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 1e5m_1_A DATA FIRST_RESID 6 DATA SEQUENCE KKRVVVTGLG AITPIGNTLQ DYWQGLMEGR NGIGPITRFD ASDQACRFGG DATA SEQUENCE EVKDFDATQF LDRKEAKRMD RFCHFAVCAS QQAINDAKLV INELNADEIG DATA SEQUENCE VLIGTGIGGL KVLEDQQTIL LDKGPSRCSP FMIPMMIANM ASGLTAINLG DATA SEQUENCE AKGPNNCTVT ACAAGSNAIG DAFRLVQNGY AKAMICGGTE AAITPLSYAG DATA SEQUENCE FASARALSFR NDDPLHASRP FDKDRDGFVM GEGSGILILE ELESALARGA DATA SEQUENCE KIYGEMVGYA MTCDAYHITA PVPDGRGATR AIAWALKDSG LKPEMVSYIN DATA SEQUENCE AHGTSTPAND VTETRAIKQA LGNHAYNIAV SSTKSMTGHL LGGSGGIEAV DATA SEQUENCE ATVMAIAEDK VPPTINLENP DPECDLDYVP GQSRALIVDV ALSNSFGFGG DATA SEQUENCE HNVTLAFKKY Q 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 6 K HA 0.000 nan 4.320 nan 0.000 0.191 6 K C 0.000 176.583 176.600 -0.028 0.000 0.988 6 K CA 0.000 56.264 56.287 -0.039 0.000 0.838 6 K CB 0.000 32.475 32.500 -0.042 0.000 1.064 7 K N 2.210 122.584 120.400 -0.044 0.000 2.237 7 K HA 0.288 4.608 4.320 0.000 0.000 0.270 7 K C 0.389 176.995 176.600 0.010 0.000 1.015 7 K CA -0.369 55.907 56.287 -0.019 0.000 0.949 7 K CB 0.729 33.210 32.500 -0.031 0.000 0.976 7 K HN 0.425 nan 8.250 nan 0.000 0.472 8 R N 0.552 121.080 120.500 0.047 0.000 2.459 8 R HA 0.339 4.679 4.340 0.000 0.000 0.281 8 R C -0.388 175.977 176.300 0.109 0.000 1.050 8 R CA -0.589 55.570 56.100 0.098 0.000 1.055 8 R CB 0.859 31.224 30.300 0.109 0.000 1.045 8 R HN 0.197 nan 8.270 nan 0.000 0.495 9 V N 3.793 123.821 119.914 0.190 0.000 2.444 9 V HA 0.329 4.449 4.120 0.000 0.000 0.294 9 V C -0.108 176.075 176.094 0.148 0.000 1.022 9 V CA -0.825 61.593 62.300 0.197 0.000 0.850 9 V CB 1.594 33.648 31.823 0.385 0.000 0.992 9 V HN 0.574 nan 8.190 nan 0.000 0.426 10 V N 2.761 122.715 119.914 0.066 0.000 2.881 10 V HA 0.751 4.871 4.120 0.000 0.000 0.316 10 V C -0.240 175.889 176.094 0.058 0.000 1.070 10 V CA -0.919 61.396 62.300 0.025 0.000 0.976 10 V CB 1.931 33.669 31.823 -0.142 0.000 1.038 10 V HN 0.464 nan 8.190 nan 0.000 0.446 11 V N 3.068 123.034 119.914 0.086 0.000 2.364 11 V HA 0.370 4.490 4.120 0.000 0.000 0.272 11 V C 1.284 177.472 176.094 0.156 0.000 1.036 11 V CA 0.613 62.968 62.300 0.091 0.000 0.880 11 V CB 0.664 32.511 31.823 0.041 0.000 0.991 11 V HN 1.175 nan 8.190 nan 0.000 0.460 12 T N 0.379 115.007 114.554 0.123 0.000 3.044 12 T HA 0.456 4.806 4.350 0.000 0.000 0.260 12 T C 0.588 175.411 174.700 0.205 0.000 1.019 12 T CA 0.361 62.544 62.100 0.139 0.000 0.921 12 T CB 0.523 69.416 68.868 0.042 0.000 1.053 12 T HN 0.927 nan 8.240 nan 0.000 0.533 13 G N 0.671 109.572 108.800 0.169 0.000 2.732 13 G HA2 0.607 4.567 3.960 0.000 0.000 0.296 13 G HA3 0.607 4.567 3.960 0.000 0.000 0.296 13 G C -2.068 172.793 174.900 -0.066 0.000 1.448 13 G CA -0.903 44.274 45.100 0.127 0.000 0.911 13 G HN 0.327 nan 8.290 nan 0.000 0.528 14 L N 0.318 121.477 121.223 -0.107 0.000 2.409 14 L HA 0.879 5.219 4.340 0.000 0.000 0.262 14 L C 0.257 177.068 176.870 -0.099 0.000 0.992 14 L CA -0.900 53.818 54.840 -0.203 0.000 0.817 14 L CB 2.738 44.542 42.059 -0.425 0.000 1.350 14 L HN 0.870 nan 8.230 nan 0.000 0.411 15 G N 1.049 109.789 108.800 -0.099 0.000 2.667 15 G HA2 0.851 4.811 3.960 0.000 0.000 0.298 15 G HA3 0.851 4.811 3.960 0.000 0.000 0.298 15 G C -1.893 172.935 174.900 -0.120 0.000 1.377 15 G CA -0.383 44.666 45.100 -0.086 0.000 0.964 15 G HN 0.813 nan 8.290 nan 0.000 0.493 16 A N 0.841 123.575 122.820 -0.142 0.000 2.555 16 A HA 0.739 5.059 4.320 0.000 0.000 0.297 16 A C -1.402 176.002 177.584 -0.300 0.000 1.060 16 A CA -0.479 51.405 52.037 -0.254 0.000 0.710 16 A CB 1.074 19.887 19.000 -0.312 0.000 1.282 16 A HN 0.776 nan 8.150 nan 0.000 0.399 17 I N 2.608 122.923 120.570 -0.426 0.000 2.468 17 I HA 0.552 4.722 4.170 0.000 0.000 0.284 17 I C 0.175 175.930 176.117 -0.604 0.000 1.038 17 I CA -0.226 60.768 61.300 -0.509 0.000 1.083 17 I CB 2.270 39.857 38.000 -0.690 0.000 1.223 17 I HN 0.869 nan 8.210 nan 0.000 0.443 18 T N 2.039 116.319 114.554 -0.457 0.000 2.838 18 T HA 0.486 4.836 4.350 0.000 0.000 0.292 18 T C -2.574 172.003 174.700 -0.205 0.000 1.113 18 T CA -1.925 59.941 62.100 -0.390 0.000 1.008 18 T CB 2.178 70.776 68.868 -0.451 0.000 1.259 18 T HN 0.082 nan 8.240 nan 0.000 0.520 19 P HA 0.170 nan 4.420 nan 0.000 0.230 19 P C 1.035 178.342 177.300 0.011 0.000 1.158 19 P CA 0.552 63.633 63.100 -0.032 0.000 0.769 19 P CB -0.246 31.456 31.700 0.002 0.000 0.807 20 I N -6.302 114.289 120.570 0.034 0.000 4.050 20 I HA 0.592 4.762 4.170 0.000 0.000 0.327 20 I C 0.164 176.338 176.117 0.095 0.000 1.473 20 I CA -0.437 60.905 61.300 0.071 0.000 1.124 20 I CB 0.680 38.735 38.000 0.092 0.000 1.129 20 I HN -0.204 nan 8.210 nan 0.000 0.428 21 G N 1.254 110.094 108.800 0.068 0.000 2.380 21 G HA2 0.066 4.026 3.960 0.000 0.000 0.305 21 G HA3 0.066 4.026 3.960 0.000 0.000 0.305 21 G C -0.983 173.925 174.900 0.013 0.000 1.672 21 G CA -0.607 44.543 45.100 0.082 0.000 0.904 21 G HN 0.010 nan 8.290 nan 0.000 0.686 22 N N 0.124 118.843 118.700 0.031 0.000 2.270 22 N HA 0.179 4.919 4.740 0.000 0.000 0.198 22 N C 0.769 176.269 175.510 -0.016 0.000 1.117 22 N CA 0.806 53.849 53.050 -0.012 0.000 0.845 22 N CB 1.081 39.637 38.487 0.115 0.000 0.980 22 N HN 0.946 nan 8.380 nan 0.000 0.486 23 T N -3.647 110.923 114.554 0.027 0.000 2.841 23 T HA 0.307 4.657 4.350 0.000 0.000 0.296 23 T C 0.873 175.626 174.700 0.088 0.000 1.166 23 T CA -0.793 61.327 62.100 0.033 0.000 1.007 23 T CB 1.421 70.330 68.868 0.068 0.000 1.253 23 T HN -0.168 nan 8.240 nan 0.000 0.511 24 L N 0.950 122.221 121.223 0.080 0.000 2.012 24 L HA -0.042 4.298 4.340 0.000 0.000 0.210 24 L C 2.803 179.788 176.870 0.192 0.000 1.073 24 L CA 2.375 57.297 54.840 0.137 0.000 0.748 24 L CB -0.966 41.133 42.059 0.068 0.000 0.891 24 L HN 0.964 nan 8.230 nan 0.000 0.431 25 Q N -0.995 118.892 119.800 0.146 0.000 2.061 25 Q HA -0.249 4.091 4.340 0.000 0.000 0.204 25 Q C 1.752 177.855 176.000 0.170 0.000 0.984 25 Q CA 2.185 58.083 55.803 0.160 0.000 0.846 25 Q CB -0.127 28.680 28.738 0.115 0.000 0.902 25 Q HN 0.580 nan 8.270 nan 0.000 0.421 26 D N -0.569 119.919 120.400 0.146 0.000 2.144 26 D HA -0.151 4.489 4.640 0.000 0.000 0.200 26 D C 1.575 177.972 176.300 0.162 0.000 0.978 26 D CA 0.903 54.979 54.000 0.127 0.000 0.833 26 D CB -0.398 40.467 40.800 0.108 0.000 0.961 26 D HN 0.363 nan 8.370 nan 0.000 0.470 27 Y N 0.300 120.636 120.300 0.059 0.000 2.145 27 Y HA -0.182 4.368 4.550 -0.000 0.000 0.286 27 Y C 2.184 178.147 175.900 0.105 0.000 1.145 27 Y CA 1.365 59.497 58.100 0.053 0.000 1.148 27 Y CB -0.668 37.815 38.460 0.038 0.000 0.981 27 Y HN 0.144 nan 8.280 nan 0.000 0.507 28 W N 1.367 122.550 121.300 -0.194 0.000 2.381 28 W HA -0.231 4.429 4.660 -0.000 0.000 0.301 28 W C 2.217 178.628 176.519 -0.180 0.000 1.205 28 W CA 1.918 59.088 57.345 -0.292 0.000 1.285 28 W CB -0.314 29.052 29.460 -0.157 0.000 1.133 28 W HN 0.279 nan 8.180 nan 0.000 0.521 29 Q N 0.100 119.862 119.800 -0.063 0.000 2.124 29 Q HA -0.127 4.213 4.340 0.000 0.000 0.202 29 Q C 2.364 178.243 176.000 -0.201 0.000 0.977 29 Q CA 2.114 57.834 55.803 -0.139 0.000 0.850 29 Q CB -0.707 28.026 28.738 -0.009 0.000 0.901 29 Q HN 0.277 nan 8.270 nan 0.000 0.429 30 G N 0.934 109.651 108.800 -0.137 0.000 2.421 30 G HA2 -0.238 3.722 3.960 0.000 0.000 0.216 30 G HA3 -0.238 3.722 3.960 0.000 0.000 0.216 30 G C 1.386 176.155 174.900 -0.218 0.000 1.171 30 G CA 0.706 45.736 45.100 -0.117 0.000 0.775 30 G HN 0.304 nan 8.290 nan 0.000 0.543 31 L N 0.038 121.039 121.223 -0.369 0.000 2.046 31 L HA -0.076 4.264 4.340 0.000 0.000 0.208 31 L C 3.014 179.582 176.870 -0.504 0.000 1.077 31 L CA 0.781 55.346 54.840 -0.459 0.000 0.747 31 L CB -0.322 41.329 42.059 -0.681 0.000 0.896 31 L HN 0.158 nan 8.230 nan 0.000 0.432 32 M N -0.668 118.538 119.600 -0.657 0.000 2.374 32 M HA -0.138 4.342 4.480 0.000 0.000 0.264 32 M C 1.566 177.689 176.300 -0.295 0.000 1.067 32 M CA 1.492 56.469 55.300 -0.538 0.000 1.103 32 M CB -0.779 31.470 32.600 -0.585 0.000 1.402 32 M HN 0.301 nan 8.290 nan 0.000 0.444 33 E N -0.590 119.470 120.200 -0.234 0.000 2.476 33 E HA 0.271 4.621 4.350 0.000 0.000 0.196 33 E C 0.848 177.379 176.600 -0.115 0.000 1.029 33 E CA 0.140 56.455 56.400 -0.143 0.000 0.896 33 E CB 0.181 29.817 29.700 -0.106 0.000 1.012 33 E HN 0.579 nan 8.360 nan 0.000 0.475 34 G N 3.176 111.895 108.800 -0.136 0.000 2.249 34 G HA2 -0.372 3.588 3.960 0.000 0.000 0.273 34 G HA3 -0.372 3.588 3.960 0.000 0.000 0.273 34 G C 0.180 175.038 174.900 -0.070 0.000 1.036 34 G CA 0.513 45.556 45.100 -0.094 0.000 0.824 34 G HN 0.266 nan 8.290 nan 0.000 0.504 35 R N -0.008 120.448 120.500 -0.073 0.000 2.570 35 R HA 0.159 4.499 4.340 0.000 0.000 0.277 35 R C 0.061 176.341 176.300 -0.034 0.000 1.039 35 R CA -0.227 55.846 56.100 -0.046 0.000 1.065 35 R CB 0.243 30.522 30.300 -0.036 0.000 0.964 35 R HN 0.199 nan 8.270 nan 0.000 0.428 36 N N 2.595 121.274 118.700 -0.035 0.000 2.426 36 N HA 0.140 4.880 4.740 0.000 0.000 0.257 36 N C -0.019 175.481 175.510 -0.017 0.000 1.002 36 N CA -0.053 52.973 53.050 -0.040 0.000 0.942 36 N CB 1.749 40.187 38.487 -0.082 0.000 1.112 36 N HN 0.807 nan 8.380 nan 0.000 0.499 37 G N 3.277 112.080 108.800 0.005 0.000 3.189 37 G HA2 0.126 4.086 3.960 0.000 0.000 0.225 37 G HA3 0.126 4.086 3.960 0.000 0.000 0.225 37 G C 0.506 175.429 174.900 0.039 0.000 1.159 37 G CA -0.071 45.043 45.100 0.024 0.000 0.763 37 G HN 0.493 nan 8.290 nan 0.000 0.549 38 I N 1.360 121.947 120.570 0.029 0.000 2.396 38 I HA 0.647 4.817 4.170 0.000 0.000 0.292 38 I C 0.699 176.841 176.117 0.043 0.000 0.999 38 I CA -0.635 60.704 61.300 0.066 0.000 1.310 38 I CB 0.641 38.680 38.000 0.066 0.000 1.404 38 I HN 0.068 nan 8.210 nan 0.000 0.496 39 G N 6.714 115.574 108.800 0.099 0.000 2.550 39 G HA2 0.559 4.519 3.960 0.000 0.000 0.293 39 G HA3 0.559 4.519 3.960 0.000 0.000 0.293 39 G C -3.194 171.784 174.900 0.131 0.000 1.402 39 G CA -0.761 44.382 45.100 0.072 0.000 0.784 39 G HN 0.355 nan 8.290 nan 0.000 0.482 40 P HA 0.198 nan 4.420 nan 0.000 0.267 40 P C 0.075 177.380 177.300 0.008 0.000 1.200 40 P CA -0.095 63.056 63.100 0.084 0.000 0.772 40 P CB 0.919 32.641 31.700 0.037 0.000 0.855 41 I N 3.162 123.683 120.570 -0.081 0.000 2.648 41 I HA -0.014 4.156 4.170 0.000 0.000 0.284 41 I C 1.815 177.785 176.117 -0.244 0.000 1.153 41 I CA 0.935 62.083 61.300 -0.254 0.000 1.426 41 I CB 0.152 37.772 38.000 -0.634 0.000 1.381 41 I HN 0.550 nan 8.210 nan 0.000 0.571 42 T N 2.494 116.940 114.554 -0.180 0.000 2.969 42 T HA 0.173 4.523 4.350 0.000 0.000 0.258 42 T C 1.391 176.050 174.700 -0.068 0.000 0.962 42 T CA -0.295 61.742 62.100 -0.106 0.000 0.903 42 T CB 0.165 69.016 68.868 -0.028 0.000 1.177 42 T HN 0.518 nan 8.240 nan 0.000 0.511 43 R N 0.838 121.311 120.500 -0.045 0.000 2.237 43 R HA 0.251 4.591 4.340 0.000 0.000 0.219 43 R C 0.052 176.467 176.300 0.191 0.000 1.080 43 R CA 0.854 57.010 56.100 0.094 0.000 0.995 43 R CB -0.262 30.144 30.300 0.176 0.000 0.875 43 R HN 0.650 nan 8.270 nan 0.000 0.462 44 F N -3.354 116.572 119.950 -0.040 0.000 2.741 44 F HA 0.311 4.838 4.527 -0.000 0.000 0.311 44 F C -1.467 174.304 175.800 -0.048 0.000 1.149 44 F CA -1.840 56.135 58.000 -0.043 0.000 0.930 44 F CB 0.844 39.809 39.000 -0.059 0.000 1.312 44 F HN -0.363 nan 8.300 nan 0.000 0.450 45 D N 1.767 122.246 120.400 0.131 0.000 2.359 45 D HA 0.395 5.035 4.640 0.000 0.000 0.250 45 D C 0.418 176.750 176.300 0.052 0.000 1.264 45 D CA 0.338 54.347 54.000 0.015 0.000 0.911 45 D CB 1.368 42.209 40.800 0.068 0.000 1.056 45 D HN 0.856 nan 8.370 nan 0.000 0.499 46 A N 3.030 125.716 122.820 -0.222 0.000 2.462 46 A HA 0.095 4.415 4.320 0.000 0.000 0.261 46 A C 1.970 179.550 177.584 -0.007 0.000 1.323 46 A CA -0.226 51.748 52.037 -0.104 0.000 0.913 46 A CB 0.048 18.797 19.000 -0.417 0.000 1.028 46 A HN 0.468 nan 8.150 nan 0.000 0.511 47 S N 1.426 117.126 115.700 -0.000 0.000 2.400 47 S HA -0.155 4.315 4.470 0.000 0.000 0.232 47 S C 1.417 176.031 174.600 0.023 0.000 1.025 47 S CA 1.632 59.837 58.200 0.009 0.000 0.993 47 S CB -0.220 62.985 63.200 0.009 0.000 0.808 47 S HN 0.912 nan 8.310 nan 0.000 0.478 48 D N 0.181 120.607 120.400 0.044 0.000 2.342 48 D HA 0.055 4.695 4.640 0.000 0.000 0.221 48 D C 0.318 176.644 176.300 0.043 0.000 1.101 48 D CA -0.015 54.007 54.000 0.036 0.000 0.837 48 D CB -0.103 40.720 40.800 0.038 0.000 0.938 48 D HN 0.194 nan 8.370 nan 0.000 0.508 49 Q N -0.030 119.810 119.800 0.066 0.000 2.214 49 Q HA 0.565 4.905 4.340 0.000 0.000 0.251 49 Q C 0.705 176.703 176.000 -0.004 0.000 0.936 49 Q CA -0.390 55.463 55.803 0.083 0.000 0.894 49 Q CB 1.953 30.817 28.738 0.209 0.000 1.252 49 Q HN 0.144 nan 8.270 nan 0.000 0.448 50 A N 0.673 123.444 122.820 -0.081 0.000 2.014 50 A HA -0.035 4.285 4.320 0.000 0.000 0.218 50 A C 0.820 178.261 177.584 -0.237 0.000 1.163 50 A CA 0.590 52.425 52.037 -0.336 0.000 0.652 50 A CB 0.156 18.759 19.000 -0.662 0.000 0.808 50 A HN 0.624 nan 8.150 nan 0.000 0.449 51 C N 0.124 119.428 119.300 0.006 0.000 2.345 51 C HA 0.715 5.175 4.460 0.000 0.000 0.323 51 C C 0.716 175.750 174.990 0.072 0.000 1.276 51 C CA -0.844 58.183 59.018 0.015 0.000 1.543 51 C CB 0.150 27.826 27.740 -0.106 0.000 2.211 51 C HN 0.522 nan 8.230 nan 0.000 0.493 52 R N 3.801 124.319 120.500 0.030 0.000 2.662 52 R HA 0.310 4.650 4.340 0.000 0.000 0.396 52 R C -0.835 175.541 176.300 0.125 0.000 1.096 52 R CA -0.022 56.117 56.100 0.066 0.000 1.081 52 R CB 0.227 30.579 30.300 0.086 0.000 1.382 52 R HN 0.751 nan 8.270 nan 0.000 0.580 53 F N -2.467 117.577 119.950 0.156 0.000 2.664 53 F HA 0.896 5.423 4.527 -0.000 0.000 0.317 53 F C -0.117 175.809 175.800 0.211 0.000 1.108 53 F CA -1.262 56.801 58.000 0.106 0.000 0.957 53 F CB 1.193 40.238 39.000 0.074 0.000 1.365 53 F HN -0.059 nan 8.300 nan 0.000 0.475 54 G N -0.976 108.039 108.800 0.358 0.000 2.342 54 G HA2 0.477 4.437 3.960 0.000 0.000 0.297 54 G HA3 0.477 4.437 3.960 0.000 0.000 0.297 54 G C -1.646 173.391 174.900 0.227 0.000 1.313 54 G CA -0.344 44.936 45.100 0.301 0.000 0.830 54 G HN 1.210 nan 8.290 nan 0.000 0.506 55 G N 0.264 109.177 108.800 0.187 0.000 2.607 55 G HA2 0.573 4.533 3.960 0.000 0.000 0.332 55 G HA3 0.573 4.533 3.960 0.000 0.000 0.332 55 G C -0.231 174.733 174.900 0.107 0.000 1.046 55 G CA -0.237 44.938 45.100 0.125 0.000 1.099 55 G HN 0.512 nan 8.290 nan 0.000 0.451 56 E N 0.999 121.260 120.200 0.101 0.000 2.248 56 E HA 0.341 4.691 4.350 0.000 0.000 0.272 56 E C -0.385 176.263 176.600 0.081 0.000 1.008 56 E CA -0.785 55.681 56.400 0.110 0.000 0.856 56 E CB 2.606 32.373 29.700 0.113 0.000 1.120 56 E HN 0.171 nan 8.360 nan 0.000 0.397 57 V N 3.560 123.534 119.914 0.099 0.000 2.488 57 V HA 0.083 4.203 4.120 0.000 0.000 0.277 57 V C 0.174 176.363 176.094 0.158 0.000 1.046 57 V CA -0.051 62.282 62.300 0.054 0.000 0.986 57 V CB 0.574 32.378 31.823 -0.031 0.000 0.989 57 V HN 0.498 nan 8.190 nan 0.000 0.475 58 K N 2.697 123.175 120.400 0.131 0.000 2.221 58 K HA 0.369 4.689 4.320 0.000 0.000 0.243 58 K C 0.016 176.729 176.600 0.187 0.000 0.968 58 K CA -0.704 55.672 56.287 0.148 0.000 0.846 58 K CB 1.076 33.635 32.500 0.098 0.000 1.141 58 K HN 0.716 nan 8.250 nan 0.000 0.434 59 D N 0.823 121.325 120.400 0.170 0.000 2.701 59 D HA -0.247 4.393 4.640 0.000 0.000 0.235 59 D C -0.663 175.786 176.300 0.248 0.000 1.155 59 D CA 0.959 55.056 54.000 0.162 0.000 0.649 59 D CB -1.189 39.685 40.800 0.124 0.000 1.050 59 D HN 0.321 nan 8.370 nan 0.000 0.425 60 F N 1.575 121.606 119.950 0.136 0.000 2.449 60 F HA 0.409 4.936 4.527 0.000 0.000 0.342 60 F C -0.621 175.275 175.800 0.160 0.000 1.127 60 F CA -1.320 56.795 58.000 0.191 0.000 0.975 60 F CB 1.546 40.698 39.000 0.253 0.000 1.146 60 F HN -0.255 nan 8.300 nan 0.000 0.444 61 D N 4.901 124.934 120.400 -0.611 0.000 2.454 61 D HA 0.413 5.053 4.640 0.000 0.000 0.247 61 D C 0.660 176.481 176.300 -0.798 0.000 1.129 61 D CA -0.048 53.603 54.000 -0.582 0.000 0.877 61 D CB 1.732 42.348 40.800 -0.307 0.000 1.082 61 D HN 0.671 nan 8.370 nan 0.000 0.537 62 A N 2.652 124.916 122.820 -0.926 0.000 1.986 62 A HA -0.183 4.137 4.320 0.000 0.000 0.220 62 A C 1.966 179.373 177.584 -0.295 0.000 1.171 62 A CA 2.216 53.908 52.037 -0.574 0.000 0.640 62 A CB -0.895 17.635 19.000 -0.784 0.000 0.811 62 A HN 0.650 nan 8.150 nan 0.000 0.451 63 T N -2.590 111.765 114.554 -0.333 0.000 3.098 63 T HA -0.122 4.228 4.350 0.000 0.000 0.266 63 T C 1.654 176.182 174.700 -0.287 0.000 1.145 63 T CA 1.333 63.288 62.100 -0.241 0.000 1.092 63 T CB -0.258 68.490 68.868 -0.200 0.000 0.908 63 T HN 0.628 nan 8.240 nan 0.000 0.526 64 Q N -0.433 119.084 119.800 -0.472 0.000 2.311 64 Q HA 0.068 4.408 4.340 0.000 0.000 0.203 64 Q C 0.663 176.156 176.000 -0.845 0.000 0.954 64 Q CA 0.915 56.276 55.803 -0.737 0.000 0.885 64 Q CB 0.001 28.082 28.738 -1.095 0.000 0.963 64 Q HN 0.751 nan 8.270 nan 0.000 0.471 65 F N -0.872 119.027 119.950 -0.085 0.000 2.784 65 F HA 0.320 4.847 4.527 0.000 0.000 0.323 65 F C 0.147 175.931 175.800 -0.027 0.000 1.085 65 F CA -0.274 57.710 58.000 -0.027 0.000 1.196 65 F CB 0.729 39.747 39.000 0.030 0.000 1.053 65 F HN -0.157 nan 8.300 nan 0.000 0.578 66 L N 0.078 121.348 121.223 0.079 0.000 2.341 66 L HA 0.400 4.740 4.340 0.000 0.000 0.267 66 L C -0.656 176.202 176.870 -0.020 0.000 1.009 66 L CA -1.244 53.620 54.840 0.039 0.000 0.819 66 L CB 1.760 43.842 42.059 0.038 0.000 1.323 66 L HN -0.152 nan 8.230 nan 0.000 0.425 67 D N 0.343 120.736 120.400 -0.012 0.000 2.488 67 D HA -0.000 4.640 4.640 0.000 0.000 0.238 67 D C 1.093 177.369 176.300 -0.041 0.000 1.138 67 D CA 0.063 54.047 54.000 -0.028 0.000 0.873 67 D CB 0.992 41.781 40.800 -0.019 0.000 1.183 67 D HN 0.357 nan 8.370 nan 0.000 0.458 68 R N 2.336 122.805 120.500 -0.051 0.000 2.080 68 R HA -0.139 4.201 4.340 0.000 0.000 0.236 68 R C 1.897 178.168 176.300 -0.049 0.000 1.137 68 R CA 1.692 57.758 56.100 -0.057 0.000 0.943 68 R CB -0.054 30.213 30.300 -0.055 0.000 0.846 68 R HN 0.506 nan 8.270 nan 0.000 0.431 69 K N 0.065 120.436 120.400 -0.048 0.000 2.057 69 K HA -0.168 4.152 4.320 0.000 0.000 0.207 69 K C 2.058 178.615 176.600 -0.072 0.000 1.049 69 K CA 1.620 57.871 56.287 -0.061 0.000 0.931 69 K CB -0.074 32.390 32.500 -0.060 0.000 0.714 69 K HN 0.305 nan 8.250 nan 0.000 0.440 70 E N 0.561 120.729 120.200 -0.053 0.000 2.077 70 E HA -0.172 4.178 4.350 0.000 0.000 0.193 70 E C 2.065 178.658 176.600 -0.013 0.000 0.989 70 E CA 1.034 57.407 56.400 -0.046 0.000 0.800 70 E CB -0.097 29.588 29.700 -0.025 0.000 0.746 70 E HN 0.323 nan 8.360 nan 0.000 0.452 71 A N 1.512 124.338 122.820 0.009 0.000 1.933 71 A HA -0.242 4.078 4.320 0.000 0.000 0.218 71 A C 2.040 179.717 177.584 0.154 0.000 1.175 71 A CA 1.652 53.740 52.037 0.084 0.000 0.628 71 A CB -0.375 18.583 19.000 -0.070 0.000 0.814 71 A HN 0.062 nan 8.150 nan 0.000 0.444 72 K N -0.546 119.872 120.400 0.029 0.000 2.211 72 K HA -0.035 4.285 4.320 0.000 0.000 0.203 72 K C 1.388 177.967 176.600 -0.035 0.000 1.050 72 K CA 0.825 57.119 56.287 0.011 0.000 0.945 72 K CB -0.066 32.417 32.500 -0.028 0.000 0.732 72 K HN 0.345 nan 8.250 nan 0.000 0.451 73 R N 0.800 121.243 120.500 -0.095 0.000 2.568 73 R HA 0.162 4.502 4.340 0.000 0.000 0.288 73 R C -0.221 176.008 176.300 -0.118 0.000 1.077 73 R CA -0.050 55.940 56.100 -0.183 0.000 1.102 73 R CB 0.112 30.220 30.300 -0.321 0.000 1.278 73 R HN 0.283 nan 8.270 nan 0.000 0.560 74 M N -2.722 116.825 119.600 -0.089 0.000 2.520 74 M HA 0.413 4.893 4.480 0.000 0.000 0.283 74 M C -1.509 174.588 176.300 -0.338 0.000 1.237 74 M CA -1.043 54.148 55.300 -0.181 0.000 0.885 74 M CB 2.307 34.794 32.600 -0.188 0.000 1.727 74 M HN -0.248 nan 8.290 nan 0.000 0.468 75 D N 0.683 120.875 120.400 -0.347 0.000 2.383 75 D HA 0.301 4.941 4.640 0.000 0.000 0.248 75 D C 1.050 176.962 176.300 -0.646 0.000 1.170 75 D CA -0.207 53.604 54.000 -0.315 0.000 0.977 75 D CB 1.398 42.240 40.800 0.069 0.000 1.120 75 D HN 0.762 nan 8.370 nan 0.000 0.481 76 R N 0.990 121.229 120.500 -0.434 0.000 2.117 76 R HA -0.190 4.150 4.340 0.000 0.000 0.243 76 R C 2.064 178.073 176.300 -0.485 0.000 1.143 76 R CA 1.852 57.670 56.100 -0.470 0.000 0.968 76 R CB -0.506 29.636 30.300 -0.264 0.000 0.863 76 R HN 0.681 nan 8.270 nan 0.000 0.444 77 F N -0.990 118.781 119.950 -0.298 0.000 2.269 77 F HA -0.103 4.424 4.527 0.000 0.000 0.301 77 F C 1.844 177.606 175.800 -0.064 0.000 1.082 77 F CA 0.486 58.420 58.000 -0.110 0.000 1.360 77 F CB -0.853 38.138 39.000 -0.014 0.000 1.041 77 F HN -0.068 nan 8.300 nan 0.000 0.512 78 C N 0.532 119.309 119.300 -0.872 0.000 2.485 78 C HA 0.005 4.465 4.460 0.000 0.000 0.278 78 C C 2.628 177.490 174.990 -0.212 0.000 1.356 78 C CA 0.862 59.482 59.018 -0.662 0.000 1.747 78 C CB -1.576 25.712 27.740 -0.754 0.000 2.001 78 C HN 0.613 nan 8.230 nan 0.000 0.501 79 H N -0.195 118.756 119.070 -0.199 0.000 2.319 79 H HA -0.171 4.385 4.556 0.000 0.000 0.299 79 H C 2.055 177.452 175.328 0.115 0.000 1.092 79 H CA 1.853 57.896 56.048 -0.009 0.000 1.302 79 H CB -0.182 29.597 29.762 0.030 0.000 1.373 79 H HN 0.349 nan 8.280 nan 0.000 0.497 80 F N 0.691 120.698 119.950 0.096 0.000 2.102 80 F HA -0.165 4.362 4.527 -0.000 0.000 0.298 80 F C 2.723 178.472 175.800 -0.085 0.000 1.105 80 F CA 0.907 58.846 58.000 -0.102 0.000 1.239 80 F CB -1.170 37.756 39.000 -0.123 0.000 0.991 80 F HN 0.179 nan 8.300 nan 0.000 0.474 81 A N 0.129 123.035 122.820 0.143 0.000 1.883 81 A HA -0.134 4.186 4.320 0.000 0.000 0.217 81 A C 2.453 180.051 177.584 0.024 0.000 1.186 81 A CA 2.212 54.279 52.037 0.050 0.000 0.624 81 A CB -1.262 17.745 19.000 0.012 0.000 0.822 81 A HN 0.175 nan 8.150 nan 0.000 0.444 82 V N -0.786 119.146 119.914 0.030 0.000 2.295 82 V HA -0.313 3.807 4.120 0.000 0.000 0.246 82 V C 2.661 178.778 176.094 0.039 0.000 1.049 82 V CA 2.049 64.369 62.300 0.033 0.000 1.024 82 V CB -1.185 30.666 31.823 0.046 0.000 0.648 82 V HN 0.712 nan 8.190 nan 0.000 0.447 83 C N 0.362 119.703 119.300 0.069 0.000 2.440 83 C HA -0.003 4.457 4.460 0.000 0.000 0.278 83 C C 3.087 178.017 174.990 -0.100 0.000 1.295 83 C CA 0.635 59.647 59.018 -0.011 0.000 1.738 83 C CB -1.325 26.449 27.740 0.056 0.000 1.987 83 C HN 0.622 nan 8.230 nan 0.000 0.492 84 A N 0.244 123.017 122.820 -0.078 0.000 1.969 84 A HA -0.104 4.216 4.320 0.000 0.000 0.218 84 A C 2.251 179.793 177.584 -0.071 0.000 1.169 84 A CA 2.006 53.978 52.037 -0.109 0.000 0.635 84 A CB -0.578 18.349 19.000 -0.121 0.000 0.810 84 A HN 0.539 nan 8.150 nan 0.000 0.445 85 S N -0.259 115.418 115.700 -0.039 0.000 2.387 85 S HA -0.165 4.305 4.470 0.000 0.000 0.226 85 S C 2.081 176.671 174.600 -0.016 0.000 1.026 85 S CA 1.366 59.552 58.200 -0.023 0.000 0.972 85 S CB -0.278 62.917 63.200 -0.008 0.000 0.814 85 S HN 0.708 nan 8.310 nan 0.000 0.477 86 Q N 0.973 120.764 119.800 -0.014 0.000 2.084 86 Q HA -0.170 4.170 4.340 0.000 0.000 0.202 86 Q C 2.378 178.373 176.000 -0.009 0.000 0.978 86 Q CA 1.238 57.041 55.803 0.001 0.000 0.844 86 Q CB -0.239 28.509 28.738 0.017 0.000 0.898 86 Q HN 0.601 nan 8.270 nan 0.000 0.426 87 Q N 0.145 119.919 119.800 -0.043 0.000 2.061 87 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 87 Q C 2.178 178.169 176.000 -0.014 0.000 0.984 87 Q CA 1.489 57.269 55.803 -0.038 0.000 0.846 87 Q CB -0.265 28.429 28.738 -0.074 0.000 0.902 87 Q HN 0.405 nan 8.270 nan 0.000 0.421 88 A N 0.852 123.658 122.820 -0.024 0.000 1.902 88 A HA -0.181 4.139 4.320 0.000 0.000 0.217 88 A C 1.996 179.585 177.584 0.009 0.000 1.181 88 A CA 1.150 53.179 52.037 -0.014 0.000 0.623 88 A CB -0.503 18.479 19.000 -0.030 0.000 0.818 88 A HN 0.271 nan 8.150 nan 0.000 0.443 89 I N 0.700 121.275 120.570 0.008 0.000 2.226 89 I HA -0.193 3.977 4.170 0.000 0.000 0.245 89 I C 1.852 177.982 176.117 0.023 0.000 1.100 89 I CA 1.296 62.606 61.300 0.016 0.000 1.374 89 I CB -1.482 36.528 38.000 0.016 0.000 1.057 89 I HN 0.339 nan 8.210 nan 0.000 0.413 90 N N 0.826 119.540 118.700 0.024 0.000 2.142 90 N HA -0.204 4.536 4.740 0.000 0.000 0.186 90 N C 1.606 177.135 175.510 0.033 0.000 1.023 90 N CA 1.414 54.482 53.050 0.030 0.000 0.852 90 N CB -0.433 38.075 38.487 0.036 0.000 0.998 90 N HN 0.391 nan 8.380 nan 0.000 0.424 91 D N 0.595 121.019 120.400 0.039 0.000 2.144 91 D HA -0.029 4.611 4.640 0.000 0.000 0.199 91 D C 1.591 177.926 176.300 0.059 0.000 0.984 91 D CA 1.225 55.260 54.000 0.058 0.000 0.834 91 D CB -0.070 40.779 40.800 0.083 0.000 0.955 91 D HN 0.234 nan 8.370 nan 0.000 0.465 92 A N -0.249 122.603 122.820 0.054 0.000 2.119 92 A HA 0.053 4.373 4.320 0.000 0.000 0.216 92 A C 0.978 178.575 177.584 0.021 0.000 1.152 92 A CA 0.716 52.780 52.037 0.044 0.000 0.708 92 A CB -0.256 18.770 19.000 0.043 0.000 0.805 92 A HN 0.291 nan 8.150 nan 0.000 0.460 93 K N -2.118 118.294 120.400 0.020 0.000 3.129 93 K HA -0.181 4.139 4.320 0.000 0.000 0.273 93 K C -0.459 176.148 176.600 0.012 0.000 1.123 93 K CA 0.607 56.902 56.287 0.013 0.000 0.800 93 K CB -1.941 30.562 32.500 0.006 0.000 1.238 93 K HN 0.430 nan 8.250 nan 0.000 0.492 94 L N 1.153 122.385 121.223 0.015 0.000 2.315 94 L HA 0.199 4.539 4.340 0.000 0.000 0.283 94 L C -0.185 176.693 176.870 0.013 0.000 1.089 94 L CA -0.125 54.722 54.840 0.013 0.000 0.833 94 L CB 1.325 43.393 42.059 0.015 0.000 1.170 94 L HN -0.025 nan 8.230 nan 0.000 0.442 95 V N 7.439 127.360 119.914 0.011 0.000 2.385 95 V HA 0.333 4.453 4.120 0.000 0.000 0.269 95 V C 0.408 176.509 176.094 0.011 0.000 1.043 95 V CA -0.321 61.985 62.300 0.011 0.000 0.906 95 V CB 0.904 32.732 31.823 0.009 0.000 0.995 95 V HN 0.579 nan 8.190 nan 0.000 0.467 96 I N 6.559 127.136 120.570 0.012 0.000 2.312 96 I HA 0.446 4.616 4.170 0.000 0.000 0.290 96 I C -0.061 176.063 176.117 0.011 0.000 1.008 96 I CA -0.202 61.105 61.300 0.012 0.000 1.226 96 I CB 1.163 39.171 38.000 0.013 0.000 1.371 96 I HN 0.834 nan 8.210 nan 0.000 0.468 97 N N 3.417 122.123 118.700 0.010 0.000 3.102 97 N HA 0.268 5.008 4.740 0.000 0.000 0.299 97 N C 0.153 175.669 175.510 0.009 0.000 1.482 97 N CA -0.948 52.107 53.050 0.009 0.000 0.785 97 N CB 0.526 39.018 38.487 0.008 0.000 1.680 97 N HN 0.357 nan 8.380 nan 0.000 0.594 98 E N -0.445 119.760 120.200 0.008 0.000 2.219 98 E HA -0.110 4.240 4.350 0.000 0.000 0.198 98 E C 1.168 177.773 176.600 0.008 0.000 0.998 98 E CA 1.115 57.520 56.400 0.008 0.000 0.818 98 E CB -0.372 29.332 29.700 0.007 0.000 0.741 98 E HN 0.434 nan 8.360 nan 0.000 0.477 99 L N 1.100 122.327 121.223 0.007 0.000 2.217 99 L HA -0.101 4.239 4.340 0.000 0.000 0.211 99 L C 1.670 178.545 176.870 0.007 0.000 1.107 99 L CA 0.841 55.685 54.840 0.007 0.000 0.783 99 L CB -0.352 41.710 42.059 0.006 0.000 0.919 99 L HN 0.268 nan 8.230 nan 0.000 0.442 100 N N -0.834 117.872 118.700 0.009 0.000 2.143 100 N HA 0.083 4.823 4.740 0.000 0.000 0.222 100 N C 1.282 176.799 175.510 0.012 0.000 1.264 100 N CA 0.511 53.567 53.050 0.010 0.000 0.897 100 N CB 0.087 38.579 38.487 0.009 0.000 1.092 100 N HN 0.011 nan 8.380 nan 0.000 0.516 101 A N 1.297 124.124 122.820 0.012 0.000 1.940 101 A HA -0.168 4.152 4.320 0.000 0.000 0.219 101 A C 1.535 179.129 177.584 0.016 0.000 1.176 101 A CA 1.744 53.789 52.037 0.014 0.000 0.631 101 A CB -0.523 18.485 19.000 0.012 0.000 0.814 101 A HN 0.259 nan 8.150 nan 0.000 0.446 102 D N -0.159 120.251 120.400 0.017 0.000 2.310 102 D HA -0.108 4.532 4.640 0.000 0.000 0.212 102 D C 1.438 177.753 176.300 0.025 0.000 0.965 102 D CA 1.336 55.349 54.000 0.020 0.000 0.879 102 D CB -0.187 40.625 40.800 0.019 0.000 0.921 102 D HN 0.923 nan 8.370 nan 0.000 0.510 103 E N 0.195 120.409 120.200 0.022 0.000 2.476 103 E HA 0.159 4.509 4.350 0.000 0.000 0.196 103 E C 0.331 176.948 176.600 0.027 0.000 1.029 103 E CA -0.074 56.341 56.400 0.025 0.000 0.896 103 E CB 0.408 30.118 29.700 0.016 0.000 1.012 103 E HN 0.136 nan 8.360 nan 0.000 0.475 104 I N 1.505 122.090 120.570 0.026 0.000 2.410 104 I HA 0.442 4.612 4.170 0.000 0.000 0.286 104 I C 0.205 176.338 176.117 0.026 0.000 1.009 104 I CA -0.946 60.369 61.300 0.025 0.000 1.111 104 I CB 1.920 39.932 38.000 0.020 0.000 1.262 104 I HN 0.090 nan 8.210 nan 0.000 0.443 105 G N 4.977 113.795 108.800 0.030 0.000 2.820 105 G HA2 0.796 4.756 3.960 0.000 0.000 0.291 105 G HA3 0.796 4.756 3.960 0.000 0.000 0.291 105 G C -1.167 173.747 174.900 0.023 0.000 1.323 105 G CA -0.550 44.566 45.100 0.027 0.000 1.055 105 G HN 0.296 nan 8.290 nan 0.000 0.520 106 V N -0.074 119.852 119.914 0.020 0.000 2.760 106 V HA 0.576 4.696 4.120 0.000 0.000 0.309 106 V C -0.718 175.387 176.094 0.017 0.000 1.077 106 V CA -0.532 61.778 62.300 0.017 0.000 0.910 106 V CB 1.849 33.681 31.823 0.014 0.000 1.008 106 V HN 0.607 nan 8.190 nan 0.000 0.424 107 L N 5.839 127.072 121.223 0.016 0.000 2.563 107 L HA 0.593 4.933 4.340 0.000 0.000 0.259 107 L C -1.413 175.466 176.870 0.015 0.000 1.034 107 L CA -0.014 54.835 54.840 0.015 0.000 0.899 107 L CB 0.942 43.008 42.059 0.012 0.000 1.159 107 L HN 0.586 nan 8.230 nan 0.000 0.456 108 I N 2.923 123.508 120.570 0.026 0.000 2.389 108 I HA 0.477 4.647 4.170 0.000 0.000 0.288 108 I C 0.733 176.881 176.117 0.051 0.000 0.999 108 I CA -0.450 60.871 61.300 0.035 0.000 1.129 108 I CB 1.880 39.905 38.000 0.041 0.000 1.288 108 I HN 0.492 nan 8.210 nan 0.000 0.444 109 G N 3.071 111.895 108.800 0.040 0.000 2.488 109 G HA2 0.651 4.611 3.960 0.000 0.000 0.318 109 G HA3 0.651 4.611 3.960 0.000 0.000 0.318 109 G C -0.790 174.147 174.900 0.063 0.000 1.188 109 G CA -0.239 44.885 45.100 0.041 0.000 0.944 109 G HN 0.478 nan 8.290 nan 0.000 0.495 110 T N -2.053 112.529 114.554 0.046 0.000 2.840 110 T HA 0.534 4.884 4.350 0.000 0.000 0.317 110 T C 1.006 175.704 174.700 -0.005 0.000 1.401 110 T CA 0.514 62.635 62.100 0.035 0.000 1.028 110 T CB 1.319 70.212 68.868 0.042 0.000 1.317 110 T HN 0.788 nan 8.240 nan 0.000 0.495 111 G N 0.847 109.641 108.800 -0.009 0.000 2.510 111 G HA2 0.219 4.179 3.960 0.000 0.000 0.212 111 G HA3 0.219 4.179 3.960 0.000 0.000 0.212 111 G C 1.085 175.984 174.900 -0.002 0.000 1.151 111 G CA 0.307 45.415 45.100 0.014 0.000 0.817 111 G HN 0.675 nan 8.290 nan 0.000 0.534 112 I N -0.463 120.075 120.570 -0.054 0.000 4.471 112 I HA 0.290 4.460 4.170 0.000 0.000 0.326 112 I C 1.634 177.594 176.117 -0.261 0.000 1.300 112 I CA 0.365 61.612 61.300 -0.089 0.000 1.237 112 I CB 0.609 38.605 38.000 -0.008 0.000 1.195 112 I HN 0.336 nan 8.210 nan 0.000 0.427 113 G N 1.682 110.184 108.800 -0.497 0.000 2.528 113 G HA2 -0.278 3.682 3.960 0.000 0.000 0.262 113 G HA3 -0.278 3.682 3.960 0.000 0.000 0.262 113 G C 0.585 174.773 174.900 -1.187 0.000 1.200 113 G CA -0.160 44.224 45.100 -1.194 0.000 0.951 113 G HN 0.512 nan 8.290 nan 0.000 0.566 114 G N -0.583 107.709 108.800 -0.847 0.000 3.316 114 G HA2 0.496 4.456 3.960 0.000 0.000 0.255 114 G HA3 0.496 4.456 3.960 0.000 0.000 0.255 114 G C 1.176 176.025 174.900 -0.085 0.000 0.880 114 G CA 0.660 45.657 45.100 -0.172 0.000 1.956 114 G HN 0.961 nan 8.290 nan 0.000 0.634 115 L N 1.078 122.235 121.223 -0.110 0.000 2.083 115 L HA -0.006 4.334 4.340 0.000 0.000 0.209 115 L C 2.746 179.599 176.870 -0.029 0.000 1.083 115 L CA 1.816 56.621 54.840 -0.057 0.000 0.752 115 L CB -0.144 41.891 42.059 -0.040 0.000 0.899 115 L HN 0.367 nan 8.230 nan 0.000 0.433 116 K N -0.711 119.683 120.400 -0.011 0.000 2.044 116 K HA -0.158 4.162 4.320 0.000 0.000 0.210 116 K C 1.839 178.441 176.600 0.004 0.000 1.049 116 K CA 2.271 58.555 56.287 -0.005 0.000 0.927 116 K CB -0.745 31.766 32.500 0.018 0.000 0.713 116 K HN 0.241 nan 8.250 nan 0.000 0.443 117 V N 0.974 120.902 119.914 0.023 0.000 2.343 117 V HA -0.221 3.899 4.120 0.000 0.000 0.247 117 V C 2.402 178.505 176.094 0.015 0.000 1.051 117 V CA 1.872 64.191 62.300 0.032 0.000 1.036 117 V CB -0.460 31.398 31.823 0.058 0.000 0.654 117 V HN 0.326 nan 8.190 nan 0.000 0.451 118 L N -0.256 120.968 121.223 0.002 0.000 2.012 118 L HA -0.231 4.109 4.340 0.000 0.000 0.210 118 L C 2.693 179.553 176.870 -0.016 0.000 1.073 118 L CA 1.898 56.733 54.840 -0.009 0.000 0.748 118 L CB -0.305 41.741 42.059 -0.022 0.000 0.891 118 L HN 0.423 nan 8.230 nan 0.000 0.431 119 E N -0.583 119.603 120.200 -0.024 0.000 2.047 119 E HA -0.218 4.132 4.350 0.000 0.000 0.191 119 E C 1.747 178.333 176.600 -0.022 0.000 0.987 119 E CA 1.301 57.681 56.400 -0.032 0.000 0.799 119 E CB -0.118 29.551 29.700 -0.053 0.000 0.752 119 E HN 0.486 nan 8.360 nan 0.000 0.449 120 D N 0.663 121.055 120.400 -0.012 0.000 2.117 120 D HA -0.142 4.498 4.640 0.000 0.000 0.197 120 D C 2.056 178.356 176.300 -0.000 0.000 0.987 120 D CA 0.940 54.939 54.000 -0.003 0.000 0.829 120 D CB -0.136 40.669 40.800 0.010 0.000 0.961 120 D HN 0.070 nan 8.370 nan 0.000 0.460 121 Q N 0.015 119.815 119.800 0.001 0.000 2.172 121 Q HA -0.107 4.233 4.340 0.000 0.000 0.200 121 Q C 2.086 178.081 176.000 -0.007 0.000 0.964 121 Q CA 0.771 56.574 55.803 -0.001 0.000 0.855 121 Q CB -0.250 28.490 28.738 0.003 0.000 0.918 121 Q HN 0.293 nan 8.270 nan 0.000 0.444 122 Q N 0.371 120.164 119.800 -0.011 0.000 2.119 122 Q HA -0.066 4.274 4.340 0.000 0.000 0.201 122 Q C 1.744 177.736 176.000 -0.014 0.000 0.972 122 Q CA 1.830 57.625 55.803 -0.014 0.000 0.847 122 Q CB -0.285 28.442 28.738 -0.019 0.000 0.903 122 Q HN 0.279 nan 8.270 nan 0.000 0.433 123 T N 0.727 115.273 114.554 -0.013 0.000 2.746 123 T HA -0.075 4.276 4.350 0.000 0.000 0.267 123 T C 1.718 176.414 174.700 -0.008 0.000 1.039 123 T CA 1.443 63.537 62.100 -0.011 0.000 1.142 123 T CB -0.207 68.655 68.868 -0.010 0.000 0.866 123 T HN 0.270 nan 8.240 nan 0.000 0.444 124 I N 0.640 121.206 120.570 -0.007 0.000 2.202 124 I HA -0.103 4.067 4.170 0.000 0.000 0.242 124 I C 2.378 178.490 176.117 -0.009 0.000 1.091 124 I CA 0.949 62.245 61.300 -0.007 0.000 1.368 124 I CB -0.353 37.644 38.000 -0.006 0.000 1.058 124 I HN 0.187 nan 8.210 nan 0.000 0.410 125 L N 0.704 121.920 121.223 -0.011 0.000 2.012 125 L HA -0.246 4.094 4.340 0.000 0.000 0.210 125 L C 2.453 179.316 176.870 -0.012 0.000 1.073 125 L CA 1.715 56.547 54.840 -0.013 0.000 0.748 125 L CB -0.151 41.900 42.059 -0.014 0.000 0.891 125 L HN 0.186 nan 8.230 nan 0.000 0.431 126 L N -0.503 120.713 121.223 -0.011 0.000 2.141 126 L HA -0.189 4.151 4.340 0.000 0.000 0.209 126 L C 2.076 178.941 176.870 -0.009 0.000 1.094 126 L CA 1.444 56.277 54.840 -0.010 0.000 0.763 126 L CB -0.496 41.556 42.059 -0.011 0.000 0.908 126 L HN 0.390 nan 8.230 nan 0.000 0.437 127 D N -0.647 119.748 120.400 -0.008 0.000 2.262 127 D HA -0.091 4.549 4.640 0.000 0.000 0.212 127 D C 1.987 178.283 176.300 -0.006 0.000 0.964 127 D CA 0.898 54.894 54.000 -0.006 0.000 0.875 127 D CB 0.409 41.206 40.800 -0.005 0.000 0.996 127 D HN -0.092 nan 8.370 nan 0.000 0.497 128 K N -0.490 119.906 120.400 -0.008 0.000 2.391 128 K HA 0.395 4.715 4.320 0.000 0.000 0.197 128 K C 0.625 177.219 176.600 -0.010 0.000 1.087 128 K CA 0.564 56.846 56.287 -0.008 0.000 1.012 128 K CB 1.431 33.926 32.500 -0.008 0.000 0.925 128 K HN 0.202 nan 8.250 nan 0.000 0.547 129 G N 2.307 111.101 108.800 -0.011 0.000 2.587 129 G HA2 -0.131 3.829 3.960 0.000 0.000 0.686 129 G HA3 -0.131 3.829 3.960 0.000 0.000 0.686 129 G C -2.305 172.585 174.900 -0.016 0.000 1.236 129 G CA -0.466 44.626 45.100 -0.013 0.000 0.820 129 G HN -0.180 nan 8.290 nan 0.000 0.645 130 P HA -0.150 nan 4.420 nan 0.000 0.219 130 P C 1.973 179.258 177.300 -0.025 0.000 1.146 130 P CA 2.219 65.307 63.100 -0.020 0.000 0.808 130 P CB -0.136 31.553 31.700 -0.018 0.000 0.779 131 S N -0.627 115.059 115.700 -0.024 0.000 2.442 131 S HA -0.061 4.410 4.470 0.000 0.000 0.236 131 S C 1.868 176.448 174.600 -0.034 0.000 1.007 131 S CA 0.480 58.662 58.200 -0.029 0.000 0.965 131 S CB -0.713 62.473 63.200 -0.024 0.000 0.773 131 S HN 0.032 nan 8.310 nan 0.000 0.504 132 R N 0.235 120.717 120.500 -0.029 0.000 2.317 132 R HA 0.311 4.651 4.340 0.000 0.000 0.208 132 R C 0.252 176.531 176.300 -0.034 0.000 0.914 132 R CA -0.119 55.964 56.100 -0.029 0.000 1.060 132 R CB -1.241 29.047 30.300 -0.019 0.000 1.015 132 R HN 0.409 nan 8.270 nan 0.000 0.498 133 C N 1.559 120.836 119.300 -0.038 0.000 2.676 133 C HA 0.123 4.583 4.460 0.000 0.000 0.416 133 C C 1.521 176.471 174.990 -0.068 0.000 1.299 133 C CA -0.477 58.517 59.018 -0.039 0.000 2.048 133 C CB 0.696 28.416 27.740 -0.033 0.000 2.713 133 C HN 0.341 nan 8.230 nan 0.000 0.624 134 S N 3.759 119.421 115.700 -0.063 0.000 2.549 134 S HA 0.109 4.579 4.470 0.000 0.000 0.286 134 S C -0.675 173.797 174.600 -0.213 0.000 1.314 134 S CA -0.744 57.383 58.200 -0.122 0.000 1.062 134 S CB 0.612 63.801 63.200 -0.019 0.000 0.865 134 S HN 0.718 nan 8.310 nan 0.000 0.498 135 P HA 0.033 nan 4.420 nan 0.000 0.237 135 P C 0.221 177.281 177.300 -0.400 0.000 1.178 135 P CA 0.755 63.569 63.100 -0.477 0.000 0.766 135 P CB -0.066 31.242 31.700 -0.653 0.000 0.876 136 F N -1.453 118.501 119.950 0.006 0.000 2.664 136 F HA 0.338 4.865 4.527 0.000 0.000 0.303 136 F C 2.392 178.199 175.800 0.011 0.000 1.092 136 F CA -0.530 57.475 58.000 0.008 0.000 1.305 136 F CB -0.903 38.101 39.000 0.007 0.000 1.054 136 F HN -0.192 nan 8.300 nan 0.000 0.565 137 M N 0.329 119.993 119.600 0.106 0.000 2.082 137 M HA -0.240 4.240 4.480 0.000 0.000 0.258 137 M C 2.020 178.369 176.300 0.082 0.000 1.071 137 M CA 2.133 57.479 55.300 0.077 0.000 1.103 137 M CB -0.202 32.414 32.600 0.028 0.000 1.307 137 M HN 0.072 nan 8.290 nan 0.000 0.409 138 I N 1.154 121.764 120.570 0.067 0.000 2.127 138 I HA -0.169 4.001 4.170 0.000 0.000 0.241 138 I C -0.577 175.590 176.117 0.084 0.000 1.075 138 I CA 1.575 62.913 61.300 0.064 0.000 1.334 138 I CB -3.159 34.869 38.000 0.046 0.000 1.040 138 I HN 0.286 nan 8.210 nan 0.000 0.405 139 P HA -0.069 nan 4.420 nan 0.000 0.242 139 P C 1.479 178.827 177.300 0.081 0.000 1.197 139 P CA 1.210 64.364 63.100 0.090 0.000 0.765 139 P CB 0.081 31.840 31.700 0.098 0.000 0.936 140 M N -1.779 117.882 119.600 0.103 0.000 2.449 140 M HA 0.143 4.623 4.480 0.000 0.000 0.262 140 M C 1.847 178.256 176.300 0.182 0.000 1.152 140 M CA 0.584 55.939 55.300 0.093 0.000 1.104 140 M CB -0.026 32.625 32.600 0.084 0.000 1.416 140 M HN -0.097 nan 8.290 nan 0.000 0.519 141 M N 1.097 120.793 119.600 0.159 0.000 2.556 141 M HA 0.279 4.759 4.480 0.000 0.000 0.264 141 M C 0.867 177.250 176.300 0.139 0.000 1.163 141 M CA 0.698 56.086 55.300 0.148 0.000 1.186 141 M CB -0.846 31.794 32.600 0.067 0.000 1.321 141 M HN 0.091 nan 8.290 nan 0.000 0.485 142 I N 0.411 121.058 120.570 0.129 0.000 2.775 142 I HA 0.246 4.416 4.170 0.000 0.000 0.290 142 I C 1.367 177.597 176.117 0.188 0.000 1.203 142 I CA -0.025 61.337 61.300 0.105 0.000 1.433 142 I CB 0.312 38.360 38.000 0.080 0.000 1.354 142 I HN 0.395 nan 8.210 nan 0.000 0.579 143 A N 5.687 128.555 122.820 0.080 0.000 1.948 143 A HA -0.254 4.066 4.320 0.000 0.000 0.220 143 A C 1.954 179.677 177.584 0.231 0.000 1.177 143 A CA 2.137 54.233 52.037 0.099 0.000 0.636 143 A CB -1.000 18.002 19.000 0.003 0.000 0.815 143 A HN 0.980 nan 8.150 nan 0.000 0.449 144 N N -0.581 118.207 118.700 0.147 0.000 2.571 144 N HA -0.088 4.652 4.740 0.000 0.000 0.189 144 N C 1.147 176.721 175.510 0.107 0.000 1.154 144 N CA 0.950 54.068 53.050 0.113 0.000 0.907 144 N CB -0.402 38.125 38.487 0.067 0.000 0.977 144 N HN 0.356 nan 8.380 nan 0.000 0.449 145 M N 0.711 120.399 119.600 0.147 0.000 2.296 145 M HA 0.064 4.544 4.480 0.000 0.000 0.265 145 M C 2.195 178.457 176.300 -0.063 0.000 1.064 145 M CA 0.725 56.049 55.300 0.041 0.000 1.109 145 M CB -1.091 31.532 32.600 0.038 0.000 1.396 145 M HN 0.306 nan 8.290 nan 0.000 0.430 146 A N -0.092 122.702 122.820 -0.043 0.000 1.877 146 A HA -0.122 4.198 4.320 0.000 0.000 0.216 146 A C 2.531 180.099 177.584 -0.027 0.000 1.186 146 A CA 2.182 54.156 52.037 -0.106 0.000 0.620 146 A CB -0.824 18.191 19.000 0.025 0.000 0.822 146 A HN 0.457 nan 8.150 nan 0.000 0.443 147 S N -0.462 115.252 115.700 0.023 0.000 2.368 147 S HA -0.041 4.429 4.470 0.000 0.000 0.225 147 S C 2.078 176.683 174.600 0.007 0.000 1.030 147 S CA 1.124 59.335 58.200 0.018 0.000 0.999 147 S CB -0.671 62.548 63.200 0.031 0.000 0.844 147 S HN 0.770 nan 8.310 nan 0.000 0.459 148 G N 1.599 110.403 108.800 0.007 0.000 2.421 148 G HA2 -0.127 3.833 3.960 0.000 0.000 0.216 148 G HA3 -0.127 3.833 3.960 0.000 0.000 0.216 148 G C 1.331 176.225 174.900 -0.010 0.000 1.171 148 G CA 0.580 45.681 45.100 0.003 0.000 0.775 148 G HN 0.430 nan 8.290 nan 0.000 0.543 149 L N 0.371 121.576 121.223 -0.030 0.000 2.141 149 L HA -0.048 4.292 4.340 0.000 0.000 0.209 149 L C 3.148 180.006 176.870 -0.021 0.000 1.094 149 L CA 1.318 56.136 54.840 -0.036 0.000 0.763 149 L CB -0.598 41.418 42.059 -0.072 0.000 0.908 149 L HN 0.167 nan 8.230 nan 0.000 0.437 150 T N -0.102 114.441 114.554 -0.020 0.000 2.777 150 T HA -0.141 4.209 4.350 0.000 0.000 0.266 150 T C 2.037 176.739 174.700 0.002 0.000 1.040 150 T CA 1.284 63.381 62.100 -0.006 0.000 1.141 150 T CB -0.161 68.705 68.868 -0.004 0.000 0.868 150 T HN 0.438 nan 8.240 nan 0.000 0.444 151 A N 1.192 124.014 122.820 0.002 0.000 1.902 151 A HA -0.028 4.292 4.320 0.000 0.000 0.217 151 A C 2.271 179.859 177.584 0.006 0.000 1.181 151 A CA 1.241 53.282 52.037 0.007 0.000 0.623 151 A CB -0.777 18.228 19.000 0.008 0.000 0.818 151 A HN 0.525 nan 8.150 nan 0.000 0.443 152 I N -0.021 120.550 120.570 0.003 0.000 2.226 152 I HA -0.260 3.910 4.170 0.000 0.000 0.245 152 I C 2.537 178.657 176.117 0.005 0.000 1.100 152 I CA 1.480 62.781 61.300 0.002 0.000 1.374 152 I CB -0.449 37.550 38.000 -0.003 0.000 1.057 152 I HN 0.489 nan 8.210 nan 0.000 0.413 153 N N 1.419 120.122 118.700 0.006 0.000 2.120 153 N HA -0.143 4.597 4.740 0.000 0.000 0.188 153 N C 1.836 177.355 175.510 0.015 0.000 1.024 153 N CA 1.395 54.452 53.050 0.012 0.000 0.852 153 N CB 0.110 38.608 38.487 0.018 0.000 1.003 153 N HN 0.330 nan 8.380 nan 0.000 0.424 154 L N -0.724 120.507 121.223 0.014 0.000 2.529 154 L HA 0.221 4.561 4.340 0.000 0.000 0.223 154 L C 1.251 178.129 176.870 0.013 0.000 1.113 154 L CA 0.476 55.325 54.840 0.015 0.000 0.861 154 L CB 0.034 42.102 42.059 0.014 0.000 1.012 154 L HN 0.274 nan 8.230 nan 0.000 0.461 155 G N 0.769 109.576 108.800 0.012 0.000 2.137 155 G HA2 -0.246 3.714 3.960 0.000 0.000 0.237 155 G HA3 -0.246 3.714 3.960 0.000 0.000 0.237 155 G C 0.281 175.188 174.900 0.012 0.000 1.002 155 G CA 0.035 45.142 45.100 0.011 0.000 0.702 155 G HN 0.455 nan 8.290 nan 0.000 0.515 156 A N -0.130 122.697 122.820 0.013 0.000 2.347 156 A HA 0.683 5.003 4.320 0.000 0.000 0.287 156 A C 1.022 178.615 177.584 0.015 0.000 1.199 156 A CA 0.354 52.400 52.037 0.015 0.000 0.851 156 A CB 0.340 19.349 19.000 0.015 0.000 1.118 156 A HN 0.393 nan 8.150 nan 0.000 0.525 157 K N 2.705 123.114 120.400 0.016 0.000 2.373 157 K HA 0.154 4.474 4.320 0.000 0.000 0.202 157 K C 1.077 177.689 176.600 0.021 0.000 1.025 157 K CA 0.268 56.565 56.287 0.017 0.000 1.115 157 K CB 0.909 33.418 32.500 0.015 0.000 0.858 157 K HN 0.786 nan 8.250 nan 0.000 0.525 158 G N 2.233 111.048 108.800 0.024 0.000 2.508 158 G HA2 0.190 4.150 3.960 0.000 0.000 0.278 158 G HA3 0.190 4.150 3.960 0.000 0.000 0.278 158 G C -2.501 172.416 174.900 0.027 0.000 1.389 158 G CA -1.079 44.039 45.100 0.031 0.000 1.050 158 G HN -0.108 nan 8.290 nan 0.000 0.522 159 P HA 0.022 nan 4.420 nan 0.000 0.261 159 P C -0.548 176.761 177.300 0.015 0.000 1.173 159 P CA 0.355 63.466 63.100 0.018 0.000 0.760 159 P CB 0.376 32.088 31.700 0.019 0.000 0.783 160 N N 3.414 122.120 118.700 0.010 0.000 2.531 160 N HA 0.214 4.954 4.740 0.000 0.000 0.268 160 N C -1.290 174.226 175.510 0.010 0.000 1.023 160 N CA -0.263 52.794 53.050 0.012 0.000 0.896 160 N CB 0.503 38.997 38.487 0.013 0.000 1.233 160 N HN 0.271 nan 8.380 nan 0.000 0.512 161 N N 1.556 120.263 118.700 0.012 0.000 2.629 161 N HA 0.543 5.283 4.740 0.000 0.000 0.279 161 N C -1.671 173.850 175.510 0.019 0.000 1.344 161 N CA -0.341 52.715 53.050 0.011 0.000 0.789 161 N CB 2.070 40.559 38.487 0.004 0.000 1.508 161 N HN 0.490 nan 8.380 nan 0.000 0.516 162 C N 1.125 120.437 119.300 0.020 0.000 2.716 162 C HA 0.643 5.103 4.460 0.000 0.000 0.366 162 C C -0.758 174.242 174.990 0.017 0.000 1.073 162 C CA -0.394 58.641 59.018 0.028 0.000 1.260 162 C CB -0.391 27.376 27.740 0.045 0.000 1.755 162 C HN 0.734 nan 8.230 nan 0.000 0.475 163 T N 2.798 117.359 114.554 0.011 0.000 2.767 163 T HA 0.660 5.010 4.350 0.000 0.000 0.284 163 T C -0.601 174.089 174.700 -0.017 0.000 0.973 163 T CA -0.541 61.555 62.100 -0.006 0.000 0.996 163 T CB 1.339 70.202 68.868 -0.009 0.000 0.927 163 T HN 0.666 nan 8.240 nan 0.000 0.456 164 V N 4.418 124.313 119.914 -0.032 0.000 2.305 164 V HA 0.453 4.573 4.120 0.000 0.000 0.275 164 V C 0.610 176.654 176.094 -0.082 0.000 1.020 164 V CA -0.692 61.588 62.300 -0.034 0.000 0.811 164 V CB 0.889 32.705 31.823 -0.012 0.000 1.031 164 V HN 1.187 nan 8.190 nan 0.000 0.439 165 T N 0.987 115.464 114.554 -0.127 0.000 3.584 165 T HA 0.687 5.037 4.350 0.000 0.000 0.259 165 T C 0.647 175.305 174.700 -0.070 0.000 1.009 165 T CA 0.438 62.357 62.100 -0.301 0.000 1.103 165 T CB 0.813 69.319 68.868 -0.603 0.000 1.099 165 T HN 1.355 nan 8.240 nan 0.000 0.539 166 A N 0.885 123.732 122.820 0.045 0.000 5.391 166 A HA -0.319 4.001 4.320 0.000 0.000 0.315 166 A C 2.002 179.610 177.584 0.041 0.000 1.874 166 A CA 1.343 53.450 52.037 0.117 0.000 0.714 166 A CB -2.048 17.110 19.000 0.263 0.000 1.335 166 A HN 1.151 nan 8.150 nan 0.000 0.382 167 C N 0.059 119.363 119.300 0.007 0.000 2.409 167 C HA 0.260 4.720 4.460 0.000 0.000 0.288 167 C C 2.760 177.753 174.990 0.006 0.000 1.395 167 C CA 1.448 60.487 59.018 0.035 0.000 1.792 167 C CB -1.965 25.800 27.740 0.042 0.000 1.847 167 C HN 1.528 nan 8.230 nan 0.000 0.534 168 A N -0.027 122.773 122.820 -0.034 0.000 2.348 168 A HA 0.580 4.900 4.320 0.000 0.000 0.224 168 A C 2.128 179.688 177.584 -0.040 0.000 1.227 168 A CA 0.850 52.856 52.037 -0.052 0.000 0.885 168 A CB -0.373 18.611 19.000 -0.027 0.000 0.933 168 A HN 0.444 nan 8.150 nan 0.000 0.506 169 A N 0.230 123.029 122.820 -0.035 0.000 1.892 169 A HA -0.025 4.295 4.320 0.000 0.000 0.218 169 A C 2.301 179.876 177.584 -0.016 0.000 1.188 169 A CA 2.126 54.145 52.037 -0.030 0.000 0.631 169 A CB -1.254 17.738 19.000 -0.013 0.000 0.822 169 A HN 0.761 nan 8.150 nan 0.000 0.447 170 G N -1.431 107.364 108.800 -0.009 0.000 2.422 170 G HA2 -0.043 3.917 3.960 0.000 0.000 0.218 170 G HA3 -0.043 3.917 3.960 0.000 0.000 0.218 170 G C 1.772 176.659 174.900 -0.022 0.000 1.140 170 G CA 1.246 46.340 45.100 -0.010 0.000 0.775 170 G HN 0.505 nan 8.290 nan 0.000 0.545 171 S N 0.806 116.492 115.700 -0.022 0.000 2.371 171 S HA -0.071 4.399 4.470 0.000 0.000 0.224 171 S C 2.257 176.823 174.600 -0.058 0.000 1.029 171 S CA 0.582 58.765 58.200 -0.029 0.000 0.978 171 S CB -0.217 62.974 63.200 -0.014 0.000 0.833 171 S HN 0.335 nan 8.310 nan 0.000 0.466 172 N N 1.778 120.475 118.700 -0.005 0.000 2.244 172 N HA 0.012 4.752 4.740 0.000 0.000 0.183 172 N C 1.825 177.300 175.510 -0.058 0.000 1.016 172 N CA 1.145 54.215 53.050 0.035 0.000 0.866 172 N CB -0.385 38.136 38.487 0.057 0.000 0.980 172 N HN 0.404 nan 8.380 nan 0.000 0.430 173 A N 1.288 124.078 122.820 -0.049 0.000 1.877 173 A HA -0.059 4.261 4.320 0.000 0.000 0.216 173 A C 2.304 179.841 177.584 -0.078 0.000 1.186 173 A CA 0.881 52.893 52.037 -0.042 0.000 0.620 173 A CB -0.585 18.405 19.000 -0.016 0.000 0.822 173 A HN 0.196 nan 8.150 nan 0.000 0.443 174 I N -0.385 120.124 120.570 -0.103 0.000 2.252 174 I HA -0.165 4.005 4.170 0.000 0.000 0.245 174 I C 2.679 178.659 176.117 -0.229 0.000 1.102 174 I CA 1.027 62.265 61.300 -0.104 0.000 1.385 174 I CB -0.592 37.376 38.000 -0.052 0.000 1.064 174 I HN 0.399 nan 8.210 nan 0.000 0.414 175 G N 0.515 108.983 108.800 -0.554 0.000 2.418 175 G HA2 -0.231 3.729 3.960 0.000 0.000 0.217 175 G HA3 -0.231 3.729 3.960 0.000 0.000 0.217 175 G C 1.238 175.757 174.900 -0.635 0.000 1.158 175 G CA 0.871 45.192 45.100 -1.299 0.000 0.771 175 G HN 0.269 nan 8.290 nan 0.000 0.545 176 D N 0.918 121.148 120.400 -0.283 0.000 2.144 176 D HA 0.016 4.656 4.640 0.000 0.000 0.200 176 D C 2.774 179.089 176.300 0.025 0.000 0.978 176 D CA 1.094 55.106 54.000 0.020 0.000 0.833 176 D CB -0.376 40.454 40.800 0.050 0.000 0.961 176 D HN 0.303 nan 8.370 nan 0.000 0.470 177 A N 0.434 123.257 122.820 0.005 0.000 1.930 177 A HA -0.157 4.163 4.320 0.000 0.000 0.217 177 A C 2.030 179.677 177.584 0.105 0.000 1.175 177 A CA 0.821 52.886 52.037 0.047 0.000 0.627 177 A CB -0.902 18.120 19.000 0.037 0.000 0.815 177 A HN 0.242 nan 8.150 nan 0.000 0.443 178 F N 1.091 120.998 119.950 -0.071 0.000 2.126 178 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 178 F C 2.275 178.085 175.800 0.018 0.000 1.096 178 F CA 1.795 59.769 58.000 -0.044 0.000 1.255 178 F CB -0.224 38.708 39.000 -0.114 0.000 0.997 178 F HN 0.077 nan 8.300 nan 0.000 0.479 179 R N 0.691 121.136 120.500 -0.092 0.000 2.096 179 R HA -0.102 4.238 4.340 0.000 0.000 0.235 179 R C 2.448 178.724 176.300 -0.039 0.000 1.127 179 R CA 1.416 57.428 56.100 -0.146 0.000 0.968 179 R CB -1.374 28.944 30.300 0.030 0.000 0.861 179 R HN 0.400 nan 8.270 nan 0.000 0.440 180 L N 0.299 121.546 121.223 0.039 0.000 2.042 180 L HA -0.169 4.171 4.340 0.000 0.000 0.210 180 L C 2.422 179.347 176.870 0.092 0.000 1.076 180 L CA 1.114 56.028 54.840 0.124 0.000 0.749 180 L CB -0.499 41.619 42.059 0.098 0.000 0.893 180 L HN -0.057 nan 8.230 nan 0.000 0.432 181 V N -0.909 119.021 119.914 0.027 0.000 2.379 181 V HA -0.248 3.872 4.120 0.000 0.000 0.245 181 V C 2.394 178.454 176.094 -0.057 0.000 1.044 181 V CA 1.427 63.732 62.300 0.008 0.000 1.036 181 V CB -0.538 31.314 31.823 0.049 0.000 0.664 181 V HN 0.457 nan 8.190 nan 0.000 0.453 182 Q N 0.348 120.053 119.800 -0.159 0.000 2.096 182 Q HA -0.193 4.147 4.340 0.000 0.000 0.204 182 Q C 1.651 177.575 176.000 -0.127 0.000 0.982 182 Q CA 1.513 57.192 55.803 -0.207 0.000 0.850 182 Q CB -0.207 28.282 28.738 -0.416 0.000 0.901 182 Q HN 0.622 nan 8.270 nan 0.000 0.422 183 N N -0.984 117.667 118.700 -0.083 0.000 2.383 183 N HA 0.044 4.784 4.740 0.000 0.000 0.192 183 N C 0.622 175.952 175.510 -0.300 0.000 1.141 183 N CA 0.901 53.895 53.050 -0.095 0.000 0.851 183 N CB 1.122 39.675 38.487 0.109 0.000 0.976 183 N HN 0.377 nan 8.380 nan 0.000 0.465 184 G N 0.569 109.243 108.800 -0.210 0.000 2.143 184 G HA2 -0.323 3.637 3.960 0.000 0.000 0.248 184 G HA3 -0.323 3.637 3.960 0.000 0.000 0.248 184 G C 0.360 175.077 174.900 -0.305 0.000 0.991 184 G CA 0.124 45.073 45.100 -0.251 0.000 0.689 184 G HN 0.410 nan 8.290 nan 0.000 0.522 185 Y N 0.289 120.578 120.300 -0.019 0.000 2.511 185 Y HA 0.550 5.100 4.550 -0.000 0.000 0.279 185 Y C 1.559 177.456 175.900 -0.006 0.000 1.157 185 Y CA 0.895 58.989 58.100 -0.011 0.000 1.300 185 Y CB 0.494 38.948 38.460 -0.011 0.000 1.052 185 Y HN 0.836 nan 8.280 nan 0.000 0.529 186 A N -0.813 122.063 122.820 0.093 0.000 2.589 186 A HA 0.515 4.835 4.320 0.000 0.000 0.296 186 A C 0.277 177.879 177.584 0.031 0.000 1.062 186 A CA -0.792 51.282 52.037 0.063 0.000 0.686 186 A CB 1.286 20.329 19.000 0.073 0.000 1.282 186 A HN -0.103 nan 8.150 nan 0.000 0.404 187 K N 0.072 120.486 120.400 0.023 0.000 2.262 187 K HA 0.426 4.746 4.320 0.000 0.000 0.200 187 K C 0.600 177.213 176.600 0.022 0.000 1.049 187 K CA 1.433 57.728 56.287 0.014 0.000 0.979 187 K CB 0.549 33.053 32.500 0.008 0.000 0.773 187 K HN 1.069 nan 8.250 nan 0.000 0.474 188 A N 0.709 123.547 122.820 0.029 0.000 2.574 188 A HA 0.726 5.046 4.320 0.000 0.000 0.297 188 A C -1.213 176.393 177.584 0.037 0.000 1.062 188 A CA -0.697 51.359 52.037 0.033 0.000 0.686 188 A CB 1.564 20.579 19.000 0.025 0.000 1.285 188 A HN -0.033 nan 8.150 nan 0.000 0.403 189 M N 1.943 121.567 119.600 0.041 0.000 2.326 189 M HA 0.429 4.909 4.480 0.000 0.000 0.292 189 M C -1.217 175.100 176.300 0.029 0.000 1.081 189 M CA -0.277 55.046 55.300 0.038 0.000 0.919 189 M CB 1.345 33.974 32.600 0.047 0.000 1.634 189 M HN 0.608 nan 8.290 nan 0.000 0.451 190 I N 3.918 124.500 120.570 0.021 0.000 2.301 190 I HA 0.393 4.563 4.170 0.000 0.000 0.292 190 I C -0.026 176.097 176.117 0.009 0.000 1.046 190 I CA -0.203 61.104 61.300 0.011 0.000 1.282 190 I CB 0.383 38.388 38.000 0.009 0.000 1.409 190 I HN 0.772 nan 8.210 nan 0.000 0.484 191 C N 3.329 122.631 119.300 0.004 0.000 3.171 191 C HA 1.061 5.521 4.460 0.000 0.000 0.308 191 C C 0.208 175.192 174.990 -0.011 0.000 1.334 191 C CA -0.137 58.881 59.018 0.001 0.000 1.473 191 C CB 1.020 28.764 27.740 0.006 0.000 1.866 191 C HN 1.040 nan 8.230 nan 0.000 0.465 192 G N -0.041 108.753 108.800 -0.010 0.000 2.441 192 G HA2 0.645 4.605 3.960 0.000 0.000 0.222 192 G HA3 0.645 4.605 3.960 0.000 0.000 0.222 192 G C -0.611 174.286 174.900 -0.005 0.000 1.254 192 G CA 0.359 45.449 45.100 -0.017 0.000 0.959 192 G HN 2.192 nan 8.290 nan 0.000 0.474 193 G N -1.628 107.168 108.800 -0.006 0.000 2.672 193 G HA2 0.805 4.765 3.960 0.000 0.000 0.292 193 G HA3 0.805 4.765 3.960 0.000 0.000 0.292 193 G C -1.220 173.698 174.900 0.030 0.000 1.375 193 G CA 0.643 45.753 45.100 0.017 0.000 0.890 193 G HN 1.397 nan 8.290 nan 0.000 0.476 194 T N -1.046 113.558 114.554 0.085 0.000 2.889 194 T HA 0.661 5.011 4.350 0.000 0.000 0.315 194 T C -1.861 172.952 174.700 0.188 0.000 1.291 194 T CA -0.419 61.769 62.100 0.146 0.000 1.028 194 T CB 2.226 71.230 68.868 0.225 0.000 1.235 194 T HN 0.732 nan 8.240 nan 0.000 0.491 195 E N 0.982 121.322 120.200 0.233 0.000 2.381 195 E HA 0.673 5.023 4.350 0.000 0.000 0.286 195 E C -1.567 175.226 176.600 0.322 0.000 0.960 195 E CA -0.458 56.063 56.400 0.203 0.000 0.793 195 E CB 1.841 31.591 29.700 0.085 0.000 1.225 195 E HN 0.821 nan 8.360 nan 0.000 0.420 196 A N 2.913 125.894 122.820 0.269 0.000 3.409 196 A HA 0.664 4.984 4.320 0.000 0.000 0.282 196 A C -0.241 177.446 177.584 0.171 0.000 1.064 196 A CA 0.205 52.413 52.037 0.284 0.000 0.889 196 A CB 0.337 19.455 19.000 0.196 0.000 1.251 196 A HN 0.559 nan 8.150 nan 0.000 0.538 197 A N 0.910 123.833 122.820 0.172 0.000 2.630 197 A HA 0.498 4.818 4.320 0.000 0.000 0.290 197 A C 0.255 177.985 177.584 0.244 0.000 1.267 197 A CA -0.003 52.132 52.037 0.163 0.000 0.950 197 A CB -0.443 18.654 19.000 0.161 0.000 1.144 197 A HN 0.575 nan 8.150 nan 0.000 0.527 198 I N 2.765 123.488 120.570 0.255 0.000 2.227 198 I HA 0.151 4.321 4.170 0.000 0.000 0.297 198 I C 0.567 176.792 176.117 0.179 0.000 1.173 198 I CA 0.193 61.683 61.300 0.318 0.000 1.356 198 I CB -0.022 38.149 38.000 0.286 0.000 1.485 198 I HN 0.398 nan 8.210 nan 0.000 0.604 199 T N 1.395 115.944 114.554 -0.008 0.000 2.887 199 T HA 0.446 4.796 4.350 0.000 0.000 0.292 199 T C -2.365 171.837 174.700 -0.831 0.000 1.087 199 T CA -1.945 59.878 62.100 -0.461 0.000 1.009 199 T CB 2.288 71.040 68.868 -0.194 0.000 1.203 199 T HN -0.072 nan 8.240 nan 0.000 0.518 200 P HA -0.019 nan 4.420 nan 0.000 0.215 200 P C 1.627 178.800 177.300 -0.211 0.000 1.153 200 P CA 0.378 63.049 63.100 -0.715 0.000 0.853 200 P CB 0.030 31.436 31.700 -0.490 0.000 0.788 201 L N -0.224 120.905 121.223 -0.157 0.000 2.072 201 L HA -0.115 4.225 4.340 0.000 0.000 0.205 201 L C 2.295 179.171 176.870 0.009 0.000 1.079 201 L CA 2.110 56.914 54.840 -0.059 0.000 0.752 201 L CB -1.411 40.609 42.059 -0.065 0.000 0.906 201 L HN -0.014 nan 8.230 nan 0.000 0.436 202 S N -1.785 113.957 115.700 0.071 0.000 2.356 202 S HA -0.246 4.224 4.470 0.000 0.000 0.223 202 S C 2.100 176.909 174.600 0.348 0.000 1.032 202 S CA 1.226 59.557 58.200 0.218 0.000 1.005 202 S CB -1.152 62.243 63.200 0.325 0.000 0.867 202 S HN 0.436 nan 8.310 nan 0.000 0.449 203 Y N 2.450 122.832 120.300 0.138 0.000 2.224 203 Y HA 0.134 4.684 4.550 0.000 0.000 0.289 203 Y C 2.978 178.947 175.900 0.116 0.000 1.146 203 Y CA 0.254 58.458 58.100 0.172 0.000 1.182 203 Y CB -1.061 37.526 38.460 0.211 0.000 0.983 203 Y HN 0.398 nan 8.280 nan 0.000 0.524 204 A N -0.346 122.584 122.820 0.183 0.000 1.902 204 A HA -0.115 4.205 4.320 0.000 0.000 0.217 204 A C 2.599 180.196 177.584 0.022 0.000 1.181 204 A CA 1.820 53.906 52.037 0.081 0.000 0.623 204 A CB -1.432 17.587 19.000 0.031 0.000 0.818 204 A HN 0.459 nan 8.150 nan 0.000 0.443 205 G N -1.473 107.307 108.800 -0.032 0.000 2.404 205 G HA2 -0.096 3.864 3.960 0.000 0.000 0.215 205 G HA3 -0.096 3.864 3.960 0.000 0.000 0.215 205 G C 1.319 176.091 174.900 -0.213 0.000 1.174 205 G CA 0.995 45.995 45.100 -0.165 0.000 0.780 205 G HN 0.409 nan 8.290 nan 0.000 0.537 206 F N 1.611 121.524 119.950 -0.061 0.000 2.259 206 F HA 0.197 4.724 4.527 0.000 0.000 0.298 206 F C 2.905 178.629 175.800 -0.126 0.000 1.088 206 F CA 0.678 58.605 58.000 -0.120 0.000 1.358 206 F CB -0.130 38.763 39.000 -0.178 0.000 1.040 206 F HN 0.238 nan 8.300 nan 0.000 0.505 207 A N -1.297 121.588 122.820 0.108 0.000 1.897 207 A HA -0.140 4.180 4.320 0.000 0.000 0.215 207 A C 2.351 180.051 177.584 0.193 0.000 1.181 207 A CA 1.637 53.797 52.037 0.207 0.000 0.620 207 A CB -1.094 18.009 19.000 0.172 0.000 0.821 207 A HN 0.271 nan 8.150 nan 0.000 0.443 208 S N -0.199 115.545 115.700 0.074 0.000 2.399 208 S HA -0.021 4.449 4.470 0.000 0.000 0.231 208 S C 1.909 176.529 174.600 0.034 0.000 1.022 208 S CA 1.346 59.570 58.200 0.040 0.000 0.983 208 S CB -0.368 62.826 63.200 -0.009 0.000 0.803 208 S HN 0.779 nan 8.310 nan 0.000 0.480 209 A N 0.894 123.715 122.820 0.001 0.000 2.235 209 A HA 0.223 4.543 4.320 0.000 0.000 0.208 209 A C 0.829 178.415 177.584 0.003 0.000 1.172 209 A CA 0.216 52.240 52.037 -0.021 0.000 0.786 209 A CB -0.283 18.669 19.000 -0.081 0.000 0.804 209 A HN 0.487 nan 8.150 nan 0.000 0.479 210 R N -2.840 117.690 120.500 0.050 0.000 3.651 210 R HA -0.253 4.087 4.340 0.000 0.000 0.292 210 R C 0.948 177.145 176.300 -0.173 0.000 1.161 210 R CA 0.916 57.011 56.100 -0.009 0.000 0.787 210 R CB -2.687 27.628 30.300 0.024 0.000 1.249 210 R HN 0.815 nan 8.270 nan 0.000 0.476 211 A N 0.039 122.775 122.820 -0.141 0.000 2.030 211 A HA 0.230 4.550 4.320 0.000 0.000 0.215 211 A C 1.217 178.533 177.584 -0.447 0.000 1.164 211 A CA 0.283 52.239 52.037 -0.136 0.000 0.697 211 A CB 0.329 19.389 19.000 0.099 0.000 0.827 211 A HN 0.190 nan 8.150 nan 0.000 0.457 212 L N 0.257 121.106 121.223 -0.622 0.000 2.399 212 L HA 0.307 4.647 4.340 0.000 0.000 0.266 212 L C 0.886 177.307 176.870 -0.749 0.000 1.114 212 L CA -0.506 53.854 54.840 -0.801 0.000 0.804 212 L CB 1.342 43.015 42.059 -0.642 0.000 1.146 212 L HN 0.218 nan 8.230 nan 0.000 0.451 213 S N 0.606 116.037 115.700 -0.447 0.000 2.572 213 S HA 0.205 4.675 4.470 0.000 0.000 0.279 213 S C 0.097 174.706 174.600 0.014 0.000 1.341 213 S CA -0.204 57.879 58.200 -0.194 0.000 1.043 213 S CB 0.241 63.520 63.200 0.132 0.000 0.887 213 S HN 0.385 nan 8.310 nan 0.000 0.516 214 F N 2.337 122.364 119.950 0.127 0.000 2.735 214 F HA 0.410 4.937 4.527 -0.000 0.000 0.304 214 F C 1.339 177.283 175.800 0.240 0.000 1.119 214 F CA -0.567 57.523 58.000 0.150 0.000 1.280 214 F CB -0.268 38.770 39.000 0.063 0.000 0.994 214 F HN 0.560 nan 8.300 nan 0.000 0.520 215 R N 1.313 122.086 120.500 0.456 0.000 4.556 215 R HA 0.092 4.432 4.340 0.000 0.000 0.197 215 R C 1.010 177.368 176.300 0.095 0.000 1.791 215 R CA 0.010 56.230 56.100 0.200 0.000 1.526 215 R CB -0.580 29.752 30.300 0.053 0.000 1.410 215 R HN 0.147 nan 8.270 nan 0.000 0.826 216 N N 1.216 120.096 118.700 0.301 0.000 2.364 216 N HA -0.176 4.564 4.740 0.000 0.000 0.183 216 N C 0.732 176.271 175.510 0.049 0.000 1.022 216 N CA 1.279 54.481 53.050 0.254 0.000 0.883 216 N CB 0.124 38.774 38.487 0.272 0.000 0.965 216 N HN 0.622 nan 8.380 nan 0.000 0.438 217 D N -0.368 120.048 120.400 0.028 0.000 2.347 217 D HA -0.091 4.549 4.640 0.000 0.000 0.215 217 D C -0.075 176.206 176.300 -0.032 0.000 0.976 217 D CA 0.609 54.611 54.000 0.004 0.000 0.884 217 D CB 0.061 40.872 40.800 0.018 0.000 0.915 217 D HN 0.004 nan 8.370 nan 0.000 0.526 218 D N 0.149 120.496 120.400 -0.088 0.000 3.118 218 D HA 0.110 4.750 4.640 0.000 0.000 0.286 218 D C -1.812 174.350 176.300 -0.230 0.000 1.255 218 D CA -1.384 52.572 54.000 -0.074 0.000 0.748 218 D CB 1.148 41.950 40.800 0.004 0.000 1.332 218 D HN -0.168 nan 8.370 nan 0.000 0.575 219 P HA -0.163 nan 4.420 nan 0.000 0.216 219 P C 1.778 178.814 177.300 -0.441 0.000 1.150 219 P CA 0.621 63.242 63.100 -0.800 0.000 0.843 219 P CB 0.504 31.839 31.700 -0.607 0.000 0.787 220 L N -1.367 119.678 121.223 -0.295 0.000 2.265 220 L HA -0.138 4.202 4.340 0.000 0.000 0.215 220 L C 1.445 177.958 176.870 -0.594 0.000 1.117 220 L CA 1.488 56.088 54.840 -0.400 0.000 0.782 220 L CB -0.973 40.815 42.059 -0.451 0.000 0.914 220 L HN 0.154 nan 8.230 nan 0.000 0.441 221 H N -2.184 116.813 119.070 -0.122 0.000 2.567 221 H HA 0.324 4.880 4.556 0.000 0.000 0.267 221 H C 1.468 176.746 175.328 -0.084 0.000 1.148 221 H CA 0.341 56.341 56.048 -0.080 0.000 1.031 221 H CB 0.436 30.161 29.762 -0.061 0.000 1.691 221 H HN 0.124 nan 8.280 nan 0.000 0.588 222 A N 0.164 122.940 122.820 -0.073 0.000 1.872 222 A HA -0.039 4.281 4.320 0.000 0.000 0.214 222 A C 1.468 179.078 177.584 0.044 0.000 1.187 222 A CA 0.760 52.781 52.037 -0.027 0.000 0.614 222 A CB -0.125 18.817 19.000 -0.097 0.000 0.826 222 A HN 0.293 nan 8.150 nan 0.000 0.442 223 S N 0.876 116.602 115.700 0.043 0.000 2.416 223 S HA 0.362 4.832 4.470 0.000 0.000 0.302 223 S C 0.198 174.798 174.600 -0.000 0.000 1.120 223 S CA -0.586 57.635 58.200 0.035 0.000 1.067 223 S CB -0.373 62.857 63.200 0.049 0.000 1.057 223 S HN 0.477 nan 8.310 nan 0.000 0.518 224 R N 3.543 124.030 120.500 -0.021 0.000 2.644 224 R HA 0.381 4.721 4.340 0.000 0.000 0.271 224 R C -3.270 172.972 176.300 -0.097 0.000 1.687 224 R CA -1.860 54.225 56.100 -0.026 0.000 1.655 224 R CB 0.221 30.526 30.300 0.007 0.000 1.285 224 R HN 0.264 nan 8.270 nan 0.000 0.643 225 P HA -0.030 nan 4.420 nan 0.000 0.264 225 P C -0.364 176.687 177.300 -0.414 0.000 1.183 225 P CA 0.297 63.113 63.100 -0.474 0.000 0.763 225 P CB 0.031 31.413 31.700 -0.530 0.000 0.807 226 F N -1.225 118.579 119.950 -0.244 0.000 2.748 226 F HA -0.255 4.272 4.527 -0.000 0.000 0.370 226 F C 0.853 176.544 175.800 -0.182 0.000 0.620 226 F CA 0.951 58.753 58.000 -0.330 0.000 1.233 226 F CB -1.975 36.525 39.000 -0.833 0.000 1.708 226 F HN 0.322 nan 8.300 nan 0.000 0.298 227 D N 2.008 122.404 120.400 -0.007 0.000 2.345 227 D HA 0.127 4.767 4.640 0.000 0.000 0.247 227 D C 1.321 177.628 176.300 0.012 0.000 1.108 227 D CA 0.398 54.409 54.000 0.019 0.000 0.894 227 D CB 1.089 41.897 40.800 0.013 0.000 1.203 227 D HN 0.498 nan 8.370 nan 0.000 0.430 228 K N 2.436 122.852 120.400 0.028 0.000 2.280 228 K HA -0.136 4.184 4.320 0.000 0.000 0.202 228 K C 0.356 176.964 176.600 0.012 0.000 1.047 228 K CA 1.186 57.487 56.287 0.024 0.000 0.942 228 K CB 0.241 32.759 32.500 0.030 0.000 0.739 228 K HN 0.264 nan 8.250 nan 0.000 0.457 229 D N 1.834 122.239 120.400 0.009 0.000 2.342 229 D HA 0.009 4.649 4.640 0.000 0.000 0.221 229 D C -0.056 176.243 176.300 -0.001 0.000 1.101 229 D CA -0.072 53.932 54.000 0.006 0.000 0.837 229 D CB 0.183 40.987 40.800 0.008 0.000 0.938 229 D HN 0.386 nan 8.370 nan 0.000 0.508 230 R N 1.588 122.079 120.500 -0.014 0.000 2.679 230 R HA 0.096 4.436 4.340 0.000 0.000 0.268 230 R C 0.025 176.306 176.300 -0.030 0.000 1.044 230 R CA 0.249 56.332 56.100 -0.028 0.000 1.105 230 R CB 0.363 30.626 30.300 -0.061 0.000 0.989 230 R HN -0.177 nan 8.270 nan 0.000 0.447 231 D N 0.610 120.985 120.400 -0.041 0.000 2.865 231 D HA 0.232 4.872 4.640 0.000 0.000 0.347 231 D C -0.028 176.183 176.300 -0.148 0.000 1.498 231 D CA 0.019 53.973 54.000 -0.075 0.000 0.787 231 D CB 0.443 41.208 40.800 -0.058 0.000 1.190 231 D HN 0.910 nan 8.370 nan 0.000 0.445 232 G N 0.422 109.160 108.800 -0.104 0.000 2.362 232 G HA2 0.250 4.210 3.960 0.000 0.000 0.656 232 G HA3 0.250 4.210 3.960 0.000 0.000 0.656 232 G C -0.661 174.207 174.900 -0.053 0.000 1.376 232 G CA -0.713 44.306 45.100 -0.134 0.000 0.971 232 G HN 0.307 nan 8.290 nan 0.000 0.636 233 F N -0.305 119.605 119.950 -0.067 0.000 2.378 233 F HA 0.811 5.338 4.527 -0.000 0.000 0.319 233 F C 0.147 175.914 175.800 -0.054 0.000 1.155 233 F CA -1.386 56.585 58.000 -0.047 0.000 1.157 233 F CB 1.339 40.349 39.000 0.017 0.000 1.252 233 F HN 0.404 nan 8.300 nan 0.000 0.550 234 V N 4.711 124.787 119.914 0.270 0.000 2.378 234 V HA 0.222 4.342 4.120 0.000 0.000 0.288 234 V C 0.180 176.451 176.094 0.294 0.000 1.016 234 V CA -0.819 61.580 62.300 0.163 0.000 0.840 234 V CB 1.178 33.155 31.823 0.257 0.000 0.994 234 V HN 0.979 nan 8.190 nan 0.000 0.431 235 M N 3.812 123.510 119.600 0.163 0.000 2.245 235 M HA 0.515 4.995 4.480 0.000 0.000 0.344 235 M C 0.503 176.920 176.300 0.194 0.000 1.170 235 M CA 0.508 55.938 55.300 0.216 0.000 1.135 235 M CB 0.701 33.358 32.600 0.095 0.000 1.574 235 M HN 0.811 nan 8.290 nan 0.000 0.452 236 G N 3.109 111.994 108.800 0.141 0.000 2.730 236 G HA2 0.662 4.622 3.960 0.000 0.000 0.289 236 G HA3 0.662 4.622 3.960 0.000 0.000 0.289 236 G C -1.928 173.023 174.900 0.086 0.000 1.341 236 G CA -0.698 44.469 45.100 0.111 0.000 0.932 236 G HN 0.781 nan 8.290 nan 0.000 0.481 237 E N -1.542 118.691 120.200 0.054 0.000 2.393 237 E HA 0.802 5.152 4.350 0.000 0.000 0.273 237 E C -0.090 176.394 176.600 -0.194 0.000 0.918 237 E CA -0.773 55.663 56.400 0.061 0.000 0.773 237 E CB 2.449 32.300 29.700 0.251 0.000 1.275 237 E HN 1.636 nan 8.360 nan 0.000 0.451 238 G N 0.062 108.662 108.800 -0.333 0.000 2.357 238 G HA2 0.326 4.286 3.960 0.000 0.000 0.289 238 G HA3 0.326 4.286 3.960 0.000 0.000 0.289 238 G C -1.380 173.273 174.900 -0.413 0.000 1.302 238 G CA -0.277 44.334 45.100 -0.815 0.000 0.936 238 G HN 0.783 nan 8.290 nan 0.000 0.513 239 S N -1.535 113.905 115.700 -0.433 0.000 2.541 239 S HA 0.821 5.291 4.470 0.000 0.000 0.271 239 S C -0.250 174.203 174.600 -0.246 0.000 1.133 239 S CA 0.573 58.646 58.200 -0.211 0.000 0.876 239 S CB 1.535 64.686 63.200 -0.082 0.000 1.105 239 S HN 2.228 nan 8.310 nan 0.000 0.470 240 G N 3.117 111.816 108.800 -0.167 0.000 2.666 240 G HA2 0.671 4.631 3.960 0.000 0.000 0.303 240 G HA3 0.671 4.631 3.960 0.000 0.000 0.303 240 G C -1.410 173.428 174.900 -0.103 0.000 1.412 240 G CA -0.406 44.595 45.100 -0.165 0.000 0.979 240 G HN 0.593 nan 8.290 nan 0.000 0.507 241 I N 1.825 122.333 120.570 -0.102 0.000 2.608 241 I HA 0.524 4.694 4.170 0.000 0.000 0.295 241 I C -0.952 175.113 176.117 -0.086 0.000 1.049 241 I CA -0.854 60.402 61.300 -0.074 0.000 1.063 241 I CB 1.966 39.931 38.000 -0.059 0.000 1.248 241 I HN 0.205 nan 8.210 nan 0.000 0.424 242 L N 5.558 126.741 121.223 -0.066 0.000 2.341 242 L HA 0.558 4.898 4.340 0.000 0.000 0.267 242 L C -0.480 176.372 176.870 -0.030 0.000 1.009 242 L CA -0.474 54.321 54.840 -0.074 0.000 0.819 242 L CB 1.917 43.938 42.059 -0.062 0.000 1.323 242 L HN 0.223 nan 8.230 nan 0.000 0.425 243 I N 3.695 124.253 120.570 -0.019 0.000 2.328 243 I HA 0.355 4.525 4.170 0.000 0.000 0.287 243 I C -0.357 175.779 176.117 0.032 0.000 1.012 243 I CA -0.357 60.950 61.300 0.012 0.000 1.195 243 I CB 1.048 39.060 38.000 0.020 0.000 1.350 243 I HN 0.349 nan 8.210 nan 0.000 0.464 244 L N 6.013 127.264 121.223 0.048 0.000 2.289 244 L HA 0.513 4.853 4.340 0.000 0.000 0.285 244 L C 0.135 177.044 176.870 0.065 0.000 1.049 244 L CA -0.325 54.562 54.840 0.077 0.000 0.804 244 L CB 1.651 43.777 42.059 0.113 0.000 1.195 244 L HN 0.592 nan 8.230 nan 0.000 0.428 245 E N 2.151 122.388 120.200 0.060 0.000 2.331 245 E HA 0.149 4.499 4.350 0.000 0.000 0.275 245 E C -1.111 175.508 176.600 0.033 0.000 0.895 245 E CA -0.727 55.695 56.400 0.037 0.000 0.753 245 E CB 2.043 31.753 29.700 0.016 0.000 1.216 245 E HN 0.441 nan 8.360 nan 0.000 0.434 246 E N 3.824 124.038 120.200 0.024 0.000 2.415 246 E HA -0.049 4.301 4.350 0.000 0.000 0.263 246 E C 0.807 177.406 176.600 -0.001 0.000 0.995 246 E CA -0.068 56.342 56.400 0.016 0.000 0.915 246 E CB 1.021 30.724 29.700 0.005 0.000 0.951 246 E HN 0.615 nan 8.360 nan 0.000 0.449 247 L N 5.798 127.021 121.223 -0.000 0.000 1.990 247 L HA -0.243 4.097 4.340 0.000 0.000 0.213 247 L C 1.923 178.781 176.870 -0.020 0.000 1.072 247 L CA 1.977 56.800 54.840 -0.027 0.000 0.755 247 L CB -0.405 41.659 42.059 0.008 0.000 0.889 247 L HN 0.553 nan 8.230 nan 0.000 0.432 248 E N -0.805 119.395 120.200 0.001 0.000 2.085 248 E HA -0.213 4.137 4.350 0.000 0.000 0.194 248 E C 2.379 178.976 176.600 -0.004 0.000 0.994 248 E CA 1.414 57.816 56.400 0.004 0.000 0.801 248 E CB -0.673 29.031 29.700 0.007 0.000 0.743 248 E HN 0.569 nan 8.360 nan 0.000 0.453 249 S N 0.228 115.924 115.700 -0.007 0.000 2.368 249 S HA -0.107 4.363 4.470 0.000 0.000 0.225 249 S C 2.013 176.606 174.600 -0.013 0.000 1.030 249 S CA 1.209 59.405 58.200 -0.007 0.000 0.999 249 S CB -0.081 63.117 63.200 -0.004 0.000 0.844 249 S HN 0.327 nan 8.310 nan 0.000 0.459 250 A N 1.472 124.277 122.820 -0.024 0.000 1.877 250 A HA 0.031 4.351 4.320 0.000 0.000 0.216 250 A C 2.178 179.737 177.584 -0.041 0.000 1.186 250 A CA 1.439 53.452 52.037 -0.039 0.000 0.620 250 A CB -0.838 18.119 19.000 -0.070 0.000 0.822 250 A HN 0.563 nan 8.150 nan 0.000 0.443 251 L N -0.764 120.436 121.223 -0.039 0.000 2.083 251 L HA -0.187 4.153 4.340 0.000 0.000 0.209 251 L C 3.073 179.940 176.870 -0.005 0.000 1.083 251 L CA 0.982 55.811 54.840 -0.018 0.000 0.752 251 L CB -0.609 41.453 42.059 0.006 0.000 0.899 251 L HN 0.441 nan 8.230 nan 0.000 0.433 252 A N 1.098 123.916 122.820 -0.004 0.000 1.978 252 A HA -0.211 4.109 4.320 0.000 0.000 0.220 252 A C 2.236 179.819 177.584 -0.002 0.000 1.170 252 A CA 1.864 53.901 52.037 -0.000 0.000 0.636 252 A CB -0.523 18.477 19.000 -0.000 0.000 0.810 252 A HN 0.600 nan 8.150 nan 0.000 0.448 253 R N -1.435 119.061 120.500 -0.006 0.000 2.393 253 R HA 0.363 4.703 4.340 0.000 0.000 0.244 253 R C 0.940 177.235 176.300 -0.009 0.000 0.920 253 R CA 0.609 56.705 56.100 -0.006 0.000 1.076 253 R CB -0.614 29.683 30.300 -0.005 0.000 1.119 253 R HN 0.726 nan 8.270 nan 0.000 0.524 254 G N 0.987 109.781 108.800 -0.011 0.000 2.249 254 G HA2 -0.341 3.619 3.960 0.000 0.000 0.273 254 G HA3 -0.341 3.619 3.960 0.000 0.000 0.273 254 G C 0.362 175.247 174.900 -0.025 0.000 1.036 254 G CA 0.186 45.278 45.100 -0.013 0.000 0.824 254 G HN 0.728 nan 8.290 nan 0.000 0.504 255 A N -0.363 122.437 122.820 -0.032 0.000 2.507 255 A HA 0.489 4.809 4.320 0.000 0.000 0.235 255 A C 0.953 178.499 177.584 -0.064 0.000 1.070 255 A CA 0.942 52.955 52.037 -0.041 0.000 0.768 255 A CB 0.322 19.298 19.000 -0.040 0.000 1.011 255 A HN 0.955 nan 8.150 nan 0.000 0.502 256 K N 1.257 121.612 120.400 -0.074 0.000 2.350 256 K HA 0.414 4.734 4.320 0.000 0.000 0.279 256 K C -1.122 175.391 176.600 -0.145 0.000 1.027 256 K CA 0.130 56.336 56.287 -0.135 0.000 0.969 256 K CB 0.166 32.560 32.500 -0.177 0.000 0.954 256 K HN 0.562 nan 8.250 nan 0.000 0.474 257 I N 5.361 125.823 120.570 -0.179 0.000 2.439 257 I HA 0.113 4.283 4.170 0.000 0.000 0.285 257 I C -0.276 175.770 176.117 -0.119 0.000 1.021 257 I CA -0.722 60.501 61.300 -0.128 0.000 1.091 257 I CB 1.367 39.250 38.000 -0.195 0.000 1.242 257 I HN 0.753 nan 8.210 nan 0.000 0.439 258 Y N 4.591 124.858 120.300 -0.055 0.000 2.286 258 Y HA 0.247 4.797 4.550 0.000 0.000 0.293 258 Y C 1.578 177.468 175.900 -0.016 0.000 1.124 258 Y CA 0.906 58.968 58.100 -0.064 0.000 1.178 258 Y CB 0.265 38.653 38.460 -0.119 0.000 1.010 258 Y HN 0.637 nan 8.280 nan 0.000 0.536 259 G N -0.886 108.027 108.800 0.187 0.000 2.340 259 G HA2 0.273 4.233 3.960 0.000 0.000 0.299 259 G HA3 0.273 4.233 3.960 0.000 0.000 0.299 259 G C -1.855 173.160 174.900 0.191 0.000 1.291 259 G CA -0.905 44.310 45.100 0.193 0.000 0.841 259 G HN -0.100 nan 8.290 nan 0.000 0.500 260 E N -0.267 120.069 120.200 0.227 0.000 2.187 260 E HA 0.576 4.926 4.350 0.000 0.000 0.268 260 E C -0.378 176.324 176.600 0.171 0.000 0.896 260 E CA -0.736 55.782 56.400 0.196 0.000 0.766 260 E CB 1.570 31.408 29.700 0.229 0.000 1.142 260 E HN 0.546 nan 8.360 nan 0.000 0.408 261 M N 5.303 124.947 119.600 0.073 0.000 2.180 261 M HA 0.145 4.625 4.480 0.000 0.000 0.358 261 M C 0.020 176.110 176.300 -0.349 0.000 1.233 261 M CA -0.052 55.048 55.300 -0.333 0.000 1.114 261 M CB 0.977 33.206 32.600 -0.619 0.000 1.594 261 M HN 0.558 nan 8.290 nan 0.000 0.467 262 V N 1.228 120.896 119.914 -0.410 0.000 3.497 262 V HA 0.631 4.751 4.120 0.000 0.000 0.272 262 V C 0.304 176.417 176.094 0.032 0.000 1.474 262 V CA 0.380 62.652 62.300 -0.047 0.000 1.025 262 V CB -0.013 31.825 31.823 0.024 0.000 0.820 262 V HN 0.847 nan 8.190 nan 0.000 0.437 263 G N -0.552 108.118 108.800 -0.217 0.000 2.690 263 G HA2 0.610 4.570 3.960 0.000 0.000 0.293 263 G HA3 0.610 4.570 3.960 0.000 0.000 0.293 263 G C -2.403 172.516 174.900 0.031 0.000 1.399 263 G CA -0.751 44.370 45.100 0.036 0.000 0.890 263 G HN 0.506 nan 8.290 nan 0.000 0.485 264 Y N 0.280 120.623 120.300 0.071 0.000 2.436 264 Y HA 0.720 5.270 4.550 0.000 0.000 0.327 264 Y C -1.124 174.841 175.900 0.108 0.000 1.138 264 Y CA -1.062 57.075 58.100 0.063 0.000 1.042 264 Y CB 1.516 40.076 38.460 0.167 0.000 1.302 264 Y HN 1.227 nan 8.280 nan 0.000 0.439 265 A N 6.932 129.744 122.820 -0.014 0.000 2.486 265 A HA 0.884 5.205 4.320 0.000 0.000 0.300 265 A C -1.682 175.798 177.584 -0.172 0.000 1.048 265 A CA -0.884 51.068 52.037 -0.141 0.000 0.696 265 A CB 1.498 20.562 19.000 0.108 0.000 1.278 265 A HN 0.703 nan 8.150 nan 0.000 0.405 266 M N 2.012 121.469 119.600 -0.239 0.000 2.327 266 M HA 0.554 5.034 4.480 0.000 0.000 0.298 266 M C -0.215 176.036 176.300 -0.082 0.000 1.065 266 M CA -0.355 54.873 55.300 -0.120 0.000 0.916 266 M CB 2.612 35.113 32.600 -0.164 0.000 1.630 266 M HN 0.934 nan 8.290 nan 0.000 0.442 267 T N -1.150 113.402 114.554 -0.005 0.000 2.838 267 T HA 0.738 5.088 4.350 0.000 0.000 0.292 267 T C -1.332 173.373 174.700 0.009 0.000 1.113 267 T CA -0.836 61.251 62.100 -0.022 0.000 1.008 267 T CB 2.081 70.943 68.868 -0.010 0.000 1.259 267 T HN 0.876 nan 8.240 nan 0.000 0.520 268 C N 1.131 120.425 119.300 -0.010 0.000 2.686 268 C HA 0.592 5.052 4.460 0.000 0.000 0.318 268 C C 0.681 175.666 174.990 -0.009 0.000 1.160 268 C CA -0.471 58.541 59.018 -0.010 0.000 1.396 268 C CB 0.771 28.505 27.740 -0.011 0.000 1.924 268 C HN 0.984 nan 8.230 nan 0.000 0.471 269 D N 2.833 123.234 120.400 0.000 0.000 2.183 269 D HA 0.051 4.691 4.640 0.000 0.000 0.203 269 D C 1.613 177.959 176.300 0.076 0.000 0.969 269 D CA 1.574 55.590 54.000 0.027 0.000 0.842 269 D CB -0.133 40.702 40.800 0.059 0.000 0.957 269 D HN 1.175 nan 8.370 nan 0.000 0.484 270 A N -0.251 122.605 122.820 0.061 0.000 2.745 270 A HA -0.296 4.024 4.320 0.000 0.000 0.296 270 A C 0.676 178.335 177.584 0.125 0.000 1.500 270 A CA 1.474 53.544 52.037 0.056 0.000 0.766 270 A CB -2.412 16.608 19.000 0.032 0.000 1.030 270 A HN 0.493 nan 8.150 nan 0.000 0.489 271 Y N -0.735 119.569 120.300 0.007 0.000 2.624 271 Y HA 0.431 4.981 4.550 0.000 0.000 0.260 271 Y C 0.974 176.926 175.900 0.086 0.000 1.090 271 Y CA 1.346 59.470 58.100 0.040 0.000 1.347 271 Y CB 0.452 38.940 38.460 0.047 0.000 1.349 271 Y HN 0.648 nan 8.280 nan 0.000 0.502 272 H N -0.235 118.796 119.070 -0.066 0.000 2.851 272 H HA 0.257 4.813 4.556 0.000 0.000 0.372 272 H C 0.106 175.431 175.328 -0.006 0.000 1.158 272 H CA -0.334 55.617 56.048 -0.162 0.000 1.159 272 H CB 2.343 31.963 29.762 -0.237 0.000 1.757 272 H HN 0.394 nan 8.280 nan 0.000 0.546 273 I N 2.835 123.261 120.570 -0.240 0.000 2.493 273 I HA -0.166 4.004 4.170 0.000 0.000 0.254 273 I C 1.742 177.974 176.117 0.192 0.000 1.160 273 I CA 2.294 63.570 61.300 -0.041 0.000 1.445 273 I CB -0.077 37.836 38.000 -0.145 0.000 1.086 273 I HN 0.771 nan 8.210 nan 0.000 0.433 274 T N -3.404 111.425 114.554 0.458 0.000 2.992 274 T HA 0.503 4.853 4.350 0.000 0.000 0.255 274 T C 0.737 175.669 174.700 0.387 0.000 0.938 274 T CA 0.194 62.539 62.100 0.409 0.000 0.895 274 T CB -0.381 68.603 68.868 0.194 0.000 1.221 274 T HN 0.142 nan 8.240 nan 0.000 0.512 275 A N 3.951 126.942 122.820 0.286 0.000 2.301 275 A HA 0.729 5.049 4.320 0.000 0.000 0.298 275 A C -2.558 175.163 177.584 0.229 0.000 1.185 275 A CA -1.831 50.236 52.037 0.049 0.000 0.830 275 A CB 0.416 19.171 19.000 -0.408 0.000 1.112 275 A HN 0.316 nan 8.150 nan 0.000 0.508 276 P HA 0.140 nan 4.420 nan 0.000 0.275 276 P C 0.052 177.372 177.300 0.034 0.000 1.228 276 P CA -0.121 63.050 63.100 0.118 0.000 0.786 276 P CB 1.182 32.916 31.700 0.057 0.000 0.927 277 V N 4.946 124.755 119.914 -0.174 0.000 2.585 277 V HA 0.012 4.132 4.120 0.000 0.000 0.296 277 V C -1.244 174.636 176.094 -0.356 0.000 1.035 277 V CA -1.230 60.673 62.300 -0.661 0.000 1.084 277 V CB 0.332 31.759 31.823 -0.661 0.000 0.953 277 V HN 0.503 nan 8.190 nan 0.000 0.483 278 P HA -0.189 nan 4.420 nan 0.000 0.216 278 P C 0.954 178.179 177.300 -0.125 0.000 1.157 278 P CA 1.943 64.951 63.100 -0.153 0.000 0.880 278 P CB 0.029 31.661 31.700 -0.113 0.000 0.791 279 D N -2.002 118.308 120.400 -0.149 0.000 2.363 279 D HA 0.055 4.695 4.640 0.000 0.000 0.226 279 D C 1.267 177.503 176.300 -0.107 0.000 1.020 279 D CA 0.755 54.693 54.000 -0.103 0.000 0.892 279 D CB -1.356 39.390 40.800 -0.090 0.000 0.900 279 D HN 0.208 nan 8.370 nan 0.000 0.531 280 G N 1.168 109.881 108.800 -0.146 0.000 2.283 280 G HA2 -0.465 3.495 3.960 0.000 0.000 0.280 280 G HA3 -0.465 3.495 3.960 0.000 0.000 0.280 280 G C 0.965 175.774 174.900 -0.152 0.000 1.029 280 G CA 0.616 45.617 45.100 -0.164 0.000 0.840 280 G HN 0.529 nan 8.290 nan 0.000 0.505 281 R N -0.212 120.211 120.500 -0.128 0.000 2.083 281 R HA -0.062 4.278 4.340 0.000 0.000 0.237 281 R C 2.874 179.128 176.300 -0.076 0.000 1.137 281 R CA 2.377 58.427 56.100 -0.083 0.000 0.951 281 R CB -0.808 29.451 30.300 -0.067 0.000 0.851 281 R HN 0.489 nan 8.270 nan 0.000 0.434 282 G N -0.211 108.525 108.800 -0.106 0.000 2.418 282 G HA2 -0.269 3.691 3.960 0.000 0.000 0.217 282 G HA3 -0.269 3.691 3.960 0.000 0.000 0.217 282 G C 1.513 176.337 174.900 -0.126 0.000 1.158 282 G CA 0.758 45.805 45.100 -0.088 0.000 0.771 282 G HN 0.496 nan 8.290 nan 0.000 0.545 283 A N 0.201 122.842 122.820 -0.299 0.000 1.930 283 A HA 0.013 4.333 4.320 0.000 0.000 0.217 283 A C 2.524 180.018 177.584 -0.150 0.000 1.175 283 A CA 2.379 54.117 52.037 -0.498 0.000 0.627 283 A CB -0.875 17.470 19.000 -1.092 0.000 0.815 283 A HN 0.293 nan 8.150 nan 0.000 0.443 284 T N -0.136 114.357 114.554 -0.102 0.000 2.708 284 T HA -0.149 4.201 4.350 0.000 0.000 0.266 284 T C 2.040 176.765 174.700 0.042 0.000 1.037 284 T CA 1.647 63.736 62.100 -0.018 0.000 1.146 284 T CB -0.241 68.611 68.868 -0.026 0.000 0.865 284 T HN 0.539 nan 8.240 nan 0.000 0.435 285 R N 0.940 121.486 120.500 0.076 0.000 2.115 285 R HA 0.102 4.442 4.340 0.000 0.000 0.230 285 R C 2.808 179.287 176.300 0.297 0.000 1.111 285 R CA 1.086 57.318 56.100 0.219 0.000 0.976 285 R CB -0.412 30.038 30.300 0.251 0.000 0.870 285 R HN 0.350 nan 8.270 nan 0.000 0.445 286 A N 1.357 124.290 122.820 0.188 0.000 1.902 286 A HA -0.137 4.183 4.320 0.000 0.000 0.217 286 A C 2.133 179.843 177.584 0.210 0.000 1.181 286 A CA 1.200 53.362 52.037 0.209 0.000 0.623 286 A CB -0.413 18.724 19.000 0.228 0.000 0.818 286 A HN 0.161 nan 8.150 nan 0.000 0.443 287 I N -0.377 120.299 120.570 0.177 0.000 2.202 287 I HA -0.238 3.932 4.170 0.000 0.000 0.242 287 I C 2.996 179.159 176.117 0.077 0.000 1.091 287 I CA 1.016 62.395 61.300 0.132 0.000 1.368 287 I CB -0.403 37.667 38.000 0.118 0.000 1.058 287 I HN 0.343 nan 8.210 nan 0.000 0.410 288 A N 0.180 123.021 122.820 0.036 0.000 1.908 288 A HA -0.238 4.082 4.320 0.000 0.000 0.218 288 A C 1.994 179.482 177.584 -0.160 0.000 1.181 288 A CA 1.557 53.537 52.037 -0.095 0.000 0.627 288 A CB -1.152 17.742 19.000 -0.178 0.000 0.818 288 A HN 0.566 nan 8.150 nan 0.000 0.445 289 W N -0.580 120.726 121.300 0.010 0.000 2.467 289 W HA 0.148 4.808 4.660 -0.000 0.000 0.275 289 W C 2.644 179.169 176.519 0.011 0.000 1.239 289 W CA 0.861 58.208 57.345 0.003 0.000 1.266 289 W CB 0.019 29.472 29.460 -0.012 0.000 1.112 289 W HN 0.392 nan 8.180 nan 0.000 0.576 290 A N -0.029 122.914 122.820 0.206 0.000 1.930 290 A HA -0.135 4.185 4.320 0.000 0.000 0.217 290 A C 1.903 179.541 177.584 0.089 0.000 1.175 290 A CA 1.194 53.317 52.037 0.143 0.000 0.627 290 A CB -0.835 18.231 19.000 0.110 0.000 0.815 290 A HN 0.276 nan 8.150 nan 0.000 0.443 291 L N -0.761 120.489 121.223 0.045 0.000 2.056 291 L HA -0.171 4.169 4.340 0.000 0.000 0.207 291 L C 2.561 179.428 176.870 -0.004 0.000 1.078 291 L CA 1.581 56.425 54.840 0.007 0.000 0.749 291 L CB -0.395 41.649 42.059 -0.024 0.000 0.901 291 L HN 0.331 nan 8.230 nan 0.000 0.433 292 K N -0.254 120.121 120.400 -0.042 0.000 2.097 292 K HA -0.225 4.095 4.320 0.000 0.000 0.206 292 K C 1.711 178.352 176.600 0.067 0.000 1.049 292 K CA 1.634 57.888 56.287 -0.055 0.000 0.933 292 K CB -0.213 32.145 32.500 -0.236 0.000 0.717 292 K HN 0.168 nan 8.250 nan 0.000 0.442 293 D N 0.285 120.772 120.400 0.145 0.000 2.218 293 D HA -0.081 4.559 4.640 0.000 0.000 0.204 293 D C 1.234 177.617 176.300 0.139 0.000 0.976 293 D CA 1.056 55.160 54.000 0.174 0.000 0.853 293 D CB 0.157 41.083 40.800 0.210 0.000 0.939 293 D HN -0.026 nan 8.370 nan 0.000 0.481 294 S N -1.265 114.494 115.700 0.099 0.000 2.548 294 S HA 0.268 4.738 4.470 0.000 0.000 0.215 294 S C 1.458 176.093 174.600 0.057 0.000 0.976 294 S CA 0.450 58.698 58.200 0.080 0.000 0.908 294 S CB 0.580 63.807 63.200 0.045 0.000 0.781 294 S HN 0.485 nan 8.310 nan 0.000 0.519 295 G N 1.648 110.474 108.800 0.042 0.000 2.221 295 G HA2 -0.245 3.715 3.960 0.000 0.000 0.265 295 G HA3 -0.245 3.715 3.960 0.000 0.000 0.265 295 G C -0.222 174.682 174.900 0.007 0.000 1.041 295 G CA 0.132 45.246 45.100 0.022 0.000 0.807 295 G HN 0.459 nan 8.290 nan 0.000 0.502 296 L N -0.971 120.251 121.223 -0.001 0.000 2.342 296 L HA 0.580 4.920 4.340 0.000 0.000 0.271 296 L C 0.588 177.438 176.870 -0.034 0.000 1.008 296 L CA -1.153 53.681 54.840 -0.011 0.000 0.818 296 L CB 1.792 43.853 42.059 0.003 0.000 1.296 296 L HN 0.004 nan 8.230 nan 0.000 0.427 297 K N 2.211 122.584 120.400 -0.046 0.000 2.118 297 K HA 0.255 4.575 4.320 0.000 0.000 0.264 297 K C -1.752 174.803 176.600 -0.075 0.000 1.000 297 K CA -1.517 54.730 56.287 -0.068 0.000 0.929 297 K CB 1.096 33.550 32.500 -0.077 0.000 1.021 297 K HN 0.204 nan 8.250 nan 0.000 0.463 298 P HA -0.178 nan 4.420 nan 0.000 0.216 298 P C 0.152 177.360 177.300 -0.154 0.000 1.150 298 P CA 1.274 64.343 63.100 -0.052 0.000 0.843 298 P CB 0.268 31.951 31.700 -0.028 0.000 0.787 299 E N -1.519 118.485 120.200 -0.327 0.000 2.401 299 E HA -0.088 4.262 4.350 0.000 0.000 0.199 299 E C 1.702 177.981 176.600 -0.536 0.000 1.023 299 E CA 0.941 56.881 56.400 -0.766 0.000 0.859 299 E CB -0.874 28.568 29.700 -0.429 0.000 0.780 299 E HN 0.358 nan 8.360 nan 0.000 0.523 300 M N -0.216 119.263 119.600 -0.202 0.000 2.506 300 M HA 0.027 4.507 4.480 0.000 0.000 0.260 300 M C 0.138 176.469 176.300 0.052 0.000 1.104 300 M CA 0.094 55.361 55.300 -0.056 0.000 1.112 300 M CB 0.469 33.053 32.600 -0.028 0.000 1.401 300 M HN -0.178 nan 8.290 nan 0.000 0.473 301 V N 0.954 120.935 119.914 0.111 0.000 2.599 301 V HA -0.043 4.077 4.120 0.000 0.000 0.300 301 V C 0.970 177.220 176.094 0.260 0.000 1.034 301 V CA 0.443 62.854 62.300 0.186 0.000 1.115 301 V CB 1.205 33.137 31.823 0.180 0.000 0.934 301 V HN 0.326 nan 8.190 nan 0.000 0.485 302 S N 2.651 118.459 115.700 0.181 0.000 2.545 302 S HA 0.209 4.679 4.470 0.000 0.000 0.232 302 S C -0.210 174.509 174.600 0.198 0.000 1.070 302 S CA 0.249 58.552 58.200 0.170 0.000 0.923 302 S CB 0.321 63.612 63.200 0.152 0.000 0.806 302 S HN 0.733 nan 8.310 nan 0.000 0.506 303 Y N 0.640 120.968 120.300 0.046 0.000 2.544 303 Y HA 0.642 5.192 4.550 0.000 0.000 0.342 303 Y C -2.193 173.735 175.900 0.046 0.000 1.062 303 Y CA -1.570 56.549 58.100 0.031 0.000 1.023 303 Y CB 1.010 39.495 38.460 0.042 0.000 1.308 303 Y HN -0.017 nan 8.280 nan 0.000 0.457 304 I N 4.772 124.882 120.570 -0.767 0.000 2.478 304 I HA 0.261 4.431 4.170 0.000 0.000 0.287 304 I C -1.051 174.494 176.117 -0.952 0.000 1.042 304 I CA -0.811 60.097 61.300 -0.654 0.000 1.067 304 I CB 1.905 39.752 38.000 -0.253 0.000 1.233 304 I HN 0.652 nan 8.210 nan 0.000 0.431 305 N N 5.237 123.510 118.700 -0.713 0.000 2.439 305 N HA 0.452 5.192 4.740 0.000 0.000 0.243 305 N C -0.042 175.389 175.510 -0.132 0.000 1.088 305 N CA -0.160 52.699 53.050 -0.319 0.000 0.940 305 N CB 0.856 39.311 38.487 -0.052 0.000 1.180 305 N HN 0.738 nan 8.380 nan 0.000 0.505 306 A N 2.514 125.316 122.820 -0.030 0.000 2.386 306 A HA 0.074 4.394 4.320 0.000 0.000 0.246 306 A C 1.056 178.646 177.584 0.010 0.000 1.089 306 A CA -0.099 51.973 52.037 0.058 0.000 0.790 306 A CB 0.198 19.377 19.000 0.299 0.000 1.042 306 A HN 0.957 nan 8.150 nan 0.000 0.497 307 H N 1.049 120.013 119.070 -0.177 0.000 2.333 307 H HA 0.086 4.642 4.556 0.000 0.000 0.302 307 H C 1.614 176.793 175.328 -0.247 0.000 1.075 307 H CA 1.428 57.301 56.048 -0.291 0.000 1.348 307 H CB -0.655 28.865 29.762 -0.403 0.000 1.393 307 H HN 1.120 nan 8.280 nan 0.000 0.509 308 G N 0.886 109.567 108.800 -0.199 0.000 2.089 308 G HA2 -0.310 3.650 3.960 0.000 0.000 0.250 308 G HA3 -0.310 3.650 3.960 0.000 0.000 0.250 308 G C 1.059 175.635 174.900 -0.540 0.000 0.772 308 G CA 0.982 45.801 45.100 -0.468 0.000 1.141 308 G HN 0.753 nan 8.290 nan 0.000 0.356 309 T N -2.095 112.113 114.554 -0.576 0.000 3.085 309 T HA 0.306 4.656 4.350 0.000 0.000 0.263 309 T C 1.510 176.074 174.700 -0.226 0.000 1.127 309 T CA 1.131 62.929 62.100 -0.502 0.000 1.103 309 T CB 0.231 68.773 68.868 -0.544 0.000 0.921 309 T HN 1.740 nan 8.240 nan 0.000 0.510 310 S N 0.714 116.245 115.700 -0.281 0.000 3.391 310 S HA -0.151 4.319 4.470 0.000 0.000 0.283 310 S C 0.327 174.873 174.600 -0.089 0.000 1.272 310 S CA 0.735 58.819 58.200 -0.194 0.000 0.912 310 S CB -2.228 60.908 63.200 -0.106 0.000 1.109 310 S HN 1.243 nan 8.310 nan 0.000 0.648 311 T N -1.191 113.327 114.554 -0.061 0.000 2.907 311 T HA 0.653 5.003 4.350 0.000 0.000 0.284 311 T C -1.373 173.313 174.700 -0.022 0.000 1.004 311 T CA -1.459 60.647 62.100 0.010 0.000 1.063 311 T CB 1.521 70.459 68.868 0.117 0.000 0.992 311 T HN -0.062 nan 8.240 nan 0.000 0.483 312 P HA -0.102 nan 4.420 nan 0.000 0.214 312 P C 1.656 178.962 177.300 0.010 0.000 1.163 312 P CA 1.755 64.852 63.100 -0.007 0.000 0.889 312 P CB -0.195 31.504 31.700 -0.002 0.000 0.790 313 A N -0.884 121.955 122.820 0.031 0.000 1.898 313 A HA -0.222 4.098 4.320 0.000 0.000 0.216 313 A C 2.261 179.877 177.584 0.054 0.000 1.181 313 A CA 2.114 54.178 52.037 0.045 0.000 0.620 313 A CB -1.781 17.255 19.000 0.060 0.000 0.819 313 A HN 0.195 nan 8.150 nan 0.000 0.442 314 N N 0.199 118.938 118.700 0.065 0.000 2.039 314 N HA -0.180 4.560 4.740 0.000 0.000 0.193 314 N C 1.170 176.717 175.510 0.061 0.000 1.044 314 N CA 1.974 55.075 53.050 0.085 0.000 0.847 314 N CB -0.289 38.248 38.487 0.083 0.000 1.030 314 N HN 0.355 nan 8.380 nan 0.000 0.422 315 D N -0.470 119.902 120.400 -0.046 0.000 2.158 315 D HA -0.132 4.508 4.640 0.000 0.000 0.197 315 D C 2.004 178.396 176.300 0.154 0.000 0.995 315 D CA 1.019 54.967 54.000 -0.087 0.000 0.846 315 D CB -0.405 40.172 40.800 -0.373 0.000 0.941 315 D HN 0.198 nan 8.370 nan 0.000 0.456 316 V N 0.930 120.906 119.914 0.104 0.000 2.346 316 V HA -0.186 3.934 4.120 0.000 0.000 0.244 316 V C 2.702 178.859 176.094 0.104 0.000 1.037 316 V CA 2.017 64.390 62.300 0.121 0.000 1.029 316 V CB -1.107 30.761 31.823 0.075 0.000 0.663 316 V HN 0.356 nan 8.190 nan 0.000 0.454 317 T N -0.969 113.627 114.554 0.070 0.000 2.788 317 T HA -0.276 4.074 4.350 0.000 0.000 0.268 317 T C 1.745 176.471 174.700 0.043 0.000 1.044 317 T CA 1.842 63.958 62.100 0.027 0.000 1.139 317 T CB -0.344 68.517 68.868 -0.012 0.000 0.867 317 T HN 0.618 nan 8.240 nan 0.000 0.454 318 E N 0.916 121.199 120.200 0.139 0.000 2.072 318 E HA -0.134 4.216 4.350 0.000 0.000 0.191 318 E C 2.173 178.904 176.600 0.217 0.000 0.985 318 E CA 1.461 58.006 56.400 0.242 0.000 0.801 318 E CB -0.391 29.567 29.700 0.430 0.000 0.750 318 E HN 0.521 nan 8.360 nan 0.000 0.452 319 T N 0.690 115.386 114.554 0.236 0.000 2.746 319 T HA -0.196 4.154 4.350 0.000 0.000 0.267 319 T C 1.831 176.570 174.700 0.064 0.000 1.039 319 T CA 1.523 63.724 62.100 0.168 0.000 1.142 319 T CB -0.288 68.707 68.868 0.213 0.000 0.866 319 T HN 0.206 nan 8.240 nan 0.000 0.444 320 R N 0.934 121.469 120.500 0.059 0.000 2.081 320 R HA -0.055 4.285 4.340 0.000 0.000 0.235 320 R C 2.560 178.859 176.300 -0.001 0.000 1.131 320 R CA 1.483 57.594 56.100 0.018 0.000 0.960 320 R CB -0.459 29.848 30.300 0.011 0.000 0.856 320 R HN 0.365 nan 8.270 nan 0.000 0.436 321 A N 1.004 123.823 122.820 -0.002 0.000 1.902 321 A HA -0.128 4.192 4.320 0.000 0.000 0.217 321 A C 2.169 179.760 177.584 0.013 0.000 1.181 321 A CA 1.453 53.479 52.037 -0.019 0.000 0.623 321 A CB -0.487 18.471 19.000 -0.071 0.000 0.818 321 A HN 0.384 nan 8.150 nan 0.000 0.443 322 I N -0.665 119.926 120.570 0.034 0.000 2.226 322 I HA -0.271 3.899 4.170 0.000 0.000 0.245 322 I C 2.434 178.527 176.117 -0.040 0.000 1.100 322 I CA 1.647 62.953 61.300 0.010 0.000 1.374 322 I CB -0.255 37.742 38.000 -0.004 0.000 1.057 322 I HN 0.287 nan 8.210 nan 0.000 0.413 323 K N 0.350 120.710 120.400 -0.067 0.000 2.097 323 K HA -0.170 4.150 4.320 0.000 0.000 0.205 323 K C 2.132 178.718 176.600 -0.023 0.000 1.050 323 K CA 1.148 57.385 56.287 -0.084 0.000 0.938 323 K CB -0.094 32.348 32.500 -0.097 0.000 0.718 323 K HN 0.383 nan 8.250 nan 0.000 0.442 324 Q N -0.221 119.571 119.800 -0.013 0.000 2.172 324 Q HA -0.025 4.315 4.340 0.000 0.000 0.200 324 Q C 2.025 178.021 176.000 -0.007 0.000 0.964 324 Q CA 1.151 56.950 55.803 -0.006 0.000 0.855 324 Q CB 0.084 28.815 28.738 -0.012 0.000 0.918 324 Q HN 0.318 nan 8.270 nan 0.000 0.444 325 A N 0.318 123.135 122.820 -0.005 0.000 1.935 325 A HA 0.015 4.335 4.320 0.000 0.000 0.214 325 A C 1.774 179.359 177.584 0.002 0.000 1.178 325 A CA 0.676 52.710 52.037 -0.005 0.000 0.640 325 A CB -0.037 18.969 19.000 0.010 0.000 0.825 325 A HN 0.246 nan 8.150 nan 0.000 0.447 326 L N -1.486 119.747 121.223 0.015 0.000 2.616 326 L HA 0.296 4.636 4.340 0.000 0.000 0.229 326 L C 1.559 178.470 176.870 0.068 0.000 1.110 326 L CA 0.273 55.144 54.840 0.053 0.000 0.884 326 L CB -0.673 41.434 42.059 0.080 0.000 1.115 326 L HN 0.585 nan 8.230 nan 0.000 0.481 327 G N 1.480 110.305 108.800 0.041 0.000 2.552 327 G HA2 -0.388 3.572 3.960 0.000 0.000 0.265 327 G HA3 -0.388 3.572 3.960 0.000 0.000 0.265 327 G C 0.431 175.396 174.900 0.108 0.000 1.234 327 G CA 0.529 45.667 45.100 0.063 0.000 0.944 327 G HN 0.377 nan 8.290 nan 0.000 0.568 328 N N -0.689 118.094 118.700 0.139 0.000 2.272 328 N HA -0.160 4.580 4.740 0.000 0.000 0.185 328 N C 1.860 177.499 175.510 0.214 0.000 1.014 328 N CA 1.211 54.383 53.050 0.203 0.000 0.870 328 N CB -0.161 38.403 38.487 0.128 0.000 0.975 328 N HN 0.632 nan 8.380 nan 0.000 0.433 329 H N 0.996 120.102 119.070 0.060 0.000 2.489 329 H HA 0.046 4.602 4.556 0.000 0.000 0.293 329 H C 1.867 177.195 175.328 -0.000 0.000 1.066 329 H CA 1.178 57.245 56.048 0.032 0.000 1.305 329 H CB -0.122 29.645 29.762 0.008 0.000 1.386 329 H HN 0.229 nan 8.280 nan 0.000 0.551 330 A N -0.318 122.449 122.820 -0.089 0.000 1.978 330 A HA -0.205 4.115 4.320 0.000 0.000 0.220 330 A C 1.615 178.969 177.584 -0.383 0.000 1.170 330 A CA 1.518 53.391 52.037 -0.273 0.000 0.636 330 A CB -0.901 17.906 19.000 -0.322 0.000 0.810 330 A HN 0.596 nan 8.150 nan 0.000 0.448 331 Y N -0.272 119.934 120.300 -0.158 0.000 2.546 331 Y HA 0.067 4.617 4.550 0.000 0.000 0.287 331 Y C 1.428 177.225 175.900 -0.172 0.000 1.158 331 Y CA 0.603 58.609 58.100 -0.156 0.000 1.307 331 Y CB 0.180 38.580 38.460 -0.101 0.000 1.036 331 Y HN 0.308 nan 8.280 nan 0.000 0.532 332 N N 0.481 119.108 118.700 -0.122 0.000 2.203 332 N HA 0.181 4.921 4.740 0.000 0.000 0.207 332 N C 0.150 175.512 175.510 -0.247 0.000 1.130 332 N CA 0.220 53.180 53.050 -0.151 0.000 0.861 332 N CB 0.606 39.044 38.487 -0.081 0.000 1.005 332 N HN 0.402 nan 8.380 nan 0.000 0.507 333 I N -2.885 117.505 120.570 -0.300 0.000 3.237 333 I HA 0.827 4.997 4.170 0.000 0.000 0.308 333 I C -0.527 175.520 176.117 -0.117 0.000 1.093 333 I CA -1.436 59.739 61.300 -0.207 0.000 1.001 333 I CB 1.658 39.517 38.000 -0.235 0.000 1.245 333 I HN -0.256 nan 8.210 nan 0.000 0.485 334 A N 2.180 124.998 122.820 -0.003 0.000 2.317 334 A HA 0.792 5.112 4.320 0.000 0.000 0.327 334 A C -0.738 176.920 177.584 0.122 0.000 1.178 334 A CA -0.556 51.518 52.037 0.061 0.000 0.817 334 A CB 1.257 20.341 19.000 0.139 0.000 1.189 334 A HN 0.542 nan 8.150 nan 0.000 0.489 335 V N 1.760 121.690 119.914 0.027 0.000 2.789 335 V HA 0.808 4.928 4.120 0.000 0.000 0.311 335 V C -0.103 176.094 176.094 0.171 0.000 1.073 335 V CA -0.086 62.213 62.300 -0.002 0.000 0.921 335 V CB 1.955 33.692 31.823 -0.144 0.000 1.009 335 V HN 1.345 nan 8.190 nan 0.000 0.426 336 S N 1.817 117.660 115.700 0.239 0.000 2.550 336 S HA 0.676 5.146 4.470 0.000 0.000 0.270 336 S C -0.928 173.838 174.600 0.277 0.000 1.145 336 S CA -0.605 57.781 58.200 0.311 0.000 0.852 336 S CB 1.985 65.379 63.200 0.324 0.000 1.119 336 S HN 0.893 nan 8.310 nan 0.000 0.465 337 S N 1.260 117.130 115.700 0.282 0.000 2.498 337 S HA 0.474 4.944 4.470 0.000 0.000 0.324 337 S C 1.034 175.689 174.600 0.091 0.000 1.071 337 S CA -0.029 58.266 58.200 0.159 0.000 1.113 337 S CB 0.446 63.697 63.200 0.084 0.000 0.976 337 S HN 1.032 nan 8.310 nan 0.000 0.462 338 T N 2.543 117.143 114.554 0.077 0.000 3.118 338 T HA 0.117 4.467 4.350 0.000 0.000 0.260 338 T C 1.284 176.005 174.700 0.036 0.000 1.139 338 T CA 0.343 62.481 62.100 0.063 0.000 1.085 338 T CB -0.204 68.722 68.868 0.096 0.000 0.934 338 T HN 0.630 nan 8.240 nan 0.000 0.518 339 K N 1.846 122.239 120.400 -0.012 0.000 2.362 339 K HA -0.039 4.281 4.320 0.000 0.000 0.200 339 K C 2.615 179.206 176.600 -0.015 0.000 1.046 339 K CA 1.176 57.439 56.287 -0.039 0.000 0.952 339 K CB -0.184 32.225 32.500 -0.151 0.000 0.753 339 K HN 0.613 nan 8.250 nan 0.000 0.466 340 S N 0.541 116.234 115.700 -0.012 0.000 2.419 340 S HA -0.131 4.339 4.470 0.000 0.000 0.233 340 S C 1.898 176.500 174.600 0.003 0.000 1.016 340 S CA 1.040 59.237 58.200 -0.004 0.000 0.974 340 S CB -0.105 63.101 63.200 0.011 0.000 0.786 340 S HN 0.224 nan 8.310 nan 0.000 0.492 341 M N 1.159 120.766 119.600 0.012 0.000 2.691 341 M HA 0.078 4.558 4.480 0.000 0.000 0.261 341 M C 2.476 178.798 176.300 0.035 0.000 1.227 341 M CA 1.349 56.656 55.300 0.012 0.000 1.197 341 M CB -0.135 32.468 32.600 0.005 0.000 1.294 341 M HN 0.579 nan 8.290 nan 0.000 0.508 342 T N -2.148 112.439 114.554 0.055 0.000 3.051 342 T HA 0.458 4.808 4.350 0.000 0.000 0.255 342 T C 1.058 175.794 174.700 0.060 0.000 1.085 342 T CA 0.429 62.565 62.100 0.059 0.000 1.109 342 T CB -0.044 68.866 68.868 0.071 0.000 0.921 342 T HN 0.541 nan 8.240 nan 0.000 0.488 343 G N 1.155 109.995 108.800 0.066 0.000 2.757 343 G HA2 -0.110 3.850 3.960 0.000 0.000 0.638 343 G HA3 -0.110 3.850 3.960 0.000 0.000 0.638 343 G C -0.885 174.078 174.900 0.104 0.000 1.344 343 G CA -0.405 44.759 45.100 0.107 0.000 0.855 343 G HN 0.815 nan 8.290 nan 0.000 0.537 344 H N 0.402 119.468 119.070 -0.007 0.000 2.761 344 H HA 0.532 5.088 4.556 0.000 0.000 0.284 344 H C 1.216 176.468 175.328 -0.127 0.000 1.105 344 H CA -0.983 54.971 56.048 -0.157 0.000 1.352 344 H CB 0.795 30.320 29.762 -0.396 0.000 1.423 344 H HN 0.360 nan 8.280 nan 0.000 0.464 345 L N 6.656 127.955 121.223 0.127 0.000 2.645 345 L HA 0.033 4.373 4.340 0.000 0.000 0.235 345 L C 1.361 178.170 176.870 -0.101 0.000 1.150 345 L CA 0.545 55.381 54.840 -0.007 0.000 0.911 345 L CB -1.029 41.022 42.059 -0.014 0.000 1.077 345 L HN 0.768 nan 8.230 nan 0.000 0.438 346 L N -1.546 119.463 121.223 -0.357 0.000 5.531 346 L HA -0.416 3.924 4.340 0.000 0.000 0.053 346 L C 1.909 178.736 176.870 -0.071 0.000 2.831 346 L CA 1.257 55.848 54.840 -0.415 0.000 1.552 346 L CB -1.833 40.038 42.059 -0.314 0.000 2.889 346 L HN 0.258 nan 8.230 nan 0.000 0.964 347 G N -0.737 108.040 108.800 -0.038 0.000 2.462 347 G HA2 -0.011 3.949 3.960 0.000 0.000 0.220 347 G HA3 -0.011 3.949 3.960 0.000 0.000 0.220 347 G C 1.139 176.047 174.900 0.013 0.000 1.121 347 G CA 1.127 46.228 45.100 0.003 0.000 0.758 347 G HN 0.854 nan 8.290 nan 0.000 0.559 348 G N 0.583 109.388 108.800 0.009 0.000 2.777 348 G HA2 0.052 4.012 3.960 0.000 0.000 0.211 348 G HA3 0.052 4.012 3.960 0.000 0.000 0.211 348 G C 2.035 176.925 174.900 -0.016 0.000 1.149 348 G CA 1.258 46.355 45.100 -0.005 0.000 0.785 348 G HN 0.583 nan 8.290 nan 0.000 0.536 349 S N 0.771 116.485 115.700 0.023 0.000 2.359 349 S HA -0.045 4.425 4.470 0.000 0.000 0.224 349 S C 2.483 177.092 174.600 0.016 0.000 1.035 349 S CA 1.654 59.879 58.200 0.041 0.000 1.018 349 S CB -0.939 62.338 63.200 0.128 0.000 0.876 349 S HN 0.337 nan 8.310 nan 0.000 0.448 350 G N 1.129 109.937 108.800 0.014 0.000 2.432 350 G HA2 0.126 4.086 3.960 0.000 0.000 0.219 350 G HA3 0.126 4.086 3.960 0.000 0.000 0.219 350 G C 1.352 176.249 174.900 -0.006 0.000 1.135 350 G CA 0.707 45.807 45.100 -0.000 0.000 0.767 350 G HN 0.685 nan 8.290 nan 0.000 0.550 351 G N 1.662 110.450 108.800 -0.020 0.000 2.424 351 G HA2 -0.128 3.832 3.960 0.000 0.000 0.214 351 G HA3 -0.128 3.832 3.960 0.000 0.000 0.214 351 G C 1.843 176.709 174.900 -0.056 0.000 1.202 351 G CA 1.017 46.092 45.100 -0.041 0.000 0.793 351 G HN 0.671 nan 8.290 nan 0.000 0.534 352 I N -1.575 118.948 120.570 -0.078 0.000 2.614 352 I HA 0.104 4.274 4.170 0.000 0.000 0.258 352 I C 2.133 178.310 176.117 0.099 0.000 1.189 352 I CA 1.583 62.831 61.300 -0.087 0.000 1.462 352 I CB -0.187 37.652 38.000 -0.267 0.000 1.092 352 I HN 0.135 nan 8.210 nan 0.000 0.442 353 E N 1.613 121.852 120.200 0.064 0.000 2.216 353 E HA 0.009 4.359 4.350 0.000 0.000 0.192 353 E C 2.415 179.042 176.600 0.045 0.000 0.988 353 E CA 0.968 57.422 56.400 0.090 0.000 0.834 353 E CB -0.074 29.657 29.700 0.052 0.000 0.772 353 E HN 0.660 nan 8.360 nan 0.000 0.479 354 A N 0.686 123.503 122.820 -0.005 0.000 1.929 354 A HA -0.105 4.215 4.320 0.000 0.000 0.216 354 A C 2.404 179.860 177.584 -0.213 0.000 1.176 354 A CA 0.818 52.796 52.037 -0.098 0.000 0.628 354 A CB -0.484 18.493 19.000 -0.038 0.000 0.816 354 A HN 0.107 nan 8.150 nan 0.000 0.444 355 V N -0.026 119.827 119.914 -0.102 0.000 2.295 355 V HA -0.274 3.846 4.120 0.000 0.000 0.246 355 V C 3.064 179.113 176.094 -0.077 0.000 1.049 355 V CA 2.025 64.258 62.300 -0.111 0.000 1.024 355 V CB -1.182 30.663 31.823 0.038 0.000 0.648 355 V HN 0.607 nan 8.190 nan 0.000 0.447 356 A N -0.493 122.390 122.820 0.106 0.000 1.933 356 A HA -0.215 4.105 4.320 0.000 0.000 0.218 356 A C 2.389 180.032 177.584 0.098 0.000 1.175 356 A CA 2.452 54.591 52.037 0.170 0.000 0.628 356 A CB -0.912 18.227 19.000 0.232 0.000 0.814 356 A HN 0.513 nan 8.150 nan 0.000 0.444 357 T N -0.419 114.150 114.554 0.024 0.000 2.777 357 T HA -0.101 4.249 4.350 0.000 0.000 0.266 357 T C 1.873 176.466 174.700 -0.179 0.000 1.040 357 T CA 1.554 63.669 62.100 0.024 0.000 1.141 357 T CB -0.380 68.467 68.868 -0.034 0.000 0.868 357 T HN 0.152 nan 8.240 nan 0.000 0.444 358 V N 1.684 121.339 119.914 -0.432 0.000 2.358 358 V HA -0.139 3.981 4.120 0.000 0.000 0.246 358 V C 2.592 178.482 176.094 -0.340 0.000 1.047 358 V CA 1.266 63.282 62.300 -0.474 0.000 1.035 358 V CB -0.535 30.915 31.823 -0.623 0.000 0.658 358 V HN 0.433 nan 8.190 nan 0.000 0.452 359 M N -0.204 119.119 119.600 -0.461 0.000 2.159 359 M HA -0.123 4.357 4.480 0.000 0.000 0.263 359 M C 2.424 178.366 176.300 -0.597 0.000 1.063 359 M CA 2.116 56.978 55.300 -0.731 0.000 1.110 359 M CB -1.351 30.386 32.600 -1.437 0.000 1.374 359 M HN 0.418 nan 8.290 nan 0.000 0.411 360 A N 0.396 123.049 122.820 -0.279 0.000 1.902 360 A HA -0.146 4.174 4.320 0.000 0.000 0.217 360 A C 2.232 179.792 177.584 -0.041 0.000 1.181 360 A CA 1.349 53.367 52.037 -0.031 0.000 0.623 360 A CB -0.827 18.166 19.000 -0.013 0.000 0.818 360 A HN 0.452 nan 8.150 nan 0.000 0.443 361 I N -0.537 120.011 120.570 -0.037 0.000 2.226 361 I HA -0.281 3.889 4.170 0.000 0.000 0.245 361 I C 2.872 178.988 176.117 -0.001 0.000 1.100 361 I CA 1.176 62.483 61.300 0.012 0.000 1.374 361 I CB -0.241 37.781 38.000 0.037 0.000 1.057 361 I HN 0.389 nan 8.210 nan 0.000 0.413 362 A N -0.234 122.564 122.820 -0.036 0.000 1.970 362 A HA -0.079 4.241 4.320 0.000 0.000 0.216 362 A C 2.043 179.597 177.584 -0.050 0.000 1.170 362 A CA 1.005 53.025 52.037 -0.028 0.000 0.645 362 A CB -0.128 18.876 19.000 0.006 0.000 0.816 362 A HN 0.297 nan 8.150 nan 0.000 0.447 363 E N -0.068 120.086 120.200 -0.076 0.000 2.452 363 E HA 0.023 4.373 4.350 0.000 0.000 0.197 363 E C -0.603 176.025 176.600 0.048 0.000 1.022 363 E CA 0.229 56.625 56.400 -0.006 0.000 0.890 363 E CB -0.006 29.720 29.700 0.042 0.000 0.918 363 E HN 0.466 nan 8.360 nan 0.000 0.496 364 D N 1.367 121.784 120.400 0.029 0.000 2.689 364 D HA -0.168 4.472 4.640 0.000 0.000 0.237 364 D C -0.393 175.927 176.300 0.034 0.000 1.148 364 D CA 1.070 55.085 54.000 0.025 0.000 0.656 364 D CB -0.932 39.880 40.800 0.019 0.000 1.050 364 D HN 0.223 nan 8.370 nan 0.000 0.426 365 K N -0.699 119.737 120.400 0.060 0.000 2.543 365 K HA 0.520 4.840 4.320 0.000 0.000 0.255 365 K C -0.333 176.255 176.600 -0.020 0.000 0.934 365 K CA -0.889 55.423 56.287 0.042 0.000 0.810 365 K CB 2.931 35.507 32.500 0.126 0.000 1.315 365 K HN -0.028 nan 8.250 nan 0.000 0.433 366 V N -0.534 119.272 119.914 -0.180 0.000 2.555 366 V HA 0.631 4.752 4.120 0.000 0.000 0.302 366 V C -2.530 173.394 176.094 -0.284 0.000 1.038 366 V CA -2.472 59.599 62.300 -0.382 0.000 0.887 366 V CB 1.424 32.867 31.823 -0.634 0.000 0.991 366 V HN 0.597 nan 8.190 nan 0.000 0.434 367 P HA 0.391 nan 4.420 nan 0.000 0.274 367 P C -2.772 174.476 177.300 -0.087 0.000 1.237 367 P CA -1.469 61.492 63.100 -0.231 0.000 0.793 367 P CB 0.849 32.418 31.700 -0.217 0.000 0.977 368 P HA 0.196 nan 4.420 nan 0.000 0.281 368 P C -0.640 176.689 177.300 0.048 0.000 1.281 368 P CA -0.267 62.831 63.100 -0.003 0.000 0.811 368 P CB 0.606 32.289 31.700 -0.029 0.000 1.154 369 T N 1.614 116.222 114.554 0.091 0.000 2.929 369 T HA 0.416 4.766 4.350 0.000 0.000 0.331 369 T C 0.592 175.339 174.700 0.079 0.000 1.120 369 T CA -0.398 61.773 62.100 0.118 0.000 0.973 369 T CB -0.746 68.249 68.868 0.211 0.000 1.036 369 T HN 0.268 nan 8.240 nan 0.000 0.502 370 I N 0.575 121.170 120.570 0.043 0.000 3.079 370 I HA 0.367 4.537 4.170 0.000 0.000 0.295 370 I C 0.577 176.722 176.117 0.046 0.000 1.094 370 I CA -0.545 60.775 61.300 0.032 0.000 1.295 370 I CB 0.360 38.361 38.000 0.003 0.000 1.443 370 I HN 0.434 nan 8.210 nan 0.000 0.607 371 N N -0.199 118.539 118.700 0.064 0.000 2.900 371 N HA -0.201 4.539 4.740 0.000 0.000 0.240 371 N C -0.267 175.289 175.510 0.077 0.000 0.953 371 N CA 1.086 54.194 53.050 0.098 0.000 0.950 371 N CB -1.333 37.203 38.487 0.081 0.000 1.102 371 N HN 0.661 nan 8.380 nan 0.000 0.593 372 L N 2.145 123.412 121.223 0.073 0.000 2.325 372 L HA 0.177 4.517 4.340 0.000 0.000 0.284 372 L C 1.203 178.114 176.870 0.069 0.000 1.089 372 L CA 0.667 55.553 54.840 0.076 0.000 0.836 372 L CB 0.324 42.447 42.059 0.108 0.000 1.184 372 L HN 0.067 nan 8.230 nan 0.000 0.444 373 E N 2.661 122.893 120.200 0.055 0.000 2.279 373 E HA 0.179 4.529 4.350 0.000 0.000 0.199 373 E C -0.300 176.327 176.600 0.046 0.000 0.893 373 E CA 0.233 56.658 56.400 0.042 0.000 0.978 373 E CB 0.473 30.186 29.700 0.021 0.000 0.964 373 E HN 0.645 nan 8.360 nan 0.000 0.486 374 N N 2.315 121.043 118.700 0.045 0.000 2.664 374 N HA 0.197 4.937 4.740 0.000 0.000 0.257 374 N C -2.787 172.759 175.510 0.061 0.000 1.108 374 N CA -1.249 51.830 53.050 0.049 0.000 0.822 374 N CB 1.753 40.261 38.487 0.034 0.000 1.199 374 N HN 0.006 nan 8.380 nan 0.000 0.529 375 P HA 0.075 nan 4.420 nan 0.000 0.275 375 P C -0.504 176.854 177.300 0.096 0.000 1.228 375 P CA -0.096 63.068 63.100 0.105 0.000 0.786 375 P CB 1.088 32.889 31.700 0.168 0.000 0.927 376 D N 3.099 123.554 120.400 0.092 0.000 2.390 376 D HA 0.002 4.642 4.640 0.000 0.000 0.236 376 D C -1.243 175.113 176.300 0.095 0.000 1.189 376 D CA -1.013 53.035 54.000 0.080 0.000 0.887 376 D CB -0.058 40.786 40.800 0.074 0.000 1.198 376 D HN 0.241 nan 8.370 nan 0.000 0.444 377 P HA -0.121 nan 4.420 nan 0.000 0.218 377 P C 0.787 178.143 177.300 0.094 0.000 1.148 377 P CA 1.082 64.229 63.100 0.077 0.000 0.822 377 P CB 0.352 32.087 31.700 0.058 0.000 0.784 378 E N -1.742 118.516 120.200 0.095 0.000 2.435 378 E HA 0.005 4.355 4.350 0.000 0.000 0.195 378 E C 0.192 176.875 176.600 0.139 0.000 1.029 378 E CA 0.360 56.822 56.400 0.103 0.000 0.865 378 E CB -0.579 29.172 29.700 0.084 0.000 0.833 378 E HN 0.213 nan 8.360 nan 0.000 0.510 379 C N 3.336 122.742 119.300 0.177 0.000 2.250 379 C HA 0.175 4.636 4.460 0.000 0.000 0.380 379 C C 0.700 175.881 174.990 0.319 0.000 1.075 379 C CA -0.999 58.187 59.018 0.280 0.000 1.577 379 C CB -0.995 26.901 27.740 0.260 0.000 1.608 379 C HN 0.241 nan 8.230 nan 0.000 0.477 380 D N 0.557 121.066 120.400 0.183 0.000 2.525 380 D HA 0.130 4.770 4.640 0.000 0.000 0.229 380 D C 0.359 176.631 176.300 -0.047 0.000 1.202 380 D CA -0.028 54.046 54.000 0.124 0.000 0.828 380 D CB 0.148 41.059 40.800 0.184 0.000 1.008 380 D HN 0.429 nan 8.370 nan 0.000 0.493 381 L N -0.398 120.569 121.223 -0.426 0.000 2.472 381 L HA 0.322 4.662 4.340 0.000 0.000 0.256 381 L C 0.400 176.735 176.870 -0.891 0.000 1.111 381 L CA -1.001 53.391 54.840 -0.748 0.000 0.800 381 L CB 0.670 42.147 42.059 -0.971 0.000 1.286 381 L HN -0.153 nan 8.230 nan 0.000 0.479 382 D N -0.438 119.578 120.400 -0.639 0.000 2.393 382 D HA 0.101 4.741 4.640 0.000 0.000 0.232 382 D C -0.200 175.822 176.300 -0.463 0.000 1.192 382 D CA -0.055 53.703 54.000 -0.404 0.000 0.882 382 D CB 0.345 41.026 40.800 -0.199 0.000 1.038 382 D HN 0.218 nan 8.370 nan 0.000 0.499 383 Y N 2.307 122.526 120.300 -0.134 0.000 2.495 383 Y HA 0.138 4.688 4.550 -0.000 0.000 0.293 383 Y C 1.112 177.001 175.900 -0.019 0.000 1.186 383 Y CA -0.521 57.496 58.100 -0.138 0.000 1.266 383 Y CB -0.191 38.136 38.460 -0.222 0.000 1.101 383 Y HN 0.157 nan 8.280 nan 0.000 0.517 384 V N 0.694 120.653 119.914 0.074 0.000 5.830 384 V HA -0.240 3.880 4.120 0.000 0.000 0.274 384 V C -2.269 173.870 176.094 0.075 0.000 0.632 384 V CA -0.543 61.792 62.300 0.059 0.000 0.594 384 V CB -1.728 30.130 31.823 0.058 0.000 0.249 384 V HN 0.263 nan 8.190 nan 0.000 0.697 385 P HA 0.347 nan 4.420 nan 0.000 0.272 385 P C 1.279 178.604 177.300 0.042 0.000 1.223 385 P CA 1.450 64.598 63.100 0.080 0.000 0.784 385 P CB 1.477 33.230 31.700 0.089 0.000 0.923 386 G N 2.309 111.131 108.800 0.036 0.000 5.431 386 G HA2 -0.274 3.686 3.960 0.000 0.000 0.322 386 G HA3 -0.274 3.686 3.960 0.000 0.000 0.322 386 G C -0.164 174.730 174.900 -0.010 0.000 1.370 386 G CA 0.481 45.590 45.100 0.015 0.000 0.963 386 G HN 0.636 nan 8.290 nan 0.000 0.797 387 Q N 0.656 120.444 119.800 -0.020 0.000 2.399 387 Q HA 0.660 5.000 4.340 0.000 0.000 0.276 387 Q C 0.413 176.374 176.000 -0.066 0.000 1.098 387 Q CA 0.092 55.867 55.803 -0.048 0.000 0.827 387 Q CB 1.923 30.634 28.738 -0.044 0.000 1.386 387 Q HN 0.928 nan 8.270 nan 0.000 0.443 388 S N 0.750 116.385 115.700 -0.108 0.000 2.580 388 S HA 0.403 4.873 4.470 0.000 0.000 0.266 388 S C -0.281 174.259 174.600 -0.101 0.000 1.354 388 S CA -0.590 57.525 58.200 -0.141 0.000 1.008 388 S CB 0.825 63.892 63.200 -0.222 0.000 0.898 388 S HN 0.588 nan 8.310 nan 0.000 0.555 389 R N -0.034 120.406 120.500 -0.100 0.000 2.651 389 R HA 0.570 4.910 4.340 0.000 0.000 0.278 389 R C -0.886 175.377 176.300 -0.062 0.000 1.010 389 R CA -0.685 55.374 56.100 -0.068 0.000 0.896 389 R CB 1.791 32.059 30.300 -0.053 0.000 1.211 389 R HN 0.928 nan 8.270 nan 0.000 0.456 390 A N 3.496 126.293 122.820 -0.039 0.000 2.440 390 A HA 0.484 4.804 4.320 0.000 0.000 0.251 390 A C -0.953 176.617 177.584 -0.023 0.000 1.089 390 A CA -0.045 51.979 52.037 -0.022 0.000 0.779 390 A CB 0.437 19.430 19.000 -0.011 0.000 1.022 390 A HN 0.554 nan 8.150 nan 0.000 0.492 391 L N 2.835 124.047 121.223 -0.018 0.000 2.643 391 L HA 0.372 4.712 4.340 0.000 0.000 0.257 391 L C -1.341 175.530 176.870 0.002 0.000 0.922 391 L CA -0.509 54.324 54.840 -0.012 0.000 0.909 391 L CB 1.486 43.529 42.059 -0.027 0.000 1.424 391 L HN 0.571 nan 8.230 nan 0.000 0.422 392 I N 5.276 125.855 120.570 0.015 0.000 2.494 392 I HA 0.156 4.326 4.170 0.000 0.000 0.289 392 I C -0.057 176.084 176.117 0.039 0.000 1.106 392 I CA 0.102 61.416 61.300 0.024 0.000 1.369 392 I CB 0.797 38.812 38.000 0.026 0.000 1.410 392 I HN 0.287 nan 8.210 nan 0.000 0.523 393 V N 7.332 127.271 119.914 0.041 0.000 2.270 393 V HA 0.108 4.228 4.120 0.000 0.000 0.263 393 V C 0.962 177.103 176.094 0.078 0.000 1.066 393 V CA -0.339 62.003 62.300 0.070 0.000 0.857 393 V CB 1.028 32.885 31.823 0.057 0.000 1.099 393 V HN 0.664 nan 8.190 nan 0.000 0.476 394 D N 3.778 124.228 120.400 0.083 0.000 2.201 394 D HA 0.021 4.661 4.640 0.000 0.000 0.209 394 D C 0.379 176.736 176.300 0.096 0.000 0.961 394 D CA 0.973 55.018 54.000 0.075 0.000 0.861 394 D CB 0.581 41.417 40.800 0.060 0.000 0.997 394 D HN 0.356 nan 8.370 nan 0.000 0.486 395 V N 0.448 120.431 119.914 0.114 0.000 2.686 395 V HA 0.782 4.902 4.120 0.000 0.000 0.306 395 V C -0.749 175.441 176.094 0.160 0.000 1.065 395 V CA -0.812 61.563 62.300 0.125 0.000 0.894 395 V CB 1.581 33.461 31.823 0.095 0.000 1.004 395 V HN 0.202 nan 8.190 nan 0.000 0.424 396 A N 5.433 128.366 122.820 0.189 0.000 2.449 396 A HA 0.960 5.280 4.320 0.000 0.000 0.302 396 A C -1.309 176.385 177.584 0.184 0.000 1.048 396 A CA -0.533 51.628 52.037 0.206 0.000 0.708 396 A CB 1.471 20.652 19.000 0.302 0.000 1.274 396 A HN 0.748 nan 8.150 nan 0.000 0.410 397 L N 0.841 122.107 121.223 0.071 0.000 2.333 397 L HA 0.787 5.127 4.340 0.000 0.000 0.269 397 L C 0.275 177.152 176.870 0.011 0.000 1.010 397 L CA -0.754 54.121 54.840 0.058 0.000 0.818 397 L CB 2.174 44.242 42.059 0.014 0.000 1.306 397 L HN 0.634 nan 8.230 nan 0.000 0.430 398 S N 1.254 116.986 115.700 0.053 0.000 2.605 398 S HA 0.505 4.975 4.470 0.000 0.000 0.308 398 S C -0.952 173.608 174.600 -0.067 0.000 1.113 398 S CA -0.769 57.434 58.200 0.007 0.000 1.049 398 S CB 0.760 64.018 63.200 0.098 0.000 1.001 398 S HN 0.578 nan 8.310 nan 0.000 0.480 399 N N 2.237 120.831 118.700 -0.176 0.000 2.443 399 N HA 0.540 5.280 4.740 0.000 0.000 0.295 399 N C -1.312 173.842 175.510 -0.593 0.000 1.076 399 N CA -0.417 52.369 53.050 -0.439 0.000 0.919 399 N CB 1.846 39.962 38.487 -0.619 0.000 1.176 399 N HN 0.457 nan 8.380 nan 0.000 0.487 400 S N 1.446 116.650 115.700 -0.827 0.000 2.776 400 S HA 0.454 4.924 4.470 0.000 0.000 0.284 400 S C -1.329 172.759 174.600 -0.853 0.000 1.160 400 S CA -0.550 57.150 58.200 -0.833 0.000 1.051 400 S CB 0.230 63.225 63.200 -0.342 0.000 1.037 400 S HN 0.290 nan 8.310 nan 0.000 0.485 401 F N 2.057 121.433 119.950 -0.956 0.000 2.366 401 F HA 0.502 5.029 4.527 0.000 0.000 0.357 401 F C 0.944 176.483 175.800 -0.436 0.000 1.107 401 F CA -1.182 56.546 58.000 -0.454 0.000 1.208 401 F CB 0.717 39.579 39.000 -0.231 0.000 1.464 401 F HN 0.592 nan 8.300 nan 0.000 0.501 402 G N 0.647 109.377 108.800 -0.117 0.000 2.476 402 G HA2 0.431 4.391 3.960 0.000 0.000 0.286 402 G HA3 0.431 4.391 3.960 0.000 0.000 0.286 402 G C -0.535 174.391 174.900 0.043 0.000 1.177 402 G CA -0.482 44.547 45.100 -0.118 0.000 0.870 402 G HN 0.143 nan 8.290 nan 0.000 0.528 403 F N 0.402 120.490 119.950 0.230 0.000 2.623 403 F HA 0.357 4.884 4.527 0.000 0.000 0.383 403 F C 1.579 177.477 175.800 0.163 0.000 1.077 403 F CA 1.054 59.169 58.000 0.193 0.000 1.268 403 F CB 0.630 39.757 39.000 0.212 0.000 1.053 403 F HN 0.828 nan 8.300 nan 0.000 0.571 404 G N 0.532 109.459 108.800 0.212 0.000 2.255 404 G HA2 0.155 4.115 3.960 0.000 0.000 0.196 404 G HA3 0.155 4.115 3.960 0.000 0.000 0.196 404 G C 0.901 175.575 174.900 -0.378 0.000 0.998 404 G CA -0.007 45.063 45.100 -0.050 0.000 0.656 404 G HN 1.812 nan 8.290 nan 0.000 0.490 405 G N -0.368 108.299 108.800 -0.222 0.000 2.141 405 G HA2 -0.197 3.763 3.960 0.000 0.000 0.231 405 G HA3 -0.197 3.763 3.960 0.000 0.000 0.231 405 G C 0.054 174.832 174.900 -0.203 0.000 0.984 405 G CA 0.520 45.519 45.100 -0.168 0.000 0.660 405 G HN 1.356 nan 8.290 nan 0.000 0.525 406 H N 1.140 120.260 119.070 0.083 0.000 2.800 406 H HA 0.311 4.867 4.556 0.000 0.000 0.291 406 H C -0.100 175.290 175.328 0.104 0.000 1.076 406 H CA -0.111 55.979 56.048 0.070 0.000 1.452 406 H CB 0.441 30.237 29.762 0.057 0.000 1.461 406 H HN 0.201 nan 8.280 nan 0.000 0.488 407 N N 3.426 122.254 118.700 0.212 0.000 2.446 407 N HA 0.247 4.987 4.740 0.000 0.000 0.265 407 N C -0.612 175.062 175.510 0.274 0.000 0.975 407 N CA -0.391 52.849 53.050 0.316 0.000 0.928 407 N CB 2.585 41.146 38.487 0.122 0.000 1.160 407 N HN 0.234 nan 8.380 nan 0.000 0.495 408 V N 1.434 121.507 119.914 0.265 0.000 2.709 408 V HA 0.552 4.672 4.120 0.000 0.000 0.308 408 V C -0.097 176.065 176.094 0.112 0.000 1.062 408 V CA -0.513 61.889 62.300 0.171 0.000 0.901 408 V CB 2.245 34.156 31.823 0.147 0.000 1.003 408 V HN 0.554 nan 8.190 nan 0.000 0.425 409 T N 5.546 120.193 114.554 0.156 0.000 2.881 409 T HA 0.666 5.016 4.350 0.000 0.000 0.290 409 T C -0.735 174.036 174.700 0.118 0.000 1.000 409 T CA -0.397 61.766 62.100 0.104 0.000 0.978 409 T CB 1.262 70.211 68.868 0.135 0.000 0.997 409 T HN 0.380 nan 8.240 nan 0.000 0.443 410 L N 2.181 123.429 121.223 0.041 0.000 2.334 410 L HA 0.892 5.232 4.340 0.000 0.000 0.273 410 L C -0.032 176.735 176.870 -0.172 0.000 1.013 410 L CA -1.171 53.613 54.840 -0.094 0.000 0.816 410 L CB 1.665 43.658 42.059 -0.110 0.000 1.278 410 L HN 0.716 nan 8.230 nan 0.000 0.431 411 A N 2.632 125.206 122.820 -0.409 0.000 2.356 411 A HA 0.877 5.197 4.320 0.000 0.000 0.310 411 A C -1.320 175.914 177.584 -0.583 0.000 1.075 411 A CA -0.298 51.565 52.037 -0.290 0.000 0.746 411 A CB 0.906 19.833 19.000 -0.122 0.000 1.221 411 A HN 0.500 nan 8.150 nan 0.000 0.443 412 F N 0.969 120.891 119.950 -0.045 0.000 2.603 412 F HA 0.741 5.268 4.527 0.000 0.000 0.317 412 F C 0.336 176.143 175.800 0.012 0.000 1.066 412 F CA -0.472 57.503 58.000 -0.040 0.000 0.941 412 F CB 2.586 41.563 39.000 -0.038 0.000 1.291 412 F HN 0.723 nan 8.300 nan 0.000 0.472 413 K N -0.030 120.505 120.400 0.226 0.000 2.555 413 K HA 0.520 4.840 4.320 0.000 0.000 0.279 413 K C -1.707 174.987 176.600 0.157 0.000 0.986 413 K CA -1.272 55.110 56.287 0.158 0.000 0.880 413 K CB 1.843 34.408 32.500 0.109 0.000 1.474 413 K HN 0.477 nan 8.250 nan 0.000 0.433 414 K N 1.113 121.584 120.400 0.119 0.000 2.485 414 K HA -0.055 4.265 4.320 0.000 0.000 0.277 414 K C -0.687 175.997 176.600 0.141 0.000 0.990 414 K CA -0.142 56.212 56.287 0.113 0.000 0.994 414 K CB 0.067 32.604 32.500 0.062 0.000 0.906 414 K HN 0.488 nan 8.250 nan 0.000 0.488 415 Y N 3.205 123.533 120.300 0.047 0.000 2.393 415 Y HA 0.068 4.618 4.550 0.000 0.000 0.338 415 Y C -0.275 175.641 175.900 0.028 0.000 1.029 415 Y CA 0.212 58.337 58.100 0.043 0.000 1.239 415 Y CB 0.470 38.954 38.460 0.040 0.000 1.170 415 Y HN 0.517 nan 8.280 nan 0.000 0.515 416 Q N 0.000 119.446 119.800 -0.590 0.000 2.315 416 Q HA 0.000 4.340 4.340 0.000 0.000 0.214 416 Q CA 0.000 55.467 55.803 -0.559 0.000 1.022 416 Q CB 0.000 28.606 28.738 -0.219 0.000 1.108 416 Q HN 0.000 nan 8.270 nan 0.000 0.481