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 2gmj_1_B DATA FIRST_RESID 7 DATA SEQUENCE PRITTHYTIY PRDQDKRWEG VNMERFAEEA DVVIVGAGPA GLSAATRLKQ DATA SEQUENCE LAAQHEKDLR VCLVEKAAHI GAHTLSGACL DPRAFEELFP DWKEKGAPLN DATA SEQUENCE TPVTEDRFGI LTEKYRIPVP ILPGLPMNNH GNYVVRLGHL VSWMGEQAEA DATA SEQUENCE LGVEVYPGYA AAEILFHEDG SVKGIATNDV GIQKDGAPKT TFERGLELHA DATA SEQUENCE KVTIFAEGCH GHLAKQLYKK FDLRANCEPQ TYGIGLKELW VIDEKKWKPG DATA SEQUENCE RVDHTVGWPL DRHTYGGSFL YHLNEGEPLL ALGFVVGLDY QNPYLSPFRE DATA SEQUENCE FQRWKHHPSI KPTLEGGKRI AYGARALNEG GFQSIPKLTF PGGLLIGCSP DATA SEQUENCE GFMNVPKIKG THTAMKSGTL AAESIFNQLT SENLQSKTIG LHVTEYEDNL DATA SEQUENCE KNSWVWKELY SVRNIRPSCH GILGVYGGMI YTGIFYWIFR GMEPWTLKHK DATA SEQUENCE GSDSDQLKPA KDCTPIEYPK PDGQISFDLL SSVALSGTNH EHDQPAHLTL DATA SEQUENCE KDDSVPVNRN LSIYDGPEQR FCPAGVYEFV PLEQGDGFRL QINAQNCVHC DATA SEQUENCE KTCDIKDPSQ NINWVVPEGG GGPAYNGM 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.337 177.300 0.062 0.000 1.155 7 P CA 0.000 63.133 63.100 0.055 0.000 0.800 7 P CB 0.000 31.739 31.700 0.064 0.000 0.726 8 R N 1.372 121.907 120.500 0.060 0.000 2.057 8 R HA -0.119 4.221 4.340 -0.000 0.000 0.157 8 R C 0.943 177.294 176.300 0.086 0.000 0.387 8 R CA 0.597 56.739 56.100 0.070 0.000 0.411 8 R CB -1.397 28.913 30.300 0.016 0.000 1.648 8 R HN 0.538 nan 8.270 nan 0.000 0.556 9 I N -0.207 120.428 120.570 0.108 0.000 2.480 9 I HA -0.108 4.061 4.170 -0.000 0.000 0.251 9 I C 0.697 176.888 176.117 0.123 0.000 1.124 9 I CA 0.936 62.294 61.300 0.096 0.000 1.444 9 I CB 0.013 38.065 38.000 0.087 0.000 1.098 9 I HN 0.109 nan 8.210 nan 0.000 0.428 10 T N 1.509 116.172 114.554 0.182 0.000 2.727 10 T HA 0.176 4.525 4.350 -0.000 0.000 0.295 10 T C 0.793 175.707 174.700 0.355 0.000 0.915 10 T CA -0.141 62.092 62.100 0.221 0.000 1.066 10 T CB 0.375 69.344 68.868 0.168 0.000 0.891 10 T HN 0.339 nan 8.240 nan 0.000 0.516 11 T N -0.514 114.195 114.554 0.259 0.000 3.339 11 T HA 0.170 4.520 4.350 -0.000 0.000 0.292 11 T C 0.052 174.900 174.700 0.248 0.000 1.012 11 T CA -0.558 61.692 62.100 0.250 0.000 0.937 11 T CB -0.149 68.802 68.868 0.139 0.000 1.164 11 T HN 0.621 nan 8.240 nan 0.000 0.509 12 H N 1.323 120.478 119.070 0.142 0.000 2.472 12 H HA 0.232 4.788 4.556 -0.000 0.000 0.335 12 H C 0.537 175.867 175.328 0.003 0.000 1.136 12 H CA -0.475 55.559 56.048 -0.023 0.000 1.264 12 H CB 1.215 30.851 29.762 -0.210 0.000 1.486 12 H HN 0.480 nan 8.280 nan 0.000 0.517 13 Y N 1.560 121.768 120.300 -0.154 0.000 2.619 13 Y HA 0.053 4.603 4.550 -0.000 0.000 0.308 13 Y C 1.271 177.188 175.900 0.029 0.000 1.192 13 Y CA 0.222 58.276 58.100 -0.077 0.000 1.319 13 Y CB -0.431 37.885 38.460 -0.239 0.000 1.030 13 Y HN 0.274 nan 8.280 nan 0.000 0.517 14 T N 0.048 114.606 114.554 0.005 0.000 3.044 14 T HA 0.208 4.558 4.350 -0.000 0.000 0.255 14 T C 1.503 176.174 174.700 -0.049 0.000 1.073 14 T CA 0.995 63.094 62.100 -0.001 0.000 1.125 14 T CB 0.039 68.852 68.868 -0.091 0.000 0.908 14 T HN 0.458 nan 8.240 nan 0.000 0.480 15 I N -1.207 119.300 120.570 -0.106 0.000 4.139 15 I HA 0.197 4.367 4.170 -0.000 0.000 0.320 15 I C -0.301 175.616 176.117 -0.334 0.000 1.290 15 I CA 0.239 61.375 61.300 -0.274 0.000 1.253 15 I CB 0.747 38.481 38.000 -0.442 0.000 1.122 15 I HN 0.162 nan 8.210 nan 0.000 0.421 16 Y N 1.906 122.228 120.300 0.036 0.000 2.747 16 Y HA 0.370 4.920 4.550 -0.000 0.000 0.362 16 Y C -2.359 173.552 175.900 0.019 0.000 1.026 16 Y CA -2.491 55.631 58.100 0.037 0.000 1.135 16 Y CB 0.212 38.707 38.460 0.059 0.000 1.175 16 Y HN -0.092 nan 8.280 nan 0.000 0.643 17 P HA -0.119 nan 4.420 nan 0.000 0.264 17 P C 0.667 177.910 177.300 -0.095 0.000 1.173 17 P CA 0.150 63.255 63.100 0.009 0.000 0.761 17 P CB 0.835 32.533 31.700 -0.003 0.000 0.794 18 R N 2.041 122.333 120.500 -0.346 0.000 2.193 18 R HA -0.107 4.233 4.340 -0.000 0.000 0.229 18 R C -0.242 175.862 176.300 -0.326 0.000 1.110 18 R CA 1.411 57.035 56.100 -0.793 0.000 0.988 18 R CB -1.113 28.247 30.300 -1.566 0.000 0.871 18 R HN 0.463 nan 8.270 nan 0.000 0.458 19 D N 1.073 121.362 120.400 -0.186 0.000 3.038 19 D HA 0.092 4.732 4.640 -0.000 0.000 0.243 19 D C 0.118 176.409 176.300 -0.015 0.000 1.245 19 D CA 0.124 54.080 54.000 -0.072 0.000 0.871 19 D CB 0.391 41.149 40.800 -0.071 0.000 1.089 19 D HN 0.235 nan 8.370 nan 0.000 0.464 20 Q N -0.362 119.449 119.800 0.017 0.000 1.300 20 Q HA -0.014 4.325 4.340 -0.000 0.000 0.127 20 Q C -1.184 174.865 176.000 0.082 0.000 0.744 20 Q CA -0.141 55.690 55.803 0.048 0.000 0.613 20 Q CB 0.324 29.088 28.738 0.043 0.000 1.105 20 Q HN 0.258 nan 8.270 nan 0.000 0.320 21 D N 0.064 120.544 120.400 0.133 0.000 2.193 21 D HA 0.204 4.844 4.640 -0.000 0.000 0.244 21 D C 0.819 177.237 176.300 0.196 0.000 1.064 21 D CA -0.212 53.908 54.000 0.200 0.000 0.845 21 D CB 1.052 42.090 40.800 0.395 0.000 1.148 21 D HN -0.060 nan 8.370 nan 0.000 0.464 22 K N 2.072 122.532 120.400 0.101 0.000 2.160 22 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 22 K C 1.153 177.769 176.600 0.026 0.000 1.047 22 K CA 1.111 57.430 56.287 0.052 0.000 0.930 22 K CB 0.015 32.524 32.500 0.015 0.000 0.720 22 K HN 0.398 nan 8.250 nan 0.000 0.450 23 R N -1.109 119.389 120.500 -0.004 0.000 2.335 23 R HA -0.012 4.328 4.340 -0.000 0.000 0.223 23 R C 0.624 176.730 176.300 -0.323 0.000 0.940 23 R CA 0.459 56.460 56.100 -0.164 0.000 1.086 23 R CB -0.190 29.967 30.300 -0.237 0.000 1.073 23 R HN 0.304 nan 8.270 nan 0.000 0.504 24 W N -0.373 120.882 121.300 -0.075 0.000 2.975 24 W HA 0.166 4.825 4.660 -0.000 0.000 0.316 24 W C 1.781 178.238 176.519 -0.102 0.000 1.131 24 W CA -0.333 56.947 57.345 -0.108 0.000 1.624 24 W CB 0.411 29.815 29.460 -0.094 0.000 1.038 24 W HN 0.149 nan 8.180 nan 0.000 0.571 25 E N 0.719 120.982 120.200 0.105 0.000 2.113 25 E HA -0.224 4.126 4.350 -0.000 0.000 0.210 25 E C 1.763 178.375 176.600 0.019 0.000 1.040 25 E CA 2.297 58.727 56.400 0.050 0.000 0.847 25 E CB -0.851 28.860 29.700 0.018 0.000 0.755 25 E HN 0.060 nan 8.360 nan 0.000 0.459 26 G N 0.082 108.871 108.800 -0.018 0.000 4.486 26 G HA2 0.456 4.416 3.960 -0.000 0.000 0.306 26 G HA3 0.456 4.416 3.960 -0.000 0.000 0.306 26 G C -1.002 173.864 174.900 -0.055 0.000 1.331 26 G CA -0.241 44.840 45.100 -0.032 0.000 1.113 26 G HN 0.130 nan 8.290 nan 0.000 0.594 27 V N 0.842 120.725 119.914 -0.052 0.000 2.487 27 V HA 0.268 4.388 4.120 -0.000 0.000 0.298 27 V C 0.165 176.225 176.094 -0.057 0.000 1.028 27 V CA -1.406 60.835 62.300 -0.099 0.000 0.860 27 V CB 1.749 33.440 31.823 -0.220 0.000 0.991 27 V HN 0.555 nan 8.190 nan 0.000 0.427 28 N N 5.864 124.536 118.700 -0.047 0.000 2.412 28 N HA 0.113 4.853 4.740 -0.000 0.000 0.279 28 N C -0.667 174.835 175.510 -0.013 0.000 1.287 28 N CA 0.029 53.068 53.050 -0.018 0.000 0.948 28 N CB 0.289 38.776 38.487 0.000 0.000 1.255 28 N HN 0.632 nan 8.380 nan 0.000 0.485 29 M N 3.210 122.803 119.600 -0.012 0.000 2.044 29 M HA 0.306 4.786 4.480 -0.000 0.000 0.333 29 M C -0.809 175.480 176.300 -0.018 0.000 1.004 29 M CA -0.366 54.930 55.300 -0.007 0.000 0.954 29 M CB 1.374 33.957 32.600 -0.028 0.000 1.468 29 M HN 0.477 nan 8.290 nan 0.000 0.414 30 E N 2.532 122.713 120.200 -0.032 0.000 2.500 30 E HA 0.328 4.678 4.350 -0.000 0.000 0.288 30 E C -1.734 174.801 176.600 -0.110 0.000 1.147 30 E CA -0.425 55.950 56.400 -0.040 0.000 0.916 30 E CB 1.747 31.443 29.700 -0.007 0.000 1.181 30 E HN 0.757 nan 8.360 nan 0.000 0.433 31 R N 1.390 121.822 120.500 -0.112 0.000 2.854 31 R HA 0.621 4.961 4.340 -0.000 0.000 0.271 31 R C -0.072 176.176 176.300 -0.086 0.000 0.994 31 R CA -0.857 55.097 56.100 -0.244 0.000 0.945 31 R CB 0.882 31.058 30.300 -0.206 0.000 1.194 31 R HN 0.128 nan 8.270 nan 0.000 0.476 32 F N 0.757 120.698 119.950 -0.014 0.000 2.485 32 F HA 0.436 4.963 4.527 -0.000 0.000 0.327 32 F C 0.730 176.507 175.800 -0.039 0.000 1.203 32 F CA -0.798 57.185 58.000 -0.028 0.000 1.295 32 F CB 0.349 39.331 39.000 -0.030 0.000 1.191 32 F HN 0.604 nan 8.300 nan 0.000 0.588 33 A N 0.968 123.870 122.820 0.136 0.000 2.429 33 A HA 0.510 4.830 4.320 -0.000 0.000 0.289 33 A C -0.792 176.776 177.584 -0.027 0.000 1.043 33 A CA -0.895 51.163 52.037 0.035 0.000 0.722 33 A CB 0.886 19.874 19.000 -0.020 0.000 1.243 33 A HN 0.573 nan 8.150 nan 0.000 0.415 34 E N 1.595 121.786 120.200 -0.015 0.000 2.331 34 E HA 0.199 4.549 4.350 -0.000 0.000 0.272 34 E C -0.380 176.211 176.600 -0.015 0.000 1.036 34 E CA -0.170 56.210 56.400 -0.034 0.000 0.864 34 E CB 1.812 31.474 29.700 -0.064 0.000 1.035 34 E HN 0.716 nan 8.360 nan 0.000 0.408 35 E N 1.855 122.042 120.200 -0.022 0.000 2.183 35 E HA 0.463 4.813 4.350 -0.000 0.000 0.250 35 E C -1.302 175.313 176.600 0.024 0.000 0.901 35 E CA -0.574 55.829 56.400 0.005 0.000 0.741 35 E CB 0.735 30.415 29.700 -0.034 0.000 1.182 35 E HN 0.471 nan 8.360 nan 0.000 0.425 36 A N 3.567 126.413 122.820 0.043 0.000 2.261 36 A HA 0.283 4.603 4.320 -0.000 0.000 0.323 36 A C 0.611 178.218 177.584 0.039 0.000 1.107 36 A CA -0.543 51.517 52.037 0.038 0.000 0.883 36 A CB 1.033 20.058 19.000 0.042 0.000 1.251 36 A HN 0.754 nan 8.150 nan 0.000 0.502 37 D N -1.161 119.257 120.400 0.029 0.000 2.103 37 D HA 0.044 4.684 4.640 -0.000 0.000 0.199 37 D C 0.048 176.359 176.300 0.019 0.000 0.978 37 D CA 1.837 55.847 54.000 0.016 0.000 0.829 37 D CB 0.493 41.293 40.800 -0.000 0.000 0.981 37 D HN 0.229 nan 8.370 nan 0.000 0.464 38 V N 0.574 120.503 119.914 0.023 0.000 2.888 38 V HA 0.359 4.479 4.120 -0.000 0.000 0.309 38 V C -1.254 174.850 176.094 0.017 0.000 1.114 38 V CA -0.616 61.694 62.300 0.017 0.000 0.940 38 V CB 2.372 34.203 31.823 0.014 0.000 1.021 38 V HN -0.234 nan 8.190 nan 0.000 0.426 39 V N 7.079 126.990 119.914 -0.006 0.000 2.581 39 V HA 0.606 4.726 4.120 -0.000 0.000 0.303 39 V C -0.314 175.742 176.094 -0.062 0.000 1.041 39 V CA -0.503 61.783 62.300 -0.024 0.000 0.907 39 V CB 1.830 33.620 31.823 -0.055 0.000 0.994 39 V HN 0.722 nan 8.190 nan 0.000 0.442 40 I N 4.150 124.694 120.570 -0.043 0.000 2.418 40 I HA 0.440 4.610 4.170 -0.000 0.000 0.287 40 I C -0.542 175.522 176.117 -0.087 0.000 1.008 40 I CA -0.830 60.432 61.300 -0.063 0.000 1.104 40 I CB 1.966 39.967 38.000 0.002 0.000 1.264 40 I HN 0.249 nan 8.210 nan 0.000 0.438 41 V N 5.872 125.671 119.914 -0.192 0.000 2.465 41 V HA 0.782 4.902 4.120 -0.000 0.000 0.279 41 V C 0.833 176.903 176.094 -0.039 0.000 1.045 41 V CA 0.624 62.822 62.300 -0.171 0.000 0.938 41 V CB 0.654 32.243 31.823 -0.389 0.000 0.986 41 V HN 1.157 nan 8.190 nan 0.000 0.467 42 G N 3.466 112.281 108.800 0.024 0.000 1.828 42 G HA2 0.327 4.287 3.960 -0.000 0.000 0.128 42 G HA3 0.327 4.287 3.960 -0.000 0.000 0.128 42 G C 0.568 175.519 174.900 0.086 0.000 2.299 42 G CA 0.240 45.380 45.100 0.067 0.000 1.389 42 G HN 2.100 nan 8.290 nan 0.000 0.437 43 A N -0.145 122.726 122.820 0.085 0.000 2.996 43 A HA 0.398 4.718 4.320 -0.000 0.000 0.257 43 A C 1.598 179.247 177.584 0.109 0.000 1.394 43 A CA 2.148 54.241 52.037 0.093 0.000 0.820 43 A CB -1.616 17.437 19.000 0.088 0.000 1.054 43 A HN 2.416 nan 8.150 nan 0.000 0.619 44 G N -1.639 107.229 108.800 0.113 0.000 2.735 44 G HA2 0.708 4.668 3.960 -0.000 0.000 0.301 44 G HA3 0.708 4.668 3.960 -0.000 0.000 0.301 44 G C -0.815 174.163 174.900 0.130 0.000 1.279 44 G CA -0.697 44.476 45.100 0.121 0.000 1.019 44 G HN 0.128 nan 8.290 nan 0.000 0.497 45 P HA -0.273 nan 4.420 nan 0.000 0.219 45 P C 1.914 179.297 177.300 0.138 0.000 1.158 45 P CA 2.614 65.800 63.100 0.143 0.000 0.895 45 P CB 0.053 31.825 31.700 0.119 0.000 0.792 46 A N 0.147 123.042 122.820 0.124 0.000 1.855 46 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 46 A C 2.708 180.358 177.584 0.110 0.000 1.191 46 A CA 2.236 54.345 52.037 0.121 0.000 0.613 46 A CB -1.910 17.173 19.000 0.139 0.000 0.829 46 A HN 0.300 nan 8.150 nan 0.000 0.442 47 G N -0.147 108.718 108.800 0.107 0.000 2.446 47 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.217 47 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.217 47 G C 1.570 176.526 174.900 0.093 0.000 1.168 47 G CA 1.129 46.283 45.100 0.091 0.000 0.771 47 G HN 0.420 nan 8.290 nan 0.000 0.551 48 L N 0.706 121.999 121.223 0.116 0.000 2.083 48 L HA -0.091 4.249 4.340 -0.000 0.000 0.209 48 L C 3.217 180.163 176.870 0.127 0.000 1.083 48 L CA 1.109 56.030 54.840 0.134 0.000 0.752 48 L CB -0.394 41.774 42.059 0.182 0.000 0.899 48 L HN 0.188 nan 8.230 nan 0.000 0.433 49 S N 0.050 115.817 115.700 0.111 0.000 2.365 49 S HA -0.238 4.232 4.470 -0.000 0.000 0.225 49 S C 2.166 176.789 174.600 0.039 0.000 1.039 49 S CA 1.452 59.687 58.200 0.058 0.000 1.033 49 S CB -0.313 62.922 63.200 0.059 0.000 0.887 49 S HN 0.535 nan 8.310 nan 0.000 0.447 50 A N 1.512 124.365 122.820 0.056 0.000 1.872 50 A HA 0.232 4.552 4.320 -0.000 0.000 0.214 50 A C 2.395 180.014 177.584 0.059 0.000 1.187 50 A CA 1.565 53.632 52.037 0.049 0.000 0.614 50 A CB -1.223 17.804 19.000 0.045 0.000 0.826 50 A HN 0.505 nan 8.150 nan 0.000 0.442 51 A N -0.685 122.177 122.820 0.069 0.000 1.892 51 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 51 A C 2.328 179.963 177.584 0.086 0.000 1.188 51 A CA 2.600 54.682 52.037 0.076 0.000 0.631 51 A CB -1.411 17.637 19.000 0.079 0.000 0.822 51 A HN 0.448 nan 8.150 nan 0.000 0.447 52 T N -0.861 113.750 114.554 0.096 0.000 2.737 52 T HA -0.125 4.225 4.350 -0.000 0.000 0.265 52 T C 2.084 176.829 174.700 0.075 0.000 1.038 52 T CA 1.694 63.864 62.100 0.115 0.000 1.144 52 T CB -0.231 68.736 68.868 0.166 0.000 0.866 52 T HN 0.603 nan 8.240 nan 0.000 0.434 53 R N 1.018 121.536 120.500 0.029 0.000 2.096 53 R HA 0.067 4.407 4.340 -0.000 0.000 0.235 53 R C 2.300 178.621 176.300 0.036 0.000 1.127 53 R CA 1.190 57.294 56.100 0.006 0.000 0.968 53 R CB -0.866 29.425 30.300 -0.015 0.000 0.861 53 R HN 0.346 nan 8.270 nan 0.000 0.440 54 L N 0.343 121.611 121.223 0.075 0.000 2.043 54 L HA -0.231 4.109 4.340 -0.000 0.000 0.212 54 L C 2.077 179.045 176.870 0.164 0.000 1.075 54 L CA 1.477 56.400 54.840 0.137 0.000 0.752 54 L CB -0.328 41.810 42.059 0.131 0.000 0.891 54 L HN 0.214 nan 8.230 nan 0.000 0.432 55 K N -0.441 120.031 120.400 0.120 0.000 2.228 55 K HA -0.098 4.222 4.320 -0.000 0.000 0.202 55 K C 1.957 178.614 176.600 0.095 0.000 1.051 55 K CA 0.808 57.166 56.287 0.119 0.000 0.960 55 K CB -0.142 32.415 32.500 0.095 0.000 0.743 55 K HN 0.458 nan 8.250 nan 0.000 0.458 56 Q N 0.465 120.303 119.800 0.064 0.000 2.124 56 Q HA -0.051 4.289 4.340 -0.000 0.000 0.202 56 Q C 2.085 178.078 176.000 -0.012 0.000 0.977 56 Q CA 1.048 56.870 55.803 0.031 0.000 0.850 56 Q CB -0.042 28.705 28.738 0.015 0.000 0.901 56 Q HN 0.244 nan 8.270 nan 0.000 0.429 57 L N -0.564 120.623 121.223 -0.059 0.000 2.240 57 L HA -0.026 4.314 4.340 -0.000 0.000 0.211 57 L C 2.319 179.226 176.870 0.062 0.000 1.106 57 L CA 0.502 55.180 54.840 -0.270 0.000 0.793 57 L CB -0.308 41.259 42.059 -0.819 0.000 0.927 57 L HN 0.151 nan 8.230 nan 0.000 0.446 58 A N 0.049 123.057 122.820 0.314 0.000 1.968 58 A HA -0.043 4.277 4.320 -0.000 0.000 0.217 58 A C 2.479 180.200 177.584 0.228 0.000 1.169 58 A CA 1.467 53.744 52.037 0.399 0.000 0.638 58 A CB -0.402 18.755 19.000 0.261 0.000 0.812 58 A HN 0.364 nan 8.150 nan 0.000 0.446 59 A N 0.181 123.080 122.820 0.132 0.000 1.854 59 A HA -0.159 4.161 4.320 -0.000 0.000 0.214 59 A C 2.227 179.832 177.584 0.036 0.000 1.192 59 A CA 1.572 53.653 52.037 0.074 0.000 0.611 59 A CB -0.682 18.346 19.000 0.046 0.000 0.832 59 A HN 0.693 nan 8.150 nan 0.000 0.442 60 Q N -1.527 118.260 119.800 -0.021 0.000 2.291 60 Q HA -0.194 4.146 4.340 -0.000 0.000 0.205 60 Q C 1.165 177.026 176.000 -0.232 0.000 0.970 60 Q CA 1.597 57.316 55.803 -0.140 0.000 0.876 60 Q CB -0.339 28.270 28.738 -0.214 0.000 0.935 60 Q HN 0.769 nan 8.270 nan 0.000 0.455 61 H N 0.339 119.449 119.070 0.067 0.000 2.622 61 H HA 0.157 4.713 4.556 -0.000 0.000 0.269 61 H C 0.106 175.506 175.328 0.119 0.000 0.977 61 H CA 0.771 56.892 56.048 0.122 0.000 1.179 61 H CB 0.700 30.614 29.762 0.253 0.000 1.458 61 H HN 0.418 nan 8.280 nan 0.000 0.531 62 E N 0.139 120.448 120.200 0.181 0.000 3.673 62 E HA -0.165 4.185 4.350 -0.000 0.000 0.309 62 E C 0.013 176.693 176.600 0.132 0.000 0.819 62 E CA 0.538 57.013 56.400 0.125 0.000 1.111 62 E CB -0.621 29.131 29.700 0.086 0.000 1.561 62 E HN 0.290 nan 8.360 nan 0.000 0.450 63 K N 1.435 121.951 120.400 0.192 0.000 2.138 63 K HA 0.241 4.561 4.320 -0.000 0.000 0.251 63 K C 0.123 176.780 176.600 0.095 0.000 1.015 63 K CA -0.035 56.320 56.287 0.113 0.000 0.917 63 K CB 0.507 33.054 32.500 0.078 0.000 1.021 63 K HN 0.115 nan 8.250 nan 0.000 0.485 64 D N 0.700 121.121 120.400 0.036 0.000 2.502 64 D HA 0.405 5.044 4.640 -0.000 0.000 0.249 64 D C -1.133 175.177 176.300 0.015 0.000 1.092 64 D CA -0.512 53.512 54.000 0.040 0.000 0.839 64 D CB 0.671 41.490 40.800 0.032 0.000 1.264 64 D HN 0.253 nan 8.370 nan 0.000 0.511 65 L N 2.717 123.964 121.223 0.041 0.000 2.381 65 L HA 0.580 4.920 4.340 -0.000 0.000 0.268 65 L C -0.110 176.788 176.870 0.045 0.000 0.997 65 L CA -1.078 53.780 54.840 0.030 0.000 0.818 65 L CB 2.260 44.350 42.059 0.052 0.000 1.310 65 L HN 0.393 nan 8.230 nan 0.000 0.416 66 R N 2.395 122.918 120.500 0.038 0.000 2.360 66 R HA 0.629 4.969 4.340 -0.000 0.000 0.318 66 R C -1.781 174.554 176.300 0.058 0.000 0.950 66 R CA -0.363 55.768 56.100 0.052 0.000 0.837 66 R CB 1.926 32.253 30.300 0.044 0.000 1.165 66 R HN 0.453 nan 8.270 nan 0.000 0.458 67 V N 5.436 125.395 119.914 0.076 0.000 2.525 67 V HA 0.440 4.560 4.120 -0.000 0.000 0.299 67 V C -0.945 175.218 176.094 0.115 0.000 1.034 67 V CA -0.593 61.755 62.300 0.080 0.000 0.863 67 V CB 1.380 33.246 31.823 0.071 0.000 0.999 67 V HN 0.864 nan 8.190 nan 0.000 0.423 68 C N 7.056 126.436 119.300 0.133 0.000 2.341 68 C HA 0.618 5.078 4.460 -0.000 0.000 0.338 68 C C -0.006 175.099 174.990 0.193 0.000 1.257 68 C CA -0.808 58.353 59.018 0.238 0.000 1.883 68 C CB 0.851 28.725 27.740 0.223 0.000 2.334 68 C HN 0.877 nan 8.230 nan 0.000 0.524 69 L N 3.562 124.926 121.223 0.235 0.000 2.322 69 L HA 0.653 4.993 4.340 -0.000 0.000 0.281 69 L C -0.679 176.311 176.870 0.200 0.000 1.014 69 L CA -0.269 54.659 54.840 0.148 0.000 0.815 69 L CB 1.577 43.684 42.059 0.080 0.000 1.247 69 L HN 0.562 nan 8.230 nan 0.000 0.421 70 V N 1.598 121.594 119.914 0.136 0.000 2.483 70 V HA 0.564 4.684 4.120 -0.000 0.000 0.295 70 V C -0.297 175.869 176.094 0.120 0.000 1.035 70 V CA -0.830 61.562 62.300 0.153 0.000 0.896 70 V CB 1.822 33.703 31.823 0.096 0.000 0.986 70 V HN 0.593 nan 8.190 nan 0.000 0.447 71 E N 2.311 122.593 120.200 0.136 0.000 2.222 71 E HA 0.349 4.698 4.350 -0.000 0.000 0.267 71 E C 0.168 176.831 176.600 0.106 0.000 0.884 71 E CA -0.725 55.738 56.400 0.105 0.000 0.764 71 E CB 2.343 32.091 29.700 0.080 0.000 1.169 71 E HN 0.699 nan 8.360 nan 0.000 0.413 72 K N 1.154 121.624 120.400 0.116 0.000 2.515 72 K HA 0.055 4.375 4.320 -0.000 0.000 0.196 72 K C -0.021 176.630 176.600 0.084 0.000 1.038 72 K CA 0.772 57.152 56.287 0.154 0.000 0.967 72 K CB 0.211 32.873 32.500 0.269 0.000 0.780 72 K HN 0.439 nan 8.250 nan 0.000 0.483 73 A N -2.053 120.717 122.820 -0.084 0.000 2.536 73 A HA 0.574 4.894 4.320 -0.000 0.000 0.293 73 A C 0.559 178.035 177.584 -0.181 0.000 1.119 73 A CA -0.207 51.700 52.037 -0.217 0.000 0.654 73 A CB -0.090 18.508 19.000 -0.670 0.000 1.291 73 A HN 0.024 nan 8.150 nan 0.000 0.439 74 A N -0.189 122.539 122.820 -0.153 0.000 1.762 74 A HA -0.216 4.103 4.320 -0.000 0.000 0.285 74 A C 1.067 178.641 177.584 -0.017 0.000 2.926 74 A CA 3.111 55.097 52.037 -0.085 0.000 0.873 74 A CB -1.156 17.807 19.000 -0.062 0.000 0.820 74 A HN 2.100 nan 8.150 nan 0.000 0.524 75 H N -2.751 116.262 119.070 -0.096 0.000 2.985 75 H HA 0.632 5.188 4.556 -0.000 0.000 0.360 75 H C -0.832 174.486 175.328 -0.017 0.000 1.221 75 H CA -1.412 54.612 56.048 -0.041 0.000 1.121 75 H CB 0.799 30.556 29.762 -0.008 0.000 1.854 75 H HN 0.277 nan 8.280 nan 0.000 0.551 76 I N 2.169 122.849 120.570 0.184 0.000 2.505 76 I HA 0.145 4.315 4.170 -0.000 0.000 0.287 76 I C 1.050 177.119 176.117 -0.080 0.000 1.104 76 I CA 1.465 62.771 61.300 0.010 0.000 1.387 76 I CB 0.371 38.386 38.000 0.024 0.000 1.404 76 I HN 0.935 nan 8.210 nan 0.000 0.528 77 G N 4.687 113.511 108.800 0.040 0.000 2.141 77 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.231 77 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.231 77 G C 0.701 175.680 174.900 0.132 0.000 0.984 77 G CA 0.120 45.270 45.100 0.082 0.000 0.660 77 G HN 0.805 nan 8.290 nan 0.000 0.525 78 A N -0.908 121.999 122.820 0.144 0.000 2.308 78 A HA 0.535 4.855 4.320 -0.000 0.000 0.217 78 A C 1.215 179.043 177.584 0.407 0.000 1.216 78 A CA 1.291 53.455 52.037 0.210 0.000 0.864 78 A CB -0.068 19.003 19.000 0.119 0.000 0.902 78 A HN 0.695 nan 8.150 nan 0.000 0.499 79 H N -0.755 118.462 119.070 0.245 0.000 3.170 79 H HA 0.065 4.621 4.556 -0.000 0.000 0.264 79 H C 0.237 175.785 175.328 0.367 0.000 1.113 79 H CA 0.398 56.644 56.048 0.331 0.000 1.194 79 H CB 0.792 30.672 29.762 0.197 0.000 1.553 79 H HN 0.516 nan 8.280 nan 0.000 0.538 80 T N 0.488 115.238 114.554 0.326 0.000 2.884 80 T HA 0.389 4.739 4.350 -0.000 0.000 0.298 80 T C -0.195 174.470 174.700 -0.058 0.000 0.998 80 T CA -0.542 61.634 62.100 0.126 0.000 1.124 80 T CB 1.771 70.693 68.868 0.091 0.000 0.931 80 T HN 0.163 nan 8.240 nan 0.000 0.531 81 L N 2.306 123.446 121.223 -0.139 0.000 2.516 81 L HA 0.722 5.062 4.340 -0.000 0.000 0.267 81 L C -0.703 176.071 176.870 -0.160 0.000 0.957 81 L CA -0.053 54.613 54.840 -0.289 0.000 0.860 81 L CB 1.909 43.678 42.059 -0.483 0.000 1.265 81 L HN 0.966 nan 8.230 nan 0.000 0.403 82 S N 1.730 117.343 115.700 -0.145 0.000 2.611 82 S HA 0.607 5.076 4.470 -0.000 0.000 0.268 82 S C 0.360 174.872 174.600 -0.146 0.000 1.156 82 S CA 0.088 58.207 58.200 -0.136 0.000 0.817 82 S CB 1.198 64.343 63.200 -0.091 0.000 1.122 82 S HN 0.836 nan 8.310 nan 0.000 0.466 83 G N 0.851 109.463 108.800 -0.314 0.000 2.441 83 G HA2 0.485 4.445 3.960 -0.000 0.000 0.212 83 G HA3 0.485 4.445 3.960 -0.000 0.000 0.212 83 G C 0.595 175.534 174.900 0.065 0.000 1.164 83 G CA 0.666 45.572 45.100 -0.323 0.000 0.811 83 G HN 2.042 nan 8.290 nan 0.000 0.535 84 A N -1.854 120.986 122.820 0.033 0.000 2.012 84 A HA -0.007 4.313 4.320 -0.000 0.000 0.504 84 A C -0.003 177.583 177.584 0.004 0.000 0.596 84 A CA 0.254 52.316 52.037 0.041 0.000 0.413 84 A CB -1.717 17.285 19.000 0.003 0.000 2.918 84 A HN 1.518 nan 8.150 nan 0.000 0.406 85 C N 6.612 125.876 119.300 -0.059 0.000 3.445 85 C HA 0.535 4.995 4.460 -0.000 0.000 0.213 85 C C 0.189 175.135 174.990 -0.072 0.000 1.319 85 C CA -0.475 58.444 59.018 -0.165 0.000 1.402 85 C CB -0.584 27.004 27.740 -0.254 0.000 1.819 85 C HN 1.263 nan 8.230 nan 0.000 0.491 86 L N 3.558 124.743 121.223 -0.062 0.000 2.455 86 L HA 0.299 4.639 4.340 -0.000 0.000 0.272 86 L C 0.128 176.960 176.870 -0.063 0.000 1.174 86 L CA 1.379 56.192 54.840 -0.045 0.000 0.869 86 L CB 0.693 42.683 42.059 -0.115 0.000 1.130 86 L HN 0.609 nan 8.230 nan 0.000 0.474 87 D N 7.190 127.550 120.400 -0.066 0.000 2.456 87 D HA 0.219 4.859 4.640 -0.000 0.000 0.219 87 D C -1.719 174.544 176.300 -0.063 0.000 1.126 87 D CA -1.747 52.145 54.000 -0.179 0.000 0.890 87 D CB 1.519 41.998 40.800 -0.536 0.000 1.025 87 D HN 0.347 nan 8.370 nan 0.000 0.511 88 P HA -0.206 nan 4.420 nan 0.000 0.220 88 P C 1.338 178.713 177.300 0.126 0.000 1.144 88 P CA 0.786 63.922 63.100 0.060 0.000 0.808 88 P CB 0.186 31.940 31.700 0.089 0.000 0.763 89 R N 0.064 120.594 120.500 0.049 0.000 2.154 89 R HA -0.256 4.084 4.340 -0.000 0.000 0.236 89 R C 2.096 178.552 176.300 0.259 0.000 1.121 89 R CA 2.482 58.624 56.100 0.071 0.000 0.915 89 R CB -1.077 29.127 30.300 -0.161 0.000 0.856 89 R HN 0.157 nan 8.270 nan 0.000 0.431 90 A N -0.665 122.402 122.820 0.412 0.000 2.014 90 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 90 A C 1.966 179.687 177.584 0.228 0.000 1.163 90 A CA 0.937 53.190 52.037 0.360 0.000 0.652 90 A CB -0.608 18.607 19.000 0.360 0.000 0.808 90 A HN 0.534 nan 8.150 nan 0.000 0.449 91 F N 1.240 121.232 119.950 0.069 0.000 2.146 91 F HA -0.099 4.428 4.527 -0.000 0.000 0.298 91 F C 1.937 177.753 175.800 0.026 0.000 1.096 91 F CA 1.952 59.948 58.000 -0.006 0.000 1.275 91 F CB -0.171 38.782 39.000 -0.079 0.000 1.008 91 F HN 0.353 nan 8.300 nan 0.000 0.480 92 E N -0.498 119.756 120.200 0.090 0.000 2.511 92 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 92 E C 1.693 178.334 176.600 0.069 0.000 1.066 92 E CA 0.429 56.891 56.400 0.103 0.000 0.871 92 E CB -0.106 29.728 29.700 0.224 0.000 0.863 92 E HN 0.585 nan 8.360 nan 0.000 0.520 93 E N 0.374 120.594 120.200 0.034 0.000 2.276 93 E HA 0.010 4.360 4.350 -0.000 0.000 0.193 93 E C 1.838 178.402 176.600 -0.061 0.000 0.983 93 E CA 0.002 56.420 56.400 0.030 0.000 0.861 93 E CB 0.422 30.170 29.700 0.081 0.000 0.817 93 E HN 0.202 nan 8.360 nan 0.000 0.485 94 L N -0.108 120.995 121.223 -0.199 0.000 2.084 94 L HA 0.061 4.401 4.340 -0.000 0.000 0.202 94 L C 0.097 176.696 176.870 -0.452 0.000 1.074 94 L CA 0.869 55.438 54.840 -0.450 0.000 0.757 94 L CB 0.268 41.863 42.059 -0.774 0.000 0.918 94 L HN 0.092 nan 8.230 nan 0.000 0.444 95 F N 0.469 120.296 119.950 -0.205 0.000 2.449 95 F HA 0.333 4.859 4.527 -0.000 0.000 0.344 95 F C -1.556 174.251 175.800 0.011 0.000 1.180 95 F CA -2.962 54.966 58.000 -0.119 0.000 1.209 95 F CB -0.086 38.808 39.000 -0.177 0.000 1.440 95 F HN -0.053 nan 8.300 nan 0.000 0.526 96 P HA -0.143 nan 4.420 nan 0.000 0.225 96 P C 0.604 177.989 177.300 0.141 0.000 1.148 96 P CA 1.331 64.562 63.100 0.218 0.000 0.779 96 P CB 0.256 32.032 31.700 0.126 0.000 0.780 97 D N -0.982 119.491 120.400 0.122 0.000 2.340 97 D HA -0.081 4.559 4.640 -0.000 0.000 0.217 97 D C 1.867 178.134 176.300 -0.056 0.000 1.081 97 D CA -0.394 53.599 54.000 -0.012 0.000 0.842 97 D CB -1.176 39.646 40.800 0.037 0.000 0.934 97 D HN 0.353 nan 8.370 nan 0.000 0.511 98 W N 2.752 124.084 121.300 0.052 0.000 2.296 98 W HA -0.325 4.335 4.660 -0.000 0.000 0.296 98 W C 0.679 177.185 176.519 -0.021 0.000 1.220 98 W CA 0.700 58.042 57.345 -0.004 0.000 1.223 98 W CB -0.682 28.775 29.460 -0.005 0.000 1.139 98 W HN -0.142 nan 8.180 nan 0.000 0.534 99 K N 1.150 120.933 120.400 -1.028 0.000 1.974 99 K HA -0.178 4.142 4.320 -0.000 0.000 0.226 99 K C 1.596 178.013 176.600 -0.305 0.000 1.039 99 K CA 1.874 57.589 56.287 -0.955 0.000 1.022 99 K CB -1.090 30.773 32.500 -1.061 0.000 0.746 99 K HN -0.049 nan 8.250 nan 0.000 0.445 100 E N 1.159 121.214 120.200 -0.243 0.000 2.352 100 E HA -0.062 4.288 4.350 -0.000 0.000 0.197 100 E C 0.324 176.920 176.600 -0.007 0.000 1.224 100 E CA 0.311 56.654 56.400 -0.095 0.000 1.118 100 E CB 0.033 29.678 29.700 -0.091 0.000 1.198 100 E HN 0.211 nan 8.360 nan 0.000 0.454 101 K N -0.887 119.550 120.400 0.062 0.000 2.447 101 K HA 0.093 4.413 4.320 -0.000 0.000 0.205 101 K C 0.751 177.619 176.600 0.446 0.000 1.059 101 K CA 0.347 56.761 56.287 0.211 0.000 1.065 101 K CB 1.022 33.678 32.500 0.259 0.000 0.885 101 K HN 0.249 nan 8.250 nan 0.000 0.545 102 G N 1.298 110.273 108.800 0.293 0.000 2.179 102 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.260 102 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.260 102 G C 0.204 175.135 174.900 0.051 0.000 0.977 102 G CA 0.265 45.572 45.100 0.345 0.000 0.641 102 G HN 0.423 nan 8.290 nan 0.000 0.533 103 A N 1.395 123.983 122.820 -0.387 0.000 2.515 103 A HA 0.536 4.855 4.320 -0.000 0.000 0.263 103 A C -0.652 176.727 177.584 -0.341 0.000 1.096 103 A CA -0.096 51.305 52.037 -1.060 0.000 0.769 103 A CB 0.172 18.845 19.000 -0.546 0.000 1.040 103 A HN 0.300 nan 8.150 nan 0.000 0.505 104 P HA 0.080 nan 4.420 nan 0.000 0.237 104 P C -0.731 176.448 177.300 -0.202 0.000 1.701 104 P CA 0.142 63.159 63.100 -0.138 0.000 0.955 104 P CB -0.160 31.525 31.700 -0.026 0.000 1.937 105 L N 2.336 123.392 121.223 -0.280 0.000 2.701 105 L HA 0.249 4.589 4.340 -0.000 0.000 0.237 105 L C 1.292 177.960 176.870 -0.337 0.000 1.204 105 L CA 0.234 54.748 54.840 -0.544 0.000 1.109 105 L CB -0.310 40.997 42.059 -1.255 0.000 1.409 105 L HN 0.032 nan 8.230 nan 0.000 0.428 106 N N -0.484 118.157 118.700 -0.098 0.000 2.336 106 N HA 0.085 4.825 4.740 -0.000 0.000 0.189 106 N C -0.136 175.437 175.510 0.105 0.000 1.113 106 N CA 0.118 53.186 53.050 0.030 0.000 0.858 106 N CB 0.672 39.200 38.487 0.069 0.000 0.970 106 N HN 0.290 nan 8.380 nan 0.000 0.471 107 T N 3.364 117.998 114.554 0.135 0.000 2.934 107 T HA 0.282 4.632 4.350 -0.000 0.000 0.328 107 T C -2.706 172.152 174.700 0.264 0.000 1.068 107 T CA -1.246 60.962 62.100 0.180 0.000 1.018 107 T CB 2.784 71.734 68.868 0.137 0.000 1.009 107 T HN 0.022 nan 8.240 nan 0.000 0.471 108 P HA 0.337 nan 4.420 nan 0.000 0.282 108 P C -0.289 176.965 177.300 -0.075 0.000 1.249 108 P CA -0.469 62.637 63.100 0.010 0.000 0.806 108 P CB 1.065 32.726 31.700 -0.066 0.000 0.984 109 V N 2.870 122.685 119.914 -0.165 0.000 2.572 109 V HA 0.088 4.208 4.120 -0.000 0.000 0.291 109 V C 1.716 177.736 176.094 -0.124 0.000 1.039 109 V CA 0.926 63.151 62.300 -0.126 0.000 1.055 109 V CB 0.344 32.083 31.823 -0.140 0.000 0.969 109 V HN 0.806 nan 8.190 nan 0.000 0.482 110 T N 0.386 114.891 114.554 -0.083 0.000 2.959 110 T HA 0.259 4.609 4.350 -0.000 0.000 0.254 110 T C 0.289 174.960 174.700 -0.047 0.000 1.003 110 T CA -0.049 62.006 62.100 -0.076 0.000 0.950 110 T CB 0.334 69.153 68.868 -0.081 0.000 1.090 110 T HN 0.632 nan 8.240 nan 0.000 0.503 111 E N 0.760 120.942 120.200 -0.030 0.000 2.294 111 E HA 0.271 4.621 4.350 -0.000 0.000 0.272 111 E C -2.088 174.536 176.600 0.041 0.000 0.896 111 E CA -0.549 55.851 56.400 -0.001 0.000 0.802 111 E CB 1.345 31.033 29.700 -0.021 0.000 1.267 111 E HN 0.009 nan 8.360 nan 0.000 0.406 112 D N 4.135 124.572 120.400 0.062 0.000 2.329 112 D HA 0.329 4.969 4.640 -0.000 0.000 0.232 112 D C -0.722 175.667 176.300 0.147 0.000 1.088 112 D CA -0.226 53.843 54.000 0.114 0.000 0.835 112 D CB 0.791 41.646 40.800 0.092 0.000 1.078 112 D HN 0.398 nan 8.370 nan 0.000 0.495 113 R N 2.502 123.129 120.500 0.213 0.000 2.854 113 R HA 0.631 4.970 4.340 -0.000 0.000 0.271 113 R C -1.009 175.498 176.300 0.345 0.000 0.996 113 R CA -0.919 55.315 56.100 0.223 0.000 0.961 113 R CB 2.325 32.723 30.300 0.164 0.000 1.182 113 R HN 0.330 nan 8.270 nan 0.000 0.479 114 F N -0.356 119.669 119.950 0.125 0.000 2.615 114 F HA 0.586 5.113 4.527 -0.000 0.000 0.312 114 F C -0.950 174.911 175.800 0.101 0.000 1.119 114 F CA -0.207 57.871 58.000 0.129 0.000 0.979 114 F CB 2.466 41.519 39.000 0.087 0.000 1.266 114 F HN 0.623 nan 8.300 nan 0.000 0.444 115 G N 4.926 113.482 108.800 -0.407 0.000 2.690 115 G HA2 0.637 4.597 3.960 -0.000 0.000 0.293 115 G HA3 0.637 4.597 3.960 -0.000 0.000 0.293 115 G C -2.023 172.737 174.900 -0.233 0.000 1.399 115 G CA -0.799 44.214 45.100 -0.144 0.000 0.890 115 G HN 0.660 nan 8.290 nan 0.000 0.485 116 I N 1.104 121.680 120.570 0.010 0.000 2.378 116 I HA 0.376 4.546 4.170 -0.000 0.000 0.291 116 I C -0.234 175.939 176.117 0.094 0.000 0.992 116 I CA -0.574 60.779 61.300 0.089 0.000 1.154 116 I CB 1.702 39.844 38.000 0.235 0.000 1.315 116 I HN 0.090 nan 8.210 nan 0.000 0.448 117 L N 5.546 126.828 121.223 0.097 0.000 2.344 117 L HA 0.653 4.993 4.340 -0.000 0.000 0.272 117 L C 0.354 177.350 176.870 0.210 0.000 1.035 117 L CA -0.453 54.422 54.840 0.059 0.000 0.807 117 L CB 1.857 43.872 42.059 -0.074 0.000 1.237 117 L HN 0.644 nan 8.230 nan 0.000 0.442 118 T N -3.887 110.756 114.554 0.148 0.000 2.887 118 T HA 0.226 4.576 4.350 -0.000 0.000 0.292 118 T C 0.629 175.189 174.700 -0.234 0.000 1.087 118 T CA -0.769 61.404 62.100 0.121 0.000 1.009 118 T CB 1.899 70.864 68.868 0.161 0.000 1.203 118 T HN 0.664 nan 8.240 nan 0.000 0.518 119 E N 0.530 120.483 120.200 -0.411 0.000 2.108 119 E HA -0.253 4.097 4.350 -0.000 0.000 0.203 119 E C 1.364 177.507 176.600 -0.761 0.000 1.022 119 E CA 1.805 57.703 56.400 -0.837 0.000 0.823 119 E CB -0.005 29.487 29.700 -0.346 0.000 0.744 119 E HN 0.636 nan 8.360 nan 0.000 0.456 120 K N -1.827 118.185 120.400 -0.646 0.000 2.391 120 K HA 0.118 4.438 4.320 -0.000 0.000 0.197 120 K C 0.113 176.215 176.600 -0.831 0.000 1.087 120 K CA -0.023 55.743 56.287 -0.869 0.000 1.012 120 K CB 0.710 32.573 32.500 -1.061 0.000 0.925 120 K HN 0.064 nan 8.250 nan 0.000 0.547 121 Y N 0.569 120.882 120.300 0.023 0.000 2.675 121 Y HA 0.457 5.007 4.550 -0.000 0.000 0.328 121 Y C -0.147 175.870 175.900 0.196 0.000 1.092 121 Y CA -1.427 56.724 58.100 0.085 0.000 1.190 121 Y CB 1.221 39.698 38.460 0.028 0.000 1.350 121 Y HN -0.274 nan 8.280 nan 0.000 0.525 122 R N 1.425 122.115 120.500 0.317 0.000 2.502 122 R HA 0.566 4.906 4.340 -0.000 0.000 0.300 122 R C -2.115 174.264 176.300 0.131 0.000 0.984 122 R CA -0.375 55.825 56.100 0.167 0.000 0.882 122 R CB 0.756 31.142 30.300 0.142 0.000 1.180 122 R HN 0.765 nan 8.270 nan 0.000 0.444 123 I N 7.089 127.725 120.570 0.109 0.000 2.307 123 I HA 0.334 4.503 4.170 -0.000 0.000 0.289 123 I C -1.878 174.298 176.117 0.098 0.000 1.021 123 I CA -2.362 58.995 61.300 0.095 0.000 1.224 123 I CB 1.765 39.827 38.000 0.103 0.000 1.376 123 I HN 0.414 nan 8.210 nan 0.000 0.470 124 P HA 0.133 nan 4.420 nan 0.000 0.275 124 P C -0.763 176.611 177.300 0.124 0.000 1.227 124 P CA -0.088 63.073 63.100 0.101 0.000 0.781 124 P CB 1.687 33.429 31.700 0.070 0.000 0.906 125 V N 5.387 125.416 119.914 0.192 0.000 2.487 125 V HA 0.305 4.425 4.120 -0.000 0.000 0.298 125 V C -1.912 174.236 176.094 0.091 0.000 1.028 125 V CA -2.023 60.378 62.300 0.168 0.000 0.860 125 V CB 1.582 33.588 31.823 0.305 0.000 0.991 125 V HN 0.575 nan 8.190 nan 0.000 0.427 126 P HA 0.244 nan 4.420 nan 0.000 0.266 126 P C -0.672 176.573 177.300 -0.092 0.000 1.215 126 P CA 0.208 63.280 63.100 -0.047 0.000 0.763 126 P CB 0.798 32.441 31.700 -0.096 0.000 0.806 127 I N 4.735 125.273 120.570 -0.054 0.000 2.307 127 I HA 0.273 4.443 4.170 -0.000 0.000 0.289 127 I C 0.418 176.490 176.117 -0.075 0.000 1.021 127 I CA -0.636 60.618 61.300 -0.077 0.000 1.224 127 I CB 0.835 38.826 38.000 -0.014 0.000 1.376 127 I HN 0.143 nan 8.210 nan 0.000 0.470 128 L N 8.455 129.610 121.223 -0.114 0.000 2.329 128 L HA 0.408 4.748 4.340 -0.000 0.000 0.279 128 L C -1.225 175.645 176.870 0.000 0.000 1.014 128 L CA -1.683 53.117 54.840 -0.066 0.000 0.814 128 L CB 1.889 43.875 42.059 -0.121 0.000 1.257 128 L HN 0.356 nan 8.230 nan 0.000 0.424 129 P HA -0.196 nan 4.420 nan 0.000 0.222 129 P C 0.877 178.185 177.300 0.013 0.000 1.139 129 P CA 1.165 64.262 63.100 -0.006 0.000 0.794 129 P CB 0.165 31.846 31.700 -0.032 0.000 0.750 130 G N -1.498 107.364 108.800 0.102 0.000 3.575 130 G HA2 0.373 4.333 3.960 -0.000 0.000 0.273 130 G HA3 0.373 4.333 3.960 -0.000 0.000 0.273 130 G C 0.256 175.192 174.900 0.060 0.000 1.053 130 G CA -0.207 44.931 45.100 0.064 0.000 0.803 130 G HN 0.180 nan 8.290 nan 0.000 0.528 131 L N 0.456 121.718 121.223 0.065 0.000 2.334 131 L HA 0.396 4.736 4.340 -0.000 0.000 0.270 131 L C -0.925 176.014 176.870 0.116 0.000 1.018 131 L CA -2.220 52.665 54.840 0.076 0.000 0.811 131 L CB 2.393 44.447 42.059 -0.008 0.000 1.271 131 L HN -0.118 nan 8.230 nan 0.000 0.443 132 P HA -0.138 nan 4.420 nan 0.000 0.214 132 P C 0.863 178.183 177.300 0.033 0.000 1.162 132 P CA 1.299 64.502 63.100 0.172 0.000 0.874 132 P CB 0.091 31.883 31.700 0.154 0.000 0.784 133 M N 0.173 119.751 119.600 -0.037 0.000 2.868 133 M HA 0.036 4.516 4.480 -0.000 0.000 0.200 133 M C 0.387 176.660 176.300 -0.045 0.000 1.098 133 M CA 0.329 55.572 55.300 -0.095 0.000 1.072 133 M CB -2.173 30.311 32.600 -0.195 0.000 1.794 133 M HN -0.123 nan 8.290 nan 0.000 0.477 134 N N 0.787 119.477 118.700 -0.016 0.000 2.444 134 N HA 0.229 4.969 4.740 -0.000 0.000 0.262 134 N C -0.203 175.305 175.510 -0.004 0.000 0.974 134 N CA -0.175 52.874 53.050 -0.002 0.000 0.933 134 N CB 0.578 39.063 38.487 -0.003 0.000 1.137 134 N HN 0.128 nan 8.380 nan 0.000 0.498 135 N N 1.136 119.837 118.700 0.003 0.000 2.236 135 N HA -0.074 4.666 4.740 -0.000 0.000 0.196 135 N C -0.258 175.231 175.510 -0.036 0.000 1.114 135 N CA -0.118 52.913 53.050 -0.032 0.000 0.859 135 N CB -0.053 38.402 38.487 -0.052 0.000 0.982 135 N HN 0.624 nan 8.380 nan 0.000 0.493 136 H N 0.870 119.882 119.070 -0.096 0.000 3.216 136 H HA 0.012 4.568 4.556 -0.000 0.000 0.283 136 H C 1.209 176.448 175.328 -0.148 0.000 0.921 136 H CA 2.046 58.028 56.048 -0.111 0.000 1.419 136 H CB -0.009 29.704 29.762 -0.082 0.000 1.460 136 H HN 0.512 nan 8.280 nan 0.000 0.553 137 G N 4.826 113.346 108.800 -0.467 0.000 2.259 137 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.217 137 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.217 137 G C 0.305 174.933 174.900 -0.453 0.000 1.001 137 G CA 0.056 44.918 45.100 -0.397 0.000 0.627 137 G HN 0.658 nan 8.290 nan 0.000 0.501 138 N N -0.083 118.400 118.700 -0.362 0.000 2.408 138 N HA 0.567 5.307 4.740 -0.000 0.000 0.260 138 N C -0.800 174.445 175.510 -0.442 0.000 1.242 138 N CA 0.349 53.201 53.050 -0.330 0.000 0.959 138 N CB 0.536 38.907 38.487 -0.194 0.000 1.201 138 N HN 0.303 nan 8.380 nan 0.000 0.511 139 Y N -0.803 119.396 120.300 -0.167 0.000 2.499 139 Y HA 0.331 4.881 4.550 -0.000 0.000 0.347 139 Y C -0.037 175.763 175.900 -0.166 0.000 0.987 139 Y CA -1.045 56.959 58.100 -0.160 0.000 1.044 139 Y CB 1.591 39.932 38.460 -0.198 0.000 1.245 139 Y HN 0.050 nan 8.280 nan 0.000 0.461 140 V N 4.749 124.689 119.914 0.042 0.000 2.385 140 V HA 0.438 4.558 4.120 -0.000 0.000 0.269 140 V C -0.132 175.970 176.094 0.013 0.000 1.043 140 V CA -0.510 61.772 62.300 -0.030 0.000 0.906 140 V CB 0.593 32.404 31.823 -0.019 0.000 0.995 140 V HN 0.587 nan 8.190 nan 0.000 0.467 141 V N 3.578 123.482 119.914 -0.016 0.000 3.126 141 V HA 0.707 4.827 4.120 -0.000 0.000 0.314 141 V C -0.383 175.707 176.094 -0.006 0.000 1.138 141 V CA -1.315 60.967 62.300 -0.030 0.000 1.034 141 V CB 2.365 34.115 31.823 -0.121 0.000 1.075 141 V HN 0.754 nan 8.190 nan 0.000 0.442 142 R N 1.877 122.363 120.500 -0.024 0.000 2.247 142 R HA 0.479 4.819 4.340 -0.000 0.000 0.329 142 R C 0.828 177.073 176.300 -0.092 0.000 1.014 142 R CA -0.506 55.544 56.100 -0.084 0.000 0.907 142 R CB 1.248 31.426 30.300 -0.203 0.000 1.146 142 R HN 0.798 nan 8.270 nan 0.000 0.499 143 L N 1.760 122.943 121.223 -0.066 0.000 2.021 143 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 143 L C 2.391 179.261 176.870 -0.001 0.000 1.074 143 L CA 2.009 56.830 54.840 -0.032 0.000 0.760 143 L CB -0.531 41.512 42.059 -0.026 0.000 0.889 143 L HN 0.905 nan 8.230 nan 0.000 0.433 144 G N -1.046 107.726 108.800 -0.048 0.000 2.649 144 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.220 144 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.220 144 G C 1.159 176.131 174.900 0.120 0.000 1.189 144 G CA 1.519 46.624 45.100 0.008 0.000 0.777 144 G HN 0.536 nan 8.290 nan 0.000 0.602 145 H N -0.625 118.483 119.070 0.063 0.000 2.293 145 H HA -0.046 4.510 4.556 -0.000 0.000 0.300 145 H C 2.497 177.901 175.328 0.127 0.000 1.082 145 H CA 0.875 56.973 56.048 0.083 0.000 1.308 145 H CB -0.142 29.661 29.762 0.069 0.000 1.375 145 H HN 0.278 nan 8.280 nan 0.000 0.495 146 L N 1.133 122.477 121.223 0.202 0.000 2.079 146 L HA -0.156 4.184 4.340 -0.000 0.000 0.210 146 L C 2.142 179.180 176.870 0.281 0.000 1.081 146 L CA 1.170 56.102 54.840 0.154 0.000 0.752 146 L CB -0.545 41.479 42.059 -0.058 0.000 0.896 146 L HN 0.081 nan 8.230 nan 0.000 0.433 147 V N -1.261 118.778 119.914 0.207 0.000 2.358 147 V HA -0.247 3.873 4.120 -0.000 0.000 0.246 147 V C 2.606 178.831 176.094 0.218 0.000 1.047 147 V CA 1.740 64.166 62.300 0.211 0.000 1.035 147 V CB -0.740 31.170 31.823 0.144 0.000 0.658 147 V HN 0.485 nan 8.190 nan 0.000 0.452 148 S N -1.399 114.411 115.700 0.184 0.000 2.354 148 S HA -0.290 4.180 4.470 -0.000 0.000 0.219 148 S C 1.527 176.223 174.600 0.159 0.000 1.035 148 S CA 2.063 60.328 58.200 0.108 0.000 1.037 148 S CB -0.560 62.683 63.200 0.072 0.000 0.956 148 S HN 0.747 nan 8.310 nan 0.000 0.428 149 W N 1.919 123.256 121.300 0.061 0.000 2.275 149 W HA -0.304 4.356 4.660 -0.000 0.000 0.321 149 W C 2.173 178.736 176.519 0.072 0.000 1.269 149 W CA 2.113 59.494 57.345 0.059 0.000 1.274 149 W CB -0.384 29.130 29.460 0.090 0.000 1.141 149 W HN 0.274 nan 8.180 nan 0.000 0.493 150 M N -0.057 119.836 119.600 0.489 0.000 2.067 150 M HA -0.118 4.361 4.480 -0.000 0.000 0.260 150 M C 2.457 178.818 176.300 0.102 0.000 1.069 150 M CA 2.056 57.598 55.300 0.403 0.000 1.117 150 M CB -1.425 31.509 32.600 0.557 0.000 1.334 150 M HN 0.241 nan 8.290 nan 0.000 0.407 151 G N -0.172 108.686 108.800 0.097 0.000 2.469 151 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.219 151 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.219 151 G C 1.298 176.163 174.900 -0.057 0.000 1.150 151 G CA 1.364 46.484 45.100 0.033 0.000 0.763 151 G HN 0.462 nan 8.290 nan 0.000 0.561 152 E N -0.129 119.987 120.200 -0.140 0.000 2.038 152 E HA -0.146 4.204 4.350 -0.000 0.000 0.195 152 E C 2.652 179.073 176.600 -0.299 0.000 1.000 152 E CA 1.233 57.495 56.400 -0.231 0.000 0.803 152 E CB -0.029 29.467 29.700 -0.340 0.000 0.750 152 E HN 0.307 nan 8.360 nan 0.000 0.448 153 Q N -0.636 118.879 119.800 -0.475 0.000 2.500 153 Q HA -0.065 4.275 4.340 -0.000 0.000 0.213 153 Q C 1.611 177.518 176.000 -0.155 0.000 0.974 153 Q CA 0.980 56.518 55.803 -0.442 0.000 0.918 153 Q CB 0.172 28.454 28.738 -0.760 0.000 0.980 153 Q HN 0.293 nan 8.270 nan 0.000 0.505 154 A N 1.663 124.432 122.820 -0.084 0.000 1.871 154 A HA -0.121 4.198 4.320 -0.000 0.000 0.211 154 A C 1.951 179.517 177.584 -0.029 0.000 1.207 154 A CA 0.875 52.909 52.037 -0.005 0.000 0.620 154 A CB -0.259 18.759 19.000 0.029 0.000 0.860 154 A HN 0.437 nan 8.150 nan 0.000 0.450 155 E N 0.193 120.359 120.200 -0.056 0.000 2.409 155 E HA 0.062 4.412 4.350 -0.000 0.000 0.198 155 E C 1.258 177.825 176.600 -0.055 0.000 1.024 155 E CA 0.834 57.199 56.400 -0.058 0.000 0.861 155 E CB -0.195 29.464 29.700 -0.068 0.000 0.788 155 E HN 0.436 nan 8.360 nan 0.000 0.521 156 A N 0.935 123.711 122.820 -0.074 0.000 2.379 156 A HA 0.197 4.517 4.320 -0.000 0.000 0.236 156 A C 1.492 179.049 177.584 -0.046 0.000 1.272 156 A CA -0.186 51.806 52.037 -0.075 0.000 0.886 156 A CB 0.258 19.182 19.000 -0.128 0.000 0.962 156 A HN 0.301 nan 8.150 nan 0.000 0.504 157 L N -2.115 119.098 121.223 -0.018 0.000 3.086 157 L HA 0.312 4.652 4.340 -0.000 0.000 0.274 157 L C 1.106 177.991 176.870 0.026 0.000 1.184 157 L CA 1.437 56.284 54.840 0.012 0.000 1.002 157 L CB 0.091 42.175 42.059 0.040 0.000 1.383 157 L HN 0.666 nan 8.230 nan 0.000 0.582 158 G N 0.843 109.653 108.800 0.017 0.000 2.148 158 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.203 158 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.203 158 G C 0.115 175.036 174.900 0.036 0.000 0.993 158 G CA 0.219 45.335 45.100 0.027 0.000 0.661 158 G HN 0.394 nan 8.290 nan 0.000 0.518 159 V N -1.311 118.620 119.914 0.029 0.000 2.465 159 V HA 0.751 4.871 4.120 -0.000 0.000 0.279 159 V C 0.217 176.316 176.094 0.008 0.000 1.045 159 V CA -0.849 61.474 62.300 0.037 0.000 0.938 159 V CB 1.517 33.367 31.823 0.045 0.000 0.986 159 V HN 0.269 nan 8.190 nan 0.000 0.467 160 E N 4.370 124.595 120.200 0.042 0.000 2.003 160 E HA 0.328 4.678 4.350 -0.000 0.000 0.279 160 E C -0.178 176.310 176.600 -0.186 0.000 1.132 160 E CA -0.205 56.196 56.400 0.000 0.000 0.888 160 E CB 1.538 31.419 29.700 0.300 0.000 1.056 160 E HN 0.851 nan 8.360 nan 0.000 0.399 161 V N 3.652 123.311 119.914 -0.425 0.000 2.509 161 V HA 0.277 4.397 4.120 -0.000 0.000 0.284 161 V C -1.080 174.473 176.094 -0.901 0.000 1.047 161 V CA -0.317 61.739 62.300 -0.408 0.000 0.952 161 V CB 0.415 32.130 31.823 -0.181 0.000 0.988 161 V HN 0.586 nan 8.190 nan 0.000 0.469 162 Y N 6.469 126.811 120.300 0.070 0.000 2.511 162 Y HA 0.437 4.987 4.550 -0.000 0.000 0.356 162 Y C -1.906 174.045 175.900 0.085 0.000 1.002 162 Y CA -1.899 56.255 58.100 0.090 0.000 1.127 162 Y CB 1.369 39.903 38.460 0.124 0.000 1.137 162 Y HN 0.589 nan 8.280 nan 0.000 0.652 163 P HA 0.064 nan 4.420 nan 0.000 0.271 163 P C 0.806 178.101 177.300 -0.008 0.000 1.601 163 P CA 0.911 64.037 63.100 0.043 0.000 0.856 163 P CB -0.187 31.539 31.700 0.044 0.000 1.820 164 G N -1.381 107.405 108.800 -0.023 0.000 4.446 164 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.205 164 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.205 164 G C -0.760 173.991 174.900 -0.249 0.000 0.820 164 G CA -0.190 44.814 45.100 -0.160 0.000 0.792 164 G HN 0.291 nan 8.290 nan 0.000 0.525 165 Y N 1.880 122.221 120.300 0.068 0.000 2.464 165 Y HA 0.579 5.128 4.550 -0.000 0.000 0.326 165 Y C 0.624 176.557 175.900 0.055 0.000 0.969 165 Y CA -0.956 57.180 58.100 0.060 0.000 1.270 165 Y CB 1.750 40.251 38.460 0.067 0.000 1.103 165 Y HN 0.242 nan 8.280 nan 0.000 0.491 166 A N 3.042 126.044 122.820 0.304 0.000 2.450 166 A HA 0.576 4.896 4.320 -0.000 0.000 0.255 166 A C 0.096 177.769 177.584 0.147 0.000 1.096 166 A CA -0.228 51.918 52.037 0.181 0.000 0.778 166 A CB 0.080 19.161 19.000 0.136 0.000 1.031 166 A HN 0.794 nan 8.150 nan 0.000 0.494 167 A N 2.445 125.330 122.820 0.108 0.000 2.415 167 A HA 0.546 4.866 4.320 -0.000 0.000 0.309 167 A C 1.051 178.750 177.584 0.192 0.000 1.356 167 A CA 0.191 52.285 52.037 0.095 0.000 0.998 167 A CB -0.178 18.851 19.000 0.048 0.000 1.145 167 A HN 1.741 nan 8.150 nan 0.000 0.545 168 A N 2.171 125.095 122.820 0.173 0.000 2.169 168 A HA 0.341 4.661 4.320 -0.000 0.000 0.210 168 A C 0.714 178.417 177.584 0.198 0.000 1.168 168 A CA 0.589 52.787 52.037 0.268 0.000 0.813 168 A CB 0.181 19.329 19.000 0.246 0.000 0.861 168 A HN 0.750 nan 8.150 nan 0.000 0.481 169 E N -0.412 119.854 120.200 0.110 0.000 2.356 169 E HA 0.534 4.884 4.350 -0.000 0.000 0.275 169 E C -1.719 174.895 176.600 0.024 0.000 0.904 169 E CA -0.673 55.766 56.400 0.065 0.000 0.757 169 E CB 1.660 31.392 29.700 0.054 0.000 1.232 169 E HN 0.243 nan 8.360 nan 0.000 0.442 170 I N 4.679 125.254 120.570 0.008 0.000 2.297 170 I HA 0.230 4.400 4.170 -0.000 0.000 0.291 170 I C -0.111 175.887 176.117 -0.198 0.000 1.033 170 I CA -0.521 60.716 61.300 -0.104 0.000 1.253 170 I CB 0.621 38.512 38.000 -0.181 0.000 1.396 170 I HN 0.339 nan 8.210 nan 0.000 0.476 171 L N 6.627 127.706 121.223 -0.239 0.000 2.331 171 L HA 0.369 4.709 4.340 -0.000 0.000 0.278 171 L C -0.637 176.015 176.870 -0.364 0.000 1.106 171 L CA -0.033 54.673 54.840 -0.223 0.000 0.824 171 L CB 0.387 42.275 42.059 -0.286 0.000 1.142 171 L HN 0.407 nan 8.230 nan 0.000 0.443 172 F N 1.340 121.217 119.950 -0.121 0.000 2.480 172 F HA 0.420 4.946 4.527 -0.000 0.000 0.329 172 F C 0.758 176.493 175.800 -0.107 0.000 1.091 172 F CA -0.702 57.242 58.000 -0.092 0.000 0.972 172 F CB 1.120 40.102 39.000 -0.031 0.000 1.150 172 F HN 0.392 nan 8.300 nan 0.000 0.467 173 H N 1.019 120.220 119.070 0.218 0.000 2.581 173 H HA 0.111 4.667 4.556 -0.000 0.000 0.369 173 H C 0.724 176.127 175.328 0.125 0.000 1.351 173 H CA -0.038 56.093 56.048 0.137 0.000 1.434 173 H CB 0.913 30.743 29.762 0.113 0.000 1.558 173 H HN 0.542 nan 8.280 nan 0.000 0.608 174 E N 0.690 121.030 120.200 0.233 0.000 2.516 174 E HA -0.088 4.262 4.350 -0.000 0.000 0.199 174 E C 0.915 177.570 176.600 0.092 0.000 1.069 174 E CA 0.441 56.914 56.400 0.122 0.000 0.876 174 E CB -0.076 29.676 29.700 0.087 0.000 0.843 174 E HN 0.562 nan 8.360 nan 0.000 0.530 175 D N -2.505 117.972 120.400 0.129 0.000 2.379 175 D HA 0.092 4.732 4.640 -0.000 0.000 0.218 175 D C 1.444 177.798 176.300 0.089 0.000 1.006 175 D CA 0.994 55.048 54.000 0.090 0.000 0.893 175 D CB 0.297 41.150 40.800 0.088 0.000 1.019 175 D HN 0.170 nan 8.370 nan 0.000 0.503 176 G N 0.510 109.407 108.800 0.162 0.000 2.901 176 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.194 176 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.194 176 G C 0.403 175.530 174.900 0.378 0.000 1.020 176 G CA 0.236 45.428 45.100 0.153 0.000 0.787 176 G HN 0.623 nan 8.290 nan 0.000 0.477 177 S N 0.525 116.440 115.700 0.358 0.000 2.589 177 S HA 0.550 5.020 4.470 -0.000 0.000 0.265 177 S C 0.737 175.543 174.600 0.344 0.000 1.342 177 S CA 0.103 58.540 58.200 0.396 0.000 1.005 177 S CB 1.594 64.993 63.200 0.332 0.000 0.909 177 S HN 1.837 nan 8.310 nan 0.000 0.555 178 V N 0.251 120.293 119.914 0.212 0.000 2.583 178 V HA 0.439 4.558 4.120 -0.000 0.000 0.287 178 V C 0.954 176.951 176.094 -0.162 0.000 1.051 178 V CA -0.446 61.804 62.300 -0.083 0.000 1.010 178 V CB 0.975 32.777 31.823 -0.035 0.000 0.988 178 V HN 1.064 nan 8.190 nan 0.000 0.478 179 K N 3.243 123.371 120.400 -0.454 0.000 2.078 179 K HA 0.466 4.786 4.320 -0.000 0.000 0.203 179 K C 0.878 177.274 176.600 -0.340 0.000 1.043 179 K CA 1.093 56.980 56.287 -0.666 0.000 0.960 179 K CB 0.222 32.235 32.500 -0.812 0.000 0.761 179 K HN 1.133 nan 8.250 nan 0.000 0.448 180 G N -0.312 108.308 108.800 -0.299 0.000 2.399 180 G HA2 0.261 4.220 3.960 -0.000 0.000 0.256 180 G HA3 0.261 4.220 3.960 -0.000 0.000 0.256 180 G C -1.875 172.925 174.900 -0.166 0.000 1.236 180 G CA -0.792 44.195 45.100 -0.189 0.000 0.914 180 G HN 0.016 nan 8.290 nan 0.000 0.482 181 I N 0.935 121.420 120.570 -0.141 0.000 2.846 181 I HA 0.796 4.966 4.170 -0.000 0.000 0.307 181 I C 0.390 176.444 176.117 -0.104 0.000 1.053 181 I CA -0.921 60.313 61.300 -0.109 0.000 1.050 181 I CB 2.062 39.995 38.000 -0.111 0.000 1.239 181 I HN 1.005 nan 8.210 nan 0.000 0.439 182 A N 2.431 125.203 122.820 -0.079 0.000 2.304 182 A HA 0.679 4.999 4.320 -0.000 0.000 0.314 182 A C 0.012 177.538 177.584 -0.098 0.000 1.187 182 A CA -0.433 51.548 52.037 -0.094 0.000 0.810 182 A CB 0.553 19.511 19.000 -0.070 0.000 1.183 182 A HN 0.763 nan 8.150 nan 0.000 0.487 183 T N 0.985 115.420 114.554 -0.198 0.000 2.766 183 T HA 0.209 4.558 4.350 -0.000 0.000 0.295 183 T C 0.424 175.043 174.700 -0.135 0.000 1.024 183 T CA -0.505 61.453 62.100 -0.235 0.000 1.018 183 T CB 0.165 68.593 68.868 -0.734 0.000 1.002 183 T HN 0.794 nan 8.240 nan 0.000 0.532 184 N N 1.367 120.080 118.700 0.021 0.000 2.447 184 N HA -0.028 4.712 4.740 -0.000 0.000 0.263 184 N C -1.144 174.365 175.510 -0.001 0.000 1.226 184 N CA -0.270 52.829 53.050 0.081 0.000 0.906 184 N CB 0.082 38.673 38.487 0.173 0.000 1.060 184 N HN 0.545 nan 8.380 nan 0.000 0.468 185 D N 2.169 122.506 120.400 -0.106 0.000 2.348 185 D HA 0.093 4.733 4.640 -0.000 0.000 0.259 185 D C 0.509 176.643 176.300 -0.277 0.000 1.296 185 D CA -0.178 53.660 54.000 -0.270 0.000 0.931 185 D CB 0.540 41.101 40.800 -0.398 0.000 1.067 185 D HN 0.258 nan 8.370 nan 0.000 0.503 186 V N 1.381 121.170 119.914 -0.208 0.000 3.237 186 V HA 0.385 4.505 4.120 -0.000 0.000 0.305 186 V C 1.379 177.299 176.094 -0.289 0.000 1.096 186 V CA -0.002 62.206 62.300 -0.154 0.000 1.130 186 V CB 0.636 32.426 31.823 -0.055 0.000 1.048 186 V HN 0.873 nan 8.190 nan 0.000 0.484 187 G N 2.858 111.572 108.800 -0.144 0.000 2.540 187 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.260 187 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.260 187 G C -0.880 174.009 174.900 -0.017 0.000 0.993 187 G CA 0.196 45.242 45.100 -0.091 0.000 1.327 187 G HN 0.608 nan 8.290 nan 0.000 0.485 188 I N 0.366 120.969 120.570 0.054 0.000 3.181 188 I HA 0.422 4.592 4.170 -0.000 0.000 0.311 188 I C 0.060 176.237 176.117 0.100 0.000 1.287 188 I CA -1.249 60.143 61.300 0.154 0.000 0.958 188 I CB 2.313 40.454 38.000 0.236 0.000 1.294 188 I HN 0.579 nan 8.210 nan 0.000 0.467 189 Q N 1.965 121.826 119.800 0.102 0.000 2.297 189 Q HA 0.420 4.759 4.340 -0.000 0.000 0.269 189 Q C 0.038 176.082 176.000 0.073 0.000 1.051 189 Q CA -0.972 54.871 55.803 0.068 0.000 0.869 189 Q CB 2.102 30.863 28.738 0.039 0.000 1.346 189 Q HN 0.457 nan 8.270 nan 0.000 0.457 190 K N 0.457 120.891 120.400 0.057 0.000 2.442 190 K HA -0.216 4.104 4.320 -0.000 0.000 0.199 190 K C 0.587 177.220 176.600 0.055 0.000 1.044 190 K CA 1.980 58.300 56.287 0.055 0.000 0.941 190 K CB 0.111 32.639 32.500 0.046 0.000 0.759 190 K HN 0.740 nan 8.250 nan 0.000 0.472 191 D N -2.643 117.787 120.400 0.050 0.000 2.389 191 D HA 0.059 4.699 4.640 -0.000 0.000 0.206 191 D C 1.047 177.384 176.300 0.062 0.000 1.055 191 D CA 0.755 54.780 54.000 0.041 0.000 0.856 191 D CB 0.648 41.458 40.800 0.016 0.000 0.957 191 D HN 0.199 nan 8.370 nan 0.000 0.509 192 G N -0.632 108.229 108.800 0.101 0.000 2.231 192 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.206 192 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.206 192 G C 0.365 175.404 174.900 0.231 0.000 0.996 192 G CA -0.061 45.148 45.100 0.182 0.000 0.645 192 G HN 0.795 nan 8.290 nan 0.000 0.498 193 A N 2.085 124.940 122.820 0.058 0.000 2.290 193 A HA 0.819 5.138 4.320 -0.000 0.000 0.310 193 A C -1.004 176.455 177.584 -0.208 0.000 1.202 193 A CA -0.923 51.032 52.037 -0.137 0.000 0.837 193 A CB 0.957 19.861 19.000 -0.159 0.000 1.139 193 A HN 0.253 nan 8.150 nan 0.000 0.509 194 P HA -0.057 nan 4.420 nan 0.000 0.275 194 P C -0.529 176.682 177.300 -0.148 0.000 1.239 194 P CA 0.358 63.177 63.100 -0.468 0.000 0.820 194 P CB 0.443 31.488 31.700 -1.091 0.000 0.909 195 K N -1.431 118.982 120.400 0.022 0.000 2.443 195 K HA 0.327 4.647 4.320 -0.000 0.000 0.251 195 K C 1.346 177.974 176.600 0.047 0.000 0.972 195 K CA -0.255 56.058 56.287 0.045 0.000 0.833 195 K CB 0.924 33.483 32.500 0.098 0.000 1.317 195 K HN 0.462 nan 8.250 nan 0.000 0.441 196 T N -2.307 112.258 114.554 0.017 0.000 2.915 196 T HA -0.105 4.245 4.350 -0.000 0.000 0.269 196 T C 1.157 175.887 174.700 0.051 0.000 1.071 196 T CA 1.895 64.005 62.100 0.016 0.000 1.132 196 T CB -0.390 68.480 68.868 0.003 0.000 0.878 196 T HN 0.651 nan 8.240 nan 0.000 0.479 197 T N 0.340 114.929 114.554 0.059 0.000 2.985 197 T HA 0.192 4.542 4.350 -0.000 0.000 0.266 197 T C 0.569 175.321 174.700 0.086 0.000 1.076 197 T CA -0.432 61.702 62.100 0.056 0.000 1.135 197 T CB -0.815 68.070 68.868 0.028 0.000 0.890 197 T HN 0.467 nan 8.240 nan 0.000 0.480 198 F N 2.709 122.652 119.950 -0.013 0.000 2.517 198 F HA -0.033 4.494 4.527 -0.000 0.000 0.398 198 F C 0.639 176.442 175.800 0.005 0.000 1.005 198 F CA 0.596 58.598 58.000 0.002 0.000 1.221 198 F CB 0.237 39.231 39.000 -0.010 0.000 0.936 198 F HN 0.074 nan 8.300 nan 0.000 0.557 199 E N 5.688 125.613 120.200 -0.458 0.000 2.366 199 E HA 0.298 4.648 4.350 -0.000 0.000 0.278 199 E C -1.039 175.314 176.600 -0.413 0.000 0.923 199 E CA -1.066 55.213 56.400 -0.201 0.000 0.761 199 E CB 1.646 31.287 29.700 -0.098 0.000 1.231 199 E HN 0.564 nan 8.360 nan 0.000 0.443 200 R N 0.776 121.184 120.500 -0.153 0.000 2.410 200 R HA 0.396 4.736 4.340 -0.000 0.000 0.288 200 R C 0.401 176.574 176.300 -0.211 0.000 1.051 200 R CA -0.408 55.598 56.100 -0.158 0.000 1.021 200 R CB 1.254 31.512 30.300 -0.071 0.000 1.032 200 R HN 0.540 nan 8.270 nan 0.000 0.481 201 G N 1.659 110.328 108.800 -0.220 0.000 2.599 201 G HA2 0.140 4.100 3.960 -0.000 0.000 0.264 201 G HA3 0.140 4.100 3.960 -0.000 0.000 0.264 201 G C -0.207 174.528 174.900 -0.274 0.000 1.200 201 G CA -0.683 44.244 45.100 -0.288 0.000 0.896 201 G HN 0.297 nan 8.290 nan 0.000 0.536 202 L N -0.001 121.012 121.223 -0.350 0.000 2.456 202 L HA 0.258 4.598 4.340 -0.000 0.000 0.272 202 L C 0.324 177.102 176.870 -0.154 0.000 1.189 202 L CA 0.316 55.018 54.840 -0.229 0.000 0.846 202 L CB 1.131 43.028 42.059 -0.270 0.000 1.111 202 L HN 0.674 nan 8.230 nan 0.000 0.475 203 E N 3.870 124.038 120.200 -0.054 0.000 2.167 203 E HA 0.284 4.634 4.350 -0.000 0.000 0.247 203 E C -1.076 175.602 176.600 0.129 0.000 0.961 203 E CA -0.568 55.851 56.400 0.031 0.000 0.797 203 E CB 0.348 30.125 29.700 0.128 0.000 1.182 203 E HN 0.419 nan 8.360 nan 0.000 0.437 204 L N 4.556 125.794 121.223 0.026 0.000 2.283 204 L HA 0.242 4.582 4.340 -0.000 0.000 0.287 204 L C -0.455 176.464 176.870 0.081 0.000 1.073 204 L CA -0.276 54.596 54.840 0.053 0.000 0.822 204 L CB 0.267 42.298 42.059 -0.045 0.000 1.186 204 L HN 0.455 nan 8.230 nan 0.000 0.436 205 H N 2.618 121.668 119.070 -0.033 0.000 2.604 205 H HA 0.732 5.288 4.556 -0.000 0.000 0.306 205 H C -0.086 175.248 175.328 0.010 0.000 1.075 205 H CA -0.252 55.791 56.048 -0.009 0.000 1.357 205 H CB 1.119 30.894 29.762 0.021 0.000 1.426 205 H HN 0.698 nan 8.280 nan 0.000 0.470 206 A N 2.774 125.648 122.820 0.090 0.000 2.454 206 A HA 0.378 4.697 4.320 -0.000 0.000 0.302 206 A C 0.682 178.321 177.584 0.092 0.000 1.079 206 A CA -0.910 51.171 52.037 0.074 0.000 0.731 206 A CB 1.363 20.381 19.000 0.030 0.000 1.299 206 A HN 0.756 nan 8.150 nan 0.000 0.413 207 K N -0.357 120.085 120.400 0.072 0.000 2.097 207 K HA 0.116 4.436 4.320 -0.000 0.000 0.205 207 K C -0.243 176.388 176.600 0.052 0.000 1.050 207 K CA 1.396 57.723 56.287 0.066 0.000 0.938 207 K CB -0.010 32.507 32.500 0.028 0.000 0.718 207 K HN 0.394 nan 8.250 nan 0.000 0.442 208 V N 0.401 120.330 119.914 0.025 0.000 2.777 208 V HA 0.123 4.243 4.120 -0.000 0.000 0.306 208 V C -0.740 175.354 176.094 -0.001 0.000 1.112 208 V CA -0.976 61.322 62.300 -0.005 0.000 0.917 208 V CB 1.952 33.750 31.823 -0.042 0.000 1.018 208 V HN 0.098 nan 8.190 nan 0.000 0.426 209 T N 5.186 119.758 114.554 0.030 0.000 2.895 209 T HA 0.752 5.102 4.350 -0.000 0.000 0.283 209 T C -0.737 174.002 174.700 0.065 0.000 1.014 209 T CA -0.388 61.728 62.100 0.028 0.000 1.037 209 T CB 0.840 69.741 68.868 0.054 0.000 1.006 209 T HN 0.454 nan 8.240 nan 0.000 0.468 210 I N 4.696 125.244 120.570 -0.036 0.000 2.354 210 I HA 0.346 4.516 4.170 -0.000 0.000 0.286 210 I C -0.873 175.240 176.117 -0.006 0.000 1.007 210 I CA -0.773 60.540 61.300 0.021 0.000 1.167 210 I CB 0.930 38.918 38.000 -0.019 0.000 1.320 210 I HN 0.564 nan 8.210 nan 0.000 0.458 211 F N 5.468 125.430 119.950 0.019 0.000 2.375 211 F HA 0.430 4.957 4.527 -0.000 0.000 0.362 211 F C 0.822 176.661 175.800 0.065 0.000 1.129 211 F CA -0.501 57.532 58.000 0.056 0.000 1.154 211 F CB 1.181 40.230 39.000 0.081 0.000 1.205 211 F HN 0.481 nan 8.300 nan 0.000 0.513 212 A N 2.938 125.850 122.820 0.153 0.000 2.956 212 A HA 0.271 4.590 4.320 -0.000 0.000 0.294 212 A C 1.113 178.771 177.584 0.125 0.000 0.993 212 A CA -0.319 51.804 52.037 0.144 0.000 1.032 212 A CB -0.441 18.628 19.000 0.115 0.000 1.129 212 A HN 0.750 nan 8.150 nan 0.000 0.505 213 E N 0.581 120.865 120.200 0.140 0.000 2.510 213 E HA 0.162 4.511 4.350 -0.000 0.000 0.202 213 E C 1.263 177.914 176.600 0.086 0.000 1.072 213 E CA 0.608 57.077 56.400 0.115 0.000 0.883 213 E CB -0.069 29.714 29.700 0.138 0.000 0.818 213 E HN 0.993 nan 8.360 nan 0.000 0.548 214 G N 0.603 109.463 108.800 0.099 0.000 2.750 214 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.228 214 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.228 214 G C 0.031 174.980 174.900 0.082 0.000 1.367 214 G CA -0.515 44.637 45.100 0.085 0.000 0.871 214 G HN 0.360 nan 8.290 nan 0.000 0.560 215 C N 0.488 119.837 119.300 0.081 0.000 2.538 215 C HA 0.354 4.813 4.460 -0.000 0.000 0.408 215 C C 1.530 176.600 174.990 0.133 0.000 1.421 215 C CA 1.652 60.746 59.018 0.128 0.000 1.642 215 C CB -1.653 26.157 27.740 0.118 0.000 2.553 215 C HN 2.085 nan 8.230 nan 0.000 0.604 216 H N 2.455 121.571 119.070 0.077 0.000 2.496 216 H HA -0.162 4.394 4.556 -0.000 0.000 0.323 216 H C 0.658 175.938 175.328 -0.080 0.000 1.054 216 H CA 1.063 57.089 56.048 -0.037 0.000 1.095 216 H CB -1.062 28.515 29.762 -0.309 0.000 1.595 216 H HN 1.046 nan 8.280 nan 0.000 0.388 217 G N 1.688 110.455 108.800 -0.055 0.000 2.398 217 G HA2 0.137 4.097 3.960 -0.000 0.000 0.246 217 G HA3 0.137 4.097 3.960 -0.000 0.000 0.246 217 G C 1.131 175.984 174.900 -0.079 0.000 1.289 217 G CA 0.035 45.104 45.100 -0.051 0.000 0.869 217 G HN 0.810 nan 8.290 nan 0.000 0.543 218 H N 2.168 121.171 119.070 -0.112 0.000 2.489 218 H HA -0.014 4.541 4.556 -0.000 0.000 0.293 218 H C 1.702 177.001 175.328 -0.049 0.000 1.066 218 H CA 1.204 57.227 56.048 -0.041 0.000 1.305 218 H CB -0.050 29.853 29.762 0.235 0.000 1.386 218 H HN 0.413 nan 8.280 nan 0.000 0.551 219 L N -0.194 120.989 121.223 -0.068 0.000 2.416 219 L HA 0.209 4.548 4.340 -0.000 0.000 0.216 219 L C 2.840 179.585 176.870 -0.208 0.000 1.098 219 L CA 0.570 55.284 54.840 -0.211 0.000 0.840 219 L CB -0.236 41.912 42.059 0.149 0.000 0.981 219 L HN 0.357 nan 8.230 nan 0.000 0.462 220 A N 0.276 122.952 122.820 -0.239 0.000 1.872 220 A HA -0.221 4.099 4.320 -0.000 0.000 0.214 220 A C 2.283 179.447 177.584 -0.699 0.000 1.187 220 A CA 1.587 53.297 52.037 -0.545 0.000 0.614 220 A CB -0.361 18.291 19.000 -0.579 0.000 0.826 220 A HN 0.250 nan 8.150 nan 0.000 0.442 221 K N 0.082 120.202 120.400 -0.467 0.000 2.077 221 K HA -0.318 4.002 4.320 -0.000 0.000 0.213 221 K C 2.182 178.688 176.600 -0.157 0.000 1.051 221 K CA 2.281 58.420 56.287 -0.247 0.000 0.929 221 K CB -0.235 32.161 32.500 -0.173 0.000 0.715 221 K HN 0.806 nan 8.250 nan 0.000 0.451 222 Q N -0.247 119.444 119.800 -0.183 0.000 2.331 222 Q HA -0.010 4.330 4.340 -0.000 0.000 0.203 222 Q C 2.198 178.154 176.000 -0.074 0.000 0.944 222 Q CA 0.450 56.193 55.803 -0.100 0.000 0.892 222 Q CB -0.064 28.618 28.738 -0.094 0.000 0.983 222 Q HN 0.301 nan 8.270 nan 0.000 0.482 223 L N -0.103 120.995 121.223 -0.209 0.000 2.056 223 L HA -0.143 4.197 4.340 -0.000 0.000 0.207 223 L C 2.080 178.912 176.870 -0.062 0.000 1.078 223 L CA 1.089 55.770 54.840 -0.265 0.000 0.749 223 L CB -0.277 41.374 42.059 -0.680 0.000 0.901 223 L HN 0.197 nan 8.230 nan 0.000 0.433 224 Y N 0.205 120.440 120.300 -0.109 0.000 2.128 224 Y HA -0.320 4.230 4.550 -0.000 0.000 0.284 224 Y C 2.622 178.531 175.900 0.015 0.000 1.154 224 Y CA 1.390 59.462 58.100 -0.046 0.000 1.149 224 Y CB -0.922 37.525 38.460 -0.021 0.000 0.976 224 Y HN 0.078 nan 8.280 nan 0.000 0.505 225 K N 0.670 121.184 120.400 0.189 0.000 2.063 225 K HA -0.192 4.128 4.320 -0.000 0.000 0.208 225 K C 1.988 178.618 176.600 0.051 0.000 1.048 225 K CA 1.696 58.040 56.287 0.095 0.000 0.928 225 K CB -0.162 32.370 32.500 0.054 0.000 0.713 225 K HN -0.008 nan 8.250 nan 0.000 0.442 226 K N -1.154 119.286 120.400 0.067 0.000 2.116 226 K HA 0.073 4.393 4.320 -0.000 0.000 0.203 226 K C 1.556 178.064 176.600 -0.153 0.000 1.052 226 K CA 1.207 57.465 56.287 -0.048 0.000 0.952 226 K CB -0.061 32.428 32.500 -0.019 0.000 0.729 226 K HN 0.118 nan 8.250 nan 0.000 0.446 227 F N 0.026 119.937 119.950 -0.065 0.000 2.656 227 F HA 0.151 4.678 4.527 -0.000 0.000 0.291 227 F C -0.218 175.573 175.800 -0.015 0.000 1.122 227 F CA -0.013 57.958 58.000 -0.048 0.000 1.427 227 F CB 0.034 38.979 39.000 -0.091 0.000 1.125 227 F HN 0.008 nan 8.300 nan 0.000 0.583 228 D N 0.263 120.758 120.400 0.158 0.000 3.830 228 D HA -0.160 4.480 4.640 -0.000 0.000 0.247 228 D C 0.059 176.417 176.300 0.096 0.000 1.073 228 D CA 0.271 54.325 54.000 0.089 0.000 1.116 228 D CB -0.902 39.928 40.800 0.050 0.000 0.909 228 D HN 0.221 nan 8.370 nan 0.000 0.418 229 L N 1.925 123.190 121.223 0.069 0.000 2.609 229 L HA 0.270 4.610 4.340 -0.000 0.000 0.230 229 L C 2.114 178.952 176.870 -0.054 0.000 1.064 229 L CA -0.480 54.380 54.840 0.034 0.000 0.873 229 L CB -0.037 42.053 42.059 0.050 0.000 1.139 229 L HN 0.121 nan 8.230 nan 0.000 0.490 230 R N 1.186 121.620 120.500 -0.109 0.000 2.535 230 R HA 0.192 4.532 4.340 -0.000 0.000 0.233 230 R C 1.503 177.761 176.300 -0.069 0.000 1.202 230 R CA 0.560 56.571 56.100 -0.148 0.000 1.205 230 R CB -0.078 30.108 30.300 -0.190 0.000 1.153 230 R HN 0.288 nan 8.270 nan 0.000 0.512 231 A N 0.788 123.588 122.820 -0.034 0.000 1.930 231 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 231 A C 1.059 178.634 177.584 -0.014 0.000 1.176 231 A CA 1.009 53.039 52.037 -0.013 0.000 0.632 231 A CB 0.072 19.078 19.000 0.009 0.000 0.819 231 A HN 0.296 nan 8.150 nan 0.000 0.445 232 N N -1.020 117.669 118.700 -0.018 0.000 2.599 232 N HA 0.347 5.087 4.740 -0.000 0.000 0.309 232 N C -0.855 174.637 175.510 -0.029 0.000 1.743 232 N CA 0.112 53.154 53.050 -0.013 0.000 0.918 232 N CB 1.149 39.640 38.487 0.006 0.000 1.339 232 N HN 0.633 nan 8.380 nan 0.000 0.493 233 C N -2.476 116.792 119.300 -0.053 0.000 3.332 233 C HA 0.557 5.017 4.460 -0.000 0.000 0.329 233 C C -0.546 174.403 174.990 -0.068 0.000 1.434 233 C CA -1.158 57.814 59.018 -0.075 0.000 1.314 233 C CB 1.465 29.136 27.740 -0.117 0.000 1.664 233 C HN 0.187 nan 8.230 nan 0.000 0.457 234 E N 1.939 122.102 120.200 -0.061 0.000 2.250 234 E HA 0.517 4.867 4.350 -0.000 0.000 0.269 234 E C -2.265 174.297 176.600 -0.064 0.000 1.018 234 E CA -1.324 55.056 56.400 -0.033 0.000 0.873 234 E CB 1.361 31.076 29.700 0.025 0.000 1.134 234 E HN 0.592 nan 8.360 nan 0.000 0.403 235 P HA -0.074 nan 4.420 nan 0.000 0.270 235 P C -0.540 176.671 177.300 -0.149 0.000 1.227 235 P CA -0.056 62.990 63.100 -0.090 0.000 0.788 235 P CB 0.627 32.296 31.700 -0.051 0.000 0.926 236 Q N 0.454 120.129 119.800 -0.209 0.000 2.354 236 Q HA 0.294 4.634 4.340 -0.000 0.000 0.244 236 Q C -0.692 174.951 176.000 -0.595 0.000 0.969 236 Q CA 0.522 56.060 55.803 -0.443 0.000 0.885 236 Q CB 0.165 28.591 28.738 -0.519 0.000 1.241 236 Q HN 0.356 nan 8.270 nan 0.000 0.461 237 T N 3.580 117.673 114.554 -0.769 0.000 2.841 237 T HA 0.596 4.946 4.350 -0.000 0.000 0.283 237 T C -1.173 173.103 174.700 -0.707 0.000 1.000 237 T CA -0.292 61.448 62.100 -0.600 0.000 0.977 237 T CB 0.352 68.863 68.868 -0.595 0.000 0.979 237 T HN 0.406 nan 8.240 nan 0.000 0.446 238 Y N 0.199 120.381 120.300 -0.197 0.000 2.659 238 Y HA 0.803 5.353 4.550 -0.000 0.000 0.333 238 Y C 0.717 176.561 175.900 -0.093 0.000 1.064 238 Y CA -1.099 56.910 58.100 -0.151 0.000 1.141 238 Y CB 1.782 40.141 38.460 -0.169 0.000 1.316 238 Y HN 0.846 nan 8.280 nan 0.000 0.509 239 G N 0.309 109.193 108.800 0.140 0.000 2.659 239 G HA2 0.571 4.531 3.960 -0.000 0.000 0.296 239 G HA3 0.571 4.531 3.960 -0.000 0.000 0.296 239 G C -2.110 172.845 174.900 0.091 0.000 1.369 239 G CA -0.808 44.358 45.100 0.111 0.000 0.937 239 G HN 0.732 nan 8.290 nan 0.000 0.485 240 I N 1.296 121.919 120.570 0.089 0.000 2.354 240 I HA 0.748 4.918 4.170 -0.000 0.000 0.292 240 I C 0.184 176.330 176.117 0.049 0.000 0.989 240 I CA -0.830 60.511 61.300 0.069 0.000 1.188 240 I CB 1.385 39.447 38.000 0.104 0.000 1.342 240 I HN 0.541 nan 8.210 nan 0.000 0.457 241 G N 7.836 116.648 108.800 0.020 0.000 2.422 241 G HA2 0.611 4.570 3.960 -0.000 0.000 0.317 241 G HA3 0.611 4.570 3.960 -0.000 0.000 0.317 241 G C -1.290 173.586 174.900 -0.041 0.000 1.210 241 G CA -0.509 44.584 45.100 -0.012 0.000 0.930 241 G HN 0.483 nan 8.290 nan 0.000 0.468 242 L N 1.724 122.873 121.223 -0.123 0.000 2.325 242 L HA 0.701 5.040 4.340 -0.000 0.000 0.278 242 L C 0.320 176.975 176.870 -0.358 0.000 1.023 242 L CA -0.619 54.139 54.840 -0.137 0.000 0.811 242 L CB 2.026 44.147 42.059 0.103 0.000 1.249 242 L HN 0.584 nan 8.230 nan 0.000 0.431 243 K N 1.864 122.196 120.400 -0.112 0.000 2.466 243 K HA 0.796 5.116 4.320 -0.000 0.000 0.260 243 K C -1.728 175.048 176.600 0.293 0.000 1.011 243 K CA -0.606 55.681 56.287 0.001 0.000 0.871 243 K CB 2.564 35.086 32.500 0.038 0.000 1.404 243 K HN 0.788 nan 8.250 nan 0.000 0.450 244 E N 2.254 122.660 120.200 0.345 0.000 2.380 244 E HA 0.267 4.616 4.350 -0.000 0.000 0.281 244 E C -1.449 175.357 176.600 0.344 0.000 0.999 244 E CA -0.906 55.717 56.400 0.372 0.000 0.800 244 E CB 1.393 31.374 29.700 0.467 0.000 1.228 244 E HN 0.331 nan 8.360 nan 0.000 0.436 245 L N 1.876 123.225 121.223 0.211 0.000 2.307 245 L HA 0.532 4.872 4.340 -0.000 0.000 0.282 245 L C -1.137 175.815 176.870 0.137 0.000 1.051 245 L CA -0.502 54.458 54.840 0.200 0.000 0.804 245 L CB 0.628 42.755 42.059 0.112 0.000 1.197 245 L HN 0.551 nan 8.230 nan 0.000 0.431 246 W N 2.479 123.804 121.300 0.041 0.000 2.799 246 W HA 0.594 5.254 4.660 -0.000 0.000 0.349 246 W C -0.929 175.596 176.519 0.010 0.000 1.100 246 W CA -0.470 56.889 57.345 0.024 0.000 1.174 246 W CB 1.794 31.258 29.460 0.007 0.000 1.427 246 W HN -0.062 nan 8.180 nan 0.000 0.547 247 V N 4.955 125.000 119.914 0.218 0.000 2.378 247 V HA 0.448 4.567 4.120 -0.000 0.000 0.288 247 V C 0.004 176.197 176.094 0.164 0.000 1.016 247 V CA -0.850 61.514 62.300 0.108 0.000 0.840 247 V CB 0.424 32.268 31.823 0.034 0.000 0.994 247 V HN 0.442 nan 8.190 nan 0.000 0.431 248 I N 0.207 120.844 120.570 0.111 0.000 2.910 248 I HA 0.703 4.872 4.170 -0.000 0.000 0.310 248 I C -0.175 175.985 176.117 0.072 0.000 1.043 248 I CA -0.888 60.489 61.300 0.128 0.000 1.053 248 I CB 1.852 39.940 38.000 0.145 0.000 1.242 248 I HN 0.431 nan 8.210 nan 0.000 0.452 249 D N 3.092 123.546 120.400 0.090 0.000 2.487 249 D HA -0.096 4.544 4.640 -0.000 0.000 0.243 249 D C 1.195 177.563 176.300 0.114 0.000 1.154 249 D CA 0.558 54.605 54.000 0.079 0.000 0.876 249 D CB 1.037 41.883 40.800 0.077 0.000 1.161 249 D HN 0.817 nan 8.370 nan 0.000 0.478 250 E N 4.177 124.431 120.200 0.090 0.000 2.097 250 E HA -0.309 4.040 4.350 -0.000 0.000 0.196 250 E C 1.158 177.913 176.600 0.257 0.000 1.000 250 E CA 1.193 57.699 56.400 0.176 0.000 0.804 250 E CB 0.009 29.781 29.700 0.121 0.000 0.740 250 E HN 0.488 nan 8.360 nan 0.000 0.454 251 K N 0.814 121.310 120.400 0.160 0.000 2.107 251 K HA -0.193 4.126 4.320 -0.000 0.000 0.211 251 K C 1.708 178.394 176.600 0.144 0.000 1.049 251 K CA 2.136 58.501 56.287 0.130 0.000 0.927 251 K CB -0.227 32.323 32.500 0.084 0.000 0.714 251 K HN 0.320 nan 8.250 nan 0.000 0.452 252 K N -0.530 119.971 120.400 0.168 0.000 2.577 252 K HA 0.043 4.363 4.320 -0.000 0.000 0.210 252 K C -0.414 176.365 176.600 0.299 0.000 1.048 252 K CA -0.315 56.074 56.287 0.171 0.000 1.188 252 K CB -0.061 32.513 32.500 0.124 0.000 0.910 252 K HN 0.103 nan 8.250 nan 0.000 0.483 253 W N 2.260 123.622 121.300 0.102 0.000 2.329 253 W HA 0.332 4.992 4.660 -0.000 0.000 0.312 253 W C -0.840 175.677 176.519 -0.003 0.000 1.054 253 W CA -1.113 56.330 57.345 0.164 0.000 1.245 253 W CB 1.173 30.734 29.460 0.168 0.000 1.255 253 W HN -0.225 nan 8.180 nan 0.000 0.436 254 K N 8.549 128.586 120.400 -0.604 0.000 2.526 254 K HA 0.293 4.613 4.320 -0.000 0.000 0.214 254 K C -2.384 173.681 176.600 -0.892 0.000 1.088 254 K CA -2.318 53.481 56.287 -0.814 0.000 1.058 254 K CB 0.311 32.393 32.500 -0.695 0.000 1.653 254 K HN 0.198 nan 8.250 nan 0.000 0.521 255 P HA -0.094 nan 4.420 nan 0.000 0.261 255 P C 0.648 177.779 177.300 -0.281 0.000 1.165 255 P CA 1.171 63.868 63.100 -0.672 0.000 0.759 255 P CB 0.736 31.888 31.700 -0.913 0.000 0.772 256 G N 1.951 110.714 108.800 -0.062 0.000 2.175 256 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.244 256 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.244 256 G C 0.312 175.200 174.900 -0.021 0.000 0.982 256 G CA -0.031 45.049 45.100 -0.034 0.000 0.641 256 G HN 0.798 nan 8.290 nan 0.000 0.527 257 R N 0.279 120.781 120.500 0.003 0.000 2.410 257 R HA 0.599 4.939 4.340 -0.000 0.000 0.288 257 R C -0.098 176.329 176.300 0.212 0.000 1.051 257 R CA 0.148 56.282 56.100 0.057 0.000 1.021 257 R CB 1.429 31.698 30.300 -0.050 0.000 1.032 257 R HN 0.774 nan 8.270 nan 0.000 0.481 258 V N 1.310 121.325 119.914 0.168 0.000 2.483 258 V HA 0.468 4.588 4.120 -0.000 0.000 0.297 258 V C -1.485 174.775 176.094 0.277 0.000 1.027 258 V CA -0.818 61.615 62.300 0.221 0.000 0.855 258 V CB 1.806 33.615 31.823 -0.022 0.000 0.995 258 V HN 0.730 nan 8.190 nan 0.000 0.424 259 D N 3.334 123.893 120.400 0.265 0.000 2.308 259 D HA 0.685 5.325 4.640 -0.000 0.000 0.242 259 D C -0.844 175.454 176.300 -0.003 0.000 1.059 259 D CA 0.142 54.249 54.000 0.178 0.000 0.830 259 D CB 1.283 42.190 40.800 0.178 0.000 1.161 259 D HN 0.889 nan 8.370 nan 0.000 0.494 260 H N -0.457 118.710 119.070 0.162 0.000 2.679 260 H HA 0.750 5.306 4.556 -0.000 0.000 0.367 260 H C 0.022 175.166 175.328 -0.308 0.000 1.162 260 H CA -0.750 55.322 56.048 0.039 0.000 1.181 260 H CB 1.911 31.802 29.762 0.216 0.000 1.693 260 H HN 0.312 nan 8.280 nan 0.000 0.538 261 T N -0.888 113.526 114.554 -0.234 0.000 2.838 261 T HA 0.822 5.172 4.350 -0.000 0.000 0.292 261 T C -1.208 173.276 174.700 -0.359 0.000 1.113 261 T CA -0.719 61.151 62.100 -0.384 0.000 1.008 261 T CB 1.199 70.061 68.868 -0.010 0.000 1.259 261 T HN 0.369 nan 8.240 nan 0.000 0.520 262 V N -0.301 119.457 119.914 -0.261 0.000 3.204 262 V HA 0.843 4.963 4.120 -0.000 0.000 0.298 262 V C 0.774 176.853 176.094 -0.025 0.000 1.328 262 V CA 0.145 62.347 62.300 -0.162 0.000 1.035 262 V CB 1.174 32.941 31.823 -0.092 0.000 1.095 262 V HN 1.878 nan 8.190 nan 0.000 0.442 263 G N 1.003 109.794 108.800 -0.015 0.000 2.443 263 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.209 263 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.209 263 G C -0.646 174.406 174.900 0.253 0.000 1.176 263 G CA -0.026 45.174 45.100 0.167 0.000 1.074 263 G HN 1.575 nan 8.290 nan 0.000 0.577 264 W N 3.793 125.185 121.300 0.153 0.000 2.470 264 W HA 0.347 5.007 4.660 -0.000 0.000 0.341 264 W C -0.350 176.312 176.519 0.239 0.000 1.199 264 W CA 0.399 57.847 57.345 0.171 0.000 1.339 264 W CB 0.630 30.184 29.460 0.156 0.000 1.178 264 W HN 0.457 nan 8.180 nan 0.000 0.578 265 P HA -0.055 nan 4.420 nan 0.000 0.245 265 P C 0.094 177.148 177.300 -0.409 0.000 1.212 265 P CA 0.531 62.918 63.100 -1.188 0.000 0.774 265 P CB 0.215 31.042 31.700 -1.454 0.000 0.999 266 L N 1.872 123.043 121.223 -0.086 0.000 2.476 266 L HA 0.151 4.491 4.340 -0.000 0.000 0.255 266 L C 1.288 178.185 176.870 0.045 0.000 1.218 266 L CA 0.130 54.967 54.840 -0.005 0.000 0.819 266 L CB -0.257 41.814 42.059 0.020 0.000 1.119 266 L HN 0.074 nan 8.230 nan 0.000 0.485 267 D N 0.280 120.725 120.400 0.074 0.000 2.466 267 D HA 0.146 4.786 4.640 -0.000 0.000 0.262 267 D C 0.792 177.170 176.300 0.129 0.000 1.177 267 D CA -0.588 53.489 54.000 0.129 0.000 1.035 267 D CB 0.796 41.681 40.800 0.142 0.000 1.105 267 D HN 0.553 nan 8.370 nan 0.000 0.551 268 R N -0.642 119.960 120.500 0.170 0.000 2.237 268 R HA -0.083 4.257 4.340 -0.000 0.000 0.219 268 R C 0.998 177.244 176.300 -0.090 0.000 1.080 268 R CA 1.142 57.300 56.100 0.097 0.000 0.995 268 R CB -0.626 29.804 30.300 0.216 0.000 0.875 268 R HN 0.478 nan 8.270 nan 0.000 0.462 269 H N -0.274 118.876 119.070 0.132 0.000 2.551 269 H HA 0.219 4.775 4.556 -0.000 0.000 0.271 269 H C -0.374 175.030 175.328 0.126 0.000 0.984 269 H CA 0.370 56.492 56.048 0.123 0.000 1.164 269 H CB 0.903 30.731 29.762 0.109 0.000 1.437 269 H HN 0.064 nan 8.280 nan 0.000 0.550 270 T N 0.546 115.210 114.554 0.183 0.000 2.771 270 T HA 0.097 4.447 4.350 -0.000 0.000 0.281 270 T C -0.966 173.810 174.700 0.127 0.000 0.982 270 T CA -0.524 61.681 62.100 0.175 0.000 0.978 270 T CB 0.769 69.714 68.868 0.127 0.000 0.930 270 T HN 0.156 nan 8.240 nan 0.000 0.447 271 Y N 2.520 122.852 120.300 0.054 0.000 2.319 271 Y HA 0.573 5.123 4.550 -0.000 0.000 0.328 271 Y C 0.513 176.382 175.900 -0.051 0.000 1.133 271 Y CA 0.563 58.662 58.100 -0.001 0.000 1.265 271 Y CB 0.475 38.951 38.460 0.026 0.000 1.218 271 Y HN 0.914 nan 8.280 nan 0.000 0.508 272 G N 1.868 110.142 108.800 -0.877 0.000 2.339 272 G HA2 0.479 4.439 3.960 -0.000 0.000 0.302 272 G HA3 0.479 4.439 3.960 -0.000 0.000 0.302 272 G C -1.169 173.266 174.900 -0.776 0.000 1.425 272 G CA -0.226 44.444 45.100 -0.716 0.000 0.899 272 G HN 1.256 nan 8.290 nan 0.000 0.619 273 G N -1.207 107.033 108.800 -0.933 0.000 2.495 273 G HA2 0.916 4.876 3.960 -0.000 0.000 0.294 273 G HA3 0.916 4.876 3.960 -0.000 0.000 0.294 273 G C -0.398 173.813 174.900 -1.148 0.000 1.397 273 G CA 0.887 45.452 45.100 -0.891 0.000 0.790 273 G HN 2.063 nan 8.290 nan 0.000 0.486 274 S N -1.247 113.961 115.700 -0.820 0.000 2.648 274 S HA 0.906 5.376 4.470 -0.000 0.000 0.305 274 S C -0.801 173.564 174.600 -0.391 0.000 1.094 274 S CA -0.717 56.979 58.200 -0.840 0.000 0.983 274 S CB 1.774 64.138 63.200 -1.393 0.000 1.101 274 S HN 1.787 nan 8.310 nan 0.000 0.514 275 F N -0.480 119.162 119.950 -0.513 0.000 2.588 275 F HA 0.849 5.376 4.527 -0.000 0.000 0.310 275 F C -1.507 173.989 175.800 -0.507 0.000 1.082 275 F CA -1.381 56.280 58.000 -0.566 0.000 0.929 275 F CB 1.394 39.989 39.000 -0.675 0.000 1.254 275 F HN 0.705 nan 8.300 nan 0.000 0.455 276 L N 4.147 125.221 121.223 -0.247 0.000 2.528 276 L HA 0.531 4.870 4.340 -0.000 0.000 0.267 276 L C -2.048 174.930 176.870 0.180 0.000 0.961 276 L CA -0.502 54.278 54.840 -0.100 0.000 0.866 276 L CB 1.401 43.490 42.059 0.050 0.000 1.248 276 L HN 0.714 nan 8.230 nan 0.000 0.404 277 Y N 2.521 122.881 120.300 0.099 0.000 2.429 277 Y HA 0.453 5.003 4.550 -0.000 0.000 0.342 277 Y C -0.024 175.895 175.900 0.032 0.000 1.004 277 Y CA -1.181 56.979 58.100 0.099 0.000 1.075 277 Y CB 1.464 40.005 38.460 0.135 0.000 1.214 277 Y HN 0.387 nan 8.280 nan 0.000 0.455 278 H N 4.080 123.338 119.070 0.313 0.000 2.741 278 H HA 0.183 4.739 4.556 -0.000 0.000 0.282 278 H C -0.426 175.088 175.328 0.310 0.000 1.122 278 H CA -0.534 55.694 56.048 0.301 0.000 1.293 278 H CB 0.970 30.811 29.762 0.133 0.000 1.415 278 H HN 0.324 nan 8.280 nan 0.000 0.472 279 L N 3.034 124.528 121.223 0.453 0.000 2.456 279 L HA -0.042 4.297 4.340 -0.000 0.000 0.272 279 L C 1.096 178.274 176.870 0.513 0.000 1.189 279 L CA 0.397 55.465 54.840 0.381 0.000 0.846 279 L CB 0.280 42.512 42.059 0.288 0.000 1.111 279 L HN 0.613 nan 8.230 nan 0.000 0.475 280 N N 2.114 121.030 118.700 0.359 0.000 2.806 280 N HA 0.112 4.851 4.740 -0.000 0.000 0.315 280 N C -0.529 175.155 175.510 0.290 0.000 1.738 280 N CA -0.003 53.276 53.050 0.382 0.000 0.993 280 N CB 0.246 38.858 38.487 0.208 0.000 1.324 280 N HN 0.533 nan 8.380 nan 0.000 0.493 281 E N -0.084 120.282 120.200 0.276 0.000 2.969 281 E HA 0.308 4.658 4.350 -0.000 0.000 0.213 281 E C 0.653 177.340 176.600 0.145 0.000 1.107 281 E CA -0.328 56.184 56.400 0.186 0.000 1.007 281 E CB 0.326 30.128 29.700 0.170 0.000 1.326 281 E HN 0.574 nan 8.360 nan 0.000 0.432 282 G N 2.937 111.827 108.800 0.151 0.000 5.431 282 G HA2 -0.382 3.577 3.960 -0.000 0.000 0.322 282 G HA3 -0.382 3.577 3.960 -0.000 0.000 0.322 282 G C 0.270 175.168 174.900 -0.004 0.000 1.370 282 G CA 0.590 45.743 45.100 0.088 0.000 0.963 282 G HN 0.522 nan 8.290 nan 0.000 0.797 283 E N 3.409 123.564 120.200 -0.075 0.000 2.280 283 E HA 0.521 4.871 4.350 -0.000 0.000 0.264 283 E C -2.565 173.717 176.600 -0.531 0.000 1.064 283 E CA -1.779 54.476 56.400 -0.243 0.000 0.900 283 E CB 1.481 31.101 29.700 -0.133 0.000 1.123 283 E HN 0.379 nan 8.360 nan 0.000 0.418 284 P HA 0.114 nan 4.420 nan 0.000 0.247 284 P C -0.733 176.268 177.300 -0.498 0.000 1.756 284 P CA -0.004 62.300 63.100 -1.325 0.000 1.117 284 P CB -0.314 30.702 31.700 -1.140 0.000 1.869 285 L N 0.891 121.984 121.223 -0.217 0.000 2.334 285 L HA 0.721 5.060 4.340 -0.000 0.000 0.276 285 L C -1.090 175.867 176.870 0.145 0.000 1.014 285 L CA -1.441 53.411 54.840 0.021 0.000 0.815 285 L CB 1.595 43.686 42.059 0.053 0.000 1.268 285 L HN -0.081 nan 8.230 nan 0.000 0.428 286 L N 2.779 124.102 121.223 0.168 0.000 2.334 286 L HA 0.821 5.161 4.340 -0.000 0.000 0.272 286 L C -0.055 176.922 176.870 0.180 0.000 1.020 286 L CA -0.277 54.641 54.840 0.128 0.000 0.812 286 L CB 1.873 43.962 42.059 0.051 0.000 1.264 286 L HN 0.884 nan 8.230 nan 0.000 0.439 287 A N 5.035 127.946 122.820 0.152 0.000 2.293 287 A HA 0.729 5.049 4.320 -0.000 0.000 0.312 287 A C -1.187 176.423 177.584 0.043 0.000 1.309 287 A CA -0.438 51.708 52.037 0.182 0.000 0.839 287 A CB -0.025 19.130 19.000 0.258 0.000 1.155 287 A HN 0.575 nan 8.150 nan 0.000 0.501 288 L N 2.484 123.701 121.223 -0.011 0.000 2.322 288 L HA 0.885 5.225 4.340 -0.000 0.000 0.281 288 L C 0.545 177.030 176.870 -0.641 0.000 1.014 288 L CA -0.598 54.081 54.840 -0.268 0.000 0.815 288 L CB 2.029 44.123 42.059 0.059 0.000 1.247 288 L HN 0.730 nan 8.230 nan 0.000 0.421 289 G N 1.160 108.932 108.800 -1.713 0.000 2.727 289 G HA2 0.747 4.707 3.960 -0.000 0.000 0.289 289 G HA3 0.747 4.707 3.960 -0.000 0.000 0.289 289 G C -2.235 171.807 174.900 -1.430 0.000 1.418 289 G CA -0.347 43.684 45.100 -1.781 0.000 0.818 289 G HN 0.309 nan 8.290 nan 0.000 0.486 290 F N -1.049 118.168 119.950 -1.221 0.000 2.662 290 F HA 0.766 5.293 4.527 -0.000 0.000 0.312 290 F C -0.942 174.597 175.800 -0.436 0.000 1.113 290 F CA -0.656 56.825 58.000 -0.865 0.000 0.951 290 F CB 2.483 40.951 39.000 -0.886 0.000 1.344 290 F HN 0.451 nan 8.300 nan 0.000 0.462 291 V N 3.027 122.582 119.914 -0.599 0.000 2.932 291 V HA 0.672 4.792 4.120 -0.000 0.000 0.307 291 V C -1.443 174.491 176.094 -0.266 0.000 1.147 291 V CA -0.845 61.291 62.300 -0.274 0.000 0.951 291 V CB 1.999 33.709 31.823 -0.189 0.000 1.031 291 V HN 0.596 nan 8.190 nan 0.000 0.426 292 V N 1.959 121.863 119.914 -0.018 0.000 2.709 292 V HA 0.720 4.840 4.120 -0.000 0.000 0.308 292 V C 0.600 176.798 176.094 0.174 0.000 1.062 292 V CA -0.485 61.852 62.300 0.061 0.000 0.901 292 V CB 2.145 34.033 31.823 0.108 0.000 1.003 292 V HN 1.022 nan 8.190 nan 0.000 0.425 293 G N 2.800 111.764 108.800 0.272 0.000 2.378 293 G HA2 0.390 4.350 3.960 -0.000 0.000 0.255 293 G HA3 0.390 4.350 3.960 -0.000 0.000 0.255 293 G C 0.422 175.479 174.900 0.262 0.000 1.270 293 G CA -0.407 44.855 45.100 0.270 0.000 0.876 293 G HN 0.777 nan 8.290 nan 0.000 0.521 294 L N 2.022 123.345 121.223 0.166 0.000 2.713 294 L HA 0.087 4.427 4.340 -0.000 0.000 0.245 294 L C 1.053 177.911 176.870 -0.020 0.000 1.169 294 L CA 0.175 55.085 54.840 0.118 0.000 0.962 294 L CB -0.056 42.025 42.059 0.036 0.000 1.161 294 L HN 0.681 nan 8.230 nan 0.000 0.427 295 D N -1.510 118.909 120.400 0.030 0.000 2.559 295 D HA -0.036 4.604 4.640 -0.000 0.000 0.234 295 D C 0.266 176.568 176.300 0.004 0.000 1.226 295 D CA -0.517 53.452 54.000 -0.052 0.000 0.830 295 D CB -0.262 40.503 40.800 -0.059 0.000 1.028 295 D HN 0.275 nan 8.370 nan 0.000 0.492 296 Y N -0.523 119.796 120.300 0.032 0.000 2.326 296 Y HA 0.326 4.876 4.550 -0.000 0.000 0.333 296 Y C 1.462 177.374 175.900 0.020 0.000 1.240 296 Y CA -0.696 57.434 58.100 0.050 0.000 1.365 296 Y CB 0.868 39.379 38.460 0.085 0.000 1.289 296 Y HN -0.265 nan 8.280 nan 0.000 0.548 297 Q N 0.955 120.875 119.800 0.199 0.000 2.061 297 Q HA -0.069 4.271 4.340 -0.000 0.000 0.195 297 Q C 0.072 176.144 176.000 0.120 0.000 0.967 297 Q CA 0.658 56.511 55.803 0.083 0.000 0.829 297 Q CB -0.182 28.598 28.738 0.070 0.000 0.900 297 Q HN 0.717 nan 8.270 nan 0.000 0.450 298 N N 1.981 120.832 118.700 0.251 0.000 2.431 298 N HA 0.021 4.761 4.740 -0.000 0.000 0.265 298 N C -2.019 173.656 175.510 0.275 0.000 1.184 298 N CA -1.269 51.895 53.050 0.190 0.000 0.943 298 N CB 1.420 40.004 38.487 0.161 0.000 1.080 298 N HN -0.111 nan 8.380 nan 0.000 0.477 299 P HA -0.046 nan 4.420 nan 0.000 0.219 299 P C 0.364 177.715 177.300 0.085 0.000 1.150 299 P CA 1.064 64.183 63.100 0.031 0.000 0.814 299 P CB 0.051 31.653 31.700 -0.163 0.000 0.787 300 Y N -0.981 119.390 120.300 0.118 0.000 2.619 300 Y HA 0.101 4.651 4.550 -0.000 0.000 0.308 300 Y C 1.201 177.164 175.900 0.105 0.000 1.192 300 Y CA -0.620 57.525 58.100 0.075 0.000 1.319 300 Y CB -1.309 37.164 38.460 0.021 0.000 1.030 300 Y HN 0.012 nan 8.280 nan 0.000 0.517 301 L N 0.192 121.546 121.223 0.218 0.000 2.305 301 L HA 0.363 4.703 4.340 -0.000 0.000 0.281 301 L C 0.202 177.118 176.870 0.077 0.000 1.085 301 L CA -0.292 54.607 54.840 0.099 0.000 0.813 301 L CB 0.917 42.825 42.059 -0.252 0.000 1.157 301 L HN -0.094 nan 8.230 nan 0.000 0.436 302 S N 5.680 121.475 115.700 0.159 0.000 2.667 302 S HA 0.449 4.918 4.470 -0.000 0.000 0.304 302 S C -1.836 172.745 174.600 -0.031 0.000 1.135 302 S CA -1.456 56.766 58.200 0.037 0.000 1.125 302 S CB 1.378 64.549 63.200 -0.049 0.000 0.996 302 S HN 0.508 nan 8.310 nan 0.000 0.474 303 P HA -0.101 nan 4.420 nan 0.000 0.220 303 P C 0.802 178.200 177.300 0.164 0.000 1.144 303 P CA 0.804 63.969 63.100 0.110 0.000 0.800 303 P CB 0.034 31.843 31.700 0.181 0.000 0.772 304 F N 0.126 120.097 119.950 0.034 0.000 2.147 304 F HA 0.006 4.533 4.527 -0.000 0.000 0.291 304 F C 2.065 177.806 175.800 -0.097 0.000 1.093 304 F CA 0.995 59.044 58.000 0.080 0.000 1.263 304 F CB -0.195 38.858 39.000 0.088 0.000 1.036 304 F HN -0.346 nan 8.300 nan 0.000 0.481 305 R N 0.721 121.011 120.500 -0.350 0.000 2.152 305 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 305 R C 1.882 177.759 176.300 -0.705 0.000 1.117 305 R CA 0.999 56.666 56.100 -0.723 0.000 0.981 305 R CB -0.758 28.861 30.300 -1.135 0.000 0.870 305 R HN 0.397 nan 8.270 nan 0.000 0.451 306 E N 0.142 120.026 120.200 -0.526 0.000 2.107 306 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 306 E C 1.670 177.917 176.600 -0.588 0.000 0.982 306 E CA 0.550 56.708 56.400 -0.404 0.000 0.809 306 E CB -0.355 29.199 29.700 -0.243 0.000 0.756 306 E HN 0.165 nan 8.360 nan 0.000 0.459 307 F N 2.538 122.029 119.950 -0.766 0.000 2.134 307 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 307 F C 1.959 177.492 175.800 -0.446 0.000 1.097 307 F CA 1.369 58.911 58.000 -0.764 0.000 1.264 307 F CB -0.222 38.530 39.000 -0.413 0.000 1.001 307 F HN -0.069 nan 8.300 nan 0.000 0.479 308 Q N 0.275 119.662 119.800 -0.689 0.000 2.123 308 Q HA -0.142 4.198 4.340 -0.000 0.000 0.199 308 Q C 2.440 178.246 176.000 -0.323 0.000 0.966 308 Q CA 1.327 56.733 55.803 -0.661 0.000 0.845 308 Q CB -0.627 27.669 28.738 -0.737 0.000 0.907 308 Q HN 0.477 nan 8.270 nan 0.000 0.439 309 R N -0.154 120.171 120.500 -0.292 0.000 2.096 309 R HA -0.179 4.161 4.340 -0.000 0.000 0.235 309 R C 1.986 178.314 176.300 0.047 0.000 1.127 309 R CA 1.480 57.493 56.100 -0.144 0.000 0.968 309 R CB -0.406 29.791 30.300 -0.172 0.000 0.861 309 R HN 0.296 nan 8.270 nan 0.000 0.440 310 W N 1.772 122.934 121.300 -0.230 0.000 2.335 310 W HA -0.183 4.477 4.660 -0.000 0.000 0.311 310 W C 1.280 177.886 176.519 0.145 0.000 1.213 310 W CA 1.678 59.015 57.345 -0.014 0.000 1.274 310 W CB -0.092 29.210 29.460 -0.263 0.000 1.148 310 W HN -0.037 nan 8.180 nan 0.000 0.498 311 K N -0.815 119.497 120.400 -0.146 0.000 2.360 311 K HA -0.218 4.102 4.320 -0.000 0.000 0.201 311 K C 1.712 178.120 176.600 -0.319 0.000 1.046 311 K CA 1.233 57.227 56.287 -0.488 0.000 0.940 311 K CB -0.516 31.781 32.500 -0.339 0.000 0.748 311 K HN 0.441 nan 8.250 nan 0.000 0.465 312 H N -0.797 118.162 119.070 -0.184 0.000 2.548 312 H HA -0.033 4.523 4.556 -0.000 0.000 0.268 312 H C 0.535 175.762 175.328 -0.168 0.000 0.975 312 H CA 0.069 56.041 56.048 -0.128 0.000 1.195 312 H CB 0.194 29.945 29.762 -0.018 0.000 1.397 312 H HN 0.220 nan 8.280 nan 0.000 0.572 313 H N 3.282 122.254 119.070 -0.163 0.000 3.094 313 H HA -0.042 4.514 4.556 -0.000 0.000 0.320 313 H C -1.437 173.707 175.328 -0.306 0.000 1.000 313 H CA -1.124 54.740 56.048 -0.306 0.000 1.413 313 H CB 1.312 30.904 29.762 -0.284 0.000 1.405 313 H HN 0.176 nan 8.280 nan 0.000 0.586 314 P HA -0.197 nan 4.420 nan 0.000 0.219 314 P C 1.186 178.314 177.300 -0.288 0.000 1.144 314 P CA 1.725 64.529 63.100 -0.493 0.000 0.806 314 P CB 0.155 31.533 31.700 -0.538 0.000 0.771 315 S N -2.041 113.591 115.700 -0.113 0.000 2.548 315 S HA 0.133 4.603 4.470 -0.000 0.000 0.215 315 S C 1.638 176.213 174.600 -0.041 0.000 0.976 315 S CA -0.103 58.119 58.200 0.036 0.000 0.908 315 S CB -0.757 62.563 63.200 0.200 0.000 0.781 315 S HN 0.105 nan 8.310 nan 0.000 0.519 316 I N 0.070 120.551 120.570 -0.148 0.000 4.323 316 I HA 0.293 4.463 4.170 -0.000 0.000 0.328 316 I C 2.118 178.020 176.117 -0.360 0.000 1.310 316 I CA -0.089 61.024 61.300 -0.311 0.000 1.186 316 I CB 0.194 37.813 38.000 -0.635 0.000 1.130 316 I HN 0.148 nan 8.210 nan 0.000 0.411 317 K N 2.238 122.442 120.400 -0.327 0.000 2.002 317 K HA -0.124 4.196 4.320 -0.000 0.000 0.209 317 K C -0.725 175.722 176.600 -0.255 0.000 1.048 317 K CA 1.859 57.944 56.287 -0.337 0.000 0.930 317 K CB -0.712 31.587 32.500 -0.334 0.000 0.714 317 K HN 0.086 nan 8.250 nan 0.000 0.438 318 P HA -0.102 nan 4.420 nan 0.000 0.215 318 P C 0.794 178.035 177.300 -0.098 0.000 1.153 318 P CA 1.578 64.605 63.100 -0.120 0.000 0.853 318 P CB -0.071 31.575 31.700 -0.090 0.000 0.788 319 T N -0.041 114.448 114.554 -0.107 0.000 2.802 319 T HA -0.167 4.183 4.350 -0.000 0.000 0.269 319 T C 1.183 175.831 174.700 -0.087 0.000 1.062 319 T CA 1.693 63.754 62.100 -0.064 0.000 1.133 319 T CB -0.625 68.203 68.868 -0.066 0.000 0.852 319 T HN 0.146 nan 8.240 nan 0.000 0.485 320 L N -0.930 120.178 121.223 -0.192 0.000 2.966 320 L HA 0.546 4.886 4.340 -0.000 0.000 0.262 320 L C 0.235 177.051 176.870 -0.090 0.000 1.165 320 L CA -0.489 54.231 54.840 -0.198 0.000 0.978 320 L CB -0.476 41.218 42.059 -0.608 0.000 1.337 320 L HN -0.085 nan 8.230 nan 0.000 0.563 321 E N 1.812 121.953 120.200 -0.099 0.000 2.493 321 E HA 0.360 4.710 4.350 -0.000 0.000 0.255 321 E C 1.317 177.929 176.600 0.019 0.000 0.999 321 E CA 1.180 57.548 56.400 -0.054 0.000 0.934 321 E CB -0.102 29.552 29.700 -0.076 0.000 0.940 321 E HN 0.563 nan 8.360 nan 0.000 0.473 322 G N 2.783 111.623 108.800 0.067 0.000 2.141 322 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.242 322 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.242 322 G C 0.385 175.365 174.900 0.133 0.000 0.982 322 G CA -0.164 44.987 45.100 0.084 0.000 0.662 322 G HN 0.880 nan 8.290 nan 0.000 0.527 323 G N -0.823 108.118 108.800 0.234 0.000 2.583 323 G HA2 0.652 4.612 3.960 -0.000 0.000 0.280 323 G HA3 0.652 4.612 3.960 -0.000 0.000 0.280 323 G C -0.337 174.725 174.900 0.270 0.000 1.376 323 G CA -0.100 45.185 45.100 0.308 0.000 1.043 323 G HN 0.526 nan 8.290 nan 0.000 0.538 324 K N -0.007 120.488 120.400 0.160 0.000 2.578 324 K HA 0.294 4.614 4.320 -0.000 0.000 0.250 324 K C -0.519 175.846 176.600 -0.392 0.000 0.955 324 K CA -0.671 55.572 56.287 -0.073 0.000 0.825 324 K CB 1.542 34.026 32.500 -0.026 0.000 1.151 324 K HN 0.460 nan 8.250 nan 0.000 0.432 325 R N 5.567 125.576 120.500 -0.818 0.000 2.351 325 R HA 0.129 4.469 4.340 -0.000 0.000 0.318 325 R C 0.843 176.896 176.300 -0.411 0.000 1.055 325 R CA 0.129 55.542 56.100 -1.145 0.000 0.968 325 R CB 0.161 29.693 30.300 -1.280 0.000 0.974 325 R HN 0.753 nan 8.270 nan 0.000 0.439 326 I N 0.899 121.291 120.570 -0.297 0.000 4.025 326 I HA 0.475 4.645 4.170 -0.000 0.000 0.336 326 I C -0.280 175.834 176.117 -0.006 0.000 1.390 326 I CA -0.325 60.919 61.300 -0.095 0.000 1.099 326 I CB 0.814 38.785 38.000 -0.048 0.000 1.049 326 I HN 0.476 nan 8.210 nan 0.000 0.394 327 A N 0.636 123.463 122.820 0.010 0.000 2.583 327 A HA 0.697 5.017 4.320 -0.000 0.000 0.292 327 A C -2.123 175.600 177.584 0.233 0.000 1.045 327 A CA -0.427 51.687 52.037 0.128 0.000 0.672 327 A CB 1.092 20.164 19.000 0.120 0.000 1.283 327 A HN 0.353 nan 8.150 nan 0.000 0.419 328 Y N 0.053 120.444 120.300 0.152 0.000 2.581 328 Y HA 0.711 5.261 4.550 -0.000 0.000 0.337 328 Y C -0.137 175.919 175.900 0.259 0.000 1.108 328 Y CA 0.230 58.453 58.100 0.204 0.000 1.033 328 Y CB 1.664 40.251 38.460 0.211 0.000 1.318 328 Y HN 1.937 nan 8.280 nan 0.000 0.459 329 G N 1.310 109.656 108.800 -0.758 0.000 2.451 329 G HA2 0.753 4.713 3.960 -0.000 0.000 0.292 329 G HA3 0.753 4.713 3.960 -0.000 0.000 0.292 329 G C -2.313 172.275 174.900 -0.521 0.000 1.427 329 G CA -0.319 44.485 45.100 -0.493 0.000 0.792 329 G HN 1.390 nan 8.290 nan 0.000 0.498 330 A N 0.030 122.717 122.820 -0.222 0.000 2.566 330 A HA 0.947 5.267 4.320 -0.000 0.000 0.297 330 A C -0.966 176.590 177.584 -0.046 0.000 1.059 330 A CA -0.605 51.363 52.037 -0.116 0.000 0.691 330 A CB 2.301 21.279 19.000 -0.036 0.000 1.282 330 A HN 0.774 nan 8.150 nan 0.000 0.401 331 R N 0.008 120.481 120.500 -0.045 0.000 2.710 331 R HA 0.793 5.133 4.340 -0.000 0.000 0.270 331 R C -0.585 175.699 176.300 -0.025 0.000 1.021 331 R CA -0.031 56.045 56.100 -0.040 0.000 0.889 331 R CB 2.082 32.353 30.300 -0.048 0.000 1.243 331 R HN 1.303 nan 8.270 nan 0.000 0.464 332 A N 2.438 125.239 122.820 -0.032 0.000 2.279 332 A HA 0.803 5.122 4.320 -0.000 0.000 0.303 332 A C -0.437 177.171 177.584 0.041 0.000 1.108 332 A CA -0.529 51.505 52.037 -0.004 0.000 0.830 332 A CB 0.521 19.481 19.000 -0.067 0.000 1.106 332 A HN 0.525 nan 8.150 nan 0.000 0.493 333 L N -0.754 120.523 121.223 0.089 0.000 2.424 333 L HA 0.570 4.910 4.340 -0.000 0.000 0.258 333 L C -0.909 176.024 176.870 0.104 0.000 0.995 333 L CA -1.182 53.706 54.840 0.080 0.000 0.821 333 L CB 1.895 43.973 42.059 0.031 0.000 1.383 333 L HN 0.532 nan 8.230 nan 0.000 0.410 334 N N 1.677 120.393 118.700 0.028 0.000 2.444 334 N HA 0.175 4.915 4.740 -0.000 0.000 0.271 334 N C -0.477 174.928 175.510 -0.175 0.000 1.069 334 N CA -0.322 52.636 53.050 -0.153 0.000 0.965 334 N CB 1.633 40.011 38.487 -0.182 0.000 1.092 334 N HN 0.842 nan 8.380 nan 0.000 0.476 335 E N 0.067 120.105 120.200 -0.270 0.000 2.789 335 E HA 0.212 4.562 4.350 -0.000 0.000 0.208 335 E C 0.929 177.318 176.600 -0.351 0.000 0.988 335 E CA -0.511 55.741 56.400 -0.247 0.000 1.092 335 E CB 0.177 29.740 29.700 -0.229 0.000 1.066 335 E HN 0.601 nan 8.360 nan 0.000 0.465 336 G N 1.272 109.834 108.800 -0.397 0.000 2.453 336 G HA2 0.293 4.253 3.960 -0.000 0.000 0.215 336 G HA3 0.293 4.253 3.960 -0.000 0.000 0.215 336 G C 0.971 175.793 174.900 -0.131 0.000 1.147 336 G CA 0.356 45.191 45.100 -0.443 0.000 0.802 336 G HN 0.580 nan 8.290 nan 0.000 0.535 337 G N -0.182 108.548 108.800 -0.117 0.000 2.562 337 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.250 337 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.250 337 G C 0.734 175.640 174.900 0.010 0.000 1.269 337 G CA 0.299 45.387 45.100 -0.020 0.000 0.919 337 G HN 0.637 nan 8.290 nan 0.000 0.574 338 F N 1.410 121.292 119.950 -0.112 0.000 2.087 338 F HA -0.169 4.358 4.527 -0.000 0.000 0.299 338 F C 2.969 178.695 175.800 -0.123 0.000 1.100 338 F CA 3.106 61.008 58.000 -0.165 0.000 1.226 338 F CB -0.328 38.552 39.000 -0.201 0.000 0.983 338 F HN 0.492 nan 8.300 nan 0.000 0.479 339 Q N -0.597 119.204 119.800 0.003 0.000 2.291 339 Q HA -0.076 4.263 4.340 -0.000 0.000 0.205 339 Q C 1.825 177.764 176.000 -0.102 0.000 0.970 339 Q CA 1.498 57.264 55.803 -0.060 0.000 0.876 339 Q CB -0.349 28.374 28.738 -0.025 0.000 0.935 339 Q HN 0.231 nan 8.270 nan 0.000 0.455 340 S N -0.089 115.549 115.700 -0.103 0.000 2.597 340 S HA 0.251 4.721 4.470 -0.000 0.000 0.224 340 S C 0.221 174.694 174.600 -0.211 0.000 0.955 340 S CA -0.246 57.862 58.200 -0.153 0.000 0.933 340 S CB 0.179 63.268 63.200 -0.185 0.000 0.788 340 S HN 0.249 nan 8.310 nan 0.000 0.488 341 I N 4.736 125.169 120.570 -0.228 0.000 2.363 341 I HA 0.178 4.348 4.170 -0.000 0.000 0.292 341 I C -1.720 174.317 176.117 -0.134 0.000 1.075 341 I CA -1.822 59.358 61.300 -0.200 0.000 1.333 341 I CB 0.653 38.566 38.000 -0.144 0.000 1.415 341 I HN 0.067 nan 8.210 nan 0.000 0.502 342 P HA 0.148 nan 4.420 nan 0.000 0.307 342 P C -0.712 176.587 177.300 -0.001 0.000 1.306 342 P CA -0.719 62.303 63.100 -0.130 0.000 0.742 342 P CB 0.883 32.406 31.700 -0.295 0.000 1.349 343 K N -0.184 120.234 120.400 0.031 0.000 2.249 343 K HA 0.214 4.534 4.320 -0.000 0.000 0.280 343 K C 0.521 177.230 176.600 0.181 0.000 1.033 343 K CA -0.307 56.045 56.287 0.109 0.000 0.946 343 K CB 0.129 32.700 32.500 0.119 0.000 1.005 343 K HN 0.211 nan 8.250 nan 0.000 0.469 344 L N 2.235 123.607 121.223 0.249 0.000 2.640 344 L HA 0.126 4.466 4.340 -0.000 0.000 0.230 344 L C 0.474 177.517 176.870 0.288 0.000 1.123 344 L CA -0.183 54.866 54.840 0.348 0.000 0.900 344 L CB 0.152 42.559 42.059 0.580 0.000 1.146 344 L HN 0.546 nan 8.230 nan 0.000 0.484 345 T N -0.476 114.241 114.554 0.272 0.000 2.771 345 T HA 0.709 5.059 4.350 -0.000 0.000 0.281 345 T C -0.520 174.243 174.700 0.105 0.000 0.982 345 T CA -0.475 61.756 62.100 0.218 0.000 0.978 345 T CB 1.237 70.372 68.868 0.445 0.000 0.930 345 T HN 0.096 nan 8.240 nan 0.000 0.447 346 F N 0.118 119.831 119.950 -0.395 0.000 2.619 346 F HA 0.699 5.226 4.527 -0.000 0.000 0.308 346 F C -3.106 172.278 175.800 -0.693 0.000 1.097 346 F CA -3.194 54.345 58.000 -0.767 0.000 0.953 346 F CB 1.034 39.472 39.000 -0.937 0.000 1.287 346 F HN 0.271 nan 8.300 nan 0.000 0.446 347 P HA 0.246 nan 4.420 nan 0.000 0.264 347 P C 0.619 177.977 177.300 0.096 0.000 1.229 347 P CA 1.335 64.417 63.100 -0.031 0.000 0.780 347 P CB 0.794 32.579 31.700 0.142 0.000 0.808 348 G N 2.173 110.964 108.800 -0.014 0.000 2.380 348 G HA2 0.050 4.010 3.960 -0.000 0.000 0.197 348 G HA3 0.050 4.010 3.960 -0.000 0.000 0.197 348 G C 0.152 174.996 174.900 -0.093 0.000 1.001 348 G CA -0.112 45.008 45.100 0.034 0.000 0.668 348 G HN 0.930 nan 8.290 nan 0.000 0.483 349 G N -0.516 107.972 108.800 -0.519 0.000 2.368 349 G HA2 0.676 4.636 3.960 -0.000 0.000 0.293 349 G HA3 0.676 4.636 3.960 -0.000 0.000 0.293 349 G C -0.945 173.114 174.900 -1.402 0.000 1.467 349 G CA -0.034 44.709 45.100 -0.595 0.000 0.804 349 G HN 1.294 nan 8.290 nan 0.000 0.535 350 L N -1.904 118.896 121.223 -0.705 0.000 2.277 350 L HA 0.907 5.247 4.340 -0.000 0.000 0.254 350 L C -0.993 175.808 176.870 -0.115 0.000 1.044 350 L CA -1.212 53.267 54.840 -0.600 0.000 0.842 350 L CB 1.572 43.224 42.059 -0.678 0.000 1.422 350 L HN 0.526 nan 8.230 nan 0.000 0.422 351 L N 1.419 122.666 121.223 0.039 0.000 2.332 351 L HA 0.762 5.102 4.340 -0.000 0.000 0.269 351 L C -0.314 176.704 176.870 0.247 0.000 1.016 351 L CA -0.794 54.173 54.840 0.211 0.000 0.809 351 L CB 2.016 44.237 42.059 0.270 0.000 1.280 351 L HN 0.743 nan 8.230 nan 0.000 0.447 352 I N -2.264 118.486 120.570 0.301 0.000 2.836 352 I HA 0.761 4.931 4.170 -0.000 0.000 0.298 352 I C -0.180 176.137 176.117 0.333 0.000 1.600 352 I CA -0.497 61.046 61.300 0.406 0.000 0.972 352 I CB 1.611 39.773 38.000 0.268 0.000 1.385 352 I HN 0.758 nan 8.210 nan 0.000 0.520 353 G N 2.024 111.073 108.800 0.416 0.000 2.568 353 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.222 353 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.222 353 G C 0.154 175.200 174.900 0.243 0.000 1.321 353 G CA -0.127 45.150 45.100 0.294 0.000 0.893 353 G HN 1.128 nan 8.290 nan 0.000 0.569 354 C N 0.623 120.010 119.300 0.145 0.000 2.573 354 C HA 0.446 4.906 4.460 -0.000 0.000 0.273 354 C C 2.873 177.902 174.990 0.065 0.000 1.346 354 C CA 1.210 60.273 59.018 0.074 0.000 1.702 354 C CB -1.243 26.542 27.740 0.075 0.000 1.751 354 C HN 0.864 nan 8.230 nan 0.000 0.583 355 S N 2.082 117.839 115.700 0.095 0.000 2.357 355 S HA -0.045 4.424 4.470 -0.000 0.000 0.221 355 S C -0.466 174.211 174.600 0.128 0.000 1.031 355 S CA 1.460 59.733 58.200 0.121 0.000 0.982 355 S CB -0.723 62.548 63.200 0.119 0.000 0.853 355 S HN 0.420 nan 8.310 nan 0.000 0.458 356 P HA 0.200 nan 4.420 nan 0.000 0.214 356 P C 0.427 177.570 177.300 -0.261 0.000 1.162 356 P CA 1.269 64.334 63.100 -0.059 0.000 0.874 356 P CB -0.214 31.358 31.700 -0.214 0.000 0.784 357 G N -1.322 107.194 108.800 -0.473 0.000 2.730 357 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.644 357 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.644 357 G C -0.493 174.059 174.900 -0.580 0.000 1.168 357 G CA -0.827 44.034 45.100 -0.399 0.000 1.240 357 G HN 0.146 nan 8.290 nan 0.000 0.551 358 F N 1.567 121.524 119.950 0.012 0.000 2.841 358 F HA 0.447 4.973 4.527 -0.000 0.000 0.358 358 F C 0.893 176.677 175.800 -0.027 0.000 1.261 358 F CA -0.811 57.187 58.000 -0.002 0.000 1.233 358 F CB 0.922 39.922 39.000 0.001 0.000 1.008 358 F HN 0.412 nan 8.300 nan 0.000 0.507 359 M N 1.724 121.372 119.600 0.081 0.000 2.211 359 M HA 0.202 4.682 4.480 -0.000 0.000 0.356 359 M C 0.046 176.373 176.300 0.045 0.000 1.216 359 M CA 0.215 55.540 55.300 0.042 0.000 1.134 359 M CB 0.455 33.050 32.600 -0.007 0.000 1.564 359 M HN 0.027 nan 8.290 nan 0.000 0.463 360 N N 4.684 123.420 118.700 0.060 0.000 2.767 360 N HA 0.118 4.858 4.740 -0.000 0.000 0.238 360 N C 0.342 175.871 175.510 0.031 0.000 1.083 360 N CA -0.063 53.028 53.050 0.068 0.000 0.964 360 N CB 0.386 38.960 38.487 0.146 0.000 1.252 360 N HN 0.688 nan 8.380 nan 0.000 0.512 361 V N 3.951 123.860 119.914 -0.008 0.000 2.380 361 V HA -0.145 3.974 4.120 -0.000 0.000 0.251 361 V C -0.458 175.640 176.094 0.007 0.000 1.063 361 V CA 1.652 63.942 62.300 -0.017 0.000 1.055 361 V CB -1.182 30.596 31.823 -0.075 0.000 0.657 361 V HN 0.592 nan 8.190 nan 0.000 0.455 362 P HA -0.081 nan 4.420 nan 0.000 0.221 362 P C 1.412 178.701 177.300 -0.018 0.000 1.155 362 P CA 1.170 64.260 63.100 -0.017 0.000 0.812 362 P CB 0.159 31.816 31.700 -0.071 0.000 0.801 363 K N -0.319 120.081 120.400 -0.001 0.000 2.393 363 K HA 0.196 4.516 4.320 -0.000 0.000 0.193 363 K C 1.251 177.870 176.600 0.032 0.000 1.026 363 K CA -0.145 56.145 56.287 0.006 0.000 1.064 363 K CB -0.433 32.093 32.500 0.042 0.000 0.833 363 K HN -0.127 nan 8.250 nan 0.000 0.521 364 I N 0.305 120.901 120.570 0.042 0.000 5.935 364 I HA -0.358 3.812 4.170 -0.000 0.000 0.128 364 I C -1.438 174.719 176.117 0.067 0.000 1.817 364 I CA 0.638 61.969 61.300 0.051 0.000 2.060 364 I CB -0.288 37.749 38.000 0.062 0.000 3.409 364 I HN -0.007 nan 8.210 nan 0.000 0.176 365 K N 0.859 121.325 120.400 0.111 0.000 2.234 365 K HA 0.638 4.958 4.320 -0.000 0.000 0.277 365 K C 0.681 177.358 176.600 0.128 0.000 1.038 365 K CA 0.471 56.870 56.287 0.187 0.000 0.888 365 K CB 1.648 34.364 32.500 0.361 0.000 1.091 365 K HN 0.230 nan 8.250 nan 0.000 0.467 366 G N 0.745 109.576 108.800 0.052 0.000 2.663 366 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.200 366 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.200 366 G C 0.884 175.746 174.900 -0.062 0.000 1.114 366 G CA -0.179 44.908 45.100 -0.023 0.000 0.861 366 G HN 0.568 nan 8.290 nan 0.000 0.702 367 T N 1.612 116.174 114.554 0.014 0.000 2.684 367 T HA -0.159 4.191 4.350 -0.000 0.000 0.267 367 T C 2.226 176.970 174.700 0.072 0.000 1.036 367 T CA 1.690 63.825 62.100 0.058 0.000 1.148 367 T CB -0.467 68.452 68.868 0.085 0.000 0.863 367 T HN 0.615 nan 8.240 nan 0.000 0.436 368 H N 1.410 120.567 119.070 0.146 0.000 2.389 368 H HA -0.021 4.535 4.556 -0.000 0.000 0.299 368 H C 2.246 177.712 175.328 0.231 0.000 1.081 368 H CA 1.779 57.961 56.048 0.223 0.000 1.345 368 H CB -1.269 28.665 29.762 0.287 0.000 1.393 368 H HN 0.512 nan 8.280 nan 0.000 0.520 369 T N -0.952 113.350 114.554 -0.421 0.000 2.867 369 T HA 0.127 4.477 4.350 -0.000 0.000 0.268 369 T C 2.353 176.948 174.700 -0.175 0.000 1.057 369 T CA 1.053 62.980 62.100 -0.288 0.000 1.136 369 T CB -0.514 68.207 68.868 -0.245 0.000 0.874 369 T HN 0.476 nan 8.240 nan 0.000 0.466 370 A N 1.863 124.666 122.820 -0.029 0.000 1.897 370 A HA 0.163 4.483 4.320 -0.000 0.000 0.215 370 A C 2.493 180.109 177.584 0.053 0.000 1.181 370 A CA 1.436 53.521 52.037 0.079 0.000 0.620 370 A CB -0.747 18.326 19.000 0.120 0.000 0.821 370 A HN 0.516 nan 8.150 nan 0.000 0.443 371 M N -0.899 118.738 119.600 0.062 0.000 2.086 371 M HA -0.167 4.313 4.480 -0.000 0.000 0.261 371 M C 2.251 178.562 176.300 0.018 0.000 1.067 371 M CA 2.066 57.413 55.300 0.078 0.000 1.116 371 M CB -0.320 32.367 32.600 0.145 0.000 1.348 371 M HN 0.307 nan 8.290 nan 0.000 0.407 372 K N 1.029 121.401 120.400 -0.046 0.000 2.026 372 K HA -0.130 4.190 4.320 -0.000 0.000 0.208 372 K C 2.074 178.569 176.600 -0.175 0.000 1.048 372 K CA 2.228 58.415 56.287 -0.166 0.000 0.929 372 K CB -0.559 31.664 32.500 -0.462 0.000 0.713 372 K HN 0.394 nan 8.250 nan 0.000 0.439 373 S N -0.771 114.810 115.700 -0.198 0.000 2.374 373 S HA -0.127 4.343 4.470 -0.000 0.000 0.227 373 S C 2.234 176.887 174.600 0.088 0.000 1.037 373 S CA 1.332 59.470 58.200 -0.104 0.000 1.024 373 S CB -1.356 61.791 63.200 -0.089 0.000 0.861 373 S HN 0.419 nan 8.310 nan 0.000 0.456 374 G N 1.347 110.186 108.800 0.065 0.000 2.433 374 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.216 374 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.216 374 G C 1.534 176.462 174.900 0.048 0.000 1.186 374 G CA 1.422 46.566 45.100 0.074 0.000 0.779 374 G HN 0.541 nan 8.290 nan 0.000 0.543 375 T N 1.275 115.836 114.554 0.012 0.000 2.665 375 T HA -0.117 4.232 4.350 -0.000 0.000 0.268 375 T C 2.410 177.113 174.700 0.005 0.000 1.035 375 T CA 1.209 63.305 62.100 -0.007 0.000 1.151 375 T CB -0.250 68.600 68.868 -0.030 0.000 0.862 375 T HN 0.117 nan 8.240 nan 0.000 0.438 376 L N 0.323 121.546 121.223 0.000 0.000 2.056 376 L HA -0.058 4.281 4.340 -0.000 0.000 0.207 376 L C 2.923 179.872 176.870 0.133 0.000 1.078 376 L CA 1.196 56.047 54.840 0.018 0.000 0.749 376 L CB -0.557 41.464 42.059 -0.063 0.000 0.901 376 L HN 0.250 nan 8.230 nan 0.000 0.433 377 A N -0.216 122.739 122.820 0.224 0.000 1.858 377 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 377 A C 2.489 180.113 177.584 0.067 0.000 1.190 377 A CA 1.862 54.010 52.037 0.186 0.000 0.617 377 A CB -0.928 18.062 19.000 -0.017 0.000 0.827 377 A HN 0.420 nan 8.150 nan 0.000 0.443 378 A N -0.399 122.455 122.820 0.057 0.000 1.908 378 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 378 A C 1.927 179.566 177.584 0.091 0.000 1.181 378 A CA 1.767 53.842 52.037 0.064 0.000 0.627 378 A CB -0.607 18.426 19.000 0.055 0.000 0.818 378 A HN 0.655 nan 8.150 nan 0.000 0.445 379 E N -0.731 119.507 120.200 0.062 0.000 2.085 379 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 379 E C 2.198 178.853 176.600 0.092 0.000 0.994 379 E CA 1.443 57.871 56.400 0.047 0.000 0.801 379 E CB -0.157 29.551 29.700 0.014 0.000 0.743 379 E HN 0.547 nan 8.360 nan 0.000 0.453 380 S N -0.017 115.738 115.700 0.093 0.000 2.446 380 S HA 0.041 4.511 4.470 -0.000 0.000 0.225 380 S C 1.881 176.535 174.600 0.089 0.000 1.016 380 S CA 0.011 58.264 58.200 0.089 0.000 0.943 380 S CB 0.071 63.322 63.200 0.083 0.000 0.786 380 S HN 0.167 nan 8.310 nan 0.000 0.508 381 I N 0.473 121.092 120.570 0.082 0.000 2.163 381 I HA -0.217 3.952 4.170 -0.000 0.000 0.243 381 I C 2.065 178.233 176.117 0.085 0.000 1.085 381 I CA 1.440 62.771 61.300 0.051 0.000 1.347 381 I CB -0.326 37.694 38.000 0.033 0.000 1.044 381 I HN 0.314 nan 8.210 nan 0.000 0.408 382 F N 1.766 121.708 119.950 -0.014 0.000 2.075 382 F HA -0.230 4.297 4.527 -0.000 0.000 0.297 382 F C 2.357 178.132 175.800 -0.043 0.000 1.113 382 F CA 1.741 59.728 58.000 -0.021 0.000 1.218 382 F CB -0.733 38.262 39.000 -0.009 0.000 0.984 382 F HN 0.063 nan 8.300 nan 0.000 0.472 383 N N -0.017 118.903 118.700 0.366 0.000 2.192 383 N HA -0.266 4.474 4.740 -0.000 0.000 0.188 383 N C 1.905 177.460 175.510 0.074 0.000 1.013 383 N CA 1.454 54.630 53.050 0.210 0.000 0.863 383 N CB -0.222 38.331 38.487 0.110 0.000 0.990 383 N HN 0.535 nan 8.380 nan 0.000 0.430 384 Q N 0.280 120.103 119.800 0.037 0.000 2.302 384 Q HA 0.074 4.414 4.340 -0.000 0.000 0.202 384 Q C 1.940 177.908 176.000 -0.053 0.000 0.936 384 Q CA 0.130 55.928 55.803 -0.009 0.000 0.886 384 Q CB 0.320 29.056 28.738 -0.004 0.000 0.986 384 Q HN 0.360 nan 8.270 nan 0.000 0.487 385 L N 0.250 121.411 121.223 -0.103 0.000 2.478 385 L HA -0.030 4.310 4.340 -0.000 0.000 0.223 385 L C 1.784 178.534 176.870 -0.200 0.000 1.140 385 L CA 1.254 55.997 54.840 -0.161 0.000 0.842 385 L CB 0.010 41.928 42.059 -0.234 0.000 0.953 385 L HN 0.257 nan 8.230 nan 0.000 0.452 386 T N -6.529 107.907 114.554 -0.197 0.000 3.134 386 T HA 0.109 4.458 4.350 -0.000 0.000 0.260 386 T C 1.455 176.110 174.700 -0.076 0.000 1.027 386 T CA 0.193 62.193 62.100 -0.166 0.000 0.913 386 T CB 0.744 69.491 68.868 -0.201 0.000 1.046 386 T HN 0.006 nan 8.240 nan 0.000 0.553 387 S N 1.115 116.782 115.700 -0.054 0.000 2.475 387 S HA 0.175 4.645 4.470 -0.000 0.000 0.224 387 S C 0.679 175.262 174.600 -0.029 0.000 1.042 387 S CA 0.396 58.578 58.200 -0.030 0.000 0.935 387 S CB -0.307 62.882 63.200 -0.019 0.000 0.801 387 S HN 0.604 nan 8.310 nan 0.000 0.509 388 E N 1.367 121.545 120.200 -0.038 0.000 2.513 388 E HA -0.193 4.157 4.350 -0.000 0.000 0.257 388 E C -0.451 176.136 176.600 -0.022 0.000 1.098 388 E CA 0.743 57.124 56.400 -0.032 0.000 0.752 388 E CB -2.068 27.613 29.700 -0.031 0.000 1.324 388 E HN 0.849 nan 8.360 nan 0.000 0.403 389 N N -1.130 117.558 118.700 -0.020 0.000 2.432 389 N HA 0.531 5.271 4.740 -0.000 0.000 0.292 389 N C -0.376 175.126 175.510 -0.013 0.000 1.193 389 N CA -1.050 51.992 53.050 -0.014 0.000 0.878 389 N CB 0.787 39.267 38.487 -0.012 0.000 1.252 389 N HN -0.064 nan 8.380 nan 0.000 0.520 390 L N -0.024 121.193 121.223 -0.009 0.000 2.426 390 L HA 0.509 4.849 4.340 -0.000 0.000 0.271 390 L C 0.780 177.648 176.870 -0.004 0.000 1.169 390 L CA 0.325 55.161 54.840 -0.007 0.000 0.836 390 L CB -0.674 41.383 42.059 -0.004 0.000 1.112 390 L HN 0.986 nan 8.230 nan 0.000 0.465 391 Q N 1.105 120.905 119.800 0.000 0.000 2.630 391 Q HA 0.645 4.984 4.340 -0.000 0.000 0.295 391 Q C 0.134 176.146 176.000 0.019 0.000 0.944 391 Q CA 0.119 55.926 55.803 0.007 0.000 0.766 391 Q CB 1.545 nan 28.738 nan 0.000 1.471 391 Q HN 1.125 nan 8.270 nan 0.000 0.416 392 S N -0.464 115.257 115.700 0.037 0.000 4.001 392 S HA -0.103 4.367 4.470 -0.000 0.000 0.628 392 S C 0.068 174.697 174.600 0.048 0.000 2.073 392 S CA 1.396 59.632 58.200 0.059 0.000 3.995 392 S CB -1.283 61.950 63.200 0.055 0.000 0.226 392 S HN 2.533 nan 8.310 nan 0.000 0.729 393 K N 1.226 121.649 120.400 0.039 0.000 3.036 393 K HA -0.018 4.302 4.320 -0.000 0.000 0.303 393 K C 0.298 176.927 176.600 0.048 0.000 1.215 393 K CA 1.630 57.933 56.287 0.028 0.000 0.774 393 K CB -2.281 30.235 32.500 0.025 0.000 1.543 393 K HN 1.802 nan 8.250 nan 0.000 0.484 394 T N -2.966 111.617 114.554 0.049 0.000 3.852 394 T HA 0.076 4.426 4.350 -0.000 0.000 0.302 394 T C 1.233 175.963 174.700 0.050 0.000 0.887 394 T CA 0.290 62.441 62.100 0.085 0.000 0.826 394 T CB -0.817 68.133 68.868 0.136 0.000 1.185 394 T HN 0.496 nan 8.240 nan 0.000 0.787 395 I N 1.264 121.827 120.570 -0.012 0.000 3.793 395 I HA -0.282 3.888 4.170 -0.000 0.000 0.157 395 I C 0.768 176.888 176.117 0.005 0.000 0.438 395 I CA 1.931 63.187 61.300 -0.073 0.000 1.221 395 I CB -1.213 36.629 38.000 -0.263 0.000 1.062 395 I HN 0.604 nan 8.210 nan 0.000 0.236 396 G N 2.384 111.249 108.800 0.110 0.000 2.432 396 G HA2 0.486 4.446 3.960 -0.000 0.000 0.257 396 G HA3 0.486 4.446 3.960 -0.000 0.000 0.257 396 G C -0.493 174.474 174.900 0.113 0.000 1.238 396 G CA -0.525 44.686 45.100 0.185 0.000 0.838 396 G HN 0.296 nan 8.290 nan 0.000 0.547 397 L N 1.649 122.917 121.223 0.074 0.000 2.292 397 L HA 0.253 4.593 4.340 -0.000 0.000 0.284 397 L C 0.151 177.064 176.870 0.072 0.000 1.065 397 L CA -0.557 54.319 54.840 0.061 0.000 0.806 397 L CB 1.328 43.402 42.059 0.025 0.000 1.175 397 L HN 0.656 nan 8.230 nan 0.000 0.431 398 H N 3.616 122.673 119.070 -0.021 0.000 2.690 398 H HA 0.313 4.869 4.556 -0.000 0.000 0.280 398 H C -0.934 174.369 175.328 -0.041 0.000 1.138 398 H CA -0.885 55.136 56.048 -0.044 0.000 1.241 398 H CB 1.034 30.808 29.762 0.019 0.000 1.394 398 H HN 0.298 nan 8.280 nan 0.000 0.489 399 V N 5.921 125.879 119.914 0.073 0.000 2.370 399 V HA -0.038 4.082 4.120 -0.000 0.000 0.257 399 V C 1.392 177.474 176.094 -0.020 0.000 1.064 399 V CA 0.253 62.551 62.300 -0.004 0.000 0.975 399 V CB 0.570 32.389 31.823 -0.007 0.000 1.067 399 V HN 0.896 nan 8.190 nan 0.000 0.485 400 T N -0.410 114.073 114.554 -0.118 0.000 3.107 400 T HA 0.118 4.468 4.350 -0.000 0.000 0.249 400 T C 1.123 175.791 174.700 -0.053 0.000 1.096 400 T CA 0.182 62.204 62.100 -0.130 0.000 1.012 400 T CB 0.183 68.910 68.868 -0.235 0.000 0.977 400 T HN 0.610 nan 8.240 nan 0.000 0.527 401 E N -0.068 120.125 120.200 -0.011 0.000 2.276 401 E HA 0.030 4.380 4.350 -0.000 0.000 0.193 401 E C 1.454 178.056 176.600 0.003 0.000 0.983 401 E CA 0.102 56.491 56.400 -0.018 0.000 0.861 401 E CB -0.057 29.638 29.700 -0.007 0.000 0.817 401 E HN 0.712 nan 8.360 nan 0.000 0.485 402 Y N 2.147 122.406 120.300 -0.069 0.000 2.081 402 Y HA -0.280 4.270 4.550 -0.000 0.000 0.280 402 Y C 2.199 178.048 175.900 -0.084 0.000 1.163 402 Y CA 1.987 60.049 58.100 -0.064 0.000 1.135 402 Y CB -0.071 38.365 38.460 -0.041 0.000 0.970 402 Y HN -0.038 nan 8.280 nan 0.000 0.498 403 E N 0.160 120.263 120.200 -0.161 0.000 2.058 403 E HA -0.235 4.115 4.350 -0.000 0.000 0.194 403 E C 1.683 178.072 176.600 -0.351 0.000 0.997 403 E CA 1.892 58.108 56.400 -0.307 0.000 0.801 403 E CB -0.215 29.444 29.700 -0.068 0.000 0.746 403 E HN 0.627 nan 8.360 nan 0.000 0.450 404 D N 0.471 120.729 120.400 -0.237 0.000 2.088 404 D HA -0.146 4.494 4.640 -0.000 0.000 0.191 404 D C 1.652 177.792 176.300 -0.268 0.000 0.992 404 D CA 0.921 54.778 54.000 -0.238 0.000 0.831 404 D CB -0.543 40.166 40.800 -0.152 0.000 0.973 404 D HN 0.101 nan 8.370 nan 0.000 0.447 405 N N 0.184 118.756 118.700 -0.214 0.000 2.258 405 N HA -0.141 4.599 4.740 -0.000 0.000 0.187 405 N C 1.771 177.120 175.510 -0.269 0.000 1.012 405 N CA 0.387 53.320 53.050 -0.196 0.000 0.870 405 N CB -0.136 38.271 38.487 -0.133 0.000 0.977 405 N HN 0.161 nan 8.380 nan 0.000 0.434 406 L N 1.634 122.622 121.223 -0.391 0.000 2.068 406 L HA 0.002 4.342 4.340 -0.000 0.000 0.204 406 L C 1.636 178.261 176.870 -0.408 0.000 1.076 406 L CA 1.607 56.183 54.840 -0.441 0.000 0.753 406 L CB -0.273 41.408 42.059 -0.631 0.000 0.910 406 L HN -0.116 nan 8.230 nan 0.000 0.439 407 K N -0.414 119.602 120.400 -0.639 0.000 2.574 407 K HA -0.038 4.282 4.320 -0.000 0.000 0.193 407 K C 0.948 177.176 176.600 -0.620 0.000 1.035 407 K CA 0.441 56.040 56.287 -1.146 0.000 0.982 407 K CB -0.139 31.560 32.500 -1.335 0.000 0.795 407 K HN 0.376 nan 8.250 nan 0.000 0.491 408 N N 0.348 118.857 118.700 -0.318 0.000 2.171 408 N HA -0.006 4.734 4.740 -0.000 0.000 0.212 408 N C -0.038 175.437 175.510 -0.059 0.000 1.184 408 N CA 0.095 53.053 53.050 -0.153 0.000 0.888 408 N CB 0.817 39.216 38.487 -0.148 0.000 1.038 408 N HN 0.112 nan 8.380 nan 0.000 0.517 409 S N -0.179 115.471 115.700 -0.083 0.000 2.707 409 S HA 0.174 4.643 4.470 -0.000 0.000 0.276 409 S C 1.561 176.199 174.600 0.064 0.000 1.179 409 S CA -0.934 57.217 58.200 -0.080 0.000 0.992 409 S CB 0.323 63.352 63.200 -0.286 0.000 1.030 409 S HN 0.380 nan 8.310 nan 0.000 0.554 410 W N -0.179 121.157 121.300 0.060 0.000 2.421 410 W HA -0.016 4.644 4.660 -0.000 0.000 0.270 410 W C 1.041 177.630 176.519 0.117 0.000 1.233 410 W CA 0.536 57.933 57.345 0.086 0.000 1.226 410 W CB -1.409 28.093 29.460 0.069 0.000 1.121 410 W HN 0.377 nan 8.180 nan 0.000 0.579 411 V N 1.210 121.090 119.914 -0.057 0.000 2.407 411 V HA -0.317 3.803 4.120 -0.000 0.000 0.248 411 V C 2.454 178.678 176.094 0.218 0.000 1.055 411 V CA 2.309 64.581 62.300 -0.047 0.000 1.049 411 V CB -1.069 30.488 31.823 -0.444 0.000 0.662 411 V HN 0.375 nan 8.190 nan 0.000 0.455 412 W N 0.885 122.202 121.300 0.028 0.000 2.353 412 W HA -0.190 4.470 4.660 -0.000 0.000 0.319 412 W C 2.558 179.210 176.519 0.221 0.000 1.207 412 W CA 1.602 59.038 57.345 0.152 0.000 1.291 412 W CB -0.070 29.441 29.460 0.084 0.000 1.159 412 W HN 0.156 nan 8.180 nan 0.000 0.478 413 K N 0.554 121.127 120.400 0.289 0.000 2.032 413 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 413 K C 1.673 178.367 176.600 0.156 0.000 1.048 413 K CA 2.019 58.411 56.287 0.175 0.000 0.927 413 K CB -1.102 31.517 32.500 0.198 0.000 0.712 413 K HN 0.365 nan 8.250 nan 0.000 0.441 414 E N 1.006 121.346 120.200 0.234 0.000 2.070 414 E HA -0.186 4.164 4.350 -0.000 0.000 0.197 414 E C 2.058 178.732 176.600 0.122 0.000 1.004 414 E CA 1.266 57.798 56.400 0.219 0.000 0.805 414 E CB -0.118 29.806 29.700 0.374 0.000 0.744 414 E HN 0.203 nan 8.360 nan 0.000 0.451 415 L N -0.253 121.046 121.223 0.126 0.000 2.217 415 L HA -0.117 4.222 4.340 -0.000 0.000 0.211 415 L C 2.391 179.210 176.870 -0.085 0.000 1.107 415 L CA 0.826 55.716 54.840 0.083 0.000 0.783 415 L CB -0.413 41.760 42.059 0.189 0.000 0.919 415 L HN 0.294 nan 8.230 nan 0.000 0.442 416 Y N 1.149 121.181 120.300 -0.447 0.000 2.133 416 Y HA -0.296 4.254 4.550 -0.000 0.000 0.287 416 Y C 2.973 178.564 175.900 -0.515 0.000 1.134 416 Y CA 1.479 58.996 58.100 -0.971 0.000 1.133 416 Y CB -0.431 37.422 38.460 -1.011 0.000 0.987 416 Y HN 0.254 nan 8.280 nan 0.000 0.502 417 S N -0.174 115.385 115.700 -0.236 0.000 2.380 417 S HA -0.240 4.230 4.470 -0.000 0.000 0.229 417 S C 1.715 176.100 174.600 -0.359 0.000 1.043 417 S CA 2.158 60.238 58.200 -0.199 0.000 1.038 417 S CB -1.711 61.523 63.200 0.057 0.000 0.872 417 S HN 0.498 nan 8.310 nan 0.000 0.456 418 V N 1.205 120.899 119.914 -0.367 0.000 3.514 418 V HA 0.306 4.426 4.120 -0.000 0.000 0.301 418 V C 2.242 178.136 176.094 -0.334 0.000 1.346 418 V CA 0.206 62.236 62.300 -0.449 0.000 1.156 418 V CB -1.056 30.547 31.823 -0.368 0.000 1.029 418 V HN 0.614 nan 8.190 nan 0.000 0.428 419 R N 1.108 121.388 120.500 -0.368 0.000 2.133 419 R HA -0.194 4.146 4.340 -0.000 0.000 0.247 419 R C 1.268 177.412 176.300 -0.260 0.000 1.151 419 R CA 2.272 58.199 56.100 -0.287 0.000 0.971 419 R CB -0.853 29.186 30.300 -0.434 0.000 0.866 419 R HN 0.550 nan 8.270 nan 0.000 0.447 420 N N 0.528 119.045 118.700 -0.306 0.000 2.336 420 N HA 0.121 4.861 4.740 -0.000 0.000 0.189 420 N C 1.674 176.926 175.510 -0.431 0.000 1.113 420 N CA 0.361 53.214 53.050 -0.329 0.000 0.858 420 N CB 0.197 38.535 38.487 -0.247 0.000 0.970 420 N HN 0.342 nan 8.380 nan 0.000 0.471 421 I N 0.504 120.889 120.570 -0.308 0.000 2.163 421 I HA -0.182 3.988 4.170 -0.000 0.000 0.240 421 I C 2.636 178.597 176.117 -0.261 0.000 1.081 421 I CA 0.840 61.986 61.300 -0.257 0.000 1.353 421 I CB -0.121 37.777 38.000 -0.171 0.000 1.054 421 I HN 0.036 nan 8.210 nan 0.000 0.407 422 R N 1.094 121.452 120.500 -0.237 0.000 2.070 422 R HA -0.132 4.207 4.340 -0.000 0.000 0.233 422 R C -0.342 175.710 176.300 -0.413 0.000 1.137 422 R CA 1.941 57.867 56.100 -0.290 0.000 0.945 422 R CB -1.697 28.428 30.300 -0.293 0.000 0.845 422 R HN 0.280 nan 8.270 nan 0.000 0.430 423 P HA -0.119 nan 4.420 nan 0.000 0.220 423 P C 0.976 177.880 177.300 -0.659 0.000 1.144 423 P CA 1.572 64.281 63.100 -0.652 0.000 0.800 423 P CB -0.151 31.274 31.700 -0.458 0.000 0.772 424 S N -1.629 113.765 115.700 -0.510 0.000 2.603 424 S HA -0.050 4.419 4.470 -0.000 0.000 0.229 424 S C 1.669 176.163 174.600 -0.176 0.000 0.972 424 S CA 0.499 58.454 58.200 -0.408 0.000 0.935 424 S CB -1.618 61.121 63.200 -0.768 0.000 0.769 424 S HN 0.155 nan 8.310 nan 0.000 0.536 425 C N 1.587 120.773 119.300 -0.190 0.000 2.576 425 C HA 0.224 4.683 4.460 -0.000 0.000 0.267 425 C C 0.837 175.943 174.990 0.195 0.000 1.364 425 C CA -0.447 58.588 59.018 0.028 0.000 1.723 425 C CB -1.943 25.860 27.740 0.104 0.000 1.778 425 C HN 0.668 nan 8.230 nan 0.000 0.572 426 H N 0.691 119.785 119.070 0.040 0.000 2.820 426 H HA 0.470 5.026 4.556 -0.000 0.000 0.248 426 H C 0.799 176.183 175.328 0.094 0.000 1.714 426 H CA -0.194 55.900 56.048 0.076 0.000 1.334 426 H CB 0.082 29.863 29.762 0.033 0.000 1.693 426 H HN 0.518 nan 8.280 nan 0.000 0.548 427 G N 0.470 109.429 108.800 0.265 0.000 2.645 427 G HA2 0.153 4.113 3.960 -0.000 0.000 0.292 427 G HA3 0.153 4.113 3.960 -0.000 0.000 0.292 427 G C 0.301 175.381 174.900 0.299 0.000 1.415 427 G CA -0.762 44.470 45.100 0.219 0.000 0.785 427 G HN 0.481 nan 8.290 nan 0.000 0.483 428 I N -0.427 120.283 120.570 0.232 0.000 2.567 428 I HA 0.026 4.196 4.170 -0.000 0.000 0.257 428 I C 1.367 177.607 176.117 0.205 0.000 1.184 428 I CA 0.947 62.400 61.300 0.255 0.000 1.451 428 I CB 0.053 38.150 38.000 0.162 0.000 1.089 428 I HN 0.269 nan 8.210 nan 0.000 0.441 429 L N 0.351 121.656 121.223 0.136 0.000 2.628 429 L HA 0.278 4.617 4.340 -0.000 0.000 0.229 429 L C 1.453 178.351 176.870 0.046 0.000 1.137 429 L CA 0.233 55.138 54.840 0.109 0.000 0.909 429 L CB -0.718 41.430 42.059 0.147 0.000 1.137 429 L HN 0.458 nan 8.230 nan 0.000 0.470 430 G N 0.802 109.519 108.800 -0.138 0.000 2.634 430 G HA2 -0.380 3.580 3.960 -0.000 0.000 0.309 430 G HA3 -0.380 3.580 3.960 -0.000 0.000 0.309 430 G C 0.856 175.738 174.900 -0.030 0.000 1.265 430 G CA 0.460 45.419 45.100 -0.235 0.000 0.998 430 G HN -0.045 nan 8.290 nan 0.000 0.551 431 V N 0.009 119.858 119.914 -0.108 0.000 2.515 431 V HA -0.111 4.009 4.120 -0.000 0.000 0.250 431 V C 2.409 178.409 176.094 -0.157 0.000 1.058 431 V CA 2.787 65.001 62.300 -0.143 0.000 1.064 431 V CB -0.944 30.686 31.823 -0.321 0.000 0.675 431 V HN 0.566 nan 8.190 nan 0.000 0.461 432 Y N 1.414 121.743 120.300 0.049 0.000 2.274 432 Y HA -0.074 4.476 4.550 -0.000 0.000 0.290 432 Y C 2.580 178.527 175.900 0.077 0.000 1.145 432 Y CA 1.289 59.428 58.100 0.065 0.000 1.203 432 Y CB -0.887 37.604 38.460 0.052 0.000 0.984 432 Y HN 0.290 nan 8.280 nan 0.000 0.533 433 G N -0.362 108.561 108.800 0.206 0.000 2.422 433 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 433 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 433 G C 1.980 176.989 174.900 0.182 0.000 1.140 433 G CA 0.766 45.975 45.100 0.182 0.000 0.775 433 G HN 0.502 nan 8.290 nan 0.000 0.545 434 G N 0.717 109.594 108.800 0.129 0.000 2.422 434 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.218 434 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.218 434 G C 1.844 176.836 174.900 0.155 0.000 1.146 434 G CA 0.887 46.053 45.100 0.110 0.000 0.769 434 G HN 0.420 nan 8.290 nan 0.000 0.547 435 M N -0.218 119.461 119.600 0.131 0.000 2.200 435 M HA 0.122 4.602 4.480 -0.000 0.000 0.265 435 M C 2.523 178.907 176.300 0.140 0.000 1.066 435 M CA 0.959 56.327 55.300 0.113 0.000 1.127 435 M CB -0.227 32.433 32.600 0.100 0.000 1.379 435 M HN 0.193 nan 8.290 nan 0.000 0.420 436 I N -1.081 119.586 120.570 0.163 0.000 2.179 436 I HA -0.335 3.835 4.170 -0.000 0.000 0.242 436 I C 2.413 178.633 176.117 0.172 0.000 1.088 436 I CA 1.583 62.965 61.300 0.137 0.000 1.357 436 I CB -0.520 37.560 38.000 0.133 0.000 1.051 436 I HN 0.225 nan 8.210 nan 0.000 0.409 437 Y N 1.638 122.019 120.300 0.135 0.000 2.151 437 Y HA -0.338 4.212 4.550 -0.000 0.000 0.284 437 Y C 2.721 178.755 175.900 0.223 0.000 1.166 437 Y CA 2.278 60.507 58.100 0.214 0.000 1.163 437 Y CB -0.301 38.292 38.460 0.221 0.000 0.974 437 Y HN 0.085 nan 8.280 nan 0.000 0.511 438 T N -0.857 113.949 114.554 0.420 0.000 2.867 438 T HA -0.118 4.232 4.350 -0.000 0.000 0.268 438 T C 1.660 176.526 174.700 0.277 0.000 1.057 438 T CA 1.258 63.566 62.100 0.348 0.000 1.136 438 T CB -0.638 68.352 68.868 0.203 0.000 0.874 438 T HN 0.546 nan 8.240 nan 0.000 0.466 439 G N -0.474 108.426 108.800 0.166 0.000 3.088 439 G HA2 0.348 4.308 3.960 -0.000 0.000 0.212 439 G HA3 0.348 4.308 3.960 -0.000 0.000 0.212 439 G C 0.974 175.966 174.900 0.153 0.000 1.173 439 G CA -0.093 45.075 45.100 0.113 0.000 0.779 439 G HN 0.424 nan 8.290 nan 0.000 0.540 440 I N -1.652 118.977 120.570 0.098 0.000 4.274 440 I HA 0.267 4.437 4.170 -0.000 0.000 0.246 440 I C 1.433 177.582 176.117 0.053 0.000 1.052 440 I CA -0.270 61.005 61.300 -0.040 0.000 1.840 440 I CB 0.125 37.890 38.000 -0.392 0.000 1.576 440 I HN 0.019 nan 8.210 nan 0.000 0.451 441 F N -0.055 119.939 119.950 0.073 0.000 2.664 441 F HA -0.192 4.335 4.527 -0.000 0.000 0.297 441 F C 1.778 177.736 175.800 0.263 0.000 1.164 441 F CA 1.045 59.099 58.000 0.090 0.000 1.472 441 F CB 0.073 38.884 39.000 -0.314 0.000 1.108 441 F HN 0.265 nan 8.300 nan 0.000 0.596 442 Y N -2.262 118.194 120.300 0.261 0.000 2.723 442 Y HA 0.035 4.585 4.550 -0.000 0.000 0.272 442 Y C 1.637 177.634 175.900 0.161 0.000 1.142 442 Y CA -0.613 57.602 58.100 0.193 0.000 1.217 442 Y CB -0.793 37.777 38.460 0.183 0.000 1.391 442 Y HN 0.051 nan 8.280 nan 0.000 0.479 443 W N 1.459 122.685 121.300 -0.123 0.000 2.378 443 W HA -0.111 4.549 4.660 -0.000 0.000 0.313 443 W C 1.644 178.005 176.519 -0.263 0.000 1.197 443 W CA 2.741 59.941 57.345 -0.240 0.000 1.304 443 W CB -0.594 28.782 29.460 -0.139 0.000 1.148 443 W HN 0.064 nan 8.180 nan 0.000 0.494 444 I N -0.995 119.404 120.570 -0.285 0.000 2.333 444 I HA -0.175 3.995 4.170 -0.000 0.000 0.246 444 I C 1.586 177.271 176.117 -0.721 0.000 1.106 444 I CA 1.067 61.958 61.300 -0.682 0.000 1.411 444 I CB -0.479 37.136 38.000 -0.643 0.000 1.082 444 I HN -0.169 nan 8.210 nan 0.000 0.420 445 F N 0.498 120.365 119.950 -0.137 0.000 2.678 445 F HA 0.267 4.794 4.527 -0.000 0.000 0.305 445 F C 0.477 176.241 175.800 -0.061 0.000 1.090 445 F CA -0.373 57.580 58.000 -0.077 0.000 1.272 445 F CB 0.327 39.343 39.000 0.027 0.000 1.060 445 F HN -0.148 nan 8.300 nan 0.000 0.576 446 R N 0.337 120.830 120.500 -0.011 0.000 3.416 446 R HA -0.214 4.125 4.340 -0.000 0.000 0.263 446 R C 1.161 177.634 176.300 0.288 0.000 1.053 446 R CA 0.577 56.662 56.100 -0.025 0.000 0.705 446 R CB -2.803 27.456 30.300 -0.069 0.000 1.124 446 R HN 0.580 nan 8.270 nan 0.000 0.444 447 G N 0.879 109.940 108.800 0.435 0.000 2.361 447 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.294 447 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.294 447 G C 0.775 175.636 174.900 -0.066 0.000 1.004 447 G CA 0.972 46.183 45.100 0.185 0.000 0.870 447 G HN 0.693 nan 8.290 nan 0.000 0.510 448 M N -1.460 118.131 119.600 -0.016 0.000 2.493 448 M HA 0.485 4.965 4.480 -0.000 0.000 0.244 448 M C 0.259 176.413 176.300 -0.244 0.000 1.182 448 M CA -0.222 55.032 55.300 -0.076 0.000 0.981 448 M CB -0.054 32.562 32.600 0.026 0.000 1.551 448 M HN 0.168 nan 8.290 nan 0.000 0.476 449 E N 3.267 123.163 120.200 -0.506 0.000 2.437 449 E HA 0.047 4.397 4.350 -0.000 0.000 0.263 449 E C -1.858 174.239 176.600 -0.839 0.000 1.030 449 E CA -0.988 54.820 56.400 -0.988 0.000 0.934 449 E CB -0.050 28.506 29.700 -1.906 0.000 0.943 449 E HN 0.255 nan 8.360 nan 0.000 0.444 450 P HA 0.040 nan 4.420 nan 0.000 0.254 450 P C -1.451 175.810 177.300 -0.065 0.000 1.631 450 P CA 0.056 63.014 63.100 -0.237 0.000 0.861 450 P CB -0.593 31.068 31.700 -0.065 0.000 1.663 451 W N -1.235 120.003 121.300 -0.103 0.000 3.005 451 W HA 0.617 5.277 4.660 -0.000 0.000 0.343 451 W C -1.693 174.742 176.519 -0.139 0.000 1.243 451 W CA -1.031 56.255 57.345 -0.098 0.000 1.186 451 W CB 0.141 29.530 29.460 -0.120 0.000 1.453 451 W HN -0.092 nan 8.180 nan 0.000 0.575 452 T N 0.231 114.943 114.554 0.264 0.000 2.916 452 T HA 0.673 5.023 4.350 -0.000 0.000 0.298 452 T C -0.705 174.053 174.700 0.097 0.000 1.031 452 T CA -0.733 61.428 62.100 0.103 0.000 0.993 452 T CB 0.853 69.722 68.868 0.000 0.000 1.045 452 T HN 0.743 nan 8.240 nan 0.000 0.454 453 L N 2.151 123.378 121.223 0.006 0.000 2.482 453 L HA 0.600 4.940 4.340 -0.000 0.000 0.242 453 L C 0.805 177.553 176.870 -0.204 0.000 1.210 453 L CA -1.039 53.738 54.840 -0.105 0.000 0.819 453 L CB 0.440 42.395 42.059 -0.174 0.000 1.203 453 L HN 0.640 nan 8.230 nan 0.000 0.495 454 K N -0.950 119.319 120.400 -0.219 0.000 2.352 454 K HA 0.487 4.807 4.320 -0.000 0.000 0.240 454 K C -1.154 175.284 176.600 -0.271 0.000 1.017 454 K CA -1.030 55.097 56.287 -0.268 0.000 0.851 454 K CB 1.640 34.070 32.500 -0.116 0.000 1.261 454 K HN 0.389 nan 8.250 nan 0.000 0.451 455 H N 1.205 120.278 119.070 0.005 0.000 2.488 455 H HA 0.157 4.713 4.556 -0.000 0.000 0.347 455 H C 0.630 176.004 175.328 0.077 0.000 1.174 455 H CA -0.183 55.915 56.048 0.084 0.000 1.307 455 H CB 1.292 31.060 29.762 0.010 0.000 1.517 455 H HN 0.477 nan 8.280 nan 0.000 0.554 456 K N 1.076 121.594 120.400 0.196 0.000 2.228 456 K HA -0.100 4.220 4.320 -0.000 0.000 0.205 456 K C 0.981 177.574 176.600 -0.012 0.000 1.045 456 K CA 1.221 57.484 56.287 -0.040 0.000 0.931 456 K CB 0.190 32.534 32.500 -0.260 0.000 0.727 456 K HN 0.872 nan 8.250 nan 0.000 0.458 457 G N -0.063 108.751 108.800 0.024 0.000 2.225 457 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.203 457 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.203 457 G C -1.126 173.757 174.900 -0.028 0.000 1.335 457 G CA -0.337 44.763 45.100 0.000 0.000 1.183 457 G HN 0.067 nan 8.290 nan 0.000 0.488 458 S N 0.368 116.044 115.700 -0.041 0.000 2.565 458 S HA 0.437 4.907 4.470 -0.000 0.000 0.276 458 S C 1.089 175.643 174.600 -0.077 0.000 1.326 458 S CA 0.415 58.584 58.200 -0.052 0.000 1.045 458 S CB 0.864 64.040 63.200 -0.041 0.000 0.918 458 S HN 0.418 nan 8.310 nan 0.000 0.505 459 D N 2.414 122.767 120.400 -0.079 0.000 2.144 459 D HA -0.110 4.530 4.640 -0.000 0.000 0.199 459 D C 2.188 178.396 176.300 -0.153 0.000 0.984 459 D CA 1.601 55.535 54.000 -0.110 0.000 0.834 459 D CB -0.565 40.188 40.800 -0.078 0.000 0.955 459 D HN 0.646 nan 8.370 nan 0.000 0.465 460 S N 1.639 117.259 115.700 -0.134 0.000 2.359 460 S HA -0.230 4.240 4.470 -0.000 0.000 0.222 460 S C 1.089 175.601 174.600 -0.147 0.000 1.038 460 S CA 1.611 59.722 58.200 -0.148 0.000 1.051 460 S CB -0.702 62.437 63.200 -0.103 0.000 0.944 460 S HN 0.245 nan 8.310 nan 0.000 0.433 461 D N 0.199 120.538 120.400 -0.103 0.000 2.676 461 D HA 0.300 4.940 4.640 -0.000 0.000 0.239 461 D C 1.033 177.276 176.300 -0.094 0.000 1.213 461 D CA -0.098 53.853 54.000 -0.081 0.000 0.835 461 D CB 0.127 40.901 40.800 -0.042 0.000 1.009 461 D HN 0.342 nan 8.370 nan 0.000 0.479 462 Q N -0.237 119.478 119.800 -0.142 0.000 2.317 462 Q HA 0.331 4.671 4.340 -0.000 0.000 0.220 462 Q C 0.252 176.160 176.000 -0.153 0.000 0.873 462 Q CA -0.083 55.636 55.803 -0.140 0.000 0.936 462 Q CB 0.401 29.044 28.738 -0.160 0.000 1.105 462 Q HN 0.422 nan 8.270 nan 0.000 0.520 463 L N 1.243 122.336 121.223 -0.217 0.000 2.439 463 L HA 0.148 4.487 4.340 -0.000 0.000 0.269 463 L C 0.181 177.015 176.870 -0.060 0.000 1.179 463 L CA 0.220 54.919 54.840 -0.236 0.000 0.828 463 L CB 0.728 42.494 42.059 -0.488 0.000 1.106 463 L HN 0.013 nan 8.230 nan 0.000 0.467 464 K N 3.306 123.711 120.400 0.008 0.000 2.168 464 K HA 0.451 4.771 4.320 -0.000 0.000 0.239 464 K C -2.418 174.306 176.600 0.206 0.000 0.999 464 K CA -1.738 54.604 56.287 0.092 0.000 0.900 464 K CB 1.293 33.811 32.500 0.030 0.000 1.111 464 K HN 0.252 nan 8.250 nan 0.000 0.452 465 P HA 0.063 nan 4.420 nan 0.000 0.280 465 P C -0.385 176.890 177.300 -0.041 0.000 1.244 465 P CA 0.082 63.187 63.100 0.008 0.000 0.784 465 P CB 1.156 32.803 31.700 -0.089 0.000 0.913 466 A N 5.206 127.966 122.820 -0.100 0.000 1.986 466 A HA -0.248 4.072 4.320 -0.000 0.000 0.220 466 A C 1.683 179.229 177.584 -0.064 0.000 1.171 466 A CA 1.559 53.452 52.037 -0.239 0.000 0.640 466 A CB -0.963 17.885 19.000 -0.254 0.000 0.811 466 A HN 0.616 nan 8.150 nan 0.000 0.451 467 K N -0.861 119.519 120.400 -0.032 0.000 2.362 467 K HA -0.105 4.215 4.320 -0.000 0.000 0.200 467 K C 0.187 176.796 176.600 0.016 0.000 1.046 467 K CA 1.363 57.654 56.287 0.008 0.000 0.952 467 K CB -0.170 32.322 32.500 -0.014 0.000 0.753 467 K HN 0.359 nan 8.250 nan 0.000 0.466 468 D N 0.868 121.269 120.400 0.002 0.000 2.324 468 D HA 0.052 4.692 4.640 -0.000 0.000 0.212 468 D C 1.021 177.339 176.300 0.029 0.000 0.984 468 D CA 0.103 54.110 54.000 0.012 0.000 0.885 468 D CB -0.117 40.684 40.800 0.003 0.000 0.996 468 D HN 0.136 nan 8.370 nan 0.000 0.505 469 C N 0.349 119.664 119.300 0.025 0.000 2.574 469 C HA 0.610 5.070 4.460 -0.000 0.000 0.335 469 C C 0.664 175.749 174.990 0.158 0.000 1.493 469 C CA -0.397 58.657 59.018 0.060 0.000 2.217 469 C CB 0.950 28.685 27.740 -0.008 0.000 2.056 469 C HN 0.110 nan 8.230 nan 0.000 0.607 470 T N 1.606 116.286 114.554 0.209 0.000 2.879 470 T HA 0.395 4.745 4.350 -0.000 0.000 0.290 470 T C -2.696 172.163 174.700 0.265 0.000 0.993 470 T CA -0.374 61.848 62.100 0.203 0.000 0.975 470 T CB 1.499 70.421 68.868 0.091 0.000 0.981 470 T HN 0.417 nan 8.240 nan 0.000 0.439 471 P HA 0.204 nan 4.420 nan 0.000 0.267 471 P C -0.676 176.531 177.300 -0.156 0.000 1.201 471 P CA -0.197 62.714 63.100 -0.314 0.000 0.775 471 P CB 0.445 31.750 31.700 -0.658 0.000 0.854 472 I N 2.053 122.489 120.570 -0.223 0.000 2.330 472 I HA 0.128 4.298 4.170 -0.000 0.000 0.289 472 I C 0.685 176.521 176.117 -0.469 0.000 1.001 472 I CA -0.637 60.445 61.300 -0.363 0.000 1.193 472 I CB 1.135 38.809 38.000 -0.544 0.000 1.345 472 I HN 0.167 nan 8.210 nan 0.000 0.461 473 E N 6.985 126.996 120.200 -0.315 0.000 1.842 473 E HA 0.074 4.424 4.350 -0.000 0.000 0.278 473 E C -0.723 175.764 176.600 -0.187 0.000 1.171 473 E CA 0.001 56.278 56.400 -0.206 0.000 1.127 473 E CB -0.380 29.255 29.700 -0.110 0.000 1.100 473 E HN 0.397 nan 8.360 nan 0.000 0.456 474 Y N 2.621 122.894 120.300 -0.044 0.000 2.578 474 Y HA 0.023 4.573 4.550 -0.000 0.000 0.339 474 Y C -0.917 174.953 175.900 -0.051 0.000 1.231 474 Y CA -1.226 56.841 58.100 -0.054 0.000 1.461 474 Y CB 0.082 38.513 38.460 -0.048 0.000 1.323 474 Y HN 0.328 nan 8.280 nan 0.000 0.590 475 P HA 0.209 nan 4.420 nan 0.000 0.278 475 P C -1.580 175.723 177.300 0.005 0.000 1.266 475 P CA -0.840 62.272 63.100 0.020 0.000 0.807 475 P CB 1.114 32.788 31.700 -0.042 0.000 1.094 476 K N 1.525 121.919 120.400 -0.010 0.000 2.258 476 K HA 0.308 4.627 4.320 -0.000 0.000 0.284 476 K C -1.787 174.804 176.600 -0.016 0.000 1.051 476 K CA -1.570 54.717 56.287 0.000 0.000 0.923 476 K CB 0.028 32.533 32.500 0.009 0.000 1.046 476 K HN 0.440 nan 8.250 nan 0.000 0.474 477 P HA -0.093 nan 4.420 nan 0.000 0.266 477 P C -0.399 176.943 177.300 0.070 0.000 1.186 477 P CA 0.181 63.304 63.100 0.039 0.000 0.767 477 P CB 0.580 32.334 31.700 0.090 0.000 0.820 478 D N 0.065 120.549 120.400 0.140 0.000 2.363 478 D HA 0.106 4.746 4.640 -0.000 0.000 0.214 478 D C 1.407 177.766 176.300 0.098 0.000 1.093 478 D CA 0.211 54.288 54.000 0.128 0.000 0.837 478 D CB -0.463 40.447 40.800 0.183 0.000 0.948 478 D HN 0.615 nan 8.370 nan 0.000 0.507 479 G N 0.584 109.438 108.800 0.089 0.000 2.270 479 G HA2 -0.439 3.521 3.960 -0.000 0.000 0.268 479 G HA3 -0.439 3.521 3.960 -0.000 0.000 0.268 479 G C 1.138 175.934 174.900 -0.174 0.000 0.982 479 G CA 0.935 45.921 45.100 -0.189 0.000 0.628 479 G HN 0.486 nan 8.290 nan 0.000 0.544 480 Q N -0.943 118.974 119.800 0.196 0.000 2.387 480 Q HA 0.426 4.766 4.340 -0.000 0.000 0.212 480 Q C 2.505 178.859 176.000 0.590 0.000 0.925 480 Q CA 1.047 57.025 55.803 0.291 0.000 0.901 480 Q CB 0.437 29.270 28.738 0.158 0.000 1.020 480 Q HN 0.632 nan 8.270 nan 0.000 0.545 481 I N -0.243 120.636 120.570 0.516 0.000 3.673 481 I HA 0.029 4.199 4.170 -0.000 0.000 0.281 481 I C 0.350 176.608 176.117 0.235 0.000 1.182 481 I CA 0.049 61.570 61.300 0.368 0.000 1.391 481 I CB 0.935 38.955 38.000 0.034 0.000 1.383 481 I HN -0.087 nan 8.210 nan 0.000 0.456 482 S N 1.323 117.219 115.700 0.326 0.000 2.449 482 S HA 0.637 5.107 4.470 -0.000 0.000 0.310 482 S C -0.621 174.246 174.600 0.445 0.000 1.096 482 S CA -0.642 57.641 58.200 0.138 0.000 1.095 482 S CB 1.340 64.563 63.200 0.039 0.000 1.007 482 S HN -0.052 nan 8.310 nan 0.000 0.474 483 F N 1.817 121.735 119.950 -0.054 0.000 2.590 483 F HA 0.671 5.198 4.527 -0.000 0.000 0.379 483 F C 0.654 176.476 175.800 0.037 0.000 1.154 483 F CA -1.465 56.525 58.000 -0.016 0.000 1.136 483 F CB -0.020 38.962 39.000 -0.030 0.000 1.601 483 F HN 0.685 nan 8.300 nan 0.000 0.504 484 D N -1.366 119.214 120.400 0.300 0.000 2.553 484 D HA 0.378 5.018 4.640 -0.000 0.000 0.249 484 D C 0.698 177.079 176.300 0.134 0.000 1.062 484 D CA -0.521 53.620 54.000 0.234 0.000 1.085 484 D CB 0.458 41.319 40.800 0.102 0.000 1.350 484 D HN 0.225 nan 8.370 nan 0.000 0.575 485 L N -0.423 120.754 121.223 -0.077 0.000 2.012 485 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 485 L C 2.488 179.234 176.870 -0.206 0.000 1.073 485 L CA 1.263 55.873 54.840 -0.384 0.000 0.748 485 L CB -0.545 41.326 42.059 -0.313 0.000 0.891 485 L HN 0.456 nan 8.230 nan 0.000 0.431 486 L N -1.304 119.866 121.223 -0.088 0.000 2.005 486 L HA -0.218 4.122 4.340 -0.000 0.000 0.207 486 L C 2.846 179.700 176.870 -0.026 0.000 1.072 486 L CA 1.546 56.359 54.840 -0.045 0.000 0.744 486 L CB -0.284 41.760 42.059 -0.024 0.000 0.895 486 L HN 0.357 nan 8.230 nan 0.000 0.433 487 S N -0.937 114.756 115.700 -0.012 0.000 2.368 487 S HA -0.255 4.215 4.470 -0.000 0.000 0.226 487 S C 2.099 176.721 174.600 0.037 0.000 1.044 487 S CA 2.113 60.321 58.200 0.014 0.000 1.062 487 S CB -0.413 62.805 63.200 0.029 0.000 0.931 487 S HN 0.602 nan 8.310 nan 0.000 0.440 488 S N 0.893 116.575 115.700 -0.030 0.000 2.354 488 S HA -0.091 4.379 4.470 -0.000 0.000 0.219 488 S C 1.986 176.585 174.600 -0.002 0.000 1.035 488 S CA 1.523 59.595 58.200 -0.213 0.000 1.037 488 S CB -0.928 61.812 63.200 -0.768 0.000 0.956 488 S HN 0.449 nan 8.310 nan 0.000 0.428 489 V N 2.644 122.568 119.914 0.016 0.000 2.278 489 V HA -0.314 3.806 4.120 -0.000 0.000 0.251 489 V C 2.703 178.878 176.094 0.135 0.000 1.062 489 V CA 1.809 64.207 62.300 0.164 0.000 1.038 489 V CB -1.503 30.367 31.823 0.078 0.000 0.646 489 V HN 0.574 nan 8.190 nan 0.000 0.447 490 A N -0.312 122.553 122.820 0.075 0.000 1.971 490 A HA -0.256 4.064 4.320 -0.000 0.000 0.222 490 A C 2.061 179.694 177.584 0.082 0.000 1.182 490 A CA 2.289 54.361 52.037 0.059 0.000 0.649 490 A CB -0.658 18.363 19.000 0.036 0.000 0.818 490 A HN 0.570 nan 8.150 nan 0.000 0.458 491 L N 0.451 121.754 121.223 0.134 0.000 2.627 491 L HA -0.008 4.331 4.340 -0.000 0.000 0.233 491 L C 2.272 179.255 176.870 0.189 0.000 1.144 491 L CA 0.729 55.662 54.840 0.155 0.000 0.892 491 L CB -0.014 42.156 42.059 0.184 0.000 1.039 491 L HN 0.564 nan 8.230 nan 0.000 0.442 492 S N -1.585 114.219 115.700 0.173 0.000 2.486 492 S HA 0.145 4.614 4.470 -0.000 0.000 0.220 492 S C 1.710 176.277 174.600 -0.054 0.000 1.011 492 S CA 0.423 58.687 58.200 0.108 0.000 0.921 492 S CB 0.371 63.628 63.200 0.096 0.000 0.785 492 S HN 0.427 nan 8.310 nan 0.000 0.517 493 G N 0.897 109.680 108.800 -0.028 0.000 2.162 493 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.260 493 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.260 493 G C 0.188 175.007 174.900 -0.135 0.000 0.976 493 G CA 0.463 45.524 45.100 -0.066 0.000 0.655 493 G HN 0.801 nan 8.290 nan 0.000 0.533 494 T N 1.650 116.104 114.554 -0.167 0.000 2.779 494 T HA 0.501 4.851 4.350 -0.000 0.000 0.296 494 T C 0.171 174.722 174.700 -0.247 0.000 0.938 494 T CA 0.435 62.376 62.100 -0.265 0.000 1.119 494 T CB -0.192 68.528 68.868 -0.246 0.000 0.891 494 T HN 0.879 nan 8.240 nan 0.000 0.526 495 N N 3.526 121.996 118.700 -0.383 0.000 2.516 495 N HA 0.263 5.003 4.740 -0.000 0.000 0.268 495 N C -1.602 173.652 175.510 -0.427 0.000 1.096 495 N CA -0.859 52.011 53.050 -0.300 0.000 0.954 495 N CB 1.381 39.776 38.487 -0.153 0.000 1.676 495 N HN 0.539 nan 8.380 nan 0.000 0.490 496 H N -0.529 118.451 119.070 -0.150 0.000 2.869 496 H HA 0.369 4.925 4.556 -0.000 0.000 0.342 496 H C -1.002 174.145 175.328 -0.301 0.000 1.250 496 H CA -0.732 55.224 56.048 -0.153 0.000 1.217 496 H CB 1.255 30.956 29.762 -0.102 0.000 1.917 496 H HN 0.600 nan 8.280 nan 0.000 0.586 497 E N 0.720 120.886 120.200 -0.057 0.000 2.316 497 E HA 0.030 4.380 4.350 -0.000 0.000 0.275 497 E C 0.281 176.810 176.600 -0.117 0.000 1.029 497 E CA 0.154 56.472 56.400 -0.138 0.000 0.871 497 E CB 0.239 29.907 29.700 -0.053 0.000 1.022 497 E HN 0.542 nan 8.360 nan 0.000 0.418 498 H N 2.419 121.508 119.070 0.031 0.000 2.395 498 H HA -0.061 4.495 4.556 -0.000 0.000 0.299 498 H C 0.162 175.494 175.328 0.007 0.000 1.070 498 H CA 1.032 57.092 56.048 0.020 0.000 1.356 498 H CB 0.155 29.928 29.762 0.019 0.000 1.401 498 H HN 0.491 nan 8.280 nan 0.000 0.524 499 D N 1.593 122.061 120.400 0.113 0.000 2.545 499 D HA 0.048 4.688 4.640 -0.000 0.000 0.227 499 D C -0.038 176.289 176.300 0.046 0.000 1.150 499 D CA 0.242 54.283 54.000 0.069 0.000 1.046 499 D CB -0.253 40.578 40.800 0.052 0.000 1.098 499 D HN 0.427 nan 8.370 nan 0.000 0.502 500 Q N 2.233 122.059 119.800 0.042 0.000 2.527 500 Q HA 0.396 4.735 4.340 -0.000 0.000 0.280 500 Q C -2.992 173.030 176.000 0.037 0.000 0.977 500 Q CA -1.789 54.032 55.803 0.030 0.000 0.837 500 Q CB 1.910 30.641 28.738 -0.012 0.000 1.454 500 Q HN -0.035 nan 8.270 nan 0.000 0.387 501 P HA 0.107 nan 4.420 nan 0.000 0.266 501 P C -1.050 176.336 177.300 0.143 0.000 1.215 501 P CA 0.283 63.446 63.100 0.105 0.000 0.763 501 P CB 0.710 32.417 31.700 0.012 0.000 0.806 502 A N 3.208 126.088 122.820 0.099 0.000 2.546 502 A HA -0.046 4.274 4.320 -0.000 0.000 0.243 502 A C 1.077 178.669 177.584 0.012 0.000 1.063 502 A CA 0.142 52.202 52.037 0.039 0.000 0.757 502 A CB -0.646 18.380 19.000 0.044 0.000 0.991 502 A HN 0.824 nan 8.150 nan 0.000 0.503 503 H N 0.973 119.859 119.070 -0.307 0.000 2.547 503 H HA 0.294 4.850 4.556 -0.000 0.000 0.266 503 H C -0.379 174.609 175.328 -0.568 0.000 0.988 503 H CA -0.472 55.209 56.048 -0.612 0.000 1.147 503 H CB -0.008 29.264 29.762 -0.817 0.000 1.365 503 H HN 0.344 nan 8.280 nan 0.000 0.589 504 L N 3.264 124.396 121.223 -0.152 0.000 2.657 504 L HA 0.103 4.443 4.340 -0.000 0.000 0.239 504 L C 0.543 177.392 176.870 -0.034 0.000 1.215 504 L CA -0.195 54.587 54.840 -0.096 0.000 1.161 504 L CB 0.437 42.509 42.059 0.022 0.000 1.436 504 L HN 0.296 nan 8.230 nan 0.000 0.414 505 T N 0.275 114.753 114.554 -0.127 0.000 2.888 505 T HA 0.383 4.733 4.350 -0.000 0.000 0.301 505 T C 0.048 174.732 174.700 -0.027 0.000 1.001 505 T CA -0.235 61.809 62.100 -0.093 0.000 1.147 505 T CB 0.327 69.077 68.868 -0.195 0.000 0.931 505 T HN 0.083 nan 8.240 nan 0.000 0.541 506 L N 4.430 125.653 121.223 0.001 0.000 2.334 506 L HA 0.537 4.877 4.340 -0.000 0.000 0.272 506 L C 1.316 178.171 176.870 -0.024 0.000 1.020 506 L CA -0.227 54.626 54.840 0.021 0.000 0.812 506 L CB 1.768 43.867 42.059 0.068 0.000 1.264 506 L HN 0.776 nan 8.230 nan 0.000 0.439 507 K N -0.136 120.253 120.400 -0.019 0.000 2.323 507 K HA 0.155 4.475 4.320 -0.000 0.000 0.197 507 K C -0.289 176.297 176.600 -0.024 0.000 1.043 507 K CA 0.448 56.708 56.287 -0.046 0.000 0.997 507 K CB 0.495 32.974 32.500 -0.035 0.000 0.807 507 K HN 0.495 nan 8.250 nan 0.000 0.497 508 D N 0.468 120.877 120.400 0.015 0.000 2.736 508 D HA 0.068 4.708 4.640 -0.000 0.000 0.243 508 D C -1.027 175.313 176.300 0.066 0.000 1.304 508 D CA -0.167 53.856 54.000 0.038 0.000 0.934 508 D CB 1.680 42.504 40.800 0.040 0.000 1.382 508 D HN -0.116 nan 8.370 nan 0.000 0.571 509 D N 0.761 121.210 120.400 0.082 0.000 2.349 509 D HA -0.058 4.582 4.640 -0.000 0.000 0.224 509 D C 1.832 178.197 176.300 0.108 0.000 1.029 509 D CA 0.520 54.581 54.000 0.102 0.000 0.879 509 D CB 0.433 41.301 40.800 0.114 0.000 0.906 509 D HN 0.304 nan 8.370 nan 0.000 0.528 510 S N -0.703 115.055 115.700 0.097 0.000 2.456 510 S HA -0.062 4.408 4.470 -0.000 0.000 0.224 510 S C 2.056 176.720 174.600 0.107 0.000 1.035 510 S CA 0.415 58.673 58.200 0.098 0.000 0.940 510 S CB -0.472 62.774 63.200 0.077 0.000 0.799 510 S HN 0.150 nan 8.310 nan 0.000 0.508 511 V N 2.734 122.708 119.914 0.100 0.000 2.255 511 V HA -0.017 4.103 4.120 -0.000 0.000 0.247 511 V C -0.684 175.494 176.094 0.140 0.000 1.051 511 V CA 2.074 64.435 62.300 0.102 0.000 1.018 511 V CB -1.935 29.942 31.823 0.089 0.000 0.641 511 V HN 0.287 nan 8.190 nan 0.000 0.445 512 P HA -0.213 nan 4.420 nan 0.000 0.219 512 P C 1.997 179.484 177.300 0.312 0.000 1.158 512 P CA 2.798 66.063 63.100 0.274 0.000 0.895 512 P CB -0.181 31.692 31.700 0.289 0.000 0.792 513 V N -2.113 117.966 119.914 0.275 0.000 3.263 513 V HA 0.102 4.222 4.120 -0.000 0.000 0.248 513 V C 1.886 178.049 176.094 0.116 0.000 1.145 513 V CA 1.307 63.744 62.300 0.228 0.000 1.107 513 V CB -0.751 31.250 31.823 0.296 0.000 0.797 513 V HN -0.045 nan 8.190 nan 0.000 0.467 514 N N 0.307 119.070 118.700 0.106 0.000 2.270 514 N HA -0.050 4.690 4.740 -0.000 0.000 0.181 514 N C 1.880 177.409 175.510 0.032 0.000 1.016 514 N CA 1.640 54.728 53.050 0.065 0.000 0.870 514 N CB -0.027 38.498 38.487 0.064 0.000 0.979 514 N HN 0.548 nan 8.380 nan 0.000 0.431 515 R N -0.699 119.825 120.500 0.040 0.000 2.411 515 R HA 0.241 4.581 4.340 -0.000 0.000 0.176 515 R C 1.523 177.824 176.300 0.001 0.000 1.072 515 R CA 0.123 56.226 56.100 0.005 0.000 1.132 515 R CB -0.242 30.079 30.300 0.036 0.000 1.203 515 R HN 0.108 nan 8.270 nan 0.000 0.537 516 N N 1.222 119.982 118.700 0.101 0.000 2.023 516 N HA -0.256 4.483 4.740 -0.000 0.000 0.200 516 N C 1.751 177.272 175.510 0.018 0.000 1.048 516 N CA 1.830 54.984 53.050 0.173 0.000 0.872 516 N CB -0.242 38.353 38.487 0.180 0.000 1.070 516 N HN 0.059 nan 8.380 nan 0.000 0.441 517 L N 1.018 122.153 121.223 -0.147 0.000 2.131 517 L HA -0.118 4.221 4.340 -0.000 0.000 0.210 517 L C 2.382 179.128 176.870 -0.205 0.000 1.092 517 L CA 1.558 56.180 54.840 -0.363 0.000 0.759 517 L CB -0.910 40.752 42.059 -0.662 0.000 0.903 517 L HN 0.101 nan 8.230 nan 0.000 0.435 518 S N -0.672 114.953 115.700 -0.125 0.000 2.348 518 S HA -0.125 4.345 4.470 -0.000 0.000 0.221 518 S C 1.947 176.459 174.600 -0.146 0.000 1.033 518 S CA 1.866 60.005 58.200 -0.101 0.000 1.010 518 S CB -0.318 62.842 63.200 -0.067 0.000 0.891 518 S HN 0.515 nan 8.310 nan 0.000 0.442 519 I N -1.040 119.382 120.570 -0.246 0.000 2.731 519 I HA 0.069 4.239 4.170 -0.000 0.000 0.260 519 I C 1.067 176.933 176.117 -0.418 0.000 1.138 519 I CA 0.646 61.705 61.300 -0.401 0.000 1.461 519 I CB -0.039 37.560 38.000 -0.667 0.000 1.128 519 I HN 0.325 nan 8.210 nan 0.000 0.438 520 Y N -0.061 120.173 120.300 -0.109 0.000 2.485 520 Y HA 0.094 4.644 4.550 -0.000 0.000 0.260 520 Y C 0.633 176.428 175.900 -0.174 0.000 1.173 520 Y CA -0.380 57.632 58.100 -0.147 0.000 1.252 520 Y CB 0.208 38.600 38.460 -0.113 0.000 1.123 520 Y HN 0.098 nan 8.280 nan 0.000 0.524 521 D N 1.112 121.483 120.400 -0.049 0.000 2.955 521 D HA -0.176 4.463 4.640 -0.000 0.000 0.226 521 D C 0.671 176.873 176.300 -0.163 0.000 1.178 521 D CA 1.599 55.557 54.000 -0.069 0.000 0.808 521 D CB -1.174 39.700 40.800 0.122 0.000 1.099 521 D HN 0.701 nan 8.370 nan 0.000 0.421 522 G N -0.323 108.343 108.800 -0.223 0.000 2.689 522 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.273 522 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.273 522 G C -0.977 173.821 174.900 -0.171 0.000 1.062 522 G CA -0.043 44.856 45.100 -0.334 0.000 1.279 522 G HN 0.363 nan 8.290 nan 0.000 0.547 523 P HA -0.127 nan 4.420 nan 0.000 0.217 523 P C 1.799 178.419 177.300 -1.134 0.000 1.150 523 P CA 1.582 64.374 63.100 -0.514 0.000 0.832 523 P CB 0.085 31.572 31.700 -0.355 0.000 0.787 524 E N 1.242 121.025 120.200 -0.695 0.000 2.339 524 E HA -0.237 4.113 4.350 -0.000 0.000 0.201 524 E C 1.444 177.948 176.600 -0.159 0.000 1.015 524 E CA 1.076 57.197 56.400 -0.466 0.000 0.841 524 E CB -0.936 28.640 29.700 -0.208 0.000 0.754 524 E HN 0.569 nan 8.360 nan 0.000 0.508 525 Q N 0.138 119.910 119.800 -0.047 0.000 2.320 525 Q HA 0.219 4.559 4.340 -0.000 0.000 0.201 525 Q C 1.606 177.620 176.000 0.022 0.000 0.910 525 Q CA -0.060 55.803 55.803 0.101 0.000 0.946 525 Q CB 0.385 29.249 28.738 0.210 0.000 1.062 525 Q HN 0.142 nan 8.270 nan 0.000 0.503 526 R N 0.126 120.548 120.500 -0.129 0.000 2.191 526 R HA 0.124 4.464 4.340 -0.000 0.000 0.187 526 R C 1.360 177.719 176.300 0.098 0.000 1.078 526 R CA 0.574 56.664 56.100 -0.017 0.000 1.139 526 R CB -0.207 30.084 30.300 -0.016 0.000 1.120 526 R HN 0.317 nan 8.270 nan 0.000 0.536 527 F N 0.870 120.925 119.950 0.174 0.000 2.771 527 F HA 0.177 4.704 4.527 -0.000 0.000 0.299 527 F C 0.802 176.695 175.800 0.155 0.000 1.177 527 F CA -1.506 56.600 58.000 0.177 0.000 1.450 527 F CB -1.218 37.900 39.000 0.196 0.000 1.114 527 F HN -0.120 nan 8.300 nan 0.000 0.587 528 C N 5.885 125.483 119.300 0.496 0.000 2.281 528 C HA 0.372 4.832 4.460 -0.000 0.000 0.336 528 C C -0.494 174.650 174.990 0.256 0.000 1.217 528 C CA -1.803 57.462 59.018 0.411 0.000 1.730 528 C CB -0.132 27.885 27.740 0.462 0.000 2.338 528 C HN 0.296 nan 8.230 nan 0.000 0.521 529 P HA 0.065 nan 4.420 nan 0.000 0.242 529 P C 0.341 177.727 177.300 0.144 0.000 1.197 529 P CA 0.816 64.047 63.100 0.218 0.000 0.765 529 P CB 0.169 32.039 31.700 0.283 0.000 0.936 530 A N -0.913 121.983 122.820 0.128 0.000 2.594 530 A HA 0.586 4.906 4.320 -0.000 0.000 0.292 530 A C 1.450 179.065 177.584 0.052 0.000 1.026 530 A CA 0.329 52.425 52.037 0.098 0.000 0.983 530 A CB -0.325 18.767 19.000 0.154 0.000 1.233 530 A HN 0.192 nan 8.150 nan 0.000 0.519 531 G N -0.779 108.036 108.800 0.026 0.000 2.412 531 G HA2 -0.373 3.587 3.960 -0.000 0.000 0.252 531 G HA3 -0.373 3.587 3.960 -0.000 0.000 0.252 531 G C 1.420 176.350 174.900 0.051 0.000 1.038 531 G CA 0.996 46.111 45.100 0.024 0.000 0.628 531 G HN 0.966 nan 8.290 nan 0.000 0.531 532 V N -0.223 119.716 119.914 0.043 0.000 2.277 532 V HA -0.281 3.838 4.120 -0.000 0.000 0.261 532 V C 1.582 177.533 176.094 -0.239 0.000 1.091 532 V CA 2.540 64.779 62.300 -0.101 0.000 1.090 532 V CB -0.687 31.032 31.823 -0.174 0.000 0.704 532 V HN 0.575 nan 8.190 nan 0.000 0.455 533 Y N -0.095 120.224 120.300 0.031 0.000 2.341 533 Y HA 0.586 5.136 4.550 -0.000 0.000 0.340 533 Y C 0.208 176.058 175.900 -0.084 0.000 0.997 533 Y CA -0.495 57.572 58.100 -0.056 0.000 1.149 533 Y CB 0.835 39.289 38.460 -0.010 0.000 1.171 533 Y HN 0.258 nan 8.280 nan 0.000 0.494 534 E N 2.827 122.979 120.200 -0.080 0.000 2.266 534 E HA 0.509 4.859 4.350 -0.000 0.000 0.268 534 E C -1.899 174.592 176.600 -0.182 0.000 0.879 534 E CA -0.796 55.582 56.400 -0.037 0.000 0.762 534 E CB 1.082 30.775 29.700 -0.012 0.000 1.199 534 E HN 0.492 nan 8.360 nan 0.000 0.422 535 F N 3.638 123.628 119.950 0.066 0.000 2.325 535 F HA 0.263 4.790 4.527 -0.000 0.000 0.369 535 F C -0.336 175.553 175.800 0.148 0.000 1.095 535 F CA -0.745 57.297 58.000 0.070 0.000 1.082 535 F CB 1.314 40.285 39.000 -0.048 0.000 1.289 535 F HN 0.196 nan 8.300 nan 0.000 0.462 536 V N 6.355 126.459 119.914 0.317 0.000 2.521 536 V HA 0.025 4.145 4.120 -0.000 0.000 0.286 536 V C -1.120 175.239 176.094 0.443 0.000 1.034 536 V CA -1.107 61.378 62.300 0.309 0.000 1.045 536 V CB 0.776 32.694 31.823 0.157 0.000 0.974 536 V HN 0.538 nan 8.190 nan 0.000 0.480 537 P HA -0.164 nan 4.420 nan 0.000 0.225 537 P C 0.495 177.681 177.300 -0.190 0.000 1.141 537 P CA 0.515 63.646 63.100 0.053 0.000 0.774 537 P CB 0.086 31.850 31.700 0.108 0.000 0.760 538 L N -0.426 120.763 121.223 -0.057 0.000 2.931 538 L HA -0.204 4.136 4.340 -0.000 0.000 0.514 538 L C 1.404 178.231 176.870 -0.071 0.000 1.002 538 L CA 0.317 55.116 54.840 -0.068 0.000 1.270 538 L CB -0.273 41.719 42.059 -0.113 0.000 1.204 538 L HN 0.130 nan 8.230 nan 0.000 0.600 539 E N 1.936 122.117 120.200 -0.031 0.000 2.352 539 E HA -0.240 4.110 4.350 -0.000 0.000 0.203 539 E C 1.245 177.826 176.600 -0.032 0.000 1.024 539 E CA 2.205 58.591 56.400 -0.024 0.000 0.842 539 E CB -0.056 29.638 29.700 -0.010 0.000 0.753 539 E HN 0.768 nan 8.360 nan 0.000 0.508 540 Q N -1.337 118.437 119.800 -0.044 0.000 2.589 540 Q HA 0.199 4.539 4.340 -0.000 0.000 0.216 540 Q C 1.750 177.717 176.000 -0.056 0.000 0.774 540 Q CA 0.625 56.404 55.803 -0.040 0.000 0.909 540 Q CB 0.260 28.982 28.738 -0.027 0.000 1.283 540 Q HN 0.368 nan 8.270 nan 0.000 0.597 541 G N 0.971 109.728 108.800 -0.071 0.000 3.379 541 G HA2 0.073 4.032 3.960 -0.000 0.000 0.253 541 G HA3 0.073 4.032 3.960 -0.000 0.000 0.253 541 G C -0.519 174.298 174.900 -0.139 0.000 1.262 541 G CA 0.012 45.062 45.100 -0.082 0.000 0.959 541 G HN 0.392 nan 8.290 nan 0.000 0.524 542 D N -1.034 119.264 120.400 -0.171 0.000 2.733 542 D HA -0.132 4.508 4.640 -0.000 0.000 0.232 542 D C 0.991 176.983 176.300 -0.512 0.000 1.161 542 D CA 1.387 55.230 54.000 -0.261 0.000 0.653 542 D CB -0.776 39.937 40.800 -0.145 0.000 1.052 542 D HN 0.482 nan 8.370 nan 0.000 0.424 543 G N 0.557 109.051 108.800 -0.510 0.000 3.712 543 G HA2 0.447 4.407 3.960 -0.000 0.000 0.327 543 G HA3 0.447 4.407 3.960 -0.000 0.000 0.327 543 G C -0.026 174.653 174.900 -0.368 0.000 1.566 543 G CA -0.916 43.843 45.100 -0.568 0.000 0.953 543 G HN 0.178 nan 8.290 nan 0.000 0.488 544 F N 0.267 120.268 119.950 0.086 0.000 1.963 544 F HA -0.153 4.374 4.527 -0.000 0.000 0.229 544 F C 1.349 177.245 175.800 0.161 0.000 0.616 544 F CA 0.660 58.741 58.000 0.136 0.000 0.832 544 F CB 0.256 39.369 39.000 0.189 0.000 0.796 544 F HN 0.637 nan 8.300 nan 0.000 0.633 545 R N 1.218 121.948 120.500 0.382 0.000 2.836 545 R HA 0.855 5.195 4.340 -0.000 0.000 0.269 545 R C -1.993 174.434 176.300 0.211 0.000 1.010 545 R CA -1.351 54.904 56.100 0.259 0.000 0.930 545 R CB 1.777 32.164 30.300 0.145 0.000 1.218 545 R HN 0.686 nan 8.270 nan 0.000 0.473 546 L N 1.642 122.918 121.223 0.088 0.000 2.262 546 L HA 0.326 4.666 4.340 -0.000 0.000 0.288 546 L C -0.718 176.078 176.870 -0.123 0.000 1.035 546 L CA -0.240 54.494 54.840 -0.178 0.000 0.820 546 L CB 1.328 43.333 42.059 -0.090 0.000 1.204 546 L HN 0.709 nan 8.230 nan 0.000 0.424 547 Q N 5.571 125.264 119.800 -0.179 0.000 2.314 547 Q HA 0.467 4.807 4.340 -0.000 0.000 0.259 547 Q C -1.248 174.662 176.000 -0.149 0.000 0.951 547 Q CA -0.565 55.173 55.803 -0.108 0.000 0.909 547 Q CB 1.252 29.950 28.738 -0.067 0.000 1.236 547 Q HN 0.704 nan 8.270 nan 0.000 0.444 548 I N 4.131 124.621 120.570 -0.132 0.000 2.304 548 I HA 0.207 4.377 4.170 -0.000 0.000 0.291 548 I C -0.511 175.518 176.117 -0.147 0.000 1.018 548 I CA -0.526 60.641 61.300 -0.221 0.000 1.260 548 I CB 1.084 38.977 38.000 -0.179 0.000 1.390 548 I HN 0.636 nan 8.210 nan 0.000 0.475 549 N N 5.657 124.262 118.700 -0.158 0.000 2.949 549 N HA 0.306 5.046 4.740 -0.000 0.000 0.243 549 N C 0.727 176.223 175.510 -0.022 0.000 1.113 549 N CA -0.242 52.769 53.050 -0.065 0.000 0.980 549 N CB 1.158 39.616 38.487 -0.049 0.000 1.256 549 N HN 0.736 nan 8.380 nan 0.000 0.508 550 A N 1.324 124.149 122.820 0.008 0.000 2.250 550 A HA -0.104 4.216 4.320 -0.000 0.000 0.208 550 A C 1.533 179.227 177.584 0.184 0.000 1.254 550 A CA 0.408 52.504 52.037 0.098 0.000 0.858 550 A CB -0.146 18.900 19.000 0.076 0.000 0.820 550 A HN 0.624 nan 8.150 nan 0.000 0.484 551 Q N -0.890 119.054 119.800 0.240 0.000 2.349 551 Q HA 0.029 4.369 4.340 -0.000 0.000 0.209 551 Q C 1.288 177.513 176.000 0.375 0.000 0.920 551 Q CA 1.221 57.279 55.803 0.425 0.000 0.901 551 Q CB -0.295 28.716 28.738 0.455 0.000 1.021 551 Q HN 0.748 nan 8.270 nan 0.000 0.519 552 N N 0.451 119.293 118.700 0.236 0.000 2.457 552 N HA 0.007 4.747 4.740 -0.000 0.000 0.180 552 N C 0.126 175.765 175.510 0.215 0.000 1.050 552 N CA 0.083 53.234 53.050 0.170 0.000 0.906 552 N CB 0.101 38.650 38.487 0.104 0.000 0.968 552 N HN 0.177 nan 8.380 nan 0.000 0.445 553 C N 1.868 121.360 119.300 0.321 0.000 2.437 553 C HA 0.004 4.464 4.460 -0.000 0.000 0.399 553 C C 1.800 176.990 174.990 0.334 0.000 1.478 553 C CA -0.336 58.910 59.018 0.380 0.000 1.538 553 C CB -0.612 27.440 27.740 0.520 0.000 2.506 553 C HN 0.384 nan 8.230 nan 0.000 0.603 554 V N 4.075 124.109 119.914 0.199 0.000 3.271 554 V HA 0.367 4.487 4.120 -0.000 0.000 0.327 554 V C 0.724 176.809 176.094 -0.015 0.000 1.389 554 V CA 0.502 62.796 62.300 -0.010 0.000 1.156 554 V CB -1.277 30.560 31.823 0.022 0.000 1.103 554 V HN 1.053 nan 8.190 nan 0.000 0.453 555 H N -0.734 118.391 119.070 0.093 0.000 2.839 555 H HA -0.189 4.367 4.556 -0.000 0.000 0.298 555 H C 1.495 176.627 175.328 -0.328 0.000 1.224 555 H CA 0.781 56.768 56.048 -0.101 0.000 1.144 555 H CB -2.118 27.613 29.762 -0.053 0.000 1.372 555 H HN 0.940 nan 8.280 nan 0.000 0.408 556 C N -1.328 117.910 119.300 -0.103 0.000 2.514 556 C HA 0.153 4.613 4.460 -0.000 0.000 0.271 556 C C 1.530 176.373 174.990 -0.245 0.000 1.399 556 C CA 0.213 59.150 59.018 -0.134 0.000 1.765 556 C CB 0.224 27.943 27.740 -0.035 0.000 1.893 556 C HN 0.612 nan 8.230 nan 0.000 0.531 557 K N -0.170 119.996 120.400 -0.390 0.000 3.446 557 K HA -0.173 4.147 4.320 -0.000 0.000 0.312 557 K C 0.738 177.219 176.600 -0.199 0.000 1.329 557 K CA 1.339 57.393 56.287 -0.389 0.000 0.935 557 K CB -2.897 29.374 32.500 -0.381 0.000 1.281 557 K HN 0.660 nan 8.250 nan 0.000 0.457 558 T N 0.447 114.904 114.554 -0.162 0.000 2.777 558 T HA -0.152 4.198 4.350 -0.000 0.000 0.266 558 T C 2.150 176.667 174.700 -0.305 0.000 1.040 558 T CA 1.720 63.703 62.100 -0.195 0.000 1.141 558 T CB -0.506 68.305 68.868 -0.095 0.000 0.868 558 T HN 0.643 nan 8.240 nan 0.000 0.444 559 C N 1.829 120.999 119.300 -0.216 0.000 2.429 559 C HA -0.082 4.377 4.460 -0.000 0.000 0.277 559 C C 2.456 177.308 174.990 -0.229 0.000 1.262 559 C CA 0.604 59.445 59.018 -0.295 0.000 1.733 559 C CB -1.259 26.478 27.740 -0.006 0.000 2.010 559 C HN 0.459 nan 8.230 nan 0.000 0.483 560 D N 1.254 121.604 120.400 -0.085 0.000 2.178 560 D HA -0.098 4.542 4.640 -0.000 0.000 0.201 560 D C 1.940 178.201 176.300 -0.065 0.000 0.980 560 D CA 1.306 55.302 54.000 -0.006 0.000 0.842 560 D CB -0.226 40.629 40.800 0.091 0.000 0.948 560 D HN 0.655 nan 8.370 nan 0.000 0.472 561 I N -0.389 120.046 120.570 -0.225 0.000 2.339 561 I HA -0.111 4.059 4.170 -0.000 0.000 0.245 561 I C 2.087 178.007 176.117 -0.328 0.000 1.096 561 I CA 0.510 61.585 61.300 -0.376 0.000 1.408 561 I CB -0.035 37.596 38.000 -0.614 0.000 1.092 561 I HN -0.178 nan 8.210 nan 0.000 0.423 562 K N 0.995 121.128 120.400 -0.445 0.000 2.458 562 K HA -0.001 4.318 4.320 -0.000 0.000 0.194 562 K C 0.242 176.574 176.600 -0.447 0.000 1.024 562 K CA 0.106 56.090 56.287 -0.505 0.000 1.108 562 K CB -0.409 31.661 32.500 -0.717 0.000 0.846 562 K HN 0.027 nan 8.250 nan 0.000 0.518 563 D N 1.205 121.408 120.400 -0.328 0.000 2.382 563 D HA -0.014 4.626 4.640 -0.000 0.000 0.259 563 D C -1.570 174.664 176.300 -0.109 0.000 1.224 563 D CA -1.838 52.077 54.000 -0.142 0.000 0.894 563 D CB 1.362 42.113 40.800 -0.080 0.000 1.127 563 D HN 0.085 nan 8.370 nan 0.000 0.487 564 P HA -0.085 nan 4.420 nan 0.000 0.222 564 P C 0.728 178.021 177.300 -0.012 0.000 1.147 564 P CA 0.632 63.644 63.100 -0.147 0.000 0.790 564 P CB 0.484 31.937 31.700 -0.412 0.000 0.780 565 S N -1.360 114.360 115.700 0.033 0.000 2.492 565 S HA 0.049 4.519 4.470 -0.000 0.000 0.218 565 S C 0.704 175.319 174.600 0.024 0.000 1.016 565 S CA -0.055 58.179 58.200 0.057 0.000 0.916 565 S CB -0.383 62.869 63.200 0.088 0.000 0.791 565 S HN 0.043 nan 8.310 nan 0.000 0.513 566 Q N 0.787 120.588 119.800 0.001 0.000 2.493 566 Q HA -0.182 4.157 4.340 -0.000 0.000 0.278 566 Q C 0.412 176.417 176.000 0.007 0.000 1.216 566 Q CA 0.355 56.154 55.803 -0.007 0.000 0.875 566 Q CB -2.030 26.704 28.738 -0.007 0.000 1.262 566 Q HN 0.513 nan 8.270 nan 0.000 0.468 567 N N -0.201 118.510 118.700 0.019 0.000 2.336 567 N HA 0.112 4.852 4.740 -0.000 0.000 0.177 567 N C 0.690 176.213 175.510 0.021 0.000 1.018 567 N CA 0.578 53.643 53.050 0.025 0.000 0.878 567 N CB 0.329 38.845 38.487 0.047 0.000 0.997 567 N HN 0.419 nan 8.380 nan 0.000 0.433 568 I N 0.800 121.386 120.570 0.027 0.000 2.696 568 I HA 0.075 4.245 4.170 -0.000 0.000 0.284 568 I C -0.095 176.038 176.117 0.026 0.000 1.129 568 I CA -0.169 61.154 61.300 0.039 0.000 1.410 568 I CB 0.505 38.540 38.000 0.058 0.000 1.399 568 I HN 0.122 nan 8.210 nan 0.000 0.579 569 N N 5.859 124.569 118.700 0.016 0.000 2.640 569 N HA 0.118 4.858 4.740 -0.000 0.000 0.262 569 N C -1.179 174.336 175.510 0.007 0.000 1.174 569 N CA -0.576 52.477 53.050 0.006 0.000 0.791 569 N CB 0.568 39.031 38.487 -0.040 0.000 1.279 569 N HN 0.543 nan 8.380 nan 0.000 0.535 570 W N 4.284 125.505 121.300 -0.132 0.000 2.314 570 W HA 0.297 4.957 4.660 -0.000 0.000 0.339 570 W C -0.631 175.798 176.519 -0.150 0.000 1.293 570 W CA 0.447 57.684 57.345 -0.181 0.000 1.288 570 W CB 0.477 29.818 29.460 -0.199 0.000 1.186 570 W HN 0.183 nan 8.180 nan 0.000 0.566 571 V N 6.964 126.437 119.914 -0.735 0.000 2.925 571 V HA 0.250 4.370 4.120 -0.000 0.000 0.311 571 V C -0.126 175.308 176.094 -1.101 0.000 1.104 571 V CA -1.396 60.585 62.300 -0.531 0.000 0.954 571 V CB 1.403 32.916 31.823 -0.516 0.000 1.022 571 V HN 0.444 nan 8.190 nan 0.000 0.427 572 V N 2.516 122.018 119.914 -0.687 0.000 2.493 572 V HA 0.283 4.403 4.120 -0.000 0.000 0.292 572 V C -1.483 174.421 176.094 -0.315 0.000 1.016 572 V CA -0.519 61.418 62.300 -0.605 0.000 1.097 572 V CB -0.080 31.564 31.823 -0.298 0.000 0.947 572 V HN 0.810 nan 8.190 nan 0.000 0.479 573 P HA 0.255 nan 4.420 nan 0.000 0.333 573 P C -0.237 177.043 177.300 -0.033 0.000 1.315 573 P CA -0.561 62.418 63.100 -0.202 0.000 0.746 573 P CB 0.703 32.103 31.700 -0.500 0.000 1.575 574 E N -0.637 119.549 120.200 -0.023 0.000 2.217 574 E HA 0.294 4.644 4.350 -0.000 0.000 0.279 574 E C 0.484 177.124 176.600 0.066 0.000 1.068 574 E CA -0.307 56.115 56.400 0.037 0.000 0.882 574 E CB -0.297 29.410 29.700 0.012 0.000 1.039 574 E HN 0.457 nan 8.360 nan 0.000 0.418 575 G N 2.690 111.543 108.800 0.089 0.000 2.115 575 G HA2 0.173 4.133 3.960 -0.000 0.000 0.244 575 G HA3 0.173 4.133 3.960 -0.000 0.000 0.244 575 G C 0.940 175.836 174.900 -0.006 0.000 1.105 575 G CA 0.273 45.413 45.100 0.065 0.000 0.893 575 G HN 0.841 nan 8.290 nan 0.000 0.443 576 G N 0.988 109.808 108.800 0.033 0.000 2.211 576 G HA2 0.088 4.048 3.960 -0.000 0.000 0.201 576 G HA3 0.088 4.048 3.960 -0.000 0.000 0.201 576 G C 0.926 175.866 174.900 0.065 0.000 0.997 576 G CA 0.496 45.589 45.100 -0.012 0.000 0.652 576 G HN 1.567 nan 8.290 nan 0.000 0.500 577 G N -0.278 108.658 108.800 0.228 0.000 2.485 577 G HA2 0.691 4.651 3.960 -0.000 0.000 0.260 577 G HA3 0.691 4.651 3.960 -0.000 0.000 0.260 577 G C 1.275 176.372 174.900 0.329 0.000 1.459 577 G CA 1.479 46.824 45.100 0.407 0.000 1.060 577 G HN 1.988 nan 8.290 nan 0.000 0.546 578 G N -1.174 107.720 108.800 0.157 0.000 2.642 578 G HA2 -0.004 3.956 3.960 -0.000 0.000 0.231 578 G HA3 -0.004 3.956 3.960 -0.000 0.000 0.231 578 G C -2.977 171.742 174.900 -0.302 0.000 1.338 578 G CA -0.019 44.890 45.100 -0.319 0.000 0.883 578 G HN 0.760 nan 8.290 nan 0.000 0.570 579 P HA 0.611 nan 4.420 nan 0.000 0.284 579 P C -0.678 176.438 177.300 -0.307 0.000 1.287 579 P CA 0.369 63.175 63.100 -0.490 0.000 0.824 579 P CB 1.455 32.532 31.700 -1.039 0.000 1.180 580 A N 0.936 123.584 122.820 -0.287 0.000 2.508 580 A HA 0.434 4.754 4.320 -0.000 0.000 0.336 580 A C -1.192 176.387 177.584 -0.008 0.000 1.360 580 A CA -0.444 51.541 52.037 -0.086 0.000 0.841 580 A CB -0.696 18.287 19.000 -0.029 0.000 1.136 580 A HN 0.474 nan 8.150 nan 0.000 0.489 581 Y N 2.026 122.383 120.300 0.096 0.000 2.404 581 Y HA 0.230 4.780 4.550 -0.000 0.000 0.344 581 Y C 0.627 176.566 175.900 0.066 0.000 0.970 581 Y CA -0.681 57.460 58.100 0.069 0.000 1.180 581 Y CB 1.106 39.605 38.460 0.064 0.000 1.138 581 Y HN 0.712 nan 8.280 nan 0.000 0.510 582 N N 2.760 121.597 118.700 0.227 0.000 2.500 582 N HA 0.226 4.965 4.740 -0.000 0.000 0.236 582 N C 0.348 175.893 175.510 0.058 0.000 1.022 582 N CA 0.343 53.498 53.050 0.174 0.000 0.935 582 N CB 0.688 39.282 38.487 0.178 0.000 1.147 582 N HN 0.865 nan 8.380 nan 0.000 0.512 583 G N 3.253 111.996 108.800 -0.096 0.000 2.295 583 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.287 583 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.287 583 G C 0.162 174.890 174.900 -0.288 0.000 1.055 583 G CA 0.186 44.913 45.100 -0.620 0.000 0.922 583 G HN 0.455 nan 8.290 nan 0.000 0.503 584 M N 0.000 119.512 119.600 -0.147 0.000 2.572 584 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 584 M CA 0.000 55.202 55.300 -0.163 0.000 0.988 584 M CB 0.000 32.407 32.600 -0.322 0.000 1.302 584 M HN 0.000 nan 8.290 nan 0.000 0.411