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 2oas_1_B DATA FIRST_RESID 2 DATA SEQUENCE PAIVCQSALE AVSLIRSGET LWTHSXGATP KVLLDALAKH ALTLDNITLL DATA SEQUENCE QLHTEGAESL SHPSLLGHLR HRCFFGGVPT RPLLQSGDAD YVPIFLSEVP DATA SEQUENCE KLFRSGEQKI DTAIIQVSPP DKHGXCSLGI SVEATLAACQ VAGKIIAHIN DATA SEQUENCE PQXPRTHGDG FIHIDRFAAV YEQSASLPIH SFATGDAVSL AIGQHVAELV DATA SEQUENCE RDGDCLQXGI GAIPDAVLSC LTGHKDLGVH TELFSDGILQ LVEKGVINNT DATA SEQUENCE KKRFYPGKLV TGFALGSQKL YDYVDDNPAV IFXDIEQVND TSIIRKNPNV DATA SEQUENCE XAINSALQVD LTGQVCADSI GTKIYSGVGG QXDFIRGAGL SEGGRSVIAL DATA SEQUENCE PSTAAGGRIS RIASVLSPGA GVVTTRAHVH YIVTEYGAAN LKGRSLRERA DATA SEQUENCE QALINIAHPD FREQLSRDAF EVWGLNL 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 2 P HA 0.000 nan 4.420 nan 0.000 0.216 2 P C 0.000 177.330 177.300 0.051 0.000 1.155 2 P CA 0.000 63.122 63.100 0.037 0.000 0.800 2 P CB 0.000 31.718 31.700 0.031 0.000 0.726 3 A N 0.962 123.819 122.820 0.062 0.000 2.340 3 A HA 0.642 4.962 4.320 -0.000 0.000 0.268 3 A C 0.306 177.936 177.584 0.076 0.000 1.100 3 A CA -0.456 51.636 52.037 0.091 0.000 0.803 3 A CB 0.393 19.474 19.000 0.135 0.000 1.043 3 A HN 0.260 nan 8.150 nan 0.000 0.488 4 I N 2.209 122.826 120.570 0.077 0.000 2.337 4 I HA 0.134 4.304 4.170 -0.000 0.000 0.291 4 I C -0.358 175.802 176.117 0.072 0.000 1.046 4 I CA -0.427 60.910 61.300 0.061 0.000 1.324 4 I CB 1.303 39.331 38.000 0.047 0.000 1.409 4 I HN 0.257 nan 8.210 nan 0.000 0.494 5 V N 6.503 126.456 119.914 0.065 0.000 2.287 5 V HA 0.026 4.146 4.120 -0.000 0.000 0.246 5 V C 0.482 176.627 176.094 0.084 0.000 1.165 5 V CA -0.366 61.979 62.300 0.074 0.000 1.088 5 V CB -0.546 31.310 31.823 0.055 0.000 1.242 5 V HN 0.830 nan 8.190 nan 0.000 0.497 6 C N 3.716 123.083 119.300 0.112 0.000 2.689 6 C HA 0.112 4.572 4.460 -0.000 0.000 0.409 6 C C 1.775 176.876 174.990 0.185 0.000 1.293 6 C CA -0.190 58.896 59.018 0.114 0.000 2.136 6 C CB 0.553 28.348 27.740 0.092 0.000 2.719 6 C HN 0.833 nan 8.230 nan 0.000 0.644 7 Q N 0.623 120.497 119.800 0.124 0.000 2.356 7 Q HA 0.142 4.482 4.340 -0.000 0.000 0.205 7 Q C 0.553 176.647 176.000 0.157 0.000 0.901 7 Q CA 0.323 56.219 55.803 0.155 0.000 0.938 7 Q CB 0.269 29.052 28.738 0.076 0.000 1.081 7 Q HN 0.952 nan 8.270 nan 0.000 0.517 8 S N -3.073 112.591 115.700 -0.060 0.000 2.570 8 S HA 0.720 5.190 4.470 -0.000 0.000 0.270 8 S C 0.468 174.556 174.600 -0.853 0.000 1.149 8 S CA -0.430 57.491 58.200 -0.465 0.000 0.837 8 S CB 1.060 64.114 63.200 -0.244 0.000 1.124 8 S HN -0.018 nan 8.310 nan 0.000 0.465 9 A N 1.192 123.278 122.820 -1.222 0.000 1.940 9 A HA 0.039 4.359 4.320 -0.000 0.000 0.219 9 A C 1.922 179.269 177.584 -0.396 0.000 1.176 9 A CA 1.481 53.033 52.037 -0.808 0.000 0.631 9 A CB -0.982 17.672 19.000 -0.577 0.000 0.814 9 A HN 0.940 nan 8.150 nan 0.000 0.446 10 L N -0.730 120.298 121.223 -0.325 0.000 2.083 10 L HA -0.188 4.152 4.340 -0.000 0.000 0.209 10 L C 2.549 179.278 176.870 -0.236 0.000 1.083 10 L CA 2.027 56.729 54.840 -0.230 0.000 0.752 10 L CB -0.254 41.706 42.059 -0.165 0.000 0.899 10 L HN 0.650 nan 8.230 nan 0.000 0.433 11 E N -0.346 119.727 120.200 -0.211 0.000 2.106 11 E HA -0.232 4.118 4.350 -0.000 0.000 0.192 11 E C 2.061 178.574 176.600 -0.144 0.000 0.984 11 E CA 1.056 57.365 56.400 -0.152 0.000 0.806 11 E CB 0.007 29.647 29.700 -0.099 0.000 0.750 11 E HN 0.595 nan 8.360 nan 0.000 0.458 12 A N 0.380 123.113 122.820 -0.144 0.000 1.873 12 A HA -0.101 4.219 4.320 -0.000 0.000 0.215 12 A C 2.335 179.839 177.584 -0.133 0.000 1.186 12 A CA 1.248 53.231 52.037 -0.089 0.000 0.616 12 A CB -0.505 18.475 19.000 -0.033 0.000 0.823 12 A HN 0.215 nan 8.150 nan 0.000 0.442 13 V N 0.120 119.916 119.914 -0.197 0.000 2.759 13 V HA -0.172 3.948 4.120 -0.000 0.000 0.256 13 V C 2.609 178.437 176.094 -0.443 0.000 1.080 13 V CA 1.886 64.048 62.300 -0.231 0.000 1.101 13 V CB -0.709 30.994 31.823 -0.199 0.000 0.698 13 V HN 0.533 nan 8.190 nan 0.000 0.477 14 S N 0.541 115.907 115.700 -0.556 0.000 2.387 14 S HA -0.208 4.262 4.470 -0.000 0.000 0.230 14 S C 1.846 176.297 174.600 -0.248 0.000 1.035 14 S CA 1.482 59.282 58.200 -0.666 0.000 1.014 14 S CB -0.376 62.632 63.200 -0.319 0.000 0.836 14 S HN 0.420 nan 8.310 nan 0.000 0.466 15 L N 1.204 122.348 121.223 -0.133 0.000 2.187 15 L HA 0.019 4.359 4.340 -0.000 0.000 0.213 15 L C 0.813 177.695 176.870 0.020 0.000 1.100 15 L CA 0.963 55.784 54.840 -0.032 0.000 0.765 15 L CB -0.962 41.084 42.059 -0.022 0.000 0.904 15 L HN 0.298 nan 8.230 nan 0.000 0.437 16 I N 0.748 121.335 120.570 0.029 0.000 2.668 16 I HA -0.059 4.111 4.170 -0.000 0.000 0.285 16 I C 0.673 176.889 176.117 0.165 0.000 1.168 16 I CA 0.274 61.630 61.300 0.094 0.000 1.424 16 I CB 0.044 38.112 38.000 0.114 0.000 1.377 16 I HN 0.140 nan 8.210 nan 0.000 0.560 17 R N 3.965 124.516 120.500 0.086 0.000 2.828 17 R HA 0.486 4.826 4.340 -0.000 0.000 0.264 17 R C -0.346 175.970 176.300 0.025 0.000 1.022 17 R CA -0.854 55.282 56.100 0.061 0.000 1.021 17 R CB 1.657 31.981 30.300 0.041 0.000 1.163 17 R HN 0.514 nan 8.270 nan 0.000 0.494 18 S N -0.153 115.549 115.700 0.003 0.000 2.573 18 S HA 0.240 4.710 4.470 -0.000 0.000 0.277 18 S C 1.132 175.727 174.600 -0.008 0.000 1.346 18 S CA 0.936 59.129 58.200 -0.012 0.000 1.034 18 S CB 0.506 63.693 63.200 -0.022 0.000 0.879 18 S HN 0.828 nan 8.310 nan 0.000 0.528 19 G N 1.197 109.988 108.800 -0.015 0.000 2.189 19 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.267 19 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.267 19 G C -0.116 174.780 174.900 -0.006 0.000 0.975 19 G CA 0.390 45.482 45.100 -0.012 0.000 0.644 19 G HN 0.698 nan 8.290 nan 0.000 0.537 20 E N 0.629 120.828 120.200 -0.001 0.000 2.390 20 E HA 0.417 4.767 4.350 -0.000 0.000 0.261 20 E C -0.095 176.507 176.600 0.002 0.000 1.076 20 E CA 0.325 56.727 56.400 0.004 0.000 0.905 20 E CB 0.532 30.239 29.700 0.011 0.000 0.984 20 E HN 0.141 nan 8.360 nan 0.000 0.427 21 T N 3.137 117.697 114.554 0.009 0.000 2.749 21 T HA 0.384 4.734 4.350 -0.000 0.000 0.287 21 T C -0.116 174.599 174.700 0.026 0.000 0.970 21 T CA -0.487 61.624 62.100 0.017 0.000 0.980 21 T CB 0.222 69.108 68.868 0.029 0.000 0.924 21 T HN 0.196 nan 8.240 nan 0.000 0.456 22 L N 2.576 123.818 121.223 0.031 0.000 2.322 22 L HA 0.686 5.026 4.340 -0.000 0.000 0.269 22 L C -0.500 176.442 176.870 0.120 0.000 1.012 22 L CA -1.083 53.786 54.840 0.048 0.000 0.815 22 L CB 1.902 43.963 42.059 0.005 0.000 1.295 22 L HN 0.602 nan 8.230 nan 0.000 0.438 23 W N 1.357 122.622 121.300 -0.059 0.000 2.819 23 W HA 0.536 5.196 4.660 -0.000 0.000 0.337 23 W C -1.447 175.067 176.519 -0.009 0.000 1.077 23 W CA -0.489 56.836 57.345 -0.032 0.000 1.226 23 W CB 2.194 31.587 29.460 -0.110 0.000 1.419 23 W HN 0.453 nan 8.180 nan 0.000 0.502 24 T N 3.165 117.069 114.554 -1.082 0.000 2.876 24 T HA 0.275 4.625 4.350 -0.000 0.000 0.289 24 T C -0.797 173.430 174.700 -0.789 0.000 1.014 24 T CA -0.336 61.348 62.100 -0.693 0.000 0.986 24 T CB 0.850 69.481 68.868 -0.395 0.000 1.021 24 T HN 0.543 nan 8.240 nan 0.000 0.458 25 H N 2.401 121.281 119.070 -0.317 0.000 2.972 25 H HA 0.297 4.853 4.556 -0.000 0.000 0.343 25 H C 0.321 175.531 175.328 -0.197 0.000 1.054 25 H CA 0.168 56.158 56.048 -0.096 0.000 1.412 25 H CB 0.549 30.292 29.762 -0.032 0.000 1.385 25 H HN 0.518 nan 8.280 nan 0.000 0.600 29 A N 0.622 123.265 122.820 -0.294 0.000 2.308 29 A HA 0.475 4.795 4.320 -0.000 0.000 0.217 29 A C 1.184 178.602 177.584 -0.277 0.000 1.216 29 A CA 0.846 52.614 52.037 -0.448 0.000 0.864 29 A CB -0.280 18.077 19.000 -1.073 0.000 0.902 29 A HN 0.251 nan 8.150 nan 0.000 0.499 30 T N 3.453 117.910 114.554 -0.161 0.000 2.765 30 T HA 0.129 4.479 4.350 -0.000 0.000 0.275 30 T C -2.423 172.257 174.700 -0.034 0.000 1.007 30 T CA 0.193 62.243 62.100 -0.082 0.000 1.175 30 T CB 0.187 69.011 68.868 -0.073 0.000 0.993 30 T HN 0.137 nan 8.240 nan 0.000 0.510 31 P HA 0.147 nan 4.420 nan 0.000 0.235 31 P C 0.852 178.138 177.300 -0.023 0.000 1.765 31 P CA -0.192 62.931 63.100 0.039 0.000 1.034 31 P CB 0.108 31.842 31.700 0.056 0.000 1.984 32 K N 0.864 121.248 120.400 -0.027 0.000 2.059 32 K HA -0.170 4.149 4.320 -0.000 0.000 0.212 32 K C 1.490 178.042 176.600 -0.081 0.000 1.050 32 K CA 1.675 57.936 56.287 -0.043 0.000 0.927 32 K CB -0.415 32.072 32.500 -0.022 0.000 0.714 32 K HN 0.019 nan 8.250 nan 0.000 0.447 33 V N 1.181 121.009 119.914 -0.144 0.000 2.332 33 V HA -0.264 3.856 4.120 -0.000 0.000 0.248 33 V C 2.287 178.273 176.094 -0.181 0.000 1.055 33 V CA 1.471 63.648 62.300 -0.206 0.000 1.038 33 V CB -0.393 31.154 31.823 -0.460 0.000 0.651 33 V HN 0.291 nan 8.190 nan 0.000 0.450 34 L N -1.151 119.973 121.223 -0.166 0.000 2.162 34 L HA 0.064 4.404 4.340 -0.000 0.000 0.205 34 L C 2.111 178.930 176.870 -0.085 0.000 1.086 34 L CA 1.496 56.269 54.840 -0.112 0.000 0.778 34 L CB -0.640 41.385 42.059 -0.057 0.000 0.928 34 L HN 0.207 nan 8.230 nan 0.000 0.446 35 L N -0.830 120.352 121.223 -0.068 0.000 2.201 35 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 35 L C 1.900 178.741 176.870 -0.049 0.000 1.105 35 L CA 0.771 55.581 54.840 -0.050 0.000 0.775 35 L CB -0.494 41.540 42.059 -0.041 0.000 0.913 35 L HN 0.248 nan 8.230 nan 0.000 0.440 36 D N 0.184 120.546 120.400 -0.062 0.000 2.183 36 D HA -0.093 4.546 4.640 -0.000 0.000 0.203 36 D C 2.224 178.482 176.300 -0.070 0.000 0.969 36 D CA 1.295 55.258 54.000 -0.061 0.000 0.842 36 D CB 0.099 40.861 40.800 -0.063 0.000 0.957 36 D HN 0.264 nan 8.370 nan 0.000 0.484 37 A N 0.429 123.196 122.820 -0.089 0.000 1.968 37 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 37 A C 2.034 179.590 177.584 -0.045 0.000 1.169 37 A CA 0.639 52.620 52.037 -0.094 0.000 0.638 37 A CB -0.443 18.467 19.000 -0.150 0.000 0.812 37 A HN 0.241 nan 8.150 nan 0.000 0.446 38 L N -0.558 120.645 121.223 -0.033 0.000 2.291 38 L HA 0.142 4.482 4.340 -0.000 0.000 0.214 38 L C 2.427 179.293 176.870 -0.007 0.000 1.120 38 L CA 1.541 56.388 54.840 0.012 0.000 0.799 38 L CB -0.550 41.508 42.059 -0.002 0.000 0.925 38 L HN 0.300 nan 8.230 nan 0.000 0.446 39 A N -0.894 121.907 122.820 -0.032 0.000 2.070 39 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 39 A C 2.214 179.753 177.584 -0.075 0.000 1.159 39 A CA 1.850 53.857 52.037 -0.049 0.000 0.656 39 A CB -0.274 18.693 19.000 -0.055 0.000 0.800 39 A HN 0.473 nan 8.150 nan 0.000 0.453 40 K N -2.276 118.090 120.400 -0.056 0.000 2.225 40 K HA 0.113 4.433 4.320 -0.000 0.000 0.204 40 K C 1.939 178.514 176.600 -0.042 0.000 1.047 40 K CA 0.826 57.074 56.287 -0.066 0.000 0.970 40 K CB -0.317 32.150 32.500 -0.055 0.000 0.939 40 K HN 0.517 nan 8.250 nan 0.000 0.472 41 H N 0.868 119.886 119.070 -0.087 0.000 2.390 41 H HA -0.059 4.497 4.556 -0.000 0.000 0.298 41 H C 1.508 176.799 175.328 -0.062 0.000 1.106 41 H CA 1.944 57.951 56.048 -0.070 0.000 1.297 41 H CB -0.149 29.575 29.762 -0.064 0.000 1.375 41 H HN 0.234 nan 8.280 nan 0.000 0.509 42 A N 0.516 123.253 122.820 -0.137 0.000 2.070 42 A HA -0.079 4.241 4.320 -0.000 0.000 0.220 42 A C 2.435 179.904 177.584 -0.193 0.000 1.159 42 A CA 1.223 53.160 52.037 -0.166 0.000 0.656 42 A CB -0.807 18.149 19.000 -0.074 0.000 0.800 42 A HN 0.523 nan 8.150 nan 0.000 0.453 43 L N -0.142 120.923 121.223 -0.263 0.000 2.265 43 L HA -0.135 4.205 4.340 -0.000 0.000 0.215 43 L C 2.620 179.377 176.870 -0.189 0.000 1.117 43 L CA 1.664 56.252 54.840 -0.420 0.000 0.782 43 L CB -0.616 41.256 42.059 -0.312 0.000 0.914 43 L HN 0.669 nan 8.230 nan 0.000 0.441 44 T N -3.471 110.992 114.554 -0.151 0.000 3.086 44 T HA 0.262 4.611 4.350 -0.000 0.000 0.250 44 T C 0.693 175.351 174.700 -0.070 0.000 1.074 44 T CA -0.166 61.878 62.100 -0.094 0.000 0.988 44 T CB 0.069 68.849 68.868 -0.145 0.000 0.988 44 T HN 0.064 nan 8.240 nan 0.000 0.530 45 L N 1.264 122.451 121.223 -0.060 0.000 2.391 45 L HA 0.763 5.103 4.340 -0.000 0.000 0.266 45 L C -0.605 176.286 176.870 0.036 0.000 1.035 45 L CA -1.325 53.487 54.840 -0.045 0.000 0.877 45 L CB 1.029 43.023 42.059 -0.109 0.000 1.504 45 L HN 0.286 nan 8.230 nan 0.000 0.503 46 D N -2.424 117.964 120.400 -0.020 0.000 2.710 46 D HA 0.127 4.767 4.640 -0.000 0.000 0.276 46 D C -0.906 175.364 176.300 -0.050 0.000 1.267 46 D CA -0.662 53.301 54.000 -0.061 0.000 0.772 46 D CB 0.716 41.444 40.800 -0.121 0.000 1.299 46 D HN 0.527 nan 8.370 nan 0.000 0.421 47 N N -0.557 118.107 118.700 -0.061 0.000 2.735 47 N HA -0.129 4.611 4.740 -0.000 0.000 0.248 47 N C -0.548 174.941 175.510 -0.036 0.000 1.083 47 N CA 0.506 53.528 53.050 -0.046 0.000 0.703 47 N CB -1.070 37.394 38.487 -0.039 0.000 1.005 47 N HN 0.491 nan 8.380 nan 0.000 0.550 48 I N 1.248 121.795 120.570 -0.039 0.000 2.325 48 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 48 I C 0.839 176.918 176.117 -0.064 0.000 1.019 48 I CA 0.145 61.420 61.300 -0.041 0.000 1.302 48 I CB 1.043 39.020 38.000 -0.039 0.000 1.401 48 I HN -0.111 nan 8.210 nan 0.000 0.485 49 T N 7.795 122.318 114.554 -0.051 0.000 2.794 49 T HA 0.508 4.858 4.350 -0.000 0.000 0.280 49 T C -0.152 174.511 174.700 -0.061 0.000 0.987 49 T CA -0.451 61.612 62.100 -0.061 0.000 0.993 49 T CB 1.729 70.580 68.868 -0.029 0.000 0.939 49 T HN 0.399 nan 8.240 nan 0.000 0.449 50 L N 4.772 125.934 121.223 -0.101 0.000 2.345 50 L HA 0.547 4.887 4.340 -0.000 0.000 0.274 50 L C -0.987 175.850 176.870 -0.056 0.000 0.999 50 L CA -0.792 53.997 54.840 -0.085 0.000 0.849 50 L CB 0.459 42.428 42.059 -0.150 0.000 1.220 50 L HN 0.558 nan 8.230 nan 0.000 0.422 51 L N 5.436 126.671 121.223 0.021 0.000 2.397 51 L HA 0.439 4.779 4.340 -0.000 0.000 0.271 51 L C 0.020 176.866 176.870 -0.040 0.000 1.148 51 L CA 0.140 55.024 54.840 0.072 0.000 0.825 51 L CB 1.234 43.554 42.059 0.435 0.000 1.117 51 L HN 0.699 nan 8.230 nan 0.000 0.456 52 Q N 1.774 121.528 119.800 -0.076 0.000 2.841 52 Q HA 0.472 4.811 4.340 -0.000 0.000 0.309 52 Q C -1.937 174.128 176.000 0.109 0.000 0.868 52 Q CA -0.887 54.756 55.803 -0.267 0.000 0.760 52 Q CB 1.560 30.152 28.738 -0.244 0.000 1.454 52 Q HN 0.301 nan 8.270 nan 0.000 0.449 53 L N -0.115 121.141 121.223 0.054 0.000 2.606 53 L HA 0.452 4.792 4.340 -0.000 0.000 0.255 53 L C -0.056 176.882 176.870 0.113 0.000 1.501 53 L CA -0.675 54.299 54.840 0.224 0.000 1.593 53 L CB 0.112 42.284 42.059 0.188 0.000 2.049 53 L HN 0.806 nan 8.230 nan 0.000 0.576 54 H N 0.263 119.310 119.070 -0.038 0.000 2.929 54 H HA 0.141 4.697 4.556 -0.000 0.000 0.317 54 H C -0.929 174.322 175.328 -0.128 0.000 1.031 54 H CA 0.598 56.617 56.048 -0.048 0.000 1.466 54 H CB 0.782 30.419 29.762 -0.208 0.000 1.482 54 H HN 0.442 nan 8.280 nan 0.000 0.561 55 T N 4.498 118.917 114.554 -0.225 0.000 2.932 55 T HA 0.331 4.681 4.350 -0.000 0.000 0.289 55 T C -0.869 173.772 174.700 -0.099 0.000 1.039 55 T CA -0.796 61.226 62.100 -0.131 0.000 1.024 55 T CB 1.010 69.784 68.868 -0.158 0.000 1.090 55 T HN 0.668 nan 8.240 nan 0.000 0.496 56 E N 1.273 121.454 120.200 -0.032 0.000 2.234 56 E HA 0.453 4.803 4.350 -0.000 0.000 0.266 56 E C 0.527 177.132 176.600 0.008 0.000 0.877 56 E CA -0.497 55.913 56.400 0.017 0.000 0.758 56 E CB 1.559 31.302 29.700 0.071 0.000 1.170 56 E HN 1.097 nan 8.360 nan 0.000 0.415 57 G N 2.388 111.201 108.800 0.021 0.000 2.198 57 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.260 57 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.260 57 G C 0.547 175.442 174.900 -0.008 0.000 1.025 57 G CA 0.457 45.571 45.100 0.023 0.000 0.769 57 G HN 0.577 nan 8.290 nan 0.000 0.507 58 A N 0.026 122.825 122.820 -0.035 0.000 2.630 58 A HA 0.543 4.863 4.320 -0.000 0.000 0.290 58 A C 1.706 179.266 177.584 -0.040 0.000 1.267 58 A CA 0.940 52.954 52.037 -0.038 0.000 0.950 58 A CB 0.026 18.994 19.000 -0.052 0.000 1.144 58 A HN 0.574 nan 8.150 nan 0.000 0.527 59 E N 0.645 120.824 120.200 -0.034 0.000 2.409 59 E HA -0.155 4.195 4.350 -0.000 0.000 0.198 59 E C 1.460 178.066 176.600 0.009 0.000 1.024 59 E CA 1.283 57.665 56.400 -0.031 0.000 0.861 59 E CB -0.780 28.908 29.700 -0.019 0.000 0.788 59 E HN 0.624 nan 8.360 nan 0.000 0.521 60 S N 0.996 116.704 115.700 0.012 0.000 2.428 60 S HA -0.020 4.450 4.470 -0.000 0.000 0.230 60 S C 2.023 176.653 174.600 0.050 0.000 1.014 60 S CA 0.292 58.505 58.200 0.021 0.000 0.957 60 S CB -0.538 62.654 63.200 -0.014 0.000 0.784 60 S HN 0.254 nan 8.310 nan 0.000 0.499 61 L N 2.232 123.492 121.223 0.063 0.000 2.599 61 L HA 0.165 4.505 4.340 -0.000 0.000 0.230 61 L C 1.896 178.900 176.870 0.225 0.000 1.141 61 L CA 0.702 55.621 54.840 0.132 0.000 0.877 61 L CB -0.266 41.906 42.059 0.189 0.000 1.009 61 L HN 0.543 nan 8.230 nan 0.000 0.447 62 S N -3.244 112.525 115.700 0.115 0.000 2.554 62 S HA 0.034 4.503 4.470 -0.000 0.000 0.226 62 S C 0.686 175.333 174.600 0.079 0.000 0.980 62 S CA -0.512 57.730 58.200 0.071 0.000 0.939 62 S CB -0.297 62.848 63.200 -0.092 0.000 0.832 62 S HN 0.315 nan 8.310 nan 0.000 0.486 63 H N 2.889 121.970 119.070 0.018 0.000 2.764 63 H HA 0.197 4.753 4.556 -0.000 0.000 0.341 63 H C -1.953 173.382 175.328 0.012 0.000 1.072 63 H CA -1.019 55.031 56.048 0.003 0.000 1.444 63 H CB 1.337 31.093 29.762 -0.010 0.000 1.458 63 H HN 0.017 nan 8.280 nan 0.000 0.572 64 P HA -0.200 nan 4.420 nan 0.000 0.218 64 P C 1.498 178.831 177.300 0.054 0.000 1.146 64 P CA 1.988 65.022 63.100 -0.109 0.000 0.820 64 P CB 0.120 31.689 31.700 -0.217 0.000 0.778 65 S N -1.378 114.468 115.700 0.243 0.000 2.442 65 S HA -0.092 4.378 4.470 -0.000 0.000 0.236 65 S C 1.670 176.320 174.600 0.084 0.000 1.007 65 S CA 0.889 59.204 58.200 0.191 0.000 0.965 65 S CB -1.077 62.247 63.200 0.206 0.000 0.773 65 S HN 0.017 nan 8.310 nan 0.000 0.504 66 L N 0.922 122.208 121.223 0.105 0.000 2.558 66 L HA 0.394 4.734 4.340 -0.000 0.000 0.225 66 L C 0.575 177.546 176.870 0.168 0.000 1.128 66 L CA 0.355 55.243 54.840 0.079 0.000 0.868 66 L CB -1.219 40.873 42.059 0.056 0.000 1.006 66 L HN 0.388 nan 8.230 nan 0.000 0.454 67 L N 0.152 121.462 121.223 0.144 0.000 2.477 67 L HA 0.243 4.583 4.340 -0.000 0.000 0.272 67 L C 1.386 178.320 176.870 0.107 0.000 1.157 67 L CA 0.701 55.600 54.840 0.098 0.000 0.889 67 L CB 0.175 42.267 42.059 0.054 0.000 1.158 67 L HN 0.429 nan 8.230 nan 0.000 0.473 68 G N 1.909 110.719 108.800 0.017 0.000 2.232 68 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.226 68 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.226 68 G C 0.619 175.370 174.900 -0.249 0.000 0.996 68 G CA 0.315 45.342 45.100 -0.121 0.000 0.626 68 G HN 0.753 nan 8.290 nan 0.000 0.509 69 H N -1.059 117.985 119.070 -0.044 0.000 2.481 69 H HA 0.634 5.190 4.556 -0.000 0.000 0.291 69 H C 0.596 175.879 175.328 -0.075 0.000 1.009 69 H CA 0.960 56.972 56.048 -0.059 0.000 1.282 69 H CB 0.567 30.293 29.762 -0.061 0.000 1.457 69 H HN 0.532 nan 8.280 nan 0.000 0.525 70 L N 0.278 121.528 121.223 0.046 0.000 2.409 70 L HA 0.523 4.863 4.340 -0.000 0.000 0.262 70 L C -1.086 175.705 176.870 -0.132 0.000 0.992 70 L CA -1.000 53.797 54.840 -0.072 0.000 0.817 70 L CB 2.043 44.033 42.059 -0.114 0.000 1.350 70 L HN 0.114 nan 8.230 nan 0.000 0.411 71 R N 1.858 122.246 120.500 -0.187 0.000 2.621 71 R HA 0.535 4.875 4.340 -0.000 0.000 0.284 71 R C -1.387 174.759 176.300 -0.257 0.000 0.998 71 R CA -0.644 55.355 56.100 -0.167 0.000 0.895 71 R CB 1.137 31.397 30.300 -0.068 0.000 1.195 71 R HN 0.850 nan 8.270 nan 0.000 0.450 72 H N 2.082 121.127 119.070 -0.041 0.000 2.610 72 H HA 0.271 4.827 4.556 -0.000 0.000 0.336 72 H C -0.313 174.972 175.328 -0.071 0.000 1.087 72 H CA -0.248 55.764 56.048 -0.061 0.000 1.405 72 H CB 1.090 30.812 29.762 -0.066 0.000 1.460 72 H HN 0.237 nan 8.280 nan 0.000 0.538 73 R N 3.338 123.829 120.500 -0.015 0.000 2.352 73 R HA 0.373 4.713 4.340 -0.000 0.000 0.304 73 R C -1.440 174.730 176.300 -0.216 0.000 1.104 73 R CA -0.451 55.583 56.100 -0.110 0.000 0.991 73 R CB 0.106 30.317 30.300 -0.148 0.000 1.140 73 R HN 0.659 nan 8.270 nan 0.000 0.540 74 C N 4.462 123.693 119.300 -0.114 0.000 2.330 74 C HA 0.338 4.798 4.460 -0.000 0.000 0.344 74 C C 1.173 176.159 174.990 -0.007 0.000 1.273 74 C CA -0.589 58.398 59.018 -0.052 0.000 1.879 74 C CB -0.114 27.680 27.740 0.089 0.000 2.376 74 C HN 0.866 nan 8.230 nan 0.000 0.534 75 F N 0.495 120.591 119.950 0.243 0.000 2.754 75 F HA 0.277 4.804 4.527 0.000 0.000 0.297 75 F C 0.530 176.566 175.800 0.395 0.000 1.122 75 F CA 0.106 58.236 58.000 0.217 0.000 1.400 75 F CB 0.290 39.433 39.000 0.239 0.000 1.117 75 F HN 0.526 nan 8.300 nan 0.000 0.587 76 F N -0.111 120.054 119.950 0.359 0.000 2.639 76 F HA 0.502 5.029 4.527 -0.000 0.000 0.326 76 F C 0.085 175.956 175.800 0.119 0.000 1.150 76 F CA -1.206 56.965 58.000 0.285 0.000 1.057 76 F CB 0.659 39.812 39.000 0.255 0.000 1.300 76 F HN -0.154 nan 8.300 nan 0.000 0.486 77 G N 1.996 110.755 108.800 -0.067 0.000 2.572 77 G HA2 0.550 4.510 3.960 -0.000 0.000 0.261 77 G HA3 0.550 4.510 3.960 -0.000 0.000 0.261 77 G C -0.248 174.575 174.900 -0.129 0.000 1.197 77 G CA 0.075 45.091 45.100 -0.140 0.000 0.870 77 G HN 1.035 nan 8.290 nan 0.000 0.548 78 G N -1.770 106.855 108.800 -0.292 0.000 2.866 78 G HA2 0.434 4.394 3.960 -0.000 0.000 0.289 78 G HA3 0.434 4.394 3.960 -0.000 0.000 0.289 78 G C 0.753 175.421 174.900 -0.388 0.000 1.396 78 G CA 0.151 44.972 45.100 -0.465 0.000 0.848 78 G HN 0.609 nan 8.290 nan 0.000 0.515 79 V N 1.460 121.166 119.914 -0.348 0.000 2.287 79 V HA -0.071 4.049 4.120 -0.000 0.000 0.248 79 V C 0.156 176.121 176.094 -0.215 0.000 1.053 79 V CA 2.510 64.661 62.300 -0.248 0.000 1.027 79 V CB -1.022 30.689 31.823 -0.186 0.000 0.646 79 V HN 0.681 nan 8.190 nan 0.000 0.447 80 P HA -0.034 nan 4.420 nan 0.000 0.241 80 P C 1.179 178.323 177.300 -0.261 0.000 1.191 80 P CA 1.580 64.556 63.100 -0.207 0.000 0.771 80 P CB -0.007 31.575 31.700 -0.198 0.000 0.929 81 T N -4.241 110.144 114.554 -0.282 0.000 2.978 81 T HA 0.209 4.559 4.350 -0.000 0.000 0.248 81 T C 1.941 176.514 174.700 -0.211 0.000 1.018 81 T CA -0.165 61.767 62.100 -0.279 0.000 1.026 81 T CB -0.253 68.447 68.868 -0.280 0.000 1.032 81 T HN -0.056 nan 8.240 nan 0.000 0.485 82 R N 2.148 122.510 120.500 -0.229 0.000 2.112 82 R HA -0.043 4.297 4.340 -0.000 0.000 0.242 82 R C -0.333 175.884 176.300 -0.137 0.000 1.137 82 R CA 2.287 58.261 56.100 -0.209 0.000 0.944 82 R CB -1.490 28.658 30.300 -0.253 0.000 0.857 82 R HN 0.426 nan 8.270 nan 0.000 0.435 83 P HA -0.150 nan 4.420 nan 0.000 0.218 83 P C 1.064 178.321 177.300 -0.072 0.000 1.149 83 P CA 1.252 64.303 63.100 -0.082 0.000 0.817 83 P CB 0.082 31.736 31.700 -0.077 0.000 0.785 84 L N -1.039 120.133 121.223 -0.085 0.000 2.131 84 L HA -0.021 4.319 4.340 -0.000 0.000 0.206 84 L C 2.832 179.676 176.870 -0.043 0.000 1.087 84 L CA 1.368 56.175 54.840 -0.056 0.000 0.767 84 L CB -1.469 40.556 42.059 -0.056 0.000 0.917 84 L HN -0.140 nan 8.230 nan 0.000 0.441 85 L N -1.327 119.857 121.223 -0.065 0.000 2.027 85 L HA -0.227 4.113 4.340 -0.000 0.000 0.206 85 L C 2.534 179.379 176.870 -0.042 0.000 1.074 85 L CA 1.196 56.007 54.840 -0.049 0.000 0.745 85 L CB -0.517 41.489 42.059 -0.089 0.000 0.898 85 L HN 0.323 nan 8.230 nan 0.000 0.433 86 Q N -0.389 119.377 119.800 -0.056 0.000 2.226 86 Q HA -0.150 4.190 4.340 -0.000 0.000 0.204 86 Q C 2.077 178.061 176.000 -0.027 0.000 0.975 86 Q CA 1.695 57.474 55.803 -0.040 0.000 0.866 86 Q CB -0.115 28.599 28.738 -0.041 0.000 0.915 86 Q HN 0.576 nan 8.270 nan 0.000 0.440 87 S N -1.134 114.550 115.700 -0.028 0.000 2.605 87 S HA 0.242 4.712 4.470 -0.000 0.000 0.217 87 S C 1.306 175.899 174.600 -0.012 0.000 0.958 87 S CA 0.160 58.348 58.200 -0.020 0.000 0.919 87 S CB 0.465 63.651 63.200 -0.024 0.000 0.780 87 S HN 0.477 nan 8.310 nan 0.000 0.507 88 G N 1.683 110.477 108.800 -0.009 0.000 2.179 88 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.257 88 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.257 88 G C 0.294 175.196 174.900 0.004 0.000 1.010 88 G CA 0.490 45.590 45.100 0.000 0.000 0.736 88 G HN 0.576 nan 8.290 nan 0.000 0.513 89 D N -0.238 120.165 120.400 0.005 0.000 2.367 89 D HA 0.403 5.043 4.640 -0.000 0.000 0.207 89 D C 1.438 177.758 176.300 0.033 0.000 1.034 89 D CA 1.125 55.134 54.000 0.015 0.000 0.861 89 D CB 0.558 41.367 40.800 0.014 0.000 0.943 89 D HN 0.788 nan 8.370 nan 0.000 0.515 90 A N 0.333 123.173 122.820 0.033 0.000 2.435 90 A HA 0.528 4.848 4.320 -0.000 0.000 0.296 90 A C -1.130 176.479 177.584 0.042 0.000 1.147 90 A CA -0.695 51.373 52.037 0.053 0.000 0.775 90 A CB 1.835 20.872 19.000 0.061 0.000 1.340 90 A HN -0.226 nan 8.150 nan 0.000 0.427 91 D N 0.156 120.583 120.400 0.045 0.000 2.256 91 D HA 0.395 5.035 4.640 -0.000 0.000 0.246 91 D C -1.587 174.764 176.300 0.086 0.000 1.042 91 D CA 0.351 54.379 54.000 0.047 0.000 0.841 91 D CB 1.767 42.572 40.800 0.009 0.000 1.223 91 D HN 0.500 nan 8.370 nan 0.000 0.470 92 Y N 1.439 121.720 120.300 -0.032 0.000 2.328 92 Y HA 0.418 4.967 4.550 -0.000 0.000 0.337 92 Y C -1.152 174.751 175.900 0.004 0.000 0.966 92 Y CA -0.691 57.393 58.100 -0.027 0.000 1.136 92 Y CB 1.060 39.502 38.460 -0.030 0.000 1.170 92 Y HN 0.062 nan 8.280 nan 0.000 0.470 93 V N 9.338 128.979 119.914 -0.456 0.000 2.293 93 V HA 0.304 4.424 4.120 -0.000 0.000 0.275 93 V C -2.174 173.600 176.094 -0.534 0.000 1.021 93 V CA -1.946 60.139 62.300 -0.358 0.000 0.815 93 V CB 0.839 32.669 31.823 0.011 0.000 1.025 93 V HN 0.689 nan 8.190 nan 0.000 0.448 94 P HA 0.392 nan 4.420 nan 0.000 0.271 94 P C -0.591 176.545 177.300 -0.274 0.000 1.226 94 P CA 0.171 62.972 63.100 -0.499 0.000 0.765 94 P CB 1.736 33.241 31.700 -0.326 0.000 0.835 95 I N 2.853 123.286 120.570 -0.230 0.000 2.752 95 I HA 0.269 4.439 4.170 -0.000 0.000 0.290 95 I C -1.055 174.907 176.117 -0.259 0.000 1.507 95 I CA -1.118 59.990 61.300 -0.320 0.000 1.038 95 I CB 1.172 39.015 38.000 -0.261 0.000 1.390 95 I HN -0.034 nan 8.210 nan 0.000 0.435 96 F N 6.110 126.045 119.950 -0.025 0.000 2.563 96 F HA 0.115 4.642 4.527 0.000 0.000 0.363 96 F C 1.165 176.943 175.800 -0.037 0.000 1.123 96 F CA 0.093 58.090 58.000 -0.004 0.000 1.307 96 F CB 0.272 39.254 39.000 -0.030 0.000 1.115 96 F HN 0.453 nan 8.300 nan 0.000 0.592 97 L N 1.879 123.232 121.223 0.215 0.000 2.042 97 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 97 L C 2.444 179.336 176.870 0.037 0.000 1.076 97 L CA 1.866 56.777 54.840 0.119 0.000 0.749 97 L CB -0.420 41.753 42.059 0.189 0.000 0.893 97 L HN 0.818 nan 8.230 nan 0.000 0.432 98 S N -1.548 114.187 115.700 0.057 0.000 2.469 98 S HA -0.127 4.343 4.470 -0.000 0.000 0.238 98 S C 1.580 176.153 174.600 -0.045 0.000 0.998 98 S CA 0.882 59.077 58.200 -0.009 0.000 0.957 98 S CB -0.342 62.830 63.200 -0.046 0.000 0.764 98 S HN 0.454 nan 8.310 nan 0.000 0.514 99 E N 1.012 121.194 120.200 -0.028 0.000 2.442 99 E HA 0.132 4.482 4.350 -0.000 0.000 0.195 99 E C 2.050 178.485 176.600 -0.274 0.000 1.030 99 E CA 0.289 56.635 56.400 -0.089 0.000 0.869 99 E CB -0.216 29.481 29.700 -0.004 0.000 0.857 99 E HN 0.476 nan 8.360 nan 0.000 0.505 100 V N 1.808 121.492 119.914 -0.383 0.000 2.295 100 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 100 V C -0.674 174.914 176.094 -0.843 0.000 1.049 100 V CA 1.898 63.753 62.300 -0.742 0.000 1.024 100 V CB -1.638 29.754 31.823 -0.718 0.000 0.648 100 V HN 0.163 nan 8.190 nan 0.000 0.447 101 P HA -0.191 nan 4.420 nan 0.000 0.216 101 P C 1.739 178.903 177.300 -0.226 0.000 1.150 101 P CA 1.479 64.397 63.100 -0.303 0.000 0.837 101 P CB -0.074 31.548 31.700 -0.131 0.000 0.786 102 K N -0.156 120.121 120.400 -0.207 0.000 2.097 102 K HA -0.145 4.175 4.320 -0.000 0.000 0.205 102 K C 1.947 178.469 176.600 -0.130 0.000 1.050 102 K CA 1.138 57.350 56.287 -0.125 0.000 0.938 102 K CB -0.785 31.658 32.500 -0.096 0.000 0.718 102 K HN 0.019 nan 8.250 nan 0.000 0.442 103 L N 0.960 122.032 121.223 -0.252 0.000 2.083 103 L HA -0.140 4.200 4.340 -0.000 0.000 0.209 103 L C 1.956 178.825 176.870 -0.002 0.000 1.083 103 L CA 1.546 56.273 54.840 -0.188 0.000 0.752 103 L CB -0.388 41.462 42.059 -0.349 0.000 0.899 103 L HN 0.097 nan 8.230 nan 0.000 0.433 104 F N -0.310 119.576 119.950 -0.106 0.000 2.118 104 F HA -0.007 4.520 4.527 -0.000 0.000 0.293 104 F C 2.645 178.405 175.800 -0.066 0.000 1.102 104 F CA 1.027 58.969 58.000 -0.096 0.000 1.247 104 F CB -1.157 37.742 39.000 -0.168 0.000 1.017 104 F HN -0.038 nan 8.300 nan 0.000 0.475 105 R N 0.440 121.019 120.500 0.131 0.000 2.096 105 R HA -0.131 4.209 4.340 -0.000 0.000 0.235 105 R C 2.263 178.590 176.300 0.044 0.000 1.127 105 R CA 1.620 57.759 56.100 0.065 0.000 0.968 105 R CB -0.626 29.693 30.300 0.033 0.000 0.861 105 R HN 0.346 nan 8.270 nan 0.000 0.440 106 S N -0.763 114.956 115.700 0.032 0.000 2.555 106 S HA 0.029 4.499 4.470 -0.000 0.000 0.230 106 S C 1.536 176.157 174.600 0.035 0.000 0.978 106 S CA 0.602 58.816 58.200 0.023 0.000 0.934 106 S CB 0.177 63.382 63.200 0.008 0.000 0.766 106 S HN 0.543 nan 8.310 nan 0.000 0.533 107 G N 1.086 109.920 108.800 0.056 0.000 2.184 107 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.264 107 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.264 107 G C 0.567 175.506 174.900 0.064 0.000 0.975 107 G CA 0.515 45.650 45.100 0.057 0.000 0.642 107 G HN 0.585 nan 8.290 nan 0.000 0.536 108 E N -0.617 119.623 120.200 0.066 0.000 2.110 108 E HA -0.070 4.280 4.350 -0.000 0.000 0.193 108 E C 1.339 177.998 176.600 0.097 0.000 0.988 108 E CA 1.353 57.791 56.400 0.063 0.000 0.804 108 E CB 0.058 29.784 29.700 0.043 0.000 0.745 108 E HN 0.526 nan 8.360 nan 0.000 0.458 109 Q N 1.223 121.117 119.800 0.157 0.000 2.339 109 Q HA 0.198 4.538 4.340 -0.000 0.000 0.268 109 Q C -1.431 174.670 176.000 0.168 0.000 1.027 109 Q CA -0.631 55.300 55.803 0.213 0.000 0.759 109 Q CB 1.208 30.170 28.738 0.374 0.000 1.244 109 Q HN -0.262 nan 8.270 nan 0.000 0.464 110 K N 3.021 123.475 120.400 0.090 0.000 2.202 110 K HA 0.495 4.815 4.320 -0.000 0.000 0.264 110 K C -0.740 175.850 176.600 -0.017 0.000 1.010 110 K CA 0.002 56.306 56.287 0.028 0.000 0.940 110 K CB 0.659 33.175 32.500 0.026 0.000 0.983 110 K HN 0.733 nan 8.250 nan 0.000 0.475 111 I N 2.990 123.515 120.570 -0.075 0.000 2.497 111 I HA 0.126 4.296 4.170 -0.000 0.000 0.284 111 I C -0.010 176.076 176.117 -0.052 0.000 1.060 111 I CA -0.495 60.744 61.300 -0.102 0.000 1.071 111 I CB 2.010 39.849 38.000 -0.269 0.000 1.216 111 I HN 0.632 nan 8.210 nan 0.000 0.442 112 D N 2.766 123.156 120.400 -0.017 0.000 2.162 112 D HA -0.023 4.617 4.640 -0.000 0.000 0.203 112 D C 0.964 177.264 176.300 0.000 0.000 0.967 112 D CA 1.444 55.441 54.000 -0.004 0.000 0.840 112 D CB 0.534 41.338 40.800 0.006 0.000 0.972 112 D HN 0.582 nan 8.370 nan 0.000 0.482 113 T N -1.632 112.927 114.554 0.007 0.000 2.982 113 T HA 0.617 4.967 4.350 -0.000 0.000 0.321 113 T C -1.797 172.927 174.700 0.039 0.000 1.229 113 T CA -0.877 61.232 62.100 0.015 0.000 1.044 113 T CB 2.091 70.967 68.868 0.013 0.000 1.184 113 T HN -0.031 nan 8.240 nan 0.000 0.477 114 A N 4.679 127.524 122.820 0.042 0.000 2.303 114 A HA 0.730 5.050 4.320 -0.000 0.000 0.320 114 A C -0.148 177.452 177.584 0.027 0.000 1.192 114 A CA -0.889 51.211 52.037 0.105 0.000 0.821 114 A CB 0.401 19.477 19.000 0.128 0.000 1.188 114 A HN 0.804 nan 8.150 nan 0.000 0.492 115 I N 4.444 125.022 120.570 0.013 0.000 2.315 115 I HA 0.423 4.593 4.170 -0.000 0.000 0.291 115 I C 0.190 176.288 176.117 -0.031 0.000 1.006 115 I CA -0.045 61.235 61.300 -0.034 0.000 1.265 115 I CB 0.078 38.052 38.000 -0.044 0.000 1.387 115 I HN 0.685 nan 8.210 nan 0.000 0.475 116 I N 2.865 123.398 120.570 -0.061 0.000 3.174 116 I HA 0.602 4.772 4.170 -0.000 0.000 0.313 116 I C -0.932 175.236 176.117 0.084 0.000 1.155 116 I CA -0.988 60.292 61.300 -0.032 0.000 0.977 116 I CB 2.593 40.435 38.000 -0.264 0.000 1.248 116 I HN 0.521 nan 8.210 nan 0.000 0.453 117 Q N 3.143 123.137 119.800 0.324 0.000 2.327 117 Q HA 0.673 5.013 4.340 -0.000 0.000 0.270 117 Q C -1.450 174.591 176.000 0.068 0.000 1.022 117 Q CA -0.703 55.179 55.803 0.133 0.000 0.773 117 Q CB 2.337 31.141 28.738 0.109 0.000 1.251 117 Q HN 0.744 nan 8.270 nan 0.000 0.457 118 V N 0.452 120.328 119.914 -0.064 0.000 3.126 118 V HA 0.778 4.898 4.120 -0.000 0.000 0.314 118 V C -0.164 175.875 176.094 -0.092 0.000 1.138 118 V CA -0.781 61.501 62.300 -0.031 0.000 1.034 118 V CB 1.641 33.501 31.823 0.062 0.000 1.075 118 V HN 0.827 nan 8.190 nan 0.000 0.442 119 S N 1.398 117.062 115.700 -0.060 0.000 2.603 119 S HA 0.558 5.028 4.470 -0.000 0.000 0.268 119 S C -2.346 172.236 174.600 -0.029 0.000 1.317 119 S CA -1.050 57.112 58.200 -0.064 0.000 1.012 119 S CB 0.597 63.770 63.200 -0.046 0.000 0.926 119 S HN 0.966 nan 8.310 nan 0.000 0.539 120 P HA 0.188 nan 4.420 nan 0.000 0.268 120 P C -2.466 174.829 177.300 -0.007 0.000 1.208 120 P CA -1.103 61.980 63.100 -0.027 0.000 0.777 120 P CB -0.791 30.886 31.700 -0.039 0.000 0.875 121 P HA 0.044 nan 4.420 nan 0.000 0.269 121 P C -0.393 176.882 177.300 -0.042 0.000 1.209 121 P CA 0.254 63.327 63.100 -0.044 0.000 0.776 121 P CB 0.479 32.122 31.700 -0.096 0.000 0.876 122 D N 1.416 121.794 120.400 -0.037 0.000 2.506 122 D HA 0.098 4.738 4.640 -0.000 0.000 0.272 122 D C 1.363 177.591 176.300 -0.121 0.000 1.214 122 D CA -0.734 53.231 54.000 -0.058 0.000 1.067 122 D CB 0.346 41.129 40.800 -0.028 0.000 1.117 122 D HN 0.335 nan 8.370 nan 0.000 0.578 123 K N -1.077 119.192 120.400 -0.218 0.000 2.228 123 K HA -0.234 4.086 4.320 -0.000 0.000 0.205 123 K C 0.897 177.308 176.600 -0.315 0.000 1.045 123 K CA 1.305 57.412 56.287 -0.301 0.000 0.931 123 K CB -0.542 31.709 32.500 -0.415 0.000 0.727 123 K HN 0.424 nan 8.250 nan 0.000 0.458 124 H N 0.694 119.751 119.070 -0.021 0.000 2.551 124 H HA 0.228 4.784 4.556 -0.000 0.000 0.271 124 H C 1.156 176.495 175.328 0.018 0.000 0.984 124 H CA 0.577 56.629 56.048 0.008 0.000 1.164 124 H CB 0.203 29.960 29.762 -0.008 0.000 1.437 124 H HN 0.489 nan 8.280 nan 0.000 0.550 128 S N -0.295 115.412 115.700 0.011 0.000 2.526 128 S HA 0.659 5.129 4.470 -0.000 0.000 0.293 128 S C 0.214 174.754 174.600 -0.099 0.000 1.092 128 S CA -0.627 57.455 58.200 -0.197 0.000 0.980 128 S CB 0.891 63.873 63.200 -0.363 0.000 1.048 128 S HN 0.658 nan 8.310 nan 0.000 0.483 129 L N 3.938 125.106 121.223 -0.092 0.000 2.622 129 L HA 0.197 4.537 4.340 -0.000 0.000 0.233 129 L C 1.853 178.723 176.870 0.001 0.000 1.156 129 L CA 0.616 55.512 54.840 0.092 0.000 0.866 129 L CB -1.452 40.682 42.059 0.126 0.000 0.980 129 L HN 1.092 nan 8.230 nan 0.000 0.448 130 G N 2.146 110.820 108.800 -0.210 0.000 2.622 130 G HA2 -0.415 3.545 3.960 -0.000 0.000 0.307 130 G HA3 -0.415 3.545 3.960 -0.000 0.000 0.307 130 G C 0.775 175.352 174.900 -0.538 0.000 1.226 130 G CA 0.476 45.365 45.100 -0.351 0.000 0.997 130 G HN 0.449 nan 8.290 nan 0.000 0.551 131 I N -1.494 118.802 120.570 -0.455 0.000 3.334 131 I HA 0.422 4.592 4.170 -0.000 0.000 0.282 131 I C 0.682 176.786 176.117 -0.022 0.000 1.313 131 I CA 1.454 62.542 61.300 -0.353 0.000 1.396 131 I CB -0.147 37.715 38.000 -0.229 0.000 1.054 131 I HN 0.186 nan 8.210 nan 0.000 0.495 132 S N 0.329 115.990 115.700 -0.064 0.000 2.746 132 S HA 0.415 4.885 4.470 -0.000 0.000 0.273 132 S C 0.509 175.288 174.600 0.299 0.000 1.172 132 S CA -0.658 57.621 58.200 0.132 0.000 1.116 132 S CB 2.175 65.312 63.200 -0.105 0.000 1.057 132 S HN 0.083 nan 8.310 nan 0.000 0.483 133 V N 2.786 122.916 119.914 0.361 0.000 2.490 133 V HA -0.018 4.102 4.120 -0.000 0.000 0.238 133 V C 1.314 177.595 176.094 0.311 0.000 1.056 133 V CA 1.185 63.668 62.300 0.305 0.000 1.075 133 V CB -0.769 31.221 31.823 0.279 0.000 0.746 133 V HN 0.965 nan 8.190 nan 0.000 0.479 134 E N 2.080 122.500 120.200 0.368 0.000 3.538 134 E HA -0.404 3.946 4.350 -0.000 0.000 0.425 134 E C 1.218 177.950 176.600 0.219 0.000 1.612 134 E CA 1.702 58.300 56.400 0.330 0.000 1.581 134 E CB -1.662 28.202 29.700 0.274 0.000 1.518 134 E HN 0.536 nan 8.360 nan 0.000 0.424 135 A N -0.303 122.645 122.820 0.213 0.000 2.390 135 A HA 0.239 4.559 4.320 -0.000 0.000 0.232 135 A C 1.847 179.439 177.584 0.014 0.000 1.233 135 A CA 0.950 53.026 52.037 0.064 0.000 0.907 135 A CB -0.027 18.925 19.000 -0.079 0.000 0.967 135 A HN 0.522 nan 8.150 nan 0.000 0.512 136 T N -0.424 114.252 114.554 0.203 0.000 2.821 136 T HA -0.103 4.247 4.350 -0.000 0.000 0.267 136 T C 1.820 176.524 174.700 0.006 0.000 1.046 136 T CA 1.474 63.682 62.100 0.180 0.000 1.139 136 T CB -0.414 68.647 68.868 0.321 0.000 0.871 136 T HN 0.302 nan 8.240 nan 0.000 0.454 137 L N 1.040 122.293 121.223 0.051 0.000 2.042 137 L HA -0.004 4.336 4.340 -0.000 0.000 0.210 137 L C 2.703 179.585 176.870 0.019 0.000 1.076 137 L CA 2.479 57.345 54.840 0.043 0.000 0.749 137 L CB -1.672 40.432 42.059 0.076 0.000 0.893 137 L HN 0.427 nan 8.230 nan 0.000 0.432 138 A N -0.483 122.347 122.820 0.018 0.000 1.930 138 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 138 A C 2.452 180.034 177.584 -0.004 0.000 1.175 138 A CA 1.514 53.574 52.037 0.039 0.000 0.627 138 A CB -0.645 18.394 19.000 0.065 0.000 0.815 138 A HN 0.558 nan 8.150 nan 0.000 0.443 139 A N -0.966 121.756 122.820 -0.163 0.000 1.898 139 A HA -0.155 4.165 4.320 -0.000 0.000 0.216 139 A C 2.218 179.651 177.584 -0.252 0.000 1.181 139 A CA 1.598 53.326 52.037 -0.516 0.000 0.620 139 A CB -1.239 17.110 19.000 -1.085 0.000 0.819 139 A HN 0.581 nan 8.150 nan 0.000 0.442 140 C N -1.195 118.035 119.300 -0.116 0.000 2.419 140 C HA -0.052 4.408 4.460 -0.000 0.000 0.283 140 C C 2.813 177.801 174.990 -0.002 0.000 1.373 140 C CA 1.227 60.230 59.018 -0.024 0.000 1.781 140 C CB -1.237 26.522 27.740 0.032 0.000 1.886 140 C HN 0.695 nan 8.230 nan 0.000 0.520 141 Q N 0.562 120.354 119.800 -0.014 0.000 2.049 141 Q HA -0.099 4.241 4.340 -0.000 0.000 0.198 141 Q C 2.294 178.290 176.000 -0.008 0.000 0.971 141 Q CA 1.968 57.775 55.803 0.007 0.000 0.833 141 Q CB -0.039 28.710 28.738 0.018 0.000 0.896 141 Q HN 0.663 nan 8.270 nan 0.000 0.434 142 V N -2.804 117.085 119.914 -0.042 0.000 3.506 142 V HA 0.440 4.560 4.120 -0.000 0.000 0.263 142 V C 0.760 176.814 176.094 -0.066 0.000 1.203 142 V CA 0.124 62.397 62.300 -0.045 0.000 1.133 142 V CB -0.796 31.001 31.823 -0.043 0.000 0.802 142 V HN 0.177 nan 8.190 nan 0.000 0.459 143 A N 1.454 124.223 122.820 -0.086 0.000 2.540 143 A HA 0.490 4.810 4.320 -0.000 0.000 0.239 143 A C 1.738 179.310 177.584 -0.019 0.000 1.061 143 A CA 0.625 52.623 52.037 -0.066 0.000 0.758 143 A CB 0.141 19.111 19.000 -0.051 0.000 0.991 143 A HN 0.674 nan 8.150 nan 0.000 0.502 144 G N 1.976 110.768 108.800 -0.014 0.000 2.446 144 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.217 144 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.217 144 G C 0.651 175.562 174.900 0.018 0.000 1.168 144 G CA 1.295 46.397 45.100 0.004 0.000 0.771 144 G HN 1.027 nan 8.290 nan 0.000 0.551 145 K N -1.323 119.089 120.400 0.021 0.000 2.512 145 K HA 0.706 5.025 4.320 -0.000 0.000 0.263 145 K C -1.684 174.936 176.600 0.034 0.000 0.966 145 K CA -1.011 55.298 56.287 0.037 0.000 0.851 145 K CB 1.927 34.447 32.500 0.033 0.000 1.395 145 K HN 0.016 nan 8.250 nan 0.000 0.440 146 I N 2.152 122.754 120.570 0.054 0.000 2.465 146 I HA 0.396 4.566 4.170 -0.000 0.000 0.291 146 I C -0.749 175.334 176.117 -0.057 0.000 1.014 146 I CA -1.050 60.252 61.300 0.003 0.000 1.093 146 I CB 1.904 39.926 38.000 0.037 0.000 1.267 146 I HN 0.493 nan 8.210 nan 0.000 0.431 147 I N 5.565 126.069 120.570 -0.110 0.000 2.382 147 I HA 0.525 4.695 4.170 -0.000 0.000 0.285 147 I C 0.045 176.039 176.117 -0.205 0.000 1.007 147 I CA -0.305 60.928 61.300 -0.112 0.000 1.142 147 I CB 1.550 39.517 38.000 -0.053 0.000 1.289 147 I HN 0.601 nan 8.210 nan 0.000 0.453 148 A N 4.870 127.496 122.820 -0.324 0.000 2.325 148 A HA 0.629 4.949 4.320 -0.000 0.000 0.333 148 A C -1.033 176.513 177.584 -0.064 0.000 1.155 148 A CA -0.402 51.408 52.037 -0.378 0.000 0.814 148 A CB 0.796 19.196 19.000 -1.000 0.000 1.206 148 A HN 0.754 nan 8.150 nan 0.000 0.482 149 H N 1.880 120.892 119.070 -0.097 0.000 2.595 149 H HA 0.557 5.113 4.556 -0.000 0.000 0.313 149 H C -1.107 174.197 175.328 -0.040 0.000 1.023 149 H CA -0.911 55.128 56.048 -0.015 0.000 1.218 149 H CB 0.256 30.035 29.762 0.029 0.000 1.403 149 H HN 0.461 nan 8.280 nan 0.000 0.477 150 I N 5.127 125.537 120.570 -0.268 0.000 2.379 150 I HA 0.095 4.265 4.170 -0.000 0.000 0.290 150 I C 0.108 175.926 176.117 -0.499 0.000 1.063 150 I CA -0.147 60.969 61.300 -0.308 0.000 1.351 150 I CB 0.200 38.125 38.000 -0.125 0.000 1.410 150 I HN 0.577 nan 8.210 nan 0.000 0.505 151 N N 9.092 127.500 118.700 -0.487 0.000 2.491 151 N HA 0.353 5.093 4.740 -0.000 0.000 0.274 151 N C -2.114 173.289 175.510 -0.179 0.000 1.023 151 N CA -2.322 50.515 53.050 -0.356 0.000 0.902 151 N CB 2.060 40.314 38.487 -0.389 0.000 1.267 151 N HN 0.106 nan 8.380 nan 0.000 0.503 152 P HA -0.105 nan 4.420 nan 0.000 0.226 152 P C -0.035 177.232 177.300 -0.056 0.000 1.146 152 P CA 1.158 64.216 63.100 -0.070 0.000 0.773 152 P CB 0.275 31.945 31.700 -0.049 0.000 0.772 156 R N 1.815 122.290 120.500 -0.042 0.000 3.266 156 R HA 0.364 4.704 4.340 -0.000 0.000 0.224 156 R C 0.341 176.641 176.300 -0.001 0.000 1.525 156 R CA 0.025 56.115 56.100 -0.018 0.000 1.364 156 R CB -0.442 29.923 30.300 0.108 0.000 1.276 156 R HN 0.602 nan 8.270 nan 0.000 0.660 157 T N -0.377 114.062 114.554 -0.193 0.000 2.926 157 T HA 0.061 4.411 4.350 -0.000 0.000 0.307 157 T C 0.271 174.977 174.700 0.010 0.000 1.059 157 T CA -0.274 61.731 62.100 -0.158 0.000 1.122 157 T CB 0.900 69.347 68.868 -0.702 0.000 0.972 157 T HN 0.469 nan 8.240 nan 0.000 0.545 158 H N 0.686 119.827 119.070 0.118 0.000 2.482 158 H HA 0.572 5.128 4.556 -0.000 0.000 0.344 158 H C 1.087 176.565 175.328 0.250 0.000 1.151 158 H CA 0.043 56.244 56.048 0.255 0.000 1.300 158 H CB 1.263 31.177 29.762 0.254 0.000 1.494 158 H HN 1.142 nan 8.280 nan 0.000 0.542 159 G N 1.724 110.739 108.800 0.358 0.000 2.317 159 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.196 159 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.196 159 G C -0.440 174.603 174.900 0.239 0.000 1.255 159 G CA -0.194 45.071 45.100 0.274 0.000 1.243 159 G HN 0.569 nan 8.290 nan 0.000 0.535 160 D N 1.389 121.893 120.400 0.174 0.000 2.342 160 D HA 0.244 4.884 4.640 -0.000 0.000 0.221 160 D C 1.929 178.281 176.300 0.086 0.000 1.101 160 D CA 0.858 54.952 54.000 0.156 0.000 0.837 160 D CB 0.054 40.938 40.800 0.139 0.000 0.938 160 D HN 0.671 nan 8.370 nan 0.000 0.508 161 G N 0.136 108.905 108.800 -0.051 0.000 2.848 161 G HA2 -0.045 3.915 3.960 -0.000 0.000 0.208 161 G HA3 -0.045 3.915 3.960 -0.000 0.000 0.208 161 G C 0.286 175.029 174.900 -0.262 0.000 1.152 161 G CA -0.244 44.759 45.100 -0.162 0.000 0.789 161 G HN 0.045 nan 8.290 nan 0.000 0.531 162 F N 0.034 120.017 119.950 0.054 0.000 2.399 162 F HA 0.599 5.126 4.527 -0.000 0.000 0.342 162 F C 0.225 176.060 175.800 0.059 0.000 1.106 162 F CA -1.095 56.930 58.000 0.041 0.000 1.196 162 F CB 1.375 40.383 39.000 0.013 0.000 1.163 162 F HN -0.082 nan 8.300 nan 0.000 0.547 163 I N 2.281 122.999 120.570 0.247 0.000 2.775 163 I HA 0.253 4.423 4.170 -0.000 0.000 0.295 163 I C -1.293 174.857 176.117 0.055 0.000 1.287 163 I CA -0.516 60.884 61.300 0.168 0.000 1.029 163 I CB 1.520 39.647 38.000 0.211 0.000 1.282 163 I HN 0.541 nan 8.210 nan 0.000 0.426 164 H N 6.551 125.562 119.070 -0.098 0.000 2.610 164 H HA 0.317 4.873 4.556 -0.000 0.000 0.336 164 H C 1.033 176.014 175.328 -0.578 0.000 1.087 164 H CA 0.381 56.299 56.048 -0.216 0.000 1.405 164 H CB 1.671 31.351 29.762 -0.137 0.000 1.460 164 H HN 0.847 nan 8.280 nan 0.000 0.538 165 I N 3.281 123.285 120.570 -0.943 0.000 2.700 165 I HA -0.226 3.944 4.170 -0.000 0.000 0.261 165 I C 0.697 176.455 176.117 -0.598 0.000 1.219 165 I CA 1.045 61.720 61.300 -1.042 0.000 1.463 165 I CB 0.062 37.745 38.000 -0.529 0.000 1.092 165 I HN 0.550 nan 8.210 nan 0.000 0.452 166 D N 0.794 121.135 120.400 -0.099 0.000 2.363 166 D HA -0.040 4.600 4.640 -0.000 0.000 0.226 166 D C 1.660 177.949 176.300 -0.019 0.000 1.020 166 D CA 0.432 54.445 54.000 0.021 0.000 0.892 166 D CB -0.029 40.843 40.800 0.120 0.000 0.900 166 D HN 0.346 nan 8.370 nan 0.000 0.531 167 R N -0.158 120.267 120.500 -0.125 0.000 2.310 167 R HA 0.138 4.478 4.340 -0.000 0.000 0.202 167 R C 0.245 176.728 176.300 0.306 0.000 0.933 167 R CA 0.003 56.130 56.100 0.046 0.000 1.054 167 R CB 0.164 30.501 30.300 0.062 0.000 0.985 167 R HN 0.213 nan 8.270 nan 0.000 0.489 168 F N -0.823 119.157 119.950 0.049 0.000 2.421 168 F HA 0.313 4.840 4.527 -0.000 0.000 0.337 168 F C 1.299 177.119 175.800 0.033 0.000 1.105 168 F CA -1.011 57.010 58.000 0.035 0.000 1.049 168 F CB 1.576 40.594 39.000 0.029 0.000 1.139 168 F HN -0.094 nan 8.300 nan 0.000 0.479 169 A N 2.779 125.724 122.820 0.208 0.000 1.984 169 A HA 0.541 4.861 4.320 -0.000 0.000 0.214 169 A C 0.708 178.354 177.584 0.104 0.000 1.173 169 A CA 0.834 52.943 52.037 0.120 0.000 0.673 169 A CB 0.005 19.050 19.000 0.074 0.000 0.830 169 A HN 0.726 nan 8.150 nan 0.000 0.453 170 A N -1.641 121.243 122.820 0.107 0.000 2.587 170 A HA 0.665 4.985 4.320 -0.000 0.000 0.293 170 A C -1.403 176.243 177.584 0.103 0.000 1.087 170 A CA -0.416 51.672 52.037 0.085 0.000 0.692 170 A CB 1.466 20.489 19.000 0.038 0.000 1.291 170 A HN 0.579 nan 8.150 nan 0.000 0.407 171 V N 1.151 121.136 119.914 0.119 0.000 2.817 171 V HA 0.494 4.614 4.120 -0.000 0.000 0.303 171 V C -1.896 174.304 176.094 0.177 0.000 1.151 171 V CA -0.356 62.026 62.300 0.136 0.000 0.929 171 V CB 1.960 33.887 31.823 0.174 0.000 1.030 171 V HN 0.995 nan 8.190 nan 0.000 0.427 172 Y N 3.823 124.158 120.300 0.059 0.000 2.361 172 Y HA 0.664 5.214 4.550 -0.000 0.000 0.337 172 Y C -0.409 175.570 175.900 0.132 0.000 0.965 172 Y CA -0.746 57.396 58.100 0.070 0.000 1.091 172 Y CB 1.823 40.309 38.460 0.042 0.000 1.182 172 Y HN 0.734 nan 8.280 nan 0.000 0.450 173 E N 5.755 125.581 120.200 -0.623 0.000 2.171 173 E HA 0.495 4.845 4.350 -0.000 0.000 0.271 173 E C -1.630 174.585 176.600 -0.641 0.000 0.916 173 E CA -0.612 55.496 56.400 -0.486 0.000 0.774 173 E CB 1.235 30.799 29.700 -0.227 0.000 1.128 173 E HN 0.782 nan 8.360 nan 0.000 0.403 174 Q N 1.902 121.512 119.800 -0.316 0.000 2.541 174 Q HA 0.286 4.626 4.340 -0.000 0.000 0.259 174 Q C -1.692 174.325 176.000 0.028 0.000 0.974 174 Q CA -0.790 54.926 55.803 -0.145 0.000 0.955 174 Q CB 1.219 29.872 28.738 -0.141 0.000 1.517 174 Q HN 0.324 nan 8.270 nan 0.000 0.412 175 S N 1.304 117.007 115.700 0.005 0.000 2.505 175 S HA 0.755 5.225 4.470 -0.000 0.000 0.276 175 S C -0.626 174.009 174.600 0.059 0.000 1.274 175 S CA 0.299 58.511 58.200 0.019 0.000 1.053 175 S CB 0.835 64.036 63.200 0.002 0.000 0.919 175 S HN 0.696 nan 8.310 nan 0.000 0.490 176 A N 2.669 125.537 122.820 0.079 0.000 2.532 176 A HA 0.808 5.128 4.320 -0.000 0.000 0.290 176 A C -0.108 177.509 177.584 0.055 0.000 1.143 176 A CA -0.882 51.204 52.037 0.082 0.000 0.728 176 A CB 1.103 20.181 19.000 0.131 0.000 1.317 176 A HN 0.799 nan 8.150 nan 0.000 0.414 177 S N 0.224 115.953 115.700 0.049 0.000 2.565 177 S HA 0.647 5.117 4.470 -0.000 0.000 0.274 177 S C -0.327 174.298 174.600 0.042 0.000 1.309 177 S CA -0.443 57.786 58.200 0.048 0.000 1.043 177 S CB 0.277 63.508 63.200 0.052 0.000 0.939 177 S HN 0.586 nan 8.310 nan 0.000 0.504 178 L N 3.235 124.482 121.223 0.040 0.000 2.307 178 L HA 0.443 4.783 4.340 -0.000 0.000 0.282 178 L C -1.904 175.038 176.870 0.120 0.000 1.051 178 L CA -2.386 52.456 54.840 0.003 0.000 0.804 178 L CB 1.121 43.068 42.059 -0.187 0.000 1.197 178 L HN 0.561 nan 8.230 nan 0.000 0.431 179 P HA -0.010 nan 4.420 nan 0.000 0.260 179 P C 0.851 178.333 177.300 0.303 0.000 1.207 179 P CA 0.094 63.311 63.100 0.196 0.000 0.780 179 P CB 0.371 32.182 31.700 0.185 0.000 0.789 180 I N 0.261 120.981 120.570 0.251 0.000 2.546 180 I HA -0.078 4.092 4.170 -0.000 0.000 0.255 180 I C 0.686 176.943 176.117 0.234 0.000 1.163 180 I CA 0.241 61.663 61.300 0.203 0.000 1.457 180 I CB -1.213 36.827 38.000 0.067 0.000 1.092 180 I HN 0.353 nan 8.210 nan 0.000 0.434 181 H N 1.686 120.856 119.070 0.167 0.000 2.939 181 H HA -0.220 4.336 4.556 -0.000 0.000 0.292 181 H C 0.089 175.500 175.328 0.138 0.000 0.839 181 H CA 0.513 56.737 56.048 0.293 0.000 0.924 181 H CB -0.799 29.153 29.762 0.316 0.000 1.553 181 H HN 0.424 nan 8.280 nan 0.000 0.312 182 S N 4.282 119.783 115.700 -0.331 0.000 2.902 182 S HA 0.193 4.662 4.470 -0.000 0.000 0.250 182 S C 0.880 175.272 174.600 -0.347 0.000 1.046 182 S CA -0.252 57.781 58.200 -0.278 0.000 1.069 182 S CB -0.231 62.847 63.200 -0.204 0.000 0.967 182 S HN 0.470 nan 8.310 nan 0.000 0.530 183 F N 1.939 121.638 119.950 -0.418 0.000 2.408 183 F HA 0.246 4.772 4.527 -0.000 0.000 0.300 183 F C 1.766 177.483 175.800 -0.138 0.000 1.090 183 F CA 0.533 58.389 58.000 -0.240 0.000 1.427 183 F CB -0.579 38.285 39.000 -0.226 0.000 1.070 183 F HN 0.373 nan 8.300 nan 0.000 0.549 184 A N -0.207 122.623 122.820 0.017 0.000 2.409 184 A HA 0.414 4.734 4.320 -0.000 0.000 0.246 184 A C 0.554 178.146 177.584 0.013 0.000 1.099 184 A CA 0.796 52.857 52.037 0.040 0.000 0.789 184 A CB 0.019 19.043 19.000 0.040 0.000 1.053 184 A HN 0.189 nan 8.150 nan 0.000 0.503 185 T N -0.899 113.666 114.554 0.019 0.000 3.709 185 T HA 0.488 4.838 4.350 -0.000 0.000 0.378 185 T C 0.030 174.735 174.700 0.008 0.000 1.352 185 T CA 0.128 62.231 62.100 0.006 0.000 1.144 185 T CB -0.044 68.829 68.868 0.008 0.000 1.289 185 T HN 1.891 nan 8.240 nan 0.000 0.476 186 G N 2.649 111.448 108.800 -0.001 0.000 2.562 186 G HA2 0.456 4.416 3.960 -0.000 0.000 0.233 186 G HA3 0.456 4.416 3.960 -0.000 0.000 0.233 186 G C -0.475 174.425 174.900 -0.000 0.000 1.266 186 G CA 0.389 45.487 45.100 -0.003 0.000 0.852 186 G HN 0.914 nan 8.290 nan 0.000 0.581 187 D N -1.232 119.166 120.400 -0.003 0.000 2.622 187 D HA 0.508 5.148 4.640 -0.000 0.000 0.255 187 D C 0.872 177.165 176.300 -0.011 0.000 1.246 187 D CA 0.160 54.159 54.000 -0.002 0.000 0.795 187 D CB 0.987 41.790 40.800 0.006 0.000 1.369 187 D HN 0.438 nan 8.370 nan 0.000 0.425 188 A N 0.507 123.321 122.820 -0.010 0.000 1.898 188 A HA -0.030 4.290 4.320 -0.000 0.000 0.216 188 A C 1.964 179.526 177.584 -0.037 0.000 1.181 188 A CA 1.838 53.862 52.037 -0.021 0.000 0.620 188 A CB -0.651 18.342 19.000 -0.012 0.000 0.819 188 A HN 0.384 nan 8.150 nan 0.000 0.442 189 V N -0.094 119.804 119.914 -0.028 0.000 2.307 189 V HA -0.200 3.920 4.120 -0.000 0.000 0.245 189 V C 2.765 178.838 176.094 -0.035 0.000 1.045 189 V CA 2.212 64.486 62.300 -0.042 0.000 1.024 189 V CB -0.929 30.886 31.823 -0.014 0.000 0.651 189 V HN 0.548 nan 8.190 nan 0.000 0.449 190 S N 0.254 115.943 115.700 -0.019 0.000 2.365 190 S HA -0.175 4.295 4.470 -0.000 0.000 0.225 190 S C 1.983 176.564 174.600 -0.032 0.000 1.039 190 S CA 1.385 59.576 58.200 -0.015 0.000 1.033 190 S CB -0.437 62.760 63.200 -0.005 0.000 0.887 190 S HN 0.319 nan 8.310 nan 0.000 0.447 191 L N 1.464 122.662 121.223 -0.041 0.000 2.012 191 L HA -0.141 4.198 4.340 -0.000 0.000 0.210 191 L C 2.736 179.549 176.870 -0.094 0.000 1.073 191 L CA 2.131 56.935 54.840 -0.059 0.000 0.748 191 L CB -1.805 40.221 42.059 -0.056 0.000 0.891 191 L HN 0.346 nan 8.230 nan 0.000 0.431 192 A N 0.071 122.828 122.820 -0.105 0.000 1.865 192 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 192 A C 2.235 179.730 177.584 -0.149 0.000 1.191 192 A CA 1.983 53.920 52.037 -0.166 0.000 0.623 192 A CB -0.706 18.215 19.000 -0.131 0.000 0.826 192 A HN 0.430 nan 8.150 nan 0.000 0.444 193 I N -0.245 120.312 120.570 -0.021 0.000 2.286 193 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 193 I C 2.667 178.784 176.117 0.001 0.000 1.115 193 I CA 1.044 62.377 61.300 0.056 0.000 1.392 193 I CB -0.674 37.347 38.000 0.034 0.000 1.065 193 I HN 0.407 nan 8.210 nan 0.000 0.418 194 G N 0.280 109.054 108.800 -0.044 0.000 2.418 194 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 194 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 194 G C 1.568 176.423 174.900 -0.075 0.000 1.158 194 G CA 0.493 45.561 45.100 -0.052 0.000 0.771 194 G HN 0.426 nan 8.290 nan 0.000 0.545 195 Q N -0.525 119.194 119.800 -0.135 0.000 2.050 195 Q HA -0.103 4.237 4.340 -0.000 0.000 0.202 195 Q C 2.416 178.327 176.000 -0.149 0.000 0.980 195 Q CA 1.214 56.914 55.803 -0.171 0.000 0.840 195 Q CB -0.282 28.295 28.738 -0.269 0.000 0.898 195 Q HN 0.524 nan 8.270 nan 0.000 0.424 196 H N 0.025 119.066 119.070 -0.049 0.000 2.319 196 H HA -0.100 4.456 4.556 -0.000 0.000 0.299 196 H C 2.342 177.617 175.328 -0.089 0.000 1.092 196 H CA 1.549 57.562 56.048 -0.058 0.000 1.302 196 H CB -0.381 29.350 29.762 -0.051 0.000 1.373 196 H HN 0.080 nan 8.280 nan 0.000 0.497 197 V N 1.350 121.283 119.914 0.031 0.000 2.343 197 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 197 V C 2.877 178.924 176.094 -0.080 0.000 1.051 197 V CA 1.492 63.756 62.300 -0.060 0.000 1.036 197 V CB -1.202 30.586 31.823 -0.058 0.000 0.654 197 V HN 0.461 nan 8.190 nan 0.000 0.451 198 A N -0.338 122.448 122.820 -0.057 0.000 1.948 198 A HA -0.297 4.023 4.320 -0.000 0.000 0.220 198 A C 2.172 179.760 177.584 0.007 0.000 1.177 198 A CA 2.107 54.117 52.037 -0.045 0.000 0.636 198 A CB -0.533 18.456 19.000 -0.019 0.000 0.815 198 A HN 0.644 nan 8.150 nan 0.000 0.449 199 E N -0.718 119.481 120.200 -0.003 0.000 2.338 199 E HA -0.070 4.280 4.350 -0.000 0.000 0.197 199 E C 1.303 177.889 176.600 -0.024 0.000 1.007 199 E CA 0.309 56.715 56.400 0.009 0.000 0.849 199 E CB -0.040 29.666 29.700 0.009 0.000 0.774 199 E HN 0.428 nan 8.360 nan 0.000 0.506 200 L N 0.425 121.590 121.223 -0.096 0.000 2.446 200 L HA 0.055 4.395 4.340 -0.000 0.000 0.219 200 L C 0.683 177.505 176.870 -0.080 0.000 1.116 200 L CA 0.567 55.308 54.840 -0.165 0.000 0.844 200 L CB -0.126 41.703 42.059 -0.383 0.000 0.970 200 L HN -0.101 nan 8.230 nan 0.000 0.457 201 V N 2.063 121.950 119.914 -0.045 0.000 2.439 201 V HA 0.131 4.251 4.120 -0.000 0.000 0.271 201 V C 0.813 176.982 176.094 0.126 0.000 1.040 201 V CA -0.306 61.974 62.300 -0.033 0.000 1.002 201 V CB 0.593 32.290 31.823 -0.210 0.000 1.000 201 V HN 0.267 nan 8.190 nan 0.000 0.477 202 R N 2.653 123.212 120.500 0.100 0.000 2.573 202 R HA 0.375 4.715 4.340 -0.000 0.000 0.272 202 R C -0.570 175.837 176.300 0.178 0.000 1.009 202 R CA -1.021 55.163 56.100 0.139 0.000 1.059 202 R CB 1.002 31.346 30.300 0.074 0.000 1.112 202 R HN 0.612 nan 8.270 nan 0.000 0.517 203 D N 0.121 120.616 120.400 0.158 0.000 2.400 203 D HA 0.056 4.696 4.640 -0.000 0.000 0.238 203 D C 1.253 177.598 176.300 0.076 0.000 1.157 203 D CA 1.422 55.498 54.000 0.128 0.000 0.889 203 D CB 0.782 41.615 40.800 0.056 0.000 1.199 203 D HN 0.790 nan 8.370 nan 0.000 0.436 204 G N 1.533 110.370 108.800 0.061 0.000 2.189 204 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.267 204 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.267 204 G C 0.096 175.018 174.900 0.037 0.000 0.975 204 G CA 0.214 45.339 45.100 0.042 0.000 0.644 204 G HN 0.515 nan 8.290 nan 0.000 0.537 205 D N -0.480 119.941 120.400 0.035 0.000 2.399 205 D HA 0.372 5.012 4.640 -0.000 0.000 0.241 205 D C 0.624 176.932 176.300 0.013 0.000 1.133 205 D CA -0.078 53.935 54.000 0.022 0.000 0.890 205 D CB 1.176 41.978 40.800 0.004 0.000 1.201 205 D HN 0.256 nan 8.370 nan 0.000 0.432 206 C N 5.102 124.416 119.300 0.024 0.000 2.135 206 C HA 0.360 4.820 4.460 -0.000 0.000 0.345 206 C C 0.149 175.151 174.990 0.020 0.000 1.067 206 C CA -0.803 58.236 59.018 0.034 0.000 1.517 206 C CB -2.007 25.768 27.740 0.058 0.000 1.923 206 C HN 0.409 nan 8.230 nan 0.000 0.466 207 L N 5.344 126.557 121.223 -0.016 0.000 2.483 207 L HA 0.333 4.673 4.340 -0.000 0.000 0.275 207 L C 0.469 177.292 176.870 -0.078 0.000 1.220 207 L CA 0.609 55.416 54.840 -0.054 0.000 0.833 207 L CB 0.240 42.249 42.059 -0.083 0.000 1.102 207 L HN 0.664 nan 8.230 nan 0.000 0.490 211 I N -1.268 119.324 120.570 0.037 0.000 2.577 211 I HA 0.914 5.084 4.170 -0.000 0.000 0.305 211 I C 0.618 176.798 176.117 0.106 0.000 0.986 211 I CA -0.369 60.978 61.300 0.080 0.000 1.189 211 I CB 1.505 39.572 38.000 0.113 0.000 1.355 211 I HN 1.672 nan 8.210 nan 0.000 0.476 212 G N 2.453 111.320 108.800 0.111 0.000 0.000 212 G HA2 0.273 4.233 3.960 -0.000 0.000 0.000 212 G HA3 0.273 4.233 3.960 -0.000 0.000 0.000 212 G C -0.001 174.935 174.900 0.060 0.000 0.000 212 G CA -0.216 44.943 45.100 0.099 0.000 0.000 212 G HN 0.977 nan 8.290 nan 0.000 0.000 213 A N -0.543 122.307 122.820 0.050 0.000 1.877 213 A HA 0.156 4.476 4.320 -0.000 0.000 0.216 213 A C 2.495 180.089 177.584 0.016 0.000 1.186 213 A CA 2.210 54.263 52.037 0.028 0.000 0.620 213 A CB -0.575 18.440 19.000 0.026 0.000 0.822 213 A HN 0.875 nan 8.150 nan 0.000 0.443 214 I N -0.028 120.554 120.570 0.019 0.000 2.099 214 I HA -0.197 3.973 4.170 -0.000 0.000 0.239 214 I C -0.465 175.651 176.117 -0.001 0.000 1.066 214 I CA 1.711 63.016 61.300 0.008 0.000 1.324 214 I CB -1.354 36.655 38.000 0.015 0.000 1.037 214 I HN 0.195 nan 8.210 nan 0.000 0.401 215 P HA -0.176 nan 4.420 nan 0.000 0.215 215 P C 1.034 178.327 177.300 -0.011 0.000 1.157 215 P CA 1.623 64.720 63.100 -0.006 0.000 0.874 215 P CB -0.073 31.631 31.700 0.006 0.000 0.790 216 D N -0.710 119.691 120.400 0.001 0.000 2.104 216 D HA -0.150 4.490 4.640 -0.000 0.000 0.194 216 D C 2.016 178.306 176.300 -0.018 0.000 0.994 216 D CA 1.707 55.704 54.000 -0.005 0.000 0.830 216 D CB -0.787 40.014 40.800 0.003 0.000 0.959 216 D HN 0.061 nan 8.370 nan 0.000 0.452 217 A N 0.849 123.658 122.820 -0.018 0.000 1.940 217 A HA -0.157 4.163 4.320 -0.000 0.000 0.219 217 A C 2.585 180.147 177.584 -0.037 0.000 1.176 217 A CA 1.351 53.371 52.037 -0.028 0.000 0.631 217 A CB -0.730 18.253 19.000 -0.028 0.000 0.814 217 A HN 0.158 nan 8.150 nan 0.000 0.446 218 V N -0.054 119.836 119.914 -0.040 0.000 2.307 218 V HA -0.244 3.876 4.120 -0.000 0.000 0.245 218 V C 2.540 178.595 176.094 -0.066 0.000 1.045 218 V CA 1.909 64.176 62.300 -0.055 0.000 1.024 218 V CB -0.785 31.002 31.823 -0.059 0.000 0.651 218 V HN 0.573 nan 8.190 nan 0.000 0.449 219 L N 0.975 122.164 121.223 -0.056 0.000 2.083 219 L HA -0.159 4.181 4.340 -0.000 0.000 0.209 219 L C 2.654 179.495 176.870 -0.048 0.000 1.083 219 L CA 1.811 56.615 54.840 -0.059 0.000 0.752 219 L CB -0.718 41.315 42.059 -0.044 0.000 0.899 219 L HN 0.546 nan 8.230 nan 0.000 0.433 220 S N -1.727 113.951 115.700 -0.037 0.000 2.474 220 S HA -0.140 4.330 4.470 -0.000 0.000 0.235 220 S C 1.615 176.202 174.600 -0.021 0.000 0.997 220 S CA 0.800 58.983 58.200 -0.028 0.000 0.949 220 S CB -0.774 62.410 63.200 -0.026 0.000 0.766 220 S HN 0.462 nan 8.310 nan 0.000 0.517 221 C N 0.771 120.056 119.300 -0.026 0.000 2.754 221 C HA 0.492 4.952 4.460 -0.000 0.000 0.276 221 C C 1.299 176.309 174.990 0.033 0.000 1.264 221 C CA -0.387 58.628 59.018 -0.005 0.000 1.700 221 C CB -1.393 26.336 27.740 -0.019 0.000 1.885 221 C HN 0.435 nan 8.230 nan 0.000 0.607 222 L N 1.108 122.327 121.223 -0.006 0.000 2.693 222 L HA 0.085 4.425 4.340 -0.000 0.000 0.235 222 L C 2.464 179.398 176.870 0.106 0.000 1.127 222 L CA 1.034 55.872 54.840 -0.004 0.000 0.914 222 L CB -0.606 41.331 42.059 -0.203 0.000 1.193 222 L HN 0.393 nan 8.230 nan 0.000 0.502 223 T N -4.448 110.142 114.554 0.060 0.000 3.139 223 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 223 T C 1.597 176.330 174.700 0.054 0.000 1.164 223 T CA 1.028 63.151 62.100 0.038 0.000 1.075 223 T CB -0.284 68.590 68.868 0.010 0.000 0.904 223 T HN 0.326 nan 8.240 nan 0.000 0.540 224 G N -0.706 108.157 108.800 0.106 0.000 2.939 224 G HA2 0.264 4.223 3.960 -0.000 0.000 0.216 224 G HA3 0.264 4.223 3.960 -0.000 0.000 0.216 224 G C 0.187 175.088 174.900 0.001 0.000 1.125 224 G CA -0.464 44.655 45.100 0.031 0.000 0.766 224 G HN 0.517 nan 8.290 nan 0.000 0.541 225 H N 0.585 119.641 119.070 -0.023 0.000 2.408 225 H HA 0.595 5.151 4.556 -0.000 0.000 0.352 225 H C 0.319 175.636 175.328 -0.019 0.000 1.607 225 H CA 0.132 56.168 56.048 -0.020 0.000 1.445 225 H CB 0.628 30.376 29.762 -0.023 0.000 1.664 225 H HN 0.273 nan 8.280 nan 0.000 0.605 226 K N -0.831 119.644 120.400 0.126 0.000 2.575 226 K HA 0.281 4.601 4.320 -0.000 0.000 0.279 226 K C -1.372 175.257 176.600 0.049 0.000 0.969 226 K CA -0.912 55.410 56.287 0.059 0.000 0.868 226 K CB 1.836 34.351 32.500 0.026 0.000 1.457 226 K HN 0.465 nan 8.250 nan 0.000 0.426 227 D N 0.114 120.531 120.400 0.030 0.000 2.870 227 D HA -0.152 4.488 4.640 -0.000 0.000 0.228 227 D C -0.531 175.784 176.300 0.024 0.000 1.147 227 D CA 0.772 54.786 54.000 0.024 0.000 0.757 227 D CB -0.929 39.886 40.800 0.025 0.000 1.091 227 D HN 0.290 nan 8.370 nan 0.000 0.429 228 L N 0.446 121.679 121.223 0.018 0.000 2.417 228 L HA 0.530 4.870 4.340 -0.000 0.000 0.268 228 L C 1.624 178.491 176.870 -0.004 0.000 1.158 228 L CA 0.495 55.336 54.840 0.003 0.000 0.819 228 L CB 1.041 43.086 42.059 -0.022 0.000 1.112 228 L HN 0.104 nan 8.230 nan 0.000 0.458 229 G N 1.656 110.456 108.800 0.001 0.000 2.597 229 G HA2 0.665 4.625 3.960 -0.000 0.000 0.317 229 G HA3 0.665 4.625 3.960 -0.000 0.000 0.317 229 G C -1.613 173.282 174.900 -0.007 0.000 1.230 229 G CA -0.444 44.663 45.100 0.011 0.000 0.996 229 G HN 0.378 nan 8.290 nan 0.000 0.490 230 V N 0.310 120.223 119.914 -0.001 0.000 2.612 230 V HA 0.436 4.556 4.120 -0.000 0.000 0.301 230 V C -1.298 174.811 176.094 0.026 0.000 1.059 230 V CA -0.614 61.661 62.300 -0.041 0.000 0.886 230 V CB 1.682 33.408 31.823 -0.162 0.000 1.007 230 V HN 0.970 nan 8.190 nan 0.000 0.426 231 H N 2.314 121.363 119.070 -0.035 0.000 2.852 231 H HA 0.611 5.167 4.556 -0.000 0.000 0.274 231 H C -0.576 174.751 175.328 -0.001 0.000 1.321 231 H CA 0.233 56.297 56.048 0.028 0.000 1.582 231 H CB 1.225 31.049 29.762 0.103 0.000 1.699 231 H HN 0.702 nan 8.280 nan 0.000 0.546 232 T N 1.259 115.697 114.554 -0.194 0.000 2.887 232 T HA 0.159 4.509 4.350 -0.000 0.000 0.292 232 T C 0.974 175.530 174.700 -0.241 0.000 1.087 232 T CA -0.528 61.395 62.100 -0.295 0.000 1.009 232 T CB 1.961 70.663 68.868 -0.277 0.000 1.203 232 T HN 0.715 nan 8.240 nan 0.000 0.518 233 E N 0.086 120.100 120.200 -0.310 0.000 2.150 233 E HA 0.147 4.497 4.350 -0.000 0.000 0.193 233 E C 0.656 176.799 176.600 -0.763 0.000 0.985 233 E CA 0.864 57.096 56.400 -0.281 0.000 0.814 233 E CB 0.045 29.635 29.700 -0.184 0.000 0.752 233 E HN 0.518 nan 8.360 nan 0.000 0.466 234 L N -3.518 117.379 121.223 -0.542 0.000 2.940 234 L HA 0.514 4.854 4.340 -0.000 0.000 0.270 234 L C -1.448 175.344 176.870 -0.130 0.000 1.030 234 L CA -1.356 53.167 54.840 -0.529 0.000 0.928 234 L CB 1.275 42.941 42.059 -0.656 0.000 1.506 234 L HN -0.061 nan 8.230 nan 0.000 0.405 235 F N -0.853 118.985 119.950 -0.187 0.000 2.662 235 F HA 0.918 5.445 4.527 0.000 0.000 0.312 235 F C -0.544 175.247 175.800 -0.015 0.000 1.113 235 F CA -0.345 57.593 58.000 -0.104 0.000 0.951 235 F CB 1.425 40.357 39.000 -0.113 0.000 1.344 235 F HN 0.794 nan 8.300 nan 0.000 0.462 236 S N -0.493 115.303 115.700 0.159 0.000 2.971 236 S HA 0.308 4.778 4.470 -0.000 0.000 0.320 236 S C 0.304 174.997 174.600 0.155 0.000 1.111 236 S CA -0.287 57.948 58.200 0.058 0.000 0.870 236 S CB 1.009 64.239 63.200 0.050 0.000 1.331 236 S HN 0.795 nan 8.310 nan 0.000 0.635 237 D N 0.728 121.163 120.400 0.058 0.000 2.190 237 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 237 D C 1.762 178.081 176.300 0.032 0.000 0.992 237 D CA 1.440 55.460 54.000 0.033 0.000 0.854 237 D CB -0.636 40.156 40.800 -0.012 0.000 0.936 237 D HN 0.659 nan 8.370 nan 0.000 0.462 238 G N 1.665 110.489 108.800 0.040 0.000 2.476 238 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.218 238 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.218 238 G C 1.633 176.534 174.900 0.003 0.000 1.164 238 G CA 0.400 45.509 45.100 0.015 0.000 0.768 238 G HN 0.180 nan 8.290 nan 0.000 0.560 239 I N 0.570 121.164 120.570 0.040 0.000 2.202 239 I HA -0.054 4.116 4.170 -0.000 0.000 0.242 239 I C 2.652 178.722 176.117 -0.079 0.000 1.091 239 I CA 0.573 61.858 61.300 -0.025 0.000 1.368 239 I CB -1.361 36.615 38.000 -0.041 0.000 1.058 239 I HN 0.156 nan 8.210 nan 0.000 0.410 240 L N 1.287 122.485 121.223 -0.042 0.000 2.051 240 L HA -0.266 4.074 4.340 -0.000 0.000 0.214 240 L C 2.553 179.309 176.870 -0.190 0.000 1.076 240 L CA 1.951 56.679 54.840 -0.187 0.000 0.758 240 L CB -0.784 41.203 42.059 -0.120 0.000 0.890 240 L HN 0.300 nan 8.230 nan 0.000 0.433 241 Q N -1.348 118.388 119.800 -0.107 0.000 2.124 241 Q HA -0.186 4.154 4.340 -0.000 0.000 0.202 241 Q C 2.093 178.041 176.000 -0.086 0.000 0.977 241 Q CA 1.394 57.144 55.803 -0.089 0.000 0.850 241 Q CB -0.191 28.513 28.738 -0.057 0.000 0.901 241 Q HN 0.408 nan 8.270 nan 0.000 0.429 242 L N -0.514 120.659 121.223 -0.084 0.000 2.313 242 L HA -0.095 4.245 4.340 -0.000 0.000 0.214 242 L C 2.030 178.852 176.870 -0.081 0.000 1.119 242 L CA 0.959 55.757 54.840 -0.071 0.000 0.809 242 L CB -0.304 41.714 42.059 -0.068 0.000 0.933 242 L HN 0.029 nan 8.230 nan 0.000 0.449 243 V N 0.230 120.071 119.914 -0.122 0.000 2.323 243 V HA -0.221 3.899 4.120 -0.000 0.000 0.244 243 V C 2.336 178.369 176.094 -0.102 0.000 1.041 243 V CA 1.681 63.908 62.300 -0.123 0.000 1.025 243 V CB -0.650 31.051 31.823 -0.203 0.000 0.656 243 V HN 0.625 nan 8.190 nan 0.000 0.451 244 E N 0.147 120.270 120.200 -0.129 0.000 2.409 244 E HA -0.226 4.124 4.350 -0.000 0.000 0.198 244 E C 1.658 178.227 176.600 -0.053 0.000 1.024 244 E CA 0.788 57.135 56.400 -0.089 0.000 0.861 244 E CB -0.151 29.488 29.700 -0.101 0.000 0.788 244 E HN 0.335 nan 8.360 nan 0.000 0.521 245 K N -0.076 120.293 120.400 -0.051 0.000 2.393 245 K HA 0.130 4.450 4.320 -0.000 0.000 0.193 245 K C 1.167 177.754 176.600 -0.022 0.000 1.026 245 K CA 0.736 57.003 56.287 -0.032 0.000 1.064 245 K CB 0.405 32.887 32.500 -0.030 0.000 0.833 245 K HN 0.335 nan 8.250 nan 0.000 0.521 246 G N -0.308 108.477 108.800 -0.024 0.000 2.205 246 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.261 246 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.261 246 G C 1.044 175.939 174.900 -0.008 0.000 0.980 246 G CA 0.551 45.643 45.100 -0.013 0.000 0.632 246 G HN 0.124 nan 8.290 nan 0.000 0.533 247 V N 0.420 120.327 119.914 -0.011 0.000 2.490 247 V HA 0.088 4.208 4.120 -0.000 0.000 0.250 247 V C 1.658 177.749 176.094 -0.005 0.000 1.061 247 V CA 1.848 64.149 62.300 0.002 0.000 1.064 247 V CB -0.217 31.608 31.823 0.003 0.000 0.670 247 V HN 0.513 nan 8.190 nan 0.000 0.461 248 I N 1.566 122.121 120.570 -0.024 0.000 2.354 248 I HA 0.296 4.466 4.170 -0.000 0.000 0.292 248 I C 0.331 176.437 176.117 -0.017 0.000 0.989 248 I CA -0.127 61.155 61.300 -0.030 0.000 1.188 248 I CB 1.395 39.358 38.000 -0.063 0.000 1.342 248 I HN 0.371 nan 8.210 nan 0.000 0.457 249 N N 3.737 122.434 118.700 -0.005 0.000 1.986 249 N HA 0.008 4.748 4.740 -0.000 0.000 0.227 249 N C 0.029 175.547 175.510 0.013 0.000 1.387 249 N CA -0.422 52.631 53.050 0.006 0.000 0.810 249 N CB 0.096 38.589 38.487 0.009 0.000 1.140 249 N HN 0.429 nan 8.380 nan 0.000 0.504 250 N N -0.235 118.473 118.700 0.014 0.000 2.693 250 N HA -0.187 4.553 4.740 -0.000 0.000 0.249 250 N C -0.052 175.480 175.510 0.036 0.000 1.119 250 N CA 1.444 54.513 53.050 0.031 0.000 0.717 250 N CB -1.598 36.912 38.487 0.038 0.000 1.071 250 N HN 0.466 nan 8.380 nan 0.000 0.555 251 T N -0.094 114.476 114.554 0.027 0.000 2.951 251 T HA -0.038 4.312 4.350 -0.000 0.000 0.268 251 T C 1.643 176.360 174.700 0.029 0.000 1.073 251 T CA 0.779 62.893 62.100 0.025 0.000 1.134 251 T CB 0.164 69.043 68.868 0.019 0.000 0.884 251 T HN 0.173 nan 8.240 nan 0.000 0.479 252 K N 1.284 121.705 120.400 0.034 0.000 2.417 252 K HA 0.232 4.552 4.320 -0.000 0.000 0.196 252 K C 0.524 177.153 176.600 0.048 0.000 1.023 252 K CA 0.103 56.412 56.287 0.037 0.000 1.122 252 K CB 0.273 32.793 32.500 0.034 0.000 0.850 252 K HN 0.367 nan 8.250 nan 0.000 0.521 253 K N 0.681 121.118 120.400 0.063 0.000 2.126 253 K HA 0.256 4.576 4.320 -0.000 0.000 0.257 253 K C 1.075 177.729 176.600 0.091 0.000 1.007 253 K CA -0.293 56.048 56.287 0.091 0.000 0.928 253 K CB 1.128 33.706 32.500 0.131 0.000 1.013 253 K HN -0.090 nan 8.250 nan 0.000 0.473 254 R N 0.428 120.999 120.500 0.118 0.000 2.316 254 R HA 0.094 4.434 4.340 -0.000 0.000 0.201 254 R C 0.003 176.406 176.300 0.171 0.000 0.888 254 R CA 0.019 56.185 56.100 0.110 0.000 1.041 254 R CB 0.360 30.715 30.300 0.092 0.000 1.115 254 R HN 0.426 nan 8.270 nan 0.000 0.559 255 F N 1.283 121.281 119.950 0.080 0.000 2.332 255 F HA 0.212 4.739 4.527 -0.000 0.000 0.368 255 F C -0.807 175.182 175.800 0.314 0.000 1.110 255 F CA -0.861 57.239 58.000 0.166 0.000 1.087 255 F CB 0.319 39.392 39.000 0.120 0.000 1.235 255 F HN 0.073 nan 8.300 nan 0.000 0.470 256 Y N 4.347 124.444 120.300 -0.338 0.000 3.038 256 Y HA -0.179 4.371 4.550 -0.000 0.000 0.176 256 Y C -2.173 173.702 175.900 -0.042 0.000 1.628 256 Y CA -0.259 57.704 58.100 -0.228 0.000 1.020 256 Y CB -1.845 36.466 38.460 -0.247 0.000 1.423 256 Y HN 0.424 nan 8.280 nan 0.000 0.418 257 P HA 0.309 nan 4.420 nan 0.000 0.272 257 P C 1.163 178.488 177.300 0.041 0.000 1.223 257 P CA 1.295 64.428 63.100 0.055 0.000 0.784 257 P CB 1.507 33.222 31.700 0.024 0.000 0.923 258 G N 1.329 110.155 108.800 0.043 0.000 2.234 258 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.260 258 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.260 258 G C 0.018 174.942 174.900 0.041 0.000 0.987 258 G CA 0.276 45.396 45.100 0.032 0.000 0.625 258 G HN 0.629 nan 8.290 nan 0.000 0.532 259 K N -0.104 120.336 120.400 0.067 0.000 2.328 259 K HA 0.719 5.039 4.320 -0.000 0.000 0.246 259 K C -0.051 176.572 176.600 0.038 0.000 0.955 259 K CA -0.988 55.339 56.287 0.066 0.000 0.817 259 K CB 2.119 34.696 32.500 0.127 0.000 1.208 259 K HN 0.121 nan 8.250 nan 0.000 0.432 260 L N 1.875 123.081 121.223 -0.029 0.000 2.350 260 L HA 0.420 4.760 4.340 -0.000 0.000 0.275 260 L C -0.396 176.393 176.870 -0.134 0.000 1.099 260 L CA -0.950 53.816 54.840 -0.123 0.000 0.808 260 L CB 1.117 43.018 42.059 -0.265 0.000 1.149 260 L HN 0.244 nan 8.230 nan 0.000 0.442 261 V N 1.422 121.231 119.914 -0.175 0.000 2.656 261 V HA 0.744 4.864 4.120 -0.000 0.000 0.307 261 V C -0.076 175.818 176.094 -0.332 0.000 1.051 261 V CA -0.388 61.764 62.300 -0.246 0.000 0.893 261 V CB 2.056 33.740 31.823 -0.232 0.000 0.999 261 V HN 1.000 nan 8.190 nan 0.000 0.426 262 T N 0.335 114.681 114.554 -0.347 0.000 2.739 262 T HA 0.556 4.906 4.350 -0.000 0.000 0.303 262 T C 0.631 175.164 174.700 -0.279 0.000 1.389 262 T CA 0.105 62.001 62.100 -0.340 0.000 1.001 262 T CB 1.604 70.285 68.868 -0.311 0.000 1.436 262 T HN 0.724 nan 8.240 nan 0.000 0.500 263 G N -0.441 108.193 108.800 -0.277 0.000 2.595 263 G HA2 0.509 4.469 3.960 -0.000 0.000 0.213 263 G HA3 0.509 4.469 3.960 -0.000 0.000 0.213 263 G C -0.032 175.045 174.900 0.294 0.000 1.141 263 G CA 0.058 45.163 45.100 0.008 0.000 0.806 263 G HN 0.906 nan 8.290 nan 0.000 0.530 264 F N -2.535 117.472 119.950 0.095 0.000 2.926 264 F HA 0.795 5.322 4.527 -0.000 0.000 0.321 264 F C -0.647 175.192 175.800 0.065 0.000 1.168 264 F CA -1.773 56.363 58.000 0.227 0.000 0.890 264 F CB 0.928 40.004 39.000 0.126 0.000 1.357 264 F HN 0.164 nan 8.300 nan 0.000 0.468 265 A N 0.893 123.934 122.820 0.369 0.000 2.515 265 A HA 0.928 5.248 4.320 -0.000 0.000 0.296 265 A C -2.349 175.322 177.584 0.145 0.000 1.094 265 A CA -0.895 51.132 52.037 -0.017 0.000 0.718 265 A CB 2.021 20.968 19.000 -0.089 0.000 1.307 265 A HN 1.306 nan 8.150 nan 0.000 0.408 266 L N 0.416 121.669 121.223 0.051 0.000 2.588 266 L HA 0.764 5.104 4.340 -0.000 0.000 0.263 266 L C 0.046 176.955 176.870 0.064 0.000 0.935 266 L CA 1.270 56.206 54.840 0.160 0.000 0.891 266 L CB 1.924 44.007 42.059 0.040 0.000 1.318 266 L HN 1.857 nan 8.230 nan 0.000 0.409 267 G N 1.337 110.141 108.800 0.006 0.000 2.360 267 G HA2 0.373 4.333 3.960 -0.000 0.000 0.276 267 G HA3 0.373 4.333 3.960 -0.000 0.000 0.276 267 G C -1.085 173.571 174.900 -0.407 0.000 1.256 267 G CA -0.033 44.978 45.100 -0.147 0.000 0.890 267 G HN 0.963 nan 8.290 nan 0.000 0.486 268 S N -0.697 114.798 115.700 -0.342 0.000 2.634 268 S HA 0.346 4.816 4.470 -0.000 0.000 0.261 268 S C 1.332 175.639 174.600 -0.488 0.000 1.271 268 S CA 0.923 58.939 58.200 -0.307 0.000 0.985 268 S CB 1.486 64.596 63.200 -0.150 0.000 0.968 268 S HN 0.901 nan 8.310 nan 0.000 0.568 269 Q N 0.523 120.208 119.800 -0.192 0.000 2.291 269 Q HA -0.016 4.324 4.340 -0.000 0.000 0.206 269 Q C 1.847 177.835 176.000 -0.021 0.000 0.976 269 Q CA 1.651 57.433 55.803 -0.035 0.000 0.875 269 Q CB -0.329 28.447 28.738 0.063 0.000 0.927 269 Q HN 0.728 nan 8.270 nan 0.000 0.450 270 K N -0.508 119.860 120.400 -0.053 0.000 2.097 270 K HA -0.131 4.188 4.320 -0.000 0.000 0.205 270 K C 1.854 178.482 176.600 0.046 0.000 1.050 270 K CA 1.101 57.392 56.287 0.007 0.000 0.938 270 K CB -0.210 32.282 32.500 -0.014 0.000 0.718 270 K HN 0.265 nan 8.250 nan 0.000 0.442 271 L N 0.508 121.696 121.223 -0.057 0.000 2.005 271 L HA -0.188 4.152 4.340 -0.000 0.000 0.207 271 L C 1.974 178.959 176.870 0.191 0.000 1.072 271 L CA 1.750 56.617 54.840 0.045 0.000 0.744 271 L CB -0.712 41.264 42.059 -0.139 0.000 0.895 271 L HN 0.134 nan 8.230 nan 0.000 0.433 272 Y N -0.603 119.770 120.300 0.121 0.000 2.384 272 Y HA -0.209 4.341 4.550 -0.000 0.000 0.289 272 Y C 2.554 178.510 175.900 0.093 0.000 1.152 272 Y CA 0.995 59.146 58.100 0.085 0.000 1.258 272 Y CB -1.042 37.441 38.460 0.038 0.000 0.979 272 Y HN 0.361 nan 8.280 nan 0.000 0.549 273 D N -1.395 119.156 120.400 0.251 0.000 2.194 273 D HA -0.178 4.462 4.640 -0.000 0.000 0.204 273 D C 1.940 178.365 176.300 0.209 0.000 0.964 273 D CA 0.670 54.782 54.000 0.188 0.000 0.846 273 D CB -0.083 40.806 40.800 0.149 0.000 0.962 273 D HN 0.377 nan 8.370 nan 0.000 0.490 274 Y N 1.453 121.831 120.300 0.130 0.000 2.220 274 Y HA -0.140 4.410 4.550 -0.000 0.000 0.291 274 Y C 2.097 178.103 175.900 0.177 0.000 1.129 274 Y CA 1.638 59.819 58.100 0.134 0.000 1.161 274 Y CB -0.499 38.044 38.460 0.140 0.000 0.997 274 Y HN -0.094 nan 8.280 nan 0.000 0.522 275 V N -1.131 118.858 119.914 0.125 0.000 2.871 275 V HA -0.042 4.078 4.120 -0.000 0.000 0.256 275 V C 0.597 176.727 176.094 0.060 0.000 1.082 275 V CA 1.145 63.508 62.300 0.105 0.000 1.105 275 V CB -0.943 31.144 31.823 0.440 0.000 0.713 275 V HN 0.297 nan 8.190 nan 0.000 0.473 276 D N 2.206 122.647 120.400 0.069 0.000 2.479 276 D HA 0.029 4.669 4.640 -0.000 0.000 0.257 276 D C 0.715 177.047 176.300 0.055 0.000 1.230 276 D CA 1.142 55.174 54.000 0.053 0.000 0.912 276 D CB -0.498 40.342 40.800 0.067 0.000 1.130 276 D HN 0.533 nan 8.370 nan 0.000 0.515 277 D N 2.546 123.018 120.400 0.120 0.000 2.751 277 D HA -0.260 4.380 4.640 -0.000 0.000 0.233 277 D C -0.914 175.370 176.300 -0.027 0.000 1.149 277 D CA 0.388 54.515 54.000 0.211 0.000 0.682 277 D CB -1.203 39.705 40.800 0.180 0.000 1.068 277 D HN 0.413 nan 8.370 nan 0.000 0.429 278 N N 0.095 118.695 118.700 -0.167 0.000 2.485 278 N HA 0.281 5.021 4.740 -0.000 0.000 0.243 278 N C -1.849 173.355 175.510 -0.510 0.000 0.987 278 N CA -1.978 50.887 53.050 -0.308 0.000 0.940 278 N CB 1.468 39.755 38.487 -0.334 0.000 1.122 278 N HN -0.047 nan 8.380 nan 0.000 0.509 279 P HA -0.094 nan 4.420 nan 0.000 0.218 279 P C 0.564 177.778 177.300 -0.144 0.000 1.146 279 P CA 1.025 63.871 63.100 -0.422 0.000 0.813 279 P CB 0.328 31.923 31.700 -0.174 0.000 0.778 280 A N -1.356 121.387 122.820 -0.129 0.000 2.169 280 A HA 0.076 4.396 4.320 -0.000 0.000 0.212 280 A C 0.854 178.415 177.584 -0.039 0.000 1.153 280 A CA 0.596 52.602 52.037 -0.050 0.000 0.756 280 A CB -0.389 18.594 19.000 -0.028 0.000 0.813 280 A HN 0.051 nan 8.150 nan 0.000 0.471 281 V N 2.309 122.187 119.914 -0.061 0.000 2.347 281 V HA 0.344 4.464 4.120 -0.000 0.000 0.280 281 V C -0.766 175.412 176.094 0.141 0.000 1.021 281 V CA -0.498 61.807 62.300 0.008 0.000 0.847 281 V CB 1.316 33.165 31.823 0.044 0.000 0.990 281 V HN 0.260 nan 8.190 nan 0.000 0.444 282 I N 5.535 126.149 120.570 0.073 0.000 2.355 282 I HA 0.466 4.636 4.170 -0.000 0.000 0.288 282 I C -0.155 175.973 176.117 0.017 0.000 0.999 282 I CA -0.326 61.054 61.300 0.134 0.000 1.163 282 I CB 1.135 39.176 38.000 0.068 0.000 1.316 282 I HN 0.374 nan 8.210 nan 0.000 0.454 286 I N 0.875 121.511 120.570 0.110 0.000 2.399 286 I HA -0.154 4.016 4.170 -0.000 0.000 0.254 286 I C 1.723 177.858 176.117 0.030 0.000 1.146 286 I CA 1.257 62.612 61.300 0.092 0.000 1.412 286 I CB -0.124 37.959 38.000 0.139 0.000 1.076 286 I HN 0.469 nan 8.210 nan 0.000 0.432 287 E N 0.647 120.857 120.200 0.016 0.000 2.265 287 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 287 E C 1.987 178.575 176.600 -0.021 0.000 0.996 287 E CA 1.233 57.624 56.400 -0.015 0.000 0.832 287 E CB 0.165 29.856 29.700 -0.015 0.000 0.756 287 E HN 0.607 nan 8.360 nan 0.000 0.491 288 Q N -0.701 119.101 119.800 0.003 0.000 2.388 288 Q HA 0.051 4.391 4.340 -0.000 0.000 0.204 288 Q C 1.957 177.942 176.000 -0.026 0.000 0.946 288 Q CA 0.783 56.585 55.803 -0.002 0.000 0.880 288 Q CB -0.260 28.521 28.738 0.073 0.000 0.997 288 Q HN 0.175 nan 8.270 nan 0.000 0.552 289 V N 1.212 121.133 119.914 0.013 0.000 2.469 289 V HA -0.228 3.892 4.120 -0.000 0.000 0.251 289 V C 0.292 176.387 176.094 0.001 0.000 1.064 289 V CA 1.971 64.292 62.300 0.034 0.000 1.066 289 V CB -0.195 31.596 31.823 -0.053 0.000 0.667 289 V HN 0.387 nan 8.190 nan 0.000 0.461 290 N N 0.591 119.228 118.700 -0.105 0.000 2.279 290 N HA 0.148 4.888 4.740 -0.000 0.000 0.226 290 N C -0.370 174.946 175.510 -0.323 0.000 1.126 290 N CA 0.028 52.889 53.050 -0.316 0.000 0.846 290 N CB -0.002 38.403 38.487 -0.137 0.000 1.050 290 N HN 0.476 nan 8.380 nan 0.000 0.502 291 D N 0.112 120.361 120.400 -0.252 0.000 2.359 291 D HA 0.031 4.671 4.640 -0.000 0.000 0.230 291 D C 1.250 177.387 176.300 -0.271 0.000 1.118 291 D CA -0.035 53.831 54.000 -0.225 0.000 0.844 291 D CB 1.010 41.714 40.800 -0.160 0.000 1.059 291 D HN 0.266 nan 8.370 nan 0.000 0.493 292 T N 0.497 114.892 114.554 -0.266 0.000 2.778 292 T HA -0.245 4.105 4.350 -0.000 0.000 0.269 292 T C 1.841 176.426 174.700 -0.191 0.000 1.050 292 T CA 1.728 63.688 62.100 -0.234 0.000 1.137 292 T CB -0.132 68.623 68.868 -0.189 0.000 0.860 292 T HN 0.254 nan 8.240 nan 0.000 0.468 293 S N 0.498 116.097 115.700 -0.169 0.000 2.399 293 S HA 0.020 4.490 4.470 -0.000 0.000 0.231 293 S C 1.926 176.417 174.600 -0.182 0.000 1.022 293 S CA 0.964 59.080 58.200 -0.139 0.000 0.983 293 S CB -0.570 62.567 63.200 -0.105 0.000 0.803 293 S HN 0.663 nan 8.310 nan 0.000 0.480 294 I N 0.531 120.941 120.570 -0.268 0.000 2.494 294 I HA 0.018 4.188 4.170 -0.000 0.000 0.250 294 I C 2.032 177.843 176.117 -0.510 0.000 1.112 294 I CA 0.590 61.623 61.300 -0.444 0.000 1.438 294 I CB -0.243 37.393 38.000 -0.606 0.000 1.111 294 I HN 0.270 nan 8.210 nan 0.000 0.431 295 I N 1.547 121.860 120.570 -0.429 0.000 2.208 295 I HA -0.317 3.853 4.170 -0.000 0.000 0.245 295 I C 2.682 178.656 176.117 -0.239 0.000 1.097 295 I CA 1.563 62.629 61.300 -0.390 0.000 1.363 295 I CB -0.594 37.254 38.000 -0.253 0.000 1.051 295 I HN 0.324 nan 8.210 nan 0.000 0.413 296 R N 1.856 122.252 120.500 -0.174 0.000 2.241 296 R HA -0.137 4.203 4.340 -0.000 0.000 0.224 296 R C 1.786 178.036 176.300 -0.084 0.000 1.101 296 R CA 1.080 57.120 56.100 -0.099 0.000 0.995 296 R CB -0.460 29.791 30.300 -0.080 0.000 0.870 296 R HN 0.337 nan 8.270 nan 0.000 0.463 297 K N 0.479 120.807 120.400 -0.120 0.000 2.211 297 K HA 0.003 4.323 4.320 -0.000 0.000 0.203 297 K C -0.005 176.589 176.600 -0.011 0.000 1.050 297 K CA 0.603 56.859 56.287 -0.052 0.000 0.945 297 K CB -0.040 32.439 32.500 -0.035 0.000 0.732 297 K HN 0.214 nan 8.250 nan 0.000 0.451 298 N N 1.877 120.553 118.700 -0.041 0.000 2.434 298 N HA 0.162 4.902 4.740 -0.000 0.000 0.272 298 N C -2.602 172.914 175.510 0.010 0.000 1.040 298 N CA -1.639 51.415 53.050 0.005 0.000 0.956 298 N CB 1.176 39.663 38.487 0.000 0.000 1.108 298 N HN -0.002 nan 8.380 nan 0.000 0.481 299 P HA 0.121 nan 4.420 nan 0.000 0.274 299 P C -0.366 176.954 177.300 0.035 0.000 1.231 299 P CA -0.092 63.024 63.100 0.028 0.000 0.790 299 P CB 0.626 32.343 31.700 0.029 0.000 0.951 300 N N -1.521 117.202 118.700 0.040 0.000 2.735 300 N HA -0.111 4.629 4.740 -0.000 0.000 0.248 300 N C 0.239 175.778 175.510 0.048 0.000 1.083 300 N CA 0.417 53.495 53.050 0.047 0.000 0.703 300 N CB -2.021 36.492 38.487 0.044 0.000 1.005 300 N HN 0.195 nan 8.380 nan 0.000 0.550 304 I N 3.721 124.260 120.570 -0.052 0.000 2.382 304 I HA 0.384 4.554 4.170 -0.000 0.000 0.285 304 I C -0.254 175.845 176.117 -0.030 0.000 1.007 304 I CA -0.450 60.828 61.300 -0.036 0.000 1.142 304 I CB 1.551 39.519 38.000 -0.054 0.000 1.289 304 I HN 0.652 nan 8.210 nan 0.000 0.453 305 N N 3.269 121.975 118.700 0.009 0.000 2.701 305 N HA 0.516 5.256 4.740 -0.000 0.000 0.290 305 N C -1.000 174.535 175.510 0.042 0.000 1.338 305 N CA -0.575 52.492 53.050 0.029 0.000 0.799 305 N CB 2.270 40.792 38.487 0.059 0.000 1.491 305 N HN 0.437 nan 8.380 nan 0.000 0.540 306 S N -1.142 114.593 115.700 0.058 0.000 2.751 306 S HA 0.904 5.374 4.470 -0.000 0.000 0.310 306 S C -1.421 173.214 174.600 0.058 0.000 1.128 306 S CA -0.413 57.819 58.200 0.053 0.000 0.931 306 S CB 1.518 64.749 63.200 0.052 0.000 1.177 306 S HN 0.733 nan 8.310 nan 0.000 0.530 307 A N 0.429 123.272 122.820 0.039 0.000 2.602 307 A HA 0.679 4.999 4.320 -0.000 0.000 0.290 307 A C -0.317 177.262 177.584 -0.008 0.000 1.114 307 A CA -0.622 51.432 52.037 0.028 0.000 0.683 307 A CB 0.330 19.350 19.000 0.034 0.000 1.281 307 A HN 0.717 nan 8.150 nan 0.000 0.416 308 L N -0.716 120.489 121.223 -0.029 0.000 2.286 308 L HA 0.328 4.668 4.340 -0.000 0.000 0.203 308 L C 1.003 177.839 176.870 -0.057 0.000 1.068 308 L CA 0.818 55.611 54.840 -0.077 0.000 0.811 308 L CB 0.220 42.207 42.059 -0.120 0.000 0.989 308 L HN 0.782 nan 8.230 nan 0.000 0.467 309 Q N 0.321 120.103 119.800 -0.030 0.000 2.309 309 Q HA 0.533 4.873 4.340 -0.000 0.000 0.273 309 Q C -1.935 174.067 176.000 0.002 0.000 1.040 309 Q CA -0.388 55.401 55.803 -0.023 0.000 0.834 309 Q CB 3.055 31.776 28.738 -0.028 0.000 1.345 309 Q HN -0.113 nan 8.270 nan 0.000 0.414 310 V N 3.193 123.110 119.914 0.004 0.000 2.638 310 V HA 0.336 4.456 4.120 -0.000 0.000 0.306 310 V C -0.632 175.473 176.094 0.018 0.000 1.052 310 V CA -0.858 61.452 62.300 0.017 0.000 0.885 310 V CB 1.812 33.644 31.823 0.015 0.000 0.999 310 V HN 0.941 nan 8.190 nan 0.000 0.424 311 D N 3.447 123.867 120.400 0.034 0.000 2.387 311 D HA 0.270 4.910 4.640 -0.000 0.000 0.251 311 D C 0.945 177.220 176.300 -0.041 0.000 1.141 311 D CA -0.760 53.271 54.000 0.052 0.000 0.987 311 D CB 1.188 42.081 40.800 0.155 0.000 1.116 311 D HN 0.337 nan 8.370 nan 0.000 0.491 312 L N -0.517 120.657 121.223 -0.081 0.000 2.642 312 L HA -0.087 4.253 4.340 -0.000 0.000 0.236 312 L C 1.848 178.477 176.870 -0.402 0.000 1.169 312 L CA 0.860 55.567 54.840 -0.222 0.000 0.851 312 L CB -0.480 41.431 42.059 -0.247 0.000 0.968 312 L HN 0.553 nan 8.230 nan 0.000 0.453 313 T N -1.659 112.634 114.554 -0.434 0.000 2.990 313 T HA 0.233 4.582 4.350 -0.000 0.000 0.250 313 T C 1.250 175.831 174.700 -0.200 0.000 1.041 313 T CA 0.836 62.663 62.100 -0.454 0.000 1.010 313 T CB 0.378 68.828 68.868 -0.697 0.000 1.003 313 T HN 0.543 nan 8.240 nan 0.000 0.499 314 G N 1.274 110.006 108.800 -0.114 0.000 2.192 314 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.193 314 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.193 314 G C -0.138 174.767 174.900 0.009 0.000 0.999 314 G CA -0.441 44.636 45.100 -0.040 0.000 0.659 314 G HN 0.532 nan 8.290 nan 0.000 0.503 315 Q N 0.549 120.361 119.800 0.021 0.000 2.297 315 Q HA 0.475 4.815 4.340 -0.000 0.000 0.267 315 Q C -0.051 175.986 176.000 0.062 0.000 1.006 315 Q CA -0.045 55.797 55.803 0.063 0.000 0.896 315 Q CB 2.136 30.929 28.738 0.092 0.000 1.186 315 Q HN 0.189 nan 8.270 nan 0.000 0.392 316 V N 2.819 122.776 119.914 0.071 0.000 2.394 316 V HA 0.214 4.334 4.120 -0.000 0.000 0.282 316 V C -0.243 175.889 176.094 0.063 0.000 1.031 316 V CA -0.802 61.535 62.300 0.062 0.000 0.881 316 V CB 1.504 33.368 31.823 0.068 0.000 0.982 316 V HN 0.897 nan 8.190 nan 0.000 0.451 317 C N 4.919 124.247 119.300 0.047 0.000 2.319 317 C HA 0.842 5.302 4.460 -0.000 0.000 0.323 317 C C 0.850 175.857 174.990 0.028 0.000 1.277 317 C CA 0.313 59.355 59.018 0.039 0.000 1.517 317 C CB 0.333 28.088 27.740 0.025 0.000 2.206 317 C HN 1.056 nan 8.230 nan 0.000 0.486 318 A N 3.885 126.728 122.820 0.039 0.000 2.704 318 A HA 0.263 4.583 4.320 -0.000 0.000 0.260 318 A C 0.954 178.559 177.584 0.035 0.000 1.144 318 A CA 0.437 52.498 52.037 0.039 0.000 0.985 318 A CB -0.005 19.040 19.000 0.074 0.000 1.256 318 A HN 0.907 nan 8.150 nan 0.000 0.598 319 D N -0.115 120.291 120.400 0.010 0.000 2.433 319 D HA 0.157 4.797 4.640 -0.000 0.000 0.211 319 D C 0.377 176.625 176.300 -0.085 0.000 1.114 319 D CA 1.029 54.996 54.000 -0.055 0.000 0.837 319 D CB 0.137 40.920 40.800 -0.029 0.000 0.984 319 D HN 0.394 nan 8.370 nan 0.000 0.505 320 S N -0.804 114.874 115.700 -0.037 0.000 2.636 320 S HA 0.554 5.024 4.470 -0.000 0.000 0.266 320 S C -1.181 173.397 174.600 -0.036 0.000 1.147 320 S CA -1.021 57.157 58.200 -0.035 0.000 0.815 320 S CB 0.805 63.961 63.200 -0.074 0.000 1.119 320 S HN 0.065 nan 8.310 nan 0.000 0.470 321 I N 2.211 122.764 120.570 -0.029 0.000 2.502 321 I HA 0.590 4.760 4.170 -0.000 0.000 0.276 321 I C 1.001 177.104 176.117 -0.023 0.000 1.057 321 I CA 0.308 61.585 61.300 -0.039 0.000 1.163 321 I CB 0.326 38.296 38.000 -0.049 0.000 1.288 321 I HN 1.307 nan 8.210 nan 0.000 0.479 322 G N 4.592 113.382 108.800 -0.017 0.000 2.552 322 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.267 322 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.267 322 G C 0.750 175.647 174.900 -0.006 0.000 1.174 322 G CA 0.481 45.576 45.100 -0.009 0.000 0.955 322 G HN 0.559 nan 8.290 nan 0.000 0.546 323 T N -0.193 114.357 114.554 -0.007 0.000 3.040 323 T HA 0.360 4.710 4.350 -0.000 0.000 0.250 323 T C 0.716 175.406 174.700 -0.017 0.000 1.058 323 T CA 1.162 63.259 62.100 -0.004 0.000 0.988 323 T CB 0.060 68.929 68.868 0.001 0.000 0.993 323 T HN 0.781 nan 8.240 nan 0.000 0.519 324 K N 2.632 123.017 120.400 -0.025 0.000 2.262 324 K HA 0.338 4.658 4.320 -0.000 0.000 0.282 324 K C -0.367 176.191 176.600 -0.069 0.000 1.066 324 K CA -0.853 55.411 56.287 -0.038 0.000 0.901 324 K CB 0.998 33.488 32.500 -0.018 0.000 1.089 324 K HN 0.132 nan 8.250 nan 0.000 0.476 325 I N 3.843 124.326 120.570 -0.146 0.000 2.533 325 I HA -0.066 4.104 4.170 -0.000 0.000 0.284 325 I C 1.187 177.171 176.117 -0.222 0.000 1.109 325 I CA 0.030 61.151 61.300 -0.298 0.000 1.412 325 I CB -0.451 37.199 38.000 -0.584 0.000 1.396 325 I HN 0.688 nan 8.210 nan 0.000 0.543 326 Y N 5.872 125.990 120.300 -0.303 0.000 2.422 326 Y HA -0.074 4.476 4.550 -0.000 0.000 0.291 326 Y C 1.866 177.595 175.900 -0.285 0.000 1.144 326 Y CA 1.311 59.275 58.100 -0.227 0.000 1.208 326 Y CB 0.631 39.000 38.460 -0.151 0.000 1.195 326 Y HN 0.710 nan 8.280 nan 0.000 0.535 327 S N -1.412 114.096 115.700 -0.320 0.000 3.830 327 S HA 0.758 5.228 4.470 -0.000 0.000 0.172 327 S C 0.423 174.383 174.600 -1.068 0.000 0.966 327 S CA 0.035 57.825 58.200 -0.683 0.000 1.124 327 S CB 1.097 64.021 63.200 -0.460 0.000 1.697 327 S HN 0.520 nan 8.310 nan 0.000 0.872 328 G N -0.200 107.918 108.800 -1.137 0.000 2.451 328 G HA2 0.473 4.433 3.960 -0.000 0.000 0.292 328 G HA3 0.473 4.433 3.960 -0.000 0.000 0.292 328 G C 0.091 174.987 174.900 -0.006 0.000 1.427 328 G CA -0.004 44.791 45.100 -0.509 0.000 0.792 328 G HN 0.614 nan 8.290 nan 0.000 0.498 329 V N 0.810 120.867 119.914 0.240 0.000 2.295 329 V HA 0.183 4.303 4.120 -0.000 0.000 0.246 329 V C 2.710 179.037 176.094 0.388 0.000 1.049 329 V CA 3.182 65.638 62.300 0.259 0.000 1.024 329 V CB -1.371 30.542 31.823 0.150 0.000 0.648 329 V HN 2.352 nan 8.190 nan 0.000 0.447 330 G N 0.200 109.313 108.800 0.521 0.000 2.596 330 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.304 330 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.304 330 G C 0.742 175.862 174.900 0.367 0.000 1.189 330 G CA 0.244 45.641 45.100 0.496 0.000 0.986 330 G HN 1.509 nan 8.290 nan 0.000 0.548 331 G N -0.170 108.833 108.800 0.340 0.000 5.129 331 G HA2 0.597 4.557 3.960 -0.000 0.000 0.253 331 G HA3 0.597 4.557 3.960 -0.000 0.000 0.253 331 G C 0.321 175.424 174.900 0.338 0.000 0.912 331 G CA 1.150 46.424 45.100 0.290 0.000 0.729 331 G HN 1.136 nan 8.290 nan 0.000 0.373 335 F N 1.592 121.522 119.950 -0.034 0.000 2.259 335 F HA 0.205 4.732 4.527 -0.000 0.000 0.298 335 F C 2.314 178.120 175.800 0.010 0.000 1.088 335 F CA 0.847 58.844 58.000 -0.004 0.000 1.358 335 F CB -0.143 38.866 39.000 0.016 0.000 1.040 335 F HN -0.017 nan 8.300 nan 0.000 0.505 336 I N -0.835 119.843 120.570 0.179 0.000 2.439 336 I HA -0.221 3.949 4.170 -0.000 0.000 0.251 336 I C 2.515 178.717 176.117 0.141 0.000 1.139 336 I CA 0.811 62.200 61.300 0.148 0.000 1.438 336 I CB -0.216 37.847 38.000 0.106 0.000 1.085 336 I HN -0.018 nan 8.210 nan 0.000 0.427 337 R N 1.470 122.032 120.500 0.104 0.000 2.062 337 R HA -0.028 4.312 4.340 -0.000 0.000 0.226 337 R C 2.223 178.548 176.300 0.043 0.000 1.125 337 R CA 1.700 57.871 56.100 0.118 0.000 0.966 337 R CB -1.200 29.167 30.300 0.111 0.000 0.861 337 R HN 0.271 nan 8.270 nan 0.000 0.433 338 G N -0.174 108.624 108.800 -0.005 0.000 2.442 338 G HA2 -0.263 3.696 3.960 -0.000 0.000 0.219 338 G HA3 -0.263 3.696 3.960 -0.000 0.000 0.219 338 G C 1.533 176.447 174.900 0.023 0.000 1.141 338 G CA 0.927 46.008 45.100 -0.032 0.000 0.763 338 G HN 0.492 nan 8.290 nan 0.000 0.554 339 A N 0.739 123.609 122.820 0.082 0.000 1.933 339 A HA 0.176 4.496 4.320 -0.000 0.000 0.218 339 A C 2.673 180.313 177.584 0.093 0.000 1.175 339 A CA 2.023 54.125 52.037 0.109 0.000 0.628 339 A CB -0.870 18.224 19.000 0.157 0.000 0.814 339 A HN 0.509 nan 8.150 nan 0.000 0.444 340 G N -0.463 108.384 108.800 0.078 0.000 2.421 340 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.217 340 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.217 340 G C 1.480 176.383 174.900 0.005 0.000 1.143 340 G CA 0.864 45.984 45.100 0.035 0.000 0.784 340 G HN 0.433 nan 8.290 nan 0.000 0.541 341 L N 0.811 122.035 121.223 0.003 0.000 2.240 341 L HA 0.112 4.452 4.340 -0.000 0.000 0.211 341 L C 1.890 178.755 176.870 -0.009 0.000 1.106 341 L CA 0.038 54.870 54.840 -0.014 0.000 0.793 341 L CB -0.235 41.807 42.059 -0.027 0.000 0.927 341 L HN 0.214 nan 8.230 nan 0.000 0.446 342 S N 0.618 116.321 115.700 0.004 0.000 2.572 342 S HA 0.010 4.480 4.470 -0.000 0.000 0.279 342 S C 0.247 174.858 174.600 0.018 0.000 1.341 342 S CA -0.564 57.641 58.200 0.008 0.000 1.043 342 S CB 0.330 63.541 63.200 0.019 0.000 0.887 342 S HN 0.205 nan 8.310 nan 0.000 0.516 343 E N 2.375 122.585 120.200 0.016 0.000 2.383 343 E HA 0.296 4.646 4.350 -0.000 0.000 0.257 343 E C 1.153 177.774 176.600 0.034 0.000 1.079 343 E CA 0.508 56.921 56.400 0.021 0.000 0.934 343 E CB -0.088 29.622 29.700 0.018 0.000 0.978 343 E HN 1.004 nan 8.360 nan 0.000 0.462 344 G N 3.177 112.002 108.800 0.042 0.000 2.153 344 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.252 344 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.252 344 G C 0.559 175.510 174.900 0.085 0.000 0.994 344 G CA -0.202 44.935 45.100 0.061 0.000 0.698 344 G HN 0.760 nan 8.290 nan 0.000 0.521 345 G N -0.774 108.077 108.800 0.084 0.000 2.527 345 G HA2 0.624 4.584 3.960 -0.000 0.000 0.248 345 G HA3 0.624 4.584 3.960 -0.000 0.000 0.248 345 G C 0.017 175.031 174.900 0.190 0.000 1.231 345 G CA -0.345 44.820 45.100 0.109 0.000 0.838 345 G HN 0.603 nan 8.290 nan 0.000 0.570 346 R N -0.463 120.159 120.500 0.203 0.000 2.698 346 R HA 0.588 4.928 4.340 -0.000 0.000 0.275 346 R C -0.491 175.932 176.300 0.205 0.000 1.001 346 R CA -0.654 55.626 56.100 0.300 0.000 0.896 346 R CB 2.359 32.770 30.300 0.186 0.000 1.218 346 R HN 0.763 nan 8.270 nan 0.000 0.462 347 S N 0.155 116.004 115.700 0.248 0.000 2.599 347 S HA 0.852 5.322 4.470 -0.000 0.000 0.294 347 S C -0.905 173.761 174.600 0.109 0.000 1.094 347 S CA -0.707 57.591 58.200 0.163 0.000 0.931 347 S CB 2.074 65.399 63.200 0.209 0.000 1.093 347 S HN 0.222 nan 8.310 nan 0.000 0.488 348 V N 2.054 122.014 119.914 0.076 0.000 2.817 348 V HA 0.414 4.534 4.120 -0.000 0.000 0.303 348 V C -1.320 174.809 176.094 0.059 0.000 1.151 348 V CA -0.679 61.658 62.300 0.062 0.000 0.929 348 V CB 1.957 33.761 31.823 -0.032 0.000 1.030 348 V HN 0.911 nan 8.190 nan 0.000 0.427 349 I N 4.011 124.626 120.570 0.075 0.000 2.330 349 I HA 0.621 4.790 4.170 -0.000 0.000 0.286 349 I C 0.475 176.621 176.117 0.049 0.000 1.025 349 I CA -0.120 61.217 61.300 0.063 0.000 1.197 349 I CB 1.399 39.442 38.000 0.071 0.000 1.358 349 I HN 0.751 nan 8.210 nan 0.000 0.467 350 A N 8.880 131.721 122.820 0.036 0.000 2.288 350 A HA 0.893 5.212 4.320 -0.000 0.000 0.320 350 A C -0.469 177.134 177.584 0.032 0.000 1.217 350 A CA -0.454 51.601 52.037 0.030 0.000 0.840 350 A CB 1.140 20.151 19.000 0.018 0.000 1.179 350 A HN 0.747 nan 8.150 nan 0.000 0.504 351 L N -0.064 121.179 121.223 0.034 0.000 2.582 351 L HA 0.734 5.074 4.340 -0.000 0.000 0.257 351 L C -3.244 173.649 176.870 0.038 0.000 0.974 351 L CA -2.418 52.440 54.840 0.030 0.000 0.851 351 L CB 1.873 43.946 42.059 0.024 0.000 1.424 351 L HN 0.275 nan 8.230 nan 0.000 0.412 352 P HA 0.120 nan 4.420 nan 0.000 0.268 352 P C 0.671 178.021 177.300 0.083 0.000 1.205 352 P CA -0.056 63.075 63.100 0.052 0.000 0.771 352 P CB 1.171 32.897 31.700 0.043 0.000 0.858 353 S N 0.856 116.648 115.700 0.152 0.000 2.419 353 S HA -0.073 4.397 4.470 -0.000 0.000 0.233 353 S C 0.911 175.605 174.600 0.156 0.000 1.016 353 S CA 1.451 59.782 58.200 0.219 0.000 0.974 353 S CB -1.039 62.436 63.200 0.457 0.000 0.786 353 S HN 0.666 nan 8.310 nan 0.000 0.492 354 T N -2.148 112.490 114.554 0.140 0.000 2.693 354 T HA 0.887 5.237 4.350 -0.000 0.000 0.278 354 T C -0.540 174.174 174.700 0.023 0.000 0.994 354 T CA -0.390 61.747 62.100 0.062 0.000 1.033 354 T CB 1.478 70.416 68.868 0.117 0.000 1.342 354 T HN 0.891 nan 8.240 nan 0.000 0.538 355 A N -0.928 121.892 122.820 -0.000 0.000 2.493 355 A HA 0.886 5.206 4.320 -0.000 0.000 0.300 355 A C 0.341 177.924 177.584 -0.002 0.000 1.152 355 A CA -0.246 51.784 52.037 -0.010 0.000 0.643 355 A CB 0.105 19.079 19.000 -0.045 0.000 1.316 355 A HN 2.536 nan 8.150 nan 0.000 0.469 356 A N -1.563 121.254 122.820 -0.006 0.000 2.799 356 A HA 0.318 4.638 4.320 -0.000 0.000 0.287 356 A C 1.943 179.538 177.584 0.017 0.000 1.484 356 A CA 2.328 54.367 52.037 0.003 0.000 0.813 356 A CB -1.847 17.152 19.000 -0.001 0.000 1.009 356 A HN 3.119 nan 8.150 nan 0.000 0.545 357 G N -3.023 105.790 108.800 0.022 0.000 2.195 357 G HA2 0.325 4.285 3.960 -0.000 0.000 0.246 357 G HA3 0.325 4.285 3.960 -0.000 0.000 0.246 357 G C 1.021 175.939 174.900 0.030 0.000 0.984 357 G CA 0.903 46.019 45.100 0.026 0.000 0.633 357 G HN 2.886 nan 8.290 nan 0.000 0.525 358 G N -0.732 108.090 108.800 0.037 0.000 2.154 358 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.186 358 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.186 358 G C 0.973 175.929 174.900 0.094 0.000 1.000 358 G CA 0.773 45.897 45.100 0.039 0.000 0.664 358 G HN 1.236 nan 8.290 nan 0.000 0.513 359 R N -0.226 120.337 120.500 0.104 0.000 2.265 359 R HA 0.381 4.721 4.340 -0.000 0.000 0.194 359 R C 0.875 177.304 176.300 0.215 0.000 0.931 359 R CA 0.256 56.456 56.100 0.167 0.000 1.032 359 R CB 0.503 30.853 30.300 0.084 0.000 0.980 359 R HN 0.457 nan 8.270 nan 0.000 0.497 360 I N 1.417 122.025 120.570 0.062 0.000 2.378 360 I HA 0.142 4.312 4.170 -0.000 0.000 0.291 360 I C -0.128 175.797 176.117 -0.321 0.000 0.992 360 I CA -0.818 60.414 61.300 -0.113 0.000 1.154 360 I CB 2.119 40.072 38.000 -0.079 0.000 1.315 360 I HN -0.094 nan 8.210 nan 0.000 0.448 361 S N 5.516 120.775 115.700 -0.735 0.000 2.465 361 S HA 0.282 4.752 4.470 -0.000 0.000 0.279 361 S C 1.217 175.619 174.600 -0.330 0.000 1.201 361 S CA -0.503 57.230 58.200 -0.778 0.000 1.053 361 S CB 0.608 63.027 63.200 -1.302 0.000 0.953 361 S HN 0.587 nan 8.310 nan 0.000 0.488 362 R N 3.444 123.840 120.500 -0.174 0.000 2.189 362 R HA 0.113 4.453 4.340 -0.000 0.000 0.223 362 R C 0.108 176.365 176.300 -0.072 0.000 1.092 362 R CA 0.867 56.910 56.100 -0.094 0.000 0.989 362 R CB -0.161 30.114 30.300 -0.041 0.000 0.876 362 R HN 0.631 nan 8.270 nan 0.000 0.457 363 I N 1.794 122.318 120.570 -0.078 0.000 2.282 363 I HA 0.187 4.357 4.170 -0.000 0.000 0.290 363 I C 0.040 176.118 176.117 -0.065 0.000 1.090 363 I CA -0.503 60.773 61.300 -0.041 0.000 1.231 363 I CB 1.156 39.154 38.000 -0.005 0.000 1.434 363 I HN -0.014 nan 8.210 nan 0.000 0.487 364 A N 3.845 126.643 122.820 -0.038 0.000 2.294 364 A HA 0.487 4.807 4.320 -0.000 0.000 0.330 364 A C 1.201 178.825 177.584 0.065 0.000 1.133 364 A CA -0.299 51.728 52.037 -0.016 0.000 0.836 364 A CB 0.974 19.963 19.000 -0.017 0.000 1.190 364 A HN 0.722 nan 8.150 nan 0.000 0.492 365 S N 0.050 115.816 115.700 0.110 0.000 2.399 365 S HA 0.041 4.511 4.470 -0.000 0.000 0.231 365 S C 0.639 175.468 174.600 0.381 0.000 1.022 365 S CA 1.323 59.664 58.200 0.236 0.000 0.983 365 S CB -0.432 62.901 63.200 0.222 0.000 0.803 365 S HN 1.553 nan 8.310 nan 0.000 0.480 366 V N 0.560 120.609 119.914 0.225 0.000 3.012 366 V HA 0.511 4.631 4.120 -0.000 0.000 0.307 366 V C -1.375 174.789 176.094 0.117 0.000 1.166 366 V CA -1.276 61.159 62.300 0.225 0.000 0.974 366 V CB 1.943 33.819 31.823 0.088 0.000 1.040 366 V HN 0.321 nan 8.190 nan 0.000 0.428 367 L N 3.577 124.869 121.223 0.116 0.000 2.456 367 L HA 0.360 4.700 4.340 -0.000 0.000 0.272 367 L C 0.863 177.754 176.870 0.034 0.000 1.189 367 L CA 0.923 55.803 54.840 0.065 0.000 0.846 367 L CB 1.141 43.243 42.059 0.073 0.000 1.111 367 L HN 0.825 nan 8.230 nan 0.000 0.475 368 S N 4.287 119.996 115.700 0.016 0.000 2.558 368 S HA 0.100 4.570 4.470 -0.000 0.000 0.288 368 S C -2.216 172.388 174.600 0.005 0.000 1.318 368 S CA -0.718 57.484 58.200 0.004 0.000 1.056 368 S CB -0.060 63.136 63.200 -0.006 0.000 0.853 368 S HN 0.449 nan 8.310 nan 0.000 0.505 369 P HA 0.098 nan 4.420 nan 0.000 0.256 369 P C 0.909 178.212 177.300 0.004 0.000 1.173 369 P CA 1.228 64.327 63.100 -0.001 0.000 0.768 369 P CB -0.207 31.489 31.700 -0.006 0.000 0.758 370 G N 2.562 111.369 108.800 0.011 0.000 2.176 370 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.253 370 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.253 370 G C 0.465 175.377 174.900 0.021 0.000 0.979 370 G CA -0.122 44.987 45.100 0.016 0.000 0.641 370 G HN 0.843 nan 8.290 nan 0.000 0.530 371 A N 0.438 123.270 122.820 0.020 0.000 2.540 371 A HA 0.546 4.866 4.320 -0.000 0.000 0.239 371 A C 1.223 178.828 177.584 0.036 0.000 1.061 371 A CA 1.078 53.128 52.037 0.021 0.000 0.758 371 A CB 0.326 19.340 19.000 0.022 0.000 0.991 371 A HN 1.865 nan 8.150 nan 0.000 0.502 372 G N 1.539 110.361 108.800 0.036 0.000 2.360 372 G HA2 0.454 4.414 3.960 -0.000 0.000 0.279 372 G HA3 0.454 4.414 3.960 -0.000 0.000 0.279 372 G C -0.207 174.731 174.900 0.063 0.000 1.189 372 G CA -0.310 44.824 45.100 0.057 0.000 0.941 372 G HN 0.735 nan 8.290 nan 0.000 0.445 373 V N 3.967 123.925 119.914 0.073 0.000 2.427 373 V HA 0.020 4.140 4.120 -0.000 0.000 0.268 373 V C 1.172 177.325 176.094 0.098 0.000 1.046 373 V CA -0.187 62.163 62.300 0.084 0.000 0.970 373 V CB 1.205 33.083 31.823 0.092 0.000 1.001 373 V HN 0.576 nan 8.190 nan 0.000 0.476 374 V N 3.823 123.797 119.914 0.100 0.000 2.672 374 V HA 0.067 4.187 4.120 -0.000 0.000 0.242 374 V C 0.968 177.127 176.094 0.108 0.000 1.059 374 V CA 1.106 63.477 62.300 0.120 0.000 1.081 374 V CB 0.308 32.203 31.823 0.121 0.000 0.752 374 V HN 0.851 nan 8.190 nan 0.000 0.472 375 T N 1.452 116.055 114.554 0.083 0.000 2.792 375 T HA 0.491 4.841 4.350 -0.000 0.000 0.280 375 T C 0.071 174.856 174.700 0.142 0.000 0.990 375 T CA -0.248 61.882 62.100 0.050 0.000 0.960 375 T CB 1.615 70.501 68.868 0.030 0.000 0.939 375 T HN 0.540 nan 8.240 nan 0.000 0.439 376 T N 0.983 115.699 114.554 0.271 0.000 2.824 376 T HA 0.388 4.738 4.350 -0.000 0.000 0.277 376 T C 1.522 176.324 174.700 0.170 0.000 0.975 376 T CA -0.848 61.388 62.100 0.227 0.000 0.966 376 T CB 1.037 70.049 68.868 0.239 0.000 1.054 376 T HN 0.518 nan 8.240 nan 0.000 0.533 377 R N 0.606 121.162 120.500 0.094 0.000 2.115 377 R HA -0.136 4.204 4.340 -0.000 0.000 0.239 377 R C 2.819 179.134 176.300 0.025 0.000 1.133 377 R CA 1.694 57.820 56.100 0.043 0.000 0.935 377 R CB -1.228 29.081 30.300 0.015 0.000 0.853 377 R HN 0.831 nan 8.270 nan 0.000 0.433 378 A N 0.366 123.178 122.820 -0.014 0.000 2.032 378 A HA -0.225 4.095 4.320 -0.000 0.000 0.221 378 A C 1.693 179.214 177.584 -0.104 0.000 1.165 378 A CA 1.712 53.699 52.037 -0.085 0.000 0.645 378 A CB -0.666 18.248 19.000 -0.144 0.000 0.807 378 A HN 0.437 nan 8.150 nan 0.000 0.453 379 H N -1.076 118.002 119.070 0.013 0.000 2.343 379 H HA 0.098 4.654 4.556 -0.000 0.000 0.303 379 H C 0.658 176.009 175.328 0.038 0.000 1.068 379 H CA 0.753 56.815 56.048 0.023 0.000 1.359 379 H CB -0.078 29.709 29.762 0.042 0.000 1.402 379 H HN 0.236 nan 8.280 nan 0.000 0.515 380 V N 1.504 121.526 119.914 0.178 0.000 2.752 380 V HA -0.169 3.951 4.120 -0.000 0.000 0.306 380 V C 1.124 177.296 176.094 0.131 0.000 1.099 380 V CA 1.169 63.551 62.300 0.138 0.000 1.240 380 V CB 0.682 32.559 31.823 0.091 0.000 0.887 380 V HN 0.577 nan 8.190 nan 0.000 0.499 381 H N 2.969 122.052 119.070 0.022 0.000 2.269 381 H HA 0.325 4.881 4.556 -0.000 0.000 0.216 381 H C -0.281 174.961 175.328 -0.144 0.000 0.985 381 H CA -0.398 55.613 56.048 -0.061 0.000 1.274 381 H CB 0.625 30.400 29.762 0.021 0.000 1.283 381 H HN 0.531 nan 8.280 nan 0.000 0.491 382 Y N 0.535 120.838 120.300 0.006 0.000 2.487 382 Y HA 0.501 5.051 4.550 -0.000 0.000 0.337 382 Y C -0.611 175.277 175.900 -0.021 0.000 1.076 382 Y CA -0.774 57.280 58.100 -0.077 0.000 1.115 382 Y CB 2.108 40.441 38.460 -0.211 0.000 1.235 382 Y HN 0.147 nan 8.280 nan 0.000 0.468 383 I N 3.617 124.300 120.570 0.188 0.000 2.500 383 I HA 0.379 4.549 4.170 -0.000 0.000 0.286 383 I C -1.289 174.878 176.117 0.084 0.000 1.063 383 I CA -0.955 60.407 61.300 0.105 0.000 1.062 383 I CB 1.652 39.693 38.000 0.069 0.000 1.223 383 I HN 0.327 nan 8.210 nan 0.000 0.435 384 V N 1.991 121.936 119.914 0.052 0.000 2.715 384 V HA 0.826 4.945 4.120 -0.000 0.000 0.310 384 V C -0.329 175.782 176.094 0.029 0.000 1.054 384 V CA -0.065 62.246 62.300 0.018 0.000 0.928 384 V CB 1.873 33.700 31.823 0.006 0.000 1.007 384 V HN 0.705 nan 8.190 nan 0.000 0.437 385 T N 1.675 116.238 114.554 0.014 0.000 2.812 385 T HA 0.364 4.714 4.350 -0.000 0.000 0.294 385 T C 0.783 175.503 174.700 0.033 0.000 1.159 385 T CA 0.149 62.278 62.100 0.048 0.000 1.008 385 T CB 1.831 70.766 68.868 0.112 0.000 1.289 385 T HN 0.962 nan 8.240 nan 0.000 0.514 386 E N 0.303 120.478 120.200 -0.041 0.000 2.463 386 E HA -0.163 4.187 4.350 -0.000 0.000 0.201 386 E C 0.081 176.530 176.600 -0.250 0.000 1.045 386 E CA 1.604 57.912 56.400 -0.153 0.000 0.872 386 E CB -0.194 29.289 29.700 -0.362 0.000 0.797 386 E HN 0.725 nan 8.360 nan 0.000 0.538 387 Y N 0.504 120.832 120.300 0.047 0.000 2.555 387 Y HA 0.426 4.976 4.550 -0.000 0.000 0.259 387 Y C 1.209 176.987 175.900 -0.203 0.000 1.179 387 Y CA 0.264 58.355 58.100 -0.015 0.000 1.230 387 Y CB 1.223 39.671 38.460 -0.021 0.000 1.146 387 Y HN 0.247 nan 8.280 nan 0.000 0.526 388 G N 0.045 108.545 108.800 -0.499 0.000 2.331 388 G HA2 0.373 4.333 3.960 -0.000 0.000 0.402 388 G HA3 0.373 4.333 3.960 -0.000 0.000 0.402 388 G C -1.539 173.144 174.900 -0.361 0.000 1.275 388 G CA -0.623 44.062 45.100 -0.692 0.000 1.003 388 G HN 0.386 nan 8.290 nan 0.000 0.500 389 A N -0.976 121.727 122.820 -0.195 0.000 2.380 389 A HA 1.094 5.414 4.320 -0.000 0.000 0.315 389 A C 0.162 177.785 177.584 0.064 0.000 1.101 389 A CA 0.494 52.517 52.037 -0.023 0.000 0.771 389 A CB 1.634 20.637 19.000 0.005 0.000 1.287 389 A HN 2.556 nan 8.150 nan 0.000 0.436 390 A N 1.726 124.615 122.820 0.116 0.000 2.335 390 A HA 0.633 4.953 4.320 -0.000 0.000 0.304 390 A C -0.769 176.845 177.584 0.051 0.000 1.118 390 A CA -0.642 51.438 52.037 0.073 0.000 0.757 390 A CB 0.772 19.790 19.000 0.031 0.000 1.188 390 A HN 0.708 nan 8.150 nan 0.000 0.460 391 N N 2.811 121.485 118.700 -0.044 0.000 2.439 391 N HA 0.374 5.114 4.740 -0.000 0.000 0.249 391 N C 0.264 175.697 175.510 -0.129 0.000 1.003 391 N CA -0.351 52.547 53.050 -0.253 0.000 0.942 391 N CB 0.891 39.193 38.487 -0.308 0.000 1.115 391 N HN 0.628 nan 8.380 nan 0.000 0.505 392 L N 1.613 122.776 121.223 -0.099 0.000 2.616 392 L HA 0.229 4.569 4.340 -0.000 0.000 0.229 392 L C 0.976 177.803 176.870 -0.071 0.000 1.110 392 L CA -0.113 54.688 54.840 -0.066 0.000 0.884 392 L CB -0.045 41.989 42.059 -0.042 0.000 1.115 392 L HN 0.233 nan 8.230 nan 0.000 0.481 393 K N 1.963 122.310 120.400 -0.088 0.000 2.405 393 K HA 0.018 4.338 4.320 -0.000 0.000 0.276 393 K C 1.158 177.693 176.600 -0.108 0.000 1.099 393 K CA 1.052 57.261 56.287 -0.130 0.000 1.120 393 K CB 0.173 32.518 32.500 -0.258 0.000 0.877 393 K HN 0.366 nan 8.250 nan 0.000 0.472 394 G N 3.621 112.367 108.800 -0.091 0.000 2.189 394 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.267 394 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.267 394 G C 0.108 174.974 174.900 -0.057 0.000 0.975 394 G CA 0.121 45.178 45.100 -0.071 0.000 0.644 394 G HN 0.518 nan 8.290 nan 0.000 0.537 395 R N 1.138 121.602 120.500 -0.060 0.000 2.441 395 R HA 0.542 4.882 4.340 -0.000 0.000 0.284 395 R C 1.100 177.370 176.300 -0.050 0.000 1.070 395 R CA 0.310 56.380 56.100 -0.052 0.000 1.047 395 R CB 0.862 31.129 30.300 -0.055 0.000 1.016 395 R HN 0.587 nan 8.270 nan 0.000 0.477 396 S N 1.531 117.206 115.700 -0.042 0.000 2.617 396 S HA 0.133 4.603 4.470 -0.000 0.000 0.255 396 S C 1.741 176.305 174.600 -0.060 0.000 1.318 396 S CA -0.693 57.483 58.200 -0.040 0.000 0.978 396 S CB 0.422 63.607 63.200 -0.024 0.000 0.961 396 S HN 0.556 nan 8.310 nan 0.000 0.582 397 L N 0.681 121.866 121.223 -0.063 0.000 2.093 397 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 397 L C 2.979 179.781 176.870 -0.114 0.000 1.085 397 L CA 1.808 56.578 54.840 -0.117 0.000 0.755 397 L CB -0.730 41.267 42.059 -0.103 0.000 0.904 397 L HN 0.806 nan 8.230 nan 0.000 0.435 398 R N 0.410 120.878 120.500 -0.053 0.000 2.115 398 R HA -0.123 4.217 4.340 -0.000 0.000 0.226 398 R C 1.733 178.008 176.300 -0.041 0.000 1.100 398 R CA 1.154 57.234 56.100 -0.033 0.000 0.980 398 R CB -0.419 29.886 30.300 0.008 0.000 0.875 398 R HN 0.378 nan 8.270 nan 0.000 0.445 399 E N 0.924 121.099 120.200 -0.042 0.000 2.072 399 E HA -0.113 4.237 4.350 -0.000 0.000 0.191 399 E C 2.180 178.748 176.600 -0.053 0.000 0.985 399 E CA 1.133 57.509 56.400 -0.039 0.000 0.801 399 E CB 0.014 29.694 29.700 -0.035 0.000 0.750 399 E HN 0.391 nan 8.360 nan 0.000 0.452 400 R N 0.703 121.157 120.500 -0.077 0.000 2.070 400 R HA -0.083 4.257 4.340 -0.000 0.000 0.233 400 R C 2.424 178.663 176.300 -0.101 0.000 1.137 400 R CA 1.275 57.320 56.100 -0.091 0.000 0.945 400 R CB -0.386 29.841 30.300 -0.122 0.000 0.845 400 R HN 0.095 nan 8.270 nan 0.000 0.430 401 A N 0.917 123.655 122.820 -0.136 0.000 1.908 401 A HA -0.266 4.054 4.320 -0.000 0.000 0.218 401 A C 2.156 179.703 177.584 -0.061 0.000 1.181 401 A CA 1.641 53.599 52.037 -0.131 0.000 0.627 401 A CB -0.493 18.407 19.000 -0.166 0.000 0.818 401 A HN 0.258 nan 8.150 nan 0.000 0.445 402 Q N 0.031 119.805 119.800 -0.043 0.000 2.020 402 Q HA -0.064 4.276 4.340 -0.000 0.000 0.202 402 Q C 2.076 178.065 176.000 -0.018 0.000 0.982 402 Q CA 2.513 58.303 55.803 -0.020 0.000 0.838 402 Q CB -0.724 28.005 28.738 -0.015 0.000 0.899 402 Q HN 0.534 nan 8.270 nan 0.000 0.423 403 A N 0.149 122.955 122.820 -0.023 0.000 1.933 403 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 403 A C 2.192 179.772 177.584 -0.008 0.000 1.175 403 A CA 1.443 53.472 52.037 -0.013 0.000 0.628 403 A CB -0.770 18.221 19.000 -0.015 0.000 0.814 403 A HN 0.465 nan 8.150 nan 0.000 0.444 404 L N -0.046 121.166 121.223 -0.018 0.000 2.027 404 L HA -0.163 4.177 4.340 -0.000 0.000 0.206 404 L C 2.592 179.466 176.870 0.006 0.000 1.074 404 L CA 1.693 56.528 54.840 -0.008 0.000 0.745 404 L CB -0.623 41.419 42.059 -0.029 0.000 0.898 404 L HN 0.675 nan 8.230 nan 0.000 0.433 405 I N -2.783 117.789 120.570 0.002 0.000 2.700 405 I HA -0.194 3.976 4.170 -0.000 0.000 0.261 405 I C 1.723 177.842 176.117 0.004 0.000 1.219 405 I CA 1.266 62.575 61.300 0.015 0.000 1.463 405 I CB -0.504 37.508 38.000 0.020 0.000 1.092 405 I HN 0.261 nan 8.210 nan 0.000 0.452 406 N N 2.044 120.743 118.700 -0.001 0.000 2.457 406 N HA 0.025 4.765 4.740 -0.000 0.000 0.180 406 N C 1.730 177.239 175.510 -0.001 0.000 1.050 406 N CA 1.511 54.556 53.050 -0.010 0.000 0.906 406 N CB 0.114 38.598 38.487 -0.004 0.000 0.968 406 N HN 0.733 nan 8.380 nan 0.000 0.445 407 I N -3.323 117.263 120.570 0.028 0.000 4.082 407 I HA 0.441 4.611 4.170 -0.000 0.000 0.337 407 I C 0.469 176.671 176.117 0.142 0.000 1.352 407 I CA -0.490 60.864 61.300 0.090 0.000 1.097 407 I CB 0.261 38.300 38.000 0.065 0.000 1.048 407 I HN -0.243 nan 8.210 nan 0.000 0.393 408 A N 1.441 124.301 122.820 0.067 0.000 2.304 408 A HA 0.233 4.553 4.320 -0.000 0.000 0.271 408 A C -0.057 177.550 177.584 0.038 0.000 1.091 408 A CA -0.284 51.820 52.037 0.112 0.000 0.812 408 A CB -0.022 19.037 19.000 0.098 0.000 1.056 408 A HN 0.483 nan 8.150 nan 0.000 0.489 409 H N 2.891 122.026 119.070 0.108 0.000 2.964 409 H HA 0.042 4.598 4.556 -0.000 0.000 0.328 409 H C -1.386 173.886 175.328 -0.093 0.000 1.030 409 H CA -0.884 55.154 56.048 -0.017 0.000 1.445 409 H CB 1.095 31.059 29.762 0.337 0.000 1.449 409 H HN 0.368 nan 8.280 nan 0.000 0.581 410 P HA -0.174 nan 4.420 nan 0.000 0.220 410 P C 0.592 177.877 177.300 -0.027 0.000 1.144 410 P CA 1.061 64.035 63.100 -0.211 0.000 0.800 410 P CB 0.403 31.903 31.700 -0.334 0.000 0.772 411 D N -1.356 119.130 120.400 0.144 0.000 2.371 411 D HA -0.028 4.612 4.640 -0.000 0.000 0.221 411 D C 1.010 176.999 176.300 -0.518 0.000 0.986 411 D CA 0.801 54.652 54.000 -0.250 0.000 0.899 411 D CB -0.429 40.061 40.800 -0.517 0.000 0.902 411 D HN 0.346 nan 8.370 nan 0.000 0.530 412 F N -1.024 118.974 119.950 0.080 0.000 2.746 412 F HA 0.263 4.790 4.527 -0.000 0.000 0.320 412 F C 1.921 177.739 175.800 0.029 0.000 1.097 412 F CA -0.596 57.431 58.000 0.044 0.000 1.195 412 F CB 0.359 39.386 39.000 0.045 0.000 1.056 412 F HN -0.312 nan 8.300 nan 0.000 0.562 413 R N 1.435 122.021 120.500 0.143 0.000 2.094 413 R HA -0.216 4.124 4.340 -0.000 0.000 0.239 413 R C 2.313 178.657 176.300 0.073 0.000 1.137 413 R CA 2.060 58.207 56.100 0.078 0.000 0.943 413 R CB -0.706 29.600 30.300 0.011 0.000 0.850 413 R HN 0.441 nan 8.270 nan 0.000 0.433 414 E N 0.017 120.249 120.200 0.053 0.000 2.049 414 E HA -0.296 4.054 4.350 -0.000 0.000 0.198 414 E C 1.728 178.374 176.600 0.077 0.000 1.007 414 E CA 1.404 57.833 56.400 0.048 0.000 0.809 414 E CB -0.037 29.679 29.700 0.026 0.000 0.749 414 E HN 0.268 nan 8.360 nan 0.000 0.450 415 Q N 0.527 120.389 119.800 0.103 0.000 2.030 415 Q HA -0.136 4.204 4.340 -0.000 0.000 0.204 415 Q C 2.605 178.681 176.000 0.127 0.000 0.986 415 Q CA 1.339 57.215 55.803 0.121 0.000 0.843 415 Q CB -0.475 28.361 28.738 0.164 0.000 0.904 415 Q HN 0.434 nan 8.270 nan 0.000 0.420 416 L N 0.060 121.365 121.223 0.138 0.000 2.012 416 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 416 L C 2.655 179.594 176.870 0.115 0.000 1.073 416 L CA 1.518 56.432 54.840 0.122 0.000 0.748 416 L CB -0.706 41.417 42.059 0.107 0.000 0.891 416 L HN 0.208 nan 8.230 nan 0.000 0.431 417 S N -0.417 115.341 115.700 0.097 0.000 2.383 417 S HA -0.212 4.258 4.470 -0.000 0.000 0.229 417 S C 2.113 176.787 174.600 0.123 0.000 1.030 417 S CA 1.331 59.585 58.200 0.091 0.000 1.002 417 S CB -0.082 63.154 63.200 0.061 0.000 0.829 417 S HN 0.294 nan 8.310 nan 0.000 0.467 418 R N 0.676 121.250 120.500 0.122 0.000 2.070 418 R HA -0.049 4.291 4.340 -0.000 0.000 0.232 418 R C 1.867 178.278 176.300 0.185 0.000 1.138 418 R CA 1.833 58.021 56.100 0.146 0.000 0.936 418 R CB -0.412 29.957 30.300 0.115 0.000 0.839 418 R HN 0.435 nan 8.270 nan 0.000 0.429 419 D N 0.279 120.775 120.400 0.160 0.000 2.351 419 D HA -0.104 4.536 4.640 -0.000 0.000 0.216 419 D C 1.482 177.938 176.300 0.261 0.000 0.968 419 D CA 0.965 55.065 54.000 0.167 0.000 0.899 419 D CB -0.037 40.855 40.800 0.153 0.000 0.907 419 D HN 0.306 nan 8.370 nan 0.000 0.514 420 A N -0.020 122.957 122.820 0.260 0.000 1.969 420 A HA -0.132 4.188 4.320 -0.000 0.000 0.218 420 A C 1.861 179.638 177.584 0.322 0.000 1.169 420 A CA 0.790 52.996 52.037 0.282 0.000 0.635 420 A CB -0.450 18.653 19.000 0.172 0.000 0.810 420 A HN 0.290 nan 8.150 nan 0.000 0.445 421 F N -0.239 119.791 119.950 0.133 0.000 2.500 421 F HA 0.242 4.769 4.527 -0.000 0.000 0.285 421 F C 1.876 177.726 175.800 0.082 0.000 1.088 421 F CA 0.927 58.988 58.000 0.101 0.000 1.432 421 F CB 0.100 39.139 39.000 0.065 0.000 1.131 421 F HN 0.225 nan 8.300 nan 0.000 0.582 422 E N -0.223 119.954 120.200 -0.039 0.000 2.208 422 E HA -0.068 4.282 4.350 -0.000 0.000 0.193 422 E C 1.982 178.476 176.600 -0.175 0.000 0.988 422 E CA 1.204 57.504 56.400 -0.166 0.000 0.828 422 E CB 0.199 29.909 29.700 0.017 0.000 0.763 422 E HN 0.313 nan 8.360 nan 0.000 0.478 423 V N -1.214 118.638 119.914 -0.103 0.000 2.788 423 V HA -0.039 4.081 4.120 -0.000 0.000 0.241 423 V C 1.122 177.006 176.094 -0.351 0.000 1.083 423 V CA 0.752 62.913 62.300 -0.231 0.000 1.103 423 V CB -0.169 31.510 31.823 -0.240 0.000 0.800 423 V HN 0.326 nan 8.190 nan 0.000 0.476 424 W N 0.355 121.615 121.300 -0.067 0.000 3.114 424 W HA 0.497 5.157 4.660 -0.000 0.000 0.279 424 W C 1.771 178.245 176.519 -0.076 0.000 1.277 424 W CA 0.637 57.953 57.345 -0.049 0.000 1.630 424 W CB -0.087 29.367 29.460 -0.010 0.000 1.087 424 W HN 0.342 nan 8.180 nan 0.000 0.637 425 G N 1.368 110.172 108.800 0.007 0.000 2.221 425 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.265 425 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.265 425 G C -0.284 174.683 174.900 0.112 0.000 1.041 425 G CA -0.130 44.901 45.100 -0.115 0.000 0.807 425 G HN 0.179 nan 8.290 nan 0.000 0.502 426 L N 0.021 121.382 121.223 0.229 0.000 2.325 426 L HA 0.575 4.915 4.340 -0.000 0.000 0.278 426 L C 0.085 177.149 176.870 0.323 0.000 1.023 426 L CA -1.164 53.817 54.840 0.235 0.000 0.811 426 L CB 1.739 43.896 42.059 0.164 0.000 1.249 426 L HN 0.380 nan 8.230 nan 0.000 0.431 427 N N 2.857 121.691 118.700 0.223 0.000 2.518 427 N HA 0.547 5.287 4.740 -0.000 0.000 0.254 427 N C -0.868 174.680 175.510 0.064 0.000 0.979 427 N CA -0.692 52.441 53.050 0.139 0.000 0.930 427 N CB 1.046 39.583 38.487 0.083 0.000 1.152 427 N HN 0.427 nan 8.380 nan 0.000 0.505 428 L N 0.000 121.250 121.223 0.046 0.000 2.949 428 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 428 L CA 0.000 54.853 54.840 0.022 0.000 0.813 428 L CB 0.000 42.073 42.059 0.023 0.000 0.961 428 L HN 0.000 nan 8.230 nan 0.000 0.502