 nan 8.380 nan 0.000 0.495 325 Y N 4.295 124.700 120.300 0.176 0.000 2.165 325 Y HA -0.205 4.345 4.550 -0.000 0.000 0.286 325 Y C 1.707 177.706 175.900 0.166 0.000 1.155 325 Y CA 1.730 59.937 58.100 0.178 0.000 1.164 325 Y CB -0.125 38.434 38.460 0.164 0.000 0.978 325 Y HN 0.658 nan 8.280 nan 0.000 0.513 326 F N 0.193 120.298 119.950 0.258 0.000 2.134 326 F HA -0.181 4.346 4.527 -0.000 0.000 0.299 326 F C 2.291 178.113 175.800 0.037 0.000 1.097 326 F CA 1.611 59.699 58.000 0.146 0.000 1.264 326 F CB -0.659 38.427 39.000 0.143 0.000 1.001 326 F HN 0.087 nan 8.300 nan 0.000 0.479 327 A N -0.200 122.734 122.820 0.190 0.000 1.897 327 A HA -0.121 4.199 4.320 0.000 0.000 0.215 327 A C 1.974 179.536 177.584 -0.037 0.000 1.181 327 A CA 1.717 53.801 52.037 0.078 0.000 0.620 327 A CB -0.607 18.464 19.000 0.120 0.000 0.821 327 A HN 0.543 nan 8.150 nan 0.000 0.443 328 E N -1.112 119.082 120.200 -0.009 0.000 2.452 328 E HA 0.140 4.490 4.350 0.000 0.000 0.197 328 E C 1.180 177.777 176.600 -0.005 0.000 1.022 328 E CA 0.510 56.946 56.400 0.060 0.000 0.890 328 E CB 0.541 30.343 29.700 0.169 0.000 0.918 328 E HN 0.418 nan 8.360 nan 0.000 0.496 329 V N -0.075 119.672 119.914 -0.278 0.000 3.054 329 V HA -0.039 4.081 4.120 0.000 0.000 0.227 329 V C 1.930 177.729 176.094 -0.490 0.000 1.252 329 V CA 0.524 62.529 62.300 -0.492 0.000 1.279 329 V CB 0.053 31.242 31.823 -1.057 0.000 1.118 329 V HN -0.018 nan 8.190 nan 0.000 0.504 330 E N 1.075 120.917 120.200 -0.597 0.000 2.085 330 E HA -0.229 4.121 4.350 0.000 0.000 0.194 330 E C 2.115 178.476 176.600 -0.398 0.000 0.994 330 E CA 1.745 57.907 56.400 -0.398 0.000 0.801 330 E CB -0.174 29.287 29.700 -0.399 0.000 0.743 330 E HN 0.614 nan 8.360 nan 0.000 0.453 331 Q N -0.414 119.094 119.800 -0.488 0.000 2.451 331 Q HA 0.112 4.452 4.340 0.000 0.000 0.206 331 Q C 0.519 176.369 176.000 -0.251 0.000 0.947 331 Q CA -0.192 55.393 55.803 -0.363 0.000 0.937 331 Q CB 0.192 28.718 28.738 -0.353 0.000 1.025 331 Q HN 0.356 nan 8.270 nan 0.000 0.511 332 I N 0.764 121.184 120.570 -0.251 0.000 2.754 332 I HA 0.106 4.276 4.170 0.000 0.000 0.285 332 I C -0.706 175.197 176.117 -0.356 0.000 1.166 332 I CA -0.138 60.979 61.300 -0.305 0.000 1.417 332 I CB 0.651 38.440 38.000 -0.350 0.000 1.382 332 I HN -0.061 nan 8.210 nan 0.000 0.588 333 A N 7.170 129.684 122.820 -0.509 0.000 2.381 333 A HA 0.682 5.002 4.320 0.000 0.000 0.299 333 A C -1.426 175.905 177.584 -0.421 0.000 1.049 333 A CA -0.404 51.274 52.037 -0.598 0.000 0.715 333 A CB 0.635 19.008 19.000 -1.046 0.000 1.222 333 A HN 0.549 nan 8.150 nan 0.000 0.428 334 F N 1.648 121.623 119.950 0.042 0.000 2.444 334 F HA 0.454 4.981 4.527 -0.000 0.000 0.342 334 F C -0.342 175.532 175.800 0.124 0.000 1.121 334 F CA -0.461 57.547 58.000 0.012 0.000 0.997 334 F CB 2.151 41.086 39.000 -0.109 0.000 1.130 334 F HN 0.428 nan 8.300 nan 0.000 0.454 335 D N 5.254 125.756 120.400 0.171 0.000 2.440 335 D HA 0.240 4.880 4.640 0.000 0.000 0.239 335 D C -2.029 174.201 176.300 -0.116 0.000 1.084 335 D CA -1.609 52.422 54.000 0.051 0.000 0.843 335 D CB 1.959 42.868 40.800 0.181 0.000 1.097 335 D HN 0.170 nan 8.370 nan 0.000 0.531 336 P HA -0.181 nan 4.420 nan 0.000 0.218 336 P C 1.402 178.698 177.300 -0.007 0.000 1.146 336 P CA 1.178 64.167 63.100 -0.186 0.000 0.813 336 P CB 0.261 31.785 31.700 -0.293 0.000 0.778 337 S N -2.439 113.260 115.700 -0.001 0.000 2.507 337 S HA -0.052 4.418 4.470 0.000 0.000 0.235 337 S C 1.029 175.670 174.600 0.068 0.000 0.988 337 S CA 0.442 58.676 58.200 0.056 0.000 0.944 337 S CB -1.078 62.159 63.200 0.061 0.000 0.762 337 S HN 0.066 nan 8.310 nan 0.000 0.526 338 N N 2.409 121.142 118.700 0.056 0.000 2.549 338 N HA 0.350 5.090 4.740 0.000 0.000 0.267 338 N C -0.984 174.610 175.510 0.140 0.000 1.182 338 N CA 0.560 53.646 53.050 0.060 0.000 1.019 338 N CB -0.088 38.411 38.487 0.021 0.000 1.380 338 N HN 0.553 nan 8.380 nan 0.000 0.505 339 M N 2.601 122.268 119.600 0.112 0.000 2.204 339 M HA 0.374 4.854 4.480 0.000 0.000 0.293 339 M C -2.363 173.906 176.300 -0.052 0.000 0.994 339 M CA -1.690 53.659 55.300 0.082 0.000 0.925 339 M CB 3.022 35.674 32.600 0.087 0.000 1.577 339 M HN 0.090 nan 8.290 nan 0.000 0.439 340 P HA 0.392 nan 4.420 nan 0.000 0.276 340 P C -2.819 174.370 177.300 -0.184 0.000 1.244 340 P CA -1.480 61.514 63.100 -0.177 0.000 0.801 340 P CB -0.314 31.240 31.700 -0.243 0.000 1.006 341 P HA 0.013 nan 4.420 nan 0.000 0.261 341 P C 1.025 178.254 177.300 -0.118 0.000 1.165 341 P CA 1.741 64.788 63.100 -0.088 0.000 0.759 341 P CB -0.287 31.374 31.700 -0.065 0.000 0.772 342 G N 2.511 111.266 108.800 -0.076 0.000 2.307 342 G HA2 -0.176 3.784 3.960 0.000 0.000 0.210 342 G HA3 -0.176 3.784 3.960 0.000 0.000 0.210 342 G C -0.051 174.826 174.900 -0.037 0.000 1.005 342 G CA -0.355 44.712 45.100 -0.055 0.000 0.634 342 G HN 0.490 nan 8.290 nan 0.000 0.496 343 I N 1.797 122.305 120.570 -0.103 0.000 2.418 343 I HA 0.573 4.743 4.170 0.000 0.000 0.287 343 I C -0.245 175.897 176.117 0.041 0.000 1.008 343 I CA -0.628 60.636 61.300 -0.059 0.000 1.104 343 I CB 1.784 39.579 38.000 -0.343 0.000 1.264 343 I HN 0.146 nan 8.210 nan 0.000 0.438 344 E N 3.714 124.017 120.200 0.171 0.000 2.423 344 E HA 0.763 5.113 4.350 0.000 0.000 0.269 344 E C -0.873 175.923 176.600 0.326 0.000 0.948 344 E CA -1.143 55.380 56.400 0.206 0.000 0.802 344 E CB 2.223 32.029 29.700 0.175 0.000 1.339 344 E HN 0.604 nan 8.360 nan 0.000 0.445 345 A N 0.850 123.809 122.820 0.232 0.000 2.286 345 A HA 0.508 4.828 4.320 0.000 0.000 0.286 345 A C 0.110 177.728 177.584 0.057 0.000 1.097 345 A CA -0.318 51.805 52.037 0.143 0.000 0.821 345 A CB 0.626 19.645 19.000 0.031 0.000 1.076 345 A HN 0.537 nan 8.150 nan 0.000 0.490 346 S N 0.293 115.923 115.700 -0.117 0.000 2.745 346 S HA 0.598 5.068 4.470 0.000 0.000 0.292 346 S C -2.476 171.859 174.600 -0.443 0.000 1.133 346 S CA -1.243 56.815 58.200 -0.238 0.000 0.998 346 S CB 1.001 63.962 63.200 -0.400 0.000 1.087 346 S HN 0.338 nan 8.310 nan 0.000 0.551 347 P HA 0.159 nan 4.420 nan 0.000 0.252 347 P C -0.518 176.511 177.300 -0.451 0.000 1.265 347 P CA 0.142 62.908 63.100 -0.557 0.000 0.775 347 P CB -0.319 31.061 31.700 -0.532 0.000 1.128 348 D N 0.635 120.761 120.400 -0.457 0.000 2.472 348 D HA -0.059 4.581 4.640 0.000 0.000 0.248 348 D C 1.068 177.263 176.300 -0.175 0.000 1.174 348 D CA 0.478 54.354 54.000 -0.208 0.000 0.883 348 D CB 0.806 41.491 40.800 -0.191 0.000 1.149 348 D HN 0.017 nan 8.370 nan 0.000 0.488 349 K N 3.397 123.750 120.400 -0.078 0.000 2.044 349 K HA -0.184 4.136 4.320 0.000 0.000 0.210 349 K C 2.053 178.613 176.600 -0.067 0.000 1.049 349 K CA 1.202 57.456 56.287 -0.056 0.000 0.927 349 K CB -0.063 32.442 32.500 0.008 0.000 0.713 349 K HN 0.516 nan 8.250 nan 0.000 0.443 350 M N 0.477 120.052 119.600 -0.042 0.000 2.065 350 M HA -0.168 4.312 4.480 0.000 0.000 0.259 350 M C 2.403 178.571 176.300 -0.220 0.000 1.071 350 M CA 1.355 56.634 55.300 -0.035 0.000 1.109 350 M CB -1.004 31.663 32.600 0.111 0.000 1.313 350 M HN 0.171 nan 8.290 nan 0.000 0.408 351 L N 1.030 121.931 121.223 -0.537 0.000 2.042 351 L HA -0.214 4.126 4.340 0.000 0.000 0.210 351 L C 2.504 179.161 176.870 -0.356 0.000 1.076 351 L CA 1.851 56.196 54.840 -0.826 0.000 0.749 351 L CB -0.829 40.591 42.059 -1.066 0.000 0.893 351 L HN 0.337 nan 8.230 nan 0.000 0.432 352 Q N -0.351 119.299 119.800 -0.250 0.000 2.135 352 Q HA -0.164 4.176 4.340 0.000 0.000 0.204 352 Q C 2.095 178.059 176.000 -0.061 0.000 0.981 352 Q CA 1.691 57.412 55.803 -0.138 0.000 0.856 352 Q CB -0.724 27.938 28.738 -0.126 0.000 0.902 352 Q HN 0.708 nan 8.270 nan 0.000 0.425 353 G N 0.633 109.399 108.800 -0.057 0.000 2.403 353 G HA2 -0.214 3.746 3.960 0.000 0.000 0.216 353 G HA3 -0.214 3.746 3.960 0.000 0.000 0.216 353 G C 1.485 176.422 174.900 0.063 0.000 1.154 353 G CA 0.165 45.273 45.100 0.014 0.000 0.784 353 G HN 0.270 nan 8.290 nan 0.000 0.538 354 R N -0.088 120.413 120.500 0.002 0.000 2.189 354 R HA 0.176 4.516 4.340 0.000 0.000 0.223 354 R C 2.352 178.736 176.300 0.141 0.000 1.092 354 R CA 0.219 56.394 56.100 0.124 0.000 0.989 354 R CB -0.341 30.006 30.300 0.078 0.000 0.876 354 R HN 0.310 nan 8.270 nan 0.000 0.457 355 L N -0.221 121.038 121.223 0.059 0.000 2.187 355 L HA -0.189 4.151 4.340 0.000 0.000 0.213 355 L C 2.022 178.984 176.870 0.154 0.000 1.100 355 L CA 1.207 56.092 54.840 0.076 0.000 0.765 355 L CB -0.255 41.835 42.059 0.052 0.000 0.904 355 L HN 0.203 nan 8.230 nan 0.000 0.437 356 F N -0.093 119.879 119.950 0.036 0.000 2.419 356 F HA 0.187 4.714 4.527 -0.000 0.000 0.283 356 F C 2.411 178.228 175.800 0.028 0.000 1.044 356 F CA 0.627 58.645 58.000 0.030 0.000 1.376 356 F CB -0.295 38.707 39.000 0.003 0.000 1.131 356 F HN -0.100 nan 8.300 nan 0.000 0.585 357 A N 0.482 123.211 122.820 -0.152 0.000 1.903 357 A HA -0.251 4.069 4.320 0.000 0.000 0.219 357 A C 2.007 179.306 177.584 -0.476 0.000 1.191 357 A CA 2.312 54.127 52.037 -0.370 0.000 0.638 357 A CB -1.646 17.214 19.000 -0.233 0.000 0.823 357 A HN 0.576 nan 8.150 nan 0.000 0.451 358 Y N 0.277 120.364 120.300 -0.356 0.000 2.089 358 Y HA -0.096 4.454 4.550 0.000 0.000 0.282 358 Y C 0.068 175.689 175.900 -0.464 0.000 1.139 358 Y CA 1.727 59.562 58.100 -0.443 0.000 1.123 358 Y CB -1.694 36.624 38.460 -0.238 0.000 0.980 358 Y HN 0.307 nan 8.280 nan 0.000 0.493 359 P HA -0.159 nan 4.420 nan 0.000 0.218 359 P C 0.816 178.010 177.300 -0.178 0.000 1.149 359 P CA 2.119 65.238 63.100 0.031 0.000 0.817 359 P CB 0.020 31.799 31.700 0.132 0.000 0.785 360 D N -0.541 119.632 120.400 -0.378 0.000 2.087 360 D HA -0.163 4.477 4.640 0.000 0.000 0.192 360 D C 2.155 178.270 176.300 -0.307 0.000 0.993 360 D CA 2.044 55.782 54.000 -0.436 0.000 0.828 360 D CB -0.803 39.424 40.800 -0.954 0.000 0.968 360 D HN -0.017 nan 8.370 nan 0.000 0.448 361 T N -1.925 112.396 114.554 -0.388 0.000 2.881 361 T HA -0.149 4.201 4.350 0.000 0.000 0.270 361 T C 1.603 176.173 174.700 -0.218 0.000 1.068 361 T CA 1.526 63.459 62.100 -0.279 0.000 1.131 361 T CB -0.465 68.188 68.868 -0.357 0.000 0.871 361 T HN 0.342 nan 8.240 nan 0.000 0.479 362 H N -0.264 118.594 119.070 -0.354 0.000 2.423 362 H HA 0.120 4.676 4.556 0.000 0.000 0.297 362 H C 2.586 177.540 175.328 -0.623 0.000 1.075 362 H CA 0.846 56.508 56.048 -0.643 0.000 1.342 362 H CB 0.177 29.224 29.762 -1.190 0.000 1.395 362 H HN 0.236 nan 8.280 nan 0.000 0.530 363 R N -0.648 119.695 120.500 -0.261 0.000 2.189 363 R HA -0.121 4.219 4.340 0.000 0.000 0.223 363 R C 1.866 178.165 176.300 -0.003 0.000 1.092 363 R CA 1.188 57.256 56.100 -0.053 0.000 0.989 363 R CB -0.040 30.281 30.300 0.035 0.000 0.876 363 R HN 0.458 nan 8.270 nan 0.000 0.457 364 H N 0.291 119.299 119.070 -0.104 0.000 2.320 364 H HA 0.083 4.639 4.556 -0.000 0.000 0.309 364 H C 2.127 177.425 175.328 -0.050 0.000 1.057 364 H CA 1.398 57.408 56.048 -0.063 0.000 1.374 364 H CB 0.127 29.846 29.762 -0.072 0.000 1.421 364 H HN -0.069 nan 8.280 nan 0.000 0.532 365 R N -0.134 120.245 120.500 -0.202 0.000 2.073 365 R HA -0.062 4.278 4.340 0.000 0.000 0.234 365 R C 1.914 178.120 176.300 -0.158 0.000 1.134 365 R CA 2.032 58.008 56.100 -0.207 0.000 0.952 365 R CB -0.146 30.136 30.300 -0.032 0.000 0.850 365 R HN 0.424 nan 8.270 nan 0.000 0.433 366 L N -1.548 119.602 121.223 -0.122 0.000 2.269 366 L HA 0.344 4.684 4.340 0.000 0.000 0.200 366 L C 0.885 177.749 176.870 -0.010 0.000 1.069 366 L CA 0.371 55.175 54.840 -0.061 0.000 0.804 366 L CB 0.265 42.296 42.059 -0.048 0.000 0.987 366 L HN 0.512 nan 8.230 nan 0.000 0.468 367 G N -1.713 107.090 108.800 0.005 0.000 2.333 367 G HA2 -0.001 3.959 3.960 0.000 0.000 0.330 367 G HA3 -0.001 3.959 3.960 0.000 0.000 0.330 367 G C -2.664 172.312 174.900 0.127 0.000 1.465 367 G CA -0.789 44.340 45.100 0.049 0.000 0.996 367 G HN -0.257 nan 8.290 nan 0.000 0.655 368 P HA -0.114 nan 4.420 nan 0.000 0.218 368 P C 1.022 178.393 177.300 0.118 0.000 1.154 368 P CA 1.327 64.498 63.100 0.119 0.000 0.872 368 P CB 0.153 31.899 31.700 0.078 0.000 0.790 369 N N -1.179 117.560 118.700 0.066 0.000 2.451 369 N HA 0.039 4.779 4.740 0.000 0.000 0.264 369 N C 0.865 176.298 175.510 -0.128 0.000 1.167 369 N CA -0.160 52.837 53.050 -0.089 0.000 0.898 369 N CB -0.440 38.066 38.487 0.031 0.000 1.176 369 N HN 0.385 nan 8.380 nan 0.000 0.507 370 Y N -1.041 119.186 120.300 -0.123 0.000 2.465 370 Y HA -0.004 4.546 4.550 0.000 0.000 0.289 370 Y C 1.411 177.219 175.900 -0.154 0.000 1.150 370 Y CA 0.725 58.755 58.100 -0.117 0.000 1.293 370 Y CB -0.362 38.032 38.460 -0.111 0.000 0.977 370 Y HN 0.025 nan 8.280 nan 0.000 0.556 371 L N 0.274 120.998 121.223 -0.831 0.000 2.610 371 L HA -0.045 4.295 4.340 0.000 0.000 0.232 371 L C 1.514 178.200 176.870 -0.308 0.000 1.149 371 L CA 0.294 54.743 54.840 -0.652 0.000 0.872 371 L CB -0.488 41.148 42.059 -0.704 0.000 0.992 371 L HN 0.387 nan 8.230 nan 0.000 0.447 372 H N -0.606 118.379 119.070 -0.142 0.000 2.595 372 H HA 0.250 4.806 4.556 0.000 0.000 0.265 372 H C 0.946 176.244 175.328 -0.051 0.000 0.953 372 H CA -0.279 55.723 56.048 -0.076 0.000 1.197 372 H CB 0.255 29.985 29.762 -0.053 0.000 1.438 372 H HN 0.159 nan 8.280 nan 0.000 0.531 373 I N 3.115 123.718 120.570 0.055 0.000 2.741 373 I HA -0.079 4.091 4.170 0.000 0.000 0.288 373 I C -1.091 175.032 176.117 0.011 0.000 1.192 373 I CA -1.072 60.246 61.300 0.030 0.000 1.426 373 I CB 0.644 38.649 38.000 0.007 0.000 1.367 373 I HN -0.049 nan 8.210 nan 0.000 0.563 374 P HA -0.267 nan 4.420 nan 0.000 0.216 374 P C 1.698 178.992 177.300 -0.010 0.000 1.167 374 P CA 1.736 64.814 63.100 -0.036 0.000 0.933 374 P CB -0.071 31.581 31.700 -0.079 0.000 0.793 375 V N -2.688 117.224 119.914 -0.004 0.000 2.660 375 V HA -0.224 3.896 4.120 0.000 0.000 0.257 375 V C 1.573 177.754 176.094 0.145 0.000 1.088 375 V CA 2.292 64.643 62.300 0.084 0.000 1.106 375 V CB -1.461 30.403 31.823 0.067 0.000 0.686 375 V HN 0.100 nan 8.190 nan 0.000 0.481 376 N N -0.786 117.937 118.700 0.038 0.000 2.356 376 N HA 0.103 4.843 4.740 0.000 0.000 0.178 376 N C 0.779 176.315 175.510 0.043 0.000 1.075 376 N CA 0.693 53.728 53.050 -0.025 0.000 0.889 376 N CB -0.083 38.330 38.487 -0.122 0.000 0.999 376 N HN 0.576 nan 8.380 nan 0.000 0.464 377 C N 4.538 123.904 119.300 0.110 0.000 2.634 377 C HA 0.132 4.592 4.460 0.000 0.000 0.418 377 C C -1.821 173.322 174.990 0.254 0.000 1.373 377 C CA -1.133 57.964 59.018 0.132 0.000 1.756 377 C CB 0.071 27.883 27.740 0.119 0.000 2.589 377 C HN 0.252 nan 8.230 nan 0.000 0.602 378 P HA 0.111 nan 4.420 nan 0.000 0.231 378 P C -0.156 177.203 177.300 0.098 0.000 1.811 378 P CA 0.052 63.228 63.100 0.127 0.000 1.051 378 P CB -0.539 31.176 31.700 0.025 0.000 1.951 379 Y N 1.222 121.558 120.300 0.060 0.000 2.639 379 Y HA 0.040 4.590 4.550 -0.000 0.000 0.297 379 Y C 1.545 177.434 175.900 -0.018 0.000 1.151 379 Y CA 0.340 58.425 58.100 -0.024 0.000 1.335 379 Y CB -0.504 37.889 38.460 -0.111 0.000 0.994 379 Y HN -0.045 nan 8.280 nan 0.000 0.548 380 R N 0.861 121.192 120.500 -0.282 0.000 2.334 380 R HA 0.448 4.788 4.340 0.000 0.000 0.216 380 R C 0.425 176.678 176.300 -0.078 0.000 0.905 380 R CA 0.554 56.544 56.100 -0.182 0.000 1.064 380 R CB 0.176 30.320 30.300 -0.260 0.000 1.046 380 R HN 0.394 nan 8.270 nan 0.000 0.508 381 A N 1.485 124.272 122.820 -0.055 0.000 2.282 381 A HA 0.633 4.953 4.320 0.000 0.000 0.324 381 A C -0.426 177.147 177.584 -0.018 0.000 1.119 381 A CA -0.629 51.388 52.037 -0.035 0.000 0.880 381 A CB 1.032 20.011 19.000 -0.035 0.000 1.294 381 A HN 0.059 nan 8.150 nan 0.000 0.493 382 R N 0.826 121.312 120.500 -0.023 0.000 2.335 382 R HA 0.472 4.812 4.340 0.000 0.000 0.302 382 R C -1.536 174.745 176.300 -0.032 0.000 1.147 382 R CA -0.261 55.825 56.100 -0.024 0.000 1.111 382 R CB -0.309 29.976 30.300 -0.026 0.000 1.122 382 R HN 0.396 nan 8.270 nan 0.000 0.557 383 V N 2.906 122.804 119.914 -0.027 0.000 2.655 383 V HA 0.558 4.678 4.120 0.000 0.000 0.300 383 V C 0.240 176.298 176.094 -0.060 0.000 1.044 383 V CA 0.497 62.775 62.300 -0.036 0.000 1.095 383 V CB 0.946 32.760 31.823 -0.015 0.000 0.952 383 V HN 0.858 nan 8.190 nan 0.000 0.485 384 A N 4.809 127.577 122.820 -0.086 0.000 2.500 384 A HA 0.757 5.077 4.320 0.000 0.000 0.288 384 A C -0.603 176.862 177.584 -0.198 0.000 1.045 384 A CA -0.657 51.296 52.037 -0.139 0.000 0.830 384 A CB 1.206 20.131 19.000 -0.125 0.000 1.337 384 A HN 1.046 nan 8.150 nan 0.000 0.400 385 N N -0.308 118.222 118.700 -0.282 0.000 3.449 385 N HA 0.438 5.178 4.740 0.000 0.000 0.312 385 N C -0.737 174.433 175.510 -0.566 0.000 1.582 385 N CA -0.653 52.192 53.050 -0.342 0.000 0.850 385 N CB 0.278 38.699 38.487 -0.110 0.000 1.822 385 N HN 0.213 nan 8.380 nan 0.000 0.577 386 Y N -0.599 119.672 120.300 -0.048 0.000 2.607 386 Y HA 0.392 4.942 4.550 -0.000 0.000 0.266 386 Y C 0.027 175.943 175.900 0.026 0.000 1.178 386 Y CA -0.424 57.676 58.100 -0.001 0.000 1.226 386 Y CB 0.145 38.618 38.460 0.023 0.000 1.144 386 Y HN 0.234 nan 8.280 nan 0.000 0.528 387 Q N 1.313 121.154 119.800 0.068 0.000 2.293 387 Q HA 0.457 4.797 4.340 0.000 0.000 0.251 387 Q C -0.142 175.891 176.000 0.055 0.000 0.930 387 Q CA -0.280 55.565 55.803 0.069 0.000 0.893 387 Q CB 1.061 29.825 28.738 0.042 0.000 1.215 387 Q HN 0.101 nan 8.270 nan 0.000 0.425 388 R N 1.501 122.042 120.500 0.069 0.000 2.764 388 R HA 0.342 4.682 4.340 0.000 0.000 0.270 388 R C -0.672 175.666 176.300 0.064 0.000 1.014 388 R CA -0.699 55.438 56.100 0.061 0.000 0.904 388 R CB 0.938 31.276 30.300 0.064 0.000 1.236 388 R HN 0.695 nan 8.270 nan 0.000 0.466 389 D N -0.069 120.366 120.400 0.057 0.000 3.301 389 D HA -0.151 4.489 4.640 0.000 0.000 0.217 389 D C 0.379 176.719 176.300 0.067 0.000 1.548 389 D CA 2.149 56.183 54.000 0.056 0.000 1.118 389 D CB -1.038 39.792 40.800 0.050 0.000 0.684 389 D HN 0.920 nan 8.370 nan 0.000 0.821 390 G N -1.266 107.569 108.800 0.059 0.000 2.692 390 G HA2 0.189 4.149 3.960 0.000 0.000 0.686 390 G HA3 0.189 4.149 3.960 0.000 0.000 0.686 390 G C -2.818 172.118 174.900 0.061 0.000 1.243 390 G CA -0.376 44.760 45.100 0.061 0.000 0.782 390 G HN 0.573 nan 8.290 nan 0.000 0.625 391 P HA 0.325 nan 4.420 nan 0.000 0.268 391 P C 0.647 177.985 177.300 0.063 0.000 1.204 391 P CA 0.313 63.444 63.100 0.052 0.000 0.768 391 P CB 0.684 32.410 31.700 0.045 0.000 0.842 392 M N -0.676 118.957 119.600 0.055 0.000 2.347 392 M HA -0.147 4.333 4.480 0.000 0.000 0.198 392 M C -0.079 176.270 176.300 0.082 0.000 0.549 392 M CA -0.007 55.330 55.300 0.061 0.000 0.481 392 M CB -2.668 29.972 32.600 0.067 0.000 1.393 392 M HN 0.480 nan 8.290 nan 0.000 0.905 393 C N 1.707 121.046 119.300 0.064 0.000 2.627 393 C HA 0.256 4.716 4.460 0.000 0.000 0.404 393 C C 1.931 176.913 174.990 -0.013 0.000 1.340 393 C CA -0.352 58.700 59.018 0.057 0.000 1.758 393 C CB 0.135 27.895 27.740 0.034 0.000 2.501 393 C HN 0.654 nan 8.230 nan 0.000 0.588 394 M N 3.193 122.738 119.600 -0.092 0.000 2.466 394 M HA 0.127 4.607 4.480 0.000 0.000 0.265 394 M C 1.317 177.519 176.300 -0.163 0.000 1.122 394 M CA 1.170 56.395 55.300 -0.125 0.000 1.157 394 M CB -0.901 31.627 32.600 -0.120 0.000 1.352 394 M HN 0.749 nan 8.290 nan 0.000 0.464 395 Q N 0.522 120.172 119.800 -0.251 0.000 2.514 395 Q HA 0.079 4.419 4.340 0.000 0.000 0.169 395 Q C 1.092 177.021 176.000 -0.119 0.000 1.027 395 Q CA 0.082 55.775 55.803 -0.182 0.000 0.988 395 Q CB 0.060 28.666 28.738 -0.220 0.000 2.123 395 Q HN 0.271 nan 8.270 nan 0.000 0.480 396 D N -0.353 119.989 120.400 -0.097 0.000 2.378 396 D HA -0.131 4.509 4.640 0.000 0.000 0.227 396 D C -0.260 176.005 176.300 -0.059 0.000 1.012 396 D CA 0.620 54.580 54.000 -0.067 0.000 0.905 396 D CB -0.240 40.526 40.800 -0.058 0.000 0.895 396 D HN 0.543 nan 8.370 nan 0.000 0.532 397 N N 1.216 119.871 118.700 -0.076 0.000 2.725 397 N HA -0.276 4.464 4.740 0.000 0.000 0.249 397 N C -0.727 174.759 175.510 -0.041 0.000 1.103 397 N CA 1.079 54.100 53.050 -0.049 0.000 0.707 397 N CB -1.508 36.965 38.487 -0.022 0.000 1.043 397 N HN 0.450 nan 8.380 nan 0.000 0.553 398 Q N -3.337 116.428 119.800 -0.058 0.000 2.494 398 Q HA -0.226 4.114 4.340 0.000 0.000 0.272 398 Q C 1.203 177.174 176.000 -0.049 0.000 1.145 398 Q CA 1.057 56.823 55.803 -0.063 0.000 0.943 398 Q CB -1.916 26.773 28.738 -0.082 0.000 1.338 398 Q HN 0.937 nan 8.270 nan 0.000 0.492 399 G N -0.221 108.555 108.800 -0.040 0.000 2.698 399 G HA2 -0.391 3.569 3.960 0.000 0.000 0.337 399 G HA3 -0.391 3.569 3.960 0.000 0.000 0.337 399 G C 0.621 175.508 174.900 -0.021 0.000 1.286 399 G CA 0.689 45.771 45.100 -0.030 0.000 1.000 399 G HN 0.931 nan 8.290 nan 0.000 0.547 400 G N 0.416 109.204 108.800 -0.021 0.000 3.277 400 G HA2 0.645 4.605 3.960 0.000 0.000 0.243 400 G HA3 0.645 4.605 3.960 0.000 0.000 0.243 400 G C 0.766 175.659 174.900 -0.012 0.000 1.107 400 G CA 1.140 46.232 45.100 -0.014 0.000 0.771 400 G HN 1.798 nan 8.290 nan 0.000 0.544 401 A N 1.144 123.953 122.820 -0.020 0.000 2.586 401 A HA 0.415 4.735 4.320 0.000 0.000 0.231 401 A C -1.894 175.698 177.584 0.013 0.000 1.055 401 A CA -0.433 51.593 52.037 -0.019 0.000 0.756 401 A CB -0.137 18.829 19.000 -0.056 0.000 0.988 401 A HN 0.196 nan 8.150 nan 0.000 0.509 402 P HA 0.020 nan 4.420 nan 0.000 0.262 402 P C 0.186 177.576 177.300 0.149 0.000 1.182 402 P CA 0.418 63.565 63.100 0.077 0.000 0.761 402 P CB 0.196 31.904 31.700 0.012 0.000 0.795 403 N N 2.080 120.946 118.700 0.276 0.000 2.251 403 N HA 0.030 4.770 4.740 0.000 0.000 0.217 403 N C -0.631 175.203 175.510 0.540 0.000 1.124 403 N CA -0.568 52.708 53.050 0.377 0.000 0.843 403 N CB -0.072 38.566 38.487 0.251 0.000 1.024 403 N HN 0.382 nan 8.380 nan 0.000 0.501 404 Y N -2.131 118.372 120.300 0.338 0.000 2.462 404 Y HA 0.616 5.166 4.550 -0.000 0.000 0.346 404 Y C -1.655 174.129 175.900 -0.194 0.000 0.976 404 Y CA -1.908 56.234 58.100 0.070 0.000 1.044 404 Y CB 0.702 39.205 38.460 0.072 0.000 1.230 404 Y HN -0.056 nan 8.280 nan 0.000 0.455 405 Y N 5.518 125.484 120.300 -0.557 0.000 2.376 405 Y HA 0.698 5.248 4.550 -0.000 0.000 0.340 405 Y C -2.334 173.436 175.900 -0.217 0.000 0.965 405 Y CA -2.746 54.960 58.100 -0.657 0.000 1.078 405 Y CB 1.583 39.388 38.460 -1.092 0.000 1.193 405 Y HN 0.787 nan 8.280 nan 0.000 0.452 406 P HA 0.381 nan 4.420 nan 0.000 0.277 406 P C -1.765 175.389 177.300 -0.243 0.000 1.276 406 P CA -0.446 62.255 63.100 -0.665 0.000 0.788 406 P CB 1.288 32.657 31.700 -0.550 0.000 1.114 407 N N -3.758 114.819 118.700 -0.206 0.000 2.935 407 N HA 0.148 4.888 4.740 0.000 0.000 0.248 407 N C -0.556 174.860 175.510 -0.156 0.000 1.276 407 N CA -0.803 52.166 53.050 -0.135 0.000 0.906 407 N CB 0.382 38.603 38.487 -0.443 0.000 1.564 407 N HN 0.038 nan 8.380 nan 0.000 0.500 408 S N -0.182 115.335 115.700 -0.306 0.000 2.593 408 S HA 0.182 4.652 4.470 0.000 0.000 0.217 408 S C -0.118 174.161 174.600 -0.534 0.000 0.966 408 S CA -0.092 57.837 58.200 -0.452 0.000 0.914 408 S CB -0.631 62.225 63.200 -0.573 0.000 0.776 408 S HN 0.522 nan 8.310 nan 0.000 0.523 409 F N 1.598 121.556 119.950 0.014 0.000 2.713 409 F HA 0.363 4.890 4.527 -0.000 0.000 0.294 409 F C 1.584 177.393 175.800 0.015 0.000 1.152 409 F CA -0.799 57.212 58.000 0.019 0.000 1.385 409 F CB -0.626 38.391 39.000 0.029 0.000 0.981 409 F HN 0.221 nan 8.300 nan 0.000 0.514 410 G N 0.743 109.601 108.800 0.096 0.000 2.305 410 G HA2 -0.149 3.811 3.960 0.000 0.000 0.287 410 G HA3 -0.149 3.811 3.960 0.000 0.000 0.287 410 G C 0.619 175.581 174.900 0.103 0.000 1.036 410 G CA 0.067 45.220 45.100 0.088 0.000 0.887 410 G HN 0.726 nan 8.290 nan 0.000 0.505 411 A N -0.024 122.882 122.820 0.143 0.000 2.260 411 A HA 0.772 5.092 4.320 0.000 0.000 0.278 411 A C -1.247 176.416 177.584 0.132 0.000 1.269 411 A CA -0.663 51.452 52.037 0.130 0.000 0.824 411 A CB -0.035 19.100 19.000 0.226 0.000 1.238 411 A HN 0.292 nan 8.150 nan 0.000 0.507 412 P HA 0.169 nan 4.420 nan 0.000 0.264 412 P C -0.578 176.783 177.300 0.102 0.000 1.193 412 P CA 0.376 63.476 63.100 0.001 0.000 0.763 412 P CB 0.392 31.993 31.700 -0.165 0.000 0.810 413 E N 2.079 122.333 120.200 0.090 0.000 2.222 413 E HA 0.141 4.491 4.350 0.000 0.000 0.272 413 E C 0.131 176.768 176.600 0.063 0.000 0.982 413 E CA -0.619 55.873 56.400 0.154 0.000 0.842 413 E CB 1.169 30.956 29.700 0.145 0.000 1.144 413 E HN 0.475 nan 8.360 nan 0.000 0.397 414 Q N 0.979 120.847 119.800 0.114 0.000 2.293 414 Q HA 0.159 4.499 4.340 0.000 0.000 0.251 414 Q C -0.495 175.544 176.000 0.066 0.000 0.930 414 Q CA -0.479 55.362 55.803 0.063 0.000 0.893 414 Q CB 0.671 29.481 28.738 0.120 0.000 1.215 414 Q HN 0.393 nan 8.270 nan 0.000 0.425 415 Q N 1.891 121.712 119.800 0.035 0.000 2.348 415 Q HA 0.356 4.696 4.340 0.000 0.000 0.265 415 Q C -2.332 173.684 176.000 0.025 0.000 0.998 415 Q CA -2.175 53.645 55.803 0.029 0.000 0.831 415 Q CB 1.546 30.292 28.738 0.013 0.000 1.251 415 Q HN 0.409 nan 8.270 nan 0.000 0.456 416 P HA -0.188 nan 4.420 nan 0.000 0.221 416 P C 0.706 178.015 177.300 0.015 0.000 1.141 416 P CA 1.259 64.374 63.100 0.024 0.000 0.794 416 P CB 0.345 32.058 31.700 0.022 0.000 0.764 417 S N -0.189 115.515 115.700 0.008 0.000 2.356 417 S HA -0.124 4.346 4.470 0.000 0.000 0.223 417 S C 1.906 176.505 174.600 -0.002 0.000 1.032 417 S CA 1.310 59.510 58.200 -0.001 0.000 1.005 417 S CB -0.880 62.316 63.200 -0.007 0.000 0.867 417 S HN 0.221 nan 8.310 nan 0.000 0.449 418 A N 0.744 123.565 122.820 0.000 0.000 2.255 418 A HA 0.252 4.572 4.320 0.000 0.000 0.206 418 A C 0.567 178.159 177.584 0.014 0.000 1.193 418 A CA -0.051 51.986 52.037 -0.000 0.000 0.794 418 A CB -0.455 18.541 19.000 -0.005 0.000 0.794 418 A HN 0.322 nan 8.150 nan 0.000 0.481 419 L N 0.989 122.226 121.223 0.022 0.000 2.485 419 L HA 0.182 4.522 4.340 0.000 0.000 0.275 419 L C 0.225 177.124 176.870 0.048 0.000 1.207 419 L CA 0.163 55.024 54.840 0.036 0.000 0.855 419 L CB 0.228 42.309 42.059 0.037 0.000 1.114 419 L HN 0.374 nan 8.230 nan 0.000 0.485 420 E N 2.521 122.760 120.200 0.065 0.000 2.392 420 E HA 0.114 4.464 4.350 0.000 0.000 0.259 420 E C -0.382 176.305 176.600 0.145 0.000 1.108 420 E CA -0.055 56.401 56.400 0.094 0.000 0.916 420 E CB 0.180 29.935 29.700 0.092 0.000 0.989 420 E HN 0.557 nan 8.360 nan 0.000 0.432 421 H N 0.554 119.649 119.070 0.041 0.000 2.848 421 H HA 0.078 4.634 4.556 0.000 0.000 0.341 421 H C -0.389 174.974 175.328 0.059 0.000 1.060 421 H CA -0.278 55.791 56.048 0.036 0.000 1.444 421 H CB 0.710 30.495 29.762 0.038 0.000 1.446 421 H HN 0.317 nan 8.280 nan 0.000 0.583 422 S N 4.645 120.430 115.700 0.143 0.000 2.578 422 S HA 0.562 5.032 4.470 0.000 0.000 0.283 422 S C -0.641 173.828 174.600 -0.218 0.000 1.195 422 S CA -0.618 57.573 58.200 -0.014 0.000 1.050 422 S CB 0.407 63.642 63.200 0.057 0.000 1.012 422 S HN 0.602 nan 8.310 nan 0.000 0.511 423 I N 2.324 122.806 120.570 -0.145 0.000 2.842 423 I HA 0.282 4.452 4.170 0.000 0.000 0.297 423 I C -0.789 175.195 176.117 -0.222 0.000 1.380 423 I CA -0.663 60.494 61.300 -0.237 0.000 1.018 423 I CB 2.449 40.225 38.000 -0.374 0.000 1.311 423 I HN 0.569 nan 8.210 nan 0.000 0.439 424 Q N 3.213 122.865 119.800 -0.247 0.000 2.245 424 Q HA 0.555 4.895 4.340 0.000 0.000 0.256 424 Q C -1.981 173.841 176.000 -0.297 0.000 0.942 424 Q CA -0.396 55.322 55.803 -0.140 0.000 0.896 424 Q CB 1.618 30.328 28.738 -0.047 0.000 1.272 424 Q HN 0.459 nan 8.270 nan 0.000 0.442 425 Y N 0.247 120.561 120.300 0.023 0.000 2.485 425 Y HA 0.431 4.981 4.550 0.000 0.000 0.345 425 Y C -0.222 175.686 175.900 0.012 0.000 0.998 425 Y CA -0.845 57.264 58.100 0.015 0.000 1.059 425 Y CB 2.486 40.947 38.460 0.002 0.000 1.234 425 Y HN 0.512 nan 8.280 nan 0.000 0.461 426 S N 1.294 117.085 115.700 0.152 0.000 2.554 426 S HA 0.767 5.237 4.470 0.000 0.000 0.278 426 S C 0.137 174.776 174.600 0.065 0.000 1.242 426 S CA -0.050 58.200 58.200 0.084 0.000 1.051 426 S CB 1.115 64.343 63.200 0.046 0.000 0.986 426 S HN 1.124 nan 8.310 nan 0.000 0.502 427 G N 2.263 111.109 108.800 0.077 0.000 2.479 427 G HA2 0.017 3.977 3.960 0.000 0.000 0.686 427 G HA3 0.017 3.977 3.960 0.000 0.000 0.686 427 G C -1.215 173.782 174.900 0.163 0.000 1.295 427 G CA -0.877 44.289 45.100 0.111 0.000 0.922 427 G HN 0.726 nan 8.290 nan 0.000 0.582 428 E N -1.388 118.969 120.200 0.262 0.000 2.254 428 E HA 0.652 5.002 4.350 0.000 0.000 0.261 428 E C -0.441 176.302 176.600 0.239 0.000 1.051 428 E CA -1.063 55.454 56.400 0.195 0.000 0.902 428 E CB 2.151 31.931 29.700 0.133 0.000 1.168 428 E HN 0.461 nan 8.360 nan 0.000 0.423 429 V N 2.106 122.095 119.914 0.125 0.000 2.372 429 V HA 0.331 4.451 4.120 0.000 0.000 0.261 429 V C -0.009 176.101 176.094 0.028 0.000 1.055 429 V CA 0.087 62.447 62.300 0.099 0.000 0.930 429 V CB -0.920 30.931 31.823 0.048 0.000 1.031 429 V HN 0.711 nan 8.190 nan 0.000 0.479 430 R N 3.549 124.051 120.500 0.005 0.000 2.829 430 R HA 0.518 4.858 4.340 0.000 0.000 0.284 430 R C -1.245 174.925 176.300 -0.216 0.000 1.006 430 R CA -1.271 54.733 56.100 -0.161 0.000 0.844 430 R CB 1.133 31.252 30.300 -0.303 0.000 1.309 430 R HN 0.355 nan 8.270 nan 0.000 0.494 431 R N 0.641 121.007 120.500 -0.224 0.000 2.316 431 R HA 0.288 4.628 4.340 0.000 0.000 0.314 431 R C -0.937 175.199 176.300 -0.274 0.000 1.069 431 R CA -0.015 56.006 56.100 -0.133 0.000 0.959 431 R CB 0.262 30.517 30.300 -0.076 0.000 0.987 431 R HN 0.276 nan 8.270 nan 0.000 0.446 432 F N 1.664 121.619 119.950 0.008 0.000 2.388 432 F HA 0.201 4.728 4.527 0.000 0.000 0.358 432 F C 0.931 176.742 175.800 0.019 0.000 1.122 432 F CA -0.728 57.281 58.000 0.015 0.000 1.056 432 F CB 1.211 40.222 39.000 0.019 0.000 1.155 432 F HN 0.492 nan 8.300 nan 0.000 0.461 433 N N 1.544 120.333 118.700 0.149 0.000 2.447 433 N HA 0.003 4.743 4.740 0.000 0.000 0.263 433 N C 0.565 176.146 175.510 0.119 0.000 1.226 433 N CA 0.191 53.303 53.050 0.103 0.000 0.906 433 N CB 0.636 39.161 38.487 0.062 0.000 1.060 433 N HN 0.777 nan 8.380 nan 0.000 0.468 434 T N 0.067 114.678 114.554 0.095 0.000 3.174 434 T HA 0.263 4.613 4.350 0.000 0.000 0.269 434 T C 1.185 175.919 174.700 0.056 0.000 1.017 434 T CA -0.282 61.867 62.100 0.082 0.000 0.899 434 T CB 0.514 69.433 68.868 0.085 0.000 1.077 434 T HN 0.435 nan 8.240 nan 0.000 0.552 435 A N 1.864 124.712 122.820 0.046 0.000 2.168 435 A HA 0.087 4.407 4.320 0.000 0.000 0.215 435 A C 2.155 179.752 177.584 0.022 0.000 1.152 435 A CA 0.623 52.675 52.037 0.025 0.000 0.716 435 A CB -0.595 18.415 19.000 0.016 0.000 0.794 435 A HN 0.433 nan 8.150 nan 0.000 0.465 436 N N 0.710 119.431 118.700 0.035 0.000 2.409 436 N HA -0.016 4.724 4.740 0.000 0.000 0.179 436 N C -0.310 175.223 175.510 0.038 0.000 1.032 436 N CA 0.380 53.451 53.050 0.035 0.000 0.898 436 N CB -0.330 38.184 38.487 0.044 0.000 0.971 436 N HN 0.536 nan 8.380 nan 0.000 0.441 437 D N 0.697 121.122 120.400 0.043 0.000 2.423 437 D HA -0.057 4.583 4.640 0.000 0.000 0.238 437 D C 0.103 176.420 176.300 0.029 0.000 1.142 437 D CA 0.304 54.334 54.000 0.050 0.000 0.884 437 D CB 0.571 41.401 40.800 0.050 0.000 1.199 437 D HN 0.093 nan 8.370 nan 0.000 0.438 438 D N 0.948 121.378 120.400 0.051 0.000 2.506 438 D HA -0.095 4.545 4.640 0.000 0.000 0.234 438 D C 0.055 176.310 176.300 -0.075 0.000 1.143 438 D CA 0.294 54.302 54.000 0.013 0.000 0.871 438 D CB 0.616 41.461 40.800 0.075 0.000 1.190 438 D HN 0.287 nan 8.370 nan 0.000 0.459 439 N N 1.868 120.527 118.700 -0.069 0.000 2.166 439 N HA 0.018 4.758 4.740 0.000 0.000 0.213 439 N C 0.959 176.409 175.510 -0.099 0.000 1.222 439 N CA 0.294 53.291 53.050 -0.087 0.000 0.900 439 N CB 1.076 39.523 38.487 -0.067 0.000 1.055 439 N HN 0.407 nan 8.380 nan 0.000 0.515 440 V N -4.145 115.718 119.914 -0.085 0.000 3.350 440 V HA 0.213 4.333 4.120 0.000 0.000 0.246 440 V C 1.931 177.986 176.094 -0.064 0.000 1.363 440 V CA 0.400 62.663 62.300 -0.062 0.000 1.162 440 V CB -0.229 31.586 31.823 -0.013 0.000 0.947 440 V HN -0.144 nan 8.190 nan 0.000 0.454 441 T N 1.246 115.775 114.554 -0.041 0.000 2.565 441 T HA -0.349 4.001 4.350 0.000 0.000 0.265 441 T C 1.916 176.602 174.700 -0.023 0.000 1.082 441 T CA 3.003 65.120 62.100 0.028 0.000 1.173 441 T CB -0.484 68.517 68.868 0.221 0.000 0.864 441 T HN 0.616 nan 8.240 nan 0.000 0.425 442 Q N 0.041 119.738 119.800 -0.172 0.000 2.224 442 Q HA -0.051 4.289 4.340 0.000 0.000 0.203 442 Q C 2.572 178.399 176.000 -0.288 0.000 0.970 442 Q CA 0.951 56.635 55.803 -0.199 0.000 0.865 442 Q CB -0.272 28.290 28.738 -0.294 0.000 0.922 442 Q HN 0.423 nan 8.270 nan 0.000 0.445 443 V N 0.671 120.375 119.914 -0.350 0.000 2.307 443 V HA -0.265 3.855 4.120 0.000 0.000 0.245 443 V C 2.277 178.424 176.094 0.089 0.000 1.045 443 V CA 1.961 64.147 62.300 -0.191 0.000 1.024 443 V CB -0.641 31.130 31.823 -0.086 0.000 0.651 443 V HN 0.312 nan 8.190 nan 0.000 0.449 444 R N 0.464 121.013 120.500 0.080 0.000 2.081 444 R HA -0.170 4.170 4.340 0.000 0.000 0.235 444 R C 2.337 178.737 176.300 0.166 0.000 1.131 444 R CA 1.608 57.804 56.100 0.161 0.000 0.960 444 R CB -0.486 29.881 30.300 0.112 0.000 0.856 444 R HN 0.486 nan 8.270 nan 0.000 0.436 445 A N 0.707 123.595 122.820 0.113 0.000 1.873 445 A HA -0.243 4.077 4.320 0.000 0.000 0.218 445 A C 2.009 179.676 177.584 0.138 0.000 1.193 445 A CA 1.625 53.729 52.037 0.110 0.000 0.629 445 A CB -0.949 18.115 19.000 0.107 0.000 0.826 445 A HN 0.545 nan 8.150 nan 0.000 0.447 446 F N -1.109 118.863 119.950 0.036 0.000 2.134 446 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 446 F C 2.142 177.968 175.800 0.043 0.000 1.097 446 F CA 1.859 59.896 58.000 0.063 0.000 1.264 446 F CB -0.608 38.463 39.000 0.119 0.000 1.001 446 F HN 0.391 nan 8.300 nan 0.000 0.479 447 Y N -0.454 119.814 120.300 -0.053 0.000 2.089 447 Y HA -0.240 4.310 4.550 0.000 0.000 0.282 447 Y C 2.528 178.290 175.900 -0.231 0.000 1.139 447 Y CA 2.315 60.273 58.100 -0.237 0.000 1.123 447 Y CB -0.679 37.645 38.460 -0.228 0.000 0.980 447 Y HN -0.029 nan 8.280 nan 0.000 0.493 448 V N 0.240 120.097 119.914 -0.096 0.000 2.535 448 V HA -0.187 3.933 4.120 0.000 0.000 0.246 448 V C 1.200 177.203 176.094 -0.151 0.000 1.045 448 V CA 2.365 64.584 62.300 -0.135 0.000 1.058 448 V CB -0.430 31.435 31.823 0.070 0.000 0.689 448 V HN 0.573 nan 8.190 nan 0.000 0.461 449 N N -0.500 118.133 118.700 -0.112 0.000 2.324 449 N HA -0.014 4.726 4.740 0.000 0.000 0.192 449 N C 1.636 177.057 175.510 -0.149 0.000 1.046 449 N CA 1.134 54.126 53.050 -0.097 0.000 0.898 449 N CB -0.163 38.305 38.487 -0.032 0.000 1.079 449 N HN 0.258 nan 8.380 nan 0.000 0.456 450 V N 2.016 121.828 119.914 -0.171 0.000 2.546 450 V HA -0.123 3.997 4.120 0.000 0.000 0.254 450 V C 0.880 176.773 176.094 -0.336 0.000 1.076 450 V CA 1.252 63.423 62.300 -0.215 0.000 1.087 450 V CB -0.600 31.113 31.823 -0.184 0.000 0.674 450 V HN 0.209 nan 8.190 nan 0.000 0.470 451 L N 0.608 121.554 121.223 -0.461 0.000 2.334 451 L HA 0.454 4.794 4.340 0.000 0.000 0.273 451 L C -0.212 176.465 176.870 -0.321 0.000 1.013 451 L CA -0.657 53.925 54.840 -0.430 0.000 0.816 451 L CB 1.734 43.444 42.059 -0.582 0.000 1.278 451 L HN 0.309 nan 8.230 nan 0.000 0.431 452 N N -0.506 118.050 118.700 -0.240 0.000 2.477 452 N HA 0.190 4.930 4.740 0.000 0.000 0.284 452 N C 0.432 175.828 175.510 -0.191 0.000 1.182 452 N CA -0.801 52.135 53.050 -0.189 0.000 0.949 452 N CB 0.895 39.305 38.487 -0.128 0.000 1.204 452 N HN 0.518 nan 8.380 nan 0.000 0.526 453 E N 0.205 120.308 120.200 -0.161 0.000 2.119 453 E HA -0.350 4.000 4.350 0.000 0.000 0.221 453 E C 1.017 177.552 176.600 -0.107 0.000 1.062 453 E CA 2.053 58.371 56.400 -0.137 0.000 0.894 453 E CB -0.247 29.395 29.700 -0.096 0.000 0.785 453 E HN 0.645 nan 8.360 nan 0.000 0.472 454 E N 0.233 120.383 120.200 -0.082 0.000 2.082 454 E HA -0.314 4.036 4.350 0.000 0.000 0.215 454 E C 2.217 178.782 176.600 -0.057 0.000 1.048 454 E CA 2.151 58.517 56.400 -0.056 0.000 0.869 454 E CB -0.698 28.971 29.700 -0.052 0.000 0.773 454 E HN 0.574 nan 8.360 nan 0.000 0.466 455 Q N 0.251 119.998 119.800 -0.088 0.000 2.030 455 Q HA -0.139 4.201 4.340 0.000 0.000 0.204 455 Q C 2.376 178.320 176.000 -0.094 0.000 0.986 455 Q CA 1.491 57.239 55.803 -0.091 0.000 0.843 455 Q CB -0.325 28.330 28.738 -0.138 0.000 0.904 455 Q HN 0.234 nan 8.270 nan 0.000 0.420 456 R N 0.856 121.252 120.500 -0.174 0.000 2.117 456 R HA -0.196 4.144 4.340 0.000 0.000 0.243 456 R C 2.316 178.607 176.300 -0.015 0.000 1.143 456 R CA 1.638 57.629 56.100 -0.182 0.000 0.968 456 R CB -0.297 29.772 30.300 -0.386 0.000 0.863 456 R HN 0.211 nan 8.270 nan 0.000 0.444 457 K N 1.071 121.474 120.400 0.005 0.000 2.001 457 K HA -0.132 4.188 4.320 0.000 0.000 0.208 457 K C 2.111 178.734 176.600 0.037 0.000 1.048 457 K CA 1.251 57.587 56.287 0.081 0.000 0.932 457 K CB 0.001 32.552 32.500 0.085 0.000 0.715 457 K HN 0.038 nan 8.250 nan 0.000 0.437 458 R N 0.508 121.025 120.500 0.028 0.000 2.127 458 R HA -0.147 4.193 4.340 0.000 0.000 0.238 458 R C 2.389 178.727 176.300 0.063 0.000 1.134 458 R CA 1.201 57.326 56.100 0.042 0.000 0.975 458 R CB -0.437 29.885 30.300 0.037 0.000 0.865 458 R HN 0.256 nan 8.270 nan 0.000 0.447 459 L N 0.426 121.687 121.223 0.062 0.000 1.994 459 L HA -0.179 4.161 4.340 0.000 0.000 0.208 459 L C 2.080 178.981 176.870 0.051 0.000 1.071 459 L CA 1.757 56.667 54.840 0.116 0.000 0.745 459 L CB -0.655 41.486 42.059 0.137 0.000 0.892 459 L HN 0.126 nan 8.230 nan 0.000 0.431 460 C N -0.056 119.229 119.300 -0.025 0.000 2.440 460 C HA -0.101 4.359 4.460 0.000 0.000 0.278 460 C C 2.572 177.428 174.990 -0.224 0.000 1.295 460 C CA 0.866 59.760 59.018 -0.207 0.000 1.738 460 C CB -0.969 26.513 27.740 -0.430 0.000 1.987 460 C HN 0.603 nan 8.230 nan 0.000 0.492 461 E N 0.873 121.003 120.200 -0.117 0.000 2.072 461 E HA -0.157 4.193 4.350 0.000 0.000 0.191 461 E C 1.776 178.406 176.600 0.050 0.000 0.985 461 E CA 1.073 57.458 56.400 -0.026 0.000 0.801 461 E CB -0.309 29.407 29.700 0.026 0.000 0.750 461 E HN 0.714 nan 8.360 nan 0.000 0.452 462 N N 0.650 119.411 118.700 0.103 0.000 2.120 462 N HA -0.145 4.595 4.740 0.000 0.000 0.188 462 N C 1.994 177.616 175.510 0.186 0.000 1.024 462 N CA 0.851 54.057 53.050 0.259 0.000 0.852 462 N CB -0.073 38.675 38.487 0.435 0.000 1.003 462 N HN 0.081 nan 8.380 nan 0.000 0.424 463 I N 1.247 121.707 120.570 -0.183 0.000 2.142 463 I HA -0.234 3.936 4.170 0.000 0.000 0.240 463 I C 2.558 178.444 176.117 -0.385 0.000 1.078 463 I CA 0.867 61.781 61.300 -0.643 0.000 1.343 463 I CB -0.433 37.093 38.000 -0.789 0.000 1.046 463 I HN 0.138 nan 8.210 nan 0.000 0.405 464 A N 0.993 123.650 122.820 -0.271 0.000 1.940 464 A HA -0.166 4.154 4.320 0.000 0.000 0.219 464 A C 2.394 179.886 177.584 -0.153 0.000 1.176 464 A CA 1.966 53.902 52.037 -0.168 0.000 0.631 464 A CB -1.463 17.535 19.000 -0.003 0.000 0.814 464 A HN 0.505 nan 8.150 nan 0.000 0.446 465 G N -2.246 106.523 108.800 -0.052 0.000 2.470 465 G HA2 -0.225 3.735 3.960 0.000 0.000 0.220 465 G HA3 -0.225 3.735 3.960 0.000 0.000 0.220 465 G C 1.576 176.401 174.900 -0.125 0.000 1.121 465 G CA 1.268 46.267 45.100 -0.169 0.000 0.766 465 G HN 0.665 nan 8.290 nan 0.000 0.553 466 H N -0.370 118.671 119.070 -0.049 0.000 2.422 466 H HA 0.171 4.727 4.556 0.000 0.000 0.303 466 H C 2.227 177.529 175.328 -0.043 0.000 1.033 466 H CA 0.451 56.575 56.048 0.126 0.000 1.335 466 H CB -0.136 29.952 29.762 0.543 0.000 1.458 466 H HN 0.184 nan 8.280 nan 0.000 0.556 467 L N 2.562 123.649 121.223 -0.226 0.000 2.275 467 L HA -0.088 4.252 4.340 0.000 0.000 0.215 467 L C 2.397 179.031 176.870 -0.393 0.000 1.119 467 L CA 1.681 56.049 54.840 -0.785 0.000 0.790 467 L CB -0.591 40.719 42.059 -1.249 0.000 0.919 467 L HN 0.333 nan 8.230 nan 0.000 0.443 468 K N -1.737 118.474 120.400 -0.315 0.000 2.152 468 K HA -0.179 4.141 4.320 0.000 0.000 0.206 468 K C 1.259 177.745 176.600 -0.191 0.000 1.048 468 K CA 1.802 57.924 56.287 -0.276 0.000 0.933 468 K CB -0.508 31.656 32.500 -0.560 0.000 0.721 468 K HN 0.263 nan 8.250 nan 0.000 0.447 469 D N 1.105 121.411 120.400 -0.158 0.000 2.363 469 D HA 0.073 4.713 4.640 0.000 0.000 0.220 469 D C 0.437 176.714 176.300 -0.039 0.000 0.994 469 D CA 0.617 54.564 54.000 -0.088 0.000 0.890 469 D CB 0.208 40.960 40.800 -0.081 0.000 0.906 469 D HN 0.441 nan 8.370 nan 0.000 0.530 470 A N 0.479 123.271 122.820 -0.047 0.000 2.304 470 A HA 0.223 4.543 4.320 0.000 0.000 0.271 470 A C 0.491 178.013 177.584 -0.103 0.000 1.091 470 A CA -0.398 51.616 52.037 -0.038 0.000 0.812 470 A CB 0.596 19.589 19.000 -0.013 0.000 1.056 470 A HN -0.009 nan 8.150 nan 0.000 0.489 471 Q N -0.014 119.699 119.800 -0.144 0.000 2.349 471 Q HA 0.070 4.410 4.340 0.000 0.000 0.287 471 Q C 0.833 176.710 176.000 -0.205 0.000 1.044 471 Q CA 0.106 55.822 55.803 -0.146 0.000 0.918 471 Q CB 0.430 29.078 28.738 -0.151 0.000 1.242 471 Q HN 0.691 nan 8.270 nan 0.000 0.405 472 I N 2.194 122.727 120.570 -0.062 0.000 2.335 472 I HA -0.331 3.839 4.170 0.000 0.000 0.251 472 I C 1.771 177.886 176.117 -0.004 0.000 1.129 472 I CA 1.152 62.435 61.300 -0.029 0.000 1.402 472 I CB -0.252 37.767 38.000 0.032 0.000 1.069 472 I HN 0.710 nan 8.210 nan 0.000 0.424 473 F N 0.302 120.260 119.950 0.012 0.000 2.293 473 F HA -0.061 4.466 4.527 -0.000 0.000 0.300 473 F C 2.014 177.826 175.800 0.020 0.000 1.086 473 F CA 1.085 59.093 58.000 0.013 0.000 1.375 473 F CB -0.888 38.120 39.000 0.015 0.000 1.045 473 F HN -0.078 nan 8.300 nan 0.000 0.516 474 I N 0.487 120.595 120.570 -0.769 0.000 2.333 474 I HA -0.201 3.969 4.170 0.000 0.000 0.246 474 I C 2.546 178.552 176.117 -0.185 0.000 1.106 474 I CA 1.061 62.054 61.300 -0.512 0.000 1.411 474 I CB -0.580 37.067 38.000 -0.588 0.000 1.082 474 I HN 0.203 nan 8.210 nan 0.000 0.420 475 Q N 0.649 120.335 119.800 -0.189 0.000 2.112 475 Q HA -0.235 4.105 4.340 0.000 0.000 0.206 475 Q C 2.171 178.124 176.000 -0.078 0.000 0.987 475 Q CA 1.383 57.097 55.803 -0.147 0.000 0.858 475 Q CB -0.005 28.652 28.738 -0.135 0.000 0.905 475 Q HN 0.335 nan 8.270 nan 0.000 0.420 476 K N 0.651 121.031 120.400 -0.033 0.000 2.025 476 K HA -0.080 4.240 4.320 0.000 0.000 0.207 476 K C 1.898 178.500 176.600 0.003 0.000 1.049 476 K CA 0.771 57.060 56.287 0.002 0.000 0.933 476 K CB -0.228 32.297 32.500 0.042 0.000 0.714 476 K HN 0.035 nan 8.250 nan 0.000 0.438 477 K N 0.942 121.355 120.400 0.021 0.000 2.103 477 K HA -0.058 4.262 4.320 0.000 0.000 0.207 477 K C 2.002 178.579 176.600 -0.037 0.000 1.048 477 K CA 1.255 57.552 56.287 0.018 0.000 0.930 477 K CB -0.094 32.444 32.500 0.063 0.000 0.716 477 K HN 0.125 nan 8.250 nan 0.000 0.444 478 A N 0.414 123.211 122.820 -0.039 0.000 1.872 478 A HA -0.083 4.237 4.320 0.000 0.000 0.214 478 A C 2.402 179.881 177.584 -0.175 0.000 1.187 478 A CA 1.276 53.250 52.037 -0.105 0.000 0.614 478 A CB -0.575 18.436 19.000 0.017 0.000 0.826 478 A HN 0.079 nan 8.150 nan 0.000 0.442 479 V N 0.574 120.471 119.914 -0.029 0.000 2.332 479 V HA -0.306 3.814 4.120 0.000 0.000 0.248 479 V C 2.427 178.504 176.094 -0.028 0.000 1.055 479 V CA 2.381 64.704 62.300 0.039 0.000 1.038 479 V CB -0.718 31.111 31.823 0.010 0.000 0.651 479 V HN 0.552 nan 8.190 nan 0.000 0.450 480 K N 0.070 120.439 120.400 -0.051 0.000 2.113 480 K HA -0.213 4.107 4.320 0.000 0.000 0.208 480 K C 1.976 178.517 176.600 -0.099 0.000 1.047 480 K CA 1.666 57.922 56.287 -0.051 0.000 0.928 480 K CB -0.329 32.149 32.500 -0.037 0.000 0.716 480 K HN 0.475 nan 8.250 nan 0.000 0.446 481 N N 0.486 119.064 118.700 -0.204 0.000 2.135 481 N HA -0.087 4.653 4.740 0.000 0.000 0.186 481 N C 1.657 176.976 175.510 -0.318 0.000 1.027 481 N CA 1.126 53.999 53.050 -0.295 0.000 0.849 481 N CB -0.352 37.867 38.487 -0.447 0.000 1.002 481 N HN 0.075 nan 8.380 nan 0.000 0.425 482 F N 1.380 121.185 119.950 -0.241 0.000 2.333 482 F HA -0.053 4.474 4.527 -0.000 0.000 0.300 482 F C 2.457 178.107 175.800 -0.249 0.000 1.083 482 F CA 0.781 58.500 58.000 -0.468 0.000 1.395 482 F CB -0.918 37.607 39.000 -0.791 0.000 1.056 482 F HN 0.006 nan 8.300 nan 0.000 0.529 483 T N -1.187 113.375 114.554 0.013 0.000 2.896 483 T HA -0.144 4.206 4.350 0.000 0.000 0.263 483 T C 1.927 176.656 174.700 0.049 0.000 1.050 483 T CA 0.960 63.090 62.100 0.050 0.000 1.140 483 T CB -0.141 68.744 68.868 0.029 0.000 0.877 483 T HN 0.302 nan 8.240 nan 0.000 0.457 484 E N 0.382 120.585 120.200 0.005 0.000 2.265 484 E HA -0.103 4.247 4.350 0.000 0.000 0.196 484 E C 1.888 178.506 176.600 0.030 0.000 0.996 484 E CA 0.652 57.053 56.400 0.002 0.000 0.832 484 E CB 0.106 29.786 29.700 -0.033 0.000 0.756 484 E HN 0.267 nan 8.360 nan 0.000 0.491 485 V N -0.106 119.853 119.914 0.074 0.000 2.283 485 V HA -0.062 4.058 4.120 0.000 0.000 0.239 485 V C 0.956 177.145 176.094 0.158 0.000 1.035 485 V CA 1.213 63.589 62.300 0.128 0.000 1.018 485 V CB 0.037 32.013 31.823 0.254 0.000 0.658 485 V HN 0.328 nan 8.190 nan 0.000 0.459 486 H N -1.162 117.953 119.070 0.076 0.000 2.856 486 H HA 0.311 4.867 4.556 -0.000 0.000 0.355 486 H C -2.455 172.919 175.328 0.078 0.000 1.079 486 H CA -1.897 54.190 56.048 0.064 0.000 1.240 486 H CB 2.423 32.193 29.762 0.014 0.000 1.701 486 H HN -0.079 nan 8.280 nan 0.000 0.527 487 P HA -0.105 nan 4.420 nan 0.000 0.217 487 P C 0.736 178.216 177.300 0.299 0.000 1.150 487 P CA 1.190 64.463 63.100 0.289 0.000 0.832 487 P CB 0.547 32.357 31.700 0.182 0.000 0.787 488 D N -2.161 118.482 120.400 0.405 0.000 2.178 488 D HA -0.174 4.466 4.640 0.000 0.000 0.202 488 D C 1.766 178.119 176.300 0.088 0.000 0.974 488 D CA 0.897 54.956 54.000 0.098 0.000 0.841 488 D CB -0.854 39.892 40.800 -0.091 0.000 0.953 488 D HN 0.139 nan 8.370 nan 0.000 0.478 489 Y N 1.849 122.020 120.300 -0.215 0.000 2.089 489 Y HA -0.120 4.430 4.550 0.000 0.000 0.282 489 Y C 2.403 178.220 175.900 -0.138 0.000 1.139 489 Y CA 1.753 59.647 58.100 -0.345 0.000 1.123 489 Y CB -0.824 37.207 38.460 -0.715 0.000 0.980 489 Y HN -0.027 nan 8.280 nan 0.000 0.493 490 G N -0.876 107.937 108.800 0.023 0.000 2.404 490 G HA2 -0.259 3.701 3.960 0.000 0.000 0.215 490 G HA3 -0.259 3.701 3.960 0.000 0.000 0.215 490 G C 1.894 176.798 174.900 0.008 0.000 1.174 490 G CA 1.646 46.736 45.100 -0.018 0.000 0.780 490 G HN 0.528 nan 8.290 nan 0.000 0.537 491 S N -0.483 115.253 115.700 0.061 0.000 2.399 491 S HA -0.166 4.304 4.470 0.000 0.000 0.231 491 S C 2.011 176.673 174.600 0.104 0.000 1.022 491 S CA 1.594 59.835 58.200 0.067 0.000 0.983 491 S CB -0.797 62.447 63.200 0.073 0.000 0.803 491 S HN 0.688 nan 8.310 nan 0.000 0.480 492 H N 0.910 119.979 119.070 -0.001 0.000 2.389 492 H HA 0.100 4.656 4.556 -0.000 0.000 0.299 492 H C 2.017 177.322 175.328 -0.039 0.000 1.081 492 H CA 1.309 57.352 56.048 -0.008 0.000 1.345 492 H CB -0.113 29.660 29.762 0.018 0.000 1.393 492 H HN 0.400 nan 8.280 nan 0.000 0.520 493 I N 0.737 121.255 120.570 -0.086 0.000 2.179 493 I HA -0.272 3.898 4.170 0.000 0.000 0.242 493 I C 2.672 178.728 176.117 -0.101 0.000 1.088 493 I CA 1.402 62.570 61.300 -0.220 0.000 1.357 493 I CB -0.248 37.532 38.000 -0.366 0.000 1.051 493 I HN 0.350 nan 8.210 nan 0.000 0.409 494 Q N 1.226 120.999 119.800 -0.044 0.000 2.124 494 Q HA -0.174 4.166 4.340 0.000 0.000 0.202 494 Q C 2.105 178.110 176.000 0.008 0.000 0.977 494 Q CA 2.114 57.907 55.803 -0.017 0.000 0.850 494 Q CB -0.270 28.468 28.738 -0.000 0.000 0.901 494 Q HN 0.497 nan 8.270 nan 0.000 0.429 495 A N 0.033 122.879 122.820 0.043 0.000 1.902 495 A HA -0.148 4.172 4.320 0.000 0.000 0.217 495 A C 2.099 179.701 177.584 0.029 0.000 1.181 495 A CA 1.492 53.561 52.037 0.054 0.000 0.623 495 A CB -0.770 18.295 19.000 0.109 0.000 0.818 495 A HN 0.453 nan 8.150 nan 0.000 0.443 496 L N -0.711 120.530 121.223 0.030 0.000 2.027 496 L HA -0.158 4.182 4.340 0.000 0.000 0.206 496 L C 2.595 179.468 176.870 0.005 0.000 1.074 496 L CA 1.013 55.836 54.840 -0.029 0.000 0.745 496 L CB -0.483 41.548 42.059 -0.047 0.000 0.898 496 L HN 0.377 nan 8.230 nan 0.000 0.433 497 L N -0.475 120.781 121.223 0.054 0.000 2.012 497 L HA -0.279 4.061 4.340 0.000 0.000 0.210 497 L C 2.305 179.219 176.870 0.073 0.000 1.073 497 L CA 1.247 56.147 54.840 0.101 0.000 0.748 497 L CB -0.761 41.299 42.059 0.003 0.000 0.891 497 L HN 0.318 nan 8.230 nan 0.000 0.431 498 D N 0.203 120.615 120.400 0.021 0.000 2.133 498 D HA -0.198 4.442 4.640 0.000 0.000 0.195 498 D C 2.150 178.447 176.300 -0.005 0.000 0.997 498 D CA 1.301 55.307 54.000 0.009 0.000 0.840 498 D CB -0.104 40.696 40.800 -0.001 0.000 0.947 498 D HN 0.345 nan 8.370 nan 0.000 0.452 499 K N -0.269 120.098 120.400 -0.055 0.000 1.985 499 K HA -0.163 4.157 4.320 0.000 0.000 0.210 499 K C 2.330 178.882 176.600 -0.079 0.000 1.047 499 K CA 1.016 57.233 56.287 -0.117 0.000 0.932 499 K CB -0.388 31.964 32.500 -0.247 0.000 0.716 499 K HN 0.145 nan 8.250 nan 0.000 0.439 500 Y N 1.989 122.276 120.300 -0.023 0.000 2.081 500 Y HA -0.229 4.321 4.550 -0.000 0.000 0.280 500 Y C 1.954 177.840 175.900 -0.023 0.000 1.163 500 Y CA 1.249 59.334 58.100 -0.026 0.000 1.135 500 Y CB -0.769 37.668 38.460 -0.039 0.000 0.970 500 Y HN 0.152 nan 8.280 nan 0.000 0.498 501 N N 0.292 119.079 118.700 0.145 0.000 2.659 501 N HA -0.050 4.690 4.740 0.000 0.000 0.194 501 N C 0.315 175.855 175.510 0.049 0.000 1.140 501 N CA 0.929 54.023 53.050 0.072 0.000 0.936 501 N CB -0.292 38.221 38.487 0.043 0.000 0.970 501 N HN 0.293 nan 8.380 nan 0.000 0.449 502 A N 0.000 122.847 122.820 0.046 0.000 2.254 502 A HA 0.000 4.320 4.320 0.000 0.000 0.244 502 A CA 0.000 52.052 52.037 0.025 0.000 0.836 502 A CB 0.000 19.004 19.000 0.006 0.000 0.831 502 A HN 0.000 nan 8.150 nan 0.000 0.486