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 2x03_1_A DATA FIRST_RESID 24 DATA SEQUENCE ADPYDALRRR WLGITLGTGY DPAAEPYASR LAETGERARE HRATMAPTPT DATA SEQUENCE SLWPGHPFDP PAGITFAYGR LWTMTEAYVQ EGTGATGDPA LLADILRGLD DATA SEQUENCE HLSATVYHPA TTRYGNWWEW QIGSPRLLMD ITAALYDHLG ADRVAAACAA DATA SEQUENCE VDHFVPDAML GAYTGTSTGA NRVDLCRSVA LRGVLGRAPA KIALARDALS DATA SEQUENCE PVFPYVTKGD GLYADGSFVQ HTWVAYSGTA GQVMLDGLGR LFTLLAGSEW DATA SEQUENCE EVTDPGRQLV LDSVEHAYAP LIHDGLVMDT VNGRAISRGY LKSDDLHVMR DATA SEQUENCE SDHFHGQQLI AAMAVLAGGA SNAERERWHA RIKGWIERDT VTPVLTAPQF DATA SEQUENCE PVADLTRLHA IADAPGEAAP EPVGHHLFAA MDRAVHRRPA FTAGLAMASD DATA SEQUENCE RIAHYECGNG ENPRGWHTGA GMLTWWANGT RADQYTDWFW PTVDWYRLPG DATA SEQUENCE TTVSTKRLAD RAGGEWGAPK PDVRWVGGAT DGEYAAVGQH LKGLGSTLEA DATA SEQUENCE RKSWFFLDDA VVCLGAGITC ADGVPVETVV DNRNLGEGGT QALVRGRHWA DATA SEQUENCE HLEGHGGWIV PGGALRTLRE DRTGAWSDIN TTSTTERRTR RWQTLWLDHG DATA SEQUENCE TDPAGADYVY TVMPGASRAA LARRAADRHW LTVLANDDRR QAVSVPSLGL DATA SEQUENCE TAANFWQAGT AGPLTTTAGA SVLVRRRGRT ATLRVSEPPR TGEALEIVWD DATA SEQUENCE HPVGAVLRAD ETVEILATGR RLHLRVTPGV VCTTHECEVT LS 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 0.000 177.592 177.584 0.013 0.000 1.274 24 A CA 0.000 52.045 52.037 0.013 0.000 0.836 24 A CB 0.000 19.015 19.000 0.025 0.000 0.831 25 D N 1.012 121.431 120.400 0.032 0.000 2.255 25 D HA 0.426 5.066 4.640 0.000 0.000 0.249 25 D C -1.623 174.676 176.300 -0.001 0.000 1.078 25 D CA -1.162 52.864 54.000 0.044 0.000 0.896 25 D CB 1.864 42.726 40.800 0.103 0.000 1.194 25 D HN 0.109 nan 8.370 nan 0.000 0.429 26 P HA -0.088 nan 4.420 nan 0.000 0.221 26 P C 0.975 178.162 177.300 -0.188 0.000 1.155 26 P CA 0.829 63.826 63.100 -0.172 0.000 0.812 26 P CB 0.085 31.614 31.700 -0.285 0.000 0.801 27 Y N 0.764 121.137 120.300 0.123 0.000 2.242 27 Y HA -0.110 4.440 4.550 0.000 0.000 0.291 27 Y C 2.261 178.150 175.900 -0.019 0.000 1.137 27 Y CA 1.170 59.284 58.100 0.023 0.000 1.181 27 Y CB -1.506 36.947 38.460 -0.012 0.000 0.989 27 Y HN -0.059 nan 8.280 nan 0.000 0.527 28 D N -0.142 120.327 120.400 0.116 0.000 2.144 28 D HA -0.112 4.528 4.640 0.000 0.000 0.200 28 D C 2.254 178.581 176.300 0.045 0.000 0.978 28 D CA 1.322 55.354 54.000 0.054 0.000 0.833 28 D CB -0.341 40.498 40.800 0.065 0.000 0.961 28 D HN 0.308 nan 8.370 nan 0.000 0.470 29 A N 0.212 123.060 122.820 0.047 0.000 1.898 29 A HA -0.075 4.245 4.320 0.000 0.000 0.216 29 A C 2.326 179.954 177.584 0.073 0.000 1.181 29 A CA 0.778 52.846 52.037 0.050 0.000 0.620 29 A CB -0.671 18.351 19.000 0.036 0.000 0.819 29 A HN 0.196 nan 8.150 nan 0.000 0.442 30 L N -1.172 120.096 121.223 0.076 0.000 1.994 30 L HA -0.181 4.159 4.340 0.000 0.000 0.208 30 L C 2.783 179.719 176.870 0.109 0.000 1.071 30 L CA 1.832 56.727 54.840 0.091 0.000 0.745 30 L CB -0.547 41.543 42.059 0.051 0.000 0.892 30 L HN 0.417 nan 8.230 nan 0.000 0.431 31 R N 0.255 120.789 120.500 0.057 0.000 2.113 31 R HA -0.216 4.124 4.340 0.000 0.000 0.244 31 R C 2.465 178.847 176.300 0.136 0.000 1.142 31 R CA 1.858 57.992 56.100 0.056 0.000 0.953 31 R CB -0.096 30.149 30.300 -0.092 0.000 0.860 31 R HN 0.270 nan 8.270 nan 0.000 0.438 32 R N -0.770 119.789 120.500 0.098 0.000 2.119 32 R HA -0.033 4.307 4.340 0.000 0.000 0.222 32 R C 2.428 178.800 176.300 0.119 0.000 1.088 32 R CA 1.052 57.212 56.100 0.099 0.000 0.984 32 R CB -0.155 30.186 30.300 0.068 0.000 0.884 32 R HN 0.182 nan 8.270 nan 0.000 0.447 33 R N 0.158 120.741 120.500 0.139 0.000 2.092 33 R HA -0.155 4.185 4.340 0.000 0.000 0.231 33 R C 1.931 178.349 176.300 0.195 0.000 1.119 33 R CA 1.272 57.459 56.100 0.144 0.000 0.970 33 R CB -0.202 30.189 30.300 0.151 0.000 0.864 33 R HN 0.402 nan 8.270 nan 0.000 0.440 34 W N 1.042 122.362 121.300 0.033 0.000 2.363 34 W HA -0.180 4.480 4.660 0.000 0.000 0.296 34 W C 1.189 177.740 176.519 0.054 0.000 1.212 34 W CA 0.996 58.360 57.345 0.032 0.000 1.260 34 W CB -0.014 29.452 29.460 0.011 0.000 1.131 34 W HN 0.159 nan 8.180 nan 0.000 0.530 35 L N 0.239 121.523 121.223 0.101 0.000 2.156 35 L HA -0.052 4.288 4.340 0.000 0.000 0.208 35 L C 2.782 179.641 176.870 -0.019 0.000 1.095 35 L CA 1.229 56.089 54.840 0.033 0.000 0.770 35 L CB -1.438 40.695 42.059 0.123 0.000 0.914 35 L HN -0.013 nan 8.230 nan 0.000 0.439 36 G N 0.350 109.151 108.800 0.003 0.000 2.422 36 G HA2 -0.212 3.748 3.960 0.000 0.000 0.218 36 G HA3 -0.212 3.748 3.960 0.000 0.000 0.218 36 G C 1.602 176.464 174.900 -0.064 0.000 1.146 36 G CA 0.584 45.683 45.100 -0.001 0.000 0.769 36 G HN 0.262 nan 8.290 nan 0.000 0.547 37 I N 0.512 120.986 120.570 -0.160 0.000 2.333 37 I HA -0.087 4.083 4.170 0.000 0.000 0.246 37 I C 2.854 178.766 176.117 -0.342 0.000 1.106 37 I CA 1.299 62.445 61.300 -0.256 0.000 1.411 37 I CB -0.045 37.731 38.000 -0.374 0.000 1.082 37 I HN 0.089 nan 8.210 nan 0.000 0.420 38 T N 0.485 114.764 114.554 -0.458 0.000 2.937 38 T HA 0.068 4.418 4.350 0.000 0.000 0.260 38 T C 1.633 176.304 174.700 -0.047 0.000 1.051 38 T CA 1.029 62.927 62.100 -0.336 0.000 1.141 38 T CB 0.074 68.686 68.868 -0.428 0.000 0.879 38 T HN 0.198 nan 8.240 nan 0.000 0.459 39 L N -0.233 120.986 121.223 -0.006 0.000 2.817 39 L HA 0.427 4.767 4.340 0.000 0.000 0.248 39 L C 1.130 178.046 176.870 0.076 0.000 1.133 39 L CA -0.273 54.609 54.840 0.071 0.000 0.935 39 L CB 0.130 42.255 42.059 0.109 0.000 1.266 39 L HN 0.399 nan 8.230 nan 0.000 0.535 40 G N 0.476 109.300 108.800 0.040 0.000 2.787 40 G HA2 -0.172 3.788 3.960 0.000 0.000 0.685 40 G HA3 -0.172 3.788 3.960 0.000 0.000 0.685 40 G C -0.462 174.538 174.900 0.167 0.000 1.437 40 G CA -0.163 44.986 45.100 0.081 0.000 0.872 40 G HN 0.032 nan 8.290 nan 0.000 0.566 41 T N -0.799 113.849 114.554 0.157 0.000 2.916 41 T HA 0.740 5.090 4.350 0.000 0.000 0.305 41 T C 1.057 175.793 174.700 0.061 0.000 1.119 41 T CA 1.521 63.674 62.100 0.087 0.000 1.008 41 T CB 0.929 69.819 68.868 0.035 0.000 1.129 41 T HN 2.727 nan 8.240 nan 0.000 0.480 42 G N 2.522 111.269 108.800 -0.089 0.000 2.198 42 G HA2 -0.223 3.737 3.960 0.000 0.000 0.260 42 G HA3 -0.223 3.737 3.960 0.000 0.000 0.260 42 G C -0.180 174.650 174.900 -0.116 0.000 1.025 42 G CA 1.023 46.056 45.100 -0.112 0.000 0.769 42 G HN 1.120 nan 8.290 nan 0.000 0.507 43 Y N -1.585 118.568 120.300 -0.246 0.000 2.545 43 Y HA 0.779 5.329 4.550 0.000 0.000 0.324 43 Y C 0.073 175.744 175.900 -0.382 0.000 1.220 43 Y CA -1.838 56.004 58.100 -0.429 0.000 1.290 43 Y CB 1.113 39.005 38.460 -0.948 0.000 1.355 43 Y HN 0.010 nan 8.280 nan 0.000 0.516 44 D N 2.258 122.510 120.400 -0.246 0.000 2.467 44 D HA 0.291 4.931 4.640 0.000 0.000 0.220 44 D C -1.880 174.404 176.300 -0.027 0.000 1.103 44 D CA -2.921 50.986 54.000 -0.155 0.000 0.886 44 D CB 1.137 41.907 40.800 -0.051 0.000 1.025 44 D HN 0.362 nan 8.370 nan 0.000 0.514 45 P HA -0.081 nan 4.420 nan 0.000 0.226 45 P C 0.714 178.076 177.300 0.103 0.000 1.146 45 P CA 0.491 63.663 63.100 0.121 0.000 0.773 45 P CB 0.296 32.008 31.700 0.021 0.000 0.772 46 A N -0.753 122.099 122.820 0.054 0.000 2.195 46 A HA 0.452 4.772 4.320 0.000 0.000 0.210 46 A C 1.361 178.991 177.584 0.078 0.000 1.165 46 A CA 0.284 52.351 52.037 0.051 0.000 0.806 46 A CB -0.460 18.551 19.000 0.017 0.000 0.847 46 A HN 0.262 nan 8.150 nan 0.000 0.482 47 A N 0.628 123.521 122.820 0.121 0.000 2.316 47 A HA 0.531 4.851 4.320 0.000 0.000 0.284 47 A C -0.114 177.568 177.584 0.163 0.000 1.115 47 A CA -0.514 51.605 52.037 0.137 0.000 0.812 47 A CB 0.258 19.346 19.000 0.146 0.000 1.064 47 A HN 0.284 nan 8.150 nan 0.000 0.489 48 E N 2.032 122.275 120.200 0.072 0.000 2.392 48 E HA 0.170 4.520 4.350 0.000 0.000 0.264 48 E C -1.536 175.004 176.600 -0.101 0.000 1.024 48 E CA -1.354 55.049 56.400 0.005 0.000 0.903 48 E CB 0.512 30.213 29.700 0.003 0.000 0.963 48 E HN 0.483 nan 8.360 nan 0.000 0.432 49 P HA 0.016 nan 4.420 nan 0.000 0.261 49 P C 0.669 177.839 177.300 -0.217 0.000 1.268 49 P CA 0.394 63.370 63.100 -0.207 0.000 0.833 49 P CB 0.141 31.726 31.700 -0.192 0.000 1.231 50 Y N 1.936 122.187 120.300 -0.081 0.000 2.069 50 Y HA -0.243 4.307 4.550 0.000 0.000 0.278 50 Y C 2.872 178.754 175.900 -0.030 0.000 1.175 50 Y CA 1.650 59.693 58.100 -0.096 0.000 1.134 50 Y CB -1.909 36.496 38.460 -0.092 0.000 0.965 50 Y HN -0.020 nan 8.280 nan 0.000 0.498 51 A N -0.110 122.810 122.820 0.166 0.000 1.903 51 A HA -0.272 4.048 4.320 0.000 0.000 0.219 51 A C 2.423 180.039 177.584 0.053 0.000 1.191 51 A CA 2.543 54.639 52.037 0.099 0.000 0.638 51 A CB -1.207 17.838 19.000 0.076 0.000 0.823 51 A HN 0.482 nan 8.150 nan 0.000 0.451 52 S N -0.893 114.824 115.700 0.029 0.000 2.368 52 S HA -0.135 4.335 4.470 0.000 0.000 0.224 52 S C 2.079 176.684 174.600 0.010 0.000 1.029 52 S CA 1.506 59.713 58.200 0.013 0.000 0.988 52 S CB -0.301 62.900 63.200 0.002 0.000 0.838 52 S HN 0.555 nan 8.310 nan 0.000 0.462 53 R N 1.328 121.833 120.500 0.008 0.000 2.066 53 R HA 0.142 4.482 4.340 0.000 0.000 0.232 53 R C 2.124 178.431 176.300 0.011 0.000 1.131 53 R CA 1.085 57.189 56.100 0.007 0.000 0.955 53 R CB -0.850 29.450 30.300 -0.001 0.000 0.851 53 R HN 0.378 nan 8.270 nan 0.000 0.432 54 L N -0.496 120.745 121.223 0.031 0.000 2.042 54 L HA -0.162 4.178 4.340 0.000 0.000 0.210 54 L C 2.440 179.313 176.870 0.005 0.000 1.076 54 L CA 1.512 56.367 54.840 0.026 0.000 0.749 54 L CB -0.642 41.454 42.059 0.062 0.000 0.893 54 L HN 0.266 nan 8.230 nan 0.000 0.432 55 A N -0.054 122.772 122.820 0.010 0.000 1.902 55 A HA -0.233 4.087 4.320 0.000 0.000 0.217 55 A C 2.173 179.748 177.584 -0.014 0.000 1.181 55 A CA 1.788 53.824 52.037 -0.002 0.000 0.623 55 A CB -0.474 18.529 19.000 0.004 0.000 0.818 55 A HN 0.464 nan 8.150 nan 0.000 0.443 56 E N -0.910 119.283 120.200 -0.012 0.000 2.110 56 E HA -0.133 4.217 4.350 0.000 0.000 0.193 56 E C 2.054 178.631 176.600 -0.038 0.000 0.988 56 E CA 1.621 58.009 56.400 -0.020 0.000 0.804 56 E CB -0.293 29.402 29.700 -0.009 0.000 0.745 56 E HN 0.603 nan 8.360 nan 0.000 0.458 57 T N 0.110 114.641 114.554 -0.037 0.000 2.777 57 T HA -0.117 4.233 4.350 0.000 0.000 0.266 57 T C 1.873 176.531 174.700 -0.070 0.000 1.040 57 T CA 1.117 63.181 62.100 -0.060 0.000 1.141 57 T CB -0.584 68.244 68.868 -0.067 0.000 0.868 57 T HN 0.382 nan 8.240 nan 0.000 0.444 58 G N 1.082 109.852 108.800 -0.051 0.000 2.514 58 G HA2 -0.283 3.677 3.960 0.000 0.000 0.217 58 G HA3 -0.283 3.677 3.960 0.000 0.000 0.217 58 G C 1.380 176.244 174.900 -0.060 0.000 1.198 58 G CA 1.174 46.246 45.100 -0.046 0.000 0.780 58 G HN 0.529 nan 8.290 nan 0.000 0.565 59 E N 0.134 120.299 120.200 -0.058 0.000 2.070 59 E HA -0.170 4.180 4.350 0.000 0.000 0.197 59 E C 2.783 179.310 176.600 -0.122 0.000 1.004 59 E CA 1.077 57.437 56.400 -0.066 0.000 0.805 59 E CB -0.034 29.638 29.700 -0.046 0.000 0.744 59 E HN 0.430 nan 8.360 nan 0.000 0.451 60 R N -0.067 120.333 120.500 -0.167 0.000 2.096 60 R HA -0.080 4.260 4.340 0.000 0.000 0.235 60 R C 2.415 178.396 176.300 -0.531 0.000 1.127 60 R CA 0.997 56.889 56.100 -0.348 0.000 0.968 60 R CB -0.338 29.788 30.300 -0.290 0.000 0.861 60 R HN 0.130 nan 8.270 nan 0.000 0.440 61 A N 1.594 124.255 122.820 -0.266 0.000 1.902 61 A HA -0.171 4.149 4.320 0.000 0.000 0.217 61 A C 2.147 179.691 177.584 -0.068 0.000 1.181 61 A CA 1.222 53.178 52.037 -0.135 0.000 0.623 61 A CB -0.383 18.590 19.000 -0.044 0.000 0.818 61 A HN 0.209 nan 8.150 nan 0.000 0.443 62 R N -0.797 119.662 120.500 -0.067 0.000 2.081 62 R HA -0.143 4.197 4.340 0.000 0.000 0.235 62 R C 2.310 178.612 176.300 0.003 0.000 1.131 62 R CA 1.470 57.561 56.100 -0.014 0.000 0.960 62 R CB -0.292 30.000 30.300 -0.014 0.000 0.856 62 R HN 0.735 nan 8.270 nan 0.000 0.436 63 E N 0.015 120.175 120.200 -0.067 0.000 2.077 63 E HA -0.215 4.135 4.350 0.000 0.000 0.193 63 E C 1.655 178.343 176.600 0.148 0.000 0.989 63 E CA 1.441 57.836 56.400 -0.009 0.000 0.800 63 E CB 0.031 29.689 29.700 -0.071 0.000 0.746 63 E HN 0.596 nan 8.360 nan 0.000 0.452 64 H N -0.756 118.401 119.070 0.145 0.000 2.389 64 H HA -0.061 4.495 4.556 0.000 0.000 0.299 64 H C 2.374 178.001 175.328 0.498 0.000 1.081 64 H CA 1.149 57.394 56.048 0.328 0.000 1.345 64 H CB 0.012 29.831 29.762 0.095 0.000 1.393 64 H HN 0.026 nan 8.280 nan 0.000 0.520 65 R N 1.360 122.082 120.500 0.371 0.000 2.073 65 R HA -0.108 4.232 4.340 0.000 0.000 0.234 65 R C 2.467 178.858 176.300 0.151 0.000 1.134 65 R CA 1.233 57.471 56.100 0.230 0.000 0.952 65 R CB -0.312 30.069 30.300 0.135 0.000 0.850 65 R HN 0.280 nan 8.270 nan 0.000 0.433 66 A N -0.060 122.845 122.820 0.142 0.000 1.948 66 A HA -0.183 4.137 4.320 0.000 0.000 0.220 66 A C 2.123 179.772 177.584 0.109 0.000 1.177 66 A CA 2.137 54.234 52.037 0.100 0.000 0.636 66 A CB -0.860 18.191 19.000 0.085 0.000 0.815 66 A HN 0.673 nan 8.150 nan 0.000 0.449 67 T N -3.917 110.766 114.554 0.215 0.000 3.060 67 T HA 0.345 4.695 4.350 0.000 0.000 0.249 67 T C 0.724 175.405 174.700 -0.032 0.000 1.079 67 T CA 0.147 62.375 62.100 0.213 0.000 1.013 67 T CB -0.372 68.755 68.868 0.432 0.000 0.975 67 T HN 0.319 nan 8.240 nan 0.000 0.518 68 M N 2.585 122.051 119.600 -0.224 0.000 2.303 68 M HA 0.393 4.873 4.480 0.000 0.000 0.350 68 M C -0.616 175.367 176.300 -0.527 0.000 1.518 68 M CA 0.126 54.889 55.300 -0.896 0.000 1.070 68 M CB 0.036 32.194 32.600 -0.736 0.000 1.910 68 M HN 0.356 nan 8.290 nan 0.000 0.458 69 A N 7.840 130.332 122.820 -0.547 0.000 2.651 69 A HA 0.644 4.964 4.320 0.000 0.000 0.290 69 A C -2.829 174.581 177.584 -0.289 0.000 1.185 69 A CA -1.283 50.570 52.037 -0.307 0.000 0.746 69 A CB 0.566 19.457 19.000 -0.182 0.000 1.213 69 A HN 0.534 nan 8.150 nan 0.000 0.429 70 P HA 0.398 nan 4.420 nan 0.000 0.276 70 P C -0.070 177.027 177.300 -0.339 0.000 1.243 70 P CA 0.358 63.152 63.100 -0.511 0.000 0.768 70 P CB 1.236 32.442 31.700 -0.824 0.000 0.856 71 T N -0.029 114.454 114.554 -0.119 0.000 2.900 71 T HA 0.430 4.780 4.350 0.000 0.000 0.303 71 T C -2.366 172.444 174.700 0.184 0.000 1.142 71 T CA -2.494 59.607 62.100 0.003 0.000 1.007 71 T CB 1.498 70.340 68.868 -0.044 0.000 1.156 71 T HN -0.084 nan 8.240 nan 0.000 0.490 72 P HA -0.125 nan 4.420 nan 0.000 0.220 72 P C 0.961 178.354 177.300 0.155 0.000 1.144 72 P CA 1.590 64.806 63.100 0.194 0.000 0.808 72 P CB -0.143 31.625 31.700 0.114 0.000 0.763 73 T N -6.134 108.399 114.554 -0.035 0.000 3.144 73 T HA 0.351 4.701 4.350 0.000 0.000 0.290 73 T C 0.329 174.468 174.700 -0.935 0.000 0.966 73 T CA -0.040 61.904 62.100 -0.261 0.000 0.907 73 T CB 0.067 68.864 68.868 -0.118 0.000 1.152 73 T HN 0.227 nan 8.240 nan 0.000 0.532 74 S N 0.095 115.154 115.700 -1.069 0.000 2.655 74 S HA 0.673 5.143 4.470 0.000 0.000 0.266 74 S C -0.553 173.857 174.600 -0.318 0.000 1.149 74 S CA -0.770 56.812 58.200 -1.030 0.000 0.818 74 S CB 1.511 64.502 63.200 -0.348 0.000 1.130 74 S HN 0.077 nan 8.310 nan 0.000 0.476 75 L N -0.736 120.521 121.223 0.056 0.000 2.885 75 L HA 0.600 4.940 4.340 0.000 0.000 0.251 75 L C -0.892 175.895 176.870 -0.138 0.000 1.071 75 L CA 0.120 55.027 54.840 0.112 0.000 0.956 75 L CB 0.383 42.645 42.059 0.339 0.000 1.483 75 L HN 0.745 nan 8.230 nan 0.000 0.525 76 W N 2.269 123.652 121.300 0.138 0.000 2.587 76 W HA 0.416 5.076 4.660 0.000 0.000 0.324 76 W C -2.091 174.513 176.519 0.141 0.000 1.040 76 W CA -1.842 55.599 57.345 0.161 0.000 1.222 76 W CB 1.233 30.848 29.460 0.258 0.000 1.381 76 W HN -0.129 nan 8.180 nan 0.000 0.483 77 P HA 0.024 nan 4.420 nan 0.000 0.262 77 P C 0.803 178.171 177.300 0.113 0.000 1.182 77 P CA 1.495 64.670 63.100 0.125 0.000 0.761 77 P CB 0.411 32.167 31.700 0.093 0.000 0.795 78 G N 1.888 110.667 108.800 -0.035 0.000 2.199 78 G HA2 -0.195 3.765 3.960 0.000 0.000 0.254 78 G HA3 -0.195 3.765 3.960 0.000 0.000 0.254 78 G C 0.081 174.677 174.900 -0.507 0.000 0.982 78 G CA -0.264 44.697 45.100 -0.231 0.000 0.632 78 G HN 0.740 nan 8.290 nan 0.000 0.529 79 H N 1.261 120.277 119.070 -0.091 0.000 2.645 79 H HA 0.328 4.884 4.556 0.000 0.000 0.257 79 H C -2.530 172.756 175.328 -0.071 0.000 1.269 79 H CA -1.063 54.907 56.048 -0.129 0.000 1.409 79 H CB 1.936 31.581 29.762 -0.196 0.000 1.434 79 H HN 0.307 nan 8.280 nan 0.000 0.505 80 P HA 0.044 nan 4.420 nan 0.000 0.277 80 P C 0.533 177.887 177.300 0.090 0.000 1.240 80 P CA -0.458 62.594 63.100 -0.080 0.000 0.798 80 P CB 1.019 32.692 31.700 -0.045 0.000 0.979 81 F N -0.514 119.518 119.950 0.136 0.000 2.502 81 F HA 0.038 4.565 4.527 0.000 0.000 0.298 81 F C 1.138 177.116 175.800 0.296 0.000 1.111 81 F CA 0.762 58.864 58.000 0.171 0.000 1.445 81 F CB -0.581 38.536 39.000 0.195 0.000 1.081 81 F HN 0.220 nan 8.300 nan 0.000 0.558 82 D N 0.952 121.589 120.400 0.396 0.000 2.408 82 D HA 0.233 4.873 4.640 0.000 0.000 0.243 82 D C -2.566 173.847 176.300 0.188 0.000 1.075 82 D CA -2.452 51.760 54.000 0.355 0.000 0.832 82 D CB 1.836 42.680 40.800 0.073 0.000 1.162 82 D HN -0.142 nan 8.370 nan 0.000 0.515 83 P HA 0.167 nan 4.420 nan 0.000 0.271 83 P C -2.051 175.389 177.300 0.235 0.000 1.233 83 P CA -0.958 62.293 63.100 0.252 0.000 0.789 83 P CB 0.292 32.078 31.700 0.144 0.000 0.951 84 P HA -0.106 nan 4.420 nan 0.000 0.226 84 P C 1.259 178.454 177.300 -0.175 0.000 1.153 84 P CA 1.060 64.059 63.100 -0.169 0.000 0.777 84 P CB -0.344 30.998 31.700 -0.596 0.000 0.794 85 A N 0.926 123.718 122.820 -0.046 0.000 2.042 85 A HA -0.165 4.155 4.320 0.000 0.000 0.222 85 A C 2.532 180.177 177.584 0.101 0.000 1.167 85 A CA 2.052 54.097 52.037 0.015 0.000 0.649 85 A CB -1.965 17.061 19.000 0.042 0.000 0.809 85 A HN 0.320 nan 8.150 nan 0.000 0.457 86 G N -0.109 108.779 108.800 0.147 0.000 2.432 86 G HA2 -0.159 3.801 3.960 0.000 0.000 0.219 86 G HA3 -0.159 3.801 3.960 0.000 0.000 0.219 86 G C 1.443 176.542 174.900 0.333 0.000 1.135 86 G CA 1.131 46.399 45.100 0.280 0.000 0.767 86 G HN 0.551 nan 8.290 nan 0.000 0.550 87 I N 0.613 121.255 120.570 0.120 0.000 2.162 87 I HA -0.119 4.051 4.170 0.000 0.000 0.238 87 I C 2.964 179.060 176.117 -0.034 0.000 1.076 87 I CA 1.484 62.733 61.300 -0.085 0.000 1.353 87 I CB -0.780 36.985 38.000 -0.391 0.000 1.063 87 I HN 0.018 nan 8.210 nan 0.000 0.408 88 T N 1.153 115.671 114.554 -0.060 0.000 2.759 88 T HA -0.233 4.117 4.350 0.000 0.000 0.269 88 T C 1.704 176.431 174.700 0.046 0.000 1.042 88 T CA 1.644 63.736 62.100 -0.014 0.000 1.140 88 T CB -0.507 68.340 68.868 -0.034 0.000 0.864 88 T HN 0.270 nan 8.240 nan 0.000 0.455 89 F N 2.109 122.026 119.950 -0.055 0.000 2.102 89 F HA -0.003 4.524 4.527 0.000 0.000 0.298 89 F C 2.457 178.156 175.800 -0.168 0.000 1.105 89 F CA 1.024 58.944 58.000 -0.134 0.000 1.239 89 F CB -0.636 38.257 39.000 -0.178 0.000 0.991 89 F HN 0.144 nan 8.300 nan 0.000 0.474 90 A N -0.366 122.495 122.820 0.069 0.000 1.883 90 A HA -0.238 4.082 4.320 0.000 0.000 0.217 90 A C 2.041 179.577 177.584 -0.079 0.000 1.186 90 A CA 1.908 53.989 52.037 0.072 0.000 0.624 90 A CB -1.640 17.492 19.000 0.220 0.000 0.822 90 A HN 0.530 nan 8.150 nan 0.000 0.444 91 Y N 0.244 120.512 120.300 -0.052 0.000 2.224 91 Y HA -0.092 4.458 4.550 0.000 0.000 0.289 91 Y C 2.772 178.627 175.900 -0.075 0.000 1.146 91 Y CA 0.866 58.926 58.100 -0.066 0.000 1.182 91 Y CB -0.988 37.377 38.460 -0.160 0.000 0.983 91 Y HN 0.326 nan 8.280 nan 0.000 0.524 92 G N -0.355 108.415 108.800 -0.050 0.000 2.418 92 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 92 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 92 G C 1.813 176.591 174.900 -0.203 0.000 1.158 92 G CA 0.751 45.783 45.100 -0.114 0.000 0.771 92 G HN 0.295 nan 8.290 nan 0.000 0.545 93 R N -0.368 119.817 120.500 -0.525 0.000 2.090 93 R HA 0.176 4.516 4.340 0.000 0.000 0.228 93 R C 2.596 178.787 176.300 -0.182 0.000 1.110 93 R CA 0.487 56.169 56.100 -0.697 0.000 0.973 93 R CB -0.374 28.904 30.300 -1.703 0.000 0.869 93 R HN 0.327 nan 8.270 nan 0.000 0.440 94 L N -0.200 121.035 121.223 0.019 0.000 2.131 94 L HA -0.180 4.160 4.340 0.000 0.000 0.210 94 L C 2.398 179.397 176.870 0.214 0.000 1.092 94 L CA 1.003 55.956 54.840 0.188 0.000 0.759 94 L CB -0.511 41.688 42.059 0.233 0.000 0.903 94 L HN 0.450 nan 8.230 nan 0.000 0.435 95 W N 1.269 122.592 121.300 0.039 0.000 2.355 95 W HA -0.240 4.420 4.660 0.000 0.000 0.309 95 W C 2.156 178.704 176.519 0.049 0.000 1.206 95 W CA 1.983 59.355 57.345 0.046 0.000 1.284 95 W CB -0.199 29.273 29.460 0.019 0.000 1.145 95 W HN 0.110 nan 8.180 nan 0.000 0.502 96 T N 1.836 116.317 114.554 -0.122 0.000 2.746 96 T HA -0.255 4.095 4.350 0.000 0.000 0.267 96 T C 1.881 176.495 174.700 -0.143 0.000 1.039 96 T CA 2.196 64.177 62.100 -0.200 0.000 1.142 96 T CB -0.521 68.358 68.868 0.017 0.000 0.866 96 T HN 0.159 nan 8.240 nan 0.000 0.444 97 M N 0.889 120.486 119.600 -0.004 0.000 2.108 97 M HA -0.122 4.358 4.480 0.000 0.000 0.261 97 M C 2.618 178.912 176.300 -0.010 0.000 1.066 97 M CA 1.449 56.772 55.300 0.038 0.000 1.107 97 M CB -0.842 31.835 32.600 0.129 0.000 1.356 97 M HN 0.198 nan 8.290 nan 0.000 0.406 98 T N 0.243 114.764 114.554 -0.055 0.000 2.684 98 T HA -0.180 4.170 4.350 0.000 0.000 0.267 98 T C 1.563 176.160 174.700 -0.172 0.000 1.036 98 T CA 1.643 63.707 62.100 -0.060 0.000 1.148 98 T CB -0.382 68.480 68.868 -0.010 0.000 0.863 98 T HN 0.483 nan 8.240 nan 0.000 0.436 99 E N 1.047 120.961 120.200 -0.476 0.000 2.118 99 E HA -0.120 4.230 4.350 0.000 0.000 0.195 99 E C 2.514 179.003 176.600 -0.185 0.000 0.992 99 E CA 1.039 57.184 56.400 -0.424 0.000 0.804 99 E CB -0.244 29.119 29.700 -0.562 0.000 0.741 99 E HN 0.504 nan 8.360 nan 0.000 0.458 100 A N 0.518 123.264 122.820 -0.123 0.000 1.969 100 A HA -0.195 4.125 4.320 0.000 0.000 0.218 100 A C 1.959 179.528 177.584 -0.024 0.000 1.169 100 A CA 1.138 53.142 52.037 -0.055 0.000 0.635 100 A CB -0.541 18.443 19.000 -0.026 0.000 0.810 100 A HN 0.374 nan 8.150 nan 0.000 0.445 101 Y N 0.704 120.946 120.300 -0.097 0.000 2.184 101 Y HA -0.115 4.435 4.550 0.000 0.000 0.290 101 Y C 2.369 178.224 175.900 -0.074 0.000 1.129 101 Y CA 2.118 60.168 58.100 -0.084 0.000 1.144 101 Y CB -0.079 38.326 38.460 -0.091 0.000 0.995 101 Y HN 0.191 nan 8.280 nan 0.000 0.513 102 V N -1.587 118.257 119.914 -0.116 0.000 3.235 102 V HA 0.098 4.218 4.120 0.000 0.000 0.259 102 V C 0.290 176.311 176.094 -0.121 0.000 1.133 102 V CA 0.326 62.546 62.300 -0.134 0.000 1.128 102 V CB -0.584 31.260 31.823 0.035 0.000 0.757 102 V HN 0.281 nan 8.190 nan 0.000 0.469 103 Q N 1.108 120.847 119.800 -0.101 0.000 2.230 103 Q HA 0.395 4.735 4.340 0.000 0.000 0.253 103 Q C -0.480 175.482 176.000 -0.063 0.000 0.919 103 Q CA -0.684 55.088 55.803 -0.051 0.000 0.908 103 Q CB 1.469 30.206 28.738 -0.002 0.000 1.245 103 Q HN 0.369 nan 8.270 nan 0.000 0.437 104 E N 0.275 120.446 120.200 -0.049 0.000 2.398 104 E HA 0.092 4.442 4.350 0.000 0.000 0.263 104 E C 0.788 177.381 176.600 -0.012 0.000 1.046 104 E CA 0.923 57.291 56.400 -0.053 0.000 0.908 104 E CB 0.800 30.453 29.700 -0.077 0.000 0.963 104 E HN 0.929 nan 8.360 nan 0.000 0.431 105 G N 2.166 110.955 108.800 -0.018 0.000 2.159 105 G HA2 -0.342 3.618 3.960 0.000 0.000 0.256 105 G HA3 -0.342 3.618 3.960 0.000 0.000 0.256 105 G C 0.941 175.841 174.900 0.001 0.000 0.977 105 G CA 0.960 46.062 45.100 0.003 0.000 0.652 105 G HN 0.576 nan 8.290 nan 0.000 0.531 106 T N -2.032 112.513 114.554 -0.016 0.000 3.088 106 T HA 0.397 4.747 4.350 0.000 0.000 0.259 106 T C 2.458 177.146 174.700 -0.020 0.000 1.122 106 T CA 1.540 63.627 62.100 -0.021 0.000 1.095 106 T CB 0.090 68.937 68.868 -0.036 0.000 0.930 106 T HN 2.181 nan 8.240 nan 0.000 0.508 107 G N 0.896 109.684 108.800 -0.021 0.000 2.155 107 G HA2 -0.096 3.864 3.960 0.000 0.000 0.257 107 G HA3 -0.096 3.864 3.960 0.000 0.000 0.257 107 G C 0.597 175.487 174.900 -0.016 0.000 0.983 107 G CA -0.060 45.030 45.100 -0.017 0.000 0.676 107 G HN 1.452 nan 8.290 nan 0.000 0.528 108 A N -0.968 121.838 122.820 -0.025 0.000 2.704 108 A HA 0.584 4.904 4.320 0.000 0.000 0.260 108 A C 0.860 178.413 177.584 -0.051 0.000 1.144 108 A CA 1.149 53.179 52.037 -0.011 0.000 0.985 108 A CB 0.239 19.248 19.000 0.015 0.000 1.256 108 A HN 0.894 nan 8.150 nan 0.000 0.598 109 T N 1.208 115.701 114.554 -0.101 0.000 2.750 109 T HA 0.355 4.705 4.350 0.000 0.000 0.277 109 T C 1.445 175.981 174.700 -0.273 0.000 0.996 109 T CA 1.447 63.424 62.100 -0.206 0.000 1.195 109 T CB 0.045 68.822 68.868 -0.153 0.000 0.963 109 T HN 1.633 nan 8.240 nan 0.000 0.516 110 G N 3.219 111.651 108.800 -0.614 0.000 2.155 110 G HA2 -0.265 3.695 3.960 0.000 0.000 0.257 110 G HA3 -0.265 3.695 3.960 0.000 0.000 0.257 110 G C -0.076 174.823 174.900 -0.002 0.000 0.983 110 G CA 0.066 44.824 45.100 -0.571 0.000 0.676 110 G HN 0.889 nan 8.290 nan 0.000 0.528 111 D N 0.478 120.948 120.400 0.117 0.000 2.382 111 D HA 0.397 5.037 4.640 0.000 0.000 0.259 111 D C -0.177 176.263 176.300 0.233 0.000 1.224 111 D CA -1.704 52.397 54.000 0.168 0.000 0.894 111 D CB 0.939 41.805 40.800 0.108 0.000 1.127 111 D HN 0.157 nan 8.370 nan 0.000 0.487 112 P HA -0.095 nan 4.420 nan 0.000 0.220 112 P C 0.776 178.085 177.300 0.015 0.000 1.148 112 P CA 1.056 64.199 63.100 0.072 0.000 0.803 112 P CB 0.198 31.934 31.700 0.060 0.000 0.782 113 A N -0.549 122.288 122.820 0.028 0.000 1.897 113 A HA -0.124 4.196 4.320 0.000 0.000 0.215 113 A C 2.092 179.675 177.584 -0.001 0.000 1.181 113 A CA 1.150 53.193 52.037 0.010 0.000 0.620 113 A CB -1.579 17.432 19.000 0.017 0.000 0.821 113 A HN 0.161 nan 8.150 nan 0.000 0.443 114 L N -0.592 120.644 121.223 0.022 0.000 2.042 114 L HA -0.139 4.201 4.340 0.000 0.000 0.210 114 L C 2.225 179.040 176.870 -0.092 0.000 1.076 114 L CA 1.991 56.840 54.840 0.016 0.000 0.749 114 L CB -0.620 41.496 42.059 0.095 0.000 0.893 114 L HN 0.341 nan 8.230 nan 0.000 0.432 115 L N 0.193 121.275 121.223 -0.234 0.000 1.971 115 L HA -0.197 4.143 4.340 0.000 0.000 0.215 115 L C 2.602 179.348 176.870 -0.207 0.000 1.072 115 L CA 2.344 56.913 54.840 -0.451 0.000 0.758 115 L CB -1.324 40.359 42.059 -0.627 0.000 0.889 115 L HN 0.330 nan 8.230 nan 0.000 0.433 116 A N -1.000 121.750 122.820 -0.116 0.000 1.927 116 A HA -0.296 4.024 4.320 0.000 0.000 0.220 116 A C 2.063 179.620 177.584 -0.045 0.000 1.185 116 A CA 2.255 54.256 52.037 -0.059 0.000 0.639 116 A CB -0.951 18.030 19.000 -0.032 0.000 0.820 116 A HN 0.630 nan 8.150 nan 0.000 0.451 117 D N -0.380 119.996 120.400 -0.040 0.000 2.149 117 D HA -0.058 4.582 4.640 0.000 0.000 0.201 117 D C 1.910 178.208 176.300 -0.004 0.000 0.972 117 D CA 1.145 55.131 54.000 -0.022 0.000 0.835 117 D CB -0.272 40.525 40.800 -0.005 0.000 0.966 117 D HN 0.547 nan 8.370 nan 0.000 0.476 118 I N 0.626 121.191 120.570 -0.007 0.000 2.163 118 I HA -0.270 3.900 4.170 0.000 0.000 0.243 118 I C 2.218 178.355 176.117 0.034 0.000 1.085 118 I CA 0.524 61.842 61.300 0.029 0.000 1.347 118 I CB -0.185 37.811 38.000 -0.007 0.000 1.044 118 I HN -0.014 nan 8.210 nan 0.000 0.408 119 L N 0.626 121.848 121.223 -0.000 0.000 1.978 119 L HA -0.270 4.070 4.340 0.000 0.000 0.218 119 L C 2.658 179.549 176.870 0.036 0.000 1.075 119 L CA 1.896 56.748 54.840 0.019 0.000 0.767 119 L CB -1.125 40.931 42.059 -0.005 0.000 0.890 119 L HN 0.210 nan 8.230 nan 0.000 0.434 120 R N -0.875 119.634 120.500 0.015 0.000 2.083 120 R HA -0.151 4.189 4.340 0.000 0.000 0.237 120 R C 2.226 178.552 176.300 0.044 0.000 1.137 120 R CA 1.535 57.645 56.100 0.017 0.000 0.951 120 R CB -0.720 29.566 30.300 -0.024 0.000 0.851 120 R HN 0.464 nan 8.270 nan 0.000 0.434 121 G N 0.926 109.741 108.800 0.024 0.000 2.459 121 G HA2 -0.261 3.699 3.960 0.000 0.000 0.217 121 G HA3 -0.261 3.699 3.960 0.000 0.000 0.217 121 G C 1.445 176.392 174.900 0.077 0.000 1.183 121 G CA 0.959 46.085 45.100 0.044 0.000 0.776 121 G HN 0.251 nan 8.290 nan 0.000 0.552 122 L N 0.496 121.774 121.223 0.091 0.000 2.012 122 L HA -0.097 4.243 4.340 0.000 0.000 0.210 122 L C 2.662 179.609 176.870 0.128 0.000 1.073 122 L CA 1.433 56.349 54.840 0.127 0.000 0.748 122 L CB -0.495 41.663 42.059 0.164 0.000 0.891 122 L HN 0.108 nan 8.230 nan 0.000 0.431 123 D N -1.100 119.369 120.400 0.116 0.000 2.104 123 D HA -0.248 4.392 4.640 0.000 0.000 0.194 123 D C 2.040 178.426 176.300 0.143 0.000 0.994 123 D CA 1.572 55.642 54.000 0.116 0.000 0.830 123 D CB -0.326 40.530 40.800 0.093 0.000 0.959 123 D HN 0.382 nan 8.370 nan 0.000 0.452 124 H N 0.332 119.433 119.070 0.051 0.000 2.387 124 H HA -0.000 4.556 4.556 0.000 0.000 0.299 124 H C 2.159 177.534 175.328 0.078 0.000 1.090 124 H CA 1.153 57.243 56.048 0.070 0.000 1.332 124 H CB -0.381 29.417 29.762 0.061 0.000 1.386 124 H HN 0.071 nan 8.280 nan 0.000 0.516 125 L N -1.061 120.125 121.223 -0.063 0.000 2.044 125 L HA -0.148 4.192 4.340 0.000 0.000 0.205 125 L C 2.793 179.669 176.870 0.010 0.000 1.075 125 L CA 1.341 56.055 54.840 -0.210 0.000 0.747 125 L CB -0.640 41.206 42.059 -0.356 0.000 0.903 125 L HN 0.282 nan 8.230 nan 0.000 0.435 126 S N -0.176 115.611 115.700 0.145 0.000 2.359 126 S HA -0.236 4.234 4.470 0.000 0.000 0.224 126 S C 2.076 176.817 174.600 0.235 0.000 1.035 126 S CA 1.513 59.857 58.200 0.240 0.000 1.018 126 S CB -0.124 63.194 63.200 0.197 0.000 0.876 126 S HN 0.442 nan 8.310 nan 0.000 0.448 127 A N -0.134 122.759 122.820 0.122 0.000 1.968 127 A HA 0.046 4.366 4.320 0.000 0.000 0.217 127 A C 2.285 179.945 177.584 0.127 0.000 1.169 127 A CA 1.893 53.971 52.037 0.068 0.000 0.638 127 A CB -0.932 18.107 19.000 0.065 0.000 0.812 127 A HN 0.616 nan 8.150 nan 0.000 0.446 128 T N -1.503 113.107 114.554 0.093 0.000 2.925 128 T HA 0.111 4.461 4.350 0.000 0.000 0.245 128 T C 1.661 176.470 174.700 0.182 0.000 1.025 128 T CA 1.645 63.803 62.100 0.096 0.000 1.149 128 T CB -0.067 68.734 68.868 -0.111 0.000 0.866 128 T HN 0.246 nan 8.240 nan 0.000 0.437 129 V N -2.278 117.646 119.914 0.017 0.000 3.058 129 V HA 0.345 4.465 4.120 0.000 0.000 0.233 129 V C 0.395 176.492 176.094 0.004 0.000 1.255 129 V CA -0.310 61.986 62.300 -0.007 0.000 1.267 129 V CB -0.435 31.309 31.823 -0.131 0.000 1.049 129 V HN 0.300 nan 8.190 nan 0.000 0.486 130 Y N 5.033 125.343 120.300 0.017 0.000 2.714 130 Y HA 0.542 5.092 4.550 0.000 0.000 0.333 130 Y C 0.090 176.206 175.900 0.360 0.000 1.220 130 Y CA -0.875 57.369 58.100 0.240 0.000 1.513 130 Y CB -0.830 37.776 38.460 0.243 0.000 1.435 130 Y HN 0.720 nan 8.280 nan 0.000 0.489 131 H N 1.331 120.534 119.070 0.220 0.000 3.003 131 H HA 0.384 4.941 4.556 0.000 0.000 0.327 131 H C -2.884 172.323 175.328 -0.201 0.000 1.353 131 H CA -2.697 53.366 56.048 0.024 0.000 1.142 131 H CB 0.827 30.606 29.762 0.028 0.000 1.864 131 H HN -0.041 nan 8.280 nan 0.000 0.529 132 P HA 0.008 nan 4.420 nan 0.000 0.231 132 P C 0.837 177.707 177.300 -0.717 0.000 1.158 132 P CA 1.786 64.368 63.100 -0.863 0.000 0.763 132 P CB -0.092 31.266 31.700 -0.571 0.000 0.805 133 A N -1.605 121.195 122.820 -0.033 0.000 2.132 133 A HA 0.071 4.391 4.320 0.000 0.000 0.213 133 A C 1.112 178.701 177.584 0.009 0.000 1.154 133 A CA 0.651 52.695 52.037 0.012 0.000 0.753 133 A CB -0.918 18.166 19.000 0.140 0.000 0.826 133 A HN 0.088 nan 8.150 nan 0.000 0.469 134 T N 2.631 117.128 114.554 -0.095 0.000 2.779 134 T HA 0.353 4.703 4.350 0.000 0.000 0.296 134 T C 0.178 174.887 174.700 0.016 0.000 0.938 134 T CA 0.293 62.371 62.100 -0.036 0.000 1.119 134 T CB 0.390 69.215 68.868 -0.072 0.000 0.891 134 T HN 0.423 nan 8.240 nan 0.000 0.526 135 T N 3.453 118.017 114.554 0.018 0.000 2.728 135 T HA 0.372 4.722 4.350 0.000 0.000 0.296 135 T C 0.492 175.095 174.700 -0.161 0.000 0.940 135 T CA -1.036 61.041 62.100 -0.038 0.000 1.013 135 T CB 0.402 69.266 68.868 -0.008 0.000 0.912 135 T HN 0.467 nan 8.240 nan 0.000 0.484 136 R N 2.146 122.378 120.500 -0.447 0.000 2.474 136 R HA 0.036 4.377 4.340 0.000 0.000 0.275 136 R C -0.548 175.517 176.300 -0.391 0.000 0.945 136 R CA 0.673 56.179 56.100 -0.991 0.000 1.115 136 R CB -0.127 29.695 30.300 -0.797 0.000 0.874 136 R HN 0.831 nan 8.270 nan 0.000 0.421 137 Y N -0.318 119.878 120.300 -0.172 0.000 2.477 137 Y HA 0.636 5.186 4.550 0.000 0.000 0.347 137 Y C 0.588 176.725 175.900 0.395 0.000 0.981 137 Y CA -0.445 57.755 58.100 0.167 0.000 1.033 137 Y CB 1.453 40.034 38.460 0.202 0.000 1.245 137 Y HN 0.827 nan 8.280 nan 0.000 0.455 138 G N 2.302 111.351 108.800 0.415 0.000 2.520 138 G HA2 -0.311 3.649 3.960 0.000 0.000 0.248 138 G HA3 -0.311 3.649 3.960 0.000 0.000 0.248 138 G C -0.964 174.121 174.900 0.308 0.000 1.161 138 G CA -0.112 45.200 45.100 0.354 0.000 0.946 138 G HN 1.015 nan 8.290 nan 0.000 0.565 139 N N 2.129 120.978 118.700 0.248 0.000 2.405 139 N HA 0.172 4.912 4.740 0.000 0.000 0.260 139 N C 1.696 177.314 175.510 0.180 0.000 1.152 139 N CA 0.231 53.373 53.050 0.153 0.000 0.948 139 N CB -0.130 38.364 38.487 0.011 0.000 1.111 139 N HN 0.745 nan 8.380 nan 0.000 0.485 140 W N 3.332 124.789 121.300 0.261 0.000 2.308 140 W HA -0.229 4.431 4.660 0.000 0.000 0.301 140 W C 1.152 177.838 176.519 0.279 0.000 1.220 140 W CA 0.266 57.770 57.345 0.266 0.000 1.240 140 W CB -1.222 28.324 29.460 0.144 0.000 1.142 140 W HN 0.661 nan 8.180 nan 0.000 0.521 141 W N 2.740 123.291 121.300 -1.248 0.000 2.363 141 W HA -0.175 4.485 4.660 0.000 0.000 0.296 141 W C 2.374 178.577 176.519 -0.527 0.000 1.212 141 W CA 2.539 59.130 57.345 -1.256 0.000 1.260 141 W CB -0.196 28.451 29.460 -1.355 0.000 1.131 141 W HN -0.196 nan 8.180 nan 0.000 0.530 142 E N -0.817 119.297 120.200 -0.142 0.000 2.150 142 E HA -0.209 4.141 4.350 0.000 0.000 0.193 142 E C 1.650 177.947 176.600 -0.504 0.000 0.985 142 E CA 1.649 57.867 56.400 -0.304 0.000 0.814 142 E CB -0.994 28.485 29.700 -0.367 0.000 0.752 142 E HN 0.537 nan 8.360 nan 0.000 0.466 143 W N 1.174 122.308 121.300 -0.277 0.000 2.525 143 W HA 0.045 4.705 4.660 0.000 0.000 0.288 143 W C 2.228 178.626 176.519 -0.201 0.000 1.200 143 W CA 0.182 57.348 57.345 -0.299 0.000 1.349 143 W CB -0.148 29.097 29.460 -0.358 0.000 1.102 143 W HN 0.022 nan 8.180 nan 0.000 0.558 144 Q N -0.438 119.413 119.800 0.085 0.000 2.408 144 Q HA 0.165 4.505 4.340 0.000 0.000 0.205 144 Q C 1.505 177.405 176.000 -0.167 0.000 0.919 144 Q CA 0.747 56.592 55.803 0.071 0.000 0.932 144 Q CB 0.525 29.425 28.738 0.270 0.000 1.058 144 Q HN 0.412 nan 8.270 nan 0.000 0.517 145 I N -2.133 118.117 120.570 -0.533 0.000 4.079 145 I HA 0.092 4.262 4.170 0.000 0.000 0.276 145 I C 1.917 177.452 176.117 -0.970 0.000 1.146 145 I CA 0.449 61.251 61.300 -0.829 0.000 1.324 145 I CB -0.134 37.127 38.000 -1.233 0.000 1.638 145 I HN 0.109 nan 8.210 nan 0.000 0.436 146 G N 0.846 108.828 108.800 -1.363 0.000 2.484 146 G HA2 -0.209 3.751 3.960 0.000 0.000 0.215 146 G HA3 -0.209 3.751 3.960 0.000 0.000 0.215 146 G C 1.642 176.235 174.900 -0.511 0.000 1.219 146 G CA 1.292 45.849 45.100 -0.906 0.000 0.791 146 G HN 0.272 nan 8.290 nan 0.000 0.550 147 S N 1.499 116.882 115.700 -0.529 0.000 2.348 147 S HA -0.069 4.401 4.470 0.000 0.000 0.221 147 S C 0.320 174.486 174.600 -0.722 0.000 1.033 147 S CA 1.774 59.589 58.200 -0.642 0.000 1.010 147 S CB -0.749 61.934 63.200 -0.861 0.000 0.891 147 S HN 0.382 nan 8.310 nan 0.000 0.442 148 P HA -0.048 nan 4.420 nan 0.000 0.219 148 P C 1.042 178.155 177.300 -0.312 0.000 1.150 148 P CA 1.055 63.954 63.100 -0.335 0.000 0.814 148 P CB -0.093 31.544 31.700 -0.105 0.000 0.787 149 R N -0.734 119.577 120.500 -0.316 0.000 2.200 149 R HA -0.015 4.326 4.340 0.000 0.000 0.234 149 R C 2.293 178.421 176.300 -0.287 0.000 1.127 149 R CA 0.888 56.832 56.100 -0.259 0.000 0.989 149 R CB -0.573 29.584 30.300 -0.239 0.000 0.869 149 R HN 0.275 nan 8.270 nan 0.000 0.459 150 L N -0.814 120.198 121.223 -0.352 0.000 2.316 150 L HA -0.035 4.305 4.340 0.000 0.000 0.207 150 L C 2.017 178.720 176.870 -0.278 0.000 1.070 150 L CA 0.034 54.669 54.840 -0.341 0.000 0.820 150 L CB -0.205 41.708 42.059 -0.243 0.000 0.992 150 L HN 0.123 nan 8.230 nan 0.000 0.466 151 L N -0.285 120.676 121.223 -0.435 0.000 2.012 151 L HA -0.215 4.125 4.340 0.000 0.000 0.210 151 L C 2.455 179.248 176.870 -0.127 0.000 1.073 151 L CA 1.970 56.591 54.840 -0.366 0.000 0.748 151 L CB -0.430 41.265 42.059 -0.607 0.000 0.891 151 L HN 0.166 nan 8.230 nan 0.000 0.431 152 M N -0.613 118.897 119.600 -0.150 0.000 2.117 152 M HA -0.176 4.304 4.480 0.000 0.000 0.262 152 M C 1.977 178.263 176.300 -0.023 0.000 1.065 152 M CA 1.503 56.749 55.300 -0.091 0.000 1.114 152 M CB -1.451 31.054 32.600 -0.159 0.000 1.361 152 M HN 0.284 nan 8.290 nan 0.000 0.408 153 D N 0.182 120.537 120.400 -0.076 0.000 2.144 153 D HA -0.042 4.598 4.640 0.000 0.000 0.200 153 D C 2.177 178.573 176.300 0.160 0.000 0.978 153 D CA 1.008 54.978 54.000 -0.050 0.000 0.833 153 D CB -0.186 40.262 40.800 -0.586 0.000 0.961 153 D HN 0.354 nan 8.370 nan 0.000 0.470 154 I N 0.962 121.658 120.570 0.210 0.000 2.179 154 I HA -0.251 3.919 4.170 0.000 0.000 0.242 154 I C 2.309 178.614 176.117 0.314 0.000 1.088 154 I CA 1.146 62.698 61.300 0.420 0.000 1.357 154 I CB -0.436 37.774 38.000 0.349 0.000 1.051 154 I HN -0.038 nan 8.210 nan 0.000 0.409 155 T N 0.736 115.420 114.554 0.218 0.000 2.720 155 T HA -0.180 4.170 4.350 0.000 0.000 0.268 155 T C 2.027 176.892 174.700 0.274 0.000 1.037 155 T CA 1.487 63.717 62.100 0.216 0.000 1.144 155 T CB -0.340 68.620 68.868 0.153 0.000 0.864 155 T HN 0.491 nan 8.240 nan 0.000 0.444 156 A N 1.261 124.226 122.820 0.242 0.000 1.898 156 A HA 0.249 4.569 4.320 0.000 0.000 0.216 156 A C 2.597 180.370 177.584 0.315 0.000 1.181 156 A CA 1.652 53.840 52.037 0.252 0.000 0.620 156 A CB -0.940 18.217 19.000 0.263 0.000 0.819 156 A HN 0.505 nan 8.150 nan 0.000 0.442 157 A N -0.785 122.261 122.820 0.375 0.000 1.968 157 A HA 0.227 4.547 4.320 0.000 0.000 0.217 157 A C 1.606 179.401 177.584 0.352 0.000 1.169 157 A CA 0.933 53.190 52.037 0.366 0.000 0.638 157 A CB -0.298 18.955 19.000 0.423 0.000 0.812 157 A HN 0.418 nan 8.150 nan 0.000 0.446 158 L N -1.070 120.365 121.223 0.354 0.000 2.848 158 L HA 0.160 4.500 4.340 0.000 0.000 0.240 158 L C 1.501 178.576 176.870 0.342 0.000 1.232 158 L CA -0.229 54.828 54.840 0.362 0.000 1.031 158 L CB -0.290 41.922 42.059 0.255 0.000 1.338 158 L HN 0.479 nan 8.230 nan 0.000 0.509 159 Y N 1.420 121.832 120.300 0.187 0.000 2.128 159 Y HA -0.288 4.262 4.550 0.000 0.000 0.284 159 Y C 2.020 177.959 175.900 0.065 0.000 1.154 159 Y CA 1.831 60.001 58.100 0.116 0.000 1.149 159 Y CB 0.177 38.699 38.460 0.104 0.000 0.976 159 Y HN 0.312 nan 8.280 nan 0.000 0.505 160 D N -1.545 118.918 120.400 0.105 0.000 2.371 160 D HA -0.092 4.548 4.640 0.000 0.000 0.221 160 D C 0.921 177.015 176.300 -0.342 0.000 0.986 160 D CA 1.231 55.138 54.000 -0.156 0.000 0.899 160 D CB -0.190 40.514 40.800 -0.161 0.000 0.902 160 D HN 0.611 nan 8.370 nan 0.000 0.530 161 H N -1.249 117.848 119.070 0.044 0.000 2.893 161 H HA 0.182 4.738 4.556 0.000 0.000 0.270 161 H C 1.333 176.656 175.328 -0.010 0.000 1.095 161 H CA -0.181 55.882 56.048 0.026 0.000 1.186 161 H CB 0.781 30.569 29.762 0.042 0.000 1.562 161 H HN -0.089 nan 8.280 nan 0.000 0.536 162 L N 0.086 121.345 121.223 0.060 0.000 2.477 162 L HA 0.300 4.640 4.340 0.000 0.000 0.220 162 L C 0.910 177.775 176.870 -0.010 0.000 1.106 162 L CA 1.229 56.092 54.840 0.038 0.000 0.851 162 L CB -0.671 41.418 42.059 0.049 0.000 0.994 162 L HN 0.429 nan 8.230 nan 0.000 0.462 163 G N -1.240 107.524 108.800 -0.060 0.000 2.785 163 G HA2 -0.122 3.838 3.960 0.000 0.000 0.685 163 G HA3 -0.122 3.838 3.960 0.000 0.000 0.685 163 G C 0.868 175.715 174.900 -0.088 0.000 1.480 163 G CA 0.008 45.067 45.100 -0.069 0.000 0.915 163 G HN 0.435 nan 8.290 nan 0.000 0.576 164 A N -0.095 122.674 122.820 -0.084 0.000 2.015 164 A HA 0.102 4.422 4.320 0.000 0.000 0.219 164 A C 1.992 179.553 177.584 -0.037 0.000 1.163 164 A CA 2.415 54.407 52.037 -0.075 0.000 0.646 164 A CB -0.252 18.712 19.000 -0.061 0.000 0.806 164 A HN 0.721 nan 8.150 nan 0.000 0.448 165 D N -0.563 119.824 120.400 -0.023 0.000 2.149 165 D HA -0.050 4.590 4.640 0.000 0.000 0.201 165 D C 2.241 178.548 176.300 0.011 0.000 0.972 165 D CA 0.852 54.849 54.000 -0.006 0.000 0.835 165 D CB -0.206 40.592 40.800 -0.003 0.000 0.966 165 D HN 0.401 nan 8.370 nan 0.000 0.476 166 R N 0.176 120.686 120.500 0.018 0.000 2.062 166 R HA -0.031 4.309 4.340 0.000 0.000 0.229 166 R C 2.329 178.662 176.300 0.056 0.000 1.128 166 R CA 0.625 56.753 56.100 0.047 0.000 0.960 166 R CB -0.447 29.885 30.300 0.052 0.000 0.855 166 R HN 0.066 nan 8.270 nan 0.000 0.432 167 V N 1.285 121.220 119.914 0.034 0.000 2.252 167 V HA -0.300 3.820 4.120 0.000 0.000 0.249 167 V C 2.485 178.606 176.094 0.044 0.000 1.056 167 V CA 2.162 64.492 62.300 0.050 0.000 1.022 167 V CB -0.823 31.012 31.823 0.021 0.000 0.641 167 V HN 0.437 nan 8.190 nan 0.000 0.445 168 A N -0.304 122.528 122.820 0.020 0.000 1.933 168 A HA -0.094 4.226 4.320 0.000 0.000 0.218 168 A C 2.379 179.977 177.584 0.022 0.000 1.175 168 A CA 2.131 54.175 52.037 0.012 0.000 0.628 168 A CB -0.714 18.284 19.000 -0.004 0.000 0.814 168 A HN 0.603 nan 8.150 nan 0.000 0.444 169 A N -0.208 122.634 122.820 0.037 0.000 1.897 169 A HA 0.241 4.561 4.320 0.000 0.000 0.215 169 A C 2.497 180.135 177.584 0.090 0.000 1.181 169 A CA 1.802 53.872 52.037 0.055 0.000 0.620 169 A CB -0.987 18.052 19.000 0.064 0.000 0.821 169 A HN 1.018 nan 8.150 nan 0.000 0.443 170 A N -0.584 122.298 122.820 0.103 0.000 1.883 170 A HA -0.233 4.088 4.320 0.000 0.000 0.217 170 A C 2.322 179.959 177.584 0.088 0.000 1.186 170 A CA 1.848 53.957 52.037 0.120 0.000 0.624 170 A CB -1.420 17.642 19.000 0.103 0.000 0.822 170 A HN 0.614 nan 8.150 nan 0.000 0.444 171 C N -1.077 118.253 119.300 0.049 0.000 2.413 171 C HA 0.012 4.472 4.460 0.000 0.000 0.276 171 C C 3.332 178.332 174.990 0.017 0.000 1.236 171 C CA 0.869 59.898 59.018 0.018 0.000 1.735 171 C CB -1.466 26.271 27.740 -0.004 0.000 2.031 171 C HN 0.712 nan 8.230 nan 0.000 0.474 172 A N 0.514 123.343 122.820 0.016 0.000 1.902 172 A HA 0.085 4.405 4.320 0.000 0.000 0.217 172 A C 2.377 179.962 177.584 0.003 0.000 1.181 172 A CA 2.049 54.083 52.037 -0.004 0.000 0.623 172 A CB -0.916 18.073 19.000 -0.018 0.000 0.818 172 A HN 0.582 nan 8.150 nan 0.000 0.443 173 A N -0.435 122.413 122.820 0.046 0.000 1.908 173 A HA -0.045 4.275 4.320 0.000 0.000 0.218 173 A C 2.241 179.892 177.584 0.111 0.000 1.181 173 A CA 1.926 53.998 52.037 0.058 0.000 0.627 173 A CB -1.003 18.102 19.000 0.175 0.000 0.818 173 A HN 0.407 nan 8.150 nan 0.000 0.445 174 V N 0.713 120.710 119.914 0.139 0.000 2.295 174 V HA -0.270 3.850 4.120 0.000 0.000 0.246 174 V C 2.207 178.327 176.094 0.043 0.000 1.049 174 V CA 2.305 64.678 62.300 0.122 0.000 1.024 174 V CB -0.948 30.913 31.823 0.063 0.000 0.648 174 V HN 0.504 nan 8.190 nan 0.000 0.447 175 D N -0.758 119.644 120.400 0.004 0.000 2.149 175 D HA -0.241 4.399 4.640 0.000 0.000 0.194 175 D C 2.061 178.332 176.300 -0.049 0.000 1.001 175 D CA 2.078 56.063 54.000 -0.025 0.000 0.849 175 D CB -0.359 40.424 40.800 -0.028 0.000 0.939 175 D HN 0.658 nan 8.370 nan 0.000 0.449 176 H N -0.810 118.132 119.070 -0.212 0.000 2.357 176 H HA -0.045 4.511 4.556 0.000 0.000 0.301 176 H C 1.626 176.698 175.328 -0.427 0.000 1.082 176 H CA 1.358 57.174 56.048 -0.388 0.000 1.342 176 H CB -0.331 29.063 29.762 -0.613 0.000 1.389 176 H HN 0.054 nan 8.280 nan 0.000 0.511 177 F N -0.712 119.089 119.950 -0.249 0.000 2.569 177 F HA 0.179 4.706 4.527 0.000 0.000 0.295 177 F C 0.761 176.482 175.800 -0.132 0.000 1.115 177 F CA 0.276 58.120 58.000 -0.259 0.000 1.450 177 F CB 0.615 39.555 39.000 -0.101 0.000 1.107 177 F HN -0.060 nan 8.300 nan 0.000 0.563 178 V N 2.433 122.380 119.914 0.056 0.000 2.320 178 V HA 0.268 4.388 4.120 0.000 0.000 0.257 178 V C -2.216 173.863 176.094 -0.026 0.000 0.996 178 V CA -1.743 60.572 62.300 0.026 0.000 0.928 178 V CB -0.088 31.756 31.823 0.035 0.000 1.169 178 V HN -0.149 nan 8.190 nan 0.000 0.475 179 P HA 0.157 nan 4.420 nan 0.000 0.272 179 P C 0.431 177.704 177.300 -0.045 0.000 1.254 179 P CA -0.065 62.998 63.100 -0.062 0.000 0.795 179 P CB 1.177 32.830 31.700 -0.079 0.000 1.022 180 D N 0.168 120.544 120.400 -0.042 0.000 2.190 180 D HA -0.156 4.484 4.640 0.000 0.000 0.200 180 D C 1.968 178.248 176.300 -0.034 0.000 0.992 180 D CA 1.965 55.944 54.000 -0.035 0.000 0.854 180 D CB -0.833 39.948 40.800 -0.031 0.000 0.936 180 D HN 0.385 nan 8.370 nan 0.000 0.462 181 A N 0.439 123.235 122.820 -0.039 0.000 2.019 181 A HA -0.156 4.164 4.320 0.000 0.000 0.219 181 A C 1.973 179.531 177.584 -0.043 0.000 1.164 181 A CA 1.030 53.043 52.037 -0.040 0.000 0.644 181 A CB -0.391 18.581 19.000 -0.047 0.000 0.805 181 A HN 0.100 nan 8.150 nan 0.000 0.449 182 M N -1.172 118.402 119.600 -0.044 0.000 2.632 182 M HA 0.032 4.512 4.480 0.000 0.000 0.256 182 M C 0.356 176.638 176.300 -0.029 0.000 1.080 182 M CA 0.941 56.215 55.300 -0.043 0.000 1.084 182 M CB -0.788 31.796 32.600 -0.027 0.000 1.439 182 M HN 0.241 nan 8.290 nan 0.000 0.509 183 L N -1.239 119.970 121.223 -0.022 0.000 2.965 183 L HA 0.299 4.639 4.340 0.000 0.000 0.254 183 L C 1.481 178.348 176.870 -0.005 0.000 1.220 183 L CA 0.016 54.850 54.840 -0.009 0.000 1.023 183 L CB -0.294 41.756 42.059 -0.015 0.000 1.355 183 L HN 0.119 nan 8.230 nan 0.000 0.545 184 G N -0.748 108.045 108.800 -0.011 0.000 2.593 184 G HA2 0.373 4.333 3.960 0.000 0.000 0.212 184 G HA3 0.373 4.333 3.960 0.000 0.000 0.212 184 G C 0.290 175.195 174.900 0.009 0.000 1.934 184 G CA 0.366 45.460 45.100 -0.009 0.000 0.861 184 G HN 0.323 nan 8.290 nan 0.000 0.629 185 A N -0.579 122.239 122.820 -0.002 0.000 2.488 185 A HA 0.384 4.704 4.320 0.000 0.000 0.249 185 A C -0.672 176.936 177.584 0.039 0.000 1.083 185 A CA -0.254 51.791 52.037 0.012 0.000 0.768 185 A CB -0.192 18.796 19.000 -0.020 0.000 1.017 185 A HN 0.529 nan 8.150 nan 0.000 0.496 186 Y N 3.169 123.431 120.300 -0.065 0.000 2.632 186 Y HA 0.460 5.010 4.550 0.000 0.000 0.336 186 Y C 0.653 176.512 175.900 -0.069 0.000 1.237 186 Y CA 1.031 59.090 58.100 -0.067 0.000 1.595 186 Y CB -0.099 38.321 38.460 -0.066 0.000 1.508 186 Y HN 0.820 nan 8.280 nan 0.000 0.480 187 T N 1.666 116.061 114.554 -0.265 0.000 2.733 187 T HA 0.524 4.874 4.350 0.000 0.000 0.312 187 T C 0.258 174.804 174.700 -0.257 0.000 1.590 187 T CA 0.144 62.098 62.100 -0.243 0.000 1.005 187 T CB 0.387 69.179 68.868 -0.127 0.000 1.528 187 T HN 1.017 nan 8.240 nan 0.000 0.496 188 G N 1.750 110.410 108.800 -0.233 0.000 2.591 188 G HA2 -0.331 3.629 3.960 0.000 0.000 0.298 188 G HA3 -0.331 3.629 3.960 0.000 0.000 0.298 188 G C 1.109 175.817 174.900 -0.319 0.000 1.195 188 G CA 1.567 46.515 45.100 -0.253 0.000 0.989 188 G HN 2.036 nan 8.290 nan 0.000 0.551 189 T N -2.366 111.910 114.554 -0.463 0.000 3.215 189 T HA 0.463 4.813 4.350 0.000 0.000 0.254 189 T C 1.268 175.731 174.700 -0.395 0.000 1.149 189 T CA 1.559 63.268 62.100 -0.652 0.000 1.042 189 T CB 0.249 68.160 68.868 -1.595 0.000 0.966 189 T HN 1.294 nan 8.240 nan 0.000 0.534 190 S N 2.010 117.528 115.700 -0.303 0.000 2.383 190 S HA 0.434 4.904 4.470 0.000 0.000 0.227 190 S C 0.058 174.465 174.600 -0.321 0.000 1.261 190 S CA -0.633 57.442 58.200 -0.209 0.000 1.262 190 S CB -0.490 62.621 63.200 -0.147 0.000 0.992 190 S HN 0.778 nan 8.310 nan 0.000 0.491 191 T N -2.119 112.226 114.554 -0.348 0.000 2.883 191 T HA 0.806 5.156 4.350 0.000 0.000 0.296 191 T C 0.882 175.512 174.700 -0.116 0.000 1.117 191 T CA -0.047 61.706 62.100 -0.579 0.000 1.006 191 T CB 0.972 69.367 68.868 -0.788 0.000 1.191 191 T HN 0.804 nan 8.240 nan 0.000 0.508 192 G N 1.357 110.203 108.800 0.076 0.000 2.634 192 G HA2 -0.095 3.865 3.960 0.000 0.000 0.309 192 G HA3 -0.095 3.865 3.960 0.000 0.000 0.309 192 G C 1.303 176.294 174.900 0.151 0.000 1.265 192 G CA 1.208 46.402 45.100 0.158 0.000 0.998 192 G HN 1.885 nan 8.290 nan 0.000 0.551 193 A N -0.493 122.414 122.820 0.145 0.000 1.972 193 A HA -0.064 4.256 4.320 0.000 0.000 0.219 193 A C 2.230 179.906 177.584 0.154 0.000 1.169 193 A CA 2.392 54.514 52.037 0.142 0.000 0.635 193 A CB -0.530 18.549 19.000 0.132 0.000 0.810 193 A HN 0.665 nan 8.150 nan 0.000 0.446 194 N N -0.141 118.660 118.700 0.169 0.000 2.084 194 N HA -0.184 4.556 4.740 0.000 0.000 0.190 194 N C 1.842 177.431 175.510 0.133 0.000 1.030 194 N CA 1.676 54.852 53.050 0.210 0.000 0.849 194 N CB -0.451 38.193 38.487 0.262 0.000 1.012 194 N HN 0.518 nan 8.380 nan 0.000 0.423 195 R N 1.331 121.889 120.500 0.098 0.000 2.091 195 R HA -0.019 4.322 4.340 0.000 0.000 0.238 195 R C 1.959 178.313 176.300 0.091 0.000 1.136 195 R CA 1.053 57.213 56.100 0.099 0.000 0.959 195 R CB -0.809 29.603 30.300 0.187 0.000 0.856 195 R HN 0.026 nan 8.270 nan 0.000 0.437 196 V N 1.172 121.150 119.914 0.105 0.000 2.295 196 V HA -0.241 3.879 4.120 0.000 0.000 0.246 196 V C 1.776 177.909 176.094 0.065 0.000 1.049 196 V CA 2.305 64.661 62.300 0.093 0.000 1.024 196 V CB -0.572 31.314 31.823 0.105 0.000 0.648 196 V HN 0.365 nan 8.190 nan 0.000 0.447 197 D N -0.179 120.260 120.400 0.064 0.000 2.178 197 D HA -0.090 4.550 4.640 0.000 0.000 0.201 197 D C 2.122 178.413 176.300 -0.016 0.000 0.980 197 D CA 1.014 55.028 54.000 0.023 0.000 0.842 197 D CB -0.070 40.746 40.800 0.027 0.000 0.948 197 D HN 0.354 nan 8.370 nan 0.000 0.472 198 L N 0.095 121.326 121.223 0.014 0.000 2.056 198 L HA -0.172 4.168 4.340 0.000 0.000 0.207 198 L C 2.698 179.552 176.870 -0.025 0.000 1.078 198 L CA 0.786 55.625 54.840 -0.003 0.000 0.749 198 L CB -0.358 41.717 42.059 0.026 0.000 0.901 198 L HN 0.102 nan 8.230 nan 0.000 0.433 199 C N -0.522 118.772 119.300 -0.011 0.000 2.413 199 C HA -0.184 4.276 4.460 0.000 0.000 0.277 199 C C 2.996 177.943 174.990 -0.071 0.000 1.265 199 C CA 1.001 60.002 59.018 -0.028 0.000 1.752 199 C CB -1.067 26.678 27.740 0.008 0.000 1.998 199 C HN 0.502 nan 8.230 nan 0.000 0.489 200 R N 1.153 121.612 120.500 -0.068 0.000 2.083 200 R HA -0.153 4.187 4.340 0.000 0.000 0.237 200 R C 2.176 178.344 176.300 -0.219 0.000 1.137 200 R CA 2.235 58.250 56.100 -0.142 0.000 0.951 200 R CB -0.464 29.792 30.300 -0.074 0.000 0.851 200 R HN 0.431 nan 8.270 nan 0.000 0.434 201 S N 0.055 115.657 115.700 -0.163 0.000 2.356 201 S HA -0.100 4.370 4.470 0.000 0.000 0.223 201 S C 1.956 176.461 174.600 -0.158 0.000 1.032 201 S CA 1.391 59.492 58.200 -0.166 0.000 1.005 201 S CB -0.156 62.971 63.200 -0.121 0.000 0.867 201 S HN 0.221 nan 8.310 nan 0.000 0.449 202 V N 2.148 121.988 119.914 -0.124 0.000 2.332 202 V HA -0.245 3.875 4.120 0.000 0.000 0.248 202 V C 2.632 178.626 176.094 -0.167 0.000 1.055 202 V CA 1.775 64.004 62.300 -0.120 0.000 1.038 202 V CB -1.289 30.482 31.823 -0.087 0.000 0.651 202 V HN 0.542 nan 8.190 nan 0.000 0.450 203 A N -0.242 122.460 122.820 -0.196 0.000 1.883 203 A HA -0.165 4.155 4.320 0.000 0.000 0.217 203 A C 2.186 179.583 177.584 -0.311 0.000 1.186 203 A CA 1.720 53.606 52.037 -0.252 0.000 0.624 203 A CB -0.531 18.323 19.000 -0.243 0.000 0.822 203 A HN 0.389 nan 8.150 nan 0.000 0.444 204 L N -0.405 120.600 121.223 -0.363 0.000 2.056 204 L HA -0.107 4.233 4.340 0.000 0.000 0.207 204 L C 2.626 179.350 176.870 -0.244 0.000 1.078 204 L CA 1.771 56.377 54.840 -0.391 0.000 0.749 204 L CB -1.216 40.567 42.059 -0.460 0.000 0.901 204 L HN 0.500 nan 8.230 nan 0.000 0.433 205 R N 0.376 120.762 120.500 -0.189 0.000 2.127 205 R HA -0.153 4.187 4.340 0.000 0.000 0.238 205 R C 1.995 178.208 176.300 -0.146 0.000 1.134 205 R CA 1.586 57.609 56.100 -0.129 0.000 0.975 205 R CB -0.461 29.780 30.300 -0.099 0.000 0.865 205 R HN 0.397 nan 8.270 nan 0.000 0.447 206 G N -0.215 108.472 108.800 -0.189 0.000 2.403 206 G HA2 -0.122 3.838 3.960 0.000 0.000 0.216 206 G HA3 -0.122 3.838 3.960 0.000 0.000 0.216 206 G C 1.492 176.262 174.900 -0.216 0.000 1.154 206 G CA 0.545 45.516 45.100 -0.214 0.000 0.784 206 G HN 0.224 nan 8.290 nan 0.000 0.538 207 V N 0.599 120.394 119.914 -0.198 0.000 2.407 207 V HA 0.027 4.147 4.120 0.000 0.000 0.245 207 V C 2.734 178.749 176.094 -0.131 0.000 1.041 207 V CA 1.168 63.398 62.300 -0.117 0.000 1.040 207 V CB -0.169 31.560 31.823 -0.156 0.000 0.671 207 V HN 0.308 nan 8.190 nan 0.000 0.455 208 L N 0.082 121.228 121.223 -0.129 0.000 2.307 208 L HA 0.185 4.525 4.340 0.000 0.000 0.211 208 L C 2.232 179.105 176.870 0.004 0.000 1.099 208 L CA 1.149 55.956 54.840 -0.055 0.000 0.816 208 L CB -0.576 41.488 42.059 0.009 0.000 0.952 208 L HN 0.429 nan 8.230 nan 0.000 0.455 209 G N -0.740 108.014 108.800 -0.078 0.000 3.141 209 G HA2 0.029 3.989 3.960 0.000 0.000 0.218 209 G HA3 0.029 3.989 3.960 0.000 0.000 0.218 209 G C 0.608 175.387 174.900 -0.202 0.000 1.170 209 G CA -0.438 44.609 45.100 -0.089 0.000 0.769 209 G HN 0.278 nan 8.290 nan 0.000 0.546 210 R N -1.108 119.169 120.500 -0.371 0.000 3.322 210 R HA -0.211 4.129 4.340 0.000 0.000 0.253 210 R C 0.340 176.287 176.300 -0.587 0.000 0.987 210 R CA 0.400 56.000 56.100 -0.834 0.000 0.666 210 R CB -1.977 27.904 30.300 -0.698 0.000 1.072 210 R HN 0.421 nan 8.270 nan 0.000 0.447 211 A N 0.590 123.208 122.820 -0.337 0.000 2.511 211 A HA 0.437 4.757 4.320 0.000 0.000 0.340 211 A C -1.112 176.422 177.584 -0.084 0.000 1.396 211 A CA -1.454 50.488 52.037 -0.158 0.000 0.887 211 A CB 0.591 19.520 19.000 -0.118 0.000 1.145 211 A HN 0.000 nan 8.150 nan 0.000 0.497 212 P HA -0.252 nan 4.420 nan 0.000 0.217 212 P C 1.455 178.807 177.300 0.087 0.000 1.148 212 P CA 2.052 65.264 63.100 0.188 0.000 0.828 212 P CB 0.257 32.237 31.700 0.466 0.000 0.783 213 A N -0.032 122.824 122.820 0.060 0.000 1.968 213 A HA -0.117 4.203 4.320 0.000 0.000 0.217 213 A C 2.244 179.812 177.584 -0.027 0.000 1.169 213 A CA 1.262 53.326 52.037 0.045 0.000 0.638 213 A CB -0.650 18.370 19.000 0.032 0.000 0.812 213 A HN 0.038 nan 8.150 nan 0.000 0.446 214 K N 0.061 120.412 120.400 -0.081 0.000 2.076 214 K HA 0.077 4.397 4.320 0.000 0.000 0.204 214 K C 1.813 178.309 176.600 -0.173 0.000 1.051 214 K CA 1.016 57.238 56.287 -0.108 0.000 0.949 214 K CB -0.539 31.892 32.500 -0.116 0.000 0.726 214 K HN 0.599 nan 8.250 nan 0.000 0.443 215 I N 1.196 121.584 120.570 -0.304 0.000 2.208 215 I HA -0.282 3.888 4.170 0.000 0.000 0.245 215 I C 2.426 178.368 176.117 -0.292 0.000 1.097 215 I CA 1.433 62.446 61.300 -0.478 0.000 1.363 215 I CB -0.524 36.822 38.000 -1.091 0.000 1.051 215 I HN 0.026 nan 8.210 nan 0.000 0.413 216 A N 0.708 123.445 122.820 -0.139 0.000 1.929 216 A HA -0.142 4.178 4.320 0.000 0.000 0.216 216 A C 2.249 179.864 177.584 0.053 0.000 1.176 216 A CA 1.047 53.159 52.037 0.125 0.000 0.628 216 A CB -0.623 18.538 19.000 0.268 0.000 0.816 216 A HN 0.375 nan 8.150 nan 0.000 0.444 217 L N -0.120 121.104 121.223 0.002 0.000 2.083 217 L HA -0.067 4.273 4.340 0.000 0.000 0.209 217 L C 2.611 179.468 176.870 -0.021 0.000 1.083 217 L CA 2.078 56.912 54.840 -0.009 0.000 0.752 217 L CB -0.720 41.324 42.059 -0.024 0.000 0.899 217 L HN 0.339 nan 8.230 nan 0.000 0.433 218 A N -0.121 122.672 122.820 -0.045 0.000 1.858 218 A HA -0.266 4.054 4.320 0.000 0.000 0.216 218 A C 2.537 180.121 177.584 0.001 0.000 1.190 218 A CA 1.881 53.894 52.037 -0.041 0.000 0.617 218 A CB -0.800 18.150 19.000 -0.084 0.000 0.827 218 A HN 0.528 nan 8.150 nan 0.000 0.443 219 R N -0.393 120.121 120.500 0.023 0.000 2.113 219 R HA -0.239 4.101 4.340 0.000 0.000 0.244 219 R C 1.366 177.696 176.300 0.050 0.000 1.142 219 R CA 2.309 58.455 56.100 0.076 0.000 0.953 219 R CB -0.569 29.810 30.300 0.132 0.000 0.860 219 R HN 0.444 nan 8.270 nan 0.000 0.438 220 D N -0.213 120.203 120.400 0.027 0.000 2.183 220 D HA -0.051 4.589 4.640 0.000 0.000 0.203 220 D C 1.424 177.687 176.300 -0.061 0.000 0.969 220 D CA 1.367 55.364 54.000 -0.004 0.000 0.842 220 D CB -0.020 40.781 40.800 0.002 0.000 0.957 220 D HN 0.441 nan 8.370 nan 0.000 0.484 221 A N -0.040 122.748 122.820 -0.053 0.000 2.218 221 A HA 0.100 4.420 4.320 0.000 0.000 0.209 221 A C 2.101 179.612 177.584 -0.122 0.000 1.168 221 A CA 0.028 52.023 52.037 -0.069 0.000 0.804 221 A CB -0.353 18.630 19.000 -0.028 0.000 0.834 221 A HN 0.168 nan 8.150 nan 0.000 0.482 222 L N -0.633 120.503 121.223 -0.146 0.000 2.141 222 L HA -0.137 4.203 4.340 0.000 0.000 0.209 222 L C 2.671 179.027 176.870 -0.857 0.000 1.094 222 L CA 1.173 55.837 54.840 -0.293 0.000 0.763 222 L CB -0.415 41.633 42.059 -0.017 0.000 0.908 222 L HN 0.329 nan 8.230 nan 0.000 0.437 223 S N 0.263 115.544 115.700 -0.697 0.000 2.374 223 S HA -0.110 4.360 4.470 0.000 0.000 0.227 223 S C -0.680 173.485 174.600 -0.725 0.000 1.037 223 S CA 1.676 59.396 58.200 -0.800 0.000 1.024 223 S CB -1.071 61.962 63.200 -0.280 0.000 0.861 223 S HN 0.393 nan 8.310 nan 0.000 0.456 224 P HA 0.156 nan 4.420 nan 0.000 0.245 224 P C 0.949 177.786 177.300 -0.771 0.000 1.212 224 P CA 0.458 63.119 63.100 -0.732 0.000 0.774 224 P CB -0.096 30.982 31.700 -1.036 0.000 0.999 225 V N -1.397 118.175 119.914 -0.571 0.000 3.129 225 V HA -0.097 4.023 4.120 0.000 0.000 0.259 225 V C 1.994 178.116 176.094 0.046 0.000 1.116 225 V CA 1.212 63.410 62.300 -0.170 0.000 1.127 225 V CB -1.253 30.550 31.823 -0.033 0.000 0.742 225 V HN -0.053 nan 8.190 nan 0.000 0.474 226 F N 0.189 120.122 119.950 -0.029 0.000 2.163 226 F HA 0.157 4.684 4.527 0.000 0.000 0.297 226 F C -0.802 174.942 175.800 -0.093 0.000 1.094 226 F CA -1.319 56.673 58.000 -0.013 0.000 1.290 226 F CB -2.338 36.659 39.000 -0.004 0.000 1.017 226 F HN 0.254 nan 8.300 nan 0.000 0.483 227 P HA -0.059 nan 4.420 nan 0.000 0.269 227 P C -0.803 176.494 177.300 -0.006 0.000 1.209 227 P CA -0.066 62.999 63.100 -0.058 0.000 0.776 227 P CB 0.115 31.789 31.700 -0.043 0.000 0.876 228 Y N 0.518 120.845 120.300 0.045 0.000 2.702 228 Y HA 0.105 4.655 4.550 0.000 0.000 0.336 228 Y C 1.296 177.130 175.900 -0.110 0.000 1.235 228 Y CA -0.510 57.584 58.100 -0.010 0.000 1.492 228 Y CB -0.461 38.007 38.460 0.013 0.000 1.308 228 Y HN 0.119 nan 8.280 nan 0.000 0.589 229 V N 0.222 120.079 119.914 -0.096 0.000 3.170 229 V HA 0.576 4.696 4.120 0.000 0.000 0.309 229 V C 0.552 176.340 176.094 -0.509 0.000 1.071 229 V CA 0.020 62.145 62.300 -0.292 0.000 1.063 229 V CB 1.448 33.054 31.823 -0.363 0.000 1.123 229 V HN 0.898 nan 8.190 nan 0.000 0.464 230 T N -2.126 112.242 114.554 -0.311 0.000 3.043 230 T HA 0.357 4.707 4.350 0.000 0.000 0.272 230 T C 0.179 174.921 174.700 0.070 0.000 0.990 230 T CA 0.223 62.252 62.100 -0.120 0.000 0.897 230 T CB -0.336 68.546 68.868 0.022 0.000 1.111 230 T HN 1.056 nan 8.240 nan 0.000 0.529 231 K N -0.024 120.358 120.400 -0.030 0.000 2.556 231 K HA 0.643 4.963 4.320 0.000 0.000 0.274 231 K C 0.345 176.955 176.600 0.016 0.000 0.966 231 K CA -0.604 55.745 56.287 0.103 0.000 0.865 231 K CB 1.194 33.733 32.500 0.065 0.000 1.444 231 K HN 0.331 nan 8.250 nan 0.000 0.433 232 G N 1.372 110.176 108.800 0.007 0.000 2.601 232 G HA2 -0.216 3.745 3.960 0.000 0.000 0.252 232 G HA3 -0.216 3.745 3.960 0.000 0.000 0.252 232 G C -1.176 173.687 174.900 -0.061 0.000 1.294 232 G CA 0.180 45.206 45.100 -0.124 0.000 0.912 232 G HN 0.790 nan 8.290 nan 0.000 0.574 233 D N 1.730 122.054 120.400 -0.126 0.000 2.382 233 D HA 0.557 5.197 4.640 0.000 0.000 0.245 233 D C 0.920 177.109 176.300 -0.184 0.000 1.120 233 D CA 1.902 55.810 54.000 -0.154 0.000 0.890 233 D CB 0.860 41.579 40.800 -0.135 0.000 1.201 233 D HN 1.769 nan 8.370 nan 0.000 0.433 234 G N 0.019 108.616 108.800 -0.339 0.000 2.359 234 G HA2 0.137 4.097 3.960 0.000 0.000 0.303 234 G HA3 0.137 4.097 3.960 0.000 0.000 0.303 234 G C -1.686 173.039 174.900 -0.291 0.000 1.293 234 G CA -1.062 43.864 45.100 -0.289 0.000 0.964 234 G HN 0.428 nan 8.290 nan 0.000 0.531 235 L N 0.406 121.712 121.223 0.138 0.000 2.326 235 L HA 0.779 5.119 4.340 0.000 0.000 0.278 235 L C -0.399 176.616 176.870 0.241 0.000 1.092 235 L CA -0.695 54.403 54.840 0.430 0.000 0.810 235 L CB 0.281 42.684 42.059 0.573 0.000 1.153 235 L HN 0.558 nan 8.230 nan 0.000 0.439 236 Y N 2.809 123.158 120.300 0.081 0.000 2.568 236 Y HA 0.507 5.057 4.550 0.000 0.000 0.327 236 Y C 1.275 176.879 175.900 -0.493 0.000 1.163 236 Y CA -0.385 57.665 58.100 -0.083 0.000 1.219 236 Y CB 1.515 39.947 38.460 -0.047 0.000 1.308 236 Y HN 0.702 nan 8.280 nan 0.000 0.503 237 A N 0.275 122.772 122.820 -0.539 0.000 1.972 237 A HA -0.200 4.120 4.320 0.000 0.000 0.219 237 A C 1.473 178.914 177.584 -0.238 0.000 1.169 237 A CA 1.977 53.451 52.037 -0.938 0.000 0.635 237 A CB -0.719 18.042 19.000 -0.398 0.000 0.810 237 A HN 0.858 nan 8.150 nan 0.000 0.446 238 D N -2.550 117.836 120.400 -0.024 0.000 2.340 238 D HA 0.285 4.925 4.640 0.000 0.000 0.220 238 D C 1.148 177.454 176.300 0.009 0.000 1.039 238 D CA 1.049 55.081 54.000 0.054 0.000 0.866 238 D CB -0.326 40.477 40.800 0.006 0.000 0.913 238 D HN 0.734 nan 8.370 nan 0.000 0.523 239 G N -0.583 108.253 108.800 0.060 0.000 2.218 239 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 239 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 239 G C 0.417 175.366 174.900 0.082 0.000 0.994 239 G CA 0.088 45.216 45.100 0.046 0.000 0.637 239 G HN 0.410 nan 8.290 nan 0.000 0.505 240 S N -0.098 115.692 115.700 0.149 0.000 2.576 240 S HA 0.572 5.042 4.470 0.000 0.000 0.272 240 S C -0.547 174.153 174.600 0.166 0.000 1.352 240 S CA 0.412 58.616 58.200 0.005 0.000 1.021 240 S CB 1.181 64.291 63.200 -0.149 0.000 0.887 240 S HN 0.825 nan 8.310 nan 0.000 0.542 241 F N 1.566 121.483 119.950 -0.055 0.000 2.617 241 F HA 0.512 5.039 4.527 0.000 0.000 0.325 241 F C -0.984 174.875 175.800 0.098 0.000 1.179 241 F CA -0.590 57.461 58.000 0.085 0.000 0.965 241 F CB 0.962 40.002 39.000 0.068 0.000 1.232 241 F HN 0.294 nan 8.300 nan 0.000 0.461 242 V N 5.563 125.314 119.914 -0.272 0.000 2.715 242 V HA 0.628 4.748 4.120 0.000 0.000 0.310 242 V C -0.724 175.250 176.094 -0.200 0.000 1.054 242 V CA -0.551 61.680 62.300 -0.114 0.000 0.928 242 V CB 1.880 33.706 31.823 0.006 0.000 1.007 242 V HN 0.646 nan 8.190 nan 0.000 0.437 243 Q N 0.752 120.564 119.800 0.020 0.000 2.501 243 Q HA 0.462 4.803 4.340 0.000 0.000 0.288 243 Q C -0.209 175.855 176.000 0.107 0.000 1.051 243 Q CA -0.801 54.976 55.803 -0.042 0.000 0.788 243 Q CB 1.759 30.360 28.738 -0.229 0.000 1.469 243 Q HN 0.952 nan 8.270 nan 0.000 0.416 244 H N 0.377 119.449 119.070 0.004 0.000 2.820 244 H HA -0.246 4.310 4.556 0.000 0.000 0.295 244 H C -0.016 175.228 175.328 -0.140 0.000 1.187 244 H CA 0.377 56.429 56.048 0.007 0.000 1.144 244 H CB -1.063 28.823 29.762 0.206 0.000 1.354 244 H HN 0.903 nan 8.280 nan 0.000 0.395 245 T N -4.324 110.118 114.554 -0.188 0.000 11.675 245 T HA -0.331 4.019 4.350 0.000 0.000 0.407 245 T C 0.800 175.137 174.700 -0.605 0.000 1.535 245 T CA 2.137 63.854 62.100 -0.638 0.000 2.503 245 T CB -1.293 66.856 68.868 -1.199 0.000 2.785 245 T HN 0.708 nan 8.240 nan 0.000 0.895 246 W N 0.837 122.208 121.300 0.118 0.000 2.534 246 W HA 0.619 5.279 4.660 0.000 0.000 0.339 246 W C -0.456 176.091 176.519 0.047 0.000 0.961 246 W CA -0.481 56.908 57.345 0.073 0.000 1.545 246 W CB 0.864 30.363 29.460 0.065 0.000 1.104 246 W HN 0.112 nan 8.180 nan 0.000 0.538 247 V N 1.697 121.741 119.914 0.218 0.000 2.448 247 V HA 0.685 4.805 4.120 0.000 0.000 0.295 247 V C 0.443 176.528 176.094 -0.015 0.000 1.025 247 V CA -1.410 60.940 62.300 0.083 0.000 0.859 247 V CB 0.966 32.828 31.823 0.066 0.000 0.988 247 V HN 0.034 nan 8.190 nan 0.000 0.431 248 A N 3.940 126.693 122.820 -0.112 0.000 2.491 248 A HA 0.457 4.777 4.320 0.000 0.000 0.261 248 A C -0.222 177.245 177.584 -0.195 0.000 1.101 248 A CA 0.410 52.384 52.037 -0.105 0.000 0.772 248 A CB -0.426 18.511 19.000 -0.105 0.000 1.043 248 A HN 0.970 nan 8.150 nan 0.000 0.501 249 Y N 1.644 121.967 120.300 0.038 0.000 2.809 249 Y HA 0.041 4.591 4.550 0.000 0.000 0.251 249 Y C 1.806 177.809 175.900 0.171 0.000 1.136 249 Y CA 0.039 58.182 58.100 0.072 0.000 1.185 249 Y CB 0.780 39.271 38.460 0.052 0.000 1.260 249 Y HN 0.740 nan 8.280 nan 0.000 0.576 250 S N -0.252 115.619 115.700 0.285 0.000 2.383 250 S HA -0.222 4.248 4.470 0.000 0.000 0.229 250 S C 2.270 176.914 174.600 0.074 0.000 1.030 250 S CA 1.542 59.864 58.200 0.203 0.000 1.002 250 S CB -0.447 62.756 63.200 0.004 0.000 0.829 250 S HN 0.752 nan 8.310 nan 0.000 0.467 251 G N 1.334 110.155 108.800 0.034 0.000 2.418 251 G HA2 -0.208 3.752 3.960 0.000 0.000 0.217 251 G HA3 -0.208 3.752 3.960 0.000 0.000 0.217 251 G C 1.590 176.438 174.900 -0.087 0.000 1.158 251 G CA 1.756 46.827 45.100 -0.050 0.000 0.771 251 G HN 0.655 nan 8.290 nan 0.000 0.545 252 T N -2.984 111.546 114.554 -0.040 0.000 3.056 252 T HA 0.487 4.837 4.350 0.000 0.000 0.243 252 T C 2.496 177.128 174.700 -0.114 0.000 0.995 252 T CA 1.175 63.218 62.100 -0.095 0.000 1.091 252 T CB -0.089 68.703 68.868 -0.125 0.000 0.990 252 T HN 0.267 nan 8.240 nan 0.000 0.464 253 A N 1.643 124.417 122.820 -0.076 0.000 1.968 253 A HA 0.402 4.722 4.320 0.000 0.000 0.217 253 A C 2.522 179.979 177.584 -0.212 0.000 1.169 253 A CA 1.413 53.424 52.037 -0.044 0.000 0.638 253 A CB -1.480 17.622 19.000 0.170 0.000 0.812 253 A HN 0.593 nan 8.150 nan 0.000 0.446 254 G N -0.738 107.824 108.800 -0.397 0.000 2.418 254 G HA2 -0.294 3.666 3.960 0.000 0.000 0.217 254 G HA3 -0.294 3.666 3.960 0.000 0.000 0.217 254 G C 1.608 176.103 174.900 -0.674 0.000 1.158 254 G CA 1.064 45.711 45.100 -0.754 0.000 0.771 254 G HN 0.483 nan 8.290 nan 0.000 0.545 255 Q N 0.563 120.099 119.800 -0.439 0.000 2.112 255 Q HA -0.122 4.218 4.340 0.000 0.000 0.206 255 Q C 2.718 178.568 176.000 -0.250 0.000 0.987 255 Q CA 1.816 57.420 55.803 -0.332 0.000 0.858 255 Q CB -0.497 28.118 28.738 -0.205 0.000 0.905 255 Q HN 0.345 nan 8.270 nan 0.000 0.420 256 V N 1.610 121.410 119.914 -0.190 0.000 2.295 256 V HA -0.294 3.826 4.120 0.000 0.000 0.246 256 V C 2.630 178.662 176.094 -0.103 0.000 1.049 256 V CA 2.005 64.243 62.300 -0.103 0.000 1.024 256 V CB -0.735 31.059 31.823 -0.049 0.000 0.648 256 V HN 0.488 nan 8.190 nan 0.000 0.447 257 M N -0.495 119.015 119.600 -0.150 0.000 2.082 257 M HA -0.246 4.234 4.480 0.000 0.000 0.258 257 M C 2.181 178.383 176.300 -0.164 0.000 1.071 257 M CA 2.274 57.505 55.300 -0.116 0.000 1.103 257 M CB -0.295 32.193 32.600 -0.185 0.000 1.307 257 M HN 0.255 nan 8.290 nan 0.000 0.409 258 L N -0.135 120.915 121.223 -0.289 0.000 2.056 258 L HA -0.211 4.129 4.340 0.000 0.000 0.207 258 L C 2.175 178.925 176.870 -0.200 0.000 1.078 258 L CA 1.902 56.570 54.840 -0.287 0.000 0.749 258 L CB -0.913 40.895 42.059 -0.418 0.000 0.901 258 L HN 0.467 nan 8.230 nan 0.000 0.433 259 D N -0.134 120.164 120.400 -0.170 0.000 2.084 259 D HA -0.155 4.485 4.640 0.000 0.000 0.194 259 D C 2.137 178.405 176.300 -0.053 0.000 0.990 259 D CA 1.449 55.386 54.000 -0.105 0.000 0.826 259 D CB -0.039 40.706 40.800 -0.093 0.000 0.971 259 D HN 0.198 nan 8.370 nan 0.000 0.453 260 G N 0.358 109.136 108.800 -0.036 0.000 2.459 260 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 260 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 260 G C 1.714 176.622 174.900 0.013 0.000 1.183 260 G CA 0.819 45.931 45.100 0.019 0.000 0.776 260 G HN 0.322 nan 8.290 nan 0.000 0.552 261 L N 0.825 122.005 121.223 -0.072 0.000 2.056 261 L HA 0.056 4.396 4.340 0.000 0.000 0.207 261 L C 3.216 179.911 176.870 -0.292 0.000 1.078 261 L CA 0.871 55.587 54.840 -0.207 0.000 0.749 261 L CB -0.726 41.094 42.059 -0.399 0.000 0.901 261 L HN 0.328 nan 8.230 nan 0.000 0.433 262 G N -0.053 108.623 108.800 -0.206 0.000 2.476 262 G HA2 -0.283 3.677 3.960 0.000 0.000 0.218 262 G HA3 -0.283 3.677 3.960 0.000 0.000 0.218 262 G C 1.729 176.671 174.900 0.071 0.000 1.164 262 G CA 0.700 45.754 45.100 -0.076 0.000 0.768 262 G HN 0.272 nan 8.290 nan 0.000 0.560 263 R N -0.315 120.242 120.500 0.097 0.000 2.083 263 R HA 0.003 4.343 4.340 0.000 0.000 0.237 263 R C 2.652 179.168 176.300 0.359 0.000 1.137 263 R CA 1.294 57.528 56.100 0.222 0.000 0.951 263 R CB -0.424 30.041 30.300 0.275 0.000 0.851 263 R HN 0.364 nan 8.270 nan 0.000 0.434 264 L N -0.965 120.445 121.223 0.311 0.000 2.131 264 L HA -0.076 4.264 4.340 0.000 0.000 0.206 264 L C 2.109 179.239 176.870 0.434 0.000 1.087 264 L CA 0.668 55.708 54.840 0.334 0.000 0.767 264 L CB -0.346 41.884 42.059 0.285 0.000 0.917 264 L HN 0.063 nan 8.230 nan 0.000 0.441 265 F N 0.664 120.705 119.950 0.152 0.000 2.102 265 F HA -0.172 4.355 4.527 0.000 0.000 0.298 265 F C 2.743 178.615 175.800 0.118 0.000 1.105 265 F CA 1.392 59.467 58.000 0.124 0.000 1.239 265 F CB -1.397 37.665 39.000 0.104 0.000 0.991 265 F HN 0.002 nan 8.300 nan 0.000 0.474 266 T N 0.919 115.676 114.554 0.338 0.000 2.708 266 T HA -0.189 4.161 4.350 0.000 0.000 0.266 266 T C 2.084 176.914 174.700 0.217 0.000 1.037 266 T CA 1.316 63.554 62.100 0.230 0.000 1.146 266 T CB -0.715 68.261 68.868 0.180 0.000 0.865 266 T HN 0.149 nan 8.240 nan 0.000 0.435 267 L N 0.837 122.225 121.223 0.276 0.000 2.013 267 L HA -0.023 4.317 4.340 0.000 0.000 0.212 267 L C 1.935 178.921 176.870 0.194 0.000 1.073 267 L CA 1.838 56.847 54.840 0.281 0.000 0.753 267 L CB -0.529 41.727 42.059 0.328 0.000 0.890 267 L HN 0.261 nan 8.230 nan 0.000 0.432 268 L N -0.452 120.880 121.223 0.181 0.000 2.529 268 L HA 0.282 4.622 4.340 0.000 0.000 0.223 268 L C 1.228 178.170 176.870 0.120 0.000 1.113 268 L CA 0.033 54.970 54.840 0.161 0.000 0.861 268 L CB -0.564 41.589 42.059 0.157 0.000 1.012 268 L HN 0.253 nan 8.230 nan 0.000 0.461 269 A N 0.296 123.177 122.820 0.100 0.000 2.520 269 A HA 0.383 4.703 4.320 0.000 0.000 0.245 269 A C 1.462 179.069 177.584 0.038 0.000 1.072 269 A CA 0.740 52.808 52.037 0.051 0.000 0.761 269 A CB -0.204 18.829 19.000 0.055 0.000 1.004 269 A HN 0.556 nan 8.150 nan 0.000 0.499 270 G N 1.221 110.023 108.800 0.003 0.000 2.234 270 G HA2 -0.219 3.741 3.960 0.000 0.000 0.260 270 G HA3 -0.219 3.741 3.960 0.000 0.000 0.260 270 G C 0.740 175.626 174.900 -0.024 0.000 0.987 270 G CA 1.242 46.334 45.100 -0.013 0.000 0.625 270 G HN 2.205 nan 8.290 nan 0.000 0.532 271 S N -0.184 115.518 115.700 0.003 0.000 2.738 271 S HA 0.590 5.060 4.470 0.000 0.000 0.284 271 S C 1.353 175.859 174.600 -0.157 0.000 1.146 271 S CA 0.536 58.724 58.200 -0.020 0.000 0.997 271 S CB 1.517 64.813 63.200 0.160 0.000 1.081 271 S HN 0.758 nan 8.310 nan 0.000 0.553 272 E N -0.130 119.801 120.200 -0.447 0.000 2.418 272 E HA -0.067 4.283 4.350 0.000 0.000 0.197 272 E C 0.017 176.213 176.600 -0.674 0.000 1.026 272 E CA 0.423 56.403 56.400 -0.700 0.000 0.862 272 E CB -0.123 28.983 29.700 -0.991 0.000 0.799 272 E HN 0.839 nan 8.360 nan 0.000 0.518 273 W N 3.210 124.482 121.300 -0.047 0.000 3.067 273 W HA 0.191 4.851 4.660 0.000 0.000 0.417 273 W C -0.152 176.346 176.519 -0.034 0.000 1.029 273 W CA -0.673 56.653 57.345 -0.032 0.000 1.992 273 W CB -0.263 29.184 29.460 -0.021 0.000 1.122 273 W HN 0.108 nan 8.180 nan 0.000 0.681 274 E N 0.540 120.793 120.200 0.089 0.000 2.442 274 E HA 0.138 4.489 4.350 0.000 0.000 0.262 274 E C 0.132 176.726 176.600 -0.011 0.000 1.004 274 E CA -0.119 56.300 56.400 0.031 0.000 0.928 274 E CB 1.099 30.786 29.700 -0.021 0.000 0.937 274 E HN -0.205 nan 8.360 nan 0.000 0.446 275 V N 4.274 124.138 119.914 -0.083 0.000 2.493 275 V HA -0.032 4.088 4.120 0.000 0.000 0.292 275 V C 1.300 177.303 176.094 -0.151 0.000 1.016 275 V CA 0.985 63.203 62.300 -0.137 0.000 1.097 275 V CB 0.359 31.955 31.823 -0.379 0.000 0.947 275 V HN 1.013 nan 8.190 nan 0.000 0.479 276 T N -0.287 114.226 114.554 -0.069 0.000 2.955 276 T HA 0.071 4.421 4.350 0.000 0.000 0.251 276 T C 0.606 175.281 174.700 -0.042 0.000 1.002 276 T CA -0.188 61.871 62.100 -0.068 0.000 0.970 276 T CB -0.017 68.823 68.868 -0.047 0.000 1.091 276 T HN 0.552 nan 8.240 nan 0.000 0.495 277 D N 4.527 124.937 120.400 0.017 0.000 2.793 277 D HA -0.023 4.617 4.640 0.000 0.000 0.230 277 D C -1.012 175.288 176.300 0.000 0.000 1.139 277 D CA -1.145 52.895 54.000 0.068 0.000 0.838 277 D CB 1.217 42.160 40.800 0.238 0.000 1.149 277 D HN 0.142 nan 8.370 nan 0.000 0.526 278 P HA -0.103 nan 4.420 nan 0.000 0.221 278 P C 1.314 178.584 177.300 -0.050 0.000 1.145 278 P CA 0.939 64.016 63.100 -0.039 0.000 0.795 278 P CB 0.044 31.732 31.700 -0.021 0.000 0.775 279 G N 1.741 110.552 108.800 0.018 0.000 2.479 279 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 279 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 279 G C 1.696 176.441 174.900 -0.258 0.000 1.115 279 G CA 0.512 45.620 45.100 0.014 0.000 0.757 279 G HN 0.398 nan 8.290 nan 0.000 0.560 280 R N -0.201 120.003 120.500 -0.493 0.000 2.193 280 R HA -0.068 4.272 4.340 0.000 0.000 0.229 280 R C 2.138 178.274 176.300 -0.273 0.000 1.110 280 R CA 1.531 57.157 56.100 -0.789 0.000 0.988 280 R CB -0.376 29.476 30.300 -0.746 0.000 0.871 280 R HN 0.331 nan 8.270 nan 0.000 0.458 281 Q N 0.840 120.543 119.800 -0.162 0.000 2.291 281 Q HA -0.022 4.318 4.340 0.000 0.000 0.206 281 Q C 1.619 177.615 176.000 -0.006 0.000 0.976 281 Q CA 1.041 56.817 55.803 -0.044 0.000 0.875 281 Q CB 0.021 28.738 28.738 -0.036 0.000 0.927 281 Q HN 0.326 nan 8.270 nan 0.000 0.450 282 L N -1.170 120.008 121.223 -0.075 0.000 2.240 282 L HA -0.042 4.298 4.340 0.000 0.000 0.211 282 L C 2.027 178.936 176.870 0.065 0.000 1.106 282 L CA 0.805 55.609 54.840 -0.061 0.000 0.793 282 L CB -0.943 40.910 42.059 -0.343 0.000 0.927 282 L HN 0.089 nan 8.230 nan 0.000 0.446 283 V N -0.649 119.287 119.914 0.038 0.000 2.323 283 V HA -0.228 3.892 4.120 0.000 0.000 0.244 283 V C 2.430 178.611 176.094 0.144 0.000 1.041 283 V CA 1.255 63.611 62.300 0.094 0.000 1.025 283 V CB -0.349 31.489 31.823 0.025 0.000 0.656 283 V HN 0.295 nan 8.190 nan 0.000 0.451 284 L N -0.251 121.096 121.223 0.206 0.000 2.056 284 L HA -0.161 4.179 4.340 0.000 0.000 0.207 284 L C 2.338 179.405 176.870 0.328 0.000 1.078 284 L CA 1.508 56.564 54.840 0.360 0.000 0.749 284 L CB -0.826 41.454 42.059 0.368 0.000 0.901 284 L HN 0.292 nan 8.230 nan 0.000 0.433 285 D N -0.157 120.384 120.400 0.236 0.000 2.221 285 D HA -0.162 4.478 4.640 0.000 0.000 0.204 285 D C 2.384 178.811 176.300 0.212 0.000 0.982 285 D CA 1.581 55.709 54.000 0.213 0.000 0.857 285 D CB -0.095 40.794 40.800 0.150 0.000 0.934 285 D HN 0.359 nan 8.370 nan 0.000 0.475 286 S N -0.322 115.497 115.700 0.198 0.000 2.442 286 S HA -0.103 4.367 4.470 0.000 0.000 0.236 286 S C 2.117 176.772 174.600 0.091 0.000 1.007 286 S CA 0.572 58.866 58.200 0.156 0.000 0.965 286 S CB -0.420 62.894 63.200 0.189 0.000 0.773 286 S HN 0.086 nan 8.310 nan 0.000 0.504 287 V N 1.894 121.803 119.914 -0.009 0.000 2.343 287 V HA -0.124 3.996 4.120 0.000 0.000 0.247 287 V C 2.651 178.681 176.094 -0.106 0.000 1.051 287 V CA 2.211 64.380 62.300 -0.218 0.000 1.036 287 V CB -0.616 30.550 31.823 -1.094 0.000 0.654 287 V HN 0.585 nan 8.190 nan 0.000 0.451 288 E N -1.535 118.660 120.200 -0.008 0.000 2.340 288 E HA -0.074 4.276 4.350 0.000 0.000 0.194 288 E C 1.985 178.665 176.600 0.133 0.000 0.996 288 E CA 0.514 56.963 56.400 0.082 0.000 0.869 288 E CB 0.138 29.939 29.700 0.170 0.000 0.835 288 E HN 0.728 nan 8.360 nan 0.000 0.493 289 H N -0.316 118.779 119.070 0.042 0.000 2.516 289 H HA 0.252 4.808 4.556 0.000 0.000 0.284 289 H C 1.540 176.909 175.328 0.069 0.000 0.999 289 H CA 1.247 57.339 56.048 0.074 0.000 1.303 289 H CB 0.408 30.229 29.762 0.098 0.000 1.452 289 H HN 0.105 nan 8.280 nan 0.000 0.530 290 A N -0.904 121.836 122.820 -0.133 0.000 1.963 290 A HA 0.129 4.449 4.320 0.000 0.000 0.207 290 A C 1.323 178.555 177.584 -0.585 0.000 1.243 290 A CA 0.339 52.116 52.037 -0.433 0.000 0.728 290 A CB -0.321 18.187 19.000 -0.819 0.000 0.895 290 A HN 0.387 nan 8.150 nan 0.000 0.467 291 Y N -0.740 119.488 120.300 -0.120 0.000 2.422 291 Y HA 0.366 4.916 4.550 0.000 0.000 0.291 291 Y C 2.833 178.635 175.900 -0.163 0.000 1.144 291 Y CA 0.117 58.100 58.100 -0.194 0.000 1.208 291 Y CB -0.750 37.571 38.460 -0.232 0.000 1.195 291 Y HN 0.232 nan 8.280 nan 0.000 0.535 292 A N 0.927 123.793 122.820 0.078 0.000 1.958 292 A HA -0.169 4.151 4.320 0.000 0.000 0.221 292 A C -0.399 177.230 177.584 0.073 0.000 1.178 292 A CA 1.942 54.081 52.037 0.170 0.000 0.642 292 A CB -1.813 17.348 19.000 0.269 0.000 0.816 292 A HN 0.304 nan 8.150 nan 0.000 0.453 293 P HA -0.002 nan 4.420 nan 0.000 0.230 293 P C 0.787 178.051 177.300 -0.059 0.000 1.158 293 P CA 0.687 63.685 63.100 -0.169 0.000 0.769 293 P CB 0.003 31.408 31.700 -0.492 0.000 0.807 294 L N -1.655 119.518 121.223 -0.084 0.000 2.628 294 L HA 0.197 4.537 4.340 0.000 0.000 0.229 294 L C 0.661 177.419 176.870 -0.186 0.000 1.137 294 L CA 0.023 54.793 54.840 -0.116 0.000 0.909 294 L CB 0.004 41.962 42.059 -0.168 0.000 1.137 294 L HN -0.112 nan 8.230 nan 0.000 0.470 295 I N -0.617 119.821 120.570 -0.222 0.000 2.339 295 I HA 0.221 4.391 4.170 0.000 0.000 0.290 295 I C -0.688 175.278 176.117 -0.252 0.000 0.994 295 I CA -0.589 60.444 61.300 -0.445 0.000 1.191 295 I CB 1.199 38.605 38.000 -0.991 0.000 1.343 295 I HN -0.002 nan 8.210 nan 0.000 0.458 296 H N 5.917 124.718 119.070 -0.448 0.000 2.727 296 H HA 0.255 4.811 4.556 0.000 0.000 0.330 296 H C -0.583 174.582 175.328 -0.272 0.000 0.986 296 H CA -0.546 55.322 56.048 -0.300 0.000 1.251 296 H CB 0.798 30.250 29.762 -0.517 0.000 1.493 296 H HN 0.553 nan 8.280 nan 0.000 0.515 297 D N 4.224 124.384 120.400 -0.400 0.000 2.737 297 D HA -0.192 4.448 4.640 0.000 0.000 0.233 297 D C 1.284 177.486 176.300 -0.163 0.000 1.155 297 D CA 2.128 55.975 54.000 -0.255 0.000 0.667 297 D CB -1.290 39.210 40.800 -0.500 0.000 1.060 297 D HN 1.105 nan 8.370 nan 0.000 0.427 298 G N -1.880 106.735 108.800 -0.308 0.000 2.254 298 G HA2 -0.246 3.714 3.960 0.000 0.000 0.225 298 G HA3 -0.246 3.714 3.960 0.000 0.000 0.225 298 G C 0.268 174.879 174.900 -0.481 0.000 1.003 298 G CA 0.234 45.155 45.100 -0.299 0.000 0.622 298 G HN 0.747 nan 8.290 nan 0.000 0.507 299 L N -0.139 120.647 121.223 -0.728 0.000 2.379 299 L HA 0.939 5.279 4.340 0.000 0.000 0.269 299 L C 0.453 177.043 176.870 -0.466 0.000 1.084 299 L CA -1.352 53.059 54.840 -0.715 0.000 0.802 299 L CB 1.764 43.293 42.059 -0.883 0.000 1.175 299 L HN 0.390 nan 8.230 nan 0.000 0.448 300 V N 3.981 123.721 119.914 -0.290 0.000 2.513 300 V HA 0.450 4.570 4.120 0.000 0.000 0.299 300 V C 0.337 176.366 176.094 -0.108 0.000 1.035 300 V CA -0.755 61.405 62.300 -0.233 0.000 0.889 300 V CB 1.671 33.377 31.823 -0.195 0.000 0.988 300 V HN 0.900 nan 8.190 nan 0.000 0.440 301 M N 5.132 124.677 119.600 -0.091 0.000 2.284 301 M HA 0.063 4.543 4.480 0.000 0.000 0.351 301 M C 0.993 177.322 176.300 0.049 0.000 1.443 301 M CA 0.124 55.448 55.300 0.039 0.000 1.031 301 M CB 0.138 32.785 32.600 0.078 0.000 1.893 301 M HN 0.662 nan 8.290 nan 0.000 0.456 302 D N 1.485 121.952 120.400 0.112 0.000 2.280 302 D HA -0.144 4.496 4.640 0.000 0.000 0.206 302 D C 1.865 178.154 176.300 -0.019 0.000 0.988 302 D CA 1.925 55.968 54.000 0.071 0.000 0.886 302 D CB -0.197 40.734 40.800 0.217 0.000 0.914 302 D HN 0.764 nan 8.370 nan 0.000 0.473 303 T N -1.536 113.016 114.554 -0.004 0.000 3.025 303 T HA -0.100 4.250 4.350 0.000 0.000 0.270 303 T C 1.651 176.305 174.700 -0.077 0.000 1.126 303 T CA 1.095 63.180 62.100 -0.026 0.000 1.105 303 T CB -0.266 68.604 68.868 0.004 0.000 0.884 303 T HN 0.153 nan 8.240 nan 0.000 0.522 304 V N -2.699 117.161 119.914 -0.089 0.000 3.159 304 V HA 0.518 4.638 4.120 0.000 0.000 0.333 304 V C 0.687 176.717 176.094 -0.106 0.000 1.424 304 V CA -0.685 61.547 62.300 -0.114 0.000 1.125 304 V CB -0.284 31.474 31.823 -0.107 0.000 1.075 304 V HN 0.132 nan 8.190 nan 0.000 0.482 305 N N 1.667 120.282 118.700 -0.141 0.000 2.205 305 N HA 0.360 5.100 4.740 0.000 0.000 0.201 305 N C 1.325 176.742 175.510 -0.155 0.000 1.128 305 N CA 0.976 53.943 53.050 -0.137 0.000 0.867 305 N CB 1.315 39.693 38.487 -0.181 0.000 0.996 305 N HN 0.764 nan 8.380 nan 0.000 0.503 306 G N 2.552 111.119 108.800 -0.388 0.000 2.574 306 G HA2 -0.412 3.548 3.960 0.000 0.000 0.282 306 G HA3 -0.412 3.548 3.960 0.000 0.000 0.282 306 G C 0.874 175.668 174.900 -0.176 0.000 1.257 306 G CA 0.632 45.413 45.100 -0.532 0.000 0.956 306 G HN 0.489 nan 8.290 nan 0.000 0.560 307 R N 0.338 120.825 120.500 -0.022 0.000 2.241 307 R HA 0.292 4.632 4.340 0.000 0.000 0.224 307 R C 2.560 178.856 176.300 -0.007 0.000 1.101 307 R CA 2.019 58.107 56.100 -0.019 0.000 0.995 307 R CB -0.464 29.838 30.300 0.003 0.000 0.870 307 R HN 1.195 nan 8.270 nan 0.000 0.463 308 A N 2.616 125.453 122.820 0.028 0.000 2.216 308 A HA -0.023 4.297 4.320 0.000 0.000 0.214 308 A C 2.161 179.764 177.584 0.032 0.000 1.160 308 A CA 0.944 52.992 52.037 0.018 0.000 0.725 308 A CB -0.681 18.284 19.000 -0.059 0.000 0.784 308 A HN 0.627 nan 8.150 nan 0.000 0.472 309 I N -1.930 118.597 120.570 -0.071 0.000 2.700 309 I HA -0.116 4.054 4.170 0.000 0.000 0.261 309 I C 1.686 177.837 176.117 0.058 0.000 1.219 309 I CA 1.640 62.863 61.300 -0.128 0.000 1.463 309 I CB -0.343 37.275 38.000 -0.636 0.000 1.092 309 I HN 0.293 nan 8.210 nan 0.000 0.452 310 S N 0.154 115.910 115.700 0.093 0.000 2.577 310 S HA 0.254 4.724 4.470 0.000 0.000 0.219 310 S C 1.677 176.434 174.600 0.262 0.000 0.962 310 S CA -0.572 57.800 58.200 0.285 0.000 0.921 310 S CB -0.023 63.253 63.200 0.127 0.000 0.789 310 S HN 0.505 nan 8.310 nan 0.000 0.497 311 R N 1.232 121.714 120.500 -0.030 0.000 2.057 311 R HA 0.323 4.663 4.340 0.000 0.000 0.224 311 R C 2.061 177.897 176.300 -0.773 0.000 1.136 311 R CA 0.741 56.684 56.100 -0.262 0.000 0.968 311 R CB -1.047 29.107 30.300 -0.245 0.000 0.863 311 R HN 0.494 nan 8.270 nan 0.000 0.433 312 G N 0.859 108.719 108.800 -1.567 0.000 2.660 312 G HA2 -0.361 3.599 3.960 0.000 0.000 0.321 312 G HA3 -0.361 3.599 3.960 0.000 0.000 0.321 312 G C -0.597 173.386 174.900 -1.529 0.000 1.246 312 G CA 0.554 44.027 45.100 -2.711 0.000 1.000 312 G HN 0.332 nan 8.290 nan 0.000 0.550 313 Y N 1.342 120.951 120.300 -1.152 0.000 2.486 313 Y HA 0.558 5.108 4.550 0.000 0.000 0.348 313 Y C 1.120 176.837 175.900 -0.306 0.000 1.000 313 Y CA -0.387 57.392 58.100 -0.535 0.000 1.253 313 Y CB 0.542 38.847 38.460 -0.258 0.000 1.140 313 Y HN 0.435 nan 8.280 nan 0.000 0.526 314 L N 4.558 125.716 121.223 -0.108 0.000 2.349 314 L HA 0.212 4.552 4.340 0.000 0.000 0.275 314 L C 1.423 178.317 176.870 0.040 0.000 1.115 314 L CA -0.385 54.424 54.840 -0.052 0.000 0.820 314 L CB 1.003 43.005 42.059 -0.095 0.000 1.135 314 L HN 0.646 nan 8.230 nan 0.000 0.445 315 K N 0.935 121.365 120.400 0.051 0.000 2.103 315 K HA -0.148 4.172 4.320 0.000 0.000 0.207 315 K C 1.842 178.471 176.600 0.049 0.000 1.048 315 K CA 1.733 58.056 56.287 0.061 0.000 0.930 315 K CB -0.044 32.489 32.500 0.054 0.000 0.716 315 K HN 0.774 nan 8.250 nan 0.000 0.444 316 S N 0.688 116.409 115.700 0.035 0.000 2.607 316 S HA -0.080 4.391 4.470 0.000 0.000 0.224 316 S C 0.241 174.867 174.600 0.043 0.000 0.969 316 S CA 0.180 58.403 58.200 0.039 0.000 0.927 316 S CB -0.076 63.144 63.200 0.033 0.000 0.772 316 S HN 0.112 nan 8.310 nan 0.000 0.533 317 D N 1.643 122.068 120.400 0.042 0.000 2.428 317 D HA 0.221 4.861 4.640 0.000 0.000 0.221 317 D C 0.367 176.710 176.300 0.072 0.000 1.123 317 D CA -0.487 53.539 54.000 0.043 0.000 0.869 317 D CB 0.716 41.521 40.800 0.009 0.000 1.032 317 D HN 0.026 nan 8.370 nan 0.000 0.506 318 D N 3.184 123.621 120.400 0.061 0.000 2.219 318 D HA -0.112 4.528 4.640 0.000 0.000 0.205 318 D C 1.774 178.114 176.300 0.067 0.000 0.970 318 D CA 0.602 54.636 54.000 0.056 0.000 0.851 318 D CB 0.494 41.322 40.800 0.047 0.000 0.943 318 D HN 0.503 nan 8.370 nan 0.000 0.488 319 L N -0.027 121.241 121.223 0.074 0.000 2.551 319 L HA -0.064 4.276 4.340 0.000 0.000 0.228 319 L C 0.288 177.250 176.870 0.153 0.000 1.153 319 L CA 0.158 55.050 54.840 0.086 0.000 0.851 319 L CB -0.648 41.450 42.059 0.065 0.000 0.959 319 L HN 0.142 nan 8.230 nan 0.000 0.451 320 H N -0.445 118.644 119.070 0.031 0.000 2.592 320 H HA -0.144 4.412 4.556 0.000 0.000 0.323 320 H C -1.048 174.400 175.328 0.201 0.000 1.117 320 H CA -0.066 56.023 56.048 0.068 0.000 1.120 320 H CB -1.405 28.331 29.762 -0.042 0.000 1.561 320 H HN -0.034 nan 8.280 nan 0.000 0.409 321 V N 3.523 123.457 119.914 0.033 0.000 2.370 321 V HA 0.190 4.310 4.120 0.000 0.000 0.283 321 V C 0.958 176.817 176.094 -0.393 0.000 1.023 321 V CA -0.463 61.791 62.300 -0.076 0.000 0.857 321 V CB 1.549 33.351 31.823 -0.035 0.000 0.985 321 V HN 0.546 nan 8.190 nan 0.000 0.443 322 M N 4.785 124.033 119.600 -0.587 0.000 2.217 322 M HA 0.362 4.842 4.480 0.000 0.000 0.352 322 M C 0.251 175.985 176.300 -0.942 0.000 1.376 322 M CA -0.313 54.327 55.300 -1.101 0.000 1.107 322 M CB 0.274 32.136 32.600 -1.230 0.000 1.723 322 M HN 0.580 nan 8.290 nan 0.000 0.461 323 R N 2.596 122.421 120.500 -1.125 0.000 2.641 323 R HA 0.499 4.839 4.340 0.000 0.000 0.269 323 R C -0.471 175.441 176.300 -0.646 0.000 1.074 323 R CA 0.014 55.467 56.100 -1.079 0.000 1.133 323 R CB 0.723 30.459 30.300 -0.940 0.000 1.029 323 R HN 0.857 nan 8.270 nan 0.000 0.488 324 S N -1.009 114.481 115.700 -0.349 0.000 2.688 324 S HA 0.080 4.550 4.470 0.000 0.000 0.266 324 S C -0.132 174.562 174.600 0.157 0.000 1.061 324 S CA -0.396 57.814 58.200 0.016 0.000 0.844 324 S CB 0.454 63.689 63.200 0.059 0.000 1.103 324 S HN 0.528 nan 8.310 nan 0.000 0.471 325 D N 0.480 121.057 120.400 0.295 0.000 2.149 325 D HA -0.193 4.447 4.640 0.000 0.000 0.198 325 D C 1.415 177.749 176.300 0.056 0.000 0.990 325 D CA 1.856 55.995 54.000 0.232 0.000 0.839 325 D CB -0.954 39.986 40.800 0.233 0.000 0.948 325 D HN 0.679 nan 8.370 nan 0.000 0.460 326 H N -0.754 118.354 119.070 0.064 0.000 2.326 326 H HA -0.069 4.487 4.556 0.000 0.000 0.301 326 H C 1.988 177.274 175.328 -0.070 0.000 1.081 326 H CA 1.325 57.359 56.048 -0.023 0.000 1.334 326 H CB -0.567 29.184 29.762 -0.019 0.000 1.385 326 H HN 0.218 nan 8.280 nan 0.000 0.504 327 F N 1.876 121.755 119.950 -0.117 0.000 2.091 327 F HA -0.281 4.246 4.527 0.000 0.000 0.299 327 F C 2.637 178.277 175.800 -0.266 0.000 1.103 327 F CA 1.654 59.489 58.000 -0.274 0.000 1.228 327 F CB -0.302 38.441 39.000 -0.428 0.000 0.984 327 F HN 0.177 nan 8.300 nan 0.000 0.477 328 H N -0.345 118.771 119.070 0.076 0.000 2.423 328 H HA 0.009 4.565 4.556 0.000 0.000 0.297 328 H C 2.507 177.725 175.328 -0.185 0.000 1.075 328 H CA 1.085 57.103 56.048 -0.050 0.000 1.342 328 H CB -1.124 28.660 29.762 0.036 0.000 1.395 328 H HN 0.467 nan 8.280 nan 0.000 0.530 329 G N 0.538 109.287 108.800 -0.085 0.000 2.418 329 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 329 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 329 G C 1.674 176.439 174.900 -0.225 0.000 1.158 329 G CA 0.438 45.406 45.100 -0.219 0.000 0.771 329 G HN 0.389 nan 8.290 nan 0.000 0.545 330 Q N -0.343 119.335 119.800 -0.204 0.000 2.061 330 Q HA -0.143 4.197 4.340 0.000 0.000 0.204 330 Q C 2.866 178.843 176.000 -0.038 0.000 0.984 330 Q CA 1.387 57.118 55.803 -0.119 0.000 0.846 330 Q CB -0.120 28.409 28.738 -0.348 0.000 0.902 330 Q HN 0.416 nan 8.270 nan 0.000 0.421 331 Q N 0.120 119.782 119.800 -0.231 0.000 2.170 331 Q HA -0.150 4.190 4.340 0.000 0.000 0.203 331 Q C 2.119 178.041 176.000 -0.130 0.000 0.976 331 Q CA 0.887 56.602 55.803 -0.147 0.000 0.858 331 Q CB -0.272 28.316 28.738 -0.250 0.000 0.907 331 Q HN 0.291 nan 8.270 nan 0.000 0.433 332 L N 0.293 121.408 121.223 -0.181 0.000 2.095 332 L HA -0.008 4.332 4.340 0.000 0.000 0.204 332 L C 2.074 178.807 176.870 -0.229 0.000 1.080 332 L CA 1.106 55.799 54.840 -0.245 0.000 0.759 332 L CB -0.434 41.452 42.059 -0.287 0.000 0.914 332 L HN 0.045 nan 8.230 nan 0.000 0.439 333 I N -0.002 120.453 120.570 -0.192 0.000 2.163 333 I HA -0.340 3.831 4.170 0.000 0.000 0.243 333 I C 2.647 178.722 176.117 -0.070 0.000 1.085 333 I CA 1.404 62.642 61.300 -0.104 0.000 1.347 333 I CB -0.723 37.247 38.000 -0.050 0.000 1.044 333 I HN 0.361 nan 8.210 nan 0.000 0.408 334 A N 0.680 123.447 122.820 -0.089 0.000 1.917 334 A HA -0.265 4.055 4.320 0.000 0.000 0.219 334 A C 2.513 180.010 177.584 -0.145 0.000 1.182 334 A CA 2.257 54.179 52.037 -0.192 0.000 0.633 334 A CB -1.005 17.837 19.000 -0.264 0.000 0.819 334 A HN 0.473 nan 8.150 nan 0.000 0.448 335 A N -1.009 121.726 122.820 -0.141 0.000 1.969 335 A HA -0.053 4.267 4.320 0.000 0.000 0.218 335 A C 2.232 179.739 177.584 -0.128 0.000 1.169 335 A CA 1.688 53.635 52.037 -0.149 0.000 0.635 335 A CB -0.496 18.380 19.000 -0.205 0.000 0.810 335 A HN 0.549 nan 8.150 nan 0.000 0.445 336 M N -0.573 118.952 119.600 -0.126 0.000 2.117 336 M HA -0.131 4.349 4.480 0.000 0.000 0.262 336 M C 2.471 178.829 176.300 0.095 0.000 1.065 336 M CA 1.411 56.664 55.300 -0.079 0.000 1.114 336 M CB -0.349 32.208 32.600 -0.072 0.000 1.361 336 M HN 0.460 nan 8.290 nan 0.000 0.408 337 A N -0.341 122.523 122.820 0.073 0.000 2.019 337 A HA -0.068 4.252 4.320 0.000 0.000 0.219 337 A C 2.176 179.818 177.584 0.096 0.000 1.164 337 A CA 1.293 53.393 52.037 0.106 0.000 0.644 337 A CB -0.787 18.204 19.000 -0.015 0.000 0.805 337 A HN 0.316 nan 8.150 nan 0.000 0.449 338 V N -0.569 119.365 119.914 0.034 0.000 2.283 338 V HA -0.180 3.940 4.120 0.000 0.000 0.243 338 V C 2.395 178.550 176.094 0.102 0.000 1.039 338 V CA 1.753 64.073 62.300 0.033 0.000 1.016 338 V CB -0.728 31.079 31.823 -0.027 0.000 0.650 338 V HN 0.577 nan 8.190 nan 0.000 0.449 339 L N 0.985 122.278 121.223 0.116 0.000 2.265 339 L HA -0.017 4.323 4.340 0.000 0.000 0.215 339 L C 2.330 179.425 176.870 0.374 0.000 1.117 339 L CA 1.973 56.930 54.840 0.194 0.000 0.782 339 L CB -0.766 41.363 42.059 0.117 0.000 0.914 339 L HN 0.228 nan 8.230 nan 0.000 0.441 340 A N -0.605 122.467 122.820 0.420 0.000 2.070 340 A HA -0.027 4.293 4.320 0.000 0.000 0.220 340 A C 2.209 179.853 177.584 0.101 0.000 1.159 340 A CA 1.150 53.379 52.037 0.320 0.000 0.656 340 A CB -1.295 17.946 19.000 0.402 0.000 0.800 340 A HN 0.499 nan 8.150 nan 0.000 0.453 341 G N -1.140 107.744 108.800 0.140 0.000 2.776 341 G HA2 0.232 4.192 3.960 0.000 0.000 0.209 341 G HA3 0.232 4.192 3.960 0.000 0.000 0.209 341 G C 0.987 175.946 174.900 0.098 0.000 1.145 341 G CA 0.917 46.073 45.100 0.094 0.000 0.791 341 G HN 0.724 nan 8.290 nan 0.000 0.530 342 G N -0.887 108.001 108.800 0.147 0.000 3.377 342 G HA2 0.560 4.520 3.960 0.000 0.000 0.257 342 G HA3 0.560 4.520 3.960 0.000 0.000 0.257 342 G C 0.412 175.393 174.900 0.136 0.000 1.038 342 G CA 0.738 45.955 45.100 0.196 0.000 0.809 342 G HN 0.593 nan 8.290 nan 0.000 0.526 343 A N 0.433 123.259 122.820 0.011 0.000 2.284 343 A HA 0.803 5.123 4.320 0.000 0.000 0.317 343 A C 0.788 178.263 177.584 -0.181 0.000 1.120 343 A CA 0.126 52.090 52.037 -0.121 0.000 0.900 343 A CB 0.665 19.386 19.000 -0.464 0.000 1.319 343 A HN 0.788 nan 8.150 nan 0.000 0.494 344 S N 0.128 115.702 115.700 -0.210 0.000 2.584 344 S HA 0.034 4.504 4.470 0.000 0.000 0.270 344 S C 0.668 175.124 174.600 -0.240 0.000 1.346 344 S CA 0.017 58.105 58.200 -0.186 0.000 1.018 344 S CB 0.196 63.303 63.200 -0.154 0.000 0.899 344 S HN 0.607 nan 8.310 nan 0.000 0.542 345 N N 1.829 120.419 118.700 -0.183 0.000 2.094 345 N HA -0.143 4.597 4.740 0.000 0.000 0.191 345 N C 1.974 177.346 175.510 -0.231 0.000 1.023 345 N CA 1.790 54.723 53.050 -0.194 0.000 0.857 345 N CB -1.351 37.058 38.487 -0.131 0.000 1.013 345 N HN 0.831 nan 8.380 nan 0.000 0.426 346 A N 1.222 123.923 122.820 -0.199 0.000 1.898 346 A HA -0.139 4.181 4.320 0.000 0.000 0.216 346 A C 2.156 179.577 177.584 -0.272 0.000 1.181 346 A CA 1.387 53.314 52.037 -0.183 0.000 0.620 346 A CB -0.502 18.424 19.000 -0.124 0.000 0.819 346 A HN 0.340 nan 8.150 nan 0.000 0.442 347 E N -0.731 119.237 120.200 -0.385 0.000 2.038 347 E HA -0.226 4.124 4.350 0.000 0.000 0.195 347 E C 2.307 178.303 176.600 -1.008 0.000 1.000 347 E CA 1.345 57.314 56.400 -0.718 0.000 0.803 347 E CB -0.205 29.002 29.700 -0.822 0.000 0.750 347 E HN 0.604 nan 8.360 nan 0.000 0.448 348 R N 1.206 121.233 120.500 -0.788 0.000 2.096 348 R HA -0.259 4.081 4.340 0.000 0.000 0.240 348 R C 2.329 178.271 176.300 -0.597 0.000 1.139 348 R CA 2.097 57.757 56.100 -0.734 0.000 0.952 348 R CB -0.170 29.778 30.300 -0.587 0.000 0.854 348 R HN 0.196 nan 8.270 nan 0.000 0.436 349 E N 0.101 120.067 120.200 -0.390 0.000 2.110 349 E HA -0.224 4.126 4.350 0.000 0.000 0.193 349 E C 2.030 178.564 176.600 -0.109 0.000 0.988 349 E CA 1.192 57.465 56.400 -0.212 0.000 0.804 349 E CB 0.014 29.627 29.700 -0.145 0.000 0.745 349 E HN 0.376 nan 8.360 nan 0.000 0.458 350 R N -0.359 120.066 120.500 -0.125 0.000 2.073 350 R HA -0.129 4.211 4.340 0.000 0.000 0.234 350 R C 2.185 178.593 176.300 0.179 0.000 1.134 350 R CA 1.708 57.819 56.100 0.019 0.000 0.952 350 R CB -0.383 29.959 30.300 0.070 0.000 0.850 350 R HN 0.360 nan 8.270 nan 0.000 0.433 351 W N 0.624 121.914 121.300 -0.017 0.000 2.358 351 W HA -0.078 4.582 4.660 0.000 0.000 0.303 351 W C 2.046 178.623 176.519 0.098 0.000 1.208 351 W CA 0.630 58.000 57.345 0.042 0.000 1.274 351 W CB -1.391 28.121 29.460 0.085 0.000 1.138 351 W HN 0.332 nan 8.180 nan 0.000 0.515 352 H N -0.403 118.761 119.070 0.157 0.000 2.353 352 H HA -0.077 4.479 4.556 0.000 0.000 0.300 352 H C 2.271 177.593 175.328 -0.009 0.000 1.090 352 H CA 1.228 57.313 56.048 0.062 0.000 1.327 352 H CB -0.214 29.564 29.762 0.026 0.000 1.383 352 H HN 0.066 nan 8.280 nan 0.000 0.508 353 A N 1.496 124.379 122.820 0.104 0.000 1.933 353 A HA -0.167 4.153 4.320 0.000 0.000 0.218 353 A C 2.310 179.808 177.584 -0.143 0.000 1.175 353 A CA 1.079 53.107 52.037 -0.016 0.000 0.628 353 A CB -0.165 18.820 19.000 -0.025 0.000 0.814 353 A HN 0.273 nan 8.150 nan 0.000 0.444 354 R N -0.216 120.164 120.500 -0.201 0.000 2.066 354 R HA 0.005 4.345 4.340 0.000 0.000 0.232 354 R C 2.023 177.863 176.300 -0.767 0.000 1.131 354 R CA 1.397 57.128 56.100 -0.616 0.000 0.955 354 R CB -0.887 28.957 30.300 -0.760 0.000 0.851 354 R HN 0.614 nan 8.270 nan 0.000 0.432 355 I N 1.172 121.581 120.570 -0.269 0.000 2.226 355 I HA -0.256 3.914 4.170 0.000 0.000 0.245 355 I C 2.683 178.792 176.117 -0.015 0.000 1.100 355 I CA 1.207 62.537 61.300 0.050 0.000 1.374 355 I CB -0.316 37.775 38.000 0.152 0.000 1.057 355 I HN 0.147 nan 8.210 nan 0.000 0.413 356 K N 1.157 121.513 120.400 -0.073 0.000 2.113 356 K HA -0.185 4.135 4.320 0.000 0.000 0.208 356 K C 2.095 178.642 176.600 -0.089 0.000 1.047 356 K CA 1.688 57.935 56.287 -0.067 0.000 0.928 356 K CB -0.367 32.098 32.500 -0.057 0.000 0.716 356 K HN 0.405 nan 8.250 nan 0.000 0.446 357 G N 0.397 109.080 108.800 -0.194 0.000 2.418 357 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 357 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 357 G C 1.023 175.854 174.900 -0.115 0.000 1.158 357 G CA 0.598 45.572 45.100 -0.211 0.000 0.771 357 G HN 0.315 nan 8.290 nan 0.000 0.545 358 W N 0.735 122.009 121.300 -0.043 0.000 2.358 358 W HA 0.113 4.773 4.660 0.000 0.000 0.303 358 W C 2.496 178.984 176.519 -0.051 0.000 1.208 358 W CA 0.098 57.407 57.345 -0.060 0.000 1.274 358 W CB -0.973 28.450 29.460 -0.062 0.000 1.138 358 W HN 0.181 nan 8.180 nan 0.000 0.515 359 I N 0.251 120.913 120.570 0.154 0.000 2.286 359 I HA -0.273 3.897 4.170 0.000 0.000 0.248 359 I C 2.178 178.315 176.117 0.034 0.000 1.115 359 I CA 1.459 62.801 61.300 0.070 0.000 1.392 359 I CB -0.446 37.559 38.000 0.008 0.000 1.065 359 I HN -0.023 nan 8.210 nan 0.000 0.418 360 E N 0.318 120.529 120.200 0.018 0.000 2.150 360 E HA -0.159 4.191 4.350 0.000 0.000 0.193 360 E C 2.204 178.814 176.600 0.016 0.000 0.985 360 E CA 0.790 57.193 56.400 0.005 0.000 0.814 360 E CB 0.089 29.783 29.700 -0.011 0.000 0.752 360 E HN 0.427 nan 8.360 nan 0.000 0.466 361 R N 0.421 120.942 120.500 0.034 0.000 2.223 361 R HA 0.007 4.347 4.340 0.000 0.000 0.198 361 R C 0.418 176.734 176.300 0.028 0.000 0.984 361 R CA 0.098 56.213 56.100 0.025 0.000 1.018 361 R CB 0.315 30.626 30.300 0.017 0.000 0.945 361 R HN -0.032 nan 8.270 nan 0.000 0.479 362 D N 1.458 121.888 120.400 0.050 0.000 2.416 362 D HA -0.027 4.613 4.640 0.000 0.000 0.240 362 D C 0.634 176.932 176.300 -0.003 0.000 1.250 362 D CA 0.261 54.292 54.000 0.052 0.000 0.967 362 D CB 0.953 41.810 40.800 0.096 0.000 1.059 362 D HN 0.164 nan 8.370 nan 0.000 0.512 363 T N -0.614 113.927 114.554 -0.021 0.000 3.129 363 T HA 0.032 4.382 4.350 0.000 0.000 0.251 363 T C 1.702 176.347 174.700 -0.092 0.000 1.117 363 T CA 0.013 62.090 62.100 -0.039 0.000 1.034 363 T CB 0.298 69.157 68.868 -0.015 0.000 0.968 363 T HN 0.112 nan 8.240 nan 0.000 0.526 364 V N 2.076 121.868 119.914 -0.204 0.000 2.374 364 V HA 0.130 4.250 4.120 0.000 0.000 0.241 364 V C 1.600 177.545 176.094 -0.249 0.000 1.034 364 V CA 1.450 63.561 62.300 -0.314 0.000 1.037 364 V CB -0.451 30.933 31.823 -0.733 0.000 0.682 364 V HN 0.796 nan 8.190 nan 0.000 0.463 365 T N -1.414 112.984 114.554 -0.260 0.000 3.141 365 T HA 0.430 4.780 4.350 0.000 0.000 0.377 365 T C -2.922 171.732 174.700 -0.076 0.000 1.258 365 T CA -2.005 60.015 62.100 -0.133 0.000 1.263 365 T CB 1.083 69.889 68.868 -0.102 0.000 1.066 365 T HN 0.044 nan 8.240 nan 0.000 0.546 366 P HA -0.020 nan 4.420 nan 0.000 0.255 366 P C 1.383 178.670 177.300 -0.021 0.000 1.161 366 P CA 0.058 63.140 63.100 -0.029 0.000 0.768 366 P CB 0.500 32.187 31.700 -0.022 0.000 0.746 367 V N 4.945 124.863 119.914 0.007 0.000 2.332 367 V HA -0.253 3.867 4.120 0.000 0.000 0.248 367 V C 2.204 178.354 176.094 0.093 0.000 1.055 367 V CA 1.825 64.162 62.300 0.063 0.000 1.038 367 V CB -0.922 30.956 31.823 0.092 0.000 0.651 367 V HN 0.563 nan 8.190 nan 0.000 0.450 368 L N 0.624 121.840 121.223 -0.012 0.000 2.362 368 L HA -0.076 4.264 4.340 0.000 0.000 0.219 368 L C 1.884 178.797 176.870 0.072 0.000 1.134 368 L CA 1.698 56.483 54.840 -0.091 0.000 0.807 368 L CB -0.646 41.235 42.059 -0.297 0.000 0.927 368 L HN 0.605 nan 8.230 nan 0.000 0.447 369 T N -3.766 110.812 114.554 0.040 0.000 3.252 369 T HA 0.470 4.820 4.350 0.000 0.000 0.286 369 T C 0.470 175.157 174.700 -0.021 0.000 1.013 369 T CA -0.223 61.890 62.100 0.021 0.000 0.914 369 T CB 0.243 69.116 68.868 0.007 0.000 1.131 369 T HN 0.106 nan 8.240 nan 0.000 0.529 370 A N 3.189 125.975 122.820 -0.057 0.000 2.524 370 A HA 0.492 4.812 4.320 0.000 0.000 0.250 370 A C -0.907 176.556 177.584 -0.202 0.000 1.078 370 A CA -1.142 50.747 52.037 -0.248 0.000 0.761 370 A CB 0.300 18.867 19.000 -0.721 0.000 1.012 370 A HN 0.260 nan 8.150 nan 0.000 0.500 371 P HA -0.155 nan 4.420 nan 0.000 0.223 371 P C 1.251 178.525 177.300 -0.043 0.000 1.151 371 P CA 1.054 64.122 63.100 -0.054 0.000 0.787 371 P CB 0.167 31.858 31.700 -0.015 0.000 0.788 372 Q N -1.108 118.625 119.800 -0.111 0.000 2.389 372 Q HA -0.025 4.315 4.340 0.000 0.000 0.204 372 Q C 0.191 176.206 176.000 0.025 0.000 0.944 372 Q CA 0.374 56.158 55.803 -0.031 0.000 0.908 372 Q CB -0.658 28.094 28.738 0.023 0.000 1.002 372 Q HN 0.109 nan 8.270 nan 0.000 0.493 373 F N 4.771 124.691 119.950 -0.050 0.000 2.543 373 F HA 0.263 4.791 4.527 0.000 0.000 0.375 373 F C -1.672 174.099 175.800 -0.049 0.000 1.075 373 F CA -2.764 55.196 58.000 -0.066 0.000 1.225 373 F CB -0.002 38.949 39.000 -0.083 0.000 1.099 373 F HN 0.080 nan 8.300 nan 0.000 0.561 374 P HA 0.059 nan 4.420 nan 0.000 0.274 374 P C 0.942 178.249 177.300 0.013 0.000 1.256 374 P CA -0.180 62.962 63.100 0.071 0.000 0.795 374 P CB 1.088 32.833 31.700 0.075 0.000 1.038 375 V N -1.567 118.331 119.914 -0.027 0.000 2.490 375 V HA -0.197 3.923 4.120 0.000 0.000 0.250 375 V C 2.270 178.300 176.094 -0.107 0.000 1.061 375 V CA 2.145 64.388 62.300 -0.094 0.000 1.064 375 V CB -2.160 29.499 31.823 -0.272 0.000 0.670 375 V HN 0.540 nan 8.190 nan 0.000 0.461 376 A N 0.682 123.456 122.820 -0.077 0.000 1.883 376 A HA -0.236 4.084 4.320 0.000 0.000 0.217 376 A C 2.036 179.555 177.584 -0.109 0.000 1.186 376 A CA 2.119 54.114 52.037 -0.070 0.000 0.624 376 A CB -0.879 18.082 19.000 -0.065 0.000 0.822 376 A HN 0.616 nan 8.150 nan 0.000 0.444 377 D N -0.012 120.284 120.400 -0.173 0.000 2.117 377 D HA -0.102 4.538 4.640 0.000 0.000 0.198 377 D C 2.004 178.088 176.300 -0.361 0.000 0.982 377 D CA 1.100 54.884 54.000 -0.359 0.000 0.828 377 D CB -0.322 40.109 40.800 -0.615 0.000 0.967 377 D HN 0.443 nan 8.370 nan 0.000 0.464 378 L N 0.862 121.963 121.223 -0.202 0.000 2.079 378 L HA -0.190 4.150 4.340 0.000 0.000 0.210 378 L C 2.579 179.530 176.870 0.136 0.000 1.081 378 L CA 1.157 55.971 54.840 -0.045 0.000 0.752 378 L CB -0.657 41.328 42.059 -0.124 0.000 0.896 378 L HN 0.033 nan 8.230 nan 0.000 0.433 379 T N -0.892 113.735 114.554 0.121 0.000 2.737 379 T HA -0.164 4.186 4.350 0.000 0.000 0.265 379 T C 2.021 176.779 174.700 0.098 0.000 1.038 379 T CA 1.154 63.354 62.100 0.167 0.000 1.144 379 T CB -0.160 68.760 68.868 0.085 0.000 0.866 379 T HN 0.285 nan 8.240 nan 0.000 0.434 380 R N 0.411 120.910 120.500 -0.002 0.000 2.120 380 R HA 0.066 4.406 4.340 0.000 0.000 0.234 380 R C 2.370 178.622 176.300 -0.080 0.000 1.123 380 R CA 0.945 57.020 56.100 -0.041 0.000 0.975 380 R CB -0.414 29.842 30.300 -0.072 0.000 0.866 380 R HN 0.370 nan 8.270 nan 0.000 0.446 381 L N -1.403 119.759 121.223 -0.101 0.000 2.127 381 L HA -0.065 4.275 4.340 0.000 0.000 0.203 381 L C 2.059 178.852 176.870 -0.128 0.000 1.080 381 L CA 1.116 55.870 54.840 -0.144 0.000 0.768 381 L CB -0.421 41.517 42.059 -0.201 0.000 0.924 381 L HN 0.157 nan 8.230 nan 0.000 0.444 382 H N -0.049 119.002 119.070 -0.033 0.000 2.352 382 H HA -0.156 4.400 4.556 0.000 0.000 0.299 382 H C 2.286 177.618 175.328 0.006 0.000 1.097 382 H CA 1.623 57.680 56.048 0.015 0.000 1.311 382 H CB -0.128 29.692 29.762 0.097 0.000 1.377 382 H HN 0.350 nan 8.280 nan 0.000 0.504 383 A N 0.443 123.328 122.820 0.108 0.000 1.933 383 A HA -0.151 4.169 4.320 0.000 0.000 0.218 383 A C 2.364 179.927 177.584 -0.035 0.000 1.175 383 A CA 1.603 53.667 52.037 0.045 0.000 0.628 383 A CB -0.693 18.329 19.000 0.036 0.000 0.814 383 A HN 0.378 nan 8.150 nan 0.000 0.444 384 I N -0.386 120.104 120.570 -0.134 0.000 2.252 384 I HA -0.252 3.918 4.170 0.000 0.000 0.245 384 I C 2.910 178.959 176.117 -0.114 0.000 1.102 384 I CA 1.112 62.269 61.300 -0.238 0.000 1.385 384 I CB -0.236 37.537 38.000 -0.378 0.000 1.064 384 I HN 0.340 nan 8.210 nan 0.000 0.414 385 A N 0.015 122.781 122.820 -0.091 0.000 1.969 385 A HA -0.182 4.138 4.320 0.000 0.000 0.218 385 A C 1.824 179.398 177.584 -0.018 0.000 1.169 385 A CA 1.695 53.694 52.037 -0.064 0.000 0.635 385 A CB -0.402 18.533 19.000 -0.108 0.000 0.810 385 A HN 0.328 nan 8.150 nan 0.000 0.445 386 D N 0.103 120.511 120.400 0.013 0.000 2.323 386 D HA 0.233 4.873 4.640 0.000 0.000 0.209 386 D C 1.050 177.366 176.300 0.027 0.000 0.973 386 D CA 0.845 54.868 54.000 0.038 0.000 0.874 386 D CB -0.270 40.575 40.800 0.074 0.000 0.930 386 D HN 0.436 nan 8.370 nan 0.000 0.521 387 A N 2.067 124.898 122.820 0.018 0.000 2.406 387 A HA 0.383 4.703 4.320 0.000 0.000 0.243 387 A C -1.979 175.618 177.584 0.022 0.000 1.082 387 A CA -0.805 51.249 52.037 0.027 0.000 0.786 387 A CB -0.147 18.881 19.000 0.047 0.000 1.029 387 A HN -0.031 nan 8.150 nan 0.000 0.495 388 P HA 0.578 nan 4.420 nan 0.000 0.276 388 P C 0.039 177.348 177.300 0.015 0.000 1.244 388 P CA 0.495 63.603 63.100 0.014 0.000 0.801 388 P CB 1.299 33.005 31.700 0.011 0.000 1.006 389 G N 0.353 109.157 108.800 0.007 0.000 2.326 389 G HA2 0.031 3.991 3.960 0.000 0.000 0.413 389 G HA3 0.031 3.991 3.960 0.000 0.000 0.413 389 G C -1.219 173.679 174.900 -0.004 0.000 1.444 389 G CA -0.789 44.314 45.100 0.005 0.000 1.002 389 G HN 0.438 nan 8.290 nan 0.000 0.649 390 E N -0.197 119.996 120.200 -0.012 0.000 2.413 390 E HA 0.471 4.821 4.350 0.000 0.000 0.263 390 E C 0.776 177.354 176.600 -0.036 0.000 1.015 390 E CA 0.564 56.950 56.400 -0.024 0.000 0.916 390 E CB 1.311 30.994 29.700 -0.029 0.000 0.947 390 E HN 1.158 nan 8.360 nan 0.000 0.440 391 A N 2.509 125.302 122.820 -0.045 0.000 2.310 391 A HA 0.499 4.819 4.320 0.000 0.000 0.300 391 A C 0.229 177.757 177.584 -0.093 0.000 1.269 391 A CA -0.246 51.747 52.037 -0.073 0.000 0.909 391 A CB 0.158 19.120 19.000 -0.063 0.000 1.144 391 A HN 0.547 nan 8.150 nan 0.000 0.540 392 A N 5.458 128.198 122.820 -0.133 0.000 2.440 392 A HA 0.611 4.931 4.320 0.000 0.000 0.251 392 A C -1.885 175.599 177.584 -0.166 0.000 1.089 392 A CA -1.197 50.757 52.037 -0.138 0.000 0.779 392 A CB -0.239 18.671 19.000 -0.150 0.000 1.022 392 A HN 0.686 nan 8.150 nan 0.000 0.492 393 P HA 0.182 nan 4.420 nan 0.000 0.274 393 P C -0.585 176.663 177.300 -0.087 0.000 1.237 393 P CA -0.314 62.737 63.100 -0.082 0.000 0.793 393 P CB 0.522 32.200 31.700 -0.038 0.000 0.977 394 E N 1.967 122.147 120.200 -0.033 0.000 2.366 394 E HA 0.136 4.486 4.350 0.000 0.000 0.266 394 E C -1.724 174.884 176.600 0.013 0.000 1.015 394 E CA -1.279 55.134 56.400 0.022 0.000 0.906 394 E CB -0.368 29.416 29.700 0.140 0.000 0.979 394 E HN 0.377 nan 8.360 nan 0.000 0.443 395 P HA 0.001 nan 4.420 nan 0.000 0.271 395 P C -0.436 176.854 177.300 -0.016 0.000 1.216 395 P CA -0.297 62.803 63.100 0.001 0.000 0.776 395 P CB 0.577 32.289 31.700 0.020 0.000 0.881 396 V N 2.548 122.429 119.914 -0.055 0.000 2.694 396 V HA 0.414 4.534 4.120 0.000 0.000 0.306 396 V C 1.211 177.223 176.094 -0.136 0.000 1.054 396 V CA 1.881 64.110 62.300 -0.118 0.000 1.161 396 V CB -0.229 31.525 31.823 -0.114 0.000 0.916 396 V HN 1.140 nan 8.190 nan 0.000 0.490 397 G N 3.567 112.241 108.800 -0.210 0.000 2.362 397 G HA2 0.199 4.159 3.960 0.000 0.000 0.288 397 G HA3 0.199 4.159 3.960 0.000 0.000 0.288 397 G C -1.457 173.354 174.900 -0.150 0.000 1.305 397 G CA -0.664 44.319 45.100 -0.194 0.000 0.910 397 G HN 0.867 nan 8.290 nan 0.000 0.518 398 H N 0.045 118.988 119.070 -0.211 0.000 2.771 398 H HA 0.637 5.193 4.556 0.000 0.000 0.361 398 H C -1.328 173.799 175.328 -0.335 0.000 1.108 398 H CA -0.331 55.648 56.048 -0.115 0.000 1.201 398 H CB 1.910 31.665 29.762 -0.011 0.000 1.681 398 H HN 0.585 nan 8.280 nan 0.000 0.534 399 H N 3.630 122.360 119.070 -0.566 0.000 2.658 399 H HA 0.252 4.808 4.556 0.000 0.000 0.337 399 H C -0.827 174.108 175.328 -0.654 0.000 1.009 399 H CA -0.663 55.051 56.048 -0.556 0.000 1.231 399 H CB 1.796 31.151 29.762 -0.678 0.000 1.508 399 H HN 0.235 nan 8.280 nan 0.000 0.517 400 L N 4.378 125.387 121.223 -0.357 0.000 2.277 400 L HA 0.381 4.721 4.340 0.000 0.000 0.284 400 L C -1.394 175.257 176.870 -0.366 0.000 1.028 400 L CA -0.403 54.301 54.840 -0.227 0.000 0.835 400 L CB -0.312 41.735 42.059 -0.020 0.000 1.215 400 L HN 0.504 nan 8.230 nan 0.000 0.425 401 F N 5.251 125.163 119.950 -0.064 0.000 2.541 401 F HA 0.374 4.901 4.527 0.000 0.000 0.351 401 F C 1.536 177.284 175.800 -0.087 0.000 1.209 401 F CA 0.069 58.011 58.000 -0.096 0.000 1.277 401 F CB 0.124 39.054 39.000 -0.117 0.000 1.632 401 F HN 0.717 nan 8.300 nan 0.000 0.619 402 A N 2.013 124.851 122.820 0.031 0.000 1.940 402 A HA -0.098 4.222 4.320 0.000 0.000 0.219 402 A C 2.374 179.938 177.584 -0.033 0.000 1.176 402 A CA 1.719 53.760 52.037 0.006 0.000 0.631 402 A CB -0.649 18.338 19.000 -0.021 0.000 0.814 402 A HN 0.608 nan 8.150 nan 0.000 0.446 403 A N -0.311 122.448 122.820 -0.103 0.000 2.168 403 A HA 0.143 4.463 4.320 0.000 0.000 0.215 403 A C 1.837 179.231 177.584 -0.317 0.000 1.152 403 A CA 1.363 53.227 52.037 -0.290 0.000 0.716 403 A CB -0.624 18.013 19.000 -0.606 0.000 0.794 403 A HN 0.845 nan 8.150 nan 0.000 0.465 404 M N -3.710 115.794 119.600 -0.160 0.000 2.502 404 M HA 0.350 4.830 4.480 0.000 0.000 0.351 404 M C -0.752 175.537 176.300 -0.018 0.000 1.118 404 M CA -0.228 55.005 55.300 -0.113 0.000 0.952 404 M CB 0.271 32.795 32.600 -0.127 0.000 1.424 404 M HN -0.035 nan 8.290 nan 0.000 0.529 405 D N 2.203 122.614 120.400 0.020 0.000 2.699 405 D HA -0.112 4.528 4.640 0.000 0.000 0.239 405 D C -0.789 175.550 176.300 0.066 0.000 1.136 405 D CA 0.820 54.858 54.000 0.063 0.000 0.668 405 D CB -0.474 40.370 40.800 0.073 0.000 1.060 405 D HN 0.490 nan 8.370 nan 0.000 0.429 406 R N -0.388 120.166 120.500 0.092 0.000 2.686 406 R HA 0.890 5.231 4.340 0.000 0.000 0.283 406 R C -0.231 176.151 176.300 0.137 0.000 0.978 406 R CA -0.672 55.489 56.100 0.101 0.000 0.897 406 R CB 2.200 32.555 30.300 0.092 0.000 1.192 406 R HN 0.099 nan 8.270 nan 0.000 0.457 407 A N 1.357 124.204 122.820 0.044 0.000 2.454 407 A HA 0.798 5.118 4.320 0.000 0.000 0.302 407 A C -1.205 176.285 177.584 -0.156 0.000 1.079 407 A CA -0.668 51.313 52.037 -0.094 0.000 0.731 407 A CB 2.087 20.988 19.000 -0.165 0.000 1.299 407 A HN 0.336 nan 8.150 nan 0.000 0.413 408 V N 1.639 121.340 119.914 -0.355 0.000 2.733 408 V HA 0.481 4.601 4.120 0.000 0.000 0.306 408 V C -1.387 174.456 176.094 -0.418 0.000 1.084 408 V CA -0.342 61.829 62.300 -0.215 0.000 0.905 408 V CB 1.988 33.806 31.823 -0.009 0.000 1.010 408 V HN 1.055 nan 8.190 nan 0.000 0.424 409 H N 4.522 123.425 119.070 -0.279 0.000 2.600 409 H HA 0.751 5.308 4.556 0.000 0.000 0.357 409 H C -0.548 174.740 175.328 -0.065 0.000 1.106 409 H CA -0.595 55.358 56.048 -0.158 0.000 1.193 409 H CB 1.462 31.299 29.762 0.126 0.000 1.594 409 H HN 0.566 nan 8.280 nan 0.000 0.526 410 R N 3.679 123.906 120.500 -0.455 0.000 2.628 410 R HA 0.578 4.918 4.340 0.000 0.000 0.288 410 R C -0.706 175.236 176.300 -0.596 0.000 0.980 410 R CA -1.146 54.701 56.100 -0.422 0.000 0.891 410 R CB 1.679 31.868 30.300 -0.185 0.000 1.188 410 R HN 0.471 nan 8.270 nan 0.000 0.450 411 R N 1.511 121.646 120.500 -0.609 0.000 2.855 411 R HA 0.352 4.692 4.340 0.000 0.000 0.266 411 R C -1.991 174.169 176.300 -0.234 0.000 1.034 411 R CA -2.547 53.288 56.100 -0.442 0.000 0.944 411 R CB 0.551 30.514 30.300 -0.562 0.000 1.219 411 R HN 0.300 nan 8.270 nan 0.000 0.474 412 P HA -0.137 nan 4.420 nan 0.000 0.216 412 P C 0.757 178.077 177.300 0.033 0.000 1.153 412 P CA 1.880 64.968 63.100 -0.019 0.000 0.858 412 P CB 0.222 31.930 31.700 0.012 0.000 0.789 413 A N -2.114 120.751 122.820 0.076 0.000 2.119 413 A HA 0.217 4.537 4.320 0.000 0.000 0.216 413 A C 0.784 178.569 177.584 0.335 0.000 1.152 413 A CA 0.669 52.828 52.037 0.204 0.000 0.708 413 A CB -0.801 18.353 19.000 0.256 0.000 0.805 413 A HN 0.359 nan 8.150 nan 0.000 0.460 414 F N -4.748 115.255 119.950 0.089 0.000 2.858 414 F HA 0.635 5.162 4.527 0.000 0.000 0.319 414 F C -1.080 174.799 175.800 0.132 0.000 1.166 414 F CA -0.892 57.187 58.000 0.131 0.000 0.899 414 F CB 0.725 39.770 39.000 0.074 0.000 1.332 414 F HN -0.290 nan 8.300 nan 0.000 0.461 415 T N 1.452 116.226 114.554 0.367 0.000 2.861 415 T HA 0.859 5.209 4.350 0.000 0.000 0.287 415 T C -1.043 174.079 174.700 0.705 0.000 1.003 415 T CA -0.402 61.836 62.100 0.228 0.000 0.977 415 T CB 1.519 70.230 68.868 -0.262 0.000 0.996 415 T HN 1.058 nan 8.240 nan 0.000 0.448 416 A N 1.589 124.789 122.820 0.633 0.000 2.475 416 A HA 0.935 5.255 4.320 0.000 0.000 0.301 416 A C -0.257 177.616 177.584 0.482 0.000 1.059 416 A CA -0.845 51.605 52.037 0.687 0.000 0.710 416 A CB 1.796 21.286 19.000 0.817 0.000 1.288 416 A HN 1.054 nan 8.150 nan 0.000 0.408 417 G N 0.346 109.392 108.800 0.410 0.000 2.666 417 G HA2 0.587 4.547 3.960 0.000 0.000 0.303 417 G HA3 0.587 4.547 3.960 0.000 0.000 0.303 417 G C -1.534 173.452 174.900 0.143 0.000 1.412 417 G CA -0.376 44.867 45.100 0.237 0.000 0.979 417 G HN 0.970 nan 8.290 nan 0.000 0.507 418 L N 2.458 123.720 121.223 0.065 0.000 2.307 418 L HA 0.877 5.217 4.340 0.000 0.000 0.284 418 L C 0.117 176.970 176.870 -0.029 0.000 1.023 418 L CA -0.830 53.992 54.840 -0.030 0.000 0.810 418 L CB 1.537 43.516 42.059 -0.134 0.000 1.231 418 L HN 0.689 nan 8.230 nan 0.000 0.423 419 A N 6.531 129.345 122.820 -0.010 0.000 2.318 419 A HA 0.842 5.162 4.320 0.000 0.000 0.317 419 A C -0.591 177.037 177.584 0.073 0.000 1.159 419 A CA -0.616 51.444 52.037 0.037 0.000 0.799 419 A CB 0.843 19.884 19.000 0.069 0.000 1.194 419 A HN 0.831 nan 8.150 nan 0.000 0.479 420 M N 0.872 120.528 119.600 0.094 0.000 2.739 420 M HA 0.852 5.332 4.480 0.000 0.000 0.284 420 M C -0.074 176.309 176.300 0.137 0.000 1.103 420 M CA -0.673 54.724 55.300 0.162 0.000 0.809 420 M CB 2.207 34.919 32.600 0.188 0.000 1.708 420 M HN 0.906 nan 8.290 nan 0.000 0.481 421 A N 0.148 123.046 122.820 0.129 0.000 2.612 421 A HA 0.839 5.159 4.320 0.000 0.000 0.293 421 A C -1.051 176.542 177.584 0.016 0.000 1.075 421 A CA -0.247 51.804 52.037 0.024 0.000 0.680 421 A CB 1.556 20.495 19.000 -0.102 0.000 1.279 421 A HN 0.917 nan 8.150 nan 0.000 0.411 422 S N -0.509 115.170 115.700 -0.034 0.000 2.755 422 S HA 0.538 5.009 4.470 0.000 0.000 0.286 422 S C -0.193 174.385 174.600 -0.038 0.000 1.207 422 S CA 0.310 58.514 58.200 0.008 0.000 0.892 422 S CB 0.596 63.844 63.200 0.081 0.000 1.240 422 S HN 1.059 nan 8.310 nan 0.000 0.525 423 D N 0.005 120.406 120.400 0.002 0.000 2.363 423 D HA 0.027 4.667 4.640 0.000 0.000 0.220 423 D C 1.287 177.599 176.300 0.019 0.000 0.994 423 D CA 0.434 54.419 54.000 -0.025 0.000 0.890 423 D CB -0.261 40.545 40.800 0.010 0.000 0.906 423 D HN 0.514 nan 8.370 nan 0.000 0.530 424 R N -0.562 119.991 120.500 0.089 0.000 2.206 424 R HA 0.283 4.623 4.340 0.000 0.000 0.198 424 R C 0.148 176.599 176.300 0.251 0.000 0.986 424 R CA 0.169 56.392 56.100 0.205 0.000 1.029 424 R CB 0.976 31.363 30.300 0.146 0.000 0.966 424 R HN 0.120 nan 8.270 nan 0.000 0.487 425 I N 1.032 121.673 120.570 0.119 0.000 2.478 425 I HA 0.293 4.463 4.170 0.000 0.000 0.287 425 I C -0.088 176.051 176.117 0.038 0.000 1.042 425 I CA -1.241 60.130 61.300 0.118 0.000 1.067 425 I CB 1.466 39.504 38.000 0.064 0.000 1.233 425 I HN 0.009 nan 8.210 nan 0.000 0.431 426 A N 5.610 128.483 122.820 0.088 0.000 2.587 426 A HA -0.027 4.293 4.320 0.000 0.000 0.233 426 A C 1.323 178.945 177.584 0.063 0.000 1.049 426 A CA 0.410 52.468 52.037 0.035 0.000 0.754 426 A CB -0.153 18.904 19.000 0.096 0.000 0.977 426 A HN 0.787 nan 8.150 nan 0.000 0.509 427 H N 0.500 119.652 119.070 0.138 0.000 2.426 427 H HA -0.076 4.480 4.556 0.000 0.000 0.298 427 H C 0.269 175.786 175.328 0.314 0.000 1.107 427 H CA 2.561 58.741 56.048 0.221 0.000 1.298 427 H CB -0.209 29.723 29.762 0.282 0.000 1.377 427 H HN 0.821 nan 8.280 nan 0.000 0.519 428 Y N -2.159 118.219 120.300 0.130 0.000 2.765 428 Y HA 0.343 4.893 4.550 0.000 0.000 0.350 428 Y C -1.504 174.385 175.900 -0.017 0.000 1.196 428 Y CA -1.280 56.826 58.100 0.009 0.000 1.119 428 Y CB 1.168 39.599 38.460 -0.048 0.000 1.368 428 Y HN -0.120 nan 8.280 nan 0.000 0.463 429 E N 2.440 122.458 120.200 -0.303 0.000 2.151 429 E HA 0.629 4.979 4.350 0.000 0.000 0.275 429 E C -1.100 175.201 176.600 -0.498 0.000 0.936 429 E CA -0.811 55.359 56.400 -0.385 0.000 0.777 429 E CB 1.235 30.902 29.700 -0.054 0.000 1.108 429 E HN 0.887 nan 8.360 nan 0.000 0.401 430 C N 2.181 121.067 119.300 -0.690 0.000 2.562 430 C HA 1.077 5.537 4.460 0.000 0.000 0.332 430 C C 0.394 174.903 174.990 -0.802 0.000 1.201 430 C CA -0.085 58.619 59.018 -0.523 0.000 1.803 430 C CB 0.376 27.901 27.740 -0.358 0.000 2.328 430 C HN 0.845 nan 8.230 nan 0.000 0.500 431 G N 1.343 109.685 108.800 -0.762 0.000 2.404 431 G HA2 0.453 4.413 3.960 0.000 0.000 0.298 431 G HA3 0.453 4.413 3.960 0.000 0.000 0.298 431 G C -0.746 173.894 174.900 -0.434 0.000 1.577 431 G CA -0.576 43.801 45.100 -1.204 0.000 0.847 431 G HN 1.071 nan 8.290 nan 0.000 0.598 432 N N -0.943 117.696 118.700 -0.101 0.000 2.708 432 N HA -0.160 4.580 4.740 0.000 0.000 0.249 432 N C 1.610 177.113 175.510 -0.012 0.000 1.097 432 N CA 2.974 56.064 53.050 0.066 0.000 0.710 432 N CB -1.013 37.582 38.487 0.181 0.000 1.032 432 N HN 2.450 nan 8.380 nan 0.000 0.551 433 G N -1.411 107.344 108.800 -0.074 0.000 2.148 433 G HA2 -0.320 3.640 3.960 0.000 0.000 0.254 433 G HA3 -0.320 3.640 3.960 0.000 0.000 0.254 433 G C -0.271 174.583 174.900 -0.077 0.000 0.981 433 G CA 0.650 45.712 45.100 -0.064 0.000 0.670 433 G HN 0.606 nan 8.290 nan 0.000 0.528 434 E N -0.388 119.746 120.200 -0.111 0.000 2.207 434 E HA 0.535 4.885 4.350 0.000 0.000 0.270 434 E C 0.552 177.055 176.600 -0.161 0.000 0.927 434 E CA -0.855 55.486 56.400 -0.098 0.000 0.799 434 E CB 1.002 30.668 29.700 -0.056 0.000 1.172 434 E HN 0.104 nan 8.360 nan 0.000 0.404 435 N N 1.257 119.854 118.700 -0.171 0.000 2.758 435 N HA -0.120 4.620 4.740 0.000 0.000 0.248 435 N C -1.836 173.456 175.510 -0.363 0.000 1.076 435 N CA 0.370 53.255 53.050 -0.275 0.000 0.696 435 N CB -0.520 37.858 38.487 -0.182 0.000 0.979 435 N HN 0.387 nan 8.380 nan 0.000 0.550 436 P HA -0.096 nan 4.420 nan 0.000 0.226 436 P C 0.409 177.277 177.300 -0.719 0.000 1.153 436 P CA 1.071 63.950 63.100 -0.369 0.000 0.777 436 P CB 0.168 31.704 31.700 -0.273 0.000 0.794 437 R N -0.617 119.080 120.500 -1.338 0.000 2.577 437 R HA 0.271 4.611 4.340 0.000 0.000 0.344 437 R C 1.617 176.430 176.300 -2.479 0.000 1.037 437 R CA -0.020 54.659 56.100 -2.368 0.000 1.102 437 R CB 0.100 29.047 30.300 -2.255 0.000 1.313 437 R HN 0.070 nan 8.270 nan 0.000 0.561 438 G N 0.123 107.892 108.800 -1.718 0.000 3.234 438 G HA2 -0.102 3.858 3.960 0.000 0.000 0.221 438 G HA3 -0.102 3.858 3.960 0.000 0.000 0.221 438 G C 0.626 174.817 174.900 -1.182 0.000 1.229 438 G CA -0.360 44.119 45.100 -1.035 0.000 0.909 438 G HN 0.353 nan 8.290 nan 0.000 0.510 439 W N 0.019 120.528 121.300 -1.318 0.000 2.342 439 W HA -0.065 4.596 4.660 0.000 0.000 0.297 439 W C 1.259 177.347 176.519 -0.718 0.000 1.213 439 W CA 0.711 57.230 57.345 -1.378 0.000 1.251 439 W CB -0.579 28.122 29.460 -1.265 0.000 1.136 439 W HN 0.368 nan 8.180 nan 0.000 0.526 440 H N -0.286 118.809 119.070 0.042 0.000 2.520 440 H HA 0.087 4.643 4.556 0.000 0.000 0.284 440 H C 2.025 177.464 175.328 0.184 0.000 1.037 440 H CA 1.195 57.323 56.048 0.133 0.000 1.168 440 H CB -0.566 29.296 29.762 0.166 0.000 1.497 440 H HN 0.064 nan 8.280 nan 0.000 0.547 441 T N -2.355 112.343 114.554 0.240 0.000 3.025 441 T HA -0.059 4.291 4.350 0.000 0.000 0.270 441 T C 1.988 176.828 174.700 0.234 0.000 1.126 441 T CA 1.067 63.316 62.100 0.247 0.000 1.105 441 T CB -0.203 68.771 68.868 0.177 0.000 0.884 441 T HN 0.348 nan 8.240 nan 0.000 0.522 442 G N 0.044 109.013 108.800 0.281 0.000 3.233 442 G HA2 0.509 4.469 3.960 0.000 0.000 0.234 442 G HA3 0.509 4.469 3.960 0.000 0.000 0.234 442 G C 0.895 175.999 174.900 0.339 0.000 1.137 442 G CA 0.040 45.311 45.100 0.286 0.000 0.763 442 G HN 0.654 nan 8.290 nan 0.000 0.549 443 A N 0.441 123.476 122.820 0.358 0.000 2.929 443 A HA 0.553 4.873 4.320 0.000 0.000 0.279 443 A C 1.485 179.301 177.584 0.386 0.000 1.418 443 A CA 0.402 52.657 52.037 0.364 0.000 1.035 443 A CB -0.879 18.315 19.000 0.323 0.000 1.047 443 A HN 1.421 nan 8.150 nan 0.000 0.609 444 G N 0.063 109.107 108.800 0.407 0.000 2.291 444 G HA2 -0.226 3.734 3.960 0.000 0.000 0.271 444 G HA3 -0.226 3.734 3.960 0.000 0.000 0.271 444 G C 0.030 175.177 174.900 0.413 0.000 1.099 444 G CA 0.290 45.711 45.100 0.536 0.000 0.919 444 G HN 0.838 nan 8.290 nan 0.000 0.496 445 M N 0.322 120.077 119.600 0.259 0.000 2.162 445 M HA 0.616 5.096 4.480 0.000 0.000 0.356 445 M C -0.192 176.208 176.300 0.167 0.000 1.303 445 M CA -0.746 54.699 55.300 0.240 0.000 1.116 445 M CB 0.649 33.387 32.600 0.229 0.000 1.632 445 M HN 0.297 nan 8.290 nan 0.000 0.469 446 L N 7.062 128.428 121.223 0.239 0.000 2.301 446 L HA 0.463 4.803 4.340 0.000 0.000 0.278 446 L C -0.309 176.709 176.870 0.248 0.000 1.022 446 L CA 0.029 55.020 54.840 0.253 0.000 0.854 446 L CB 1.200 43.501 42.059 0.403 0.000 1.226 446 L HN 0.814 nan 8.230 nan 0.000 0.429 447 T N 1.940 116.544 114.554 0.084 0.000 2.928 447 T HA 0.720 5.070 4.350 0.000 0.000 0.284 447 T C -0.567 174.086 174.700 -0.078 0.000 1.008 447 T CA -0.624 61.350 62.100 -0.209 0.000 1.057 447 T CB 1.188 69.612 68.868 -0.739 0.000 1.018 447 T HN 0.690 nan 8.240 nan 0.000 0.493 448 W N 0.230 121.284 121.300 -0.411 0.000 3.066 448 W HA 0.558 5.218 4.660 0.000 0.000 0.330 448 W C -2.345 173.900 176.519 -0.457 0.000 1.253 448 W CA -1.579 55.578 57.345 -0.312 0.000 1.187 448 W CB 0.742 30.248 29.460 0.076 0.000 1.434 448 W HN 0.632 nan 8.180 nan 0.000 0.572 449 W N 1.120 122.823 121.300 0.671 0.000 2.915 449 W HA 0.542 5.202 4.660 0.000 0.000 0.337 449 W C -0.546 176.292 176.519 0.532 0.000 1.102 449 W CA -1.302 56.327 57.345 0.473 0.000 1.224 449 W CB 2.415 32.056 29.460 0.302 0.000 1.416 449 W HN 0.596 nan 8.180 nan 0.000 0.503 450 A N 3.387 126.588 122.820 0.635 0.000 2.354 450 A HA 0.294 4.614 4.320 0.000 0.000 0.281 450 A C 0.204 178.025 177.584 0.394 0.000 1.174 450 A CA -0.378 51.927 52.037 0.446 0.000 0.828 450 A CB -0.022 19.161 19.000 0.305 0.000 1.099 450 A HN 0.550 nan 8.150 nan 0.000 0.516 451 N N 1.136 120.046 118.700 0.351 0.000 2.441 451 N HA 0.310 5.050 4.740 0.000 0.000 0.251 451 N C 1.265 176.910 175.510 0.225 0.000 1.242 451 N CA 1.451 54.688 53.050 0.313 0.000 0.898 451 N CB 0.641 39.273 38.487 0.241 0.000 1.100 451 N HN 1.207 nan 8.380 nan 0.000 0.443 452 G N -0.172 108.747 108.800 0.198 0.000 2.168 452 G HA2 -0.279 3.681 3.960 0.000 0.000 0.257 452 G HA3 -0.279 3.681 3.960 0.000 0.000 0.257 452 G C 0.264 175.237 174.900 0.121 0.000 0.997 452 G CA 1.058 46.236 45.100 0.129 0.000 0.708 452 G HN 0.905 nan 8.290 nan 0.000 0.520 453 T N -3.244 111.402 114.554 0.153 0.000 2.949 453 T HA 0.682 5.032 4.350 0.000 0.000 0.287 453 T C 0.348 175.122 174.700 0.123 0.000 1.034 453 T CA -0.295 61.874 62.100 0.116 0.000 1.018 453 T CB 1.917 70.843 68.868 0.097 0.000 1.135 453 T HN 0.573 nan 8.240 nan 0.000 0.532 454 R N 0.596 121.147 120.500 0.084 0.000 2.504 454 R HA 0.306 4.646 4.340 0.000 0.000 0.291 454 R C 0.371 176.759 176.300 0.147 0.000 0.974 454 R CA 0.182 56.329 56.100 0.078 0.000 1.077 454 R CB -0.155 30.169 30.300 0.039 0.000 0.926 454 R HN 0.836 nan 8.270 nan 0.000 0.407 455 A N 4.811 127.747 122.820 0.192 0.000 3.258 455 A HA 0.078 4.398 4.320 0.000 0.000 0.275 455 A C -0.065 177.790 177.584 0.451 0.000 1.452 455 A CA -0.392 51.863 52.037 0.362 0.000 1.120 455 A CB -0.182 18.953 19.000 0.224 0.000 1.107 455 A HN 0.873 nan 8.150 nan 0.000 0.651 456 D N -1.081 119.486 120.400 0.278 0.000 2.431 456 D HA -0.027 4.613 4.640 0.000 0.000 0.213 456 D C 1.246 177.617 176.300 0.118 0.000 1.130 456 D CA -0.024 54.104 54.000 0.214 0.000 0.834 456 D CB -0.050 40.799 40.800 0.082 0.000 0.985 456 D HN 0.313 nan 8.370 nan 0.000 0.504 457 Q N 0.763 120.575 119.800 0.020 0.000 2.082 457 Q HA -0.260 4.080 4.340 0.000 0.000 0.211 457 Q C 0.785 176.438 176.000 -0.579 0.000 1.002 457 Q CA 1.975 57.535 55.803 -0.404 0.000 0.868 457 Q CB -0.678 27.546 28.738 -0.857 0.000 0.931 457 Q HN 0.504 nan 8.270 nan 0.000 0.414 458 Y N -0.844 119.407 120.300 -0.082 0.000 2.466 458 Y HA 0.196 4.746 4.550 0.000 0.000 0.272 458 Y C 1.934 177.883 175.900 0.082 0.000 1.169 458 Y CA 0.908 58.827 58.100 -0.301 0.000 1.285 458 Y CB 0.199 38.464 38.460 -0.326 0.000 1.078 458 Y HN 0.127 nan 8.280 nan 0.000 0.523 459 T N -1.750 112.966 114.554 0.270 0.000 2.983 459 T HA -0.080 4.270 4.350 0.000 0.000 0.250 459 T C 0.717 175.577 174.700 0.267 0.000 1.037 459 T CA 0.673 62.960 62.100 0.311 0.000 1.142 459 T CB -0.157 68.899 68.868 0.313 0.000 0.876 459 T HN 0.031 nan 8.240 nan 0.000 0.455 460 D N 0.344 120.873 120.400 0.216 0.000 2.671 460 D HA 0.044 4.684 4.640 0.000 0.000 0.228 460 D C -0.794 175.734 176.300 0.381 0.000 1.102 460 D CA -0.558 53.609 54.000 0.277 0.000 1.044 460 D CB -0.968 39.914 40.800 0.137 0.000 1.113 460 D HN 0.335 nan 8.370 nan 0.000 0.480 461 W N 0.763 122.141 121.300 0.129 0.000 5.121 461 W HA -0.308 4.353 4.660 0.000 0.000 0.372 461 W C 0.928 177.403 176.519 -0.073 0.000 1.394 461 W CA -0.075 57.263 57.345 -0.011 0.000 0.885 461 W CB -2.744 26.693 29.460 -0.038 0.000 2.520 461 W HN 0.359 nan 8.180 nan 0.000 1.455 462 F N -0.529 119.379 119.950 -0.070 0.000 2.039 462 F HA -0.078 4.449 4.527 0.000 0.000 0.294 462 F C 2.169 177.812 175.800 -0.263 0.000 1.130 462 F CA 2.390 60.263 58.000 -0.213 0.000 1.189 462 F CB -0.598 38.092 39.000 -0.517 0.000 0.983 462 F HN -0.059 nan 8.300 nan 0.000 0.471 463 W N 1.148 122.597 121.300 0.248 0.000 2.363 463 W HA -0.066 4.594 4.660 0.000 0.000 0.296 463 W C -0.624 175.767 176.519 -0.214 0.000 1.212 463 W CA 0.775 58.123 57.345 0.005 0.000 1.260 463 W CB -2.093 27.506 29.460 0.232 0.000 1.131 463 W HN 0.088 nan 8.180 nan 0.000 0.530 464 P HA -0.020 nan 4.420 nan 0.000 0.241 464 P C 1.081 178.349 177.300 -0.053 0.000 1.191 464 P CA 1.812 64.746 63.100 -0.277 0.000 0.771 464 P CB 0.006 31.247 31.700 -0.765 0.000 0.929 465 T N -4.724 109.792 114.554 -0.063 0.000 2.975 465 T HA 0.140 4.490 4.350 0.000 0.000 0.257 465 T C 0.695 175.164 174.700 -0.385 0.000 1.003 465 T CA -0.158 61.913 62.100 -0.050 0.000 0.932 465 T CB -0.633 68.338 68.868 0.170 0.000 1.087 465 T HN -0.132 nan 8.240 nan 0.000 0.512 466 V N 2.864 122.366 119.914 -0.687 0.000 2.999 466 V HA 0.219 4.340 4.120 0.000 0.000 0.307 466 V C 0.010 175.514 176.094 -0.983 0.000 1.084 466 V CA -0.232 61.255 62.300 -1.355 0.000 1.155 466 V CB 0.807 31.736 31.823 -1.490 0.000 0.975 466 V HN 0.497 nan 8.190 nan 0.000 0.490 467 D N 4.917 124.742 120.400 -0.959 0.000 2.344 467 D HA 0.044 4.684 4.640 0.000 0.000 0.253 467 D C 0.403 176.531 176.300 -0.286 0.000 1.255 467 D CA 0.040 53.765 54.000 -0.459 0.000 0.894 467 D CB 0.285 40.829 40.800 -0.426 0.000 1.067 467 D HN 0.622 nan 8.370 nan 0.000 0.492 468 W N 2.644 123.877 121.300 -0.111 0.000 2.825 468 W HA -0.055 4.605 4.660 0.000 0.000 0.243 468 W C 1.077 177.588 176.519 -0.013 0.000 1.293 468 W CA -0.083 57.197 57.345 -0.110 0.000 1.403 468 W CB -0.218 29.048 29.460 -0.324 0.000 1.134 468 W HN 0.550 nan 8.180 nan 0.000 0.666 469 Y N -0.550 119.936 120.300 0.311 0.000 2.511 469 Y HA 0.147 4.697 4.550 0.000 0.000 0.279 469 Y C 1.107 177.023 175.900 0.027 0.000 1.157 469 Y CA 0.708 58.960 58.100 0.253 0.000 1.300 469 Y CB 0.024 38.547 38.460 0.105 0.000 1.052 469 Y HN -0.248 nan 8.280 nan 0.000 0.529 470 R N 0.762 121.290 120.500 0.048 0.000 2.738 470 R HA 0.301 4.641 4.340 0.000 0.000 0.280 470 R C -1.137 175.130 176.300 -0.055 0.000 1.456 470 R CA -0.192 55.866 56.100 -0.070 0.000 1.612 470 R CB 0.288 30.456 30.300 -0.220 0.000 1.286 470 R HN 0.106 nan 8.270 nan 0.000 0.660 471 L N 2.823 124.081 121.223 0.058 0.000 2.426 471 L HA 0.256 4.596 4.340 0.000 0.000 0.271 471 L C -1.760 175.204 176.870 0.157 0.000 1.169 471 L CA -1.850 53.070 54.840 0.133 0.000 0.836 471 L CB 0.258 42.465 42.059 0.247 0.000 1.112 471 L HN -0.005 nan 8.230 nan 0.000 0.465 472 P HA 0.024 nan 4.420 nan 0.000 0.267 472 P C 0.757 178.225 177.300 0.281 0.000 1.209 472 P CA 0.670 63.898 63.100 0.214 0.000 0.763 472 P CB 1.033 32.869 31.700 0.227 0.000 0.816 473 G N 2.278 111.259 108.800 0.301 0.000 2.241 473 G HA2 -0.225 3.735 3.960 0.000 0.000 0.244 473 G HA3 -0.225 3.735 3.960 0.000 0.000 0.244 473 G C 0.373 175.514 174.900 0.401 0.000 0.998 473 G CA 0.372 45.738 45.100 0.443 0.000 0.621 473 G HN 0.836 nan 8.290 nan 0.000 0.519 474 T N -0.971 113.753 114.554 0.284 0.000 2.849 474 T HA 0.607 4.957 4.350 0.000 0.000 0.284 474 T C -0.016 174.793 174.700 0.182 0.000 1.004 474 T CA 0.592 62.851 62.100 0.265 0.000 1.021 474 T CB 2.030 71.021 68.868 0.204 0.000 1.013 474 T HN 0.396 nan 8.240 nan 0.000 0.527 475 T N 1.630 116.291 114.554 0.178 0.000 2.809 475 T HA 0.617 4.967 4.350 0.000 0.000 0.284 475 T C -0.353 174.375 174.700 0.047 0.000 0.992 475 T CA -0.678 61.506 62.100 0.140 0.000 0.957 475 T CB 0.960 69.952 68.868 0.206 0.000 0.942 475 T HN 0.958 nan 8.240 nan 0.000 0.439 476 V N 0.557 120.457 119.914 -0.024 0.000 3.007 476 V HA 0.823 4.943 4.120 0.000 0.000 0.311 476 V C 0.190 176.251 176.094 -0.055 0.000 1.120 476 V CA -1.131 61.076 62.300 -0.155 0.000 0.980 476 V CB 1.871 33.410 31.823 -0.472 0.000 1.033 476 V HN 0.769 nan 8.190 nan 0.000 0.429 477 S N 1.631 117.306 115.700 -0.041 0.000 2.549 477 S HA 0.168 4.638 4.470 0.000 0.000 0.286 477 S C 1.378 175.973 174.600 -0.008 0.000 1.314 477 S CA 0.412 58.606 58.200 -0.011 0.000 1.062 477 S CB 0.790 63.989 63.200 -0.002 0.000 0.865 477 S HN 1.639 nan 8.310 nan 0.000 0.498 478 T N 1.806 116.342 114.554 -0.029 0.000 3.160 478 T HA 0.088 4.438 4.350 0.000 0.000 0.257 478 T C 0.674 175.303 174.700 -0.119 0.000 1.147 478 T CA -0.024 62.030 62.100 -0.077 0.000 1.064 478 T CB -0.305 68.481 68.868 -0.137 0.000 0.949 478 T HN 0.675 nan 8.240 nan 0.000 0.526 479 K N 2.281 122.649 120.400 -0.054 0.000 2.530 479 K HA -0.045 4.275 4.320 0.000 0.000 0.280 479 K C 0.479 177.042 176.600 -0.062 0.000 1.004 479 K CA -0.280 55.965 56.287 -0.069 0.000 1.071 479 K CB 0.382 32.854 32.500 -0.048 0.000 0.876 479 K HN 0.378 nan 8.250 nan 0.000 0.487 480 R N 4.329 124.751 120.500 -0.130 0.000 2.570 480 R HA 0.121 4.461 4.340 0.000 0.000 0.277 480 R C -0.733 175.496 176.300 -0.119 0.000 1.039 480 R CA 0.034 56.071 56.100 -0.106 0.000 1.065 480 R CB 0.358 30.588 30.300 -0.117 0.000 0.964 480 R HN 0.536 nan 8.270 nan 0.000 0.428 481 L N 3.197 124.290 121.223 -0.217 0.000 2.370 481 L HA 0.583 4.923 4.340 0.000 0.000 0.266 481 L C -0.196 176.491 176.870 -0.306 0.000 1.002 481 L CA -1.239 53.295 54.840 -0.511 0.000 0.818 481 L CB 2.060 43.324 42.059 -1.325 0.000 1.325 481 L HN 0.798 nan 8.230 nan 0.000 0.418 482 A N 0.691 123.411 122.820 -0.167 0.000 2.351 482 A HA 0.307 4.627 4.320 0.000 0.000 0.257 482 A C -0.570 177.132 177.584 0.197 0.000 1.087 482 A CA -0.503 51.545 52.037 0.018 0.000 0.798 482 A CB 0.058 19.060 19.000 0.004 0.000 1.033 482 A HN 0.699 nan 8.150 nan 0.000 0.488 483 D N 1.256 121.786 120.400 0.216 0.000 2.571 483 D HA 0.116 4.756 4.640 0.000 0.000 0.231 483 D C 0.765 177.168 176.300 0.172 0.000 1.133 483 D CA 1.063 55.173 54.000 0.184 0.000 0.862 483 D CB 0.099 40.925 40.800 0.043 0.000 1.179 483 D HN 0.580 nan 8.370 nan 0.000 0.474 484 R N -0.654 119.961 120.500 0.192 0.000 3.953 484 R HA -0.206 4.134 4.340 0.000 0.000 0.340 484 R C 0.027 176.452 176.300 0.209 0.000 1.195 484 R CA 0.716 56.912 56.100 0.159 0.000 0.929 484 R CB -2.360 27.941 30.300 0.000 0.000 1.402 484 R HN 0.484 nan 8.270 nan 0.000 0.540 485 A N 0.645 123.644 122.820 0.298 0.000 2.565 485 A HA 0.384 4.704 4.320 0.000 0.000 0.237 485 A C 1.741 179.444 177.584 0.198 0.000 1.053 485 A CA 1.263 53.385 52.037 0.142 0.000 0.755 485 A CB 0.032 18.982 19.000 -0.083 0.000 0.980 485 A HN 1.054 nan 8.150 nan 0.000 0.506 486 G N 0.860 109.715 108.800 0.091 0.000 2.225 486 G HA2 0.299 4.259 3.960 0.000 0.000 0.254 486 G HA3 0.299 4.259 3.960 0.000 0.000 0.254 486 G C 1.615 176.541 174.900 0.043 0.000 0.988 486 G CA 0.703 45.857 45.100 0.090 0.000 0.625 486 G HN 3.221 nan 8.290 nan 0.000 0.527 487 G N -1.104 107.705 108.800 0.015 0.000 2.619 487 G HA2 0.316 4.276 3.960 0.000 0.000 0.686 487 G HA3 0.316 4.276 3.960 0.000 0.000 0.686 487 G C -0.577 174.234 174.900 -0.149 0.000 1.256 487 G CA 0.292 45.369 45.100 -0.038 0.000 0.826 487 G HN 0.907 nan 8.290 nan 0.000 0.619 488 E N -0.975 119.112 120.200 -0.189 0.000 2.267 488 E HA 0.540 4.890 4.350 0.000 0.000 0.258 488 E C -0.038 176.395 176.600 -0.277 0.000 1.074 488 E CA -0.401 55.724 56.400 -0.458 0.000 0.915 488 E CB 0.742 30.016 29.700 -0.709 0.000 1.186 488 E HN 0.815 nan 8.360 nan 0.000 0.439 489 W N -0.192 121.071 121.300 -0.062 0.000 4.141 489 W HA -0.227 4.433 4.660 0.000 0.000 0.336 489 W C 0.995 177.590 176.519 0.128 0.000 1.258 489 W CA 0.092 57.448 57.345 0.019 0.000 0.747 489 W CB -1.818 27.623 29.460 -0.033 0.000 2.338 489 W HN 0.918 nan 8.180 nan 0.000 1.410 490 G N -1.315 107.565 108.800 0.133 0.000 2.143 490 G HA2 -0.110 3.850 3.960 0.000 0.000 0.248 490 G HA3 -0.110 3.850 3.960 0.000 0.000 0.248 490 G C 1.146 176.104 174.900 0.097 0.000 0.991 490 G CA 0.619 45.822 45.100 0.172 0.000 0.689 490 G HN 1.278 nan 8.290 nan 0.000 0.522 491 A N 0.346 123.192 122.820 0.043 0.000 1.917 491 A HA 0.143 4.463 4.320 0.000 0.000 0.219 491 A C -0.188 177.309 177.584 -0.145 0.000 1.182 491 A CA 1.990 53.987 52.037 -0.066 0.000 0.633 491 A CB -0.809 18.192 19.000 0.002 0.000 0.819 491 A HN 0.594 nan 8.150 nan 0.000 0.448 492 P HA 0.407 nan 4.420 nan 0.000 0.287 492 P C -1.129 176.200 177.300 0.048 0.000 1.307 492 P CA 0.082 63.216 63.100 0.057 0.000 0.777 492 P CB 0.995 32.823 31.700 0.213 0.000 0.883 493 K N 4.734 125.082 120.400 -0.088 0.000 2.397 493 K HA 0.472 4.792 4.320 0.000 0.000 0.253 493 K C -2.404 174.099 176.600 -0.162 0.000 0.932 493 K CA -2.178 53.972 56.287 -0.228 0.000 0.795 493 K CB 2.021 34.334 32.500 -0.311 0.000 1.159 493 K HN 0.336 nan 8.250 nan 0.000 0.424 494 P HA 0.007 nan 4.420 nan 0.000 0.271 494 P C -0.762 176.493 177.300 -0.076 0.000 1.218 494 P CA -0.174 62.888 63.100 -0.064 0.000 0.780 494 P CB 0.663 32.313 31.700 -0.082 0.000 0.901 495 D N 2.140 122.510 120.400 -0.051 0.000 2.741 495 D HA 0.251 4.891 4.640 0.000 0.000 0.233 495 D C -0.294 175.964 176.300 -0.072 0.000 1.160 495 D CA -0.349 53.622 54.000 -0.048 0.000 1.003 495 D CB -0.756 40.029 40.800 -0.025 0.000 1.064 495 D HN 0.141 nan 8.370 nan 0.000 0.503 496 V N -0.482 119.393 119.914 -0.064 0.000 3.078 496 V HA 0.613 4.733 4.120 0.000 0.000 0.311 496 V C 0.730 176.886 176.094 0.103 0.000 1.138 496 V CA -0.924 61.350 62.300 -0.042 0.000 1.007 496 V CB 2.224 33.949 31.823 -0.163 0.000 1.045 496 V HN 0.111 nan 8.190 nan 0.000 0.432 497 R N 0.689 121.326 120.500 0.228 0.000 2.225 497 R HA 0.218 4.558 4.340 0.000 0.000 0.194 497 R C 0.102 176.604 176.300 0.336 0.000 0.949 497 R CA 0.166 56.406 56.100 0.234 0.000 1.088 497 R CB 0.508 30.937 30.300 0.215 0.000 1.106 497 R HN 0.776 nan 8.270 nan 0.000 0.566 498 W N 2.720 124.200 121.300 0.301 0.000 2.430 498 W HA 0.254 4.914 4.660 0.000 0.000 0.380 498 W C -1.058 175.693 176.519 0.387 0.000 1.045 498 W CA -0.083 57.471 57.345 0.349 0.000 1.547 498 W CB 0.531 30.297 29.460 0.510 0.000 1.554 498 W HN -0.267 nan 8.180 nan 0.000 0.378 499 V N 6.002 126.274 119.914 0.597 0.000 2.567 499 V HA 0.873 4.993 4.120 0.000 0.000 0.298 499 V C 0.267 176.523 176.094 0.270 0.000 1.047 499 V CA -0.238 62.380 62.300 0.529 0.000 0.880 499 V CB 0.846 32.882 31.823 0.355 0.000 1.009 499 V HN 0.675 nan 8.190 nan 0.000 0.429 500 G N 2.840 111.823 108.800 0.305 0.000 2.398 500 G HA2 0.693 4.653 3.960 0.000 0.000 0.251 500 G HA3 0.693 4.653 3.960 0.000 0.000 0.251 500 G C -0.316 174.683 174.900 0.166 0.000 1.277 500 G CA 0.584 45.756 45.100 0.119 0.000 0.927 500 G HN 1.660 nan 8.290 nan 0.000 0.477 501 G N -1.742 107.071 108.800 0.022 0.000 2.321 501 G HA2 0.795 4.755 3.960 0.000 0.000 0.296 501 G HA3 0.795 4.755 3.960 0.000 0.000 0.296 501 G C -1.207 173.693 174.900 0.000 0.000 1.287 501 G CA 0.848 45.990 45.100 0.071 0.000 0.846 501 G HN 2.236 nan 8.290 nan 0.000 0.508 502 A N -0.829 122.004 122.820 0.022 0.000 2.414 502 A HA 0.948 5.268 4.320 0.000 0.000 0.306 502 A C -0.366 177.205 177.584 -0.021 0.000 1.054 502 A CA 0.110 52.145 52.037 -0.003 0.000 0.724 502 A CB 2.101 21.115 19.000 0.023 0.000 1.267 502 A HN 1.762 nan 8.150 nan 0.000 0.418 503 T N -0.227 114.300 114.554 -0.045 0.000 2.883 503 T HA 0.507 4.858 4.350 0.000 0.000 0.301 503 T C -0.927 173.745 174.700 -0.047 0.000 1.158 503 T CA 0.013 62.074 62.100 -0.064 0.000 1.007 503 T CB 1.438 70.251 68.868 -0.091 0.000 1.186 503 T HN 0.704 nan 8.240 nan 0.000 0.499 504 D N 0.740 121.120 120.400 -0.034 0.000 2.388 504 D HA 0.301 4.941 4.640 0.000 0.000 0.221 504 D C 1.443 177.693 176.300 -0.083 0.000 1.133 504 D CA 0.509 54.481 54.000 -0.047 0.000 0.831 504 D CB -0.224 40.564 40.800 -0.019 0.000 0.962 504 D HN 1.083 nan 8.370 nan 0.000 0.502 505 G N 0.489 109.227 108.800 -0.103 0.000 2.199 505 G HA2 -0.377 3.583 3.960 0.000 0.000 0.254 505 G HA3 -0.377 3.583 3.960 0.000 0.000 0.254 505 G C 0.773 175.574 174.900 -0.166 0.000 0.982 505 G CA 0.530 45.530 45.100 -0.166 0.000 0.632 505 G HN 0.503 nan 8.290 nan 0.000 0.529 506 E N -1.738 118.359 120.200 -0.172 0.000 2.520 506 E HA 0.395 4.745 4.350 0.000 0.000 0.201 506 E C 0.127 176.534 176.600 -0.322 0.000 0.894 506 E CA -0.257 55.932 56.400 -0.352 0.000 1.161 506 E CB 0.571 29.907 29.700 -0.606 0.000 1.137 506 E HN 0.397 nan 8.360 nan 0.000 0.510 507 Y N -0.214 120.166 120.300 0.132 0.000 2.621 507 Y HA 0.769 5.319 4.550 0.000 0.000 0.334 507 Y C -0.300 175.569 175.900 -0.052 0.000 1.074 507 Y CA -0.913 57.276 58.100 0.149 0.000 1.149 507 Y CB 2.129 40.671 38.460 0.136 0.000 1.302 507 Y HN 0.081 nan 8.280 nan 0.000 0.501 508 A N 0.345 123.227 122.820 0.103 0.000 2.589 508 A HA 0.830 5.150 4.320 0.000 0.000 0.296 508 A C -1.728 175.941 177.584 0.142 0.000 1.062 508 A CA -0.509 51.468 52.037 -0.100 0.000 0.686 508 A CB 0.831 19.338 19.000 -0.821 0.000 1.282 508 A HN 0.980 nan 8.150 nan 0.000 0.404 509 A N 1.346 124.243 122.820 0.129 0.000 2.249 509 A HA 0.672 4.992 4.320 0.000 0.000 0.314 509 A C -0.597 177.035 177.584 0.080 0.000 1.290 509 A CA -0.380 51.724 52.037 0.111 0.000 0.893 509 A CB 0.327 19.458 19.000 0.218 0.000 1.165 509 A HN 1.364 nan 8.150 nan 0.000 0.530 510 V N 1.734 121.703 119.914 0.092 0.000 2.680 510 V HA 0.876 4.996 4.120 0.000 0.000 0.309 510 V C 0.553 176.873 176.094 0.377 0.000 1.052 510 V CA -0.064 62.427 62.300 0.318 0.000 0.908 510 V CB 2.159 34.278 31.823 0.494 0.000 1.001 510 V HN 1.219 nan 8.190 nan 0.000 0.431 511 G N 2.318 111.438 108.800 0.533 0.000 2.667 511 G HA2 0.649 4.609 3.960 0.000 0.000 0.298 511 G HA3 0.649 4.609 3.960 0.000 0.000 0.298 511 G C -1.693 173.678 174.900 0.785 0.000 1.377 511 G CA -0.469 44.921 45.100 0.484 0.000 0.964 511 G HN 0.612 nan 8.290 nan 0.000 0.493 512 Q N 0.344 120.607 119.800 0.772 0.000 2.290 512 Q HA 0.284 4.624 4.340 0.000 0.000 0.269 512 Q C -1.205 175.051 176.000 0.426 0.000 1.016 512 Q CA -0.753 55.449 55.803 0.665 0.000 0.754 512 Q CB 1.406 30.531 28.738 0.645 0.000 1.247 512 Q HN 0.827 nan 8.270 nan 0.000 0.451 513 H N 5.069 124.299 119.070 0.267 0.000 2.934 513 H HA 0.246 4.802 4.556 0.000 0.000 0.273 513 H C -1.110 174.244 175.328 0.042 0.000 1.121 513 H CA -0.644 55.347 56.048 -0.094 0.000 1.451 513 H CB 0.669 30.461 29.762 0.051 0.000 1.469 513 H HN 0.470 nan 8.280 nan 0.000 0.476 514 L N 5.923 127.233 121.223 0.145 0.000 2.275 514 L HA 0.302 4.642 4.340 0.000 0.000 0.288 514 L C -0.924 175.976 176.870 0.049 0.000 1.046 514 L CA -0.268 54.645 54.840 0.122 0.000 0.805 514 L CB 0.958 43.111 42.059 0.156 0.000 1.193 514 L HN 0.572 nan 8.230 nan 0.000 0.426 515 K N 4.391 124.820 120.400 0.048 0.000 2.339 515 K HA 0.550 4.870 4.320 0.000 0.000 0.264 515 K C 0.015 176.712 176.600 0.162 0.000 0.986 515 K CA -0.665 55.660 56.287 0.062 0.000 0.866 515 K CB 1.477 33.979 32.500 0.003 0.000 1.103 515 K HN 0.868 nan 8.250 nan 0.000 0.441 516 G N 2.275 111.135 108.800 0.100 0.000 2.544 516 G HA2 0.086 4.046 3.960 0.000 0.000 0.242 516 G HA3 0.086 4.046 3.960 0.000 0.000 0.242 516 G C -0.295 174.593 174.900 -0.020 0.000 1.247 516 G CA -0.577 44.571 45.100 0.080 0.000 0.840 516 G HN 0.605 nan 8.290 nan 0.000 0.578 517 L N 1.553 122.648 121.223 -0.213 0.000 2.477 517 L HA 0.413 4.754 4.340 0.000 0.000 0.272 517 L C 1.379 178.159 176.870 -0.151 0.000 1.157 517 L CA 1.265 55.900 54.840 -0.342 0.000 0.889 517 L CB 0.313 42.073 42.059 -0.498 0.000 1.158 517 L HN 1.141 nan 8.230 nan 0.000 0.473 518 G N 2.708 111.451 108.800 -0.096 0.000 2.249 518 G HA2 -0.275 3.685 3.960 0.000 0.000 0.273 518 G HA3 -0.275 3.685 3.960 0.000 0.000 0.273 518 G C 0.036 174.897 174.900 -0.065 0.000 1.036 518 G CA 0.480 45.527 45.100 -0.087 0.000 0.824 518 G HN 0.978 nan 8.290 nan 0.000 0.504 519 S N -2.108 113.572 115.700 -0.033 0.000 2.579 519 S HA 0.720 5.190 4.470 0.000 0.000 0.272 519 S C 1.166 175.763 174.600 -0.005 0.000 1.141 519 S CA 0.920 59.108 58.200 -0.019 0.000 0.843 519 S CB 1.208 64.404 63.200 -0.006 0.000 1.122 519 S HN 1.238 nan 8.310 nan 0.000 0.468 520 T N 1.150 115.701 114.554 -0.005 0.000 3.129 520 T HA 0.190 4.540 4.350 0.000 0.000 0.251 520 T C 0.775 175.477 174.700 0.004 0.000 1.117 520 T CA -0.016 62.084 62.100 -0.000 0.000 1.034 520 T CB -0.531 68.335 68.868 -0.004 0.000 0.968 520 T HN 0.486 nan 8.240 nan 0.000 0.526 521 L N 2.372 123.599 121.223 0.008 0.000 2.578 521 L HA 0.303 4.643 4.340 0.000 0.000 0.279 521 L C 0.044 176.925 176.870 0.017 0.000 1.227 521 L CA 0.486 55.333 54.840 0.011 0.000 0.900 521 L CB 0.011 42.081 42.059 0.019 0.000 1.144 521 L HN 0.404 nan 8.230 nan 0.000 0.496 522 E N 4.047 124.251 120.200 0.007 0.000 2.293 522 E HA 0.811 5.161 4.350 0.000 0.000 0.270 522 E C -1.756 174.829 176.600 -0.024 0.000 0.879 522 E CA -0.663 55.747 56.400 0.015 0.000 0.756 522 E CB 1.692 31.410 29.700 0.029 0.000 1.208 522 E HN 0.905 nan 8.360 nan 0.000 0.428 523 A N 3.512 126.312 122.820 -0.033 0.000 2.604 523 A HA 0.652 4.972 4.320 0.000 0.000 0.295 523 A C -1.543 175.887 177.584 -0.256 0.000 1.067 523 A CA -0.902 51.058 52.037 -0.127 0.000 0.683 523 A CB 1.643 20.614 19.000 -0.050 0.000 1.281 523 A HN 0.510 nan 8.150 nan 0.000 0.407 524 R N 1.465 121.692 120.500 -0.454 0.000 2.310 524 R HA 0.479 4.819 4.340 0.000 0.000 0.324 524 R C -1.124 174.929 176.300 -0.413 0.000 0.955 524 R CA -0.303 55.339 56.100 -0.763 0.000 0.830 524 R CB 1.517 31.010 30.300 -1.345 0.000 1.154 524 R HN 0.688 nan 8.270 nan 0.000 0.458 525 K N 1.193 121.442 120.400 -0.252 0.000 2.270 525 K HA 0.480 4.801 4.320 0.000 0.000 0.255 525 K C -0.470 175.876 176.600 -0.423 0.000 0.936 525 K CA -0.452 55.614 56.287 -0.368 0.000 0.809 525 K CB 2.259 34.543 32.500 -0.360 0.000 1.131 525 K HN 0.364 nan 8.250 nan 0.000 0.427 526 S N 1.350 116.669 115.700 -0.635 0.000 2.568 526 S HA 0.547 5.017 4.470 0.000 0.000 0.293 526 S C -1.396 172.673 174.600 -0.886 0.000 1.089 526 S CA -0.878 56.959 58.200 -0.605 0.000 0.945 526 S CB 1.118 64.031 63.200 -0.479 0.000 1.077 526 S HN 0.431 nan 8.310 nan 0.000 0.485 527 W N 1.797 122.776 121.300 -0.535 0.000 2.839 527 W HA 0.479 5.140 4.660 0.000 0.000 0.334 527 W C -1.936 174.107 176.519 -0.794 0.000 1.064 527 W CA -0.715 56.297 57.345 -0.555 0.000 1.236 527 W CB 1.347 30.541 29.460 -0.443 0.000 1.405 527 W HN 0.518 nan 8.180 nan 0.000 0.478 528 F N 2.680 122.553 119.950 -0.128 0.000 2.382 528 F HA 0.352 4.879 4.527 0.000 0.000 0.361 528 F C -0.345 175.364 175.800 -0.153 0.000 1.109 528 F CA -0.793 57.162 58.000 -0.075 0.000 1.031 528 F CB 0.473 39.422 39.000 -0.085 0.000 1.234 528 F HN 0.002 nan 8.300 nan 0.000 0.445 529 F N 4.737 124.742 119.950 0.092 0.000 2.404 529 F HA 0.424 4.951 4.527 0.000 0.000 0.359 529 F C 0.340 176.190 175.800 0.083 0.000 1.134 529 F CA -0.216 57.695 58.000 -0.147 0.000 1.160 529 F CB 0.255 38.854 39.000 -0.668 0.000 1.186 529 F HN 0.282 nan 8.300 nan 0.000 0.526 530 L N 2.329 123.772 121.223 0.367 0.000 2.664 530 L HA 0.357 4.697 4.340 0.000 0.000 0.253 530 L C 1.390 178.609 176.870 0.582 0.000 1.293 530 L CA -0.818 54.202 54.840 0.300 0.000 1.280 530 L CB 0.533 42.707 42.059 0.191 0.000 1.993 530 L HN 0.412 nan 8.230 nan 0.000 0.577 531 D N -0.795 119.812 120.400 0.345 0.000 2.249 531 D HA -0.119 4.521 4.640 0.000 0.000 0.205 531 D C 0.348 176.848 176.300 0.332 0.000 0.962 531 D CA 0.999 55.245 54.000 0.410 0.000 0.860 531 D CB 0.055 41.015 40.800 0.267 0.000 0.955 531 D HN 0.698 nan 8.370 nan 0.000 0.505 532 D N -0.287 120.313 120.400 0.334 0.000 2.567 532 D HA 0.394 5.034 4.640 0.000 0.000 0.268 532 D C -0.086 176.396 176.300 0.304 0.000 1.448 532 D CA -0.511 53.701 54.000 0.353 0.000 0.811 532 D CB 0.265 41.139 40.800 0.123 0.000 1.192 532 D HN 0.268 nan 8.370 nan 0.000 0.488 533 A N -0.497 122.532 122.820 0.348 0.000 2.610 533 A HA 0.708 5.028 4.320 0.000 0.000 0.291 533 A C -1.732 175.973 177.584 0.201 0.000 1.086 533 A CA -0.722 51.388 52.037 0.122 0.000 0.677 533 A CB 1.810 20.862 19.000 0.088 0.000 1.278 533 A HN 0.145 nan 8.150 nan 0.000 0.414 534 V N 0.938 120.864 119.914 0.019 0.000 2.483 534 V HA 0.471 4.591 4.120 0.000 0.000 0.297 534 V C -0.468 175.614 176.094 -0.020 0.000 1.027 534 V CA -0.609 61.660 62.300 -0.052 0.000 0.855 534 V CB 1.402 33.105 31.823 -0.200 0.000 0.995 534 V HN 0.687 nan 8.190 nan 0.000 0.424 535 V N 3.850 123.783 119.914 0.033 0.000 2.432 535 V HA 0.321 4.441 4.120 0.000 0.000 0.275 535 V C 0.015 176.084 176.094 -0.041 0.000 1.043 535 V CA -0.230 62.089 62.300 0.032 0.000 0.925 535 V CB 1.269 33.137 31.823 0.075 0.000 0.985 535 V HN 1.002 nan 8.190 nan 0.000 0.466 536 C N 6.885 126.030 119.300 -0.259 0.000 2.319 536 C HA 0.736 5.196 4.460 0.000 0.000 0.323 536 C C -0.246 174.624 174.990 -0.199 0.000 1.277 536 C CA -0.791 57.986 59.018 -0.403 0.000 1.517 536 C CB 0.475 27.721 27.740 -0.823 0.000 2.206 536 C HN 0.627 nan 8.230 nan 0.000 0.486 537 L N 2.898 123.962 121.223 -0.266 0.000 2.362 537 L HA 0.900 5.240 4.340 0.000 0.000 0.271 537 L C 0.474 176.880 176.870 -0.773 0.000 1.002 537 L CA 0.288 54.906 54.840 -0.370 0.000 0.818 537 L CB 1.766 43.743 42.059 -0.136 0.000 1.298 537 L HN 0.893 nan 8.230 nan 0.000 0.420 538 G N 0.984 108.996 108.800 -1.314 0.000 2.612 538 G HA2 0.902 4.862 3.960 0.000 0.000 0.298 538 G HA3 0.902 4.862 3.960 0.000 0.000 0.298 538 G C -1.885 172.597 174.900 -0.697 0.000 1.336 538 G CA -0.064 44.300 45.100 -1.227 0.000 0.953 538 G HN 0.870 nan 8.290 nan 0.000 0.482 539 A N -0.714 121.832 122.820 -0.456 0.000 2.586 539 A HA 0.852 5.172 4.320 0.000 0.000 0.290 539 A C 0.628 178.026 177.584 -0.310 0.000 1.086 539 A CA 0.240 52.083 52.037 -0.323 0.000 0.665 539 A CB 0.787 19.634 19.000 -0.255 0.000 1.279 539 A HN 2.635 nan 8.150 nan 0.000 0.423 540 G N -0.472 108.182 108.800 -0.244 0.000 2.249 540 G HA2 -0.175 3.785 3.960 0.000 0.000 0.273 540 G HA3 -0.175 3.785 3.960 0.000 0.000 0.273 540 G C -0.005 174.777 174.900 -0.198 0.000 1.036 540 G CA 0.561 45.525 45.100 -0.227 0.000 0.824 540 G HN 1.089 nan 8.290 nan 0.000 0.504 541 I N 1.564 122.017 120.570 -0.195 0.000 2.363 541 I HA 0.357 4.527 4.170 0.000 0.000 0.292 541 I C 0.295 176.340 176.117 -0.119 0.000 1.075 541 I CA 0.285 61.479 61.300 -0.177 0.000 1.333 541 I CB 1.003 38.829 38.000 -0.290 0.000 1.415 541 I HN 0.047 nan 8.210 nan 0.000 0.502 542 T N 5.137 119.644 114.554 -0.078 0.000 2.928 542 T HA 0.402 4.753 4.350 0.000 0.000 0.296 542 T C -1.171 173.513 174.700 -0.026 0.000 1.000 542 T CA -0.450 61.621 62.100 -0.049 0.000 0.989 542 T CB 1.644 70.483 68.868 -0.050 0.000 1.005 542 T HN 0.620 nan 8.240 nan 0.000 0.442 543 C N 2.231 121.522 119.300 -0.015 0.000 2.985 543 C HA 0.819 5.279 4.460 0.000 0.000 0.314 543 C C 0.240 175.227 174.990 -0.006 0.000 1.215 543 C CA -0.285 58.730 59.018 -0.006 0.000 1.414 543 C CB 0.756 28.497 27.740 0.002 0.000 1.842 543 C HN 1.047 nan 8.230 nan 0.000 0.477 544 A N 2.479 125.295 122.820 -0.006 0.000 2.631 544 A HA 0.301 4.621 4.320 0.000 0.000 0.294 544 A C 0.699 178.277 177.584 -0.010 0.000 1.156 544 A CA 0.130 52.162 52.037 -0.007 0.000 0.963 544 A CB -0.208 18.787 19.000 -0.007 0.000 1.202 544 A HN 0.848 nan 8.150 nan 0.000 0.523 545 D N 0.150 120.543 120.400 -0.011 0.000 2.347 545 D HA 0.135 4.775 4.640 0.000 0.000 0.215 545 D C 1.631 177.919 176.300 -0.020 0.000 0.976 545 D CA 1.605 55.594 54.000 -0.018 0.000 0.884 545 D CB 0.162 40.950 40.800 -0.021 0.000 0.915 545 D HN 0.714 nan 8.370 nan 0.000 0.526 546 G N 0.105 108.896 108.800 -0.016 0.000 2.159 546 G HA2 -0.227 3.733 3.960 0.000 0.000 0.256 546 G HA3 -0.227 3.733 3.960 0.000 0.000 0.256 546 G C 0.410 175.298 174.900 -0.021 0.000 0.977 546 G CA 0.664 45.753 45.100 -0.018 0.000 0.652 546 G HN 0.508 nan 8.290 nan 0.000 0.531 547 V N -4.133 115.768 119.914 -0.021 0.000 3.102 547 V HA 0.935 5.055 4.120 0.000 0.000 0.312 547 V C -2.567 173.518 176.094 -0.014 0.000 1.135 547 V CA -2.863 59.420 62.300 -0.028 0.000 1.022 547 V CB 1.949 33.742 31.823 -0.049 0.000 1.056 547 V HN 0.002 nan 8.190 nan 0.000 0.436 548 P HA 0.317 nan 4.420 nan 0.000 0.269 548 P C -0.805 176.505 177.300 0.017 0.000 1.215 548 P CA 0.026 63.131 63.100 0.009 0.000 0.780 548 P CB 0.706 32.408 31.700 0.003 0.000 0.898 549 V N 2.785 122.739 119.914 0.067 0.000 2.513 549 V HA 0.341 4.461 4.120 0.000 0.000 0.299 549 V C 0.183 176.374 176.094 0.162 0.000 1.035 549 V CA -0.317 62.047 62.300 0.108 0.000 0.889 549 V CB 1.480 33.382 31.823 0.132 0.000 0.988 549 V HN 0.511 nan 8.190 nan 0.000 0.440 550 E N 1.564 121.838 120.200 0.123 0.000 2.312 550 E HA 0.584 4.934 4.350 0.000 0.000 0.267 550 E C -1.141 175.528 176.600 0.116 0.000 0.894 550 E CA -0.699 55.744 56.400 0.071 0.000 0.773 550 E CB 2.458 32.147 29.700 -0.018 0.000 1.241 550 E HN 0.601 nan 8.360 nan 0.000 0.432 551 T N 1.247 115.817 114.554 0.027 0.000 2.779 551 T HA 0.277 4.627 4.350 0.000 0.000 0.280 551 T C -0.563 174.102 174.700 -0.059 0.000 0.987 551 T CA -0.557 61.543 62.100 0.000 0.000 0.966 551 T CB 0.953 69.770 68.868 -0.085 0.000 0.933 551 T HN 0.098 nan 8.240 nan 0.000 0.442 552 V N 5.307 125.205 119.914 -0.027 0.000 2.320 552 V HA 0.109 4.229 4.120 0.000 0.000 0.265 552 V C 1.439 177.463 176.094 -0.116 0.000 1.048 552 V CA -0.176 62.109 62.300 -0.026 0.000 0.865 552 V CB 0.773 32.603 31.823 0.011 0.000 1.043 552 V HN 0.833 nan 8.190 nan 0.000 0.474 553 V N 2.874 122.604 119.914 -0.308 0.000 2.358 553 V HA -0.044 4.076 4.120 0.000 0.000 0.246 553 V C 0.817 176.710 176.094 -0.335 0.000 1.047 553 V CA 1.832 63.747 62.300 -0.642 0.000 1.035 553 V CB -0.229 31.128 31.823 -0.775 0.000 0.658 553 V HN 0.966 nan 8.190 nan 0.000 0.452 554 D N -2.227 118.001 120.400 -0.287 0.000 2.710 554 D HA 0.274 4.914 4.640 0.000 0.000 0.276 554 D C -1.756 174.507 176.300 -0.063 0.000 1.267 554 D CA -0.491 53.470 54.000 -0.064 0.000 0.772 554 D CB 1.748 42.571 40.800 0.038 0.000 1.299 554 D HN 0.056 nan 8.370 nan 0.000 0.421 555 N N 1.078 119.808 118.700 0.049 0.000 2.599 555 N HA 0.262 5.003 4.740 0.000 0.000 0.283 555 N C -1.620 173.992 175.510 0.170 0.000 1.160 555 N CA -0.393 52.710 53.050 0.087 0.000 0.869 555 N CB 1.195 39.712 38.487 0.051 0.000 1.448 555 N HN 0.171 nan 8.380 nan 0.000 0.535 556 R N 1.853 122.396 120.500 0.073 0.000 2.387 556 R HA 0.346 4.686 4.340 0.000 0.000 0.314 556 R C -0.286 175.759 176.300 -0.426 0.000 0.958 556 R CA -0.822 55.198 56.100 -0.133 0.000 0.846 556 R CB 0.789 30.962 30.300 -0.212 0.000 1.147 556 R HN 0.560 nan 8.270 nan 0.000 0.447 557 N N 2.918 121.128 118.700 -0.816 0.000 2.475 557 N HA 0.047 4.787 4.740 0.000 0.000 0.267 557 N C 0.337 175.460 175.510 -0.644 0.000 1.169 557 N CA 0.073 52.318 53.050 -1.342 0.000 0.947 557 N CB 0.663 38.419 38.487 -1.219 0.000 1.061 557 N HN 0.600 nan 8.380 nan 0.000 0.466 558 L N 2.327 123.185 121.223 -0.609 0.000 2.640 558 L HA 0.379 4.719 4.340 0.000 0.000 0.230 558 L C 1.228 177.971 176.870 -0.212 0.000 1.123 558 L CA 0.014 54.676 54.840 -0.295 0.000 0.900 558 L CB -0.834 41.076 42.059 -0.247 0.000 1.146 558 L HN 0.844 nan 8.230 nan 0.000 0.484 559 G N 1.295 109.925 108.800 -0.283 0.000 2.796 559 G HA2 -0.265 3.695 3.960 0.000 0.000 0.571 559 G HA3 -0.265 3.695 3.960 0.000 0.000 0.571 559 G C -0.384 174.418 174.900 -0.163 0.000 1.370 559 G CA -0.578 44.417 45.100 -0.176 0.000 0.856 559 G HN 0.260 nan 8.290 nan 0.000 0.538 560 E N 0.725 120.853 120.200 -0.120 0.000 2.366 560 E HA 0.418 4.768 4.350 0.000 0.000 0.266 560 E C 1.381 177.932 176.600 -0.082 0.000 1.015 560 E CA 0.774 57.109 56.400 -0.107 0.000 0.906 560 E CB -0.216 29.423 29.700 -0.103 0.000 0.979 560 E HN 2.373 nan 8.360 nan 0.000 0.443 561 G N 3.484 112.239 108.800 -0.074 0.000 2.249 561 G HA2 -0.268 3.692 3.960 0.000 0.000 0.273 561 G HA3 -0.268 3.692 3.960 0.000 0.000 0.273 561 G C 0.470 175.340 174.900 -0.050 0.000 1.036 561 G CA 0.039 45.106 45.100 -0.053 0.000 0.824 561 G HN 0.812 nan 8.290 nan 0.000 0.504 562 G N -0.640 108.120 108.800 -0.067 0.000 2.432 562 G HA2 0.517 4.477 3.960 0.000 0.000 0.239 562 G HA3 0.517 4.477 3.960 0.000 0.000 0.239 562 G C 0.950 175.828 174.900 -0.036 0.000 1.291 562 G CA 0.876 45.942 45.100 -0.056 0.000 0.863 562 G HN 1.344 nan 8.290 nan 0.000 0.560 563 T N -0.869 113.676 114.554 -0.015 0.000 3.252 563 T HA 0.235 4.585 4.350 0.000 0.000 0.286 563 T C 0.426 175.133 174.700 0.011 0.000 1.013 563 T CA -0.435 61.663 62.100 -0.005 0.000 0.914 563 T CB 0.179 69.048 68.868 0.001 0.000 1.131 563 T HN 0.427 nan 8.240 nan 0.000 0.529 564 Q N 2.173 121.981 119.800 0.014 0.000 2.283 564 Q HA 0.502 4.842 4.340 0.000 0.000 0.301 564 Q C 0.302 176.328 176.000 0.042 0.000 1.063 564 Q CA 0.233 56.061 55.803 0.043 0.000 0.952 564 Q CB 0.176 28.945 28.738 0.051 0.000 1.166 564 Q HN 0.627 nan 8.270 nan 0.000 0.381 565 A N 2.851 125.715 122.820 0.073 0.000 2.401 565 A HA 0.408 4.728 4.320 0.000 0.000 0.259 565 A C -0.758 176.888 177.584 0.103 0.000 1.103 565 A CA -0.485 51.599 52.037 0.078 0.000 0.789 565 A CB 0.214 19.269 19.000 0.092 0.000 1.035 565 A HN 0.649 nan 8.150 nan 0.000 0.491 566 L N 4.019 125.288 121.223 0.078 0.000 2.272 566 L HA 0.631 4.971 4.340 0.000 0.000 0.289 566 L C -0.756 176.167 176.870 0.087 0.000 1.032 566 L CA -0.061 54.839 54.840 0.100 0.000 0.810 566 L CB 1.508 43.595 42.059 0.047 0.000 1.205 566 L HN 0.409 nan 8.230 nan 0.000 0.422 567 V N 5.870 125.872 119.914 0.146 0.000 2.604 567 V HA 0.588 4.708 4.120 0.000 0.000 0.305 567 V C -0.209 175.846 176.094 -0.065 0.000 1.043 567 V CA -0.670 61.669 62.300 0.066 0.000 0.888 567 V CB 1.976 33.899 31.823 0.166 0.000 0.995 567 V HN 0.665 nan 8.190 nan 0.000 0.429 568 R N 2.737 123.054 120.500 -0.305 0.000 2.407 568 R HA 0.478 4.818 4.340 0.000 0.000 0.298 568 R C 0.467 176.228 176.300 -0.898 0.000 1.166 568 R CA -0.320 55.438 56.100 -0.569 0.000 1.006 568 R CB 1.740 31.816 30.300 -0.374 0.000 1.145 568 R HN 0.935 nan 8.270 nan 0.000 0.538 569 G N 1.565 109.205 108.800 -1.934 0.000 2.479 569 G HA2 0.303 4.263 3.960 0.000 0.000 0.275 569 G HA3 0.303 4.263 3.960 0.000 0.000 0.275 569 G C -0.104 174.073 174.900 -1.206 0.000 1.421 569 G CA -0.046 43.939 45.100 -1.859 0.000 1.059 569 G HN 0.461 nan 8.290 nan 0.000 0.535 570 R N -3.725 116.439 120.500 -0.560 0.000 0.000 570 R HA 0.292 4.632 4.340 0.000 0.000 0.000 570 R C -1.056 nan 176.300 nan 0.000 0.000 570 R CA -0.758 55.292 56.100 -0.082 0.000 0.000 570 R CB 0.794 31.183 30.300 0.147 0.000 0.000 570 R HN 0.817 nan 8.270 nan 0.000 0.000 571 H N -0.769 118.307 119.070 0.011 0.000 0.000 571 H HA 0.048 4.604 4.556 0.000 0.000 0.000 571 H C -0.973 174.535 175.328 0.300 0.000 0.000 571 H CA -0.151 55.979 56.048 0.136 0.000 0.000 571 H CB 0.189 29.991 29.762 0.068 0.000 0.000 571 H HN 0.560 nan 8.280 nan 0.000 0.000 572 W N 1.298 122.568 121.300 -0.050 0.000 3.032 572 W HA 0.840 5.500 4.660 0.000 0.000 0.341 572 W C -1.641 174.893 176.519 0.025 0.000 1.202 572 W CA -1.107 56.262 57.345 0.039 0.000 1.132 572 W CB 1.658 31.160 29.460 0.070 0.000 1.465 572 W HN 0.038 nan 8.180 nan 0.000 0.576 573 A N 1.418 124.559 122.820 0.535 0.000 2.572 573 A HA 0.616 4.936 4.320 0.000 0.000 0.295 573 A C -2.089 175.932 177.584 0.728 0.000 1.072 573 A CA -0.586 51.711 52.037 0.433 0.000 0.691 573 A CB 2.175 21.344 19.000 0.281 0.000 1.291 573 A HN 0.877 nan 8.150 nan 0.000 0.404 574 H N 1.486 120.853 119.070 0.496 0.000 2.759 574 H HA 0.567 5.123 4.556 0.000 0.000 0.354 574 H C -2.253 173.264 175.328 0.316 0.000 1.074 574 H CA -0.503 55.760 56.048 0.359 0.000 1.226 574 H CB 1.709 31.679 29.762 0.346 0.000 1.648 574 H HN 0.582 nan 8.280 nan 0.000 0.529 575 L N 5.349 126.504 121.223 -0.113 0.000 2.295 575 L HA 0.255 4.595 4.340 0.000 0.000 0.281 575 L C 0.252 177.066 176.870 -0.093 0.000 1.018 575 L CA -0.309 54.556 54.840 0.041 0.000 0.841 575 L CB 1.045 43.251 42.059 0.244 0.000 1.218 575 L HN 0.692 nan 8.230 nan 0.000 0.424 576 E N 3.987 124.236 120.200 0.081 0.000 2.765 576 E HA 0.164 4.514 4.350 0.000 0.000 0.256 576 E C 1.085 177.819 176.600 0.224 0.000 0.935 576 E CA 1.282 57.782 56.400 0.167 0.000 0.954 576 E CB 0.251 30.055 29.700 0.173 0.000 0.908 576 E HN 0.991 nan 8.360 nan 0.000 0.500 577 G N 3.906 112.817 108.800 0.185 0.000 2.199 577 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 577 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 577 G C 0.426 175.358 174.900 0.054 0.000 0.982 577 G CA 0.720 45.905 45.100 0.142 0.000 0.632 577 G HN 0.741 nan 8.290 nan 0.000 0.529 578 H N -0.826 118.276 119.070 0.052 0.000 2.269 578 H HA 0.553 5.109 4.556 0.000 0.000 0.216 578 H C 1.443 176.847 175.328 0.127 0.000 0.985 578 H CA 1.613 57.766 56.048 0.175 0.000 1.274 578 H CB 0.569 30.441 29.762 0.184 0.000 1.283 578 H HN 1.228 nan 8.280 nan 0.000 0.491 579 G N -1.491 107.261 108.800 -0.080 0.000 2.351 579 G HA2 0.429 4.389 3.960 0.000 0.000 0.279 579 G HA3 0.429 4.389 3.960 0.000 0.000 0.279 579 G C -0.863 173.543 174.900 -0.824 0.000 1.297 579 G CA -0.204 44.641 45.100 -0.424 0.000 0.886 579 G HN 0.666 nan 8.290 nan 0.000 0.493 580 G N -1.850 106.422 108.800 -0.881 0.000 2.866 580 G HA2 0.705 4.665 3.960 0.000 0.000 0.289 580 G HA3 0.705 4.665 3.960 0.000 0.000 0.289 580 G C -1.718 172.682 174.900 -0.832 0.000 1.396 580 G CA -0.608 44.013 45.100 -0.798 0.000 0.848 580 G HN 0.737 nan 8.290 nan 0.000 0.515 581 W N -0.209 121.192 121.300 0.168 0.000 3.129 581 W HA 0.523 5.183 4.660 0.000 0.000 0.333 581 W C -1.309 175.346 176.519 0.226 0.000 1.141 581 W CA -0.702 56.753 57.345 0.183 0.000 1.224 581 W CB 2.143 31.692 29.460 0.148 0.000 1.393 581 W HN 0.249 nan 8.180 nan 0.000 0.499 582 I N 3.028 123.858 120.570 0.433 0.000 2.389 582 I HA 0.330 4.500 4.170 0.000 0.000 0.288 582 I C -0.359 175.992 176.117 0.390 0.000 0.999 582 I CA -0.921 60.606 61.300 0.380 0.000 1.129 582 I CB 1.924 40.095 38.000 0.284 0.000 1.288 582 I HN 0.035 nan 8.210 nan 0.000 0.444 583 V N 8.996 129.119 119.914 0.348 0.000 2.385 583 V HA 0.547 4.667 4.120 0.000 0.000 0.277 583 V C -2.503 173.748 176.094 0.261 0.000 1.012 583 V CA -1.882 60.602 62.300 0.306 0.000 0.832 583 V CB 1.664 33.633 31.823 0.243 0.000 1.028 583 V HN 0.467 nan 8.190 nan 0.000 0.436 584 P HA 0.392 nan 4.420 nan 0.000 0.277 584 P C 0.850 178.211 177.300 0.101 0.000 1.240 584 P CA 1.299 64.497 63.100 0.163 0.000 0.798 584 P CB 1.506 33.287 31.700 0.136 0.000 0.979 585 G N 0.608 109.435 108.800 0.045 0.000 2.162 585 G HA2 -0.061 3.899 3.960 0.000 0.000 0.260 585 G HA3 -0.061 3.899 3.960 0.000 0.000 0.260 585 G C 0.651 175.519 174.900 -0.055 0.000 0.976 585 G CA 0.511 45.609 45.100 -0.003 0.000 0.655 585 G HN 0.990 nan 8.290 nan 0.000 0.533 586 G N 0.111 108.856 108.800 -0.092 0.000 2.601 586 G HA2 0.364 4.324 3.960 0.000 0.000 0.261 586 G HA3 0.364 4.324 3.960 0.000 0.000 0.261 586 G C 1.063 175.895 174.900 -0.113 0.000 1.289 586 G CA 2.464 47.396 45.100 -0.280 0.000 0.920 586 G HN 2.483 nan 8.290 nan 0.000 0.571 587 A N -2.852 119.879 122.820 -0.149 0.000 2.979 587 A HA 0.022 4.342 4.320 0.000 0.000 0.260 587 A C 1.034 178.515 177.584 -0.171 0.000 1.282 587 A CA 1.781 53.738 52.037 -0.132 0.000 0.971 587 A CB -1.812 17.123 19.000 -0.108 0.000 1.124 587 A HN 2.474 nan 8.150 nan 0.000 0.826 588 L N 0.997 122.158 121.223 -0.103 0.000 2.455 588 L HA 0.455 4.795 4.340 0.000 0.000 0.272 588 L C 0.741 177.376 176.870 -0.392 0.000 1.174 588 L CA 0.762 55.475 54.840 -0.212 0.000 0.869 588 L CB 0.206 42.210 42.059 -0.092 0.000 1.130 588 L HN 0.381 nan 8.230 nan 0.000 0.474 589 R N 2.826 122.892 120.500 -0.724 0.000 2.732 589 R HA 0.752 5.092 4.340 0.000 0.000 0.278 589 R C -0.717 175.033 176.300 -0.918 0.000 0.976 589 R CA -0.548 54.948 56.100 -1.008 0.000 0.963 589 R CB 1.836 31.024 30.300 -1.854 0.000 1.150 589 R HN 0.775 nan 8.270 nan 0.000 0.478 590 T N -0.705 113.494 114.554 -0.591 0.000 2.916 590 T HA 0.639 4.989 4.350 0.000 0.000 0.305 590 T C -1.131 173.576 174.700 0.013 0.000 1.119 590 T CA -0.906 61.060 62.100 -0.224 0.000 1.008 590 T CB 1.663 70.420 68.868 -0.185 0.000 1.129 590 T HN 0.362 nan 8.240 nan 0.000 0.480 591 L N 0.777 122.101 121.223 0.169 0.000 2.482 591 L HA 0.770 5.110 4.340 0.000 0.000 0.263 591 L C -0.969 175.944 176.870 0.072 0.000 0.957 591 L CA -0.715 54.217 54.840 0.154 0.000 0.836 591 L CB 2.265 44.482 42.059 0.263 0.000 1.324 591 L HN 0.980 nan 8.230 nan 0.000 0.406 592 R N 3.602 124.124 120.500 0.036 0.000 2.437 592 R HA 0.762 5.102 4.340 0.000 0.000 0.310 592 R C -1.399 174.917 176.300 0.027 0.000 0.955 592 R CA -0.216 55.900 56.100 0.026 0.000 0.851 592 R CB 1.310 31.611 30.300 0.001 0.000 1.161 592 R HN 0.876 nan 8.270 nan 0.000 0.446 593 E N 2.384 122.613 120.200 0.048 0.000 2.407 593 E HA 0.255 4.605 4.350 0.000 0.000 0.279 593 E C -1.635 175.010 176.600 0.075 0.000 1.012 593 E CA -1.075 55.344 56.400 0.033 0.000 0.800 593 E CB 1.448 31.147 29.700 -0.002 0.000 1.276 593 E HN 0.314 nan 8.360 nan 0.000 0.452 594 D N 1.072 121.499 120.400 0.045 0.000 2.210 594 D HA 0.408 5.048 4.640 0.000 0.000 0.249 594 D C -0.649 175.683 176.300 0.053 0.000 1.078 594 D CA -0.261 53.775 54.000 0.060 0.000 0.875 594 D CB 1.170 41.978 40.800 0.013 0.000 1.175 594 D HN 0.296 nan 8.370 nan 0.000 0.440 595 R N 0.749 121.308 120.500 0.098 0.000 2.673 595 R HA 0.525 4.865 4.340 0.000 0.000 0.281 595 R C -0.729 175.592 176.300 0.036 0.000 0.991 595 R CA -0.753 55.358 56.100 0.019 0.000 0.896 595 R CB 2.190 32.433 30.300 -0.095 0.000 1.201 595 R HN 0.232 nan 8.270 nan 0.000 0.457 596 T N 0.652 115.209 114.554 0.005 0.000 2.856 596 T HA 0.777 5.127 4.350 0.000 0.000 0.283 596 T C -0.255 174.461 174.700 0.027 0.000 1.008 596 T CA -0.651 61.455 62.100 0.008 0.000 0.997 596 T CB 1.982 70.847 68.868 -0.004 0.000 0.992 596 T HN 0.799 nan 8.240 nan 0.000 0.454 597 G N 0.369 109.204 108.800 0.058 0.000 2.548 597 G HA2 0.733 4.693 3.960 0.000 0.000 0.301 597 G HA3 0.733 4.693 3.960 0.000 0.000 0.301 597 G C -2.075 172.929 174.900 0.174 0.000 1.349 597 G CA -0.293 44.862 45.100 0.092 0.000 0.792 597 G HN 0.936 nan 8.290 nan 0.000 0.481 598 A N -1.560 121.368 122.820 0.180 0.000 2.539 598 A HA 0.638 4.958 4.320 0.000 0.000 0.296 598 A C -0.000 177.693 177.584 0.183 0.000 1.073 598 A CA -0.619 51.593 52.037 0.292 0.000 0.700 598 A CB 0.735 19.900 19.000 0.275 0.000 1.296 598 A HN 0.860 nan 8.150 nan 0.000 0.405 599 W N 1.057 122.474 121.300 0.196 0.000 2.350 599 W HA -0.200 4.460 4.660 0.000 0.000 0.289 599 W C 2.564 179.138 176.519 0.092 0.000 1.215 599 W CA 2.072 59.464 57.345 0.078 0.000 1.236 599 W CB -0.133 29.304 29.460 -0.039 0.000 1.130 599 W HN 0.857 nan 8.180 nan 0.000 0.541 600 S N -0.158 115.731 115.700 0.315 0.000 2.419 600 S HA -0.233 4.237 4.470 0.000 0.000 0.235 600 S C 1.311 175.995 174.600 0.141 0.000 1.019 600 S CA 1.655 59.974 58.200 0.199 0.000 0.982 600 S CB -0.613 62.688 63.200 0.169 0.000 0.789 600 S HN 0.222 nan 8.310 nan 0.000 0.490 601 D N 2.155 122.639 120.400 0.140 0.000 2.263 601 D HA -0.032 4.608 4.640 0.000 0.000 0.208 601 D C 1.564 177.894 176.300 0.050 0.000 0.971 601 D CA 1.368 55.423 54.000 0.091 0.000 0.867 601 D CB -0.259 40.602 40.800 0.102 0.000 0.929 601 D HN 0.842 nan 8.370 nan 0.000 0.492 602 I N -4.107 116.516 120.570 0.088 0.000 4.102 602 I HA 0.317 4.487 4.170 0.000 0.000 0.325 602 I C -0.231 175.902 176.117 0.026 0.000 1.471 602 I CA -0.473 60.830 61.300 0.006 0.000 1.133 602 I CB 0.491 38.541 38.000 0.083 0.000 1.184 602 I HN -0.284 nan 8.210 nan 0.000 0.451 603 N N 1.666 120.407 118.700 0.068 0.000 2.648 603 N HA 0.056 4.796 4.740 0.000 0.000 0.272 603 N C 0.641 176.184 175.510 0.055 0.000 1.118 603 N CA 0.491 53.574 53.050 0.054 0.000 0.973 603 N CB 1.897 40.442 38.487 0.096 0.000 1.565 603 N HN 0.207 nan 8.380 nan 0.000 0.542 604 T N -1.298 113.271 114.554 0.024 0.000 2.929 604 T HA -0.142 4.208 4.350 0.000 0.000 0.271 604 T C 1.458 176.180 174.700 0.037 0.000 1.085 604 T CA 1.961 64.078 62.100 0.028 0.000 1.125 604 T CB -0.395 68.481 68.868 0.012 0.000 0.874 604 T HN 0.546 nan 8.240 nan 0.000 0.494 605 T N -1.209 113.366 114.554 0.034 0.000 3.122 605 T HA 0.386 4.736 4.350 0.000 0.000 0.250 605 T C 0.510 175.235 174.700 0.040 0.000 1.067 605 T CA -0.575 61.544 62.100 0.031 0.000 0.966 605 T CB -0.116 68.761 68.868 0.014 0.000 1.002 605 T HN 0.258 nan 8.240 nan 0.000 0.542 606 S N 1.896 117.639 115.700 0.072 0.000 2.664 606 S HA 0.623 5.093 4.470 0.000 0.000 0.304 606 S C 0.381 175.073 174.600 0.154 0.000 1.099 606 S CA -0.743 57.518 58.200 0.102 0.000 1.003 606 S CB 1.681 64.973 63.200 0.153 0.000 1.092 606 S HN 0.696 nan 8.310 nan 0.000 0.525 607 T N -1.005 113.667 114.554 0.198 0.000 2.748 607 T HA 0.199 4.549 4.350 0.000 0.000 0.304 607 T C 1.193 176.053 174.700 0.266 0.000 1.041 607 T CA 0.196 62.426 62.100 0.218 0.000 1.033 607 T CB 0.315 69.330 68.868 0.245 0.000 0.995 607 T HN 0.694 nan 8.240 nan 0.000 0.536 608 T N -2.864 111.820 114.554 0.217 0.000 3.069 608 T HA 0.219 4.569 4.350 0.000 0.000 0.252 608 T C 0.493 175.332 174.700 0.230 0.000 1.053 608 T CA -0.388 61.831 62.100 0.200 0.000 0.964 608 T CB -0.305 68.640 68.868 0.129 0.000 1.005 608 T HN 0.811 nan 8.240 nan 0.000 0.532 609 E N 1.615 121.988 120.200 0.289 0.000 2.481 609 E HA 0.059 4.409 4.350 0.000 0.000 0.263 609 E C -0.347 176.470 176.600 0.362 0.000 0.992 609 E CA 0.045 56.624 56.400 0.299 0.000 0.938 609 E CB 0.508 30.441 29.700 0.389 0.000 0.933 609 E HN 0.407 nan 8.360 nan 0.000 0.453 610 R N 2.962 123.558 120.500 0.159 0.000 2.664 610 R HA 0.490 4.830 4.340 0.000 0.000 0.286 610 R C -0.366 175.807 176.300 -0.212 0.000 0.967 610 R CA -0.884 55.252 56.100 0.060 0.000 0.933 610 R CB 1.490 31.809 30.300 0.031 0.000 1.146 610 R HN 0.438 nan 8.270 nan 0.000 0.468 611 R N 0.481 120.774 120.500 -0.344 0.000 2.837 611 R HA 0.446 4.786 4.340 0.000 0.000 0.271 611 R C -0.880 175.279 176.300 -0.235 0.000 0.993 611 R CA -0.797 54.998 56.100 -0.509 0.000 0.931 611 R CB 2.398 32.010 30.300 -1.146 0.000 1.206 611 R HN 0.537 nan 8.270 nan 0.000 0.474 612 T N 2.453 116.888 114.554 -0.198 0.000 2.794 612 T HA 0.545 4.895 4.350 0.000 0.000 0.280 612 T C -0.236 174.410 174.700 -0.089 0.000 0.987 612 T CA -0.739 61.304 62.100 -0.094 0.000 0.993 612 T CB 1.233 70.058 68.868 -0.071 0.000 0.939 612 T HN 0.064 nan 8.240 nan 0.000 0.449 613 R N 1.848 122.341 120.500 -0.013 0.000 2.744 613 R HA 0.505 4.845 4.340 0.000 0.000 0.279 613 R C -0.426 175.848 176.300 -0.043 0.000 0.977 613 R CA -0.928 55.125 56.100 -0.079 0.000 0.906 613 R CB 2.441 32.666 30.300 -0.126 0.000 1.197 613 R HN 0.550 nan 8.270 nan 0.000 0.463 614 R N 0.986 121.379 120.500 -0.179 0.000 2.486 614 R HA 0.421 4.761 4.340 0.000 0.000 0.286 614 R C -0.989 175.111 176.300 -0.333 0.000 0.999 614 R CA -0.190 55.845 56.100 -0.109 0.000 0.993 614 R CB 0.936 31.175 30.300 -0.102 0.000 1.084 614 R HN 0.481 nan 8.270 nan 0.000 0.487 615 W N 1.578 122.786 121.300 -0.153 0.000 2.915 615 W HA 0.287 4.947 4.660 0.000 0.000 0.337 615 W C -0.777 175.646 176.519 -0.160 0.000 1.102 615 W CA -0.502 56.730 57.345 -0.188 0.000 1.224 615 W CB 2.010 31.335 29.460 -0.225 0.000 1.416 615 W HN 0.369 nan 8.180 nan 0.000 0.503 616 Q N 1.947 121.779 119.800 0.053 0.000 2.327 616 Q HA 0.604 4.944 4.340 0.000 0.000 0.270 616 Q C -0.980 175.016 176.000 -0.006 0.000 1.022 616 Q CA -0.085 55.711 55.803 -0.011 0.000 0.773 616 Q CB 1.516 30.194 28.738 -0.099 0.000 1.251 616 Q HN 0.359 nan 8.270 nan 0.000 0.457 617 T N 4.500 119.060 114.554 0.011 0.000 2.841 617 T HA 0.728 5.078 4.350 0.000 0.000 0.283 617 T C -1.108 173.633 174.700 0.067 0.000 1.000 617 T CA -0.492 61.621 62.100 0.022 0.000 0.977 617 T CB 0.686 69.556 68.868 0.004 0.000 0.979 617 T HN 0.466 nan 8.240 nan 0.000 0.446 618 L N 3.289 124.503 121.223 -0.015 0.000 2.408 618 L HA 0.869 5.209 4.340 0.000 0.000 0.268 618 L C -0.904 175.998 176.870 0.054 0.000 0.986 618 L CA -0.551 54.222 54.840 -0.112 0.000 0.820 618 L CB 1.667 43.417 42.059 -0.515 0.000 1.303 618 L HN 0.937 nan 8.230 nan 0.000 0.411 619 W N 2.103 123.228 121.300 -0.290 0.000 3.005 619 W HA 0.813 5.473 4.660 0.000 0.000 0.343 619 W C -2.543 173.817 176.519 -0.264 0.000 1.243 619 W CA -1.036 56.140 57.345 -0.282 0.000 1.186 619 W CB 0.919 30.246 29.460 -0.222 0.000 1.453 619 W HN 0.279 nan 8.180 nan 0.000 0.575 620 L N 2.360 123.489 121.223 -0.157 0.000 2.346 620 L HA 0.364 4.704 4.340 0.000 0.000 0.276 620 L C -0.904 175.811 176.870 -0.258 0.000 1.006 620 L CA -0.769 53.887 54.840 -0.308 0.000 0.817 620 L CB 1.685 43.551 42.059 -0.322 0.000 1.272 620 L HN 0.470 nan 8.230 nan 0.000 0.421 621 D N 1.303 121.553 120.400 -0.251 0.000 2.414 621 D HA 0.181 4.821 4.640 0.000 0.000 0.232 621 D C 0.494 176.690 176.300 -0.172 0.000 1.070 621 D CA -0.271 53.670 54.000 -0.099 0.000 0.839 621 D CB 0.851 41.669 40.800 0.030 0.000 1.079 621 D HN 0.427 nan 8.370 nan 0.000 0.521 622 H N 2.815 121.928 119.070 0.072 0.000 2.539 622 H HA 0.283 4.839 4.556 0.000 0.000 0.267 622 H C 1.330 176.679 175.328 0.034 0.000 0.982 622 H CA 0.694 56.774 56.048 0.053 0.000 1.146 622 H CB 0.319 30.119 29.762 0.063 0.000 1.382 622 H HN 0.692 nan 8.280 nan 0.000 0.577 623 G N 0.542 109.403 108.800 0.102 0.000 2.728 623 G HA2 -0.233 3.727 3.960 0.000 0.000 0.294 623 G HA3 -0.233 3.727 3.960 0.000 0.000 0.294 623 G C -0.421 174.514 174.900 0.060 0.000 1.342 623 G CA -0.335 44.804 45.100 0.064 0.000 0.866 623 G HN 0.255 nan 8.290 nan 0.000 0.534 624 T N 1.069 115.643 114.554 0.033 0.000 2.837 624 T HA 0.523 4.873 4.350 0.000 0.000 0.285 624 T C 0.020 174.731 174.700 0.019 0.000 0.984 624 T CA 0.799 62.911 62.100 0.020 0.000 1.049 624 T CB 1.044 69.915 68.868 0.005 0.000 0.947 624 T HN 0.938 nan 8.240 nan 0.000 0.472 625 D N 2.066 122.474 120.400 0.014 0.000 2.735 625 D HA -0.104 4.536 4.640 0.000 0.000 0.235 625 D C -2.161 174.145 176.300 0.010 0.000 1.175 625 D CA 0.161 54.165 54.000 0.008 0.000 0.683 625 D CB -0.887 39.913 40.800 0.000 0.000 1.008 625 D HN 0.377 nan 8.370 nan 0.000 0.416 626 P HA 0.325 nan 4.420 nan 0.000 0.269 626 P C -0.725 176.568 177.300 -0.013 0.000 1.215 626 P CA -0.217 62.890 63.100 0.012 0.000 0.780 626 P CB 1.045 32.754 31.700 0.014 0.000 0.898 627 A N 1.306 124.114 122.820 -0.020 0.000 2.410 627 A HA 0.580 4.900 4.320 0.000 0.000 0.289 627 A C 0.773 178.330 177.584 -0.045 0.000 1.200 627 A CA -0.122 51.897 52.037 -0.031 0.000 0.751 627 A CB 0.041 19.029 19.000 -0.020 0.000 1.161 627 A HN 0.802 nan 8.150 nan 0.000 0.459 628 G N 1.193 109.953 108.800 -0.068 0.000 2.305 628 G HA2 0.149 4.109 3.960 0.000 0.000 0.287 628 G HA3 0.149 4.109 3.960 0.000 0.000 0.287 628 G C 0.632 175.477 174.900 -0.092 0.000 1.036 628 G CA 0.652 45.699 45.100 -0.089 0.000 0.887 628 G HN 2.088 nan 8.290 nan 0.000 0.505 629 A N -0.400 122.357 122.820 -0.105 0.000 2.327 629 A HA 0.688 5.008 4.320 0.000 0.000 0.255 629 A C 0.504 177.991 177.584 -0.161 0.000 1.099 629 A CA 0.722 52.700 52.037 -0.100 0.000 0.801 629 A CB 0.517 19.455 19.000 -0.104 0.000 1.062 629 A HN 1.318 nan 8.150 nan 0.000 0.496 630 D N -2.865 117.478 120.400 -0.094 0.000 2.643 630 D HA 0.597 5.237 4.640 0.000 0.000 0.283 630 D C -0.964 175.386 176.300 0.083 0.000 1.242 630 D CA -0.383 53.541 54.000 -0.127 0.000 0.863 630 D CB 0.628 41.346 40.800 -0.137 0.000 1.382 630 D HN 0.793 nan 8.370 nan 0.000 0.444 631 Y N -2.621 117.711 120.300 0.054 0.000 2.609 631 Y HA 0.731 5.281 4.550 0.000 0.000 0.336 631 Y C -1.991 173.961 175.900 0.087 0.000 1.129 631 Y CA -1.423 56.759 58.100 0.137 0.000 1.040 631 Y CB 1.187 39.810 38.460 0.272 0.000 1.310 631 Y HN 0.326 nan 8.280 nan 0.000 0.460 632 V N 3.664 123.776 119.914 0.331 0.000 2.531 632 V HA 0.616 4.736 4.120 0.000 0.000 0.301 632 V C -1.295 175.046 176.094 0.412 0.000 1.034 632 V CA -0.771 61.682 62.300 0.254 0.000 0.865 632 V CB 1.102 32.990 31.823 0.109 0.000 0.995 632 V HN 0.916 nan 8.190 nan 0.000 0.424 633 Y N 1.316 121.792 120.300 0.294 0.000 2.571 633 Y HA 0.827 5.377 4.550 0.000 0.000 0.341 633 Y C -0.651 175.392 175.900 0.240 0.000 1.076 633 Y CA -0.958 57.291 58.100 0.248 0.000 1.029 633 Y CB 1.868 40.462 38.460 0.224 0.000 1.308 633 Y HN 0.380 nan 8.280 nan 0.000 0.461 634 T N 3.221 117.984 114.554 0.349 0.000 2.779 634 T HA 0.497 4.847 4.350 0.000 0.000 0.280 634 T C -1.198 173.698 174.700 0.326 0.000 0.987 634 T CA -0.660 61.587 62.100 0.245 0.000 0.966 634 T CB 1.394 70.439 68.868 0.295 0.000 0.933 634 T HN 0.759 nan 8.240 nan 0.000 0.442 635 V N 5.307 125.345 119.914 0.207 0.000 2.532 635 V HA 0.615 4.735 4.120 0.000 0.000 0.295 635 V C -0.590 175.312 176.094 -0.320 0.000 1.041 635 V CA -0.805 61.515 62.300 0.033 0.000 0.926 635 V CB 1.287 33.230 31.823 0.199 0.000 0.992 635 V HN 0.936 nan 8.190 nan 0.000 0.457 636 M N 8.500 127.777 119.600 -0.539 0.000 2.182 636 M HA 0.396 4.876 4.480 0.000 0.000 0.285 636 M C -2.658 173.130 176.300 -0.854 0.000 0.956 636 M CA -1.610 53.338 55.300 -0.586 0.000 0.878 636 M CB 1.471 33.850 32.600 -0.369 0.000 1.373 636 M HN 0.447 nan 8.290 nan 0.000 0.393 637 P HA 0.119 nan 4.420 nan 0.000 0.268 637 P C 0.965 177.892 177.300 -0.622 0.000 1.204 637 P CA 0.970 63.136 63.100 -1.557 0.000 0.768 637 P CB 0.717 31.216 31.700 -2.001 0.000 0.842 638 G N 1.591 110.220 108.800 -0.286 0.000 2.212 638 G HA2 -0.241 3.719 3.960 0.000 0.000 0.266 638 G HA3 -0.241 3.719 3.960 0.000 0.000 0.266 638 G C 0.499 175.393 174.900 -0.010 0.000 0.978 638 G CA 0.120 45.224 45.100 0.007 0.000 0.632 638 G HN 0.863 nan 8.290 nan 0.000 0.537 639 A N 0.344 123.100 122.820 -0.106 0.000 2.386 639 A HA 0.702 5.022 4.320 0.000 0.000 0.248 639 A C 1.091 178.736 177.584 0.101 0.000 1.082 639 A CA 1.014 53.027 52.037 -0.039 0.000 0.789 639 A CB 0.351 19.281 19.000 -0.117 0.000 1.025 639 A HN 1.976 nan 8.150 nan 0.000 0.490 640 S N 1.127 116.870 115.700 0.072 0.000 2.645 640 S HA 0.272 4.742 4.470 0.000 0.000 0.266 640 S C 1.205 175.734 174.600 -0.118 0.000 1.258 640 S CA 0.067 58.327 58.200 0.099 0.000 0.990 640 S CB 0.763 63.955 63.200 -0.013 0.000 0.967 640 S HN 0.815 nan 8.310 nan 0.000 0.556 641 R N 0.381 120.534 120.500 -0.579 0.000 2.091 641 R HA -0.134 4.206 4.340 0.000 0.000 0.238 641 R C 2.340 178.319 176.300 -0.536 0.000 1.136 641 R CA 1.614 57.040 56.100 -1.124 0.000 0.959 641 R CB -1.105 28.751 30.300 -0.740 0.000 0.856 641 R HN 0.847 nan 8.270 nan 0.000 0.437 642 A N 0.455 123.086 122.820 -0.315 0.000 1.930 642 A HA -0.057 4.264 4.320 0.000 0.000 0.217 642 A C 2.308 179.734 177.584 -0.264 0.000 1.175 642 A CA 1.539 53.430 52.037 -0.244 0.000 0.627 642 A CB -0.640 18.273 19.000 -0.145 0.000 0.815 642 A HN 0.538 nan 8.150 nan 0.000 0.443 643 A N -0.641 122.042 122.820 -0.227 0.000 1.930 643 A HA 0.018 4.338 4.320 0.000 0.000 0.217 643 A C 2.137 179.541 177.584 -0.300 0.000 1.175 643 A CA 1.559 53.466 52.037 -0.217 0.000 0.627 643 A CB -0.522 18.387 19.000 -0.153 0.000 0.815 643 A HN 0.583 nan 8.150 nan 0.000 0.443 644 L N -0.465 120.553 121.223 -0.342 0.000 2.027 644 L HA -0.017 4.323 4.340 0.000 0.000 0.206 644 L C 2.736 179.162 176.870 -0.739 0.000 1.074 644 L CA 1.899 56.479 54.840 -0.433 0.000 0.745 644 L CB -0.479 41.416 42.059 -0.274 0.000 0.898 644 L HN 0.325 nan 8.230 nan 0.000 0.433 645 A N -0.301 121.964 122.820 -0.924 0.000 1.933 645 A HA -0.217 4.103 4.320 0.000 0.000 0.218 645 A C 2.372 179.652 177.584 -0.507 0.000 1.175 645 A CA 1.808 53.234 52.037 -1.017 0.000 0.628 645 A CB -0.550 18.080 19.000 -0.616 0.000 0.814 645 A HN 0.504 nan 8.150 nan 0.000 0.444 646 R N -1.284 119.000 120.500 -0.360 0.000 2.066 646 R HA -0.100 4.240 4.340 0.000 0.000 0.232 646 R C 2.442 178.589 176.300 -0.255 0.000 1.131 646 R CA 1.499 57.456 56.100 -0.238 0.000 0.955 646 R CB -0.295 29.891 30.300 -0.190 0.000 0.851 646 R HN 0.418 nan 8.270 nan 0.000 0.432 647 R N 1.282 121.581 120.500 -0.336 0.000 2.092 647 R HA -0.031 4.309 4.340 0.000 0.000 0.231 647 R C 2.036 178.201 176.300 -0.225 0.000 1.119 647 R CA 1.620 57.486 56.100 -0.390 0.000 0.970 647 R CB -0.586 29.398 30.300 -0.526 0.000 0.864 647 R HN 0.243 nan 8.270 nan 0.000 0.440 648 A N 0.098 122.771 122.820 -0.246 0.000 1.940 648 A HA -0.058 4.262 4.320 0.000 0.000 0.219 648 A C 2.191 179.774 177.584 -0.002 0.000 1.176 648 A CA 1.718 53.696 52.037 -0.099 0.000 0.631 648 A CB -0.857 17.981 19.000 -0.271 0.000 0.814 648 A HN 0.447 nan 8.150 nan 0.000 0.446 649 A N -0.867 121.921 122.820 -0.054 0.000 2.238 649 A HA 0.145 4.465 4.320 0.000 0.000 0.208 649 A C 0.697 178.294 177.584 0.022 0.000 1.177 649 A CA 0.732 52.776 52.037 0.013 0.000 0.804 649 A CB -0.234 18.770 19.000 0.007 0.000 0.823 649 A HN 0.406 nan 8.150 nan 0.000 0.482 650 D N 0.600 121.016 120.400 0.028 0.000 2.373 650 D HA 0.233 4.873 4.640 0.000 0.000 0.227 650 D C 0.849 177.233 176.300 0.140 0.000 1.091 650 D CA -0.540 53.506 54.000 0.077 0.000 0.840 650 D CB 0.609 41.438 40.800 0.048 0.000 1.060 650 D HN 0.422 nan 8.370 nan 0.000 0.502 651 R N 2.814 123.277 120.500 -0.061 0.000 2.507 651 R HA 0.216 4.556 4.340 0.000 0.000 0.298 651 R C 0.206 176.302 176.300 -0.340 0.000 0.999 651 R CA -0.237 55.756 56.100 -0.179 0.000 1.082 651 R CB 0.154 30.297 30.300 -0.262 0.000 1.246 651 R HN 0.371 nan 8.270 nan 0.000 0.553 652 H N -0.160 118.986 119.070 0.127 0.000 2.986 652 H HA 0.021 4.577 4.556 0.000 0.000 0.267 652 H C 1.265 176.641 175.328 0.080 0.000 1.072 652 H CA -0.186 55.902 56.048 0.066 0.000 1.202 652 H CB 0.115 29.915 29.762 0.063 0.000 1.535 652 H HN 0.420 nan 8.280 nan 0.000 0.522 653 W N 1.559 122.890 121.300 0.052 0.000 2.425 653 W HA 0.089 4.749 4.660 0.000 0.000 0.277 653 W C -0.512 176.000 176.519 -0.011 0.000 1.231 653 W CA 0.199 57.556 57.345 0.020 0.000 1.248 653 W CB -0.393 29.067 29.460 0.000 0.000 1.117 653 W HN -0.038 nan 8.180 nan 0.000 0.568 654 L N 1.886 122.532 121.223 -0.961 0.000 2.410 654 L HA 0.567 4.907 4.340 0.000 0.000 0.270 654 L C -0.915 175.641 176.870 -0.523 0.000 0.983 654 L CA -0.315 53.898 54.840 -1.045 0.000 0.822 654 L CB 2.344 43.425 42.059 -1.629 0.000 1.285 654 L HN -0.216 nan 8.230 nan 0.000 0.409 655 T N 4.146 118.472 114.554 -0.380 0.000 2.792 655 T HA 0.468 4.818 4.350 0.000 0.000 0.280 655 T C -0.632 173.902 174.700 -0.275 0.000 0.990 655 T CA -0.365 61.581 62.100 -0.256 0.000 0.960 655 T CB 1.456 70.228 68.868 -0.161 0.000 0.939 655 T HN 0.364 nan 8.240 nan 0.000 0.439 656 V N 5.932 125.708 119.914 -0.230 0.000 2.397 656 V HA 0.124 4.244 4.120 0.000 0.000 0.262 656 V C 1.359 177.350 176.094 -0.171 0.000 1.047 656 V CA 0.131 62.301 62.300 -0.218 0.000 1.003 656 V CB 0.091 31.817 31.823 -0.163 0.000 1.037 656 V HN 0.863 nan 8.190 nan 0.000 0.480 657 L N 4.014 125.123 121.223 -0.190 0.000 2.179 657 L HA 0.323 4.663 4.340 0.000 0.000 0.208 657 L C 1.008 177.814 176.870 -0.108 0.000 1.096 657 L CA 1.103 55.863 54.840 -0.134 0.000 0.779 657 L CB 0.017 41.992 42.059 -0.140 0.000 0.922 657 L HN 0.763 nan 8.230 nan 0.000 0.443 658 A N -0.374 122.369 122.820 -0.128 0.000 2.566 658 A HA 0.588 4.908 4.320 0.000 0.000 0.297 658 A C -1.286 176.239 177.584 -0.100 0.000 1.059 658 A CA -0.426 51.553 52.037 -0.096 0.000 0.691 658 A CB 1.138 20.083 19.000 -0.092 0.000 1.282 658 A HN 0.027 nan 8.150 nan 0.000 0.401 659 N N 1.396 120.049 118.700 -0.079 0.000 2.722 659 N HA 0.415 5.155 4.740 0.000 0.000 0.242 659 N C -1.503 173.957 175.510 -0.083 0.000 1.398 659 N CA -0.079 52.919 53.050 -0.086 0.000 0.755 659 N CB 0.831 39.253 38.487 -0.109 0.000 1.268 659 N HN 0.846 nan 8.380 nan 0.000 0.522 660 D N -0.982 119.384 120.400 -0.056 0.000 2.744 660 D HA 0.222 4.862 4.640 0.000 0.000 0.304 660 D C 0.323 176.584 176.300 -0.065 0.000 1.179 660 D CA -0.478 53.480 54.000 -0.068 0.000 1.024 660 D CB 0.188 40.960 40.800 -0.047 0.000 1.453 660 D HN 0.075 nan 8.370 nan 0.000 0.529 661 D N -1.059 119.270 120.400 -0.120 0.000 2.363 661 D HA -0.035 4.605 4.640 0.000 0.000 0.226 661 D C 1.022 177.279 176.300 -0.071 0.000 1.020 661 D CA 0.510 54.380 54.000 -0.217 0.000 0.892 661 D CB 0.001 40.640 40.800 -0.268 0.000 0.900 661 D HN 0.366 nan 8.370 nan 0.000 0.531 662 R N -0.290 120.251 120.500 0.069 0.000 2.175 662 R HA 0.206 4.546 4.340 0.000 0.000 0.202 662 R C 0.442 176.895 176.300 0.255 0.000 1.018 662 R CA 0.261 56.457 56.100 0.161 0.000 1.029 662 R CB 0.344 30.707 30.300 0.106 0.000 0.959 662 R HN 0.097 nan 8.270 nan 0.000 0.480 663 R N 0.674 121.290 120.500 0.193 0.000 2.664 663 R HA 0.257 4.597 4.340 0.000 0.000 0.260 663 R C -1.970 174.301 176.300 -0.047 0.000 1.062 663 R CA -0.602 55.498 56.100 0.001 0.000 0.902 663 R CB 0.955 31.177 30.300 -0.130 0.000 1.258 663 R HN -0.066 nan 8.270 nan 0.000 0.465 664 Q N 0.949 120.657 119.800 -0.153 0.000 2.323 664 Q HA 0.850 5.190 4.340 0.000 0.000 0.271 664 Q C -1.313 174.643 176.000 -0.074 0.000 1.048 664 Q CA -0.846 54.927 55.803 -0.051 0.000 0.792 664 Q CB 2.812 31.599 28.738 0.082 0.000 1.280 664 Q HN 0.861 nan 8.270 nan 0.000 0.441 665 A N 1.275 123.992 122.820 -0.172 0.000 2.566 665 A HA 0.767 5.087 4.320 0.000 0.000 0.297 665 A C -1.257 176.014 177.584 -0.522 0.000 1.059 665 A CA -0.626 51.196 52.037 -0.358 0.000 0.691 665 A CB 1.325 20.129 19.000 -0.326 0.000 1.282 665 A HN 0.580 nan 8.150 nan 0.000 0.401 666 V N -1.095 118.361 119.914 -0.763 0.000 3.001 666 V HA 0.976 5.096 4.120 0.000 0.000 0.314 666 V C -0.198 175.633 176.094 -0.437 0.000 1.099 666 V CA -0.441 61.472 62.300 -0.645 0.000 0.989 666 V CB 1.747 33.055 31.823 -0.859 0.000 1.040 666 V HN 1.525 nan 8.190 nan 0.000 0.434 667 S N 1.191 116.685 115.700 -0.343 0.000 2.605 667 S HA 0.740 5.210 4.470 0.000 0.000 0.308 667 S C -1.008 173.438 174.600 -0.257 0.000 1.113 667 S CA -0.428 57.633 58.200 -0.233 0.000 1.049 667 S CB 1.376 64.487 63.200 -0.148 0.000 1.001 667 S HN 1.074 nan 8.310 nan 0.000 0.480 668 V N 8.466 128.257 119.914 -0.205 0.000 2.289 668 V HA 0.342 4.462 4.120 0.000 0.000 0.272 668 V C -1.782 174.274 176.094 -0.062 0.000 1.026 668 V CA -1.597 60.600 62.300 -0.173 0.000 0.807 668 V CB 1.013 32.731 31.823 -0.175 0.000 1.044 668 V HN 0.660 nan 8.190 nan 0.000 0.443 669 P HA -0.177 nan 4.420 nan 0.000 0.216 669 P C 1.797 179.120 177.300 0.038 0.000 1.150 669 P CA 1.780 64.889 63.100 0.015 0.000 0.843 669 P CB 0.158 31.876 31.700 0.030 0.000 0.787 670 S N -1.332 114.408 115.700 0.067 0.000 2.474 670 S HA -0.046 4.424 4.470 0.000 0.000 0.235 670 S C 1.585 176.216 174.600 0.052 0.000 0.997 670 S CA 0.834 59.080 58.200 0.076 0.000 0.949 670 S CB -1.232 62.038 63.200 0.117 0.000 0.766 670 S HN 0.134 nan 8.310 nan 0.000 0.517 671 L N 0.765 121.999 121.223 0.019 0.000 2.728 671 L HA 0.385 4.725 4.340 0.000 0.000 0.238 671 L C 1.516 178.385 176.870 -0.000 0.000 1.143 671 L CA 0.087 54.920 54.840 -0.013 0.000 0.937 671 L CB -0.269 41.707 42.059 -0.137 0.000 1.225 671 L HN 0.484 nan 8.230 nan 0.000 0.507 672 G N 1.861 110.667 108.800 0.011 0.000 2.379 672 G HA2 -0.324 3.636 3.960 0.000 0.000 0.297 672 G HA3 -0.324 3.636 3.960 0.000 0.000 0.297 672 G C -0.120 174.771 174.900 -0.014 0.000 1.004 672 G CA 0.592 45.701 45.100 0.014 0.000 0.921 672 G HN 0.326 nan 8.290 nan 0.000 0.511 673 L N 0.528 121.724 121.223 -0.045 0.000 2.307 673 L HA 0.755 5.095 4.340 0.000 0.000 0.284 673 L C -0.092 176.723 176.870 -0.091 0.000 1.023 673 L CA -0.539 54.255 54.840 -0.076 0.000 0.810 673 L CB 1.781 43.770 42.059 -0.117 0.000 1.231 673 L HN 0.054 nan 8.230 nan 0.000 0.423 674 T N 4.370 118.869 114.554 -0.092 0.000 2.812 674 T HA 0.768 5.118 4.350 0.000 0.000 0.282 674 T C -0.616 174.020 174.700 -0.106 0.000 0.990 674 T CA -0.471 61.570 62.100 -0.098 0.000 0.960 674 T CB 1.544 70.397 68.868 -0.025 0.000 0.948 674 T HN 0.689 nan 8.240 nan 0.000 0.438 675 A N 2.330 125.054 122.820 -0.160 0.000 2.371 675 A HA 0.943 5.264 4.320 0.000 0.000 0.311 675 A C -0.717 176.810 177.584 -0.095 0.000 1.068 675 A CA -0.912 51.088 52.037 -0.063 0.000 0.744 675 A CB 1.299 20.307 19.000 0.013 0.000 1.239 675 A HN 1.121 nan 8.150 nan 0.000 0.435 676 A N 2.567 125.400 122.820 0.021 0.000 2.437 676 A HA 0.695 5.015 4.320 0.000 0.000 0.293 676 A C -1.317 176.157 177.584 -0.182 0.000 1.038 676 A CA -0.731 51.182 52.037 -0.206 0.000 0.708 676 A CB 1.085 19.793 19.000 -0.487 0.000 1.251 676 A HN 0.658 nan 8.150 nan 0.000 0.409 677 N N 1.573 120.106 118.700 -0.279 0.000 2.437 677 N HA 0.473 5.213 4.740 0.000 0.000 0.259 677 N C -1.521 173.561 175.510 -0.715 0.000 0.983 677 N CA 0.119 52.920 53.050 -0.414 0.000 0.937 677 N CB 0.640 38.713 38.487 -0.690 0.000 1.122 677 N HN 0.482 nan 8.380 nan 0.000 0.499 678 F N 0.975 120.814 119.950 -0.185 0.000 2.390 678 F HA 0.235 4.762 4.527 0.000 0.000 0.361 678 F C 0.893 176.604 175.800 -0.147 0.000 1.124 678 F CA -0.813 57.107 58.000 -0.133 0.000 1.149 678 F CB 0.535 39.566 39.000 0.052 0.000 1.160 678 F HN 0.543 nan 8.300 nan 0.000 0.501 679 W N 1.761 123.083 121.300 0.036 0.000 2.905 679 W HA 0.100 4.760 4.660 0.000 0.000 0.251 679 W C 0.540 177.120 176.519 0.102 0.000 1.305 679 W CA -0.000 57.236 57.345 -0.181 0.000 1.465 679 W CB 0.047 29.287 29.460 -0.367 0.000 1.122 679 W HN 0.458 nan 8.180 nan 0.000 0.659 680 Q N -1.426 118.584 119.800 0.350 0.000 2.841 680 Q HA 0.580 4.920 4.340 0.000 0.000 0.309 680 Q C -0.908 175.219 176.000 0.211 0.000 0.868 680 Q CA -1.140 54.820 55.803 0.262 0.000 0.760 680 Q CB 0.722 29.575 28.738 0.191 0.000 1.454 680 Q HN -0.170 nan 8.270 nan 0.000 0.449 681 A N -0.068 122.823 122.820 0.117 0.000 2.561 681 A HA 0.579 4.899 4.320 0.000 0.000 0.234 681 A C 0.578 178.195 177.584 0.055 0.000 1.055 681 A CA 1.292 53.348 52.037 0.031 0.000 0.756 681 A CB -0.558 18.452 19.000 0.016 0.000 0.986 681 A HN 1.302 nan 8.150 nan 0.000 0.505 682 G N -0.120 108.664 108.800 -0.028 0.000 2.323 682 G HA2 0.527 4.487 3.960 0.000 0.000 0.291 682 G HA3 0.527 4.487 3.960 0.000 0.000 0.291 682 G C -0.945 174.002 174.900 0.078 0.000 1.278 682 G CA 0.061 45.214 45.100 0.089 0.000 0.860 682 G HN 1.045 nan 8.290 nan 0.000 0.504 683 T N 0.040 114.748 114.554 0.257 0.000 2.921 683 T HA 0.771 5.121 4.350 0.000 0.000 0.297 683 T C -0.535 174.373 174.700 0.347 0.000 1.013 683 T CA 0.360 62.627 62.100 0.278 0.000 0.990 683 T CB 1.588 70.528 68.868 0.119 0.000 1.023 683 T HN 1.724 nan 8.240 nan 0.000 0.447 684 A N 2.003 125.050 122.820 0.378 0.000 2.381 684 A HA 0.874 5.194 4.320 0.000 0.000 0.299 684 A C 0.856 178.511 177.584 0.119 0.000 1.049 684 A CA 0.066 52.180 52.037 0.129 0.000 0.715 684 A CB 0.817 19.755 19.000 -0.104 0.000 1.222 684 A HN 1.424 nan 8.150 nan 0.000 0.428 685 G N 3.226 112.063 108.800 0.061 0.000 2.685 685 G HA2 -0.287 3.673 3.960 0.000 0.000 0.329 685 G HA3 -0.287 3.673 3.960 0.000 0.000 0.329 685 G C -0.724 174.244 174.900 0.113 0.000 1.271 685 G CA 0.754 45.893 45.100 0.066 0.000 1.003 685 G HN 0.924 nan 8.290 nan 0.000 0.549 686 P HA 0.328 nan 4.420 nan 0.000 0.255 686 P C 0.356 177.832 177.300 0.294 0.000 1.248 686 P CA 0.330 63.549 63.100 0.198 0.000 0.807 686 P CB 0.142 31.997 31.700 0.258 0.000 1.150 687 L N -0.327 121.077 121.223 0.302 0.000 2.317 687 L HA 0.485 4.826 4.340 0.000 0.000 0.281 687 L C 0.084 177.088 176.870 0.224 0.000 1.024 687 L CA -0.180 54.853 54.840 0.322 0.000 0.810 687 L CB 1.992 44.303 42.059 0.420 0.000 1.240 687 L HN -0.274 nan 8.230 nan 0.000 0.427 688 T N 0.599 115.169 114.554 0.026 0.000 2.886 688 T HA 0.504 4.854 4.350 0.000 0.000 0.292 688 T C -0.583 173.918 174.700 -0.331 0.000 1.012 688 T CA -0.466 61.539 62.100 -0.158 0.000 0.982 688 T CB 2.060 70.878 68.868 -0.083 0.000 1.018 688 T HN 0.598 nan 8.240 nan 0.000 0.451 689 T N -0.008 114.217 114.554 -0.549 0.000 2.906 689 T HA 0.528 4.878 4.350 0.000 0.000 0.295 689 T C 1.113 175.660 174.700 -0.256 0.000 1.075 689 T CA -0.370 61.462 62.100 -0.447 0.000 1.005 689 T CB 1.462 69.927 68.868 -0.671 0.000 1.136 689 T HN 0.647 nan 8.240 nan 0.000 0.498 690 T N 0.456 114.930 114.554 -0.133 0.000 3.107 690 T HA 0.647 4.997 4.350 0.000 0.000 0.249 690 T C 0.574 175.259 174.700 -0.025 0.000 1.096 690 T CA 0.268 62.332 62.100 -0.061 0.000 1.012 690 T CB -0.011 68.843 68.868 -0.022 0.000 0.977 690 T HN 0.995 nan 8.240 nan 0.000 0.527 691 A N -0.023 122.780 122.820 -0.028 0.000 2.566 691 A HA 0.722 5.042 4.320 0.000 0.000 0.290 691 A C 0.089 177.738 177.584 0.109 0.000 1.071 691 A CA -0.543 51.524 52.037 0.049 0.000 0.658 691 A CB 0.103 19.128 19.000 0.043 0.000 1.285 691 A HN 0.488 nan 8.150 nan 0.000 0.427 692 G N -0.356 108.576 108.800 0.220 0.000 2.265 692 G HA2 0.630 4.590 3.960 0.000 0.000 0.240 692 G HA3 0.630 4.590 3.960 0.000 0.000 0.240 692 G C 0.144 175.174 174.900 0.216 0.000 1.270 692 G CA 1.035 46.391 45.100 0.427 0.000 0.901 692 G HN 2.205 nan 8.290 nan 0.000 0.507 693 A N 1.426 124.454 122.820 0.346 0.000 2.597 693 A HA 0.743 5.063 4.320 0.000 0.000 0.292 693 A C -0.494 177.290 177.584 0.333 0.000 1.057 693 A CA -0.220 51.913 52.037 0.161 0.000 0.674 693 A CB 1.420 20.497 19.000 0.128 0.000 1.278 693 A HN 1.438 nan 8.150 nan 0.000 0.416 694 S N 0.002 115.792 115.700 0.150 0.000 2.473 694 S HA 0.730 5.200 4.470 0.000 0.000 0.307 694 S C -1.222 173.471 174.600 0.156 0.000 1.094 694 S CA -0.385 57.933 58.200 0.196 0.000 1.070 694 S CB 1.028 64.294 63.200 0.109 0.000 1.019 694 S HN 1.358 nan 8.310 nan 0.000 0.480 695 V N 5.394 125.415 119.914 0.178 0.000 2.577 695 V HA 0.612 4.732 4.120 0.000 0.000 0.303 695 V C -1.013 175.126 176.094 0.076 0.000 1.042 695 V CA -0.769 61.612 62.300 0.135 0.000 0.872 695 V CB 1.580 33.533 31.823 0.216 0.000 0.998 695 V HN 0.800 nan 8.190 nan 0.000 0.423 696 L N 6.064 127.299 121.223 0.020 0.000 2.349 696 L HA 0.799 5.139 4.340 0.000 0.000 0.278 696 L C -0.781 176.025 176.870 -0.107 0.000 0.996 696 L CA -0.120 54.713 54.840 -0.011 0.000 0.825 696 L CB 1.924 44.001 42.059 0.029 0.000 1.243 696 L HN 0.468 nan 8.230 nan 0.000 0.412 697 V N 4.972 124.780 119.914 -0.177 0.000 2.417 697 V HA 0.626 4.746 4.120 0.000 0.000 0.291 697 V C -0.294 175.666 176.094 -0.223 0.000 1.024 697 V CA -0.682 61.416 62.300 -0.338 0.000 0.861 697 V CB 1.610 33.050 31.823 -0.638 0.000 0.985 697 V HN 0.730 nan 8.190 nan 0.000 0.436 698 R N 3.421 123.804 120.500 -0.197 0.000 2.439 698 R HA 0.525 4.865 4.340 0.000 0.000 0.310 698 R C -0.487 175.759 176.300 -0.090 0.000 0.955 698 R CA -0.461 55.584 56.100 -0.092 0.000 0.853 698 R CB 1.208 31.504 30.300 -0.006 0.000 1.171 698 R HN 0.686 nan 8.270 nan 0.000 0.449 699 R N 3.433 123.907 120.500 -0.042 0.000 2.229 699 R HA 0.335 4.675 4.340 0.000 0.000 0.328 699 R C -0.454 175.865 176.300 0.032 0.000 1.009 699 R CA -0.541 55.564 56.100 0.008 0.000 0.864 699 R CB 1.168 31.491 30.300 0.038 0.000 1.085 699 R HN 0.409 nan 8.270 nan 0.000 0.453 700 R N 2.219 122.742 120.500 0.039 0.000 2.477 700 R HA 0.225 4.565 4.340 0.000 0.000 0.285 700 R C 0.672 177.002 176.300 0.050 0.000 1.415 700 R CA 0.315 56.442 56.100 0.045 0.000 1.446 700 R CB 1.410 31.734 30.300 0.040 0.000 1.110 700 R HN 0.999 nan 8.270 nan 0.000 0.590 701 G N 1.812 110.645 108.800 0.055 0.000 3.581 701 G HA2 -0.392 3.568 3.960 0.000 0.000 0.336 701 G HA3 -0.392 3.568 3.960 0.000 0.000 0.336 701 G C 0.949 175.889 174.900 0.067 0.000 1.259 701 G CA 0.188 45.322 45.100 0.056 0.000 1.001 701 G HN 0.450 nan 8.290 nan 0.000 0.662 702 R N 1.552 122.089 120.500 0.062 0.000 2.397 702 R HA 0.355 4.695 4.340 0.000 0.000 0.241 702 R C 0.380 176.727 176.300 0.077 0.000 0.914 702 R CA 0.731 56.873 56.100 0.069 0.000 1.071 702 R CB 0.362 30.695 30.300 0.055 0.000 1.116 702 R HN 0.446 nan 8.270 nan 0.000 0.524 703 T N -0.051 114.546 114.554 0.072 0.000 2.907 703 T HA 0.765 5.115 4.350 0.000 0.000 0.292 703 T C -1.432 173.309 174.700 0.069 0.000 1.043 703 T CA -0.483 61.659 62.100 0.069 0.000 1.003 703 T CB 2.232 71.129 68.868 0.048 0.000 1.084 703 T HN 0.162 nan 8.240 nan 0.000 0.483 704 A N 1.693 124.551 122.820 0.064 0.000 2.520 704 A HA 0.785 5.105 4.320 0.000 0.000 0.298 704 A C -0.267 177.285 177.584 -0.055 0.000 1.051 704 A CA -0.833 51.201 52.037 -0.005 0.000 0.690 704 A CB 1.445 20.454 19.000 0.016 0.000 1.281 704 A HN 0.834 nan 8.150 nan 0.000 0.402 705 T N -0.033 114.456 114.554 -0.109 0.000 2.829 705 T HA 0.713 5.063 4.350 0.000 0.000 0.280 705 T C -0.634 173.954 174.700 -0.188 0.000 0.999 705 T CA -0.526 61.513 62.100 -0.103 0.000 0.983 705 T CB 1.043 69.878 68.868 -0.054 0.000 0.968 705 T HN 0.639 nan 8.240 nan 0.000 0.446 706 L N 2.688 123.813 121.223 -0.163 0.000 2.346 706 L HA 0.706 5.046 4.340 0.000 0.000 0.276 706 L C -0.409 176.412 176.870 -0.082 0.000 1.006 706 L CA -0.893 53.833 54.840 -0.190 0.000 0.817 706 L CB 1.358 43.295 42.059 -0.203 0.000 1.272 706 L HN 0.612 nan 8.230 nan 0.000 0.421 707 R N 3.725 124.188 120.500 -0.062 0.000 2.561 707 R HA 0.675 5.015 4.340 0.000 0.000 0.297 707 R C -1.582 174.725 176.300 0.012 0.000 0.969 707 R CA -0.691 55.399 56.100 -0.016 0.000 0.879 707 R CB 2.154 32.442 30.300 -0.021 0.000 1.178 707 R HN 0.389 nan 8.270 nan 0.000 0.445 708 V N 1.538 121.481 119.914 0.049 0.000 2.760 708 V HA 0.703 4.823 4.120 0.000 0.000 0.309 708 V C -0.806 175.353 176.094 0.108 0.000 1.077 708 V CA -0.335 62.009 62.300 0.074 0.000 0.910 708 V CB 2.240 34.106 31.823 0.072 0.000 1.008 708 V HN 0.992 nan 8.190 nan 0.000 0.424 709 S N 4.017 119.752 115.700 0.059 0.000 2.667 709 S HA 0.665 5.135 4.470 0.000 0.000 0.292 709 S C -0.794 173.781 174.600 -0.041 0.000 1.126 709 S CA -0.679 57.544 58.200 0.038 0.000 0.881 709 S CB 2.133 65.304 63.200 -0.049 0.000 1.132 709 S HN 0.887 nan 8.310 nan 0.000 0.492 710 E N 1.150 121.302 120.200 -0.080 0.000 2.489 710 E HA 0.329 4.679 4.350 0.000 0.000 0.232 710 E C -2.208 174.203 176.600 -0.315 0.000 0.990 710 E CA -2.357 53.939 56.400 -0.173 0.000 0.768 710 E CB 1.077 30.731 29.700 -0.077 0.000 1.270 710 E HN 0.362 nan 8.360 nan 0.000 0.423 711 P HA -0.039 nan 4.420 nan 0.000 0.222 711 P C -1.909 175.144 177.300 -0.411 0.000 1.147 711 P CA 0.494 63.201 63.100 -0.655 0.000 0.790 711 P CB -0.324 30.654 31.700 -1.204 0.000 0.780 712 P HA -0.015 nan 4.420 nan 0.000 0.226 712 P C 0.024 177.306 177.300 -0.029 0.000 1.153 712 P CA 0.829 63.880 63.100 -0.082 0.000 0.777 712 P CB -0.302 31.409 31.700 0.018 0.000 0.794 713 R N -2.358 118.105 120.500 -0.061 0.000 3.770 713 R HA -0.153 4.187 4.340 0.000 0.000 0.305 713 R C 1.161 177.473 176.300 0.020 0.000 1.184 713 R CA 0.959 57.053 56.100 -0.010 0.000 0.823 713 R CB -2.953 27.354 30.300 0.012 0.000 1.285 713 R HN 0.361 nan 8.270 nan 0.000 0.499 714 T N -4.017 110.548 114.554 0.019 0.000 2.951 714 T HA 0.068 4.418 4.350 0.000 0.000 0.268 714 T C 1.696 176.411 174.700 0.025 0.000 1.073 714 T CA 1.128 63.248 62.100 0.033 0.000 1.134 714 T CB 0.207 69.097 68.868 0.037 0.000 0.884 714 T HN 0.836 nan 8.240 nan 0.000 0.479 715 G N 1.057 109.865 108.800 0.015 0.000 2.162 715 G HA2 -0.220 3.740 3.960 0.000 0.000 0.260 715 G HA3 -0.220 3.740 3.960 0.000 0.000 0.260 715 G C -0.134 174.768 174.900 0.002 0.000 0.976 715 G CA 0.142 45.248 45.100 0.012 0.000 0.655 715 G HN 0.610 nan 8.290 nan 0.000 0.533 716 E N 0.546 120.749 120.200 0.005 0.000 2.354 716 E HA 0.562 4.912 4.350 0.000 0.000 0.269 716 E C 0.924 177.517 176.600 -0.011 0.000 1.036 716 E CA 0.387 56.789 56.400 0.003 0.000 0.876 716 E CB 1.038 30.746 29.700 0.014 0.000 1.009 716 E HN 0.808 nan 8.360 nan 0.000 0.416 717 A N 3.031 125.842 122.820 -0.016 0.000 2.498 717 A HA 0.348 4.668 4.320 0.000 0.000 0.239 717 A C 0.044 177.616 177.584 -0.020 0.000 1.068 717 A CA -0.042 51.977 52.037 -0.029 0.000 0.766 717 A CB -0.203 18.781 19.000 -0.027 0.000 1.003 717 A HN 0.513 nan 8.150 nan 0.000 0.497 718 L N -0.575 120.631 121.223 -0.029 0.000 2.350 718 L HA 0.877 5.217 4.340 0.000 0.000 0.260 718 L C -0.604 176.263 176.870 -0.006 0.000 1.015 718 L CA -0.669 54.162 54.840 -0.016 0.000 0.821 718 L CB 2.019 44.066 42.059 -0.021 0.000 1.370 718 L HN 0.655 nan 8.230 nan 0.000 0.416 719 E N 2.483 122.690 120.200 0.012 0.000 2.212 719 E HA 0.636 4.986 4.350 0.000 0.000 0.268 719 E C -1.277 175.344 176.600 0.035 0.000 0.902 719 E CA -0.857 55.583 56.400 0.066 0.000 0.779 719 E CB 2.687 32.484 29.700 0.161 0.000 1.172 719 E HN 0.430 nan 8.360 nan 0.000 0.409 720 I N 2.141 122.763 120.570 0.086 0.000 2.545 720 I HA 0.399 4.569 4.170 0.000 0.000 0.292 720 I C -0.521 175.658 176.117 0.105 0.000 1.040 720 I CA -0.945 60.380 61.300 0.040 0.000 1.068 720 I CB 1.764 39.793 38.000 0.048 0.000 1.251 720 I HN 0.263 nan 8.210 nan 0.000 0.424 721 V N 4.700 124.638 119.914 0.041 0.000 2.483 721 V HA 0.331 4.451 4.120 0.000 0.000 0.297 721 V C -1.246 174.960 176.094 0.187 0.000 1.027 721 V CA -0.524 61.809 62.300 0.055 0.000 0.855 721 V CB 2.374 34.120 31.823 -0.129 0.000 0.995 721 V HN 0.773 nan 8.190 nan 0.000 0.424 722 W N 5.015 126.334 121.300 0.032 0.000 2.318 722 W HA 0.527 5.187 4.660 0.000 0.000 0.315 722 W C -0.084 176.477 176.519 0.070 0.000 1.033 722 W CA -1.284 56.096 57.345 0.057 0.000 1.275 722 W CB 1.287 30.786 29.460 0.065 0.000 1.250 722 W HN 0.656 nan 8.180 nan 0.000 0.421 723 D N 4.994 125.337 120.400 -0.096 0.000 2.545 723 D HA 0.039 4.679 4.640 0.000 0.000 0.227 723 D C -0.844 175.180 176.300 -0.461 0.000 1.150 723 D CA 0.820 54.692 54.000 -0.213 0.000 1.046 723 D CB -0.441 40.303 40.800 -0.094 0.000 1.098 723 D HN 0.384 nan 8.370 nan 0.000 0.502 724 H N 1.986 120.590 119.070 -0.776 0.000 3.086 724 H HA 0.287 4.843 4.556 0.000 0.000 0.353 724 H C -2.941 172.043 175.328 -0.573 0.000 1.134 724 H CA -1.667 53.844 56.048 -0.896 0.000 1.248 724 H CB 2.129 30.815 29.762 -1.792 0.000 1.878 724 H HN 0.080 nan 8.280 nan 0.000 0.527 725 P HA 0.055 nan 4.420 nan 0.000 0.267 725 P C -0.751 176.526 177.300 -0.039 0.000 1.205 725 P CA -0.009 62.971 63.100 -0.201 0.000 0.765 725 P CB 0.739 32.306 31.700 -0.221 0.000 0.828 726 V N 0.574 120.495 119.914 0.011 0.000 2.789 726 V HA 0.792 4.912 4.120 0.000 0.000 0.311 726 V C 0.798 176.932 176.094 0.066 0.000 1.073 726 V CA -0.287 62.068 62.300 0.091 0.000 0.921 726 V CB 1.626 33.551 31.823 0.169 0.000 1.009 726 V HN 0.585 nan 8.190 nan 0.000 0.426 727 G N 2.561 111.406 108.800 0.075 0.000 2.607 727 G HA2 0.573 4.533 3.960 0.000 0.000 0.215 727 G HA3 0.573 4.533 3.960 0.000 0.000 0.215 727 G C 0.421 175.353 174.900 0.054 0.000 1.275 727 G CA 0.576 45.708 45.100 0.053 0.000 0.842 727 G HN 1.661 nan 8.290 nan 0.000 0.555 728 A N -1.420 121.437 122.820 0.060 0.000 2.556 728 A HA 0.647 4.967 4.320 0.000 0.000 0.294 728 A C -1.261 176.360 177.584 0.061 0.000 1.091 728 A CA -0.439 51.629 52.037 0.052 0.000 0.704 728 A CB 1.716 20.739 19.000 0.040 0.000 1.300 728 A HN 0.516 nan 8.150 nan 0.000 0.406 729 V N 2.664 122.610 119.914 0.053 0.000 2.432 729 V HA 0.173 4.293 4.120 0.000 0.000 0.271 729 V C 1.168 177.287 176.094 0.042 0.000 1.046 729 V CA -0.040 62.292 62.300 0.053 0.000 0.945 729 V CB 0.738 32.589 31.823 0.047 0.000 0.992 729 V HN 0.844 nan 8.190 nan 0.000 0.471 730 L N 4.509 125.757 121.223 0.042 0.000 2.095 730 L HA 0.163 4.503 4.340 0.000 0.000 0.204 730 L C 1.147 178.033 176.870 0.027 0.000 1.080 730 L CA 1.147 56.006 54.840 0.033 0.000 0.759 730 L CB -0.117 41.961 42.059 0.032 0.000 0.914 730 L HN 0.786 nan 8.230 nan 0.000 0.439 731 R N -0.613 119.903 120.500 0.027 0.000 2.690 731 R HA 0.754 5.094 4.340 0.000 0.000 0.269 731 R C -1.886 174.430 176.300 0.026 0.000 1.037 731 R CA -0.571 55.542 56.100 0.023 0.000 0.877 731 R CB 1.802 32.113 30.300 0.018 0.000 1.255 731 R HN -0.145 nan 8.270 nan 0.000 0.467 732 A N 1.429 124.265 122.820 0.025 0.000 2.577 732 A HA 0.439 4.759 4.320 0.000 0.000 0.297 732 A C -1.595 176.008 177.584 0.033 0.000 1.060 732 A CA -0.914 51.141 52.037 0.030 0.000 0.697 732 A CB 1.656 20.674 19.000 0.029 0.000 1.281 732 A HN 0.731 nan 8.150 nan 0.000 0.402 733 D N 0.681 121.109 120.400 0.046 0.000 2.378 733 D HA 0.172 4.812 4.640 0.000 0.000 0.238 733 D C 1.221 177.549 176.300 0.047 0.000 1.180 733 D CA 0.201 54.236 54.000 0.059 0.000 0.895 733 D CB 0.906 41.772 40.800 0.110 0.000 1.192 733 D HN 0.719 nan 8.370 nan 0.000 0.438 734 E N 0.061 120.288 120.200 0.045 0.000 2.160 734 E HA -0.178 4.172 4.350 0.000 0.000 0.195 734 E C 1.417 178.026 176.600 0.016 0.000 0.991 734 E CA 1.691 58.109 56.400 0.029 0.000 0.810 734 E CB -0.144 29.575 29.700 0.032 0.000 0.742 734 E HN 0.549 nan 8.360 nan 0.000 0.466 735 T N -2.749 111.820 114.554 0.024 0.000 3.129 735 T HA 0.159 4.509 4.350 0.000 0.000 0.251 735 T C 0.512 175.158 174.700 -0.090 0.000 1.117 735 T CA -0.013 62.060 62.100 -0.046 0.000 1.034 735 T CB 0.212 69.031 68.868 -0.082 0.000 0.968 735 T HN -0.098 nan 8.240 nan 0.000 0.526 736 V N 2.074 121.970 119.914 -0.030 0.000 2.328 736 V HA 0.378 4.498 4.120 0.000 0.000 0.278 736 V C -0.109 175.973 176.094 -0.020 0.000 1.021 736 V CA -1.080 61.203 62.300 -0.028 0.000 0.838 736 V CB 1.285 33.114 31.823 0.010 0.000 0.999 736 V HN 0.444 nan 8.190 nan 0.000 0.447 737 E N 5.160 125.339 120.200 -0.035 0.000 2.174 737 E HA 0.345 4.695 4.350 0.000 0.000 0.282 737 E C -0.860 175.714 176.600 -0.043 0.000 0.992 737 E CA -0.818 55.560 56.400 -0.038 0.000 0.803 737 E CB 1.055 30.724 29.700 -0.051 0.000 1.090 737 E HN 0.463 nan 8.360 nan 0.000 0.396 738 I N 6.891 127.444 120.570 -0.029 0.000 2.322 738 I HA 0.019 4.189 4.170 0.000 0.000 0.292 738 I C 1.004 177.083 176.117 -0.062 0.000 1.060 738 I CA 0.264 61.551 61.300 -0.022 0.000 1.309 738 I CB 0.630 38.633 38.000 0.006 0.000 1.415 738 I HN 0.778 nan 8.210 nan 0.000 0.492 739 L N 5.101 126.248 121.223 -0.127 0.000 2.298 739 L HA 0.323 4.663 4.340 0.000 0.000 0.209 739 L C 0.846 177.666 176.870 -0.084 0.000 1.084 739 L CA 0.394 55.112 54.840 -0.202 0.000 0.816 739 L CB 0.072 41.792 42.059 -0.565 0.000 0.967 739 L HN 0.743 nan 8.230 nan 0.000 0.460 740 A N -0.702 122.119 122.820 0.001 0.000 2.605 740 A HA 0.639 4.959 4.320 0.000 0.000 0.294 740 A C -0.468 177.162 177.584 0.077 0.000 1.062 740 A CA -0.216 51.855 52.037 0.057 0.000 0.682 740 A CB 1.211 20.278 19.000 0.111 0.000 1.278 740 A HN 0.042 nan 8.150 nan 0.000 0.410 741 T N -1.800 112.790 114.554 0.060 0.000 2.693 741 T HA 0.948 5.298 4.350 0.000 0.000 0.278 741 T C 0.879 175.602 174.700 0.039 0.000 0.994 741 T CA 0.255 62.392 62.100 0.062 0.000 1.033 741 T CB 1.060 69.963 68.868 0.058 0.000 1.342 741 T HN 2.675 nan 8.240 nan 0.000 0.538 742 G N 1.004 109.820 108.800 0.026 0.000 3.076 742 G HA2 -0.249 3.711 3.960 0.000 0.000 0.256 742 G HA3 -0.249 3.711 3.960 0.000 0.000 0.256 742 G C 0.919 175.804 174.900 -0.024 0.000 1.589 742 G CA 0.264 45.366 45.100 0.003 0.000 1.044 742 G HN 0.824 nan 8.290 nan 0.000 0.563 743 R N 1.488 121.969 120.500 -0.031 0.000 2.115 743 R HA 0.117 4.457 4.340 0.000 0.000 0.230 743 R C 1.307 177.554 176.300 -0.089 0.000 1.111 743 R CA 1.814 57.875 56.100 -0.064 0.000 0.976 743 R CB -0.129 30.139 30.300 -0.053 0.000 0.870 743 R HN 0.684 nan 8.270 nan 0.000 0.445 744 R N -1.103 119.369 120.500 -0.047 0.000 2.870 744 R HA 0.446 4.786 4.340 0.000 0.000 0.262 744 R C -1.571 174.759 176.300 0.049 0.000 1.112 744 R CA -0.977 55.095 56.100 -0.046 0.000 0.976 744 R CB 0.341 30.616 30.300 -0.042 0.000 1.261 744 R HN -0.079 nan 8.270 nan 0.000 0.453 745 L N 0.241 121.540 121.223 0.127 0.000 2.333 745 L HA 0.539 4.879 4.340 0.000 0.000 0.280 745 L C -1.204 175.823 176.870 0.262 0.000 1.004 745 L CA -0.177 54.797 54.840 0.224 0.000 0.820 745 L CB 1.504 43.777 42.059 0.356 0.000 1.247 745 L HN 0.791 nan 8.230 nan 0.000 0.416 746 H N 5.772 124.898 119.070 0.094 0.000 2.727 746 H HA 0.555 5.112 4.556 0.000 0.000 0.330 746 H C -1.622 173.737 175.328 0.052 0.000 0.986 746 H CA -0.903 55.185 56.048 0.066 0.000 1.251 746 H CB 1.165 30.951 29.762 0.040 0.000 1.493 746 H HN 0.619 nan 8.280 nan 0.000 0.515 747 L N 4.506 125.863 121.223 0.222 0.000 2.330 747 L HA 0.525 4.865 4.340 0.000 0.000 0.271 747 L C -0.151 176.733 176.870 0.023 0.000 1.013 747 L CA -0.956 53.922 54.840 0.065 0.000 0.816 747 L CB 2.248 44.351 42.059 0.074 0.000 1.287 747 L HN 0.514 nan 8.230 nan 0.000 0.435 748 R N 1.398 121.870 120.500 -0.047 0.000 2.439 748 R HA 0.647 4.987 4.340 0.000 0.000 0.310 748 R C -1.724 174.542 176.300 -0.057 0.000 0.955 748 R CA -0.468 55.604 56.100 -0.046 0.000 0.853 748 R CB 1.762 32.017 30.300 -0.074 0.000 1.171 748 R HN 0.435 nan 8.270 nan 0.000 0.449 749 V N 3.570 123.442 119.914 -0.069 0.000 2.417 749 V HA 0.330 4.450 4.120 0.000 0.000 0.291 749 V C -0.160 175.836 176.094 -0.163 0.000 1.024 749 V CA -0.625 61.590 62.300 -0.141 0.000 0.861 749 V CB 2.021 33.754 31.823 -0.150 0.000 0.985 749 V HN 0.775 nan 8.190 nan 0.000 0.436 750 T N 8.165 122.600 114.554 -0.198 0.000 2.811 750 T HA 0.298 4.648 4.350 0.000 0.000 0.309 750 T C -1.736 172.819 174.700 -0.241 0.000 1.005 750 T CA -0.855 61.152 62.100 -0.155 0.000 0.955 750 T CB 1.301 70.111 68.868 -0.096 0.000 0.970 750 T HN 0.597 nan 8.240 nan 0.000 0.496 751 P HA 0.229 nan 4.420 nan 0.000 0.261 751 P C 0.881 178.234 177.300 0.089 0.000 1.268 751 P CA 0.150 63.137 63.100 -0.189 0.000 0.833 751 P CB 0.157 31.815 31.700 -0.070 0.000 1.231 752 G N 0.648 109.476 108.800 0.047 0.000 2.698 752 G HA2 -0.179 3.781 3.960 0.000 0.000 0.233 752 G HA3 -0.179 3.781 3.960 0.000 0.000 0.233 752 G C 0.267 175.205 174.900 0.064 0.000 1.352 752 G CA -0.057 45.090 45.100 0.078 0.000 0.879 752 G HN 0.359 nan 8.290 nan 0.000 0.567 753 V N -3.073 116.879 119.914 0.062 0.000 3.166 753 V HA 0.573 4.693 4.120 0.000 0.000 0.332 753 V C 1.354 177.479 176.094 0.052 0.000 1.434 753 V CA 1.229 63.560 62.300 0.050 0.000 1.121 753 V CB 0.216 32.072 31.823 0.054 0.000 1.062 753 V HN 2.164 nan 8.190 nan 0.000 0.489 754 V N -4.245 115.700 119.914 0.051 0.000 3.253 754 V HA 0.401 4.521 4.120 0.000 0.000 0.320 754 V C 1.103 177.201 176.094 0.006 0.000 1.442 754 V CA 0.129 62.455 62.300 0.043 0.000 1.097 754 V CB -0.929 30.933 31.823 0.064 0.000 1.008 754 V HN 0.638 nan 8.190 nan 0.000 0.463 755 C N 1.498 120.794 119.300 -0.006 0.000 4.356 755 C HA -0.189 4.271 4.460 0.000 0.000 0.296 755 C C 1.028 175.979 174.990 -0.065 0.000 1.424 755 C CA 1.119 60.109 59.018 -0.047 0.000 2.000 755 C CB -2.803 24.893 27.740 -0.074 0.000 1.262 755 C HN 0.864 nan 8.230 nan 0.000 0.789 756 T N 2.789 117.299 114.554 -0.074 0.000 2.940 756 T HA 0.236 4.587 4.350 0.000 0.000 0.309 756 T C 0.728 175.218 174.700 -0.349 0.000 1.056 756 T CA 1.029 63.001 62.100 -0.212 0.000 1.137 756 T CB 0.713 69.422 68.868 -0.264 0.000 0.976 756 T HN 0.620 nan 8.240 nan 0.000 0.547 757 T N 5.134 119.506 114.554 -0.303 0.000 2.761 757 T HA 0.183 4.533 4.350 0.000 0.000 0.296 757 T C 0.159 174.634 174.700 -0.375 0.000 0.934 757 T CA -0.426 61.528 62.100 -0.242 0.000 1.091 757 T CB 0.003 68.797 68.868 -0.123 0.000 0.896 757 T HN 0.471 nan 8.240 nan 0.000 0.515 758 H N 2.608 121.666 119.070 -0.019 0.000 2.472 758 H HA 0.471 5.027 4.556 0.000 0.000 0.335 758 H C 0.012 175.330 175.328 -0.016 0.000 1.136 758 H CA -0.547 55.493 56.048 -0.014 0.000 1.264 758 H CB 1.511 31.267 29.762 -0.011 0.000 1.486 758 H HN 0.637 nan 8.280 nan 0.000 0.517 759 E N 0.847 121.101 120.200 0.090 0.000 2.288 759 E HA 0.471 4.821 4.350 0.000 0.000 0.268 759 E C -1.090 175.532 176.600 0.037 0.000 0.885 759 E CA -0.809 55.612 56.400 0.035 0.000 0.767 759 E CB 2.854 32.557 29.700 0.006 0.000 1.220 759 E HN 0.459 nan 8.360 nan 0.000 0.427 760 C N 1.966 121.276 119.300 0.016 0.000 2.752 760 C HA 0.432 4.892 4.460 0.000 0.000 0.360 760 C C -1.283 173.712 174.990 0.009 0.000 1.081 760 C CA -0.340 58.690 59.018 0.020 0.000 1.272 760 C CB 0.782 28.541 27.740 0.032 0.000 1.754 760 C HN 0.977 nan 8.230 nan 0.000 0.483 761 E N 3.686 123.898 120.200 0.020 0.000 2.199 761 E HA 0.766 5.116 4.350 0.000 0.000 0.269 761 E C -0.796 175.832 176.600 0.047 0.000 0.899 761 E CA -0.537 55.876 56.400 0.021 0.000 0.772 761 E CB 1.964 31.673 29.700 0.015 0.000 1.155 761 E HN 0.944 nan 8.360 nan 0.000 0.408 762 V N 0.448 120.402 119.914 0.068 0.000 3.040 762 V HA 0.663 4.783 4.120 0.000 0.000 0.312 762 V C -0.066 176.092 176.094 0.106 0.000 1.115 762 V CA -0.695 61.666 62.300 0.101 0.000 0.998 762 V CB 1.279 33.200 31.823 0.163 0.000 1.042 762 V HN 0.779 nan 8.190 nan 0.000 0.433 763 T N 1.196 115.808 114.554 0.098 0.000 2.922 763 T HA 0.698 5.048 4.350 0.000 0.000 0.285 763 T C -0.353 174.419 174.700 0.120 0.000 1.005 763 T CA -0.609 61.546 62.100 0.093 0.000 1.061 763 T CB 1.055 69.963 68.868 0.067 0.000 1.007 763 T HN 0.744 nan 8.240 nan 0.000 0.502 764 L N 2.778 124.074 121.223 0.122 0.000 2.287 764 L HA 0.671 5.011 4.340 0.000 0.000 0.287 764 L C 0.412 177.347 176.870 0.108 0.000 1.022 764 L CA -0.356 54.574 54.840 0.150 0.000 0.814 764 L CB 0.917 43.089 42.059 0.188 0.000 1.217 764 L HN 1.048 nan 8.230 nan 0.000 0.420 765 S N 0.000 115.751 115.700 0.086 0.000 2.498 765 S HA 0.000 4.470 4.470 0.000 0.000 0.327 765 S CA 0.000 58.227 58.200 0.046 0.000 1.107 765 S CB 0.000 63.231 63.200 0.052 0.000 0.593 765 S HN 0.000 nan 8.310 nan 0.000 0.517