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 2bra_1_A DATA FIRST_RESID 8 DATA SEQUENCE NPAHDHFETF VQAQLCQDVL SSFQGLCRAL GVESGGGLSQ YHKIKAQLNY DATA SEQUENCE WSAKSLWAKL DKRASQPVYQ QGQACTNTKC LVVGAGPCGL RAAVELALLG DATA SEQUENCE ARVVLVEKRI KFSRHNVLHL WPFTIHDLRA LGAAAFYGRX XXXTLDHISI DATA SEQUENCE RQLQLLLLKV ALLLGVEIHW GVKFTGLQPP PRKGSGWRAQ LQPNPPAQLA DATA SEQUENCE SYEFDVLISA AGGKFVPEGF TIREMRGKLA IGITANFVNG RTVEETQVPE DATA SEQUENCE ISGVARIYNQ KFFQSLLKAT GIDLENIVYY KDETHYFVMT AKKQCLLRLG DATA SEQUENCE VLRQDLSETD QLLGKANVVP EALQRFARAA ADFATHGKLG KLEFAQDARG DATA SEQUENCE RPDVAAFDFT SMMRAESSAR VQEKHGARLL LGLVGDCLVE PFWPLGTGVA DATA SEQUENCE RGFLAAFDAA WMVKRWAEGA GPLEVLAERE SLYQLLSQTS PENMHRNVAQ DATA SEQUENCE YGLDPATRYP NLNLRAVTPN QVQDLYD 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 8 N HA 0.000 nan 4.740 nan 0.000 0.220 8 N C 0.000 175.449 175.510 -0.101 0.000 1.280 8 N CA 0.000 52.989 53.050 -0.101 0.000 0.885 8 N CB 0.000 38.347 38.487 -0.233 0.000 1.341 9 P HA 0.116 nan 4.420 nan 0.000 0.231 9 P C 0.860 178.157 177.300 -0.004 0.000 1.168 9 P CA 0.519 63.563 63.100 -0.093 0.000 0.779 9 P CB 0.425 32.088 31.700 -0.062 0.000 0.844 10 A N 0.248 123.057 122.820 -0.019 0.000 1.874 10 A HA -0.154 4.164 4.320 -0.002 0.000 0.214 10 A C 2.075 179.760 177.584 0.168 0.000 1.189 10 A CA 1.160 53.240 52.037 0.072 0.000 0.615 10 A CB -1.874 17.085 19.000 -0.069 0.000 0.830 10 A HN 0.203 nan 8.150 nan 0.000 0.443 11 H N -0.990 118.065 119.070 -0.024 0.000 2.353 11 H HA -0.182 4.373 4.556 -0.002 0.000 0.298 11 H C 1.905 177.343 175.328 0.183 0.000 1.103 11 H CA 1.089 57.136 56.048 -0.001 0.000 1.293 11 H CB 0.051 29.652 29.762 -0.267 0.000 1.372 11 H HN 0.463 nan 8.280 nan 0.000 0.501 12 D N -0.098 120.413 120.400 0.184 0.000 2.097 12 D HA -0.152 4.487 4.640 -0.002 0.000 0.195 12 D C 2.070 178.435 176.300 0.108 0.000 0.989 12 D CA 1.078 55.133 54.000 0.092 0.000 0.827 12 D CB -0.209 40.555 40.800 -0.060 0.000 0.966 12 D HN 0.455 nan 8.370 nan 0.000 0.456 13 H N -0.833 118.350 119.070 0.188 0.000 2.352 13 H HA -0.140 4.414 4.556 -0.002 0.000 0.299 13 H C 2.047 177.567 175.328 0.320 0.000 1.097 13 H CA 1.121 57.289 56.048 0.200 0.000 1.311 13 H CB -0.687 29.156 29.762 0.134 0.000 1.377 13 H HN 0.259 nan 8.280 nan 0.000 0.504 14 F N 1.985 122.162 119.950 0.378 0.000 2.113 14 F HA -0.124 4.402 4.527 -0.002 0.000 0.297 14 F C 2.294 178.355 175.800 0.434 0.000 1.103 14 F CA 1.333 59.601 58.000 0.447 0.000 1.248 14 F CB -0.201 39.073 39.000 0.457 0.000 0.999 14 F HN 0.034 nan 8.300 nan 0.000 0.475 15 E N -0.410 119.950 120.200 0.267 0.000 2.097 15 E HA -0.222 4.126 4.350 -0.002 0.000 0.196 15 E C 2.083 178.716 176.600 0.054 0.000 1.000 15 E CA 2.153 58.607 56.400 0.089 0.000 0.804 15 E CB -0.397 29.413 29.700 0.183 0.000 0.740 15 E HN 0.408 nan 8.360 nan 0.000 0.454 16 T N 0.670 115.307 114.554 0.139 0.000 2.777 16 T HA -0.148 4.201 4.350 -0.002 0.000 0.266 16 T C 1.484 176.275 174.700 0.150 0.000 1.040 16 T CA 1.071 63.249 62.100 0.130 0.000 1.141 16 T CB -0.347 68.613 68.868 0.153 0.000 0.868 16 T HN 0.209 nan 8.240 nan 0.000 0.444 17 F N 2.182 122.175 119.950 0.072 0.000 2.075 17 F HA -0.115 4.410 4.527 -0.002 0.000 0.297 17 F C 2.221 178.044 175.800 0.038 0.000 1.113 17 F CA 0.824 58.881 58.000 0.095 0.000 1.218 17 F CB -0.861 38.270 39.000 0.219 0.000 0.984 17 F HN -0.105 nan 8.300 nan 0.000 0.472 18 V N 0.893 120.651 119.914 -0.260 0.000 2.282 18 V HA -0.358 3.760 4.120 -0.002 0.000 0.249 18 V C 2.244 178.260 176.094 -0.131 0.000 1.057 18 V CA 2.550 64.688 62.300 -0.269 0.000 1.032 18 V CB -0.798 30.798 31.823 -0.378 0.000 0.645 18 V HN 0.492 nan 8.190 nan 0.000 0.447 19 Q N -0.459 119.285 119.800 -0.094 0.000 2.451 19 Q HA 0.232 4.571 4.340 -0.002 0.000 0.206 19 Q C 0.915 176.901 176.000 -0.022 0.000 0.947 19 Q CA 0.347 56.127 55.803 -0.037 0.000 0.937 19 Q CB -0.027 28.700 28.738 -0.018 0.000 1.025 19 Q HN 0.664 nan 8.270 nan 0.000 0.511 20 A N 0.970 123.759 122.820 -0.052 0.000 2.445 20 A HA 0.029 4.347 4.320 -0.002 0.000 0.242 20 A C 0.693 178.256 177.584 -0.035 0.000 1.075 20 A CA 0.156 52.173 52.037 -0.032 0.000 0.777 20 A CB 0.452 19.437 19.000 -0.025 0.000 1.013 20 A HN 0.124 nan 8.150 nan 0.000 0.493 21 Q N 0.412 120.203 119.800 -0.015 0.000 2.127 21 Q HA 0.358 4.697 4.340 -0.002 0.000 0.222 21 Q C -1.026 174.969 176.000 -0.010 0.000 0.794 21 Q CA 0.377 56.178 55.803 -0.003 0.000 1.010 21 Q CB 0.595 29.348 28.738 0.024 0.000 1.170 21 Q HN 0.709 nan 8.270 nan 0.000 0.479 22 L N -0.730 120.470 121.223 -0.038 0.000 2.422 22 L HA 0.339 4.678 4.340 -0.002 0.000 0.264 22 L C 1.055 177.829 176.870 -0.160 0.000 0.984 22 L CA -0.578 54.214 54.840 -0.080 0.000 0.819 22 L CB 2.138 44.151 42.059 -0.077 0.000 1.330 22 L HN -0.000 nan 8.230 nan 0.000 0.410 23 C N 0.965 120.079 119.300 -0.310 0.000 2.432 23 C HA -0.132 4.326 4.460 -0.002 0.000 0.277 23 C C 2.499 177.191 174.990 -0.496 0.000 1.249 23 C CA 0.984 59.659 59.018 -0.573 0.000 1.725 23 C CB -0.379 26.670 27.740 -1.151 0.000 2.028 23 C HN 0.883 nan 8.230 nan 0.000 0.477 24 Q N 0.557 120.112 119.800 -0.409 0.000 2.135 24 Q HA -0.156 4.183 4.340 -0.002 0.000 0.204 24 Q C 1.709 177.610 176.000 -0.166 0.000 0.981 24 Q CA 1.871 57.489 55.803 -0.308 0.000 0.856 24 Q CB -0.668 27.925 28.738 -0.242 0.000 0.902 24 Q HN 0.703 nan 8.270 nan 0.000 0.425 25 D N 0.006 120.340 120.400 -0.111 0.000 2.144 25 D HA -0.086 4.552 4.640 -0.002 0.000 0.200 25 D C 2.096 178.416 176.300 0.033 0.000 0.978 25 D CA 0.574 54.558 54.000 -0.027 0.000 0.833 25 D CB -0.079 40.711 40.800 -0.018 0.000 0.961 25 D HN 0.019 nan 8.370 nan 0.000 0.470 26 V N 0.976 120.889 119.914 -0.002 0.000 2.287 26 V HA -0.227 3.891 4.120 -0.002 0.000 0.248 26 V C 2.584 178.800 176.094 0.204 0.000 1.053 26 V CA 1.257 63.624 62.300 0.112 0.000 1.027 26 V CB -0.500 31.334 31.823 0.018 0.000 0.646 26 V HN 0.213 nan 8.190 nan 0.000 0.447 27 L N 0.684 121.922 121.223 0.025 0.000 2.056 27 L HA -0.131 4.207 4.340 -0.002 0.000 0.207 27 L C 2.750 179.678 176.870 0.096 0.000 1.078 27 L CA 1.802 56.670 54.840 0.047 0.000 0.749 27 L CB -0.774 41.195 42.059 -0.150 0.000 0.901 27 L HN 0.549 nan 8.230 nan 0.000 0.433 28 S N -0.475 115.253 115.700 0.046 0.000 2.368 28 S HA -0.163 4.305 4.470 -0.002 0.000 0.224 28 S C 2.161 176.816 174.600 0.091 0.000 1.029 28 S CA 1.074 59.302 58.200 0.047 0.000 0.988 28 S CB -0.680 62.535 63.200 0.026 0.000 0.838 28 S HN 0.511 nan 8.310 nan 0.000 0.462 29 S N 1.226 117.031 115.700 0.175 0.000 2.399 29 S HA -0.042 4.427 4.470 -0.002 0.000 0.231 29 S C 1.580 176.291 174.600 0.185 0.000 1.022 29 S CA 0.867 59.215 58.200 0.247 0.000 0.983 29 S CB -0.951 62.454 63.200 0.342 0.000 0.803 29 S HN 0.514 nan 8.310 nan 0.000 0.480 30 F N 3.075 123.057 119.950 0.055 0.000 2.206 30 F HA 0.018 4.543 4.527 -0.003 0.000 0.298 30 F C 2.612 178.324 175.800 -0.146 0.000 1.090 30 F CA 1.339 59.244 58.000 -0.158 0.000 1.323 30 F CB -0.585 38.291 39.000 -0.206 0.000 1.028 30 F HN 0.353 nan 8.300 nan 0.000 0.492 31 Q N 0.157 119.927 119.800 -0.051 0.000 2.079 31 Q HA -0.021 4.317 4.340 -0.002 0.000 0.200 31 Q C 2.319 178.142 176.000 -0.294 0.000 0.974 31 Q CA 2.023 57.723 55.803 -0.170 0.000 0.840 31 Q CB -1.197 27.516 28.738 -0.042 0.000 0.898 31 Q HN 0.346 nan 8.270 nan 0.000 0.430 32 G N 1.132 109.727 108.800 -0.342 0.000 2.418 32 G HA2 -0.245 3.714 3.960 -0.002 0.000 0.217 32 G HA3 -0.245 3.714 3.960 -0.002 0.000 0.217 32 G C 1.360 175.755 174.900 -0.841 0.000 1.158 32 G CA 0.845 45.529 45.100 -0.693 0.000 0.771 32 G HN 0.362 nan 8.290 nan 0.000 0.545 33 L N 0.755 121.630 121.223 -0.580 0.000 1.989 33 L HA -0.100 4.238 4.340 -0.002 0.000 0.211 33 L C 2.905 179.557 176.870 -0.364 0.000 1.071 33 L CA 1.793 56.443 54.840 -0.316 0.000 0.749 33 L CB -0.873 41.072 42.059 -0.190 0.000 0.890 33 L HN 0.280 nan 8.230 nan 0.000 0.431 34 C N -0.560 118.425 119.300 -0.524 0.000 2.413 34 C HA -0.161 4.297 4.460 -0.002 0.000 0.276 34 C C 2.800 177.631 174.990 -0.263 0.000 1.248 34 C CA 0.951 59.714 59.018 -0.425 0.000 1.742 34 C CB -1.082 26.368 27.740 -0.484 0.000 2.017 34 C HN 0.501 nan 8.230 nan 0.000 0.481 35 R N 0.947 121.296 120.500 -0.252 0.000 2.080 35 R HA -0.143 4.195 4.340 -0.002 0.000 0.236 35 R C 2.416 178.632 176.300 -0.139 0.000 1.137 35 R CA 1.770 57.766 56.100 -0.175 0.000 0.943 35 R CB -0.638 29.563 30.300 -0.166 0.000 0.846 35 R HN 0.549 nan 8.270 nan 0.000 0.431 36 A N 0.820 123.551 122.820 -0.148 0.000 2.019 36 A HA -0.098 4.220 4.320 -0.002 0.000 0.219 36 A C 1.937 179.470 177.584 -0.086 0.000 1.164 36 A CA 1.185 53.176 52.037 -0.077 0.000 0.644 36 A CB -0.280 18.721 19.000 0.001 0.000 0.805 36 A HN 0.216 nan 8.150 nan 0.000 0.449 37 L N -1.376 119.777 121.223 -0.117 0.000 2.607 37 L HA 0.236 4.574 4.340 -0.002 0.000 0.228 37 L C 1.467 178.272 176.870 -0.109 0.000 1.123 37 L CA 0.363 55.136 54.840 -0.113 0.000 0.890 37 L CB -0.117 41.865 42.059 -0.128 0.000 1.103 37 L HN 0.536 nan 8.230 nan 0.000 0.468 38 G N 1.582 110.318 108.800 -0.107 0.000 2.249 38 G HA2 -0.245 3.713 3.960 -0.002 0.000 0.273 38 G HA3 -0.245 3.713 3.960 -0.002 0.000 0.273 38 G C 0.123 174.968 174.900 -0.093 0.000 1.036 38 G CA 0.494 45.540 45.100 -0.091 0.000 0.824 38 G HN 0.309 nan 8.290 nan 0.000 0.504 39 V N -4.409 115.435 119.914 -0.118 0.000 3.019 39 V HA 0.958 5.077 4.120 -0.002 0.000 0.317 39 V C -0.203 175.828 176.094 -0.106 0.000 1.094 39 V CA -1.534 60.702 62.300 -0.106 0.000 1.000 39 V CB 2.234 33.987 31.823 -0.116 0.000 1.060 39 V HN 0.132 nan 8.190 nan 0.000 0.443 40 E N 2.054 122.212 120.200 -0.070 0.000 2.191 40 E HA 0.431 4.779 4.350 -0.002 0.000 0.278 40 E C 0.110 176.693 176.600 -0.028 0.000 0.972 40 E CA -0.143 56.226 56.400 -0.051 0.000 0.804 40 E CB 1.772 31.458 29.700 -0.022 0.000 1.110 40 E HN 1.020 nan 8.360 nan 0.000 0.394 41 S N 0.368 116.062 115.700 -0.010 0.000 2.596 41 S HA 0.350 4.819 4.470 -0.002 0.000 0.260 41 S C 1.170 175.822 174.600 0.087 0.000 1.336 41 S CA 0.038 58.307 58.200 0.115 0.000 0.993 41 S CB 0.603 63.931 63.200 0.212 0.000 0.923 41 S HN 0.836 nan 8.310 nan 0.000 0.567 42 G N 0.085 108.951 108.800 0.110 0.000 2.203 42 G HA2 -0.153 3.805 3.960 -0.002 0.000 0.263 42 G HA3 -0.153 3.805 3.960 -0.002 0.000 0.263 42 G C 0.593 175.513 174.900 0.033 0.000 1.012 42 G CA 0.192 45.317 45.100 0.041 0.000 0.749 42 G HN 1.601 nan 8.290 nan 0.000 0.512 43 G N -0.452 108.374 108.800 0.043 0.000 3.518 43 G HA2 0.592 4.551 3.960 -0.002 0.000 0.273 43 G HA3 0.592 4.551 3.960 -0.002 0.000 0.273 43 G C 1.362 176.266 174.900 0.006 0.000 1.199 43 G CA 1.237 46.349 45.100 0.021 0.000 0.899 43 G HN 1.882 nan 8.290 nan 0.000 0.533 44 G N 0.204 109.009 108.800 0.008 0.000 2.575 44 G HA2 -0.311 3.647 3.960 -0.002 0.000 0.267 44 G HA3 -0.311 3.647 3.960 -0.002 0.000 0.267 44 G C 1.023 175.892 174.900 -0.051 0.000 1.264 44 G CA 0.069 45.160 45.100 -0.015 0.000 0.935 44 G HN 0.433 nan 8.290 nan 0.000 0.568 45 L N 0.498 121.657 121.223 -0.107 0.000 2.291 45 L HA 0.007 4.346 4.340 -0.002 0.000 0.214 45 L C 3.143 179.707 176.870 -0.509 0.000 1.120 45 L CA 1.669 56.368 54.840 -0.236 0.000 0.799 45 L CB -0.482 41.445 42.059 -0.220 0.000 0.925 45 L HN 0.634 nan 8.230 nan 0.000 0.446 46 S N -0.415 115.106 115.700 -0.298 0.000 2.368 46 S HA -0.249 4.220 4.470 -0.002 0.000 0.224 46 S C 1.974 176.481 174.600 -0.156 0.000 1.029 46 S CA 1.351 59.412 58.200 -0.233 0.000 0.988 46 S CB -0.057 63.098 63.200 -0.074 0.000 0.838 46 S HN 0.445 nan 8.310 nan 0.000 0.462 47 Q N -0.793 118.958 119.800 -0.083 0.000 2.061 47 Q HA -0.227 4.112 4.340 -0.002 0.000 0.204 47 Q C 1.973 177.963 176.000 -0.016 0.000 0.984 47 Q CA 2.074 57.861 55.803 -0.027 0.000 0.846 47 Q CB -0.452 28.310 28.738 0.041 0.000 0.902 47 Q HN 0.770 nan 8.270 nan 0.000 0.421 48 Y N 0.772 120.996 120.300 -0.126 0.000 2.128 48 Y HA -0.289 4.260 4.550 -0.003 0.000 0.284 48 Y C 1.846 177.696 175.900 -0.083 0.000 1.154 48 Y CA 2.448 60.495 58.100 -0.088 0.000 1.149 48 Y CB -0.712 37.705 38.460 -0.072 0.000 0.976 48 Y HN 0.342 nan 8.280 nan 0.000 0.505 49 H N -0.734 118.154 119.070 -0.304 0.000 2.353 49 H HA -0.132 4.422 4.556 -0.003 0.000 0.300 49 H C 2.146 177.240 175.328 -0.389 0.000 1.090 49 H CA 1.340 57.140 56.048 -0.413 0.000 1.327 49 H CB -0.038 29.617 29.762 -0.178 0.000 1.383 49 H HN 0.240 nan 8.280 nan 0.000 0.508 50 K N 0.555 120.870 120.400 -0.143 0.000 2.097 50 K HA -0.057 4.261 4.320 -0.002 0.000 0.205 50 K C 2.094 178.554 176.600 -0.232 0.000 1.050 50 K CA 0.833 57.024 56.287 -0.160 0.000 0.938 50 K CB 0.113 32.549 32.500 -0.107 0.000 0.718 50 K HN 0.237 nan 8.250 nan 0.000 0.442 51 I N 1.660 122.071 120.570 -0.266 0.000 2.163 51 I HA -0.327 3.842 4.170 -0.002 0.000 0.240 51 I C 2.448 178.264 176.117 -0.502 0.000 1.081 51 I CA 1.371 62.502 61.300 -0.282 0.000 1.353 51 I CB -0.370 37.541 38.000 -0.148 0.000 1.054 51 I HN 0.202 nan 8.210 nan 0.000 0.407 52 K N 2.047 121.898 120.400 -0.915 0.000 2.103 52 K HA -0.170 4.148 4.320 -0.002 0.000 0.207 52 K C 2.042 178.189 176.600 -0.756 0.000 1.048 52 K CA 1.699 57.127 56.287 -1.432 0.000 0.930 52 K CB -0.335 30.943 32.500 -2.036 0.000 0.716 52 K HN 0.260 nan 8.250 nan 0.000 0.444 53 A N 0.916 123.440 122.820 -0.493 0.000 2.067 53 A HA -0.136 4.183 4.320 -0.002 0.000 0.219 53 A C 1.921 179.376 177.584 -0.216 0.000 1.158 53 A CA 1.349 53.207 52.037 -0.298 0.000 0.661 53 A CB -0.308 18.558 19.000 -0.223 0.000 0.801 53 A HN 0.553 nan 8.150 nan 0.000 0.452 54 Q N -1.311 118.359 119.800 -0.216 0.000 2.319 54 Q HA 0.362 4.701 4.340 -0.002 0.000 0.202 54 Q C 0.241 176.195 176.000 -0.078 0.000 0.896 54 Q CA 0.203 55.921 55.803 -0.141 0.000 0.942 54 Q CB 0.222 28.877 28.738 -0.139 0.000 1.083 54 Q HN 0.587 nan 8.270 nan 0.000 0.510 55 L N 0.784 121.968 121.223 -0.065 0.000 3.291 55 L HA 0.288 4.627 4.340 -0.002 0.000 0.307 55 L C -0.247 176.818 176.870 0.324 0.000 1.303 55 L CA -0.419 54.522 54.840 0.169 0.000 0.949 55 L CB 0.494 42.643 42.059 0.150 0.000 1.375 55 L HN 0.008 nan 8.230 nan 0.000 0.596 56 N N 1.457 120.220 118.700 0.106 0.000 3.050 56 N HA -0.026 4.712 4.740 -0.002 0.000 0.289 56 N C -0.121 175.309 175.510 -0.133 0.000 1.209 56 N CA -0.083 52.986 53.050 0.033 0.000 1.154 56 N CB -0.133 38.304 38.487 -0.083 0.000 1.444 56 N HN 0.412 nan 8.380 nan 0.000 0.529 57 Y N 0.321 120.450 120.300 -0.284 0.000 2.629 57 Y HA 0.321 4.869 4.550 -0.002 0.000 0.282 57 Y C 0.065 175.903 175.900 -0.103 0.000 0.994 57 Y CA -0.963 56.849 58.100 -0.481 0.000 1.126 57 Y CB -0.389 37.846 38.460 -0.376 0.000 1.187 57 Y HN 0.061 nan 8.280 nan 0.000 0.600 58 W N -0.981 120.205 121.300 -0.190 0.000 0.422 58 W HA -0.426 4.232 4.660 -0.002 0.000 0.214 58 W C 2.501 178.839 176.519 -0.303 0.000 0.914 58 W CA 2.080 59.316 57.345 -0.182 0.000 0.329 58 W CB -2.039 27.367 29.460 -0.090 0.000 1.907 58 W HN 0.405 nan 8.180 nan 0.000 1.248 59 S N 1.142 116.693 115.700 -0.248 0.000 2.365 59 S HA -0.058 4.411 4.470 -0.002 0.000 0.225 59 S C 1.801 176.168 174.600 -0.388 0.000 1.039 59 S CA 3.562 61.552 58.200 -0.350 0.000 1.033 59 S CB -0.450 62.465 63.200 -0.474 0.000 0.887 59 S HN 0.598 nan 8.310 nan 0.000 0.447 60 A N 0.436 122.889 122.820 -0.613 0.000 2.178 60 A HA 0.255 4.573 4.320 -0.002 0.000 0.211 60 A C 2.077 179.263 177.584 -0.663 0.000 1.157 60 A CA 0.522 52.217 52.037 -0.570 0.000 0.780 60 A CB -0.333 18.313 19.000 -0.590 0.000 0.828 60 A HN 0.585 nan 8.150 nan 0.000 0.476 61 K N 0.590 120.793 120.400 -0.330 0.000 2.103 61 K HA -0.146 4.173 4.320 -0.002 0.000 0.207 61 K C 2.256 178.783 176.600 -0.121 0.000 1.048 61 K CA 1.749 57.966 56.287 -0.116 0.000 0.930 61 K CB -0.106 32.414 32.500 0.034 0.000 0.716 61 K HN 0.675 nan 8.250 nan 0.000 0.444 62 S N 0.965 116.566 115.700 -0.166 0.000 2.446 62 S HA -0.022 4.446 4.470 -0.002 0.000 0.225 62 S C 1.954 176.468 174.600 -0.144 0.000 1.016 62 S CA 0.098 58.235 58.200 -0.106 0.000 0.943 62 S CB -0.332 62.812 63.200 -0.093 0.000 0.786 62 S HN 0.219 nan 8.310 nan 0.000 0.508 63 L N 0.374 121.418 121.223 -0.299 0.000 1.978 63 L HA -0.165 4.174 4.340 -0.002 0.000 0.218 63 L C 2.435 179.257 176.870 -0.081 0.000 1.075 63 L CA 2.295 56.935 54.840 -0.333 0.000 0.767 63 L CB -0.531 41.149 42.059 -0.631 0.000 0.890 63 L HN 0.499 nan 8.230 nan 0.000 0.434 64 W N -0.832 120.541 121.300 0.120 0.000 2.402 64 W HA -0.100 4.559 4.660 -0.002 0.000 0.286 64 W C 2.578 179.177 176.519 0.134 0.000 1.221 64 W CA 0.225 57.673 57.345 0.172 0.000 1.257 64 W CB -0.460 29.052 29.460 0.087 0.000 1.120 64 W HN 0.246 nan 8.180 nan 0.000 0.551 65 A N 1.157 124.126 122.820 0.248 0.000 1.933 65 A HA -0.192 4.127 4.320 -0.002 0.000 0.218 65 A C 1.886 179.549 177.584 0.132 0.000 1.175 65 A CA 1.773 53.908 52.037 0.162 0.000 0.628 65 A CB -0.563 18.493 19.000 0.094 0.000 0.814 65 A HN 0.285 nan 8.150 nan 0.000 0.444 66 K N -0.475 119.986 120.400 0.102 0.000 2.031 66 K HA 0.076 4.394 4.320 -0.002 0.000 0.205 66 K C 1.868 178.533 176.600 0.109 0.000 1.049 66 K CA 1.210 57.542 56.287 0.074 0.000 0.939 66 K CB -0.331 32.183 32.500 0.024 0.000 0.717 66 K HN 0.426 nan 8.250 nan 0.000 0.438 67 L N 1.178 122.506 121.223 0.175 0.000 2.046 67 L HA -0.233 4.106 4.340 -0.002 0.000 0.208 67 L C 1.775 178.734 176.870 0.149 0.000 1.077 67 L CA 1.121 56.054 54.840 0.156 0.000 0.747 67 L CB -0.484 41.709 42.059 0.224 0.000 0.896 67 L HN 0.192 nan 8.230 nan 0.000 0.432 68 D N 0.089 120.651 120.400 0.269 0.000 2.123 68 D HA -0.228 4.410 4.640 -0.002 0.000 0.196 68 D C 2.077 178.459 176.300 0.136 0.000 0.992 68 D CA 1.220 55.352 54.000 0.221 0.000 0.833 68 D CB -0.130 40.802 40.800 0.220 0.000 0.954 68 D HN 0.226 nan 8.370 nan 0.000 0.455 69 K N 0.346 120.817 120.400 0.119 0.000 2.057 69 K HA -0.157 4.162 4.320 -0.002 0.000 0.207 69 K C 2.122 178.781 176.600 0.097 0.000 1.049 69 K CA 0.852 57.197 56.287 0.096 0.000 0.931 69 K CB 0.223 32.772 32.500 0.082 0.000 0.714 69 K HN -0.131 nan 8.250 nan 0.000 0.440 70 R N 0.410 120.957 120.500 0.078 0.000 2.070 70 R HA -0.040 4.299 4.340 -0.002 0.000 0.233 70 R C 2.248 178.577 176.300 0.048 0.000 1.137 70 R CA 1.578 57.719 56.100 0.067 0.000 0.945 70 R CB -1.063 29.238 30.300 0.001 0.000 0.845 70 R HN 0.352 nan 8.270 nan 0.000 0.430 71 A N 0.641 123.440 122.820 -0.035 0.000 2.024 71 A HA -0.151 4.168 4.320 -0.002 0.000 0.220 71 A C 1.980 179.621 177.584 0.096 0.000 1.164 71 A CA 2.042 54.024 52.037 -0.092 0.000 0.643 71 A CB -0.453 18.529 19.000 -0.031 0.000 0.806 71 A HN 0.488 nan 8.150 nan 0.000 0.451 72 S N -1.040 114.743 115.700 0.139 0.000 2.575 72 S HA 0.112 4.581 4.470 -0.002 0.000 0.215 72 S C 0.577 175.282 174.600 0.174 0.000 0.966 72 S CA -0.398 57.891 58.200 0.147 0.000 0.911 72 S CB -0.120 63.143 63.200 0.104 0.000 0.780 72 S HN 0.482 nan 8.310 nan 0.000 0.514 73 Q N 2.278 122.226 119.800 0.247 0.000 2.286 73 Q HA 0.133 4.471 4.340 -0.002 0.000 0.290 73 Q C -1.533 174.542 176.000 0.126 0.000 1.049 73 Q CA -1.119 54.796 55.803 0.187 0.000 0.923 73 Q CB 0.445 29.306 28.738 0.205 0.000 1.183 73 Q HN 0.174 nan 8.270 nan 0.000 0.383 74 P HA -0.234 nan 4.420 nan 0.000 0.217 74 P C 1.405 178.698 177.300 -0.012 0.000 1.162 74 P CA 1.016 64.134 63.100 0.030 0.000 0.901 74 P CB 0.063 31.773 31.700 0.017 0.000 0.793 75 V N -1.442 118.406 119.914 -0.110 0.000 2.428 75 V HA -0.287 3.831 4.120 -0.002 0.000 0.255 75 V C 1.814 177.771 176.094 -0.228 0.000 1.080 75 V CA 1.908 64.094 62.300 -0.189 0.000 1.083 75 V CB -1.166 30.484 31.823 -0.287 0.000 0.665 75 V HN 0.133 nan 8.190 nan 0.000 0.461 76 Y N -0.714 119.618 120.300 0.053 0.000 2.544 76 Y HA 0.155 4.704 4.550 -0.003 0.000 0.286 76 Y C 1.648 177.572 175.900 0.040 0.000 1.141 76 Y CA 0.441 58.566 58.100 0.042 0.000 1.299 76 Y CB -0.149 38.334 38.460 0.038 0.000 1.030 76 Y HN 0.304 nan 8.280 nan 0.000 0.543 77 Q N 0.812 120.695 119.800 0.138 0.000 2.457 77 Q HA -0.325 4.014 4.340 -0.002 0.000 0.283 77 Q C -0.478 175.592 176.000 0.117 0.000 1.234 77 Q CA 0.538 56.400 55.803 0.098 0.000 0.877 77 Q CB -1.145 27.633 28.738 0.066 0.000 1.250 77 Q HN 0.550 nan 8.270 nan 0.000 0.481 78 Q N -3.469 116.422 119.800 0.151 0.000 2.475 78 Q HA -0.286 4.052 4.340 -0.002 0.000 0.280 78 Q C 0.720 176.804 176.000 0.140 0.000 1.234 78 Q CA 1.835 57.719 55.803 0.136 0.000 0.873 78 Q CB -2.494 26.301 28.738 0.095 0.000 1.256 78 Q HN 1.204 nan 8.270 nan 0.000 0.475 79 G N -0.794 108.097 108.800 0.153 0.000 2.143 79 G HA2 -0.324 3.634 3.960 -0.002 0.000 0.249 79 G HA3 -0.324 3.634 3.960 -0.002 0.000 0.249 79 G C 0.575 175.536 174.900 0.101 0.000 0.981 79 G CA 0.558 45.730 45.100 0.119 0.000 0.665 79 G HN 0.304 nan 8.290 nan 0.000 0.528 80 Q N -0.777 119.082 119.800 0.099 0.000 2.317 80 Q HA 0.500 4.839 4.340 -0.002 0.000 0.220 80 Q C 2.657 178.693 176.000 0.061 0.000 0.873 80 Q CA 1.116 56.962 55.803 0.072 0.000 0.936 80 Q CB -0.055 28.719 28.738 0.059 0.000 1.105 80 Q HN 0.818 nan 8.270 nan 0.000 0.520 81 A N -0.061 122.802 122.820 0.071 0.000 1.908 81 A HA -0.161 4.158 4.320 -0.002 0.000 0.218 81 A C 1.567 179.176 177.584 0.042 0.000 1.181 81 A CA 1.506 53.570 52.037 0.044 0.000 0.627 81 A CB -0.270 18.757 19.000 0.044 0.000 0.818 81 A HN 0.400 nan 8.150 nan 0.000 0.445 82 C N -1.859 117.480 119.300 0.065 0.000 2.859 82 C HA 0.346 4.804 4.460 -0.002 0.000 0.256 82 C C 1.981 177.016 174.990 0.075 0.000 1.660 82 C CA 0.053 59.115 59.018 0.074 0.000 1.755 82 C CB -1.272 26.521 27.740 0.089 0.000 3.127 82 C HN 0.625 nan 8.230 nan 0.000 0.494 83 T N 1.923 116.515 114.554 0.062 0.000 2.915 83 T HA -0.123 4.226 4.350 -0.002 0.000 0.269 83 T C 1.655 176.392 174.700 0.061 0.000 1.071 83 T CA 2.095 64.230 62.100 0.059 0.000 1.132 83 T CB -0.348 68.551 68.868 0.051 0.000 0.878 83 T HN 0.876 nan 8.240 nan 0.000 0.479 84 N N -0.368 118.367 118.700 0.058 0.000 2.459 84 N HA -0.031 4.708 4.740 -0.002 0.000 0.181 84 N C 0.222 175.786 175.510 0.090 0.000 1.046 84 N CA 0.343 53.429 53.050 0.059 0.000 0.904 84 N CB -0.019 38.490 38.487 0.036 0.000 0.964 84 N HN 0.146 nan 8.380 nan 0.000 0.444 85 T N 0.847 115.468 114.554 0.111 0.000 2.829 85 T HA 0.295 4.644 4.350 -0.002 0.000 0.282 85 T C -0.473 174.318 174.700 0.153 0.000 0.990 85 T CA -0.539 61.653 62.100 0.153 0.000 1.028 85 T CB 1.742 70.710 68.868 0.167 0.000 0.951 85 T HN 0.064 nan 8.240 nan 0.000 0.460 86 K N 2.001 122.506 120.400 0.174 0.000 2.502 86 K HA 0.548 4.867 4.320 -0.002 0.000 0.254 86 K C -1.158 175.590 176.600 0.247 0.000 0.947 86 K CA -0.598 55.817 56.287 0.214 0.000 0.834 86 K CB 1.373 33.961 32.500 0.147 0.000 1.112 86 K HN 0.556 nan 8.250 nan 0.000 0.427 87 C N 2.821 122.269 119.300 0.247 0.000 2.435 87 C HA 0.563 5.021 4.460 -0.002 0.000 0.333 87 C C -0.615 174.423 174.990 0.081 0.000 1.202 87 C CA -0.931 58.158 59.018 0.118 0.000 1.830 87 C CB 0.500 28.262 27.740 0.038 0.000 2.326 87 C HN 0.705 nan 8.230 nan 0.000 0.507 88 L N 3.303 124.379 121.223 -0.244 0.000 2.349 88 L HA 0.741 5.080 4.340 -0.002 0.000 0.278 88 L C -0.723 175.924 176.870 -0.370 0.000 0.996 88 L CA 0.036 54.640 54.840 -0.393 0.000 0.825 88 L CB 1.393 42.882 42.059 -0.949 0.000 1.243 88 L HN 0.542 nan 8.230 nan 0.000 0.412 89 V N 5.800 125.549 119.914 -0.275 0.000 2.398 89 V HA 0.465 4.584 4.120 -0.002 0.000 0.286 89 V C -0.316 175.610 176.094 -0.281 0.000 1.026 89 V CA -0.702 61.443 62.300 -0.259 0.000 0.868 89 V CB 1.758 33.466 31.823 -0.192 0.000 0.982 89 V HN 0.507 nan 8.190 nan 0.000 0.443 90 V N 4.078 123.806 119.914 -0.310 0.000 2.333 90 V HA 0.866 4.985 4.120 -0.002 0.000 0.274 90 V C 0.564 176.539 176.094 -0.198 0.000 1.028 90 V CA 0.273 62.402 62.300 -0.285 0.000 0.851 90 V CB 0.663 32.249 31.823 -0.395 0.000 1.000 90 V HN 1.271 nan 8.190 nan 0.000 0.456 91 G N 4.083 112.778 108.800 -0.175 0.000 3.438 91 G HA2 0.295 4.253 3.960 -0.002 0.000 0.684 91 G HA3 0.295 4.253 3.960 -0.002 0.000 0.684 91 G C -0.192 174.628 174.900 -0.134 0.000 1.192 91 G CA -0.328 44.695 45.100 -0.129 0.000 1.013 91 G HN 1.373 nan 8.290 nan 0.000 0.530 92 A N 1.773 124.529 122.820 -0.106 0.000 2.988 92 A HA 0.742 5.061 4.320 -0.002 0.000 0.288 92 A C 1.463 179.009 177.584 -0.063 0.000 1.385 92 A CA 1.058 53.050 52.037 -0.074 0.000 1.001 92 A CB -0.297 18.689 19.000 -0.024 0.000 1.071 92 A HN 2.095 nan 8.150 nan 0.000 0.608 93 G N -0.034 108.713 108.800 -0.088 0.000 2.653 93 G HA2 0.367 4.325 3.960 -0.002 0.000 0.265 93 G HA3 0.367 4.325 3.960 -0.002 0.000 0.265 93 G C -1.274 173.533 174.900 -0.156 0.000 1.237 93 G CA -0.948 44.075 45.100 -0.129 0.000 0.946 93 G HN 0.163 nan 8.290 nan 0.000 0.522 94 P HA -0.077 nan 4.420 nan 0.000 0.216 94 P C 1.741 179.041 177.300 -0.000 0.000 1.150 94 P CA 1.143 64.194 63.100 -0.082 0.000 0.843 94 P CB 0.173 31.843 31.700 -0.050 0.000 0.787 95 C N -1.922 117.373 119.300 -0.009 0.000 2.492 95 C HA 0.151 4.609 4.460 -0.002 0.000 0.279 95 C C 2.883 177.824 174.990 -0.082 0.000 1.335 95 C CA 0.985 60.004 59.018 0.002 0.000 1.734 95 C CB -1.677 26.062 27.740 -0.002 0.000 2.027 95 C HN 0.277 nan 8.230 nan 0.000 0.496 96 G N 1.006 109.749 108.800 -0.096 0.000 2.421 96 G HA2 -0.179 3.780 3.960 -0.002 0.000 0.216 96 G HA3 -0.179 3.780 3.960 -0.002 0.000 0.216 96 G C 1.537 176.360 174.900 -0.129 0.000 1.171 96 G CA 0.754 45.782 45.100 -0.120 0.000 0.775 96 G HN 0.500 nan 8.290 nan 0.000 0.543 97 L N -0.206 120.940 121.223 -0.129 0.000 2.046 97 L HA -0.018 4.320 4.340 -0.002 0.000 0.208 97 L C 2.884 179.663 176.870 -0.150 0.000 1.077 97 L CA 1.249 56.011 54.840 -0.132 0.000 0.747 97 L CB -0.322 41.659 42.059 -0.129 0.000 0.896 97 L HN 0.131 nan 8.230 nan 0.000 0.432 98 R N 0.645 121.028 120.500 -0.194 0.000 2.096 98 R HA -0.111 4.227 4.340 -0.002 0.000 0.235 98 R C 2.186 178.382 176.300 -0.173 0.000 1.127 98 R CA 1.640 57.563 56.100 -0.295 0.000 0.968 98 R CB -0.567 29.320 30.300 -0.687 0.000 0.861 98 R HN 0.322 nan 8.270 nan 0.000 0.440 99 A N 0.218 122.959 122.820 -0.132 0.000 1.898 99 A HA 0.040 4.359 4.320 -0.002 0.000 0.216 99 A C 2.379 179.929 177.584 -0.058 0.000 1.181 99 A CA 1.520 53.519 52.037 -0.064 0.000 0.620 99 A CB -1.094 17.860 19.000 -0.076 0.000 0.819 99 A HN 0.454 nan 8.150 nan 0.000 0.442 100 A N -0.430 122.337 122.820 -0.089 0.000 1.927 100 A HA -0.130 4.188 4.320 -0.002 0.000 0.220 100 A C 2.233 179.771 177.584 -0.076 0.000 1.185 100 A CA 2.141 54.127 52.037 -0.086 0.000 0.639 100 A CB -1.020 17.915 19.000 -0.107 0.000 0.820 100 A HN 0.441 nan 8.150 nan 0.000 0.451 101 V N -0.226 119.635 119.914 -0.089 0.000 2.427 101 V HA -0.163 3.955 4.120 -0.002 0.000 0.248 101 V C 2.593 178.638 176.094 -0.082 0.000 1.051 101 V CA 2.036 64.277 62.300 -0.099 0.000 1.048 101 V CB -0.613 31.143 31.823 -0.112 0.000 0.666 101 V HN 0.492 nan 8.190 nan 0.000 0.456 102 E N 0.130 120.315 120.200 -0.025 0.000 2.072 102 E HA -0.102 4.246 4.350 -0.002 0.000 0.191 102 E C 2.236 178.876 176.600 0.066 0.000 0.985 102 E CA 0.988 57.420 56.400 0.052 0.000 0.801 102 E CB -0.345 29.436 29.700 0.136 0.000 0.750 102 E HN 0.491 nan 8.360 nan 0.000 0.452 103 L N 0.438 121.682 121.223 0.034 0.000 2.042 103 L HA -0.208 4.131 4.340 -0.002 0.000 0.210 103 L C 2.521 179.398 176.870 0.011 0.000 1.076 103 L CA 1.275 56.134 54.840 0.033 0.000 0.749 103 L CB -0.665 41.397 42.059 0.005 0.000 0.893 103 L HN 0.072 nan 8.230 nan 0.000 0.432 104 A N 0.247 123.047 122.820 -0.033 0.000 1.883 104 A HA -0.207 4.112 4.320 -0.002 0.000 0.217 104 A C 2.240 179.770 177.584 -0.090 0.000 1.186 104 A CA 1.671 53.673 52.037 -0.059 0.000 0.624 104 A CB -0.767 18.179 19.000 -0.090 0.000 0.822 104 A HN 0.387 nan 8.150 nan 0.000 0.444 105 L N -0.859 120.263 121.223 -0.169 0.000 2.141 105 L HA -0.092 4.247 4.340 -0.002 0.000 0.209 105 L C 2.315 179.102 176.870 -0.138 0.000 1.094 105 L CA 0.588 55.217 54.840 -0.351 0.000 0.763 105 L CB -0.389 41.145 42.059 -0.874 0.000 0.908 105 L HN 0.357 nan 8.230 nan 0.000 0.437 106 L N -0.369 120.916 121.223 0.104 0.000 2.353 106 L HA -0.085 4.254 4.340 -0.002 0.000 0.220 106 L C 1.576 178.516 176.870 0.116 0.000 1.133 106 L CA 1.023 55.992 54.840 0.215 0.000 0.798 106 L CB -0.473 41.702 42.059 0.193 0.000 0.922 106 L HN 0.531 nan 8.230 nan 0.000 0.445 107 G N -1.187 107.651 108.800 0.063 0.000 2.184 107 G HA2 -0.181 3.777 3.960 -0.002 0.000 0.206 107 G HA3 -0.181 3.777 3.960 -0.002 0.000 0.206 107 G C 0.287 175.221 174.900 0.056 0.000 0.995 107 G CA -0.169 44.965 45.100 0.055 0.000 0.651 107 G HN 0.488 nan 8.290 nan 0.000 0.511 108 A N 0.053 122.909 122.820 0.060 0.000 2.322 108 A HA 0.766 5.085 4.320 -0.002 0.000 0.269 108 A C 0.712 178.338 177.584 0.072 0.000 1.094 108 A CA 0.268 52.350 52.037 0.075 0.000 0.807 108 A CB 0.416 19.463 19.000 0.078 0.000 1.047 108 A HN 0.738 nan 8.150 nan 0.000 0.487 109 R N 0.890 121.453 120.500 0.105 0.000 2.438 109 R HA 0.461 4.800 4.340 -0.002 0.000 0.287 109 R C -1.425 174.950 176.300 0.126 0.000 1.077 109 R CA 0.021 56.193 56.100 0.120 0.000 1.034 109 R CB 0.348 30.759 30.300 0.186 0.000 0.993 109 R HN 0.444 nan 8.270 nan 0.000 0.459 110 V N 5.263 125.213 119.914 0.060 0.000 2.525 110 V HA 0.364 4.482 4.120 -0.002 0.000 0.299 110 V C -0.748 175.312 176.094 -0.056 0.000 1.034 110 V CA -0.819 61.489 62.300 0.013 0.000 0.863 110 V CB 1.936 33.746 31.823 -0.022 0.000 0.999 110 V HN 0.515 nan 8.190 nan 0.000 0.423 111 V N 5.907 125.755 119.914 -0.111 0.000 2.540 111 V HA 0.598 4.717 4.120 -0.002 0.000 0.302 111 V C -0.536 175.458 176.094 -0.167 0.000 1.035 111 V CA -0.573 61.603 62.300 -0.206 0.000 0.873 111 V CB 2.044 33.518 31.823 -0.582 0.000 0.992 111 V HN 0.747 nan 8.190 nan 0.000 0.428 112 L N 6.028 127.163 121.223 -0.146 0.000 2.386 112 L HA 0.879 5.217 4.340 -0.002 0.000 0.271 112 L C -0.822 175.927 176.870 -0.202 0.000 0.993 112 L CA -0.656 54.068 54.840 -0.194 0.000 0.819 112 L CB 2.099 44.027 42.059 -0.217 0.000 1.294 112 L HN 0.601 nan 8.230 nan 0.000 0.414 113 V N 0.870 120.658 119.914 -0.210 0.000 2.555 113 V HA 0.786 4.905 4.120 -0.002 0.000 0.302 113 V C -0.936 175.023 176.094 -0.225 0.000 1.038 113 V CA -0.488 61.698 62.300 -0.190 0.000 0.887 113 V CB 1.634 33.396 31.823 -0.102 0.000 0.991 113 V HN 0.844 nan 8.190 nan 0.000 0.434 114 E N 3.237 123.282 120.200 -0.258 0.000 2.256 114 E HA 0.418 4.766 4.350 -0.002 0.000 0.268 114 E C 0.634 177.199 176.600 -0.058 0.000 0.877 114 E CA -0.402 55.880 56.400 -0.197 0.000 0.757 114 E CB 2.312 31.789 29.700 -0.372 0.000 1.183 114 E HN 0.839 nan 8.360 nan 0.000 0.418 115 K N 3.383 123.773 120.400 -0.017 0.000 2.211 115 K HA 0.052 4.371 4.320 -0.002 0.000 0.203 115 K C 0.378 177.023 176.600 0.074 0.000 1.050 115 K CA 0.581 56.880 56.287 0.020 0.000 0.945 115 K CB 0.213 32.711 32.500 -0.004 0.000 0.732 115 K HN 0.277 nan 8.250 nan 0.000 0.451 116 R N 0.665 121.235 120.500 0.116 0.000 2.549 116 R HA 0.326 4.664 4.340 -0.002 0.000 0.259 116 R C 1.148 177.586 176.300 0.229 0.000 1.095 116 R CA -0.212 55.977 56.100 0.147 0.000 1.148 116 R CB 0.655 31.043 30.300 0.148 0.000 1.181 116 R HN 0.325 nan 8.270 nan 0.000 0.571 117 I N -2.658 117.979 120.570 0.112 0.000 4.102 117 I HA 0.296 4.465 4.170 -0.002 0.000 0.325 117 I C -0.509 175.462 176.117 -0.244 0.000 1.471 117 I CA -0.364 60.940 61.300 0.005 0.000 1.133 117 I CB 0.274 38.264 38.000 -0.018 0.000 1.184 117 I HN 0.425 nan 8.210 nan 0.000 0.451 118 K N 0.719 121.005 120.400 -0.190 0.000 2.555 118 K HA 0.495 4.814 4.320 -0.002 0.000 0.279 118 K C -1.742 174.766 176.600 -0.154 0.000 0.986 118 K CA -0.746 55.354 56.287 -0.312 0.000 0.880 118 K CB 1.314 33.720 32.500 -0.157 0.000 1.474 118 K HN 0.011 nan 8.250 nan 0.000 0.433 119 F N 1.904 121.817 119.950 -0.062 0.000 2.332 119 F HA 0.219 4.744 4.527 -0.003 0.000 0.368 119 F C 0.875 176.598 175.800 -0.128 0.000 1.110 119 F CA -0.898 57.058 58.000 -0.073 0.000 1.087 119 F CB 1.892 40.838 39.000 -0.090 0.000 1.235 119 F HN 0.810 nan 8.300 nan 0.000 0.470 120 S N 1.702 117.440 115.700 0.064 0.000 2.559 120 S HA 0.261 4.730 4.470 -0.002 0.000 0.226 120 S C 0.409 174.894 174.600 -0.192 0.000 1.000 120 S CA -0.589 57.575 58.200 -0.059 0.000 0.948 120 S CB 0.101 63.314 63.200 0.022 0.000 0.870 120 S HN 0.505 nan 8.310 nan 0.000 0.497 121 R N 0.870 121.264 120.500 -0.176 0.000 2.265 121 R HA 0.399 4.738 4.340 -0.002 0.000 0.314 121 R C -0.107 176.014 176.300 -0.298 0.000 1.053 121 R CA -0.186 55.817 56.100 -0.161 0.000 0.931 121 R CB 0.389 30.629 30.300 -0.099 0.000 1.024 121 R HN 0.420 nan 8.270 nan 0.000 0.457 122 H N -0.043 119.032 119.070 0.009 0.000 2.575 122 H HA 0.104 4.658 4.556 -0.002 0.000 0.267 122 H C 0.032 175.325 175.328 -0.059 0.000 0.966 122 H CA -0.106 55.939 56.048 -0.005 0.000 1.165 122 H CB 0.333 30.130 29.762 0.059 0.000 1.433 122 H HN 0.521 nan 8.280 nan 0.000 0.544 123 N N 0.843 119.548 118.700 0.008 0.000 2.374 123 N HA 0.080 4.818 4.740 -0.002 0.000 0.241 123 N C -0.856 174.358 175.510 -0.494 0.000 1.262 123 N CA 0.050 53.002 53.050 -0.163 0.000 0.880 123 N CB 1.177 39.612 38.487 -0.088 0.000 1.105 123 N HN -0.072 nan 8.380 nan 0.000 0.438 124 V N 3.002 122.285 119.914 -1.051 0.000 2.495 124 V HA 0.388 4.506 4.120 -0.002 0.000 0.298 124 V C 0.001 175.746 176.094 -0.583 0.000 1.031 124 V CA -0.646 61.194 62.300 -0.768 0.000 0.871 124 V CB 1.508 32.869 31.823 -0.769 0.000 0.988 124 V HN 0.427 nan 8.190 nan 0.000 0.432 125 L N 3.541 124.524 121.223 -0.399 0.000 2.329 125 L HA 0.558 4.897 4.340 -0.002 0.000 0.279 125 L C -0.299 176.425 176.870 -0.243 0.000 1.014 125 L CA -0.854 53.811 54.840 -0.292 0.000 0.814 125 L CB 1.629 43.493 42.059 -0.325 0.000 1.257 125 L HN 0.691 nan 8.230 nan 0.000 0.424 126 H N 3.002 121.945 119.070 -0.211 0.000 2.652 126 H HA 0.474 5.028 4.556 -0.002 0.000 0.349 126 H C -1.107 174.131 175.328 -0.150 0.000 1.099 126 H CA 0.033 55.987 56.048 -0.157 0.000 1.417 126 H CB 0.843 30.643 29.762 0.063 0.000 1.457 126 H HN 0.387 nan 8.280 nan 0.000 0.568 127 L N 5.029 125.794 121.223 -0.763 0.000 2.333 127 L HA 0.227 4.565 4.340 -0.002 0.000 0.280 127 L C -0.630 175.915 176.870 -0.541 0.000 1.004 127 L CA -0.979 53.502 54.840 -0.599 0.000 0.820 127 L CB 0.952 42.743 42.059 -0.446 0.000 1.247 127 L HN 0.580 nan 8.230 nan 0.000 0.416 128 W N 3.729 124.692 121.300 -0.562 0.000 2.126 128 W HA 0.260 4.918 4.660 -0.002 0.000 0.346 128 W C -1.331 175.007 176.519 -0.302 0.000 1.279 128 W CA -1.900 55.253 57.345 -0.321 0.000 1.259 128 W CB -0.335 29.028 29.460 -0.161 0.000 1.133 128 W HN 0.341 nan 8.180 nan 0.000 0.592 129 P HA -0.294 nan 4.420 nan 0.000 0.216 129 P C 1.605 178.933 177.300 0.047 0.000 1.154 129 P CA 2.093 65.211 63.100 0.030 0.000 0.865 129 P CB -0.266 31.456 31.700 0.036 0.000 0.789 130 F N 0.252 120.251 119.950 0.082 0.000 2.216 130 F HA -0.146 4.380 4.527 -0.002 0.000 0.300 130 F C 1.872 177.771 175.800 0.164 0.000 1.085 130 F CA 1.863 59.882 58.000 0.032 0.000 1.326 130 F CB -2.163 36.856 39.000 0.030 0.000 1.027 130 F HN -0.073 nan 8.300 nan 0.000 0.497 131 T N -1.327 112.824 114.554 -0.672 0.000 2.985 131 T HA 0.006 4.354 4.350 -0.002 0.000 0.266 131 T C 1.928 176.538 174.700 -0.150 0.000 1.076 131 T CA 1.335 63.133 62.100 -0.504 0.000 1.135 131 T CB -0.998 67.321 68.868 -0.915 0.000 0.890 131 T HN 0.444 nan 8.240 nan 0.000 0.480 132 I N 1.194 121.678 120.570 -0.143 0.000 2.179 132 I HA -0.115 4.053 4.170 -0.002 0.000 0.242 132 I C 2.692 178.823 176.117 0.025 0.000 1.088 132 I CA 1.820 63.078 61.300 -0.070 0.000 1.357 132 I CB -0.478 37.471 38.000 -0.085 0.000 1.051 132 I HN 0.340 nan 8.210 nan 0.000 0.409 133 H N 0.559 119.626 119.070 -0.004 0.000 2.353 133 H HA -0.231 4.323 4.556 -0.002 0.000 0.300 133 H C 1.890 177.271 175.328 0.089 0.000 1.090 133 H CA 2.238 58.305 56.048 0.032 0.000 1.327 133 H CB -0.091 29.683 29.762 0.020 0.000 1.383 133 H HN 0.341 nan 8.280 nan 0.000 0.508 134 D N -0.144 120.405 120.400 0.249 0.000 2.103 134 D HA -0.193 4.446 4.640 -0.002 0.000 0.190 134 D C 2.263 178.639 176.300 0.126 0.000 0.997 134 D CA 1.969 56.130 54.000 0.267 0.000 0.833 134 D CB -0.277 40.834 40.800 0.518 0.000 0.961 134 D HN 0.467 nan 8.370 nan 0.000 0.447 135 L N -0.459 120.842 121.223 0.131 0.000 2.012 135 L HA -0.154 4.185 4.340 -0.002 0.000 0.210 135 L C 2.779 179.667 176.870 0.030 0.000 1.073 135 L CA 1.273 56.169 54.840 0.094 0.000 0.748 135 L CB -0.483 41.622 42.059 0.077 0.000 0.891 135 L HN 0.055 nan 8.230 nan 0.000 0.431 136 R N 0.487 120.968 120.500 -0.031 0.000 2.083 136 R HA -0.177 4.161 4.340 -0.002 0.000 0.237 136 R C 2.229 178.468 176.300 -0.101 0.000 1.137 136 R CA 1.603 57.659 56.100 -0.074 0.000 0.951 136 R CB -0.437 29.794 30.300 -0.114 0.000 0.851 136 R HN 0.350 nan 8.270 nan 0.000 0.434 137 A N -0.105 122.608 122.820 -0.178 0.000 2.178 137 A HA -0.056 4.263 4.320 -0.002 0.000 0.218 137 A C 1.803 179.369 177.584 -0.030 0.000 1.157 137 A CA 1.036 52.982 52.037 -0.151 0.000 0.689 137 A CB -0.313 18.550 19.000 -0.229 0.000 0.787 137 A HN 0.382 nan 8.150 nan 0.000 0.465 138 L N -2.097 119.135 121.223 0.015 0.000 2.640 138 L HA 0.288 4.627 4.340 -0.002 0.000 0.230 138 L C 1.438 178.404 176.870 0.160 0.000 1.123 138 L CA 0.557 55.442 54.840 0.075 0.000 0.900 138 L CB 0.276 42.378 42.059 0.073 0.000 1.146 138 L HN 0.529 nan 8.230 nan 0.000 0.484 139 G N -0.549 108.305 108.800 0.090 0.000 2.143 139 G HA2 -0.233 3.725 3.960 -0.002 0.000 0.175 139 G HA3 -0.233 3.725 3.960 -0.002 0.000 0.175 139 G C 0.955 175.852 174.900 -0.005 0.000 1.004 139 G CA 0.213 45.312 45.100 -0.002 0.000 0.671 139 G HN 0.282 nan 8.290 nan 0.000 0.512 140 A N 0.131 123.021 122.820 0.116 0.000 1.986 140 A HA 0.289 4.608 4.320 -0.002 0.000 0.220 140 A C 2.760 180.384 177.584 0.066 0.000 1.171 140 A CA 2.717 54.855 52.037 0.169 0.000 0.640 140 A CB -0.637 18.432 19.000 0.115 0.000 0.811 140 A HN 1.839 nan 8.150 nan 0.000 0.451 141 A N -0.296 122.495 122.820 -0.048 0.000 1.898 141 A HA 0.226 4.544 4.320 -0.002 0.000 0.216 141 A C 2.478 179.964 177.584 -0.162 0.000 1.181 141 A CA 1.817 53.797 52.037 -0.095 0.000 0.620 141 A CB -0.923 18.013 19.000 -0.108 0.000 0.819 141 A HN 1.058 nan 8.150 nan 0.000 0.442 142 A N -1.118 121.520 122.820 -0.305 0.000 1.972 142 A HA 0.024 4.343 4.320 -0.002 0.000 0.219 142 A C 1.917 179.212 177.584 -0.481 0.000 1.169 142 A CA 1.378 53.139 52.037 -0.460 0.000 0.635 142 A CB -0.703 17.882 19.000 -0.691 0.000 0.810 142 A HN 0.530 nan 8.150 nan 0.000 0.446 143 F N -3.260 116.645 119.950 -0.075 0.000 2.416 143 F HA 0.164 4.690 4.527 -0.002 0.000 0.296 143 F C 0.696 176.510 175.800 0.023 0.000 1.099 143 F CA 0.427 58.378 58.000 -0.081 0.000 1.427 143 F CB 0.210 39.148 39.000 -0.103 0.000 1.079 143 F HN 0.250 nan 8.300 nan 0.000 0.536 144 Y N 0.448 120.765 120.300 0.028 0.000 2.322 144 Y HA 0.470 5.019 4.550 -0.002 0.000 0.324 144 Y C 0.742 176.615 175.900 -0.045 0.000 1.027 144 Y CA -1.872 56.222 58.100 -0.011 0.000 1.179 144 Y CB 1.240 39.695 38.460 -0.009 0.000 1.136 144 Y HN 0.005 nan 8.280 nan 0.000 0.449 145 G N 5.508 114.210 108.800 -0.164 0.000 2.476 145 G HA2 -0.188 3.771 3.960 -0.002 0.000 0.218 145 G HA3 -0.188 3.771 3.960 -0.002 0.000 0.218 145 G C 0.551 175.203 174.900 -0.414 0.000 1.164 145 G CA 0.603 45.560 45.100 -0.239 0.000 0.768 145 G HN 0.478 nan 8.290 nan 0.000 0.560 152 L N 3.167 124.208 121.223 -0.302 0.000 2.551 152 L HA 0.476 4.815 4.340 -0.002 0.000 0.248 152 L C -0.434 176.249 176.870 -0.312 0.000 1.509 152 L CA 0.219 54.850 54.840 -0.348 0.000 0.842 152 L CB 0.832 42.760 42.059 -0.218 0.000 1.087 152 L HN 0.822 nan 8.230 nan 0.000 0.512 153 D N -0.259 119.886 120.400 -0.424 0.000 2.538 153 D HA 0.149 4.788 4.640 -0.002 0.000 0.241 153 D C -0.149 175.961 176.300 -0.316 0.000 1.297 153 D CA 0.178 54.008 54.000 -0.284 0.000 0.804 153 D CB 0.636 41.374 40.800 -0.103 0.000 1.122 153 D HN 0.596 nan 8.370 nan 0.000 0.519 154 H N -1.654 117.224 119.070 -0.321 0.000 3.017 154 H HA 0.681 5.235 4.556 -0.002 0.000 0.346 154 H C -1.420 173.727 175.328 -0.303 0.000 1.286 154 H CA -1.052 54.734 56.048 -0.437 0.000 1.120 154 H CB 1.301 30.587 29.762 -0.793 0.000 1.860 154 H HN -0.088 nan 8.280 nan 0.000 0.542 155 I N 1.190 121.697 120.570 -0.106 0.000 2.842 155 I HA 0.433 4.602 4.170 -0.002 0.000 0.297 155 I C -0.868 175.150 176.117 -0.166 0.000 1.380 155 I CA -0.645 60.607 61.300 -0.080 0.000 1.018 155 I CB 2.199 40.126 38.000 -0.123 0.000 1.311 155 I HN 1.028 nan 8.210 nan 0.000 0.439 156 S N 5.619 121.230 115.700 -0.147 0.000 2.617 156 S HA 0.403 4.871 4.470 -0.002 0.000 0.269 156 S C 1.237 175.682 174.600 -0.258 0.000 1.292 156 S CA -0.617 57.459 58.200 -0.206 0.000 1.010 156 S CB 1.407 64.536 63.200 -0.119 0.000 0.944 156 S HN 0.610 nan 8.310 nan 0.000 0.536 157 I N 1.550 121.953 120.570 -0.278 0.000 2.113 157 I HA -0.322 3.846 4.170 -0.002 0.000 0.242 157 I C 2.928 178.855 176.117 -0.316 0.000 1.064 157 I CA 2.249 63.373 61.300 -0.293 0.000 1.320 157 I CB -0.472 37.366 38.000 -0.271 0.000 1.028 157 I HN 0.822 nan 8.210 nan 0.000 0.406 158 R N 0.736 121.063 120.500 -0.287 0.000 2.092 158 R HA -0.156 4.183 4.340 -0.002 0.000 0.231 158 R C 1.993 178.108 176.300 -0.309 0.000 1.119 158 R CA 1.061 56.993 56.100 -0.280 0.000 0.970 158 R CB -0.555 29.630 30.300 -0.192 0.000 0.864 158 R HN 0.394 nan 8.270 nan 0.000 0.440 159 Q N 0.831 120.428 119.800 -0.339 0.000 2.224 159 Q HA -0.076 4.262 4.340 -0.002 0.000 0.203 159 Q C 2.083 177.796 176.000 -0.479 0.000 0.970 159 Q CA 0.813 56.314 55.803 -0.503 0.000 0.865 159 Q CB -0.149 28.077 28.738 -0.853 0.000 0.922 159 Q HN 0.304 nan 8.270 nan 0.000 0.445 160 L N 1.058 122.048 121.223 -0.388 0.000 2.109 160 L HA -0.125 4.214 4.340 -0.002 0.000 0.207 160 L C 2.140 178.813 176.870 -0.327 0.000 1.086 160 L CA 1.655 56.312 54.840 -0.304 0.000 0.760 160 L CB -0.493 41.412 42.059 -0.257 0.000 0.910 160 L HN 0.110 nan 8.230 nan 0.000 0.437 161 Q N -0.658 118.861 119.800 -0.469 0.000 2.030 161 Q HA -0.224 4.115 4.340 -0.002 0.000 0.204 161 Q C 2.277 177.975 176.000 -0.504 0.000 0.986 161 Q CA 2.169 57.535 55.803 -0.727 0.000 0.843 161 Q CB -0.343 27.494 28.738 -1.501 0.000 0.904 161 Q HN 0.505 nan 8.270 nan 0.000 0.420 162 L N 0.295 121.335 121.223 -0.305 0.000 1.989 162 L HA -0.250 4.089 4.340 -0.002 0.000 0.211 162 L C 2.468 179.208 176.870 -0.216 0.000 1.071 162 L CA 1.010 55.801 54.840 -0.081 0.000 0.749 162 L CB -0.528 41.471 42.059 -0.100 0.000 0.890 162 L HN 0.285 nan 8.230 nan 0.000 0.431 163 L N -0.340 120.723 121.223 -0.267 0.000 1.971 163 L HA -0.290 4.048 4.340 -0.002 0.000 0.215 163 L C 2.480 179.144 176.870 -0.344 0.000 1.072 163 L CA 1.682 56.351 54.840 -0.285 0.000 0.758 163 L CB -0.172 41.788 42.059 -0.165 0.000 0.889 163 L HN 0.192 nan 8.230 nan 0.000 0.433 164 L N -1.219 119.863 121.223 -0.235 0.000 2.217 164 L HA -0.199 4.140 4.340 -0.002 0.000 0.211 164 L C 2.368 179.131 176.870 -0.178 0.000 1.107 164 L CA 0.299 55.023 54.840 -0.193 0.000 0.783 164 L CB -0.427 41.543 42.059 -0.147 0.000 0.919 164 L HN 0.328 nan 8.230 nan 0.000 0.442 165 L N 0.134 121.277 121.223 -0.132 0.000 2.046 165 L HA -0.206 4.132 4.340 -0.002 0.000 0.208 165 L C 2.402 179.205 176.870 -0.112 0.000 1.077 165 L CA 1.858 56.690 54.840 -0.013 0.000 0.747 165 L CB -0.432 41.750 42.059 0.205 0.000 0.896 165 L HN 0.096 nan 8.230 nan 0.000 0.432 166 K N -1.494 118.724 120.400 -0.303 0.000 2.103 166 K HA -0.049 4.270 4.320 -0.002 0.000 0.204 166 K C 1.911 178.363 176.600 -0.246 0.000 1.052 166 K CA 1.246 57.310 56.287 -0.371 0.000 0.945 166 K CB -0.137 31.708 32.500 -1.092 0.000 0.722 166 K HN 0.217 nan 8.250 nan 0.000 0.443 167 V N 1.449 121.128 119.914 -0.391 0.000 2.295 167 V HA -0.267 3.852 4.120 -0.002 0.000 0.246 167 V C 2.347 178.391 176.094 -0.083 0.000 1.049 167 V CA 2.097 64.308 62.300 -0.149 0.000 1.024 167 V CB -0.758 30.989 31.823 -0.127 0.000 0.648 167 V HN 0.348 nan 8.190 nan 0.000 0.447 168 A N 0.003 122.753 122.820 -0.117 0.000 1.865 168 A HA -0.195 4.124 4.320 -0.002 0.000 0.217 168 A C 2.241 179.756 177.584 -0.115 0.000 1.191 168 A CA 2.065 54.039 52.037 -0.105 0.000 0.623 168 A CB -0.667 18.273 19.000 -0.100 0.000 0.826 168 A HN 0.488 nan 8.150 nan 0.000 0.444 169 L N -0.810 120.304 121.223 -0.182 0.000 1.990 169 L HA -0.249 4.089 4.340 -0.002 0.000 0.213 169 L C 2.622 179.312 176.870 -0.301 0.000 1.072 169 L CA 1.597 56.184 54.840 -0.422 0.000 0.755 169 L CB -0.696 40.838 42.059 -0.875 0.000 0.889 169 L HN 0.381 nan 8.230 nan 0.000 0.432 170 L N -0.910 120.284 121.223 -0.048 0.000 2.187 170 L HA -0.224 4.115 4.340 -0.002 0.000 0.213 170 L C 1.966 178.978 176.870 0.237 0.000 1.100 170 L CA 0.607 55.622 54.840 0.291 0.000 0.765 170 L CB -0.225 42.146 42.059 0.521 0.000 0.904 170 L HN 0.273 nan 8.230 nan 0.000 0.437 171 L N -0.519 120.735 121.223 0.051 0.000 2.592 171 L HA 0.229 4.567 4.340 -0.002 0.000 0.227 171 L C 1.396 178.262 176.870 -0.007 0.000 1.127 171 L CA 0.877 55.691 54.840 -0.043 0.000 0.884 171 L CB -0.663 41.315 42.059 -0.134 0.000 1.065 171 L HN 0.343 nan 8.230 nan 0.000 0.457 172 G N -0.619 108.202 108.800 0.035 0.000 2.132 172 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.228 172 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.228 172 G C 0.230 175.132 174.900 0.004 0.000 1.000 172 G CA 0.142 45.271 45.100 0.048 0.000 0.693 172 G HN 0.088 nan 8.290 nan 0.000 0.515 173 V N 0.691 120.585 119.914 -0.033 0.000 2.572 173 V HA 0.326 4.444 4.120 -0.002 0.000 0.291 173 V C 0.904 176.964 176.094 -0.057 0.000 1.039 173 V CA 0.183 62.450 62.300 -0.054 0.000 1.055 173 V CB 1.722 33.497 31.823 -0.079 0.000 0.969 173 V HN 0.452 nan 8.190 nan 0.000 0.482 174 E N 5.531 125.692 120.200 -0.066 0.000 2.089 174 E HA 0.416 4.764 4.350 -0.002 0.000 0.284 174 E C -0.973 175.547 176.600 -0.133 0.000 1.023 174 E CA -0.357 55.991 56.400 -0.088 0.000 0.819 174 E CB 0.614 30.273 29.700 -0.067 0.000 1.076 174 E HN 0.592 nan 8.360 nan 0.000 0.396 175 I N 4.406 124.856 120.570 -0.200 0.000 2.493 175 I HA 0.338 4.506 4.170 -0.002 0.000 0.298 175 I C -0.143 175.717 176.117 -0.428 0.000 0.998 175 I CA -0.869 60.261 61.300 -0.282 0.000 1.137 175 I CB 1.556 39.392 38.000 -0.273 0.000 1.310 175 I HN 0.494 nan 8.210 nan 0.000 0.445 176 H N 4.057 122.867 119.070 -0.433 0.000 2.589 176 H HA 0.305 4.860 4.556 -0.002 0.000 0.351 176 H C -1.595 173.499 175.328 -0.389 0.000 1.074 176 H CA -0.538 55.362 56.048 -0.246 0.000 1.203 176 H CB 2.041 31.727 29.762 -0.128 0.000 1.558 176 H HN 0.495 nan 8.280 nan 0.000 0.522 177 W N -0.300 121.032 121.300 0.055 0.000 2.706 177 W HA 0.430 5.089 4.660 -0.002 0.000 0.346 177 W C 0.816 177.342 176.519 0.010 0.000 1.071 177 W CA -0.371 56.977 57.345 0.005 0.000 1.206 177 W CB 1.389 30.819 29.460 -0.049 0.000 1.413 177 W HN 0.934 nan 8.180 nan 0.000 0.542 178 G N 0.642 109.577 108.800 0.225 0.000 2.198 178 G HA2 -0.154 3.804 3.960 -0.002 0.000 0.260 178 G HA3 -0.154 3.804 3.960 -0.002 0.000 0.260 178 G C -0.759 174.190 174.900 0.082 0.000 1.025 178 G CA 0.143 45.322 45.100 0.132 0.000 0.769 178 G HN 0.577 nan 8.290 nan 0.000 0.507 179 V N -0.648 119.300 119.914 0.056 0.000 2.531 179 V HA 0.619 4.738 4.120 -0.002 0.000 0.301 179 V C 0.214 176.307 176.094 -0.002 0.000 1.034 179 V CA -1.192 61.123 62.300 0.024 0.000 0.865 179 V CB 1.963 33.793 31.823 0.012 0.000 0.995 179 V HN 0.348 nan 8.190 nan 0.000 0.424 180 K N 4.008 124.402 120.400 -0.010 0.000 2.265 180 K HA 0.467 4.785 4.320 -0.002 0.000 0.267 180 K C -0.878 175.705 176.600 -0.028 0.000 0.994 180 K CA -0.680 55.586 56.287 -0.036 0.000 0.860 180 K CB 1.091 33.560 32.500 -0.052 0.000 1.099 180 K HN 0.606 nan 8.250 nan 0.000 0.448 181 F N 4.376 124.218 119.950 -0.181 0.000 2.541 181 F HA 0.014 4.539 4.527 -0.003 0.000 0.378 181 F C 1.008 176.695 175.800 -0.189 0.000 1.068 181 F CA 0.688 58.595 58.000 -0.155 0.000 1.199 181 F CB 0.885 39.781 39.000 -0.173 0.000 1.091 181 F HN 0.674 nan 8.300 nan 0.000 0.555 182 T N 1.696 115.877 114.554 -0.621 0.000 3.003 182 T HA 0.638 4.986 4.350 -0.002 0.000 0.261 182 T C 0.600 175.044 174.700 -0.428 0.000 1.003 182 T CA 0.150 62.025 62.100 -0.376 0.000 0.917 182 T CB 0.026 68.791 68.868 -0.171 0.000 1.084 182 T HN 1.012 nan 8.240 nan 0.000 0.522 183 G N 0.810 108.997 108.800 -1.022 0.000 2.368 183 G HA2 0.407 4.365 3.960 -0.002 0.000 0.269 183 G HA3 0.407 4.365 3.960 -0.002 0.000 0.269 183 G C -2.272 172.425 174.900 -0.340 0.000 1.291 183 G CA -0.992 43.805 45.100 -0.506 0.000 0.903 183 G HN 0.359 nan 8.290 nan 0.000 0.483 184 L N 0.301 121.587 121.223 0.106 0.000 2.341 184 L HA 0.560 4.898 4.340 -0.002 0.000 0.267 184 L C -0.095 176.908 176.870 0.222 0.000 1.009 184 L CA -0.824 54.198 54.840 0.303 0.000 0.819 184 L CB 2.217 44.597 42.059 0.535 0.000 1.323 184 L HN 0.518 nan 8.230 nan 0.000 0.425 185 Q N 2.676 122.598 119.800 0.203 0.000 2.430 185 Q HA 0.324 4.663 4.340 -0.002 0.000 0.245 185 Q C -2.364 173.626 176.000 -0.016 0.000 1.021 185 Q CA -1.969 53.880 55.803 0.077 0.000 0.867 185 Q CB 1.003 29.761 28.738 0.034 0.000 1.210 185 Q HN 0.243 nan 8.270 nan 0.000 0.487 186 P HA 0.027 nan 4.420 nan 0.000 0.269 186 P C -2.451 174.488 177.300 -0.602 0.000 1.215 186 P CA -1.186 61.517 63.100 -0.662 0.000 0.780 186 P CB -0.228 31.229 31.700 -0.406 0.000 0.898 187 P HA -0.005 nan 4.420 nan 0.000 0.258 187 P C -1.896 175.305 177.300 -0.166 0.000 1.187 187 P CA -0.551 62.282 63.100 -0.446 0.000 0.767 187 P CB -0.524 30.917 31.700 -0.432 0.000 0.770 188 P HA -0.013 nan 4.420 nan 0.000 0.221 188 P C 0.338 177.518 177.300 -0.200 0.000 1.150 188 P CA 1.196 64.236 63.100 -0.100 0.000 0.800 188 P CB 0.485 32.120 31.700 -0.107 0.000 0.787 189 R N -3.010 117.303 120.500 -0.311 0.000 2.855 189 R HA 0.267 4.606 4.340 -0.002 0.000 0.274 189 R C -0.967 175.104 176.300 -0.381 0.000 0.997 189 R CA -0.940 54.725 56.100 -0.724 0.000 0.856 189 R CB 0.617 30.541 30.300 -0.627 0.000 1.378 189 R HN -0.313 nan 8.270 nan 0.000 0.462 190 K N 0.205 120.405 120.400 -0.334 0.000 2.524 190 K HA 0.152 4.470 4.320 -0.002 0.000 0.279 190 K C 0.544 177.090 176.600 -0.091 0.000 0.993 190 K CA 1.805 58.028 56.287 -0.107 0.000 1.030 190 K CB 0.172 32.627 32.500 -0.076 0.000 0.891 190 K HN 0.675 nan 8.250 nan 0.000 0.488 191 G N 2.082 110.851 108.800 -0.051 0.000 2.175 191 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.244 191 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.244 191 G C -0.167 174.696 174.900 -0.061 0.000 0.982 191 G CA 0.330 45.401 45.100 -0.049 0.000 0.641 191 G HN 0.919 nan 8.290 nan 0.000 0.527 192 S N -0.448 115.200 115.700 -0.086 0.000 2.681 192 S HA 0.882 5.350 4.470 -0.002 0.000 0.299 192 S C 0.521 175.042 174.600 -0.132 0.000 1.113 192 S CA 0.173 58.309 58.200 -0.107 0.000 1.013 192 S CB 2.386 65.507 63.200 -0.131 0.000 1.076 192 S HN 1.536 nan 8.310 nan 0.000 0.534 193 G N -0.779 107.933 108.800 -0.147 0.000 2.753 193 G HA2 0.553 4.511 3.960 -0.002 0.000 0.285 193 G HA3 0.553 4.511 3.960 -0.002 0.000 0.285 193 G C -1.517 173.218 174.900 -0.275 0.000 1.344 193 G CA -1.229 43.776 45.100 -0.158 0.000 1.050 193 G HN 0.688 nan 8.290 nan 0.000 0.532 194 W N 0.067 121.164 121.300 -0.337 0.000 2.316 194 W HA 0.644 5.302 4.660 -0.003 0.000 0.321 194 W C 0.922 177.016 176.519 -0.710 0.000 1.203 194 W CA -0.281 56.803 57.345 -0.436 0.000 1.214 194 W CB 1.041 30.227 29.460 -0.457 0.000 1.169 194 W HN 0.282 nan 8.180 nan 0.000 0.561 195 R N 1.521 121.908 120.500 -0.189 0.000 3.029 195 R HA 0.894 5.233 4.340 -0.002 0.000 0.239 195 R C -0.844 175.633 176.300 0.296 0.000 1.351 195 R CA -1.268 54.785 56.100 -0.079 0.000 1.052 195 R CB 1.367 31.669 30.300 0.004 0.000 1.354 195 R HN 0.478 nan 8.270 nan 0.000 0.499 196 A N 0.676 123.775 122.820 0.465 0.000 2.355 196 A HA 0.417 4.736 4.320 -0.002 0.000 0.324 196 A C -1.028 176.656 177.584 0.167 0.000 1.117 196 A CA -0.629 51.691 52.037 0.472 0.000 0.785 196 A CB 1.432 20.800 19.000 0.615 0.000 1.254 196 A HN 0.566 nan 8.150 nan 0.000 0.453 197 Q N 0.353 120.135 119.800 -0.031 0.000 2.235 197 Q HA 0.700 5.039 4.340 -0.002 0.000 0.250 197 Q C -1.287 174.623 176.000 -0.150 0.000 0.909 197 Q CA -0.099 55.651 55.803 -0.088 0.000 0.910 197 Q CB 1.662 30.322 28.738 -0.130 0.000 1.223 197 Q HN 0.645 nan 8.270 nan 0.000 0.432 198 L N 1.547 122.729 121.223 -0.068 0.000 2.434 198 L HA 0.477 4.816 4.340 -0.002 0.000 0.260 198 L C -1.019 175.829 176.870 -0.035 0.000 0.983 198 L CA -0.682 54.131 54.840 -0.045 0.000 0.820 198 L CB 2.556 44.619 42.059 0.007 0.000 1.361 198 L HN 0.533 nan 8.230 nan 0.000 0.410 199 Q N 3.443 123.224 119.800 -0.032 0.000 2.304 199 Q HA 0.512 4.851 4.340 -0.002 0.000 0.270 199 Q C -2.592 173.407 176.000 -0.002 0.000 1.035 199 Q CA -1.647 54.145 55.803 -0.017 0.000 0.781 199 Q CB 3.171 31.893 28.738 -0.027 0.000 1.261 199 Q HN 0.247 nan 8.270 nan 0.000 0.444 200 P HA 0.039 nan 4.420 nan 0.000 0.277 200 P C -0.683 176.623 177.300 0.009 0.000 1.271 200 P CA -0.433 62.673 63.100 0.009 0.000 0.795 200 P CB 0.464 32.174 31.700 0.016 0.000 1.101 201 N N 1.314 120.020 118.700 0.009 0.000 2.160 201 N HA -0.035 4.704 4.740 -0.002 0.000 0.283 201 N C -1.822 173.698 175.510 0.017 0.000 1.363 201 N CA -0.350 52.706 53.050 0.012 0.000 0.848 201 N CB -0.657 37.838 38.487 0.012 0.000 1.127 201 N HN 0.220 nan 8.380 nan 0.000 0.493 202 P HA 0.290 nan 4.420 nan 0.000 0.274 202 P C -2.575 174.741 177.300 0.027 0.000 1.246 202 P CA -1.109 62.002 63.100 0.019 0.000 0.795 202 P CB -0.251 31.455 31.700 0.011 0.000 1.006 203 P HA 0.110 nan 4.420 nan 0.000 0.272 203 P C 0.669 177.993 177.300 0.040 0.000 1.240 203 P CA -0.192 62.933 63.100 0.041 0.000 0.791 203 P CB 0.129 31.864 31.700 0.059 0.000 0.978 204 A N 0.806 123.652 122.820 0.043 0.000 1.978 204 A HA -0.264 4.054 4.320 -0.002 0.000 0.220 204 A C 2.188 179.809 177.584 0.061 0.000 1.170 204 A CA 2.001 54.066 52.037 0.047 0.000 0.636 204 A CB -1.153 17.872 19.000 0.042 0.000 0.810 204 A HN 0.592 nan 8.150 nan 0.000 0.448 205 Q N 0.177 120.016 119.800 0.065 0.000 2.002 205 Q HA -0.116 4.222 4.340 -0.002 0.000 0.204 205 Q C 1.856 177.903 176.000 0.077 0.000 0.988 205 Q CA 2.135 57.987 55.803 0.082 0.000 0.843 205 Q CB -0.613 28.184 28.738 0.100 0.000 0.908 205 Q HN 0.598 nan 8.270 nan 0.000 0.420 206 L N -0.144 121.079 121.223 0.000 0.000 2.093 206 L HA -0.098 4.240 4.340 -0.002 0.000 0.208 206 L C 2.385 179.311 176.870 0.093 0.000 1.085 206 L CA 0.900 55.720 54.840 -0.034 0.000 0.755 206 L CB -0.693 41.254 42.059 -0.187 0.000 0.904 206 L HN 0.386 nan 8.230 nan 0.000 0.435 207 A N -0.096 122.765 122.820 0.069 0.000 1.917 207 A HA -0.253 4.065 4.320 -0.002 0.000 0.219 207 A C 2.368 180.014 177.584 0.103 0.000 1.182 207 A CA 2.292 54.376 52.037 0.078 0.000 0.633 207 A CB -0.634 18.396 19.000 0.051 0.000 0.819 207 A HN 0.536 nan 8.150 nan 0.000 0.448 208 S N -2.686 113.081 115.700 0.111 0.000 2.575 208 S HA 0.149 4.617 4.470 -0.002 0.000 0.215 208 S C 0.364 175.051 174.600 0.146 0.000 0.966 208 S CA -0.342 57.917 58.200 0.099 0.000 0.911 208 S CB -0.467 62.780 63.200 0.078 0.000 0.780 208 S HN 0.452 nan 8.310 nan 0.000 0.514 209 Y N 3.304 123.657 120.300 0.089 0.000 2.465 209 Y HA 0.382 4.931 4.550 -0.002 0.000 0.331 209 Y C -0.021 175.985 175.900 0.177 0.000 1.102 209 Y CA -0.584 57.599 58.100 0.139 0.000 1.358 209 Y CB 0.351 38.905 38.460 0.156 0.000 1.213 209 Y HN 0.253 nan 8.280 nan 0.000 0.525 210 E N 6.987 126.904 120.200 -0.472 0.000 2.199 210 E HA 0.440 4.789 4.350 -0.002 0.000 0.269 210 E C -1.538 174.699 176.600 -0.606 0.000 0.899 210 E CA -0.810 55.298 56.400 -0.487 0.000 0.772 210 E CB 1.735 31.276 29.700 -0.266 0.000 1.155 210 E HN 0.543 nan 8.360 nan 0.000 0.408 211 F N -0.349 119.431 119.950 -0.285 0.000 2.613 211 F HA 0.392 4.918 4.527 -0.002 0.000 0.310 211 F C 0.243 176.056 175.800 0.021 0.000 1.085 211 F CA -1.094 56.789 58.000 -0.195 0.000 0.945 211 F CB 1.055 39.977 39.000 -0.131 0.000 1.298 211 F HN 0.285 nan 8.300 nan 0.000 0.455 212 D N 0.037 120.593 120.400 0.259 0.000 2.398 212 D HA 0.171 4.809 4.640 -0.002 0.000 0.210 212 D C -0.470 175.894 176.300 0.107 0.000 1.094 212 D CA 0.211 54.358 54.000 0.245 0.000 0.839 212 D CB 0.940 41.964 40.800 0.373 0.000 0.963 212 D HN 0.261 nan 8.370 nan 0.000 0.506 213 V N 1.360 121.347 119.914 0.122 0.000 2.577 213 V HA 0.354 4.472 4.120 -0.002 0.000 0.303 213 V C -1.186 174.869 176.094 -0.065 0.000 1.042 213 V CA -0.976 61.264 62.300 -0.101 0.000 0.872 213 V CB 2.343 34.087 31.823 -0.133 0.000 0.998 213 V HN 0.108 nan 8.190 nan 0.000 0.423 214 L N 6.585 127.715 121.223 -0.156 0.000 2.319 214 L HA 0.654 4.993 4.340 -0.002 0.000 0.281 214 L C -0.940 175.779 176.870 -0.250 0.000 1.005 214 L CA -0.028 54.659 54.840 -0.255 0.000 0.828 214 L CB 1.192 43.135 42.059 -0.194 0.000 1.227 214 L HN 0.427 nan 8.230 nan 0.000 0.415 215 I N 3.798 124.208 120.570 -0.268 0.000 2.312 215 I HA 0.318 4.486 4.170 -0.002 0.000 0.290 215 I C 0.255 176.210 176.117 -0.271 0.000 1.008 215 I CA -0.119 61.042 61.300 -0.231 0.000 1.226 215 I CB 1.234 39.127 38.000 -0.180 0.000 1.371 215 I HN 0.572 nan 8.210 nan 0.000 0.468 216 S N 5.128 120.668 115.700 -0.267 0.000 2.438 216 S HA 0.716 5.184 4.470 -0.002 0.000 0.293 216 S C 0.243 174.732 174.600 -0.184 0.000 1.141 216 S CA -0.375 57.680 58.200 -0.242 0.000 1.080 216 S CB 0.674 63.738 63.200 -0.226 0.000 0.978 216 S HN 0.722 nan 8.310 nan 0.000 0.479 217 A N 3.718 126.454 122.820 -0.140 0.000 3.045 217 A HA 0.630 4.949 4.320 -0.002 0.000 0.244 217 A C 0.727 178.272 177.584 -0.065 0.000 0.917 217 A CA 0.002 51.974 52.037 -0.107 0.000 1.075 217 A CB -0.241 18.687 19.000 -0.119 0.000 1.202 217 A HN 0.912 nan 8.150 nan 0.000 0.486 218 A N -0.106 122.709 122.820 -0.009 0.000 2.278 218 A HA 0.533 4.852 4.320 -0.002 0.000 0.212 218 A C 1.395 179.019 177.584 0.067 0.000 1.213 218 A CA 0.988 53.046 52.037 0.035 0.000 0.840 218 A CB -0.736 18.348 19.000 0.140 0.000 0.866 218 A HN 2.350 nan 8.150 nan 0.000 0.489 219 G N -2.141 106.683 108.800 0.040 0.000 2.757 219 G HA2 0.146 4.105 3.960 -0.002 0.000 0.638 219 G HA3 0.146 4.105 3.960 -0.002 0.000 0.638 219 G C 1.009 175.957 174.900 0.080 0.000 1.344 219 G CA -0.288 44.843 45.100 0.052 0.000 0.855 219 G HN 1.224 nan 8.290 nan 0.000 0.537 220 G N -0.408 108.447 108.800 0.091 0.000 2.562 220 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.223 220 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.223 220 G C 1.296 176.256 174.900 0.099 0.000 1.102 220 G CA 1.857 47.016 45.100 0.099 0.000 0.742 220 G HN 0.773 nan 8.290 nan 0.000 0.587 221 K N -0.919 119.559 120.400 0.130 0.000 2.399 221 K HA 0.328 4.647 4.320 -0.002 0.000 0.204 221 K C -0.835 175.890 176.600 0.209 0.000 1.023 221 K CA -0.605 55.769 56.287 0.145 0.000 1.127 221 K CB 0.430 33.023 32.500 0.155 0.000 0.856 221 K HN 0.332 nan 8.250 nan 0.000 0.514 222 F N 1.327 121.294 119.950 0.028 0.000 2.607 222 F HA 0.332 4.858 4.527 -0.003 0.000 0.322 222 F C -0.928 174.868 175.800 -0.007 0.000 1.176 222 F CA -1.249 56.770 58.000 0.032 0.000 0.977 222 F CB 1.357 40.386 39.000 0.050 0.000 1.242 222 F HN -0.170 nan 8.300 nan 0.000 0.465 223 V N 3.256 122.710 119.914 -0.767 0.000 3.001 223 V HA 0.800 4.919 4.120 -0.002 0.000 0.314 223 V C -2.869 172.717 176.094 -0.847 0.000 1.099 223 V CA -2.757 59.135 62.300 -0.680 0.000 0.989 223 V CB 1.654 33.245 31.823 -0.388 0.000 1.040 223 V HN 0.591 nan 8.190 nan 0.000 0.434 224 P HA 0.221 nan 4.420 nan 0.000 0.270 224 P C -0.324 177.054 177.300 0.131 0.000 1.223 224 P CA -0.142 63.003 63.100 0.076 0.000 0.785 224 P CB 0.267 32.164 31.700 0.328 0.000 0.923 225 E N 0.535 120.808 120.200 0.122 0.000 2.481 225 E HA 0.173 4.522 4.350 -0.002 0.000 0.263 225 E C 1.172 177.803 176.600 0.052 0.000 0.992 225 E CA 1.150 57.596 56.400 0.078 0.000 0.938 225 E CB -0.204 29.551 29.700 0.092 0.000 0.933 225 E HN 0.780 nan 8.360 nan 0.000 0.453 226 G N 2.581 111.377 108.800 -0.006 0.000 2.279 226 G HA2 -0.282 3.677 3.960 -0.002 0.000 0.223 226 G HA3 -0.282 3.677 3.960 -0.002 0.000 0.223 226 G C -0.001 174.774 174.900 -0.209 0.000 1.015 226 G CA -0.406 44.620 45.100 -0.123 0.000 0.621 226 G HN 0.434 nan 8.290 nan 0.000 0.506 227 F N 2.464 122.380 119.950 -0.058 0.000 2.429 227 F HA 0.538 5.064 4.527 -0.002 0.000 0.348 227 F C 1.077 176.848 175.800 -0.049 0.000 1.109 227 F CA 0.437 58.399 58.000 -0.064 0.000 1.232 227 F CB 1.368 40.310 39.000 -0.098 0.000 1.157 227 F HN -0.078 nan 8.300 nan 0.000 0.564 228 T N 5.168 119.803 114.554 0.135 0.000 2.767 228 T HA 0.456 4.805 4.350 -0.002 0.000 0.288 228 T C -0.145 174.614 174.700 0.098 0.000 0.963 228 T CA -0.446 61.706 62.100 0.086 0.000 1.019 228 T CB 0.519 69.421 68.868 0.056 0.000 0.923 228 T HN 0.113 nan 8.240 nan 0.000 0.468 229 I N 3.302 123.911 120.570 0.065 0.000 2.437 229 I HA 0.415 4.583 4.170 -0.002 0.000 0.298 229 I C 0.566 176.713 176.117 0.050 0.000 0.984 229 I CA -0.999 60.333 61.300 0.053 0.000 1.214 229 I CB 1.399 39.416 38.000 0.029 0.000 1.365 229 I HN 0.480 nan 8.210 nan 0.000 0.469 230 R N 3.701 124.234 120.500 0.056 0.000 2.255 230 R HA 0.380 4.719 4.340 -0.002 0.000 0.326 230 R C -0.191 176.133 176.300 0.040 0.000 0.986 230 R CA -0.512 55.615 56.100 0.046 0.000 0.847 230 R CB 1.603 31.933 30.300 0.051 0.000 1.111 230 R HN 0.505 nan 8.270 nan 0.000 0.452 231 E N 4.016 124.235 120.200 0.032 0.000 2.113 231 E HA 0.191 4.540 4.350 -0.002 0.000 0.273 231 E C -0.907 175.707 176.600 0.022 0.000 0.924 231 E CA -0.535 55.882 56.400 0.029 0.000 0.764 231 E CB 1.255 30.972 29.700 0.029 0.000 1.104 231 E HN 0.237 nan 8.360 nan 0.000 0.406 232 M N 4.234 123.845 119.600 0.019 0.000 2.364 232 M HA 0.355 4.834 4.480 -0.002 0.000 0.334 232 M C -1.128 175.178 176.300 0.010 0.000 1.107 232 M CA -0.578 54.729 55.300 0.011 0.000 0.988 232 M CB 1.594 34.197 32.600 0.005 0.000 1.673 232 M HN 0.445 nan 8.290 nan 0.000 0.441 233 R N 2.115 122.619 120.500 0.007 0.000 2.337 233 R HA 0.578 4.917 4.340 -0.002 0.000 0.319 233 R C -0.110 176.191 176.300 0.001 0.000 0.954 233 R CA -0.129 55.976 56.100 0.009 0.000 0.840 233 R CB 1.385 31.692 30.300 0.012 0.000 1.164 233 R HN 0.998 nan 8.270 nan 0.000 0.472 234 G N 2.060 110.857 108.800 -0.005 0.000 2.695 234 G HA2 0.105 4.063 3.960 -0.002 0.000 0.213 234 G HA3 0.105 4.063 3.960 -0.002 0.000 0.213 234 G C -0.730 174.166 174.900 -0.007 0.000 1.406 234 G CA -0.538 44.554 45.100 -0.014 0.000 1.049 234 G HN 0.479 nan 8.290 nan 0.000 0.573 235 K N -0.006 120.386 120.400 -0.013 0.000 2.472 235 K HA 0.042 4.360 4.320 -0.002 0.000 0.280 235 K C 0.229 176.835 176.600 0.011 0.000 1.028 235 K CA -0.441 55.843 56.287 -0.005 0.000 1.045 235 K CB 0.086 32.578 32.500 -0.014 0.000 0.902 235 K HN 0.265 nan 8.250 nan 0.000 0.478 236 L N 4.480 125.712 121.223 0.015 0.000 2.667 236 L HA -0.003 4.335 4.340 -0.002 0.000 0.278 236 L C -0.739 176.160 176.870 0.048 0.000 1.217 236 L CA 1.113 55.969 54.840 0.027 0.000 0.935 236 L CB -0.169 41.897 42.059 0.012 0.000 1.193 236 L HN 0.681 nan 8.230 nan 0.000 0.493 237 A N 6.865 129.738 122.820 0.088 0.000 2.374 237 A HA 0.769 5.087 4.320 -0.002 0.000 0.305 237 A C -0.863 176.783 177.584 0.104 0.000 1.053 237 A CA -0.571 51.549 52.037 0.139 0.000 0.726 237 A CB 0.921 20.088 19.000 0.278 0.000 1.229 237 A HN 0.654 nan 8.150 nan 0.000 0.431 238 I N 2.285 122.850 120.570 -0.008 0.000 2.389 238 I HA 0.540 4.709 4.170 -0.002 0.000 0.288 238 I C 0.673 176.561 176.117 -0.381 0.000 0.999 238 I CA -0.521 60.680 61.300 -0.166 0.000 1.129 238 I CB 2.183 40.096 38.000 -0.146 0.000 1.288 238 I HN 0.728 nan 8.210 nan 0.000 0.444 239 G N 6.881 115.148 108.800 -0.889 0.000 2.400 239 G HA2 0.805 4.764 3.960 -0.002 0.000 0.333 239 G HA3 0.805 4.764 3.960 -0.002 0.000 0.333 239 G C -0.840 173.733 174.900 -0.545 0.000 1.143 239 G CA -0.473 43.810 45.100 -1.360 0.000 0.914 239 G HN 0.487 nan 8.290 nan 0.000 0.480 240 I N 1.445 121.882 120.570 -0.222 0.000 2.499 240 I HA 0.368 4.536 4.170 -0.002 0.000 0.288 240 I C 0.009 176.225 176.117 0.166 0.000 1.048 240 I CA -0.729 60.568 61.300 -0.006 0.000 1.062 240 I CB 2.601 40.584 38.000 -0.027 0.000 1.238 240 I HN 0.608 nan 8.210 nan 0.000 0.426 241 T N 2.576 117.307 114.554 0.295 0.000 2.885 241 T HA 0.910 5.258 4.350 -0.002 0.000 0.285 241 T C -0.618 174.222 174.700 0.233 0.000 1.019 241 T CA -0.754 61.512 62.100 0.277 0.000 1.010 241 T CB 2.327 71.492 68.868 0.496 0.000 1.022 241 T HN 0.728 nan 8.240 nan 0.000 0.466 242 A N 2.524 125.446 122.820 0.170 0.000 2.486 242 A HA 0.757 5.076 4.320 -0.002 0.000 0.300 242 A C -1.039 176.620 177.584 0.125 0.000 1.048 242 A CA -1.025 51.099 52.037 0.145 0.000 0.696 242 A CB 1.421 20.505 19.000 0.139 0.000 1.278 242 A HN 0.805 nan 8.150 nan 0.000 0.405 243 N N 1.010 119.722 118.700 0.020 0.000 2.354 243 N HA 0.618 5.357 4.740 -0.002 0.000 0.287 243 N C -1.650 173.749 175.510 -0.185 0.000 1.016 243 N CA 0.092 53.198 53.050 0.093 0.000 0.871 243 N CB 1.404 39.997 38.487 0.177 0.000 1.299 243 N HN 0.489 nan 8.380 nan 0.000 0.482 244 F N 0.221 120.321 119.950 0.251 0.000 2.470 244 F HA 0.372 4.898 4.527 -0.002 0.000 0.329 244 F C 0.881 176.777 175.800 0.160 0.000 1.072 244 F CA -1.019 57.069 58.000 0.146 0.000 0.989 244 F CB 0.891 39.951 39.000 0.100 0.000 1.193 244 F HN 0.018 nan 8.300 nan 0.000 0.481 245 V N 2.090 122.182 119.914 0.297 0.000 2.617 245 V HA -0.104 4.014 4.120 -0.002 0.000 0.304 245 V C 0.062 176.275 176.094 0.200 0.000 1.040 245 V CA 0.076 62.483 62.300 0.179 0.000 1.149 245 V CB -0.039 31.867 31.823 0.139 0.000 0.914 245 V HN 0.662 nan 8.190 nan 0.000 0.487 246 N N 4.379 123.080 118.700 0.000 0.000 2.546 246 N HA 0.375 5.114 4.740 -0.002 0.000 0.238 246 N C 0.122 175.640 175.510 0.014 0.000 0.984 246 N CA -0.022 52.929 53.050 -0.165 0.000 0.935 246 N CB 1.375 39.538 38.487 -0.539 0.000 1.122 246 N HN 0.747 nan 8.380 nan 0.000 0.510 247 G N 1.938 110.803 108.800 0.109 0.000 2.572 247 G HA2 0.205 4.163 3.960 -0.002 0.000 0.261 247 G HA3 0.205 4.163 3.960 -0.002 0.000 0.261 247 G C 0.288 175.235 174.900 0.077 0.000 1.197 247 G CA -0.542 44.606 45.100 0.082 0.000 0.870 247 G HN 0.609 nan 8.290 nan 0.000 0.548 248 R N 0.618 121.152 120.500 0.056 0.000 2.831 248 R HA 0.128 4.466 4.340 -0.002 0.000 0.337 248 R C 0.609 176.946 176.300 0.061 0.000 1.200 248 R CA -0.300 55.834 56.100 0.057 0.000 1.088 248 R CB -0.250 30.070 30.300 0.033 0.000 1.397 248 R HN 0.462 nan 8.270 nan 0.000 0.581 249 T N 0.913 115.510 114.554 0.071 0.000 2.903 249 T HA -0.054 4.295 4.350 -0.002 0.000 0.299 249 T C 2.034 176.770 174.700 0.060 0.000 1.041 249 T CA 0.038 62.173 62.100 0.059 0.000 1.138 249 T CB 0.634 69.539 68.868 0.062 0.000 1.040 249 T HN 0.038 nan 8.240 nan 0.000 0.524 250 V N 4.604 124.543 119.914 0.042 0.000 2.324 250 V HA -0.193 3.926 4.120 -0.002 0.000 0.250 250 V C 2.342 178.462 176.094 0.043 0.000 1.060 250 V CA 2.045 64.368 62.300 0.037 0.000 1.042 250 V CB -0.808 31.029 31.823 0.024 0.000 0.650 250 V HN 0.775 nan 8.190 nan 0.000 0.450 251 E N 0.492 120.715 120.200 0.038 0.000 2.058 251 E HA -0.204 4.144 4.350 -0.002 0.000 0.194 251 E C 2.203 178.831 176.600 0.048 0.000 0.997 251 E CA 1.551 57.969 56.400 0.031 0.000 0.801 251 E CB -0.414 29.296 29.700 0.016 0.000 0.746 251 E HN 0.688 nan 8.360 nan 0.000 0.450 252 E N -0.162 120.082 120.200 0.073 0.000 2.085 252 E HA -0.147 4.202 4.350 -0.002 0.000 0.194 252 E C 1.893 178.598 176.600 0.174 0.000 0.994 252 E CA 1.576 58.053 56.400 0.127 0.000 0.801 252 E CB -0.113 29.720 29.700 0.222 0.000 0.743 252 E HN 0.212 nan 8.360 nan 0.000 0.453 253 T N 0.993 115.628 114.554 0.134 0.000 2.962 253 T HA -0.088 4.260 4.350 -0.002 0.000 0.270 253 T C 1.501 176.263 174.700 0.103 0.000 1.088 253 T CA 0.736 62.908 62.100 0.121 0.000 1.127 253 T CB 0.047 68.961 68.868 0.077 0.000 0.883 253 T HN 0.058 nan 8.240 nan 0.000 0.493 254 Q N 0.632 120.482 119.800 0.084 0.000 2.360 254 Q HA 0.176 4.515 4.340 -0.002 0.000 0.202 254 Q C 0.294 176.343 176.000 0.081 0.000 0.915 254 Q CA 0.090 55.934 55.803 0.067 0.000 0.943 254 Q CB 0.140 28.904 28.738 0.044 0.000 1.064 254 Q HN 0.337 nan 8.270 nan 0.000 0.511 255 V N 4.952 124.933 119.914 0.111 0.000 2.439 255 V HA 0.095 4.213 4.120 -0.002 0.000 0.271 255 V C -1.838 174.372 176.094 0.194 0.000 1.040 255 V CA -1.048 61.330 62.300 0.131 0.000 1.002 255 V CB 0.360 32.247 31.823 0.107 0.000 1.000 255 V HN 0.123 nan 8.190 nan 0.000 0.477 256 P HA 0.189 nan 4.420 nan 0.000 0.272 256 P C -0.038 177.393 177.300 0.218 0.000 1.223 256 P CA -0.303 62.886 63.100 0.149 0.000 0.784 256 P CB 0.804 32.568 31.700 0.106 0.000 0.923 257 E N 0.797 121.063 120.200 0.110 0.000 2.392 257 E HA 0.257 4.606 4.350 -0.002 0.000 0.256 257 E C -0.201 176.449 176.600 0.083 0.000 1.145 257 E CA -0.288 56.117 56.400 0.008 0.000 0.929 257 E CB 0.388 30.063 29.700 -0.041 0.000 0.998 257 E HN 0.379 nan 8.360 nan 0.000 0.442 258 I N 1.819 122.417 120.570 0.047 0.000 2.437 258 I HA -0.017 4.152 4.170 -0.002 0.000 0.279 258 I C 1.087 177.181 176.117 -0.037 0.000 1.028 258 I CA -0.069 61.233 61.300 0.004 0.000 1.142 258 I CB 1.405 39.390 38.000 -0.026 0.000 1.266 258 I HN 0.482 nan 8.210 nan 0.000 0.461 259 S N 3.192 118.920 115.700 0.048 0.000 2.442 259 S HA 0.019 4.487 4.470 -0.002 0.000 0.236 259 S C 1.321 175.976 174.600 0.090 0.000 1.007 259 S CA 1.136 59.407 58.200 0.119 0.000 0.965 259 S CB 0.175 63.487 63.200 0.187 0.000 0.773 259 S HN 0.871 nan 8.310 nan 0.000 0.504 260 G N -0.300 108.503 108.800 0.005 0.000 4.137 260 G HA2 0.251 4.210 3.960 -0.002 0.000 0.194 260 G HA3 0.251 4.210 3.960 -0.002 0.000 0.194 260 G C 0.253 174.845 174.900 -0.514 0.000 0.891 260 G CA 0.190 45.212 45.100 -0.129 0.000 0.946 260 G HN 0.980 nan 8.290 nan 0.000 0.332 261 V N 0.622 120.009 119.914 -0.879 0.000 0.692 261 V HA 0.188 4.307 4.120 -0.002 0.000 0.092 261 V C 1.020 176.552 176.094 -0.937 0.000 0.767 261 V CA 2.227 64.055 62.300 -0.786 0.000 3.096 261 V CB -1.483 30.152 31.823 -0.313 0.000 0.181 261 V HN 2.775 nan 8.190 nan 0.000 0.060 262 A N -2.452 120.402 122.820 0.057 0.000 2.455 262 A HA 0.416 4.734 4.320 -0.002 0.000 0.663 262 A C -0.284 177.238 177.584 -0.104 0.000 0.274 262 A CA 0.206 52.149 52.037 -0.156 0.000 0.160 262 A CB -0.494 18.433 19.000 -0.121 0.000 3.802 262 A HN 1.677 nan 8.150 nan 0.000 0.544 263 R N -0.314 120.045 120.500 -0.235 0.000 2.995 263 R HA 0.602 4.941 4.340 -0.002 0.000 0.287 263 R C 1.658 178.034 176.300 0.128 0.000 1.168 263 R CA 0.338 56.412 56.100 -0.043 0.000 1.183 263 R CB -1.256 29.000 30.300 -0.074 0.000 1.157 263 R HN 1.597 nan 8.270 nan 0.000 0.577 264 I N -2.275 118.372 120.570 0.128 0.000 4.908 264 I HA -0.594 3.574 4.170 -0.002 0.000 0.038 264 I C 1.427 177.694 176.117 0.250 0.000 0.635 264 I CA 1.791 63.186 61.300 0.158 0.000 0.202 264 I CB -1.482 36.603 38.000 0.142 0.000 0.318 264 I HN 0.752 nan 8.210 nan 0.000 0.150 265 Y N 0.629 120.975 120.300 0.077 0.000 2.746 265 Y HA -0.455 4.093 4.550 -0.002 0.000 0.475 265 Y C 0.908 176.872 175.900 0.108 0.000 1.088 265 Y CA 2.243 60.398 58.100 0.091 0.000 2.897 265 Y CB -0.831 37.697 38.460 0.113 0.000 1.110 265 Y HN 0.675 nan 8.280 nan 0.000 0.609 266 N N 0.708 119.741 118.700 0.556 0.000 2.813 266 N HA 0.187 4.926 4.740 -0.002 0.000 0.282 266 N C 0.164 175.879 175.510 0.342 0.000 1.748 266 N CA 0.359 53.614 53.050 0.342 0.000 0.860 266 N CB 1.055 39.699 38.487 0.262 0.000 1.204 266 N HN 0.497 nan 8.380 nan 0.000 0.490 267 Q N 0.829 120.836 119.800 0.346 0.000 1.984 267 Q HA 0.044 4.383 4.340 -0.002 0.000 0.196 267 Q C 0.835 177.116 176.000 0.468 0.000 0.975 267 Q CA 0.976 57.045 55.803 0.443 0.000 0.827 267 Q CB 0.259 29.165 28.738 0.280 0.000 0.894 267 Q HN 0.046 nan 8.270 nan 0.000 0.438 268 K N 0.628 121.202 120.400 0.290 0.000 2.519 268 K HA -0.146 4.173 4.320 -0.002 0.000 0.196 268 K C 1.670 178.387 176.600 0.194 0.000 1.041 268 K CA 0.441 56.859 56.287 0.217 0.000 0.954 268 K CB -0.439 32.149 32.500 0.146 0.000 0.774 268 K HN 0.313 nan 8.250 nan 0.000 0.480 269 F N 1.063 121.042 119.950 0.048 0.000 2.147 269 F HA -0.279 4.246 4.527 -0.002 0.000 0.301 269 F C 1.597 177.268 175.800 -0.215 0.000 1.084 269 F CA 1.572 59.523 58.000 -0.082 0.000 1.268 269 F CB -0.301 38.552 39.000 -0.245 0.000 1.009 269 F HN -0.092 nan 8.300 nan 0.000 0.486 270 F N 0.200 120.166 119.950 0.026 0.000 2.367 270 F HA -0.097 4.428 4.527 -0.002 0.000 0.298 270 F C 2.551 178.231 175.800 -0.200 0.000 1.094 270 F CA 1.159 59.078 58.000 -0.135 0.000 1.409 270 F CB -0.946 38.072 39.000 0.030 0.000 1.064 270 F HN -0.002 nan 8.300 nan 0.000 0.528 271 Q N 0.240 120.071 119.800 0.051 0.000 1.985 271 Q HA -0.206 4.133 4.340 -0.002 0.000 0.207 271 Q C 2.429 178.354 176.000 -0.124 0.000 0.996 271 Q CA 2.344 58.140 55.803 -0.013 0.000 0.851 271 Q CB -0.394 28.367 28.738 0.038 0.000 0.921 271 Q HN 0.322 nan 8.270 nan 0.000 0.418 272 S N 1.112 116.728 115.700 -0.141 0.000 2.370 272 S HA -0.180 4.289 4.470 -0.002 0.000 0.226 272 S C 1.862 176.149 174.600 -0.522 0.000 1.033 272 S CA 1.153 59.273 58.200 -0.133 0.000 1.011 272 S CB -0.401 62.878 63.200 0.131 0.000 0.852 272 S HN 0.275 nan 8.310 nan 0.000 0.457 273 L N 1.570 122.160 121.223 -1.055 0.000 2.012 273 L HA -0.046 4.293 4.340 -0.002 0.000 0.210 273 L C 2.108 178.510 176.870 -0.780 0.000 1.073 273 L CA 1.502 55.409 54.840 -1.555 0.000 0.748 273 L CB -0.760 40.473 42.059 -1.377 0.000 0.891 273 L HN 0.259 nan 8.230 nan 0.000 0.431 274 L N 0.081 121.036 121.223 -0.446 0.000 2.012 274 L HA -0.132 4.207 4.340 -0.002 0.000 0.210 274 L C 1.395 178.137 176.870 -0.214 0.000 1.073 274 L CA 1.632 56.316 54.840 -0.259 0.000 0.748 274 L CB -0.815 41.159 42.059 -0.142 0.000 0.891 274 L HN 0.279 nan 8.230 nan 0.000 0.431 275 K N -0.551 119.734 120.400 -0.192 0.000 2.234 275 K HA 0.427 4.746 4.320 -0.002 0.000 0.282 275 K C 0.395 176.906 176.600 -0.148 0.000 1.039 275 K CA 0.696 56.905 56.287 -0.129 0.000 0.928 275 K CB 1.043 33.496 32.500 -0.079 0.000 1.039 275 K HN 0.344 nan 8.250 nan 0.000 0.470 276 A N 3.128 125.888 122.820 -0.101 0.000 2.986 276 A HA -0.158 4.161 4.320 -0.002 0.000 0.207 276 A C 1.257 178.781 177.584 -0.101 0.000 0.676 276 A CA 0.821 52.819 52.037 -0.066 0.000 1.852 276 A CB -1.710 17.284 19.000 -0.009 0.000 0.993 276 A HN 0.691 nan 8.150 nan 0.000 0.644 277 T N -2.635 111.811 114.554 -0.180 0.000 3.105 277 T HA 0.460 4.808 4.350 -0.002 0.000 0.257 277 T C 1.820 176.409 174.700 -0.185 0.000 0.949 277 T CA 1.973 63.950 62.100 -0.204 0.000 0.959 277 T CB 0.624 69.297 68.868 -0.326 0.000 1.205 277 T HN 2.440 nan 8.240 nan 0.000 0.496 278 G N 1.840 110.530 108.800 -0.184 0.000 2.159 278 G HA2 -0.201 3.757 3.960 -0.002 0.000 0.256 278 G HA3 -0.201 3.757 3.960 -0.002 0.000 0.256 278 G C 0.120 174.935 174.900 -0.143 0.000 0.977 278 G CA 0.146 45.167 45.100 -0.132 0.000 0.652 278 G HN 0.576 nan 8.290 nan 0.000 0.531 279 I N 1.400 121.824 120.570 -0.243 0.000 2.312 279 I HA 0.281 4.450 4.170 -0.002 0.000 0.291 279 I C -0.463 175.564 176.117 -0.151 0.000 1.031 279 I CA -0.532 60.605 61.300 -0.272 0.000 1.293 279 I CB 1.220 38.873 38.000 -0.578 0.000 1.403 279 I HN -0.034 nan 8.210 nan 0.000 0.484 280 D N 8.323 128.711 120.400 -0.019 0.000 2.373 280 D HA 0.457 5.096 4.640 -0.002 0.000 0.227 280 D C -0.761 175.597 176.300 0.096 0.000 1.091 280 D CA -0.187 53.829 54.000 0.027 0.000 0.840 280 D CB 0.971 41.785 40.800 0.023 0.000 1.060 280 D HN 0.324 nan 8.370 nan 0.000 0.502 281 L N 2.941 124.246 121.223 0.136 0.000 2.330 281 L HA 0.396 4.734 4.340 -0.002 0.000 0.271 281 L C 1.522 178.358 176.870 -0.057 0.000 1.013 281 L CA -0.719 54.219 54.840 0.162 0.000 0.816 281 L CB 2.017 44.287 42.059 0.352 0.000 1.287 281 L HN 0.356 nan 8.230 nan 0.000 0.435 282 E N 0.653 120.823 120.200 -0.050 0.000 2.140 282 E HA 0.053 4.401 4.350 -0.002 0.000 0.191 282 E C 0.185 176.629 176.600 -0.260 0.000 0.973 282 E CA 0.517 56.815 56.400 -0.171 0.000 0.829 282 E CB 0.475 30.167 29.700 -0.013 0.000 0.781 282 E HN 0.534 nan 8.360 nan 0.000 0.466 283 N N -0.377 118.325 118.700 0.002 0.000 2.708 283 N HA 0.439 5.178 4.740 -0.002 0.000 0.257 283 N C -1.932 173.763 175.510 0.309 0.000 1.373 283 N CA -0.491 52.637 53.050 0.130 0.000 0.843 283 N CB 2.097 40.649 38.487 0.109 0.000 1.503 283 N HN -0.085 nan 8.380 nan 0.000 0.504 284 I N 1.743 122.494 120.570 0.302 0.000 2.827 284 I HA 0.496 4.664 4.170 -0.002 0.000 0.298 284 I C -1.626 174.529 176.117 0.063 0.000 1.235 284 I CA -0.664 60.767 61.300 0.218 0.000 1.021 284 I CB 2.196 40.367 38.000 0.285 0.000 1.259 284 I HN 0.227 nan 8.210 nan 0.000 0.427 285 V N 5.898 125.821 119.914 0.016 0.000 2.760 285 V HA 0.378 4.496 4.120 -0.002 0.000 0.309 285 V C -1.549 174.429 176.094 -0.193 0.000 1.077 285 V CA -0.644 61.551 62.300 -0.175 0.000 0.910 285 V CB 2.026 33.645 31.823 -0.339 0.000 1.008 285 V HN 0.566 nan 8.190 nan 0.000 0.424 286 Y N 4.840 124.885 120.300 -0.425 0.000 2.328 286 Y HA 0.646 5.194 4.550 -0.002 0.000 0.333 286 Y C -1.359 174.280 175.900 -0.435 0.000 0.958 286 Y CA -1.531 56.191 58.100 -0.629 0.000 1.167 286 Y CB 1.136 39.261 38.460 -0.558 0.000 1.151 286 Y HN 0.599 nan 8.280 nan 0.000 0.470 287 Y N 5.465 125.433 120.300 -0.553 0.000 2.331 287 Y HA 0.350 4.898 4.550 -0.002 0.000 0.338 287 Y C 0.213 175.640 175.900 -0.789 0.000 0.992 287 Y CA -1.193 56.469 58.100 -0.730 0.000 1.121 287 Y CB 1.492 39.554 38.460 -0.663 0.000 1.184 287 Y HN 0.413 nan 8.280 nan 0.000 0.469 288 K N 4.469 124.533 120.400 -0.559 0.000 2.284 288 K HA 0.096 4.414 4.320 -0.002 0.000 0.287 288 K C -1.060 175.568 176.600 0.047 0.000 1.081 288 K CA 0.200 56.401 56.287 -0.143 0.000 0.910 288 K CB 0.451 32.947 32.500 -0.007 0.000 1.088 288 K HN 0.848 nan 8.250 nan 0.000 0.478 289 D N 1.728 122.155 120.400 0.046 0.000 3.603 289 D HA 0.069 4.707 4.640 -0.002 0.000 0.280 289 D C 0.438 176.769 176.300 0.053 0.000 1.435 289 D CA -0.279 53.789 54.000 0.114 0.000 1.005 289 D CB 0.989 41.830 40.800 0.069 0.000 1.321 289 D HN 0.407 nan 8.370 nan 0.000 0.639 290 E N -0.014 120.237 120.200 0.085 0.000 2.160 290 E HA -0.053 4.296 4.350 -0.002 0.000 0.195 290 E C 0.898 177.510 176.600 0.019 0.000 0.991 290 E CA 1.129 57.574 56.400 0.075 0.000 0.810 290 E CB -0.242 29.540 29.700 0.137 0.000 0.742 290 E HN 0.496 nan 8.360 nan 0.000 0.466 291 T N -1.448 113.124 114.554 0.031 0.000 2.926 291 T HA 0.347 4.696 4.350 -0.002 0.000 0.289 291 T C -0.063 174.663 174.700 0.043 0.000 1.054 291 T CA -0.909 61.207 62.100 0.026 0.000 1.015 291 T CB 1.518 70.451 68.868 0.108 0.000 1.167 291 T HN -0.035 nan 8.240 nan 0.000 0.526 292 H N 1.051 120.326 119.070 0.341 0.000 2.864 292 H HA 0.225 4.780 4.556 -0.002 0.000 0.281 292 H C -1.124 174.518 175.328 0.522 0.000 1.093 292 H CA -0.088 56.245 56.048 0.474 0.000 1.453 292 H CB -0.090 30.007 29.762 0.558 0.000 1.462 292 H HN 0.666 nan 8.280 nan 0.000 0.480 293 Y N 4.256 124.707 120.300 0.251 0.000 2.352 293 Y HA 0.396 4.945 4.550 -0.002 0.000 0.339 293 Y C -1.652 174.236 175.900 -0.021 0.000 0.992 293 Y CA -1.076 57.151 58.100 0.211 0.000 1.100 293 Y CB 0.750 39.291 38.460 0.135 0.000 1.192 293 Y HN 0.272 nan 8.280 nan 0.000 0.458 294 F N 5.491 125.290 119.950 -0.252 0.000 2.532 294 F HA 0.642 5.168 4.527 -0.002 0.000 0.321 294 F C -0.776 174.654 175.800 -0.617 0.000 1.089 294 F CA -1.128 56.694 58.000 -0.298 0.000 0.926 294 F CB 1.962 40.987 39.000 0.041 0.000 1.168 294 F HN 0.379 nan 8.300 nan 0.000 0.459 295 V N 6.063 125.832 119.914 -0.242 0.000 2.656 295 V HA 0.799 4.918 4.120 -0.002 0.000 0.307 295 V C -0.960 175.223 176.094 0.147 0.000 1.051 295 V CA -0.578 61.712 62.300 -0.016 0.000 0.893 295 V CB 1.775 33.681 31.823 0.138 0.000 0.999 295 V HN 0.790 nan 8.190 nan 0.000 0.426 296 M N 4.307 124.021 119.600 0.190 0.000 2.520 296 M HA 0.631 5.110 4.480 -0.002 0.000 0.283 296 M C -1.400 174.994 176.300 0.157 0.000 1.237 296 M CA -0.407 55.020 55.300 0.212 0.000 0.885 296 M CB 2.287 35.042 32.600 0.258 0.000 1.727 296 M HN 0.415 nan 8.290 nan 0.000 0.468 297 T N 2.264 116.929 114.554 0.185 0.000 2.758 297 T HA 0.761 5.110 4.350 -0.002 0.000 0.285 297 T C -0.471 174.304 174.700 0.124 0.000 0.981 297 T CA -0.466 61.715 62.100 0.135 0.000 0.965 297 T CB 1.163 70.179 68.868 0.247 0.000 0.927 297 T HN 0.742 nan 8.240 nan 0.000 0.448 298 A N 3.804 126.665 122.820 0.068 0.000 2.342 298 A HA 0.640 4.958 4.320 -0.002 0.000 0.323 298 A C -0.020 177.589 177.584 0.042 0.000 1.125 298 A CA -1.057 51.045 52.037 0.109 0.000 0.785 298 A CB 0.809 19.872 19.000 0.106 0.000 1.221 298 A HN 0.654 nan 8.150 nan 0.000 0.463 299 K N 2.227 122.665 120.400 0.063 0.000 2.451 299 K HA 0.001 4.320 4.320 -0.002 0.000 0.280 299 K C 0.827 177.432 176.600 0.008 0.000 1.020 299 K CA -0.108 56.197 56.287 0.031 0.000 1.008 299 K CB 1.183 33.703 32.500 0.034 0.000 0.917 299 K HN 0.862 nan 8.250 nan 0.000 0.478 300 K N 3.046 123.439 120.400 -0.012 0.000 2.074 300 K HA -0.296 4.022 4.320 -0.002 0.000 0.209 300 K C 1.984 178.573 176.600 -0.017 0.000 1.048 300 K CA 1.845 58.114 56.287 -0.029 0.000 0.926 300 K CB 0.064 32.548 32.500 -0.027 0.000 0.713 300 K HN 0.608 nan 8.250 nan 0.000 0.444 301 Q N 0.345 120.143 119.800 -0.002 0.000 2.152 301 Q HA -0.256 4.083 4.340 -0.002 0.000 0.206 301 Q C 2.268 178.277 176.000 0.015 0.000 0.985 301 Q CA 2.040 57.845 55.803 0.003 0.000 0.863 301 Q CB -0.322 28.419 28.738 0.005 0.000 0.904 301 Q HN 0.576 nan 8.270 nan 0.000 0.422 302 C N -0.181 119.139 119.300 0.033 0.000 2.486 302 C HA 0.019 4.478 4.460 -0.002 0.000 0.279 302 C C 2.526 177.572 174.990 0.094 0.000 1.302 302 C CA 0.399 59.462 59.018 0.076 0.000 1.720 302 C CB -1.071 26.738 27.740 0.115 0.000 2.030 302 C HN 0.656 nan 8.230 nan 0.000 0.490 303 L N 0.706 121.943 121.223 0.023 0.000 2.046 303 L HA -0.131 4.208 4.340 -0.002 0.000 0.208 303 L C 2.652 179.496 176.870 -0.044 0.000 1.077 303 L CA 1.485 56.278 54.840 -0.077 0.000 0.747 303 L CB -0.652 41.288 42.059 -0.198 0.000 0.896 303 L HN 0.370 nan 8.230 nan 0.000 0.432 304 L N -0.666 120.540 121.223 -0.029 0.000 2.027 304 L HA -0.197 4.142 4.340 -0.002 0.000 0.206 304 L C 2.861 179.731 176.870 0.001 0.000 1.074 304 L CA 1.239 56.067 54.840 -0.019 0.000 0.745 304 L CB -0.526 41.522 42.059 -0.019 0.000 0.898 304 L HN 0.197 nan 8.230 nan 0.000 0.433 305 R N 0.685 121.193 120.500 0.014 0.000 2.096 305 R HA -0.183 4.156 4.340 -0.002 0.000 0.240 305 R C 1.902 178.220 176.300 0.030 0.000 1.139 305 R CA 1.596 57.708 56.100 0.020 0.000 0.952 305 R CB -0.276 30.037 30.300 0.022 0.000 0.854 305 R HN 0.324 nan 8.270 nan 0.000 0.436 306 L N -0.157 121.102 121.223 0.059 0.000 2.627 306 L HA 0.220 4.559 4.340 -0.002 0.000 0.232 306 L C 1.052 177.959 176.870 0.063 0.000 1.150 306 L CA 0.431 55.320 54.840 0.082 0.000 0.917 306 L CB 0.456 42.618 42.059 0.171 0.000 1.104 306 L HN 0.639 nan 8.230 nan 0.000 0.445 307 G N -0.637 108.178 108.800 0.025 0.000 2.159 307 G HA2 -0.276 3.683 3.960 -0.002 0.000 0.256 307 G HA3 -0.276 3.683 3.960 -0.002 0.000 0.256 307 G C 0.707 175.597 174.900 -0.017 0.000 0.977 307 G CA 0.406 45.509 45.100 0.005 0.000 0.652 307 G HN 0.155 nan 8.290 nan 0.000 0.531 308 V N 0.023 119.914 119.914 -0.039 0.000 2.407 308 V HA 0.224 4.342 4.120 -0.002 0.000 0.245 308 V C 1.581 177.611 176.094 -0.106 0.000 1.041 308 V CA 1.769 64.009 62.300 -0.099 0.000 1.040 308 V CB -0.146 31.544 31.823 -0.222 0.000 0.671 308 V HN 0.403 nan 8.190 nan 0.000 0.455 309 L N 0.448 121.615 121.223 -0.093 0.000 2.329 309 L HA 0.445 4.783 4.340 -0.002 0.000 0.279 309 L C 1.224 178.062 176.870 -0.054 0.000 1.014 309 L CA -0.493 54.298 54.840 -0.082 0.000 0.814 309 L CB 1.719 43.727 42.059 -0.086 0.000 1.257 309 L HN 0.199 nan 8.230 nan 0.000 0.424 310 R N 1.357 121.828 120.500 -0.047 0.000 2.280 310 R HA 0.135 4.473 4.340 -0.002 0.000 0.195 310 R C -0.028 176.255 176.300 -0.028 0.000 0.935 310 R CA 0.013 56.093 56.100 -0.034 0.000 1.033 310 R CB 0.176 30.457 30.300 -0.032 0.000 0.964 310 R HN 0.758 nan 8.270 nan 0.000 0.489 311 Q N -0.288 119.493 119.800 -0.031 0.000 2.738 311 Q HA 0.202 4.541 4.340 -0.002 0.000 0.301 311 Q C -1.833 174.151 176.000 -0.027 0.000 0.901 311 Q CA -1.049 54.739 55.803 -0.025 0.000 0.756 311 Q CB 0.771 29.497 28.738 -0.020 0.000 1.463 311 Q HN -0.121 nan 8.270 nan 0.000 0.432 312 D N 1.585 121.972 120.400 -0.021 0.000 2.500 312 D HA 0.289 4.927 4.640 -0.002 0.000 0.219 312 D C -1.088 175.201 176.300 -0.018 0.000 1.137 312 D CA -0.274 53.714 54.000 -0.021 0.000 0.946 312 D CB 0.258 41.048 40.800 -0.016 0.000 1.022 312 D HN 0.346 nan 8.370 nan 0.000 0.518 313 L N 2.532 123.742 121.223 -0.021 0.000 2.312 313 L HA 0.211 4.549 4.340 -0.002 0.000 0.281 313 L C 2.081 178.943 176.870 -0.014 0.000 1.070 313 L CA -0.212 54.618 54.840 -0.016 0.000 0.805 313 L CB 0.927 42.975 42.059 -0.018 0.000 1.174 313 L HN 0.345 nan 8.230 nan 0.000 0.434 314 S N 1.610 117.305 115.700 -0.009 0.000 2.368 314 S HA -0.067 4.402 4.470 -0.002 0.000 0.225 314 S C 0.469 175.066 174.600 -0.005 0.000 1.030 314 S CA 0.446 58.642 58.200 -0.006 0.000 0.999 314 S CB -0.370 62.828 63.200 -0.004 0.000 0.844 314 S HN 0.670 nan 8.310 nan 0.000 0.459 315 E N 2.857 123.054 120.200 -0.004 0.000 2.129 315 E HA 0.160 4.508 4.350 -0.002 0.000 0.283 315 E C 1.070 177.667 176.600 -0.004 0.000 1.080 315 E CA 0.388 56.788 56.400 -0.001 0.000 0.867 315 E CB 0.742 30.443 29.700 0.002 0.000 1.056 315 E HN 0.558 nan 8.360 nan 0.000 0.404 316 T N 0.692 115.246 114.554 -0.001 0.000 2.737 316 T HA -0.284 4.065 4.350 -0.002 0.000 0.269 316 T C 1.203 175.899 174.700 -0.007 0.000 1.040 316 T CA 1.748 63.845 62.100 -0.005 0.000 1.142 316 T CB -0.330 68.541 68.868 0.006 0.000 0.861 316 T HN 0.486 nan 8.240 nan 0.000 0.456 317 D N 0.687 121.089 120.400 0.003 0.000 2.264 317 D HA -0.094 4.545 4.640 -0.002 0.000 0.208 317 D C 2.112 178.408 176.300 -0.008 0.000 0.966 317 D CA 0.934 54.937 54.000 0.004 0.000 0.864 317 D CB -0.497 40.314 40.800 0.018 0.000 0.933 317 D HN 0.451 nan 8.370 nan 0.000 0.499 318 Q N -0.856 118.938 119.800 -0.011 0.000 2.165 318 Q HA 0.181 4.519 4.340 -0.002 0.000 0.197 318 Q C 1.908 177.890 176.000 -0.030 0.000 0.952 318 Q CA 0.221 56.014 55.803 -0.017 0.000 0.848 318 Q CB -0.184 28.547 28.738 -0.012 0.000 0.931 318 Q HN 0.279 nan 8.270 nan 0.000 0.470 319 L N -0.014 121.190 121.223 -0.032 0.000 2.081 319 L HA -0.123 4.216 4.340 -0.002 0.000 0.212 319 L C 1.067 177.898 176.870 -0.066 0.000 1.080 319 L CA 1.782 56.595 54.840 -0.045 0.000 0.754 319 L CB -0.046 41.987 42.059 -0.042 0.000 0.893 319 L HN 0.251 nan 8.230 nan 0.000 0.433 320 L N -0.664 120.517 121.223 -0.070 0.000 2.741 320 L HA 0.346 4.685 4.340 -0.002 0.000 0.237 320 L C 1.062 177.873 176.870 -0.099 0.000 1.178 320 L CA -0.195 54.583 54.840 -0.103 0.000 0.973 320 L CB -0.764 41.224 42.059 -0.119 0.000 1.255 320 L HN 0.240 nan 8.230 nan 0.000 0.498 321 G N -0.226 108.533 108.800 -0.069 0.000 2.539 321 G HA2 0.107 4.066 3.960 -0.002 0.000 0.258 321 G HA3 0.107 4.066 3.960 -0.002 0.000 0.258 321 G C 0.713 175.573 174.900 -0.067 0.000 1.202 321 G CA -0.364 44.702 45.100 -0.057 0.000 0.851 321 G HN 0.039 nan 8.290 nan 0.000 0.556 322 K N 0.762 121.127 120.400 -0.059 0.000 2.089 322 K HA -0.216 4.102 4.320 -0.002 0.000 0.210 322 K C 2.764 179.333 176.600 -0.052 0.000 1.048 322 K CA 1.672 57.924 56.287 -0.059 0.000 0.926 322 K CB -0.235 32.239 32.500 -0.043 0.000 0.714 322 K HN 0.493 nan 8.250 nan 0.000 0.448 323 A N 1.054 123.849 122.820 -0.041 0.000 2.070 323 A HA -0.162 4.156 4.320 -0.002 0.000 0.220 323 A C 1.710 179.269 177.584 -0.041 0.000 1.159 323 A CA 1.470 53.486 52.037 -0.035 0.000 0.656 323 A CB -0.355 18.629 19.000 -0.026 0.000 0.800 323 A HN 0.414 nan 8.150 nan 0.000 0.453 324 N N -0.824 117.845 118.700 -0.050 0.000 2.250 324 N HA 0.087 4.825 4.740 -0.002 0.000 0.190 324 N C -0.625 174.844 175.510 -0.069 0.000 1.116 324 N CA 0.117 53.135 53.050 -0.054 0.000 0.881 324 N CB 0.580 39.036 38.487 -0.052 0.000 1.006 324 N HN 0.182 nan 8.380 nan 0.000 0.491 325 V N 2.258 122.123 119.914 -0.081 0.000 2.427 325 V HA 0.311 4.429 4.120 -0.002 0.000 0.286 325 V C 0.004 176.046 176.094 -0.086 0.000 1.034 325 V CA -0.603 61.637 62.300 -0.100 0.000 0.893 325 V CB 1.709 33.454 31.823 -0.130 0.000 0.982 325 V HN -0.160 nan 8.190 nan 0.000 0.452 326 V N 7.343 127.207 119.914 -0.084 0.000 2.333 326 V HA 0.238 4.356 4.120 -0.002 0.000 0.274 326 V C -1.524 174.525 176.094 -0.075 0.000 1.028 326 V CA -1.285 60.975 62.300 -0.066 0.000 0.851 326 V CB 1.315 33.110 31.823 -0.047 0.000 1.000 326 V HN 0.736 nan 8.190 nan 0.000 0.456 327 P HA -0.159 nan 4.420 nan 0.000 0.215 327 P C 1.606 178.852 177.300 -0.090 0.000 1.157 327 P CA 0.969 64.008 63.100 -0.102 0.000 0.868 327 P CB 0.531 32.173 31.700 -0.096 0.000 0.788 328 E N -0.066 120.102 120.200 -0.053 0.000 2.077 328 E HA -0.158 4.191 4.350 -0.002 0.000 0.193 328 E C 1.963 178.568 176.600 0.009 0.000 0.989 328 E CA 1.489 57.877 56.400 -0.020 0.000 0.800 328 E CB -1.008 28.689 29.700 -0.005 0.000 0.746 328 E HN 0.069 nan 8.360 nan 0.000 0.452 329 A N 0.908 123.730 122.820 0.002 0.000 1.898 329 A HA -0.120 4.198 4.320 -0.002 0.000 0.216 329 A C 2.312 179.931 177.584 0.058 0.000 1.181 329 A CA 1.242 53.298 52.037 0.032 0.000 0.620 329 A CB -0.797 18.208 19.000 0.009 0.000 0.819 329 A HN 0.421 nan 8.150 nan 0.000 0.442 330 L N -0.697 120.519 121.223 -0.013 0.000 2.042 330 L HA -0.280 4.059 4.340 -0.002 0.000 0.210 330 L C 2.777 179.692 176.870 0.075 0.000 1.076 330 L CA 2.064 56.882 54.840 -0.036 0.000 0.749 330 L CB -0.429 41.559 42.059 -0.119 0.000 0.893 330 L HN 0.546 nan 8.230 nan 0.000 0.432 331 Q N -0.845 118.974 119.800 0.031 0.000 2.049 331 Q HA -0.189 4.150 4.340 -0.002 0.000 0.198 331 Q C 2.258 178.479 176.000 0.367 0.000 0.971 331 Q CA 1.309 57.182 55.803 0.117 0.000 0.833 331 Q CB -0.047 28.647 28.738 -0.074 0.000 0.896 331 Q HN 0.452 nan 8.270 nan 0.000 0.434 332 R N -0.143 120.495 120.500 0.230 0.000 2.091 332 R HA -0.178 4.160 4.340 -0.002 0.000 0.238 332 R C 2.120 178.541 176.300 0.202 0.000 1.136 332 R CA 1.605 57.819 56.100 0.191 0.000 0.959 332 R CB -0.440 29.933 30.300 0.121 0.000 0.856 332 R HN 0.255 nan 8.270 nan 0.000 0.437 333 F N 1.132 121.121 119.950 0.065 0.000 2.075 333 F HA -0.199 4.327 4.527 -0.002 0.000 0.297 333 F C 2.372 178.205 175.800 0.055 0.000 1.113 333 F CA 1.635 59.656 58.000 0.034 0.000 1.218 333 F CB -0.239 38.771 39.000 0.016 0.000 0.984 333 F HN -0.005 nan 8.300 nan 0.000 0.472 334 A N 0.495 123.616 122.820 0.501 0.000 1.898 334 A HA -0.169 4.150 4.320 -0.002 0.000 0.216 334 A C 2.324 180.033 177.584 0.208 0.000 1.181 334 A CA 1.555 53.835 52.037 0.405 0.000 0.620 334 A CB -0.851 18.442 19.000 0.488 0.000 0.819 334 A HN 0.475 nan 8.150 nan 0.000 0.442 335 R N -0.611 120.039 120.500 0.250 0.000 2.081 335 R HA -0.115 4.223 4.340 -0.002 0.000 0.235 335 R C 2.375 178.558 176.300 -0.195 0.000 1.131 335 R CA 1.286 57.363 56.100 -0.038 0.000 0.960 335 R CB -0.336 29.983 30.300 0.032 0.000 0.856 335 R HN 0.496 nan 8.270 nan 0.000 0.436 336 A N 0.471 123.218 122.820 -0.122 0.000 1.898 336 A HA -0.090 4.228 4.320 -0.002 0.000 0.216 336 A C 2.271 179.724 177.584 -0.218 0.000 1.181 336 A CA 1.613 53.549 52.037 -0.168 0.000 0.620 336 A CB -0.570 18.332 19.000 -0.163 0.000 0.819 336 A HN 0.479 nan 8.150 nan 0.000 0.442 337 A N -0.142 122.516 122.820 -0.270 0.000 1.873 337 A HA 0.203 4.522 4.320 -0.002 0.000 0.215 337 A C 2.510 179.936 177.584 -0.262 0.000 1.186 337 A CA 2.009 53.892 52.037 -0.257 0.000 0.616 337 A CB -1.009 17.846 19.000 -0.241 0.000 0.823 337 A HN 0.999 nan 8.150 nan 0.000 0.442 338 A N 0.003 122.518 122.820 -0.508 0.000 1.873 338 A HA -0.190 4.129 4.320 -0.002 0.000 0.215 338 A C 1.822 178.990 177.584 -0.694 0.000 1.186 338 A CA 2.119 53.518 52.037 -1.064 0.000 0.616 338 A CB -0.816 17.188 19.000 -1.660 0.000 0.823 338 A HN 0.588 nan 8.150 nan 0.000 0.442 339 D N -1.575 118.508 120.400 -0.528 0.000 2.149 339 D HA -0.196 4.443 4.640 -0.002 0.000 0.198 339 D C 1.634 177.775 176.300 -0.266 0.000 0.990 339 D CA 1.589 55.363 54.000 -0.377 0.000 0.839 339 D CB -0.214 40.408 40.800 -0.297 0.000 0.948 339 D HN 0.443 nan 8.370 nan 0.000 0.460 340 F N 0.564 120.322 119.950 -0.319 0.000 2.128 340 F HA 0.045 4.570 4.527 -0.002 0.000 0.295 340 F C 2.152 177.745 175.800 -0.345 0.000 1.100 340 F CA 1.345 59.174 58.000 -0.285 0.000 1.260 340 F CB -0.346 38.481 39.000 -0.288 0.000 1.009 340 F HN 0.016 nan 8.300 nan 0.000 0.476 341 A N -0.409 122.428 122.820 0.030 0.000 2.024 341 A HA -0.195 4.124 4.320 -0.002 0.000 0.220 341 A C 1.992 179.353 177.584 -0.371 0.000 1.164 341 A CA 2.155 54.254 52.037 0.103 0.000 0.643 341 A CB -1.455 17.685 19.000 0.233 0.000 0.806 341 A HN 0.529 nan 8.150 nan 0.000 0.451 342 T N -5.828 108.476 114.554 -0.417 0.000 3.054 342 T HA 0.184 4.533 4.350 -0.002 0.000 0.255 342 T C 0.460 174.975 174.700 -0.308 0.000 1.035 342 T CA 0.472 62.362 62.100 -0.351 0.000 0.941 342 T CB -0.345 68.333 68.868 -0.316 0.000 1.026 342 T HN 0.593 nan 8.240 nan 0.000 0.533 343 H N 0.953 119.870 119.070 -0.255 0.000 2.820 343 H HA -0.194 4.360 4.556 -0.002 0.000 0.295 343 H C 1.629 176.828 175.328 -0.215 0.000 1.187 343 H CA 0.922 56.799 56.048 -0.284 0.000 1.144 343 H CB -2.035 27.587 29.762 -0.233 0.000 1.354 343 H HN 0.898 nan 8.280 nan 0.000 0.395 344 G N -0.208 108.491 108.800 -0.169 0.000 2.189 344 G HA2 -0.414 3.544 3.960 -0.002 0.000 0.267 344 G HA3 -0.414 3.544 3.960 -0.002 0.000 0.267 344 G C 1.190 176.011 174.900 -0.132 0.000 0.975 344 G CA 0.824 45.829 45.100 -0.158 0.000 0.644 344 G HN 0.537 nan 8.290 nan 0.000 0.537 345 K N -0.776 119.558 120.400 -0.111 0.000 2.486 345 K HA 0.236 4.555 4.320 -0.002 0.000 0.194 345 K C 1.856 178.392 176.600 -0.107 0.000 1.033 345 K CA 0.374 56.612 56.287 -0.081 0.000 1.004 345 K CB -0.000 32.478 32.500 -0.036 0.000 0.798 345 K HN 0.312 nan 8.250 nan 0.000 0.495 346 L N 0.157 121.268 121.223 -0.186 0.000 2.599 346 L HA 0.072 4.410 4.340 -0.002 0.000 0.230 346 L C 1.083 177.846 176.870 -0.177 0.000 1.141 346 L CA 0.974 55.671 54.840 -0.239 0.000 0.877 346 L CB -0.861 40.938 42.059 -0.434 0.000 1.009 346 L HN 0.356 nan 8.230 nan 0.000 0.447 347 G N -0.227 108.484 108.800 -0.148 0.000 2.584 347 G HA2 -0.318 3.640 3.960 -0.002 0.000 0.229 347 G HA3 -0.318 3.640 3.960 -0.002 0.000 0.229 347 G C 0.047 174.862 174.900 -0.142 0.000 1.320 347 G CA -0.262 44.771 45.100 -0.112 0.000 0.891 347 G HN 0.178 nan 8.290 nan 0.000 0.573 348 K N 0.215 120.554 120.400 -0.101 0.000 2.383 348 K HA 0.464 4.783 4.320 -0.002 0.000 0.286 348 K C 0.563 177.085 176.600 -0.130 0.000 1.051 348 K CA -0.242 55.979 56.287 -0.109 0.000 0.974 348 K CB 0.037 32.502 32.500 -0.057 0.000 0.968 348 K HN 0.411 nan 8.250 nan 0.000 0.475 349 L N 4.580 125.661 121.223 -0.237 0.000 2.331 349 L HA 0.168 4.506 4.340 -0.002 0.000 0.278 349 L C 0.194 177.013 176.870 -0.086 0.000 1.106 349 L CA -0.144 54.501 54.840 -0.324 0.000 0.824 349 L CB 0.798 42.304 42.059 -0.921 0.000 1.142 349 L HN 0.551 nan 8.230 nan 0.000 0.443 350 E N 3.656 123.919 120.200 0.106 0.000 2.176 350 E HA 0.308 4.657 4.350 -0.002 0.000 0.267 350 E C -0.799 175.976 176.600 0.292 0.000 0.893 350 E CA -0.679 55.834 56.400 0.190 0.000 0.761 350 E CB 1.763 31.549 29.700 0.145 0.000 1.133 350 E HN 0.230 nan 8.360 nan 0.000 0.409 351 F N 1.529 121.644 119.950 0.275 0.000 2.607 351 F HA 0.055 4.580 4.527 -0.002 0.000 0.374 351 F C 1.366 177.173 175.800 0.011 0.000 1.104 351 F CA 0.073 58.075 58.000 0.004 0.000 1.296 351 F CB 0.496 39.458 39.000 -0.063 0.000 1.085 351 F HN 0.431 nan 8.300 nan 0.000 0.584 352 A N 3.479 126.385 122.820 0.142 0.000 2.425 352 A HA 0.163 4.482 4.320 -0.002 0.000 0.242 352 A C 0.158 177.787 177.584 0.075 0.000 1.077 352 A CA -0.475 51.598 52.037 0.061 0.000 0.781 352 A CB 0.227 19.197 19.000 -0.050 0.000 1.020 352 A HN 0.814 nan 8.150 nan 0.000 0.494 353 Q N 1.300 121.126 119.800 0.042 0.000 2.735 353 Q HA 0.197 4.536 4.340 -0.002 0.000 0.380 353 Q C -0.329 175.707 176.000 0.059 0.000 1.060 353 Q CA 0.151 55.983 55.803 0.050 0.000 1.025 353 Q CB 0.035 28.803 28.738 0.051 0.000 1.350 353 Q HN 0.911 nan 8.270 nan 0.000 0.424 354 D N -0.406 120.043 120.400 0.081 0.000 8.628 354 D HA -0.304 4.335 4.640 -0.002 0.000 0.260 354 D C 0.557 176.929 176.300 0.121 0.000 2.259 354 D CA 0.889 54.960 54.000 0.119 0.000 1.986 354 D CB 0.246 41.089 40.800 0.071 0.000 0.929 354 D HN 0.351 nan 8.370 nan 0.000 0.691 355 A N 3.923 126.821 122.820 0.130 0.000 1.971 355 A HA -0.253 4.066 4.320 -0.002 0.000 0.222 355 A C 2.033 179.658 177.584 0.069 0.000 1.182 355 A CA 2.734 54.831 52.037 0.099 0.000 0.649 355 A CB -0.393 18.661 19.000 0.089 0.000 0.818 355 A HN 0.733 nan 8.150 nan 0.000 0.458 356 R N -2.139 118.395 120.500 0.057 0.000 2.546 356 R HA 0.360 4.699 4.340 -0.002 0.000 0.320 356 R C 1.006 177.325 176.300 0.031 0.000 1.021 356 R CA 0.912 57.036 56.100 0.039 0.000 1.088 356 R CB -0.688 29.630 30.300 0.031 0.000 1.278 356 R HN 1.051 nan 8.270 nan 0.000 0.557 357 G N 1.854 110.677 108.800 0.038 0.000 2.194 357 G HA2 -0.349 3.609 3.960 -0.002 0.000 0.236 357 G HA3 -0.349 3.609 3.960 -0.002 0.000 0.236 357 G C 0.218 175.129 174.900 0.018 0.000 0.987 357 G CA 0.214 45.332 45.100 0.031 0.000 0.635 357 G HN 0.529 nan 8.290 nan 0.000 0.520 358 R N 2.040 122.544 120.500 0.007 0.000 2.738 358 R HA 0.445 4.783 4.340 -0.002 0.000 0.268 358 R C -1.962 174.320 176.300 -0.029 0.000 1.062 358 R CA -0.806 55.281 56.100 -0.023 0.000 1.158 358 R CB 0.257 30.534 30.300 -0.038 0.000 1.046 358 R HN 0.127 nan 8.270 nan 0.000 0.493 359 P HA -0.072 nan 4.420 nan 0.000 0.261 359 P C -1.012 176.184 177.300 -0.173 0.000 1.183 359 P CA 0.396 63.411 63.100 -0.141 0.000 0.761 359 P CB 0.431 31.909 31.700 -0.372 0.000 0.785 360 D N 3.997 124.384 120.400 -0.021 0.000 2.608 360 D HA 0.184 4.823 4.640 -0.002 0.000 0.224 360 D C -0.376 175.949 176.300 0.042 0.000 1.123 360 D CA -0.046 53.979 54.000 0.041 0.000 1.030 360 D CB -0.561 40.301 40.800 0.104 0.000 1.093 360 D HN -0.009 nan 8.370 nan 0.000 0.497 361 V N -0.240 119.618 119.914 -0.093 0.000 2.914 361 V HA 1.016 5.134 4.120 -0.002 0.000 0.314 361 V C -0.090 175.971 176.094 -0.054 0.000 1.084 361 V CA -1.235 61.042 62.300 -0.038 0.000 0.963 361 V CB 1.519 33.235 31.823 -0.178 0.000 1.025 361 V HN 0.361 nan 8.190 nan 0.000 0.432 362 A N 1.352 124.159 122.820 -0.022 0.000 2.608 362 A HA 0.971 5.289 4.320 -0.002 0.000 0.292 362 A C -0.762 176.653 177.584 -0.282 0.000 1.066 362 A CA -0.156 51.760 52.037 -0.202 0.000 0.676 362 A CB 1.415 20.255 19.000 -0.267 0.000 1.277 362 A HN 2.151 nan 8.150 nan 0.000 0.413 363 A N 0.408 122.941 122.820 -0.478 0.000 2.324 363 A HA 0.930 5.248 4.320 -0.002 0.000 0.330 363 A C -1.077 176.109 177.584 -0.664 0.000 1.165 363 A CA -0.335 51.441 52.037 -0.436 0.000 0.813 363 A CB 0.416 19.225 19.000 -0.319 0.000 1.197 363 A HN 0.999 nan 8.150 nan 0.000 0.484 364 F N 0.020 119.838 119.950 -0.221 0.000 2.599 364 F HA 0.311 4.837 4.527 -0.002 0.000 0.311 364 F C -0.033 175.642 175.800 -0.208 0.000 1.076 364 F CA -0.649 57.244 58.000 -0.177 0.000 0.937 364 F CB 1.907 40.798 39.000 -0.182 0.000 1.282 364 F HN 0.565 nan 8.300 nan 0.000 0.460 365 D N 2.209 122.686 120.400 0.130 0.000 2.346 365 D HA 0.039 4.678 4.640 -0.002 0.000 0.267 365 D C 0.215 176.657 176.300 0.237 0.000 1.320 365 D CA 0.628 54.696 54.000 0.113 0.000 0.951 365 D CB -0.015 40.842 40.800 0.094 0.000 1.079 365 D HN 0.481 nan 8.370 nan 0.000 0.509 366 F N 2.088 122.016 119.950 -0.038 0.000 2.692 366 F HA -0.019 4.507 4.527 -0.002 0.000 0.303 366 F C 2.211 178.085 175.800 0.124 0.000 1.114 366 F CA -0.278 57.719 58.000 -0.005 0.000 1.361 366 F CB 0.714 39.756 39.000 0.069 0.000 1.063 366 F HN 0.364 nan 8.300 nan 0.000 0.550 367 T N -1.776 112.906 114.554 0.215 0.000 3.004 367 T HA 0.057 4.405 4.350 -0.002 0.000 0.243 367 T C 0.931 175.670 174.700 0.066 0.000 1.020 367 T CA 0.421 62.590 62.100 0.116 0.000 1.145 367 T CB -0.019 68.894 68.868 0.075 0.000 0.876 367 T HN -0.067 nan 8.240 nan 0.000 0.449 368 S N 2.831 118.569 115.700 0.063 0.000 2.430 368 S HA 0.531 4.999 4.470 -0.002 0.000 0.289 368 S C -0.466 174.160 174.600 0.044 0.000 1.143 368 S CA -0.464 57.763 58.200 0.044 0.000 1.067 368 S CB 0.632 63.858 63.200 0.042 0.000 0.964 368 S HN 0.374 nan 8.310 nan 0.000 0.485 369 M N 4.502 124.123 119.600 0.036 0.000 2.023 369 M HA 0.361 4.839 4.480 -0.002 0.000 0.325 369 M C -0.552 175.774 176.300 0.042 0.000 0.963 369 M CA -0.080 55.243 55.300 0.040 0.000 0.928 369 M CB 0.663 33.281 32.600 0.029 0.000 1.429 369 M HN 0.492 nan 8.290 nan 0.000 0.404 370 M N 2.873 122.503 119.600 0.050 0.000 2.241 370 M HA 0.438 4.917 4.480 -0.002 0.000 0.335 370 M C 0.072 176.410 176.300 0.064 0.000 1.122 370 M CA 0.352 55.682 55.300 0.051 0.000 1.164 370 M CB 0.854 33.482 32.600 0.047 0.000 1.459 370 M HN 0.407 nan 8.290 nan 0.000 0.461 371 R N 0.804 121.348 120.500 0.073 0.000 2.533 371 R HA 0.629 4.968 4.340 -0.002 0.000 0.288 371 R C -1.195 175.180 176.300 0.125 0.000 1.039 371 R CA -0.717 55.453 56.100 0.116 0.000 0.909 371 R CB 1.950 32.312 30.300 0.105 0.000 1.195 371 R HN 0.845 nan 8.270 nan 0.000 0.438 372 A N 1.518 124.418 122.820 0.134 0.000 2.407 372 A HA 0.081 4.400 4.320 -0.002 0.000 0.248 372 A C 1.020 178.732 177.584 0.213 0.000 1.082 372 A CA -0.239 51.860 52.037 0.103 0.000 0.785 372 A CB 0.535 19.522 19.000 -0.021 0.000 1.020 372 A HN 0.999 nan 8.150 nan 0.000 0.489 373 E N 0.534 120.840 120.200 0.177 0.000 2.110 373 E HA -0.093 4.256 4.350 -0.002 0.000 0.193 373 E C 0.675 177.430 176.600 0.259 0.000 0.988 373 E CA 1.296 57.811 56.400 0.192 0.000 0.804 373 E CB 0.062 29.834 29.700 0.121 0.000 0.745 373 E HN 0.784 nan 8.360 nan 0.000 0.458 374 S N -1.439 114.384 115.700 0.204 0.000 2.599 374 S HA 0.265 4.734 4.470 -0.002 0.000 0.287 374 S C 0.432 174.996 174.600 -0.061 0.000 1.105 374 S CA -0.247 58.037 58.200 0.140 0.000 0.899 374 S CB 1.705 64.981 63.200 0.127 0.000 1.100 374 S HN 0.086 nan 8.310 nan 0.000 0.482 375 S N 0.394 115.912 115.700 -0.303 0.000 2.524 375 S HA 0.581 5.050 4.470 -0.002 0.000 0.216 375 S C 0.602 175.175 174.600 -0.046 0.000 0.987 375 S CA 0.138 58.103 58.200 -0.391 0.000 0.909 375 S CB -0.365 62.473 63.200 -0.604 0.000 0.781 375 S HN 1.515 nan 8.310 nan 0.000 0.521 376 A N 0.733 123.645 122.820 0.152 0.000 2.609 376 A HA 0.862 5.180 4.320 -0.002 0.000 0.291 376 A C -0.810 176.818 177.584 0.073 0.000 1.096 376 A CA -1.157 50.990 52.037 0.184 0.000 0.684 376 A CB 1.303 20.308 19.000 0.008 0.000 1.282 376 A HN 0.308 nan 8.150 nan 0.000 0.412 377 R N -0.804 119.660 120.500 -0.059 0.000 2.766 377 R HA 0.734 5.072 4.340 -0.002 0.000 0.270 377 R C -1.852 174.336 176.300 -0.188 0.000 1.035 377 R CA -0.827 55.143 56.100 -0.218 0.000 0.911 377 R CB 2.075 32.042 30.300 -0.555 0.000 1.243 377 R HN 0.498 nan 8.270 nan 0.000 0.460 378 V N 1.325 121.164 119.914 -0.126 0.000 2.760 378 V HA 0.382 4.501 4.120 -0.002 0.000 0.309 378 V C -0.898 175.212 176.094 0.027 0.000 1.077 378 V CA -0.774 61.468 62.300 -0.095 0.000 0.910 378 V CB 2.160 33.927 31.823 -0.093 0.000 1.008 378 V HN 0.611 nan 8.190 nan 0.000 0.424 379 Q N 2.541 122.313 119.800 -0.047 0.000 2.356 379 Q HA 0.657 4.995 4.340 -0.002 0.000 0.270 379 Q C -1.095 175.035 176.000 0.217 0.000 1.058 379 Q CA -0.572 55.239 55.803 0.013 0.000 0.802 379 Q CB 3.292 31.858 28.738 -0.287 0.000 1.303 379 Q HN 0.797 nan 8.270 nan 0.000 0.444 380 E N 2.054 122.487 120.200 0.389 0.000 2.314 380 E HA 0.566 4.915 4.350 -0.002 0.000 0.272 380 E C -1.778 175.043 176.600 0.368 0.000 0.884 380 E CA -0.680 55.992 56.400 0.453 0.000 0.753 380 E CB 1.659 31.586 29.700 0.378 0.000 1.213 380 E HN 0.290 nan 8.360 nan 0.000 0.432 381 K N 2.049 122.615 120.400 0.277 0.000 2.561 381 K HA 0.245 4.563 4.320 -0.002 0.000 0.254 381 K C -1.223 175.333 176.600 -0.072 0.000 0.942 381 K CA -0.430 55.836 56.287 -0.034 0.000 0.818 381 K CB 0.638 33.031 32.500 -0.179 0.000 1.306 381 K HN 0.659 nan 8.250 nan 0.000 0.435 382 H N 2.415 121.468 119.070 -0.028 0.000 2.690 382 H HA -0.223 4.331 4.556 -0.003 0.000 0.309 382 H C 0.770 176.091 175.328 -0.012 0.000 1.138 382 H CA 1.873 57.898 56.048 -0.039 0.000 1.142 382 H CB -1.227 28.485 29.762 -0.083 0.000 1.410 382 H HN 1.159 nan 8.280 nan 0.000 0.409 383 G N -1.737 107.122 108.800 0.098 0.000 2.179 383 G HA2 -0.160 3.799 3.960 -0.002 0.000 0.260 383 G HA3 -0.160 3.799 3.960 -0.002 0.000 0.260 383 G C 0.399 175.371 174.900 0.121 0.000 0.977 383 G CA 0.363 45.521 45.100 0.096 0.000 0.641 383 G HN 1.202 nan 8.290 nan 0.000 0.533 384 A N 0.526 123.435 122.820 0.148 0.000 2.249 384 A HA 0.792 5.111 4.320 -0.002 0.000 0.314 384 A C 0.539 178.398 177.584 0.459 0.000 1.290 384 A CA -0.434 51.733 52.037 0.217 0.000 0.893 384 A CB 0.502 19.558 19.000 0.092 0.000 1.165 384 A HN 0.441 nan 8.150 nan 0.000 0.530 385 R N 1.194 121.949 120.500 0.424 0.000 2.404 385 R HA 0.548 4.887 4.340 -0.002 0.000 0.291 385 R C -1.102 175.432 176.300 0.391 0.000 1.025 385 R CA -0.629 55.751 56.100 0.466 0.000 0.991 385 R CB 1.375 31.944 30.300 0.449 0.000 1.053 385 R HN 0.571 nan 8.270 nan 0.000 0.479 386 L N 3.546 124.777 121.223 0.013 0.000 2.381 386 L HA 0.387 4.726 4.340 -0.002 0.000 0.274 386 L C -1.545 175.087 176.870 -0.398 0.000 0.988 386 L CA -0.920 53.710 54.840 -0.350 0.000 0.824 386 L CB 1.687 43.042 42.059 -1.173 0.000 1.263 386 L HN 0.477 nan 8.230 nan 0.000 0.410 387 L N 6.048 126.877 121.223 -0.657 0.000 2.276 387 L HA 0.597 4.935 4.340 -0.002 0.000 0.286 387 L C -1.333 175.254 176.870 -0.471 0.000 1.061 387 L CA 0.009 54.324 54.840 -0.874 0.000 0.807 387 L CB 0.783 41.838 42.059 -1.673 0.000 1.177 387 L HN 0.544 nan 8.230 nan 0.000 0.429 388 L N 5.136 126.187 121.223 -0.287 0.000 2.365 388 L HA 0.798 5.137 4.340 -0.002 0.000 0.273 388 L C 0.158 177.030 176.870 0.003 0.000 1.000 388 L CA -0.589 54.191 54.840 -0.100 0.000 0.819 388 L CB 1.530 43.630 42.059 0.068 0.000 1.284 388 L HN 0.748 nan 8.230 nan 0.000 0.418 389 G N 2.801 111.554 108.800 -0.079 0.000 2.638 389 G HA2 0.705 4.664 3.960 -0.002 0.000 0.302 389 G HA3 0.705 4.664 3.960 -0.002 0.000 0.302 389 G C -1.082 173.666 174.900 -0.254 0.000 1.365 389 G CA -0.554 44.474 45.100 -0.121 0.000 0.987 389 G HN 0.395 nan 8.290 nan 0.000 0.495 390 L N 0.957 121.969 121.223 -0.352 0.000 2.334 390 L HA 0.798 5.137 4.340 -0.002 0.000 0.275 390 L C -0.403 176.311 176.870 -0.261 0.000 1.036 390 L CA -1.183 53.414 54.840 -0.404 0.000 0.807 390 L CB 1.963 43.689 42.059 -0.554 0.000 1.231 390 L HN 0.175 nan 8.230 nan 0.000 0.438 391 V N 0.846 120.638 119.914 -0.205 0.000 2.808 391 V HA 0.877 4.996 4.120 -0.002 0.000 0.308 391 V C 0.329 176.359 176.094 -0.107 0.000 1.099 391 V CA 0.183 62.400 62.300 -0.138 0.000 0.920 391 V CB 1.484 33.239 31.823 -0.113 0.000 1.014 391 V HN 1.090 nan 8.190 nan 0.000 0.425 392 G N 4.019 112.775 108.800 -0.073 0.000 2.482 392 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.214 392 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.214 392 G C 0.140 175.022 174.900 -0.031 0.000 1.271 392 G CA 0.280 45.352 45.100 -0.045 0.000 0.944 392 G HN 0.632 nan 8.290 nan 0.000 0.568 393 D N -0.161 120.231 120.400 -0.014 0.000 2.239 393 D HA -0.161 4.477 4.640 -0.002 0.000 0.202 393 D C 2.552 178.860 176.300 0.014 0.000 0.993 393 D CA 2.391 56.404 54.000 0.021 0.000 0.874 393 D CB -0.538 40.290 40.800 0.046 0.000 0.922 393 D HN 1.000 nan 8.370 nan 0.000 0.464 394 C N -0.849 118.437 119.300 -0.023 0.000 2.481 394 C HA 0.209 4.668 4.460 -0.002 0.000 0.275 394 C C 2.303 177.234 174.990 -0.099 0.000 1.419 394 C CA -0.450 58.536 59.018 -0.052 0.000 1.773 394 C CB -1.142 26.549 27.740 -0.081 0.000 1.862 394 C HN 0.202 nan 8.230 nan 0.000 0.530 395 L N 1.456 122.620 121.223 -0.097 0.000 2.121 395 L HA 0.443 4.781 4.340 -0.002 0.000 0.200 395 L C 0.655 177.542 176.870 0.028 0.000 1.077 395 L CA 1.624 56.398 54.840 -0.110 0.000 0.766 395 L CB -0.076 41.884 42.059 -0.166 0.000 0.931 395 L HN 0.221 nan 8.230 nan 0.000 0.452 396 V N 1.055 121.006 119.914 0.062 0.000 2.482 396 V HA 0.280 4.399 4.120 -0.002 0.000 0.295 396 V C -0.513 175.628 176.094 0.078 0.000 1.026 396 V CA -0.857 61.506 62.300 0.104 0.000 0.856 396 V CB 1.533 33.440 31.823 0.139 0.000 1.001 396 V HN 0.264 nan 8.190 nan 0.000 0.424 397 E N 7.406 127.654 120.200 0.080 0.000 2.290 397 E HA 0.298 4.646 4.350 -0.002 0.000 0.277 397 E C -2.310 174.356 176.600 0.111 0.000 1.035 397 E CA -1.407 55.047 56.400 0.091 0.000 0.873 397 E CB 1.249 30.996 29.700 0.078 0.000 1.029 397 E HN 0.414 nan 8.360 nan 0.000 0.419 398 P HA 0.090 nan 4.420 nan 0.000 0.282 398 P C -1.034 176.371 177.300 0.175 0.000 1.249 398 P CA -0.311 62.899 63.100 0.183 0.000 0.806 398 P CB 0.403 32.224 31.700 0.201 0.000 0.984 399 F N 3.103 123.050 119.950 -0.006 0.000 2.375 399 F HA 0.239 4.765 4.527 -0.002 0.000 0.362 399 F C 0.553 176.302 175.800 -0.086 0.000 1.129 399 F CA -0.502 57.388 58.000 -0.182 0.000 1.154 399 F CB 0.230 39.151 39.000 -0.131 0.000 1.205 399 F HN 0.273 nan 8.300 nan 0.000 0.513 400 W N 4.704 125.484 121.300 -0.867 0.000 2.318 400 W HA -0.132 4.526 4.660 -0.003 0.000 0.313 400 W C -0.466 175.785 176.519 -0.447 0.000 1.221 400 W CA 1.128 58.129 57.345 -0.575 0.000 1.266 400 W CB -2.447 26.721 29.460 -0.487 0.000 1.150 400 W HN 0.432 nan 8.180 nan 0.000 0.496 401 P HA -0.107 nan 4.420 nan 0.000 0.228 401 P C 1.520 178.846 177.300 0.042 0.000 1.151 401 P CA 1.406 64.412 63.100 -0.157 0.000 0.770 401 P CB -0.333 31.251 31.700 -0.194 0.000 0.786 402 L N -2.726 118.569 121.223 0.120 0.000 2.592 402 L HA 0.302 4.640 4.340 -0.002 0.000 0.227 402 L C 1.213 178.232 176.870 0.247 0.000 1.127 402 L CA 0.418 55.411 54.840 0.254 0.000 0.884 402 L CB -0.800 41.487 42.059 0.381 0.000 1.065 402 L HN 0.053 nan 8.230 nan 0.000 0.457 403 G N 0.380 109.317 108.800 0.228 0.000 2.225 403 G HA2 -0.266 3.693 3.960 -0.002 0.000 0.264 403 G HA3 -0.266 3.693 3.960 -0.002 0.000 0.264 403 G C 0.608 175.752 174.900 0.406 0.000 1.060 403 G CA 0.610 45.898 45.100 0.313 0.000 0.833 403 G HN 0.242 nan 8.290 nan 0.000 0.498 404 T N -1.086 113.623 114.554 0.258 0.000 3.023 404 T HA 0.328 4.677 4.350 -0.002 0.000 0.253 404 T C 2.432 177.070 174.700 -0.104 0.000 1.038 404 T CA 1.381 63.577 62.100 0.159 0.000 0.962 404 T CB -0.061 68.980 68.868 0.287 0.000 1.018 404 T HN 0.790 nan 8.240 nan 0.000 0.521 405 G N 1.266 110.021 108.800 -0.075 0.000 2.480 405 G HA2 -0.182 3.777 3.960 -0.002 0.000 0.216 405 G HA3 -0.182 3.777 3.960 -0.002 0.000 0.216 405 G C 1.571 176.311 174.900 -0.267 0.000 1.200 405 G CA 1.212 46.233 45.100 -0.132 0.000 0.782 405 G HN 0.427 nan 8.290 nan 0.000 0.554 406 V N 1.541 121.211 119.914 -0.406 0.000 2.343 406 V HA -0.093 4.026 4.120 -0.002 0.000 0.247 406 V C 3.315 178.952 176.094 -0.761 0.000 1.051 406 V CA 2.040 63.955 62.300 -0.642 0.000 1.036 406 V CB -0.880 30.465 31.823 -0.796 0.000 0.654 406 V HN 0.511 nan 8.190 nan 0.000 0.451 407 A N 0.448 122.762 122.820 -0.844 0.000 1.845 407 A HA -0.195 4.124 4.320 -0.002 0.000 0.215 407 A C 2.352 179.669 177.584 -0.445 0.000 1.195 407 A CA 1.657 53.107 52.037 -0.978 0.000 0.616 407 A CB -0.473 17.285 19.000 -2.070 0.000 0.832 407 A HN 0.485 nan 8.150 nan 0.000 0.443 408 R N -0.677 119.567 120.500 -0.427 0.000 2.148 408 R HA -0.060 4.278 4.340 -0.002 0.000 0.227 408 R C 2.216 178.469 176.300 -0.077 0.000 1.103 408 R CA 1.015 57.017 56.100 -0.165 0.000 0.983 408 R CB -0.616 29.637 30.300 -0.077 0.000 0.874 408 R HN 0.530 nan 8.270 nan 0.000 0.451 409 G N 0.669 109.415 108.800 -0.091 0.000 2.403 409 G HA2 -0.197 3.762 3.960 -0.002 0.000 0.216 409 G HA3 -0.197 3.762 3.960 -0.002 0.000 0.216 409 G C 1.064 176.007 174.900 0.072 0.000 1.154 409 G CA 0.101 45.196 45.100 -0.008 0.000 0.784 409 G HN 0.103 nan 8.290 nan 0.000 0.538 410 F N 0.863 120.647 119.950 -0.276 0.000 2.186 410 F HA 0.154 4.680 4.527 -0.002 0.000 0.299 410 F C 2.587 177.867 175.800 -0.866 0.000 1.090 410 F CA 0.176 57.901 58.000 -0.458 0.000 1.307 410 F CB -0.625 38.195 39.000 -0.299 0.000 1.019 410 F HN 0.031 nan 8.300 nan 0.000 0.489 411 L N -0.830 120.208 121.223 -0.309 0.000 2.056 411 L HA -0.180 4.159 4.340 -0.002 0.000 0.207 411 L C 2.677 179.452 176.870 -0.159 0.000 1.078 411 L CA 1.152 55.786 54.840 -0.343 0.000 0.749 411 L CB -0.961 41.054 42.059 -0.073 0.000 0.901 411 L HN 0.096 nan 8.230 nan 0.000 0.433 412 A N 0.085 122.859 122.820 -0.076 0.000 1.902 412 A HA -0.204 4.115 4.320 -0.002 0.000 0.217 412 A C 2.537 180.101 177.584 -0.034 0.000 1.181 412 A CA 1.785 53.810 52.037 -0.020 0.000 0.623 412 A CB -0.743 18.239 19.000 -0.029 0.000 0.818 412 A HN 0.410 nan 8.150 nan 0.000 0.443 413 A N -0.558 122.207 122.820 -0.092 0.000 1.883 413 A HA -0.113 4.205 4.320 -0.002 0.000 0.217 413 A C 2.099 179.784 177.584 0.169 0.000 1.186 413 A CA 1.573 53.592 52.037 -0.031 0.000 0.624 413 A CB -0.969 17.965 19.000 -0.109 0.000 0.822 413 A HN 0.598 nan 8.150 nan 0.000 0.444 414 F N -0.049 119.919 119.950 0.030 0.000 2.134 414 F HA -0.201 4.324 4.527 -0.003 0.000 0.299 414 F C 2.163 178.022 175.800 0.098 0.000 1.097 414 F CA 0.688 58.719 58.000 0.050 0.000 1.264 414 F CB -0.339 38.662 39.000 0.002 0.000 1.001 414 F HN 0.192 nan 8.300 nan 0.000 0.479 415 D N 0.626 121.187 120.400 0.268 0.000 2.149 415 D HA -0.088 4.550 4.640 -0.002 0.000 0.201 415 D C 2.242 178.679 176.300 0.228 0.000 0.972 415 D CA 1.158 55.307 54.000 0.248 0.000 0.835 415 D CB -0.411 40.508 40.800 0.199 0.000 0.966 415 D HN 0.209 nan 8.370 nan 0.000 0.476 416 A N 0.960 123.864 122.820 0.139 0.000 1.898 416 A HA 0.010 4.328 4.320 -0.002 0.000 0.216 416 A C 2.287 179.929 177.584 0.096 0.000 1.181 416 A CA 1.941 54.021 52.037 0.073 0.000 0.620 416 A CB -0.602 18.397 19.000 -0.002 0.000 0.819 416 A HN 0.221 nan 8.150 nan 0.000 0.442 417 A N -1.209 121.701 122.820 0.151 0.000 1.898 417 A HA -0.169 4.149 4.320 -0.002 0.000 0.216 417 A C 2.109 179.810 177.584 0.195 0.000 1.181 417 A CA 1.296 53.426 52.037 0.155 0.000 0.620 417 A CB -0.914 18.201 19.000 0.192 0.000 0.819 417 A HN 0.861 nan 8.150 nan 0.000 0.442 418 W N 0.355 121.693 121.300 0.064 0.000 2.358 418 W HA -0.216 4.444 4.660 -0.001 0.000 0.303 418 W C 2.080 178.631 176.519 0.054 0.000 1.208 418 W CA 2.009 59.382 57.345 0.047 0.000 1.274 418 W CB -0.237 29.255 29.460 0.054 0.000 1.138 418 W HN 0.444 nan 8.180 nan 0.000 0.515 419 M N 0.557 120.251 119.600 0.155 0.000 2.159 419 M HA -0.207 4.272 4.480 -0.002 0.000 0.263 419 M C 1.710 178.007 176.300 -0.004 0.000 1.063 419 M CA 1.907 57.231 55.300 0.040 0.000 1.110 419 M CB -0.568 32.077 32.600 0.076 0.000 1.374 419 M HN -0.171 nan 8.290 nan 0.000 0.411 420 V N 0.917 120.833 119.914 0.004 0.000 2.358 420 V HA -0.283 3.836 4.120 -0.002 0.000 0.246 420 V C 2.402 178.533 176.094 0.061 0.000 1.047 420 V CA 2.066 64.383 62.300 0.029 0.000 1.035 420 V CB -0.944 30.881 31.823 0.003 0.000 0.658 420 V HN 0.542 nan 8.190 nan 0.000 0.452 421 K N -0.075 120.301 120.400 -0.040 0.000 2.059 421 K HA -0.259 4.060 4.320 -0.002 0.000 0.212 421 K C 2.455 178.947 176.600 -0.180 0.000 1.050 421 K CA 1.642 57.847 56.287 -0.136 0.000 0.927 421 K CB -0.100 32.215 32.500 -0.307 0.000 0.714 421 K HN 0.256 nan 8.250 nan 0.000 0.447 422 R N 0.094 120.441 120.500 -0.256 0.000 2.075 422 R HA -0.159 4.179 4.340 -0.002 0.000 0.232 422 R C 2.050 178.332 176.300 -0.029 0.000 1.126 422 R CA 1.261 57.233 56.100 -0.213 0.000 0.963 422 R CB -0.953 29.210 30.300 -0.228 0.000 0.858 422 R HN 0.581 nan 8.270 nan 0.000 0.435 423 W N 1.579 122.791 121.300 -0.146 0.000 2.335 423 W HA -0.205 4.456 4.660 0.000 0.000 0.311 423 W C 1.705 178.174 176.519 -0.082 0.000 1.213 423 W CA 1.903 59.187 57.345 -0.101 0.000 1.274 423 W CB -0.182 29.230 29.460 -0.079 0.000 1.148 423 W HN 0.107 nan 8.180 nan 0.000 0.498 424 A N 0.453 123.342 122.820 0.115 0.000 2.067 424 A HA -0.193 4.126 4.320 -0.002 0.000 0.219 424 A C 1.761 179.298 177.584 -0.077 0.000 1.158 424 A CA 1.627 53.666 52.037 0.004 0.000 0.661 424 A CB -0.707 18.334 19.000 0.068 0.000 0.801 424 A HN 0.513 nan 8.150 nan 0.000 0.452 425 E N -1.859 118.285 120.200 -0.094 0.000 2.442 425 E HA 0.208 4.557 4.350 -0.002 0.000 0.195 425 E C 1.196 177.724 176.600 -0.120 0.000 1.030 425 E CA 0.361 56.700 56.400 -0.102 0.000 0.869 425 E CB 0.005 29.634 29.700 -0.118 0.000 0.857 425 E HN 0.731 nan 8.360 nan 0.000 0.505 426 G N 1.124 109.822 108.800 -0.169 0.000 2.179 426 G HA2 -0.260 3.699 3.960 -0.002 0.000 0.220 426 G HA3 -0.260 3.699 3.960 -0.002 0.000 0.220 426 G C 0.421 175.217 174.900 -0.172 0.000 0.990 426 G CA -0.099 44.884 45.100 -0.196 0.000 0.646 426 G HN 0.449 nan 8.290 nan 0.000 0.517 427 A N 0.510 123.249 122.820 -0.135 0.000 2.555 427 A HA 0.570 4.889 4.320 -0.002 0.000 0.233 427 A C 1.419 178.934 177.584 -0.115 0.000 1.060 427 A CA 1.139 53.121 52.037 -0.091 0.000 0.759 427 A CB 0.100 19.067 19.000 -0.054 0.000 0.995 427 A HN 1.911 nan 8.150 nan 0.000 0.506 428 G N 1.756 110.508 108.800 -0.079 0.000 2.491 428 G HA2 0.361 4.319 3.960 -0.002 0.000 0.238 428 G HA3 0.361 4.319 3.960 -0.002 0.000 0.238 428 G C -1.413 173.438 174.900 -0.081 0.000 1.277 428 G CA -0.523 44.526 45.100 -0.086 0.000 0.851 428 G HN 0.495 nan 8.290 nan 0.000 0.573 429 P HA -0.173 nan 4.420 nan 0.000 0.216 429 P C 2.165 179.394 177.300 -0.119 0.000 1.157 429 P CA 0.972 63.965 63.100 -0.178 0.000 0.880 429 P CB 0.113 31.336 31.700 -0.795 0.000 0.791 430 L N -0.956 120.219 121.223 -0.080 0.000 2.046 430 L HA -0.204 4.135 4.340 -0.002 0.000 0.208 430 L C 2.576 179.465 176.870 0.032 0.000 1.077 430 L CA 1.583 56.439 54.840 0.026 0.000 0.747 430 L CB -0.822 41.290 42.059 0.087 0.000 0.896 430 L HN 0.043 nan 8.230 nan 0.000 0.432 431 E N 0.055 120.269 120.200 0.023 0.000 2.031 431 E HA -0.194 4.155 4.350 -0.002 0.000 0.193 431 E C 2.229 178.858 176.600 0.048 0.000 0.994 431 E CA 1.545 57.965 56.400 0.033 0.000 0.800 431 E CB 0.082 29.791 29.700 0.016 0.000 0.752 431 E HN 0.190 nan 8.360 nan 0.000 0.447 432 V N 1.283 121.229 119.914 0.054 0.000 2.252 432 V HA -0.313 3.805 4.120 -0.002 0.000 0.249 432 V C 2.481 178.619 176.094 0.073 0.000 1.056 432 V CA 1.829 64.179 62.300 0.083 0.000 1.022 432 V CB -0.541 31.383 31.823 0.169 0.000 0.641 432 V HN 0.360 nan 8.190 nan 0.000 0.445 433 L N -0.270 120.984 121.223 0.051 0.000 2.027 433 L HA -0.150 4.189 4.340 -0.002 0.000 0.206 433 L C 2.738 179.645 176.870 0.062 0.000 1.074 433 L CA 1.564 56.429 54.840 0.042 0.000 0.745 433 L CB -0.771 41.302 42.059 0.024 0.000 0.898 433 L HN 0.379 nan 8.230 nan 0.000 0.433 434 A N -0.099 122.759 122.820 0.063 0.000 1.902 434 A HA -0.278 4.041 4.320 -0.002 0.000 0.217 434 A C 2.241 179.872 177.584 0.079 0.000 1.181 434 A CA 2.013 54.090 52.037 0.066 0.000 0.623 434 A CB -0.523 18.512 19.000 0.058 0.000 0.818 434 A HN 0.526 nan 8.150 nan 0.000 0.443 435 E N -0.566 119.690 120.200 0.094 0.000 2.072 435 E HA -0.248 4.101 4.350 -0.002 0.000 0.191 435 E C 2.200 178.885 176.600 0.142 0.000 0.985 435 E CA 1.249 57.724 56.400 0.126 0.000 0.801 435 E CB -0.139 29.659 29.700 0.164 0.000 0.750 435 E HN 0.408 nan 8.360 nan 0.000 0.452 436 R N 0.971 121.553 120.500 0.137 0.000 2.103 436 R HA -0.161 4.177 4.340 -0.002 0.000 0.242 436 R C 2.050 178.429 176.300 0.133 0.000 1.142 436 R CA 1.979 58.160 56.100 0.135 0.000 0.960 436 R CB -0.264 30.093 30.300 0.094 0.000 0.858 436 R HN 0.202 nan 8.270 nan 0.000 0.439 437 E N -0.222 120.051 120.200 0.122 0.000 2.152 437 E HA -0.033 4.316 4.350 -0.002 0.000 0.192 437 E C 1.989 178.655 176.600 0.109 0.000 0.983 437 E CA 1.188 57.682 56.400 0.156 0.000 0.818 437 E CB -0.051 29.726 29.700 0.128 0.000 0.758 437 E HN 0.320 nan 8.360 nan 0.000 0.467 438 S N 1.108 116.848 115.700 0.067 0.000 2.382 438 S HA -0.074 4.395 4.470 -0.002 0.000 0.228 438 S C 2.106 176.685 174.600 -0.035 0.000 1.027 438 S CA 0.688 58.897 58.200 0.015 0.000 0.991 438 S CB -0.125 63.088 63.200 0.022 0.000 0.823 438 S HN 0.203 nan 8.310 nan 0.000 0.469 439 L N -0.326 120.896 121.223 -0.002 0.000 2.072 439 L HA -0.062 4.276 4.340 -0.002 0.000 0.205 439 L C 2.372 179.211 176.870 -0.051 0.000 1.079 439 L CA 1.234 56.023 54.840 -0.085 0.000 0.752 439 L CB -0.554 41.527 42.059 0.038 0.000 0.906 439 L HN 0.298 nan 8.230 nan 0.000 0.436 440 Y N 1.381 121.641 120.300 -0.067 0.000 2.315 440 Y HA -0.268 4.281 4.550 -0.002 0.000 0.288 440 Y C 2.549 178.409 175.900 -0.067 0.000 1.154 440 Y CA 1.306 59.377 58.100 -0.048 0.000 1.229 440 Y CB -0.432 38.023 38.460 -0.007 0.000 0.980 440 Y HN 0.257 nan 8.280 nan 0.000 0.540 441 Q N -0.435 119.237 119.800 -0.213 0.000 2.291 441 Q HA -0.151 4.188 4.340 -0.002 0.000 0.206 441 Q C 2.040 177.883 176.000 -0.261 0.000 0.976 441 Q CA 1.424 57.060 55.803 -0.279 0.000 0.875 441 Q CB -0.145 28.497 28.738 -0.160 0.000 0.927 441 Q HN 0.512 nan 8.270 nan 0.000 0.450 442 L N -0.225 120.843 121.223 -0.258 0.000 2.418 442 L HA -0.089 4.249 4.340 -0.002 0.000 0.218 442 L C 2.084 178.866 176.870 -0.146 0.000 1.125 442 L CA -0.086 54.609 54.840 -0.241 0.000 0.835 442 L CB -0.192 41.596 42.059 -0.452 0.000 0.953 442 L HN 0.208 nan 8.230 nan 0.000 0.454 443 L N -0.207 120.935 121.223 -0.135 0.000 2.017 443 L HA -0.164 4.175 4.340 -0.002 0.000 0.208 443 L C 2.442 179.338 176.870 0.044 0.000 1.073 443 L CA 1.806 56.654 54.840 0.015 0.000 0.745 443 L CB -0.522 41.618 42.059 0.136 0.000 0.894 443 L HN 0.057 nan 8.230 nan 0.000 0.432 444 S N -1.056 114.629 115.700 -0.026 0.000 2.547 444 S HA -0.103 4.365 4.470 -0.002 0.000 0.235 444 S C 1.456 176.080 174.600 0.040 0.000 0.980 444 S CA 0.675 58.884 58.200 0.016 0.000 0.941 444 S CB -0.142 63.036 63.200 -0.035 0.000 0.763 444 S HN 0.535 nan 8.310 nan 0.000 0.532 445 Q N 0.802 120.620 119.800 0.030 0.000 2.247 445 Q HA 0.145 4.483 4.340 -0.002 0.000 0.211 445 Q C 0.621 176.692 176.000 0.119 0.000 0.861 445 Q CA -0.019 55.816 55.803 0.054 0.000 0.949 445 Q CB 0.211 28.953 28.738 0.007 0.000 1.115 445 Q HN 0.511 nan 8.270 nan 0.000 0.507 446 T N -0.725 113.948 114.554 0.197 0.000 2.932 446 T HA 0.410 4.759 4.350 -0.002 0.000 0.312 446 T C 0.371 175.305 174.700 0.390 0.000 1.071 446 T CA -0.139 62.152 62.100 0.319 0.000 1.128 446 T CB 1.036 70.168 68.868 0.440 0.000 0.984 446 T HN 0.188 nan 8.240 nan 0.000 0.549 447 S N 1.035 116.864 115.700 0.215 0.000 2.596 447 S HA 0.549 5.018 4.470 -0.002 0.000 0.270 447 S C -2.704 171.732 174.600 -0.273 0.000 1.155 447 S CA -1.521 56.575 58.200 -0.173 0.000 0.827 447 S CB 1.600 64.723 63.200 -0.129 0.000 1.130 447 S HN 0.365 nan 8.310 nan 0.000 0.467 448 P HA -0.078 nan 4.420 nan 0.000 0.219 448 P C 1.167 178.410 177.300 -0.094 0.000 1.146 448 P CA 1.198 64.142 63.100 -0.260 0.000 0.808 448 P CB 0.145 31.623 31.700 -0.369 0.000 0.779 449 E N 0.181 120.309 120.200 -0.121 0.000 2.112 449 E HA -0.151 4.197 4.350 -0.002 0.000 0.190 449 E C 1.328 177.916 176.600 -0.019 0.000 0.979 449 E CA 1.035 57.400 56.400 -0.058 0.000 0.814 449 E CB -0.226 29.434 29.700 -0.067 0.000 0.762 449 E HN 0.187 nan 8.360 nan 0.000 0.460 450 N N -0.208 118.488 118.700 -0.006 0.000 2.280 450 N HA 0.030 4.768 4.740 -0.002 0.000 0.192 450 N C 0.387 175.915 175.510 0.030 0.000 1.109 450 N CA 0.102 53.158 53.050 0.010 0.000 0.855 450 N CB 0.061 38.556 38.487 0.013 0.000 0.974 450 N HN 0.097 nan 8.380 nan 0.000 0.482 451 M N -0.240 119.403 119.600 0.071 0.000 2.369 451 M HA 0.218 4.697 4.480 -0.002 0.000 0.291 451 M C 0.184 176.528 176.300 0.073 0.000 1.178 451 M CA -0.773 54.577 55.300 0.083 0.000 0.996 451 M CB 0.561 33.269 32.600 0.180 0.000 1.472 451 M HN -0.024 nan 8.290 nan 0.000 0.496 452 H N 1.263 120.390 119.070 0.095 0.000 2.972 452 H HA 0.005 4.559 4.556 -0.002 0.000 0.343 452 H C 0.619 176.079 175.328 0.220 0.000 1.054 452 H CA 0.582 56.711 56.048 0.134 0.000 1.412 452 H CB 0.710 30.537 29.762 0.109 0.000 1.385 452 H HN 0.448 nan 8.280 nan 0.000 0.600 453 R N 2.022 122.687 120.500 0.275 0.000 2.200 453 R HA -0.042 4.297 4.340 -0.002 0.000 0.208 453 R C 0.683 177.014 176.300 0.052 0.000 1.033 453 R CA 0.405 56.586 56.100 0.135 0.000 1.000 453 R CB -0.463 29.883 30.300 0.076 0.000 0.906 453 R HN 0.453 nan 8.270 nan 0.000 0.462 454 N N 1.757 120.496 118.700 0.064 0.000 2.555 454 N HA 0.041 4.780 4.740 -0.002 0.000 0.244 454 N C 0.798 176.203 175.510 -0.175 0.000 1.114 454 N CA -0.096 52.922 53.050 -0.053 0.000 0.963 454 N CB 1.069 39.530 38.487 -0.044 0.000 1.276 454 N HN 0.157 nan 8.380 nan 0.000 0.510 455 V N 1.774 121.439 119.914 -0.416 0.000 2.809 455 V HA -0.019 4.099 4.120 -0.002 0.000 0.256 455 V C 2.169 177.851 176.094 -0.686 0.000 1.080 455 V CA 1.485 63.247 62.300 -0.896 0.000 1.102 455 V CB -0.777 30.633 31.823 -0.689 0.000 0.705 455 V HN 0.556 nan 8.190 nan 0.000 0.475 456 A N 0.141 122.577 122.820 -0.641 0.000 1.986 456 A HA -0.194 4.125 4.320 -0.002 0.000 0.220 456 A C 2.112 179.567 177.584 -0.215 0.000 1.171 456 A CA 1.930 53.538 52.037 -0.714 0.000 0.640 456 A CB -0.480 18.314 19.000 -0.343 0.000 0.811 456 A HN 0.637 nan 8.150 nan 0.000 0.451 457 Q N -1.105 118.633 119.800 -0.103 0.000 2.280 457 Q HA 0.138 4.477 4.340 -0.002 0.000 0.202 457 Q C -0.719 175.357 176.000 0.126 0.000 0.903 457 Q CA -0.117 55.694 55.803 0.013 0.000 0.948 457 Q CB -0.093 28.631 28.738 -0.023 0.000 1.058 457 Q HN 0.806 nan 8.270 nan 0.000 0.493 458 Y N 0.166 120.418 120.300 -0.080 0.000 2.526 458 Y HA 0.266 4.814 4.550 -0.002 0.000 0.330 458 Y C 1.246 177.082 175.900 -0.106 0.000 1.156 458 Y CA -0.359 57.689 58.100 -0.087 0.000 1.419 458 Y CB 0.832 39.286 38.460 -0.010 0.000 1.250 458 Y HN 0.046 nan 8.280 nan 0.000 0.540 459 G N 1.480 110.227 108.800 -0.089 0.000 2.815 459 G HA2 0.260 4.219 3.960 -0.002 0.000 0.305 459 G HA3 0.260 4.219 3.960 -0.002 0.000 0.305 459 G C -0.474 174.230 174.900 -0.326 0.000 1.277 459 G CA -0.765 44.209 45.100 -0.210 0.000 0.795 459 G HN 0.453 nan 8.290 nan 0.000 0.528 460 L N 0.549 121.592 121.223 -0.300 0.000 2.083 460 L HA 0.117 4.455 4.340 -0.002 0.000 0.209 460 L C 1.053 177.781 176.870 -0.237 0.000 1.083 460 L CA 1.167 55.900 54.840 -0.178 0.000 0.752 460 L CB -0.575 41.461 42.059 -0.039 0.000 0.899 460 L HN 0.550 nan 8.230 nan 0.000 0.433 461 D N 0.063 120.241 120.400 -0.369 0.000 2.382 461 D HA -0.010 4.628 4.640 -0.002 0.000 0.259 461 D C -1.607 174.288 176.300 -0.675 0.000 1.224 461 D CA -1.788 51.712 54.000 -0.833 0.000 0.894 461 D CB 1.163 41.682 40.800 -0.469 0.000 1.127 461 D HN 0.089 nan 8.370 nan 0.000 0.487 462 P HA -0.126 nan 4.420 nan 0.000 0.220 462 P C 1.017 178.146 177.300 -0.285 0.000 1.148 462 P CA 0.967 63.802 63.100 -0.443 0.000 0.803 462 P CB 0.036 31.573 31.700 -0.272 0.000 0.782 463 A N 0.388 123.044 122.820 -0.273 0.000 2.076 463 A HA -0.155 4.164 4.320 -0.002 0.000 0.220 463 A C 2.104 179.634 177.584 -0.090 0.000 1.160 463 A CA 2.263 54.236 52.037 -0.107 0.000 0.653 463 A CB -1.857 17.086 19.000 -0.095 0.000 0.801 463 A HN 0.396 nan 8.150 nan 0.000 0.455 464 T N -4.051 110.365 114.554 -0.230 0.000 3.148 464 T HA 0.156 4.504 4.350 -0.002 0.000 0.253 464 T C 1.561 176.053 174.700 -0.346 0.000 1.134 464 T CA 0.958 62.896 62.100 -0.270 0.000 1.051 464 T CB 0.020 68.749 68.868 -0.231 0.000 0.959 464 T HN 0.517 nan 8.240 nan 0.000 0.525 465 R N -1.029 119.209 120.500 -0.436 0.000 2.302 465 R HA 0.339 4.678 4.340 -0.002 0.000 0.187 465 R C -0.531 175.404 176.300 -0.607 0.000 0.904 465 R CA 0.021 55.531 56.100 -0.983 0.000 1.105 465 R CB 0.598 30.124 30.300 -1.291 0.000 1.239 465 R HN 0.397 nan 8.270 nan 0.000 0.620 466 Y N 1.782 121.990 120.300 -0.154 0.000 2.328 466 Y HA 0.418 4.967 4.550 -0.003 0.000 0.337 466 Y C -2.233 173.529 175.900 -0.230 0.000 0.966 466 Y CA -3.064 54.929 58.100 -0.179 0.000 1.136 466 Y CB 1.276 39.651 38.460 -0.142 0.000 1.170 466 Y HN -0.054 nan 8.280 nan 0.000 0.470 467 P HA 0.050 nan 4.420 nan 0.000 0.276 467 P C -0.435 176.796 177.300 -0.115 0.000 1.252 467 P CA -0.613 62.243 63.100 -0.407 0.000 0.802 467 P CB 0.580 31.961 31.700 -0.532 0.000 1.035 468 N N -0.360 118.305 118.700 -0.058 0.000 2.759 468 N HA -0.206 4.533 4.740 -0.002 0.000 0.277 468 N C -0.681 174.821 175.510 -0.014 0.000 0.982 468 N CA 0.283 53.323 53.050 -0.017 0.000 0.833 468 N CB -1.061 37.414 38.487 -0.020 0.000 0.927 468 N HN 0.310 nan 8.380 nan 0.000 0.573 469 L N 1.163 122.390 121.223 0.006 0.000 2.456 469 L HA 0.316 4.654 4.340 -0.002 0.000 0.272 469 L C 0.302 177.169 176.870 -0.003 0.000 1.189 469 L CA 0.122 54.964 54.840 0.004 0.000 0.846 469 L CB 0.710 42.788 42.059 0.033 0.000 1.111 469 L HN 0.420 nan 8.230 nan 0.000 0.475 470 N N 4.262 122.950 118.700 -0.019 0.000 2.682 470 N HA 0.204 4.943 4.740 -0.002 0.000 0.252 470 N C 0.125 175.633 175.510 -0.003 0.000 1.081 470 N CA -0.298 52.747 53.050 -0.008 0.000 0.844 470 N CB 0.359 38.836 38.487 -0.016 0.000 1.167 470 N HN 0.751 nan 8.380 nan 0.000 0.523 471 L N 1.499 122.736 121.223 0.023 0.000 2.633 471 L HA 0.095 4.433 4.340 -0.002 0.000 0.235 471 L C 1.187 178.088 176.870 0.052 0.000 1.163 471 L CA 0.518 55.388 54.840 0.051 0.000 0.859 471 L CB 0.015 42.131 42.059 0.095 0.000 0.973 471 L HN 0.289 nan 8.230 nan 0.000 0.451 472 R N -0.606 119.914 120.500 0.034 0.000 2.613 472 R HA 0.297 4.636 4.340 -0.002 0.000 0.361 472 R C 1.525 177.837 176.300 0.019 0.000 1.072 472 R CA 0.441 56.560 56.100 0.031 0.000 1.089 472 R CB 0.236 30.553 30.300 0.029 0.000 1.343 472 R HN 0.088 nan 8.270 nan 0.000 0.571 473 A N 0.699 123.525 122.820 0.009 0.000 2.019 473 A HA 0.011 4.330 4.320 -0.002 0.000 0.219 473 A C 1.013 178.600 177.584 0.005 0.000 1.164 473 A CA 0.916 52.952 52.037 -0.003 0.000 0.644 473 A CB 0.304 19.290 19.000 -0.023 0.000 0.805 473 A HN 0.026 nan 8.150 nan 0.000 0.449 474 V N 0.656 120.581 119.914 0.018 0.000 2.555 474 V HA 0.458 4.577 4.120 -0.002 0.000 0.302 474 V C 0.266 176.381 176.094 0.035 0.000 1.038 474 V CA -0.211 62.105 62.300 0.028 0.000 0.887 474 V CB 1.625 33.471 31.823 0.039 0.000 0.991 474 V HN 0.472 nan 8.190 nan 0.000 0.434 475 T N 1.907 116.481 114.554 0.033 0.000 2.943 475 T HA 0.443 4.791 4.350 -0.002 0.000 0.284 475 T C -1.978 172.747 174.700 0.042 0.000 1.015 475 T CA -2.081 60.040 62.100 0.035 0.000 1.042 475 T CB 1.904 70.789 68.868 0.029 0.000 1.055 475 T HN 0.359 nan 8.240 nan 0.000 0.500 476 P HA -0.129 nan 4.420 nan 0.000 0.217 476 P C 1.448 178.782 177.300 0.057 0.000 1.151 476 P CA 0.977 64.110 63.100 0.054 0.000 0.849 476 P CB 0.032 31.762 31.700 0.051 0.000 0.787 477 N N -0.926 117.800 118.700 0.044 0.000 2.244 477 N HA -0.124 4.615 4.740 -0.002 0.000 0.183 477 N C 1.675 177.208 175.510 0.038 0.000 1.016 477 N CA 1.040 54.114 53.050 0.039 0.000 0.866 477 N CB -0.439 38.066 38.487 0.029 0.000 0.980 477 N HN 0.306 nan 8.380 nan 0.000 0.430 478 Q N 0.054 119.876 119.800 0.037 0.000 2.291 478 Q HA -0.055 4.283 4.340 -0.002 0.000 0.206 478 Q C 1.577 177.603 176.000 0.043 0.000 0.976 478 Q CA 0.847 56.672 55.803 0.035 0.000 0.875 478 Q CB 0.236 28.994 28.738 0.033 0.000 0.927 478 Q HN 0.339 nan 8.270 nan 0.000 0.450 479 V N -3.552 116.393 119.914 0.053 0.000 3.483 479 V HA 0.103 4.221 4.120 -0.002 0.000 0.301 479 V C 1.493 177.634 176.094 0.078 0.000 1.389 479 V CA -0.097 62.240 62.300 0.061 0.000 1.101 479 V CB 0.279 32.141 31.823 0.064 0.000 0.971 479 V HN 0.112 nan 8.190 nan 0.000 0.434 480 Q N 1.422 121.266 119.800 0.072 0.000 2.135 480 Q HA -0.254 4.085 4.340 -0.002 0.000 0.204 480 Q C 1.478 177.513 176.000 0.058 0.000 0.981 480 Q CA 2.423 58.273 55.803 0.079 0.000 0.856 480 Q CB -0.218 28.547 28.738 0.045 0.000 0.902 480 Q HN 0.766 nan 8.270 nan 0.000 0.425 481 D N -0.055 120.365 120.400 0.033 0.000 2.371 481 D HA -0.015 4.624 4.640 -0.002 0.000 0.221 481 D C 1.355 177.656 176.300 0.002 0.000 0.986 481 D CA 0.276 54.282 54.000 0.010 0.000 0.899 481 D CB 0.130 40.930 40.800 0.001 0.000 0.902 481 D HN 0.160 nan 8.370 nan 0.000 0.530 482 L N -0.268 120.970 121.223 0.026 0.000 2.558 482 L HA 0.047 4.385 4.340 -0.002 0.000 0.225 482 L C 0.085 176.994 176.870 0.066 0.000 1.128 482 L CA 0.084 54.919 54.840 -0.007 0.000 0.868 482 L CB 0.092 42.147 42.059 -0.006 0.000 1.006 482 L HN 0.131 nan 8.230 nan 0.000 0.454 483 Y N 2.087 122.363 120.300 -0.041 0.000 2.491 483 Y HA 0.418 4.966 4.550 -0.003 0.000 0.334 483 Y C -0.453 175.439 175.900 -0.014 0.000 0.969 483 Y CA -1.143 56.948 58.100 -0.016 0.000 1.241 483 Y CB -0.402 38.069 38.460 0.019 0.000 1.105 483 Y HN 0.133 nan 8.280 nan 0.000 0.503 484 D N 0.000 120.490 120.400 0.149 0.000 6.856 484 D HA 0.000 4.639 4.640 -0.002 0.000 0.175 484 D CA 0.000 54.012 54.000 0.019 0.000 0.868 484 D CB 0.000 40.742 40.800 -0.098 0.000 0.688 484 D HN 0.000 nan 8.370 nan 0.000 0.683