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 1wao_1_3 DATA FIRST_RESID 23 DATA SEQUENCE GALKRAEELK TQANDYFKAK DYENAIKFYS QAIELNPSNA IYYGNRSLAY DATA SEQUENCE LRTECYGYAL GDATRAIELD KKYIKGYYRR AASNMALGKF RAALRDYETV DATA SEQUENCE VKVKPHDKDA KMKYQECNKI VKQKAFERAX XXXXXKRSVV DSLDIESMTI DATA SEQUENCE EDEYSGPKLE DGKVTISFMK ELMQWYKDQK KLHRKCAYQI LVQVKEVLSK DATA SEQUENCE LSTLVETTLK ETEKITVCGD THGQFYDLLN IFELNGLPSE TNPYIFNGDF DATA SEQUENCE VDRGSFSVEV ILTLFGFKLL YPDHFHLLRG NHETDNMNQI YGFEGEVKAK DATA SEQUENCE YTAQMYELFS EVFEWLPLAQ CINGKVLIMH GGLFSEDGVT LDDIRKIERN DATA SEQUENCE RQPPDSGPMC DLLWSDPQPQ NGRSISKRGV SCQFGPDVTK AFLEENNLDY DATA SEQUENCE IIRSHEVKAE GYEVAHGGRC VTVFSAPNYC DQMGNKASYI HLQGSDLRPQ DATA SEQUENCE FHQFTAVPHP NVKPMAYANT LLQLGMM 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 23 G HA2 0.000 nan 3.960 nan 0.000 0.244 23 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 23 G C 0.000 174.886 174.900 -0.023 0.000 0.946 23 G CA 0.000 45.089 45.100 -0.019 0.000 0.502 24 A N -0.372 122.432 122.820 -0.027 0.000 2.639 24 A HA 0.560 4.880 4.320 -0.000 0.000 0.221 24 A C 0.841 178.401 177.584 -0.040 0.000 0.879 24 A CA 0.292 52.310 52.037 -0.033 0.000 1.189 24 A CB -0.228 18.751 19.000 -0.035 0.000 1.231 24 A HN 0.731 nan 8.150 nan 0.000 0.457 25 L N -0.535 120.668 121.223 -0.034 0.000 2.554 25 L HA 0.267 4.607 4.340 -0.000 0.000 0.226 25 L C 1.849 178.699 176.870 -0.034 0.000 1.137 25 L CA 1.777 56.594 54.840 -0.039 0.000 0.863 25 L CB -0.112 41.930 42.059 -0.029 0.000 0.985 25 L HN 0.314 nan 8.230 nan 0.000 0.451 26 K N 0.017 120.401 120.400 -0.027 0.000 2.243 26 K HA -0.034 4.286 4.320 -0.000 0.000 0.201 26 K C 1.188 177.775 176.600 -0.023 0.000 1.051 26 K CA 0.475 56.751 56.287 -0.019 0.000 0.970 26 K CB -0.011 32.479 32.500 -0.016 0.000 0.755 26 K HN 0.008 nan 8.250 nan 0.000 0.465 27 R N 0.236 120.713 120.500 -0.038 0.000 4.496 27 R HA 0.317 4.657 4.340 -0.000 0.000 0.211 27 R C -0.341 175.916 176.300 -0.071 0.000 1.738 27 R CA 0.367 56.439 56.100 -0.046 0.000 1.528 27 R CB -0.421 29.848 30.300 -0.051 0.000 1.414 27 R HN 0.245 nan 8.270 nan 0.000 0.812 28 A N 0.643 123.425 122.820 -0.063 0.000 1.728 28 A HA 0.114 4.434 4.320 -0.000 0.000 0.202 28 A C 1.510 179.108 177.584 0.024 0.000 1.758 28 A CA 0.028 51.972 52.037 -0.155 0.000 1.146 28 A CB -0.121 18.750 19.000 -0.215 0.000 1.056 28 A HN 0.470 nan 8.150 nan 0.000 0.539 29 E N 0.653 120.943 120.200 0.150 0.000 2.216 29 E HA -0.118 4.232 4.350 -0.000 0.000 0.192 29 E C 1.394 178.100 176.600 0.176 0.000 0.988 29 E CA 0.888 57.465 56.400 0.294 0.000 0.834 29 E CB -0.058 29.760 29.700 0.197 0.000 0.772 29 E HN 0.684 nan 8.360 nan 0.000 0.479 30 E N 0.279 120.535 120.200 0.093 0.000 2.219 30 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 30 E C 1.414 178.051 176.600 0.063 0.000 0.998 30 E CA 0.837 57.266 56.400 0.048 0.000 0.818 30 E CB -0.036 29.668 29.700 0.007 0.000 0.741 30 E HN 0.337 nan 8.360 nan 0.000 0.477 31 L N 0.285 121.578 121.223 0.117 0.000 2.791 31 L HA 0.143 4.483 4.340 -0.000 0.000 0.239 31 L C 1.868 178.892 176.870 0.256 0.000 1.203 31 L CA 0.020 54.950 54.840 0.148 0.000 1.002 31 L CB 0.251 42.376 42.059 0.110 0.000 1.295 31 L HN -0.039 nan 8.230 nan 0.000 0.504 32 K N -0.931 119.607 120.400 0.230 0.000 2.399 32 K HA 0.069 4.389 4.320 -0.000 0.000 0.196 32 K C 1.494 178.104 176.600 0.017 0.000 1.117 32 K CA 0.426 56.777 56.287 0.108 0.000 0.965 32 K CB 0.540 33.010 32.500 -0.051 0.000 0.983 32 K HN 0.037 nan 8.250 nan 0.000 0.531 33 T N 1.090 115.664 114.554 0.034 0.000 3.023 33 T HA 0.009 4.359 4.350 -0.000 0.000 0.266 33 T C 1.319 176.000 174.700 -0.032 0.000 1.093 33 T CA 0.853 62.950 62.100 -0.005 0.000 1.129 33 T CB 0.171 69.041 68.868 0.004 0.000 0.899 33 T HN 0.302 nan 8.240 nan 0.000 0.491 34 Q N 0.452 120.257 119.800 0.008 0.000 2.385 34 Q HA 0.379 4.719 4.340 -0.000 0.000 0.195 34 Q C 2.807 178.763 176.000 -0.074 0.000 0.977 34 Q CA 0.533 56.342 55.803 0.011 0.000 0.856 34 Q CB -0.337 28.561 28.738 0.267 0.000 0.986 34 Q HN 0.366 nan 8.270 nan 0.000 0.558 35 A N 2.559 125.437 122.820 0.095 0.000 1.894 35 A HA -0.330 3.990 4.320 -0.000 0.000 0.220 35 A C 1.939 179.235 177.584 -0.481 0.000 1.237 35 A CA 2.325 54.227 52.037 -0.226 0.000 0.660 35 A CB -1.241 17.460 19.000 -0.498 0.000 0.835 35 A HN 0.495 nan 8.150 nan 0.000 0.461 36 N N -0.508 117.938 118.700 -0.423 0.000 2.244 36 N HA -0.177 4.563 4.740 -0.000 0.000 0.183 36 N C 1.417 176.903 175.510 -0.040 0.000 1.016 36 N CA 1.609 54.557 53.050 -0.170 0.000 0.866 36 N CB -0.464 38.011 38.487 -0.019 0.000 0.980 36 N HN 0.532 nan 8.380 nan 0.000 0.430 37 D N -0.433 119.903 120.400 -0.107 0.000 2.218 37 D HA -0.167 4.473 4.640 -0.000 0.000 0.204 37 D C 1.147 177.387 176.300 -0.100 0.000 0.976 37 D CA 0.638 54.573 54.000 -0.109 0.000 0.853 37 D CB -0.017 40.670 40.800 -0.187 0.000 0.939 37 D HN 0.284 nan 8.370 nan 0.000 0.481 38 Y N -0.126 120.097 120.300 -0.128 0.000 2.274 38 Y HA -0.150 4.400 4.550 -0.000 0.000 0.290 38 Y C 2.048 177.881 175.900 -0.110 0.000 1.145 38 Y CA 0.401 58.388 58.100 -0.189 0.000 1.203 38 Y CB -0.741 37.517 38.460 -0.337 0.000 0.984 38 Y HN -0.043 nan 8.280 nan 0.000 0.533 39 F N 1.044 121.009 119.950 0.026 0.000 2.063 39 F HA -0.394 4.133 4.527 -0.000 0.000 0.297 39 F C 2.133 177.939 175.800 0.010 0.000 1.099 39 F CA 2.105 60.159 58.000 0.090 0.000 1.220 39 F CB -0.393 38.705 39.000 0.163 0.000 0.972 39 F HN -0.085 nan 8.300 nan 0.000 0.487 40 K N -0.085 120.411 120.400 0.159 0.000 2.113 40 K HA -0.121 4.199 4.320 -0.000 0.000 0.208 40 K C 1.947 178.511 176.600 -0.060 0.000 1.047 40 K CA 1.343 57.662 56.287 0.053 0.000 0.928 40 K CB -0.801 31.730 32.500 0.051 0.000 0.716 40 K HN 0.318 nan 8.250 nan 0.000 0.446 41 A N 0.205 122.966 122.820 -0.098 0.000 2.251 41 A HA 0.049 4.369 4.320 -0.000 0.000 0.209 41 A C 0.153 177.547 177.584 -0.317 0.000 1.187 41 A CA 0.437 52.388 52.037 -0.142 0.000 0.823 41 A CB -0.317 18.643 19.000 -0.066 0.000 0.846 41 A HN 0.339 nan 8.150 nan 0.000 0.486 42 K N -0.666 119.397 120.400 -0.561 0.000 3.274 42 K HA -0.170 4.150 4.320 -0.000 0.000 0.300 42 K C -0.137 175.671 176.600 -1.320 0.000 1.230 42 K CA 0.979 56.511 56.287 -1.258 0.000 0.884 42 K CB -1.298 30.849 32.500 -0.587 0.000 1.242 42 K HN 0.515 nan 8.250 nan 0.000 0.467 43 D N 0.377 120.318 120.400 -0.764 0.000 2.934 43 D HA 0.025 4.665 4.640 -0.000 0.000 0.237 43 D C 0.557 176.531 176.300 -0.543 0.000 1.158 43 D CA -0.068 53.583 54.000 -0.581 0.000 0.971 43 D CB -0.080 40.416 40.800 -0.506 0.000 1.123 43 D HN 0.226 nan 8.370 nan 0.000 0.467 44 Y N 0.209 120.398 120.300 -0.185 0.000 2.384 44 Y HA -0.148 4.402 4.550 -0.000 0.000 0.289 44 Y C 2.121 177.949 175.900 -0.119 0.000 1.152 44 Y CA 0.516 58.562 58.100 -0.091 0.000 1.258 44 Y CB -0.219 38.212 38.460 -0.047 0.000 0.979 44 Y HN 0.164 nan 8.280 nan 0.000 0.549 45 E N 0.440 120.579 120.200 -0.102 0.000 2.001 45 E HA -0.155 4.195 4.350 -0.000 0.000 0.195 45 E C 1.654 178.117 176.600 -0.229 0.000 1.002 45 E CA 1.411 57.732 56.400 -0.131 0.000 0.819 45 E CB -0.467 29.124 29.700 -0.182 0.000 0.769 45 E HN 0.336 nan 8.360 nan 0.000 0.454 46 N N -0.039 118.354 118.700 -0.513 0.000 2.609 46 N HA -0.031 4.709 4.740 -0.000 0.000 0.190 46 N C 0.902 175.965 175.510 -0.745 0.000 1.157 46 N CA 0.796 53.406 53.050 -0.735 0.000 0.918 46 N CB 0.282 37.948 38.487 -1.367 0.000 0.978 46 N HN 0.138 nan 8.380 nan 0.000 0.448 47 A N 0.412 122.985 122.820 -0.410 0.000 1.956 47 A HA 0.168 4.488 4.320 -0.000 0.000 0.212 47 A C 2.130 179.673 177.584 -0.069 0.000 1.188 47 A CA 0.128 52.062 52.037 -0.172 0.000 0.675 47 A CB -0.079 18.947 19.000 0.043 0.000 0.845 47 A HN 0.126 nan 8.150 nan 0.000 0.455 48 I N -0.153 120.436 120.570 0.033 0.000 2.439 48 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 48 I C 2.174 178.334 176.117 0.072 0.000 1.139 48 I CA 0.827 62.158 61.300 0.053 0.000 1.438 48 I CB -0.167 37.827 38.000 -0.010 0.000 1.085 48 I HN 0.156 nan 8.210 nan 0.000 0.427 49 K N 1.235 121.684 120.400 0.082 0.000 1.973 49 K HA -0.096 4.224 4.320 -0.000 0.000 0.212 49 K C 1.954 178.741 176.600 0.313 0.000 1.047 49 K CA 1.690 58.082 56.287 0.176 0.000 0.937 49 K CB -0.940 31.684 32.500 0.207 0.000 0.721 49 K HN 0.305 nan 8.250 nan 0.000 0.440 50 F N -0.156 119.802 119.950 0.013 0.000 2.583 50 F HA -0.146 4.381 4.527 -0.000 0.000 0.297 50 F C 1.659 177.491 175.800 0.054 0.000 1.131 50 F CA 0.271 58.281 58.000 0.018 0.000 1.467 50 F CB -0.175 38.831 39.000 0.010 0.000 1.097 50 F HN 0.148 nan 8.300 nan 0.000 0.586 51 Y N -1.690 118.717 120.300 0.178 0.000 2.457 51 Y HA 0.061 4.611 4.550 -0.000 0.000 0.263 51 Y C 1.448 177.311 175.900 -0.063 0.000 1.164 51 Y CA -0.385 57.742 58.100 0.045 0.000 1.274 51 Y CB 0.418 38.864 38.460 -0.023 0.000 1.097 51 Y HN -0.162 nan 8.280 nan 0.000 0.523 52 S N -0.305 115.468 115.700 0.122 0.000 2.664 52 S HA 0.129 4.599 4.470 -0.000 0.000 0.245 52 S C 0.857 175.466 174.600 0.015 0.000 1.019 52 S CA -0.137 58.075 58.200 0.019 0.000 0.996 52 S CB 0.348 63.561 63.200 0.022 0.000 0.878 52 S HN 0.475 nan 8.310 nan 0.000 0.493 53 Q N 0.117 119.939 119.800 0.037 0.000 2.471 53 Q HA 0.363 4.703 4.340 -0.000 0.000 0.259 53 Q C 2.076 178.063 176.000 -0.022 0.000 0.850 53 Q CA 0.506 56.300 55.803 -0.014 0.000 0.981 53 Q CB 0.051 28.751 28.738 -0.063 0.000 1.180 53 Q HN 0.437 nan 8.270 nan 0.000 0.571 54 A N 0.622 123.463 122.820 0.036 0.000 1.975 54 A HA -0.017 4.303 4.320 -0.000 0.000 0.215 54 A C 1.793 179.280 177.584 -0.161 0.000 1.170 54 A CA 0.773 52.801 52.037 -0.013 0.000 0.656 54 A CB -0.007 19.119 19.000 0.211 0.000 0.821 54 A HN 0.180 nan 8.150 nan 0.000 0.449 55 I N -0.185 120.305 120.570 -0.134 0.000 2.585 55 I HA -0.077 4.093 4.170 -0.000 0.000 0.254 55 I C 2.299 178.335 176.117 -0.135 0.000 1.129 55 I CA 1.543 62.702 61.300 -0.235 0.000 1.455 55 I CB -1.016 36.715 38.000 -0.449 0.000 1.111 55 I HN 0.516 nan 8.210 nan 0.000 0.433 56 E N 1.634 121.781 120.200 -0.088 0.000 2.153 56 E HA -0.150 4.200 4.350 -0.000 0.000 0.194 56 E C 1.181 177.751 176.600 -0.051 0.000 0.988 56 E CA 1.322 57.692 56.400 -0.049 0.000 0.811 56 E CB -0.141 29.538 29.700 -0.035 0.000 0.746 56 E HN 0.473 nan 8.360 nan 0.000 0.466 57 L N 0.700 121.880 121.223 -0.072 0.000 3.108 57 L HA 0.406 4.746 4.340 -0.000 0.000 0.251 57 L C -0.027 176.781 176.870 -0.105 0.000 1.315 57 L CA -0.169 54.626 54.840 -0.074 0.000 1.048 57 L CB -0.267 41.750 42.059 -0.069 0.000 1.432 57 L HN 0.160 nan 8.230 nan 0.000 0.543 58 N N 0.863 119.496 118.700 -0.112 0.000 3.884 58 N HA -0.023 4.717 4.740 -0.000 0.000 0.110 58 N C -2.711 172.734 175.510 -0.107 0.000 0.959 58 N CA -0.286 52.679 53.050 -0.141 0.000 2.629 58 N CB 0.888 39.223 38.487 -0.254 0.000 1.472 58 N HN -0.083 nan 8.380 nan 0.000 0.776 59 P HA 0.130 nan 4.420 nan 0.000 0.228 59 P C -0.132 177.255 177.300 0.145 0.000 1.748 59 P CA 0.337 63.522 63.100 0.141 0.000 0.909 59 P CB -0.297 31.482 31.700 0.132 0.000 1.882 60 S N -2.068 113.681 115.700 0.081 0.000 2.927 60 S HA 0.091 4.561 4.470 -0.000 0.000 0.246 60 S C 0.137 174.746 174.600 0.016 0.000 0.907 60 S CA -0.583 57.637 58.200 0.033 0.000 1.326 60 S CB -0.627 62.566 63.200 -0.012 0.000 1.216 60 S HN 0.066 nan 8.310 nan 0.000 0.652 61 N N 1.864 120.580 118.700 0.026 0.000 2.419 61 N HA 0.553 5.293 4.740 -0.000 0.000 0.264 61 N C 0.809 176.378 175.510 0.098 0.000 1.031 61 N CA 0.419 53.480 53.050 0.018 0.000 0.951 61 N CB 1.729 40.139 38.487 -0.128 0.000 1.101 61 N HN 0.396 nan 8.380 nan 0.000 0.488 62 A N 4.200 127.006 122.820 -0.024 0.000 2.235 62 A HA 0.074 4.394 4.320 -0.000 0.000 0.208 62 A C 1.758 179.089 177.584 -0.423 0.000 1.172 62 A CA 0.505 52.439 52.037 -0.171 0.000 0.786 62 A CB -0.187 18.656 19.000 -0.263 0.000 0.804 62 A HN 0.783 nan 8.150 nan 0.000 0.479 63 I N -2.317 118.142 120.570 -0.185 0.000 2.731 63 I HA -0.076 4.094 4.170 -0.000 0.000 0.260 63 I C 1.949 178.008 176.117 -0.098 0.000 1.138 63 I CA 0.763 61.925 61.300 -0.230 0.000 1.461 63 I CB -0.203 37.707 38.000 -0.150 0.000 1.128 63 I HN 0.336 nan 8.210 nan 0.000 0.438 64 Y N -0.442 119.779 120.300 -0.132 0.000 2.231 64 Y HA -0.080 4.470 4.550 -0.000 0.000 0.294 64 Y C 2.106 177.795 175.900 -0.352 0.000 1.120 64 Y CA 0.591 58.540 58.100 -0.252 0.000 1.141 64 Y CB -0.974 37.368 38.460 -0.196 0.000 1.022 64 Y HN -0.003 nan 8.280 nan 0.000 0.523 65 Y N 0.602 120.897 120.300 -0.010 0.000 2.680 65 Y HA -0.008 4.542 4.550 -0.000 0.000 0.303 65 Y C 2.001 177.896 175.900 -0.008 0.000 1.166 65 Y CA 0.592 58.666 58.100 -0.044 0.000 1.344 65 Y CB -0.523 37.927 38.460 -0.017 0.000 1.002 65 Y HN 0.122 nan 8.280 nan 0.000 0.537 66 G N -0.697 108.194 108.800 0.150 0.000 2.765 66 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.218 66 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.218 66 G C 1.464 176.398 174.900 0.057 0.000 1.271 66 G CA 0.163 45.414 45.100 0.251 0.000 0.865 66 G HN 0.182 nan 8.290 nan 0.000 0.604 67 N N 0.927 119.611 118.700 -0.026 0.000 2.133 67 N HA -0.186 4.554 4.740 -0.000 0.000 0.193 67 N C 2.079 177.508 175.510 -0.135 0.000 1.012 67 N CA 1.248 54.232 53.050 -0.111 0.000 0.871 67 N CB -0.330 38.095 38.487 -0.103 0.000 1.011 67 N HN 0.379 nan 8.380 nan 0.000 0.435 68 R N 1.246 121.476 120.500 -0.450 0.000 2.127 68 R HA -0.091 4.249 4.340 -0.000 0.000 0.238 68 R C 2.051 178.402 176.300 0.084 0.000 1.134 68 R CA 1.696 57.580 56.100 -0.361 0.000 0.975 68 R CB -0.122 29.810 30.300 -0.613 0.000 0.865 68 R HN 0.348 nan 8.270 nan 0.000 0.447 69 S N -0.027 115.755 115.700 0.136 0.000 2.515 69 S HA -0.097 4.373 4.470 -0.000 0.000 0.231 69 S C 1.694 176.453 174.600 0.264 0.000 0.987 69 S CA 0.580 58.942 58.200 0.271 0.000 0.936 69 S CB -0.034 63.287 63.200 0.202 0.000 0.766 69 S HN 0.329 nan 8.310 nan 0.000 0.528 70 L N 1.843 123.200 121.223 0.222 0.000 2.121 70 L HA 0.494 4.834 4.340 -0.000 0.000 0.200 70 L C 2.594 179.679 176.870 0.358 0.000 1.077 70 L CA 1.605 56.596 54.840 0.252 0.000 0.766 70 L CB -1.346 40.814 42.059 0.168 0.000 0.931 70 L HN 0.246 nan 8.230 nan 0.000 0.452 71 A N -1.725 121.419 122.820 0.539 0.000 2.070 71 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 71 A C 2.244 180.025 177.584 0.327 0.000 1.159 71 A CA 1.524 53.863 52.037 0.502 0.000 0.656 71 A CB -1.130 18.347 19.000 0.795 0.000 0.800 71 A HN 0.665 nan 8.150 nan 0.000 0.453 72 Y N -1.830 118.595 120.300 0.208 0.000 2.546 72 Y HA 0.081 4.631 4.550 -0.000 0.000 0.287 72 Y C 1.757 177.735 175.900 0.130 0.000 1.158 72 Y CA 0.053 58.254 58.100 0.170 0.000 1.307 72 Y CB 0.401 38.983 38.460 0.203 0.000 1.036 72 Y HN 0.336 nan 8.280 nan 0.000 0.532 73 L N -0.509 120.868 121.223 0.257 0.000 2.575 73 L HA 0.150 4.490 4.340 -0.000 0.000 0.228 73 L C 1.813 178.764 176.870 0.135 0.000 1.075 73 L CA 0.994 55.968 54.840 0.224 0.000 0.867 73 L CB -0.203 42.011 42.059 0.259 0.000 1.097 73 L HN -0.081 nan 8.230 nan 0.000 0.485 74 R N -1.050 119.446 120.500 -0.007 0.000 2.276 74 R HA 0.014 4.354 4.340 -0.000 0.000 0.203 74 R C 1.375 177.577 176.300 -0.163 0.000 1.017 74 R CA 1.309 57.300 56.100 -0.181 0.000 1.010 74 R CB -0.163 29.759 30.300 -0.631 0.000 0.900 74 R HN 0.482 nan 8.270 nan 0.000 0.469 75 T N -2.648 111.845 114.554 -0.101 0.000 3.107 75 T HA 0.123 4.473 4.350 -0.000 0.000 0.249 75 T C 0.291 174.877 174.700 -0.189 0.000 1.096 75 T CA -0.163 61.887 62.100 -0.083 0.000 1.012 75 T CB 0.144 69.017 68.868 0.010 0.000 0.977 75 T HN 0.232 nan 8.240 nan 0.000 0.527 76 E N -0.970 119.070 120.200 -0.267 0.000 3.181 76 E HA -0.157 4.193 4.350 -0.000 0.000 0.293 76 E C -0.567 175.531 176.600 -0.837 0.000 0.936 76 E CA 0.307 56.265 56.400 -0.737 0.000 0.975 76 E CB -2.394 26.972 29.700 -0.558 0.000 1.496 76 E HN 0.631 nan 8.360 nan 0.000 0.429 77 C N 1.698 120.724 119.300 -0.456 0.000 2.861 77 C HA 0.184 4.644 4.460 -0.000 0.000 0.542 77 C C 1.734 176.553 174.990 -0.285 0.000 1.074 77 C CA -0.517 58.226 59.018 -0.459 0.000 1.232 77 C CB -2.148 25.277 27.740 -0.524 0.000 1.433 77 C HN 0.359 nan 8.230 nan 0.000 0.606 78 Y N 1.446 121.684 120.300 -0.102 0.000 2.036 78 Y HA -0.182 4.368 4.550 -0.000 0.000 0.273 78 Y C 2.663 178.548 175.900 -0.024 0.000 1.135 78 Y CA 0.977 59.065 58.100 -0.020 0.000 1.106 78 Y CB -0.607 37.885 38.460 0.054 0.000 0.976 78 Y HN 0.573 nan 8.280 nan 0.000 0.483 79 G N -1.099 107.784 108.800 0.137 0.000 2.549 79 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.222 79 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.222 79 G C 1.112 176.192 174.900 0.299 0.000 1.100 79 G CA 1.074 46.262 45.100 0.148 0.000 0.739 79 G HN 0.512 nan 8.290 nan 0.000 0.577 80 Y N -0.342 119.887 120.300 -0.118 0.000 2.284 80 Y HA 0.210 4.760 4.550 -0.000 0.000 0.293 80 Y C 3.121 178.980 175.900 -0.068 0.000 1.140 80 Y CA 0.038 58.022 58.100 -0.193 0.000 1.153 80 Y CB -0.027 38.045 38.460 -0.647 0.000 1.114 80 Y HN 0.201 nan 8.280 nan 0.000 0.521 81 A N 0.616 123.479 122.820 0.071 0.000 2.076 81 A HA -0.205 4.115 4.320 -0.000 0.000 0.220 81 A C 1.985 179.678 177.584 0.181 0.000 1.160 81 A CA 1.147 53.326 52.037 0.235 0.000 0.653 81 A CB -0.976 18.168 19.000 0.240 0.000 0.801 81 A HN 0.495 nan 8.150 nan 0.000 0.455 82 L N -0.008 121.302 121.223 0.145 0.000 1.934 82 L HA -0.156 4.184 4.340 -0.000 0.000 0.227 82 L C 2.290 179.203 176.870 0.071 0.000 1.084 82 L CA 2.818 57.716 54.840 0.097 0.000 0.790 82 L CB -1.105 41.008 42.059 0.091 0.000 0.896 82 L HN 0.245 nan 8.230 nan 0.000 0.437 83 G N -1.784 107.056 108.800 0.068 0.000 2.712 83 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.212 83 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.212 83 G C 1.321 176.249 174.900 0.047 0.000 1.142 83 G CA 0.562 45.678 45.100 0.027 0.000 0.789 83 G HN 0.607 nan 8.290 nan 0.000 0.535 84 D N 1.570 122.057 120.400 0.144 0.000 2.178 84 D HA -0.065 4.575 4.640 -0.000 0.000 0.201 84 D C 2.211 178.635 176.300 0.207 0.000 0.980 84 D CA 1.097 55.250 54.000 0.256 0.000 0.842 84 D CB -0.002 41.048 40.800 0.418 0.000 0.948 84 D HN 0.253 nan 8.370 nan 0.000 0.472 85 A N -0.486 122.414 122.820 0.135 0.000 2.370 85 A HA 0.176 4.496 4.320 -0.000 0.000 0.238 85 A C 1.675 179.251 177.584 -0.012 0.000 1.289 85 A CA 0.111 52.199 52.037 0.086 0.000 0.885 85 A CB 0.003 19.047 19.000 0.073 0.000 0.961 85 A HN 0.149 nan 8.150 nan 0.000 0.499 86 T N -1.165 113.364 114.554 -0.042 0.000 3.015 86 T HA 0.047 4.397 4.350 -0.000 0.000 0.250 86 T C 1.746 176.359 174.700 -0.145 0.000 1.057 86 T CA 0.660 62.695 62.100 -0.108 0.000 1.066 86 T CB 0.007 68.821 68.868 -0.091 0.000 0.959 86 T HN 0.430 nan 8.240 nan 0.000 0.488 87 R N 1.553 121.945 120.500 -0.180 0.000 2.334 87 R HA 0.412 4.752 4.340 -0.000 0.000 0.220 87 R C 1.114 177.341 176.300 -0.121 0.000 0.917 87 R CA 0.148 56.077 56.100 -0.285 0.000 1.073 87 R CB -0.299 29.531 30.300 -0.782 0.000 1.056 87 R HN 0.218 nan 8.270 nan 0.000 0.506 88 A N -0.559 122.254 122.820 -0.012 0.000 2.508 88 A HA 0.375 4.695 4.320 -0.000 0.000 0.257 88 A C 0.893 178.542 177.584 0.108 0.000 1.226 88 A CA -0.234 51.871 52.037 0.113 0.000 0.947 88 A CB 0.184 19.401 19.000 0.361 0.000 1.079 88 A HN 0.324 nan 8.150 nan 0.000 0.531 89 I N -1.498 119.026 120.570 -0.076 0.000 4.338 89 I HA 0.139 4.309 4.170 -0.000 0.000 0.329 89 I C 1.419 177.459 176.117 -0.129 0.000 1.378 89 I CA 0.351 61.525 61.300 -0.211 0.000 1.170 89 I CB 0.616 38.314 38.000 -0.504 0.000 1.206 89 I HN 0.262 nan 8.210 nan 0.000 0.432 90 E N 0.770 120.910 120.200 -0.100 0.000 2.256 90 E HA 0.181 4.530 4.350 -0.000 0.000 0.198 90 E C 1.681 178.244 176.600 -0.061 0.000 0.908 90 E CA 0.369 56.720 56.400 -0.081 0.000 0.915 90 E CB 0.485 30.123 29.700 -0.105 0.000 0.890 90 E HN 0.285 nan 8.360 nan 0.000 0.484 91 L N 0.937 122.119 121.223 -0.069 0.000 2.599 91 L HA 0.128 4.468 4.340 -0.000 0.000 0.230 91 L C -0.387 176.452 176.870 -0.051 0.000 1.141 91 L CA 0.247 55.051 54.840 -0.059 0.000 0.877 91 L CB 0.284 42.304 42.059 -0.064 0.000 1.009 91 L HN 0.045 nan 8.230 nan 0.000 0.447 92 D N -1.189 119.195 120.400 -0.026 0.000 2.211 92 D HA 0.010 4.650 4.640 -0.000 0.000 0.130 92 D C 0.148 176.503 176.300 0.092 0.000 1.065 92 D CA -0.170 53.840 54.000 0.017 0.000 1.156 92 D CB 0.580 41.359 40.800 -0.034 0.000 2.851 92 D HN -0.179 nan 8.370 nan 0.000 0.616 93 K N 1.585 122.051 120.400 0.110 0.000 2.426 93 K HA 0.105 4.425 4.320 -0.000 0.000 0.193 93 K C 0.813 177.580 176.600 0.278 0.000 1.028 93 K CA 0.116 56.523 56.287 0.200 0.000 1.047 93 K CB 0.425 33.047 32.500 0.203 0.000 0.821 93 K HN 0.131 nan 8.250 nan 0.000 0.513 94 K N 0.803 121.322 120.400 0.199 0.000 2.627 94 K HA 0.008 4.328 4.320 -0.000 0.000 0.212 94 K C -0.593 176.164 176.600 0.262 0.000 1.041 94 K CA 0.103 56.498 56.287 0.182 0.000 1.205 94 K CB -0.186 32.384 32.500 0.117 0.000 0.936 94 K HN 0.067 nan 8.250 nan 0.000 0.489 95 Y N 1.663 122.041 120.300 0.131 0.000 2.842 95 Y HA 0.162 4.712 4.550 -0.000 0.000 0.334 95 Y C 0.927 176.944 175.900 0.195 0.000 1.019 95 Y CA -1.526 56.641 58.100 0.111 0.000 1.258 95 Y CB 0.135 38.627 38.460 0.054 0.000 1.106 95 Y HN -0.107 nan 8.280 nan 0.000 0.545 96 I N 2.658 123.293 120.570 0.110 0.000 2.315 96 I HA -0.205 3.965 4.170 -0.000 0.000 0.248 96 I C 1.950 178.064 176.117 -0.004 0.000 1.117 96 I CA 0.887 62.274 61.300 0.144 0.000 1.404 96 I CB -0.443 37.639 38.000 0.136 0.000 1.071 96 I HN 0.441 nan 8.210 nan 0.000 0.419 97 K N 0.952 121.140 120.400 -0.353 0.000 2.032 97 K HA -0.101 4.219 4.320 -0.000 0.000 0.209 97 K C 2.078 178.363 176.600 -0.525 0.000 1.048 97 K CA 1.526 57.538 56.287 -0.459 0.000 0.927 97 K CB -1.030 31.117 32.500 -0.588 0.000 0.712 97 K HN 0.407 nan 8.250 nan 0.000 0.441 98 G N -0.707 107.465 108.800 -1.045 0.000 2.534 98 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.217 98 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.217 98 G C 1.342 176.158 174.900 -0.139 0.000 1.128 98 G CA 0.175 45.029 45.100 -0.411 0.000 0.784 98 G HN 0.173 nan 8.290 nan 0.000 0.542 99 Y N -0.333 119.891 120.300 -0.128 0.000 2.177 99 Y HA 0.140 4.690 4.550 -0.000 0.000 0.291 99 Y C 2.427 178.244 175.900 -0.139 0.000 1.117 99 Y CA 0.283 58.326 58.100 -0.094 0.000 1.114 99 Y CB -0.404 38.007 38.460 -0.082 0.000 1.017 99 Y HN 0.206 nan 8.280 nan 0.000 0.505 100 Y N 0.523 120.835 120.300 0.021 0.000 2.365 100 Y HA -0.245 4.305 4.550 -0.000 0.000 0.287 100 Y C 2.164 178.036 175.900 -0.046 0.000 1.162 100 Y CA 1.573 59.639 58.100 -0.056 0.000 1.260 100 Y CB -0.157 38.304 38.460 0.002 0.000 0.976 100 Y HN 0.088 nan 8.280 nan 0.000 0.548 101 R N -1.038 119.520 120.500 0.096 0.000 2.189 101 R HA 0.036 4.376 4.340 -0.000 0.000 0.203 101 R C 2.177 178.498 176.300 0.035 0.000 1.012 101 R CA 0.436 56.581 56.100 0.075 0.000 1.015 101 R CB -0.153 30.189 30.300 0.071 0.000 0.938 101 R HN 0.219 nan 8.270 nan 0.000 0.472 102 R N 1.219 121.711 120.500 -0.012 0.000 2.096 102 R HA -0.068 4.272 4.340 -0.000 0.000 0.235 102 R C 1.986 178.263 176.300 -0.038 0.000 1.127 102 R CA 1.503 57.585 56.100 -0.030 0.000 0.968 102 R CB -0.059 30.189 30.300 -0.086 0.000 0.861 102 R HN 0.198 nan 8.270 nan 0.000 0.440 103 A N 0.463 123.225 122.820 -0.098 0.000 1.878 103 A HA 0.095 4.415 4.320 -0.000 0.000 0.213 103 A C 2.313 179.903 177.584 0.011 0.000 1.192 103 A CA 0.993 52.966 52.037 -0.106 0.000 0.619 103 A CB -0.742 18.008 19.000 -0.417 0.000 0.837 103 A HN 0.445 nan 8.150 nan 0.000 0.446 104 A N -0.019 122.830 122.820 0.048 0.000 2.104 104 A HA -0.162 4.158 4.320 -0.000 0.000 0.223 104 A C 2.326 179.919 177.584 0.016 0.000 1.164 104 A CA 2.335 54.429 52.037 0.095 0.000 0.659 104 A CB -0.742 18.335 19.000 0.128 0.000 0.808 104 A HN 0.473 nan 8.150 nan 0.000 0.465 105 S N 0.105 115.811 115.700 0.011 0.000 2.362 105 S HA -0.092 4.378 4.470 -0.000 0.000 0.221 105 S C 1.819 176.385 174.600 -0.058 0.000 1.032 105 S CA 0.846 59.034 58.200 -0.019 0.000 0.973 105 S CB -0.393 62.835 63.200 0.046 0.000 0.849 105 S HN 0.692 nan 8.310 nan 0.000 0.465 106 N N 1.110 119.796 118.700 -0.022 0.000 2.364 106 N HA 0.059 4.799 4.740 -0.000 0.000 0.183 106 N C 1.498 176.992 175.510 -0.028 0.000 1.022 106 N CA 0.871 53.906 53.050 -0.026 0.000 0.883 106 N CB -0.182 38.298 38.487 -0.013 0.000 0.965 106 N HN 0.411 nan 8.380 nan 0.000 0.438 107 M N -0.083 119.507 119.600 -0.017 0.000 2.334 107 M HA 0.049 4.529 4.480 -0.000 0.000 0.266 107 M C 2.170 178.409 176.300 -0.101 0.000 1.082 107 M CA 0.420 55.709 55.300 -0.019 0.000 1.141 107 M CB 0.030 32.643 32.600 0.022 0.000 1.380 107 M HN 0.059 nan 8.290 nan 0.000 0.440 108 A N 0.801 123.504 122.820 -0.196 0.000 1.933 108 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 108 A C 1.978 179.439 177.584 -0.205 0.000 1.175 108 A CA 1.333 53.145 52.037 -0.374 0.000 0.628 108 A CB -0.893 17.502 19.000 -1.009 0.000 0.814 108 A HN 0.478 nan 8.150 nan 0.000 0.444 109 L N -1.960 119.175 121.223 -0.146 0.000 2.201 109 L HA 0.069 4.409 4.340 -0.000 0.000 0.212 109 L C 2.095 178.961 176.870 -0.007 0.000 1.105 109 L CA 0.895 55.707 54.840 -0.046 0.000 0.775 109 L CB -0.511 41.516 42.059 -0.053 0.000 0.913 109 L HN 0.615 nan 8.230 nan 0.000 0.440 110 G N -1.326 107.469 108.800 -0.008 0.000 2.259 110 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.217 110 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.217 110 G C 0.384 175.330 174.900 0.077 0.000 1.001 110 G CA -0.402 44.722 45.100 0.041 0.000 0.627 110 G HN 0.064 nan 8.290 nan 0.000 0.501 111 K N 0.835 121.236 120.400 0.002 0.000 2.336 111 K HA 0.493 4.813 4.320 -0.000 0.000 0.262 111 K C 1.203 177.820 176.600 0.028 0.000 0.992 111 K CA 0.134 56.364 56.287 -0.094 0.000 0.927 111 K CB -0.002 32.339 32.500 -0.264 0.000 0.956 111 K HN 0.334 nan 8.250 nan 0.000 0.495 112 F N 0.234 120.192 119.950 0.014 0.000 2.558 112 F HA 0.392 4.919 4.527 -0.000 0.000 0.172 112 F C 1.926 177.745 175.800 0.031 0.000 0.933 112 F CA -0.631 57.380 58.000 0.018 0.000 0.974 112 F CB -1.004 38.002 39.000 0.011 0.000 2.263 112 F HN 0.481 nan 8.300 nan 0.000 0.690 113 R N 0.317 120.980 120.500 0.273 0.000 3.574 113 R HA -0.377 3.963 4.340 -0.000 0.000 0.550 113 R C 1.783 178.136 176.300 0.089 0.000 0.241 113 R CA 1.861 58.040 56.100 0.132 0.000 1.680 113 R CB -1.884 28.425 30.300 0.015 0.000 0.852 113 R HN 0.718 nan 8.270 nan 0.000 0.613 114 A N 0.527 123.363 122.820 0.025 0.000 2.067 114 A HA -0.254 4.066 4.320 -0.000 0.000 0.224 114 A C 2.313 179.928 177.584 0.051 0.000 1.172 114 A CA 3.035 55.087 52.037 0.026 0.000 0.662 114 A CB -0.866 18.127 19.000 -0.011 0.000 0.814 114 A HN 0.738 nan 8.150 nan 0.000 0.468 115 A N -0.820 122.047 122.820 0.078 0.000 1.858 115 A HA 0.012 4.332 4.320 -0.000 0.000 0.216 115 A C 2.174 179.929 177.584 0.284 0.000 1.190 115 A CA 1.833 53.957 52.037 0.145 0.000 0.617 115 A CB -0.586 18.504 19.000 0.150 0.000 0.827 115 A HN 0.844 nan 8.150 nan 0.000 0.443 116 L N -0.412 120.963 121.223 0.255 0.000 2.049 116 L HA 0.014 4.354 4.340 -0.000 0.000 0.203 116 L C 2.391 179.436 176.870 0.293 0.000 1.074 116 L CA 1.721 56.742 54.840 0.302 0.000 0.749 116 L CB -0.734 41.422 42.059 0.161 0.000 0.907 116 L HN 0.339 nan 8.230 nan 0.000 0.439 117 R N -0.037 120.573 120.500 0.183 0.000 2.153 117 R HA -0.248 4.092 4.340 -0.000 0.000 0.252 117 R C 1.674 178.017 176.300 0.073 0.000 1.158 117 R CA 1.998 58.173 56.100 0.126 0.000 0.975 117 R CB -0.794 29.555 30.300 0.081 0.000 0.871 117 R HN 0.498 nan 8.270 nan 0.000 0.450 118 D N -1.040 119.385 120.400 0.041 0.000 2.234 118 D HA -0.083 4.557 4.640 -0.000 0.000 0.205 118 D C 1.271 177.426 176.300 -0.241 0.000 0.962 118 D CA 0.845 54.803 54.000 -0.070 0.000 0.855 118 D CB -0.019 40.733 40.800 -0.080 0.000 0.951 118 D HN 0.241 nan 8.370 nan 0.000 0.500 119 Y N 1.007 121.268 120.300 -0.066 0.000 2.395 119 Y HA -0.033 4.517 4.550 -0.000 0.000 0.293 119 Y C 2.276 178.029 175.900 -0.245 0.000 1.123 119 Y CA 0.824 58.850 58.100 -0.123 0.000 1.227 119 Y CB -0.028 38.501 38.460 0.114 0.000 1.012 119 Y HN 0.021 nan 8.280 nan 0.000 0.552 120 E N -0.163 119.984 120.200 -0.089 0.000 2.107 120 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 120 E C 0.494 176.887 176.600 -0.344 0.000 0.982 120 E CA 1.484 57.600 56.400 -0.473 0.000 0.809 120 E CB -0.140 29.471 29.700 -0.148 0.000 0.756 120 E HN 0.227 nan 8.360 nan 0.000 0.459 121 T N 0.793 115.191 114.554 -0.260 0.000 3.327 121 T HA 0.231 4.581 4.350 -0.000 0.000 0.241 121 T C 0.347 174.725 174.700 -0.536 0.000 0.907 121 T CA -0.105 61.821 62.100 -0.290 0.000 0.931 121 T CB 0.691 69.458 68.868 -0.170 0.000 1.112 121 T HN -0.001 nan 8.240 nan 0.000 0.589 122 V N -0.497 119.130 119.914 -0.479 0.000 3.443 122 V HA 0.188 4.308 4.120 -0.000 0.000 0.277 122 V C 1.331 177.268 176.094 -0.262 0.000 1.648 122 V CA 0.005 61.996 62.300 -0.514 0.000 1.058 122 V CB 1.217 32.673 31.823 -0.612 0.000 0.877 122 V HN 0.405 nan 8.190 nan 0.000 0.417 123 V N -0.066 119.695 119.914 -0.254 0.000 3.661 123 V HA 0.214 4.334 4.120 -0.000 0.000 0.271 123 V C 1.665 177.671 176.094 -0.147 0.000 1.315 123 V CA 1.001 63.195 62.300 -0.178 0.000 1.072 123 V CB 0.284 31.958 31.823 -0.250 0.000 0.830 123 V HN 0.479 nan 8.190 nan 0.000 0.443 124 K N -0.429 119.873 120.400 -0.164 0.000 2.444 124 K HA 0.200 4.520 4.320 -0.000 0.000 0.193 124 K C 1.071 177.625 176.600 -0.078 0.000 1.024 124 K CA 0.559 56.778 56.287 -0.113 0.000 1.077 124 K CB 1.013 33.443 32.500 -0.116 0.000 0.833 124 K HN 0.351 nan 8.250 nan 0.000 0.517 125 V N 0.726 120.593 119.914 -0.079 0.000 3.346 125 V HA 0.169 4.289 4.120 -0.000 0.000 0.309 125 V C -1.005 175.079 176.094 -0.015 0.000 1.457 125 V CA 0.040 62.317 62.300 -0.039 0.000 1.069 125 V CB 0.049 31.849 31.823 -0.038 0.000 0.944 125 V HN 0.077 nan 8.190 nan 0.000 0.449 126 K N 2.255 122.642 120.400 -0.023 0.000 2.690 126 K HA 0.336 4.656 4.320 -0.000 0.000 0.264 126 K C -2.593 174.007 176.600 -0.001 0.000 1.040 126 K CA -1.297 54.992 56.287 0.003 0.000 0.946 126 K CB 2.452 34.964 32.500 0.021 0.000 1.268 126 K HN -0.004 nan 8.250 nan 0.000 0.473 127 P HA -0.203 nan 4.420 nan 0.000 0.296 127 P C 0.108 177.441 177.300 0.055 0.000 1.407 127 P CA 0.385 63.502 63.100 0.029 0.000 0.793 127 P CB 0.164 31.893 31.700 0.048 0.000 1.675 128 H N 0.667 119.735 119.070 -0.003 0.000 4.160 128 H HA 0.090 4.646 4.556 -0.000 0.000 0.191 128 H C -0.659 174.673 175.328 0.007 0.000 1.546 128 H CA 0.206 56.256 56.048 0.002 0.000 1.415 128 H CB -1.966 27.797 29.762 0.002 0.000 1.703 128 H HN 0.104 nan 8.280 nan 0.000 0.771 129 D N 2.099 122.581 120.400 0.135 0.000 2.317 129 D HA 0.067 4.707 4.640 -0.000 0.000 0.252 129 D C -0.101 176.268 176.300 0.115 0.000 1.174 129 D CA -0.330 53.736 54.000 0.110 0.000 0.866 129 D CB 0.804 41.645 40.800 0.067 0.000 1.127 129 D HN 0.333 nan 8.370 nan 0.000 0.467 130 K N 2.674 123.142 120.400 0.113 0.000 2.489 130 K HA 0.029 4.349 4.320 -0.000 0.000 0.278 130 K C 0.586 177.224 176.600 0.063 0.000 1.000 130 K CA 0.217 56.559 56.287 0.091 0.000 1.012 130 K CB 0.575 33.111 32.500 0.060 0.000 0.903 130 K HN 0.586 nan 8.250 nan 0.000 0.485 131 D N 1.753 122.188 120.400 0.058 0.000 3.031 131 D HA -0.347 4.293 4.640 -0.000 0.000 0.180 131 D C 1.240 177.597 176.300 0.096 0.000 1.571 131 D CA 2.029 56.062 54.000 0.055 0.000 2.057 131 D CB -1.060 39.758 40.800 0.029 0.000 1.356 131 D HN 0.601 nan 8.370 nan 0.000 0.442 132 A N 0.034 122.918 122.820 0.106 0.000 1.927 132 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 132 A C 2.060 179.755 177.584 0.186 0.000 1.185 132 A CA 2.541 54.689 52.037 0.185 0.000 0.639 132 A CB -0.498 18.580 19.000 0.130 0.000 0.820 132 A HN 0.572 nan 8.150 nan 0.000 0.451 133 K N -1.808 118.654 120.400 0.104 0.000 2.166 133 K HA 0.101 4.421 4.320 -0.000 0.000 0.201 133 K C 2.043 178.719 176.600 0.126 0.000 1.052 133 K CA 0.728 57.078 56.287 0.105 0.000 0.969 133 K CB -0.256 32.259 32.500 0.024 0.000 0.761 133 K HN 0.300 nan 8.250 nan 0.000 0.459 134 M N 2.191 121.837 119.600 0.076 0.000 2.124 134 M HA -0.270 4.210 4.480 -0.000 0.000 0.253 134 M C 1.650 177.959 176.300 0.015 0.000 1.077 134 M CA 1.906 57.229 55.300 0.039 0.000 1.085 134 M CB -0.413 32.207 32.600 0.033 0.000 1.320 134 M HN 0.057 nan 8.290 nan 0.000 0.404 135 K N -2.130 118.298 120.400 0.048 0.000 2.167 135 K HA -0.164 4.156 4.320 -0.000 0.000 0.203 135 K C 1.919 178.412 176.600 -0.178 0.000 1.052 135 K CA 1.004 57.262 56.287 -0.048 0.000 0.956 135 K CB -0.366 32.166 32.500 0.053 0.000 0.735 135 K HN 0.323 nan 8.250 nan 0.000 0.451 136 Y N 2.869 123.071 120.300 -0.164 0.000 2.114 136 Y HA -0.327 4.223 4.550 -0.000 0.000 0.282 136 Y C 2.023 177.824 175.900 -0.165 0.000 1.165 136 Y CA 1.761 59.759 58.100 -0.170 0.000 1.148 136 Y CB -0.361 38.074 38.460 -0.043 0.000 0.972 136 Y HN 0.106 nan 8.280 nan 0.000 0.504 137 Q N -0.232 119.446 119.800 -0.203 0.000 1.985 137 Q HA -0.300 4.040 4.340 -0.000 0.000 0.207 137 Q C 2.171 178.002 176.000 -0.282 0.000 0.996 137 Q CA 1.921 57.566 55.803 -0.264 0.000 0.851 137 Q CB -0.521 28.150 28.738 -0.112 0.000 0.921 137 Q HN 0.468 nan 8.270 nan 0.000 0.418 138 E N 0.716 120.789 120.200 -0.213 0.000 2.164 138 E HA -0.265 4.085 4.350 -0.000 0.000 0.206 138 E C 1.959 178.405 176.600 -0.257 0.000 1.032 138 E CA 1.701 57.979 56.400 -0.204 0.000 0.832 138 E CB -0.652 28.944 29.700 -0.172 0.000 0.742 138 E HN 0.437 nan 8.360 nan 0.000 0.460 139 C N 0.206 119.292 119.300 -0.355 0.000 2.436 139 C HA -0.107 4.353 4.460 -0.000 0.000 0.277 139 C C 2.520 177.342 174.990 -0.280 0.000 1.241 139 C CA 1.211 60.016 59.018 -0.354 0.000 1.721 139 C CB -1.485 25.959 27.740 -0.493 0.000 2.043 139 C HN 0.532 nan 8.230 nan 0.000 0.472 140 N N 0.832 119.311 118.700 -0.368 0.000 2.036 140 N HA -0.150 4.590 4.740 -0.000 0.000 0.195 140 N C 1.507 176.875 175.510 -0.238 0.000 1.037 140 N CA 1.483 54.346 53.050 -0.312 0.000 0.855 140 N CB -0.548 37.700 38.487 -0.398 0.000 1.033 140 N HN 0.630 nan 8.380 nan 0.000 0.423 141 K N 0.404 120.663 120.400 -0.236 0.000 2.588 141 K HA -0.105 4.215 4.320 -0.000 0.000 0.196 141 K C 1.378 177.847 176.600 -0.219 0.000 1.044 141 K CA 0.662 56.820 56.287 -0.216 0.000 0.934 141 K CB -0.004 32.383 32.500 -0.188 0.000 0.773 141 K HN 0.401 nan 8.250 nan 0.000 0.489 142 I N -2.126 118.324 120.570 -0.199 0.000 4.033 142 I HA -0.109 4.061 4.170 -0.000 0.000 0.296 142 I C 1.774 177.787 176.117 -0.173 0.000 1.210 142 I CA 0.027 61.223 61.300 -0.173 0.000 1.341 142 I CB 0.041 37.963 38.000 -0.131 0.000 1.369 142 I HN -0.217 nan 8.210 nan 0.000 0.453 143 V N 2.061 121.885 119.914 -0.151 0.000 2.370 143 V HA -0.310 3.810 4.120 -0.000 0.000 0.252 143 V C 2.105 178.050 176.094 -0.248 0.000 1.068 143 V CA 2.061 64.268 62.300 -0.155 0.000 1.061 143 V CB -0.945 30.840 31.823 -0.063 0.000 0.656 143 V HN 0.403 nan 8.190 nan 0.000 0.455 144 K N -0.711 119.572 120.400 -0.195 0.000 2.459 144 K HA 0.003 4.323 4.320 -0.000 0.000 0.193 144 K C 2.045 178.571 176.600 -0.123 0.000 1.030 144 K CA 0.249 56.450 56.287 -0.142 0.000 1.026 144 K CB 0.019 32.453 32.500 -0.110 0.000 0.809 144 K HN 0.426 nan 8.250 nan 0.000 0.504 145 Q N 0.621 120.297 119.800 -0.207 0.000 2.302 145 Q HA 0.028 4.368 4.340 -0.000 0.000 0.202 145 Q C 0.878 176.837 176.000 -0.067 0.000 0.936 145 Q CA 0.831 56.550 55.803 -0.141 0.000 0.886 145 Q CB 0.359 28.981 28.738 -0.193 0.000 0.986 145 Q HN 0.188 nan 8.270 nan 0.000 0.487 146 K N 0.165 120.441 120.400 -0.206 0.000 2.630 146 K HA 0.129 4.449 4.320 -0.000 0.000 0.204 146 K C 0.916 177.336 176.600 -0.300 0.000 1.024 146 K CA 0.376 56.501 56.287 -0.269 0.000 1.157 146 K CB 0.338 32.532 32.500 -0.509 0.000 0.899 146 K HN 0.069 nan 8.250 nan 0.000 0.501 147 A N -0.696 122.039 122.820 -0.141 0.000 1.827 147 A HA 0.081 4.401 4.320 -0.000 0.000 0.196 147 A C 1.184 178.800 177.584 0.052 0.000 1.833 147 A CA -0.382 51.615 52.037 -0.067 0.000 1.363 147 A CB -0.354 18.585 19.000 -0.102 0.000 1.439 147 A HN 0.209 nan 8.150 nan 0.000 0.391 148 F N 1.915 121.808 119.950 -0.096 0.000 2.225 148 F HA -0.109 4.418 4.527 -0.000 0.000 0.302 148 F C 0.530 176.309 175.800 -0.035 0.000 1.068 148 F CA 1.818 59.782 58.000 -0.059 0.000 1.327 148 F CB 0.126 39.092 39.000 -0.058 0.000 1.043 148 F HN 0.269 nan 8.300 nan 0.000 0.506 149 E N 0.032 120.305 120.200 0.122 0.000 2.267 149 E HA 0.270 4.620 4.350 -0.000 0.000 0.241 149 E C -0.581 176.040 176.600 0.035 0.000 0.950 149 E CA -0.429 56.011 56.400 0.066 0.000 0.776 149 E CB 0.679 30.435 29.700 0.094 0.000 1.207 149 E HN -0.106 nan 8.360 nan 0.000 0.436 150 R N 2.322 122.826 120.500 0.006 0.000 2.435 150 R HA 0.608 4.948 4.340 -0.000 0.000 0.308 150 R C -0.621 175.681 176.300 0.004 0.000 0.975 150 R CA -0.101 56.005 56.100 0.009 0.000 0.867 150 R CB 0.361 30.662 30.300 0.001 0.000 1.171 150 R HN 0.489 nan 8.270 nan 0.000 0.470 159 R N 0.445 120.970 120.500 0.041 0.000 3.628 159 R HA -0.382 3.958 4.340 -0.000 0.000 0.518 159 R C 1.688 178.006 176.300 0.030 0.000 0.248 159 R CA 5.010 61.130 56.100 0.034 0.000 1.374 159 R CB -2.691 27.621 30.300 0.020 0.000 0.792 159 R HN 2.064 nan 8.270 nan 0.000 0.538 160 S N -3.997 111.714 115.700 0.018 0.000 1.991 160 S HA -0.284 4.186 4.470 -0.000 0.000 0.246 160 S C 1.791 176.390 174.600 -0.001 0.000 0.933 160 S CA 3.017 61.226 58.200 0.014 0.000 1.899 160 S CB -1.807 61.408 63.200 0.026 0.000 1.228 160 S HN 1.990 nan 8.310 nan 0.000 0.496 161 V N 2.464 122.380 119.914 0.003 0.000 2.546 161 V HA -0.119 4.001 4.120 -0.000 0.000 0.254 161 V C 2.005 178.081 176.094 -0.031 0.000 1.076 161 V CA 2.039 64.332 62.300 -0.013 0.000 1.087 161 V CB -0.656 31.161 31.823 -0.010 0.000 0.674 161 V HN 0.645 nan 8.190 nan 0.000 0.470 162 V N 0.586 120.487 119.914 -0.021 0.000 3.602 162 V HA -0.004 4.116 4.120 -0.000 0.000 0.289 162 V C 1.123 177.197 176.094 -0.034 0.000 1.265 162 V CA 1.142 63.426 62.300 -0.026 0.000 1.202 162 V CB -0.700 31.115 31.823 -0.013 0.000 1.012 162 V HN 0.619 nan 8.190 nan 0.000 0.431 163 D N 0.540 120.912 120.400 -0.047 0.000 2.825 163 D HA 0.120 4.760 4.640 -0.000 0.000 0.249 163 D C 1.291 177.539 176.300 -0.086 0.000 1.286 163 D CA 0.769 54.735 54.000 -0.057 0.000 1.168 163 D CB 0.204 40.973 40.800 -0.051 0.000 0.926 163 D HN 0.310 nan 8.370 nan 0.000 0.216 164 S N 0.955 116.577 115.700 -0.128 0.000 2.536 164 S HA -0.094 4.376 4.470 -0.000 0.000 0.290 164 S C 1.643 176.152 174.600 -0.150 0.000 1.302 164 S CA -0.459 57.640 58.200 -0.168 0.000 1.037 164 S CB 0.065 63.085 63.200 -0.299 0.000 0.804 164 S HN 0.346 nan 8.310 nan 0.000 0.506 165 L N 1.919 123.065 121.223 -0.127 0.000 1.952 165 L HA -0.151 4.189 4.340 -0.000 0.000 0.236 165 L C 1.923 178.729 176.870 -0.107 0.000 1.092 165 L CA 2.488 57.268 54.840 -0.099 0.000 0.817 165 L CB -1.932 40.077 42.059 -0.083 0.000 0.907 165 L HN 1.110 nan 8.230 nan 0.000 0.438 166 D N -3.758 116.572 120.400 -0.117 0.000 5.168 166 D HA -0.166 4.474 4.640 -0.000 0.000 0.134 166 D C 1.114 177.370 176.300 -0.073 0.000 0.594 166 D CA 0.506 54.445 54.000 -0.102 0.000 0.957 166 D CB -1.127 39.620 40.800 -0.087 0.000 0.746 166 D HN 0.072 nan 8.370 nan 0.000 0.589 167 I N 2.429 122.959 120.570 -0.065 0.000 3.010 167 I HA -0.117 4.053 4.170 -0.000 0.000 0.271 167 I C 1.169 177.253 176.117 -0.055 0.000 1.293 167 I CA 1.411 62.675 61.300 -0.060 0.000 1.452 167 I CB -1.127 36.837 38.000 -0.059 0.000 1.082 167 I HN 0.207 nan 8.210 nan 0.000 0.484 168 E N 0.233 120.399 120.200 -0.055 0.000 3.136 168 E HA 0.059 4.409 4.350 -0.000 0.000 0.271 168 E C 1.269 177.844 176.600 -0.043 0.000 1.454 168 E CA -0.105 56.267 56.400 -0.048 0.000 1.194 168 E CB -0.124 29.547 29.700 -0.049 0.000 1.175 168 E HN -0.084 nan 8.360 nan 0.000 0.726 169 S N -0.078 115.600 115.700 -0.036 0.000 2.672 169 S HA -0.070 4.400 4.470 -0.000 0.000 0.250 169 S C 0.598 175.185 174.600 -0.022 0.000 0.975 169 S CA 0.542 58.726 58.200 -0.027 0.000 0.971 169 S CB -0.235 62.952 63.200 -0.022 0.000 0.765 169 S HN 0.202 nan 8.310 nan 0.000 0.543 170 M N 2.752 122.336 119.600 -0.028 0.000 3.028 170 M HA 0.130 4.610 4.480 -0.000 0.000 0.296 170 M C 1.051 177.345 176.300 -0.009 0.000 1.314 170 M CA -0.029 55.265 55.300 -0.011 0.000 1.383 170 M CB -0.583 31.999 32.600 -0.030 0.000 1.128 170 M HN 0.309 nan 8.290 nan 0.000 0.544 171 T N -0.750 113.794 114.554 -0.016 0.000 4.022 171 T HA 0.575 4.925 4.350 -0.000 0.000 0.347 171 T C 0.496 175.129 174.700 -0.113 0.000 1.227 171 T CA -0.445 61.624 62.100 -0.052 0.000 0.898 171 T CB 1.129 69.975 68.868 -0.037 0.000 2.033 171 T HN 0.546 nan 8.240 nan 0.000 0.525 172 I N 0.587 121.087 120.570 -0.116 0.000 2.582 172 I HA 0.478 4.648 4.170 -0.000 0.000 0.292 172 I C -0.993 175.126 176.117 0.005 0.000 1.066 172 I CA -0.980 60.220 61.300 -0.168 0.000 1.053 172 I CB 2.130 40.029 38.000 -0.168 0.000 1.241 172 I HN 0.615 nan 8.210 nan 0.000 0.421 173 E N 4.752 125.013 120.200 0.102 0.000 2.409 173 E HA 0.078 4.428 4.350 -0.000 0.000 0.257 173 E C -0.637 176.035 176.600 0.120 0.000 1.150 173 E CA 0.237 56.716 56.400 0.131 0.000 0.942 173 E CB 0.412 30.224 29.700 0.187 0.000 0.979 173 E HN 0.373 nan 8.360 nan 0.000 0.447 174 D N 1.517 121.970 120.400 0.087 0.000 2.895 174 D HA 0.101 4.741 4.640 -0.000 0.000 0.258 174 D C -0.215 176.126 176.300 0.070 0.000 1.311 174 D CA 0.236 54.271 54.000 0.059 0.000 0.843 174 D CB 0.319 41.139 40.800 0.033 0.000 1.055 174 D HN 0.398 nan 8.370 nan 0.000 0.486 175 E N -0.967 119.302 120.200 0.115 0.000 2.608 175 E HA -0.026 4.324 4.350 -0.000 0.000 0.204 175 E C 0.058 176.769 176.600 0.184 0.000 0.884 175 E CA -0.369 56.106 56.400 0.126 0.000 1.533 175 E CB 0.357 30.136 29.700 0.132 0.000 1.559 175 E HN 0.097 nan 8.360 nan 0.000 0.864 176 Y N 3.066 123.431 120.300 0.107 0.000 2.644 176 Y HA 0.117 4.667 4.550 -0.000 0.000 0.354 176 Y C 0.839 176.767 175.900 0.046 0.000 1.166 176 Y CA -0.654 57.531 58.100 0.141 0.000 1.591 176 Y CB -0.003 38.568 38.460 0.185 0.000 1.346 176 Y HN -0.005 nan 8.280 nan 0.000 0.497 177 S N 2.487 118.017 115.700 -0.282 0.000 2.650 177 S HA 0.223 4.693 4.470 -0.000 0.000 0.219 177 S C 1.109 175.188 174.600 -0.869 0.000 0.960 177 S CA -0.083 57.867 58.200 -0.417 0.000 0.925 177 S CB -0.492 62.643 63.200 -0.108 0.000 0.775 177 S HN 0.788 nan 8.310 nan 0.000 0.525 178 G N 1.946 109.771 108.800 -1.625 0.000 2.631 178 G HA2 0.397 4.357 3.960 -0.000 0.000 0.271 178 G HA3 0.397 4.357 3.960 -0.000 0.000 0.271 178 G C -2.873 171.305 174.900 -1.202 0.000 1.302 178 G CA -1.568 42.290 45.100 -2.070 0.000 1.002 178 G HN 0.239 nan 8.290 nan 0.000 0.519 179 P HA 0.126 nan 4.420 nan 0.000 0.261 179 P C -0.521 176.810 177.300 0.052 0.000 1.203 179 P CA 0.447 63.405 63.100 -0.236 0.000 0.767 179 P CB 0.361 31.912 31.700 -0.249 0.000 0.785 180 K N 3.688 124.062 120.400 -0.044 0.000 2.244 180 K HA 0.170 4.490 4.320 -0.000 0.000 0.263 180 K C -0.019 176.473 176.600 -0.181 0.000 1.103 180 K CA -1.018 55.225 56.287 -0.073 0.000 0.966 180 K CB 0.244 32.667 32.500 -0.127 0.000 1.429 180 K HN 0.348 nan 8.250 nan 0.000 0.434 181 L N 4.083 125.070 121.223 -0.394 0.000 3.131 181 L HA -0.134 4.206 4.340 -0.000 0.000 0.307 181 L C -0.273 176.347 176.870 -0.416 0.000 1.045 181 L CA 0.930 55.305 54.840 -0.775 0.000 1.162 181 L CB -0.951 40.678 42.059 -0.717 0.000 1.596 181 L HN 0.458 nan 8.230 nan 0.000 0.411 182 E N 4.552 124.554 120.200 -0.330 0.000 2.614 182 E HA -0.081 4.269 4.350 -0.000 0.000 0.245 182 E C 0.466 176.951 176.600 -0.191 0.000 1.039 182 E CA 0.766 57.044 56.400 -0.203 0.000 0.948 182 E CB -0.016 29.594 29.700 -0.149 0.000 0.937 182 E HN 0.670 nan 8.360 nan 0.000 0.498 183 D N 2.237 122.545 120.400 -0.153 0.000 3.070 183 D HA -0.205 4.435 4.640 -0.000 0.000 0.220 183 D C 0.733 176.946 176.300 -0.144 0.000 1.176 183 D CA 1.304 55.226 54.000 -0.129 0.000 0.924 183 D CB -1.402 39.334 40.800 -0.107 0.000 1.124 183 D HN 0.877 nan 8.370 nan 0.000 0.411 184 G N -0.267 108.419 108.800 -0.191 0.000 2.273 184 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.280 184 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.280 184 G C 0.824 175.617 174.900 -0.178 0.000 1.047 184 G CA 1.208 46.193 45.100 -0.193 0.000 0.869 184 G HN 0.571 nan 8.290 nan 0.000 0.502 185 K N -1.066 119.213 120.400 -0.202 0.000 2.443 185 K HA 0.536 4.856 4.320 -0.000 0.000 0.200 185 K C 0.636 177.128 176.600 -0.179 0.000 1.278 185 K CA 0.772 56.963 56.287 -0.161 0.000 0.925 185 K CB 0.910 33.333 32.500 -0.128 0.000 1.225 185 K HN 1.163 nan 8.250 nan 0.000 0.514 186 V N 0.947 120.714 119.914 -0.246 0.000 3.090 186 V HA -0.115 4.005 4.120 -0.000 0.000 0.448 186 V C -1.040 174.976 176.094 -0.130 0.000 0.682 186 V CA 0.414 62.598 62.300 -0.193 0.000 1.983 186 V CB -0.844 30.915 31.823 -0.107 0.000 2.463 186 V HN 0.388 nan 8.190 nan 0.000 0.491 187 T N 5.414 119.940 114.554 -0.048 0.000 2.930 187 T HA 0.672 5.022 4.350 -0.000 0.000 0.290 187 T C 1.249 175.918 174.700 -0.052 0.000 1.052 187 T CA -0.275 61.791 62.100 -0.057 0.000 1.017 187 T CB 2.017 70.864 68.868 -0.035 0.000 1.137 187 T HN 0.523 nan 8.240 nan 0.000 0.511 188 I N 0.575 121.109 120.570 -0.060 0.000 2.454 188 I HA -0.153 4.017 4.170 -0.000 0.000 0.254 188 I C 2.265 178.368 176.117 -0.022 0.000 1.156 188 I CA 0.992 62.275 61.300 -0.027 0.000 1.433 188 I CB -0.320 37.707 38.000 0.044 0.000 1.082 188 I HN 0.533 nan 8.210 nan 0.000 0.432 189 S N 0.858 116.553 115.700 -0.008 0.000 2.387 189 S HA -0.115 4.355 4.470 -0.000 0.000 0.226 189 S C 1.815 176.413 174.600 -0.004 0.000 1.026 189 S CA 0.888 59.084 58.200 -0.006 0.000 0.972 189 S CB -0.394 62.804 63.200 -0.003 0.000 0.814 189 S HN 0.428 nan 8.310 nan 0.000 0.477 190 F N 2.635 122.495 119.950 -0.151 0.000 2.113 190 F HA -0.011 4.516 4.527 -0.000 0.000 0.297 190 F C 2.112 177.787 175.800 -0.208 0.000 1.103 190 F CA 1.167 59.059 58.000 -0.180 0.000 1.248 190 F CB -0.397 38.493 39.000 -0.183 0.000 0.999 190 F HN 0.032 nan 8.300 nan 0.000 0.475 191 M N 0.655 120.057 119.600 -0.330 0.000 2.080 191 M HA -0.221 4.259 4.480 -0.000 0.000 0.260 191 M C 2.100 178.190 176.300 -0.350 0.000 1.068 191 M CA 1.740 56.719 55.300 -0.536 0.000 1.109 191 M CB -1.240 30.951 32.600 -0.682 0.000 1.342 191 M HN 0.166 nan 8.290 nan 0.000 0.405 192 K N -0.382 119.912 120.400 -0.178 0.000 2.097 192 K HA -0.168 4.152 4.320 -0.000 0.000 0.206 192 K C 2.010 178.556 176.600 -0.091 0.000 1.049 192 K CA 1.145 57.389 56.287 -0.072 0.000 0.933 192 K CB -0.139 32.350 32.500 -0.019 0.000 0.717 192 K HN 0.424 nan 8.250 nan 0.000 0.442 193 E N 0.804 120.907 120.200 -0.162 0.000 2.072 193 E HA -0.161 4.189 4.350 -0.000 0.000 0.190 193 E C 1.994 178.454 176.600 -0.232 0.000 0.982 193 E CA 0.470 56.772 56.400 -0.163 0.000 0.803 193 E CB 0.066 29.651 29.700 -0.191 0.000 0.755 193 E HN 0.069 nan 8.360 nan 0.000 0.453 194 L N 0.706 121.641 121.223 -0.480 0.000 2.042 194 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 194 L C 2.104 178.762 176.870 -0.354 0.000 1.076 194 L CA 1.788 56.256 54.840 -0.621 0.000 0.749 194 L CB -0.324 41.143 42.059 -0.987 0.000 0.893 194 L HN 0.215 nan 8.230 nan 0.000 0.432 195 M N -1.630 117.899 119.600 -0.118 0.000 2.117 195 M HA -0.189 4.291 4.480 -0.000 0.000 0.262 195 M C 2.280 178.715 176.300 0.225 0.000 1.065 195 M CA 1.431 56.843 55.300 0.188 0.000 1.114 195 M CB -0.558 32.169 32.600 0.211 0.000 1.361 195 M HN 0.314 nan 8.290 nan 0.000 0.408 196 Q N -0.112 119.772 119.800 0.140 0.000 2.084 196 Q HA -0.187 4.153 4.340 -0.000 0.000 0.202 196 Q C 1.772 177.916 176.000 0.240 0.000 0.978 196 Q CA 1.579 57.488 55.803 0.176 0.000 0.844 196 Q CB -0.525 28.296 28.738 0.137 0.000 0.898 196 Q HN 0.653 nan 8.270 nan 0.000 0.426 197 W N 0.110 121.376 121.300 -0.056 0.000 2.304 197 W HA -0.314 4.346 4.660 -0.000 0.000 0.328 197 W C 1.941 178.496 176.519 0.061 0.000 1.242 197 W CA 1.456 58.767 57.345 -0.056 0.000 1.243 197 W CB -0.754 28.574 29.460 -0.220 0.000 1.170 197 W HN 0.263 nan 8.180 nan 0.000 0.460 198 Y N 0.244 120.614 120.300 0.116 0.000 2.241 198 Y HA -0.330 4.220 4.550 -0.000 0.000 0.286 198 Y C 2.645 178.485 175.900 -0.100 0.000 1.166 198 Y CA 1.450 59.450 58.100 -0.167 0.000 1.203 198 Y CB -0.531 37.621 38.460 -0.513 0.000 0.977 198 Y HN 0.022 nan 8.280 nan 0.000 0.529 199 K N 0.319 120.885 120.400 0.276 0.000 2.209 199 K HA -0.163 4.157 4.320 -0.000 0.000 0.204 199 K C -0.039 176.765 176.600 0.341 0.000 1.048 199 K CA 1.494 57.981 56.287 0.335 0.000 0.940 199 K CB 0.022 32.697 32.500 0.291 0.000 0.729 199 K HN 0.259 nan 8.250 nan 0.000 0.451 200 D N 0.857 121.361 120.400 0.173 0.000 2.755 200 D HA 0.061 4.701 4.640 -0.000 0.000 0.257 200 D C -0.113 176.174 176.300 -0.022 0.000 1.291 200 D CA -0.109 53.934 54.000 0.071 0.000 0.836 200 D CB 0.761 41.555 40.800 -0.011 0.000 1.059 200 D HN 0.093 nan 8.370 nan 0.000 0.486 201 Q N 0.675 120.521 119.800 0.077 0.000 1.308 201 Q HA -0.293 4.047 4.340 -0.000 0.000 0.337 201 Q C -0.620 175.290 176.000 -0.150 0.000 0.978 201 Q CA 1.184 57.005 55.803 0.030 0.000 0.716 201 Q CB -0.647 28.101 28.738 0.017 0.000 4.272 201 Q HN 0.387 nan 8.270 nan 0.000 0.541 202 K N 0.189 120.449 120.400 -0.232 0.000 7.314 202 K HA -0.204 4.116 4.320 -0.000 0.000 0.694 202 K C -0.936 175.587 176.600 -0.128 0.000 2.568 202 K CA 1.260 57.283 56.287 -0.439 0.000 1.889 202 K CB -0.853 30.795 32.500 -1.420 0.000 2.060 202 K HN 0.581 nan 8.250 nan 0.000 0.284 203 K N 2.183 122.659 120.400 0.127 0.000 2.095 203 K HA 0.592 4.912 4.320 -0.000 0.000 0.252 203 K C -0.146 176.834 176.600 0.633 0.000 0.977 203 K CA -1.194 55.305 56.287 0.355 0.000 0.900 203 K CB 1.138 33.672 32.500 0.057 0.000 1.060 203 K HN 0.332 nan 8.250 nan 0.000 0.449 204 L N 1.686 123.297 121.223 0.647 0.000 2.464 204 L HA 0.095 4.435 4.340 -0.000 0.000 0.264 204 L C 0.089 177.166 176.870 0.345 0.000 1.199 204 L CA 0.085 55.225 54.840 0.500 0.000 0.818 204 L CB 0.430 42.742 42.059 0.421 0.000 1.102 204 L HN 0.716 nan 8.230 nan 0.000 0.473 205 H N 3.610 122.685 119.070 0.009 0.000 2.764 205 H HA 0.132 4.688 4.556 -0.000 0.000 0.341 205 H C 0.891 176.243 175.328 0.039 0.000 1.072 205 H CA 0.440 56.365 56.048 -0.204 0.000 1.444 205 H CB 0.830 30.239 29.762 -0.588 0.000 1.458 205 H HN 0.686 nan 8.280 nan 0.000 0.572 206 R N 3.323 123.737 120.500 -0.144 0.000 2.140 206 R HA -0.242 4.098 4.340 -0.000 0.000 0.250 206 R C 2.157 178.619 176.300 0.269 0.000 1.150 206 R CA 1.954 58.063 56.100 0.016 0.000 0.966 206 R CB -0.117 30.224 30.300 0.069 0.000 0.869 206 R HN 0.605 nan 8.270 nan 0.000 0.445 207 K N 0.726 121.420 120.400 0.490 0.000 2.032 207 K HA -0.191 4.129 4.320 -0.000 0.000 0.209 207 K C 2.139 178.844 176.600 0.175 0.000 1.048 207 K CA 1.980 58.444 56.287 0.295 0.000 0.927 207 K CB -0.095 32.500 32.500 0.159 0.000 0.712 207 K HN 0.242 nan 8.250 nan 0.000 0.441 208 C N 0.194 119.598 119.300 0.173 0.000 2.453 208 C HA -0.019 4.441 4.460 -0.000 0.000 0.277 208 C C 2.886 177.924 174.990 0.080 0.000 1.262 208 C CA 0.743 59.817 59.018 0.092 0.000 1.718 208 C CB -0.992 26.849 27.740 0.168 0.000 2.031 208 C HN 0.659 nan 8.230 nan 0.000 0.480 209 A N -0.485 122.367 122.820 0.054 0.000 1.892 209 A HA -0.237 4.083 4.320 -0.000 0.000 0.218 209 A C 1.927 179.387 177.584 -0.207 0.000 1.188 209 A CA 1.815 53.791 52.037 -0.102 0.000 0.631 209 A CB -1.061 17.704 19.000 -0.391 0.000 0.822 209 A HN 0.685 nan 8.150 nan 0.000 0.447 210 Y N -0.122 120.070 120.300 -0.180 0.000 2.224 210 Y HA -0.238 4.312 4.550 -0.000 0.000 0.289 210 Y C 2.854 178.671 175.900 -0.139 0.000 1.146 210 Y CA 1.865 59.852 58.100 -0.189 0.000 1.182 210 Y CB -0.223 38.144 38.460 -0.154 0.000 0.983 210 Y HN 0.426 nan 8.280 nan 0.000 0.524 211 Q N -0.028 119.806 119.800 0.057 0.000 2.020 211 Q HA -0.196 4.144 4.340 -0.000 0.000 0.202 211 Q C 2.285 178.261 176.000 -0.041 0.000 0.982 211 Q CA 1.894 57.690 55.803 -0.012 0.000 0.838 211 Q CB -0.275 28.437 28.738 -0.043 0.000 0.899 211 Q HN 0.527 nan 8.270 nan 0.000 0.423 212 I N 0.706 121.260 120.570 -0.026 0.000 2.208 212 I HA -0.312 3.858 4.170 -0.000 0.000 0.245 212 I C 2.175 178.255 176.117 -0.061 0.000 1.097 212 I CA 1.145 62.441 61.300 -0.007 0.000 1.363 212 I CB -0.261 37.797 38.000 0.097 0.000 1.051 212 I HN 0.244 nan 8.210 nan 0.000 0.413 213 L N -0.263 120.897 121.223 -0.106 0.000 2.093 213 L HA -0.171 4.169 4.340 -0.000 0.000 0.208 213 L C 2.572 179.342 176.870 -0.167 0.000 1.085 213 L CA 0.944 55.664 54.840 -0.201 0.000 0.755 213 L CB -0.601 41.257 42.059 -0.335 0.000 0.904 213 L HN 0.108 nan 8.230 nan 0.000 0.435 214 V N -0.319 119.533 119.914 -0.102 0.000 2.358 214 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 214 V C 2.450 178.487 176.094 -0.096 0.000 1.047 214 V CA 1.634 63.887 62.300 -0.079 0.000 1.035 214 V CB -0.511 31.283 31.823 -0.048 0.000 0.658 214 V HN 0.499 nan 8.190 nan 0.000 0.452 215 Q N -0.784 118.959 119.800 -0.095 0.000 2.079 215 Q HA -0.142 4.198 4.340 -0.000 0.000 0.200 215 Q C 2.414 178.348 176.000 -0.110 0.000 0.974 215 Q CA 1.562 57.309 55.803 -0.093 0.000 0.840 215 Q CB -0.408 28.282 28.738 -0.080 0.000 0.898 215 Q HN 0.503 nan 8.270 nan 0.000 0.430 216 V N 1.493 121.318 119.914 -0.149 0.000 2.407 216 V HA -0.279 3.841 4.120 -0.000 0.000 0.248 216 V C 2.322 178.309 176.094 -0.178 0.000 1.055 216 V CA 1.876 64.057 62.300 -0.199 0.000 1.049 216 V CB -0.300 31.253 31.823 -0.450 0.000 0.662 216 V HN 0.299 nan 8.190 nan 0.000 0.455 217 K N -0.416 119.882 120.400 -0.170 0.000 2.097 217 K HA -0.249 4.071 4.320 -0.000 0.000 0.205 217 K C 2.077 178.571 176.600 -0.177 0.000 1.050 217 K CA 1.900 58.126 56.287 -0.102 0.000 0.938 217 K CB -0.095 32.373 32.500 -0.053 0.000 0.718 217 K HN 0.520 nan 8.250 nan 0.000 0.442 218 E N 0.368 120.471 120.200 -0.162 0.000 2.031 218 E HA -0.147 4.203 4.350 -0.000 0.000 0.193 218 E C 1.784 178.282 176.600 -0.171 0.000 0.994 218 E CA 1.608 57.900 56.400 -0.179 0.000 0.800 218 E CB -0.124 29.500 29.700 -0.126 0.000 0.752 218 E HN 0.125 nan 8.360 nan 0.000 0.447 219 V N 0.736 120.585 119.914 -0.108 0.000 2.307 219 V HA -0.236 3.884 4.120 -0.000 0.000 0.245 219 V C 2.492 178.565 176.094 -0.036 0.000 1.045 219 V CA 1.696 63.962 62.300 -0.057 0.000 1.024 219 V CB -0.538 31.279 31.823 -0.011 0.000 0.651 219 V HN 0.300 nan 8.190 nan 0.000 0.449 220 L N 0.955 122.169 121.223 -0.015 0.000 2.046 220 L HA -0.165 4.175 4.340 -0.000 0.000 0.208 220 L C 2.745 179.644 176.870 0.048 0.000 1.077 220 L CA 1.900 56.792 54.840 0.087 0.000 0.747 220 L CB -0.824 41.346 42.059 0.185 0.000 0.896 220 L HN 0.564 nan 8.230 nan 0.000 0.432 221 S N -0.463 115.075 115.700 -0.269 0.000 2.440 221 S HA -0.197 4.273 4.470 -0.000 0.000 0.238 221 S C 1.636 175.952 174.600 -0.473 0.000 1.010 221 S CA 0.970 58.641 58.200 -0.881 0.000 0.972 221 S CB -0.354 61.854 63.200 -1.653 0.000 0.774 221 S HN 0.419 nan 8.310 nan 0.000 0.501 222 K N 0.632 120.895 120.400 -0.229 0.000 2.437 222 K HA 0.350 4.670 4.320 -0.000 0.000 0.198 222 K C -0.314 176.278 176.600 -0.013 0.000 1.024 222 K CA -0.043 56.175 56.287 -0.116 0.000 1.148 222 K CB -0.016 32.426 32.500 -0.096 0.000 0.860 222 K HN 0.408 nan 8.250 nan 0.000 0.515 223 L N 1.100 122.351 121.223 0.046 0.000 2.325 223 L HA 0.227 4.567 4.340 -0.000 0.000 0.278 223 L C 0.601 177.550 176.870 0.132 0.000 1.023 223 L CA -0.815 54.079 54.840 0.091 0.000 0.811 223 L CB 1.731 43.861 42.059 0.119 0.000 1.249 223 L HN 0.048 nan 8.230 nan 0.000 0.431 224 S N 0.178 115.939 115.700 0.102 0.000 2.600 224 S HA 0.082 4.552 4.470 -0.000 0.000 0.265 224 S C 1.009 175.684 174.600 0.125 0.000 1.325 224 S CA -0.345 57.920 58.200 0.109 0.000 1.002 224 S CB 1.253 64.497 63.200 0.073 0.000 0.921 224 S HN 0.659 nan 8.310 nan 0.000 0.554 225 T N 0.738 115.366 114.554 0.124 0.000 2.803 225 T HA -0.074 4.276 4.350 -0.000 0.000 0.269 225 T C 0.499 175.261 174.700 0.104 0.000 1.052 225 T CA 1.271 63.443 62.100 0.120 0.000 1.136 225 T CB -0.519 68.412 68.868 0.105 0.000 0.864 225 T HN 0.516 nan 8.240 nan 0.000 0.467 226 L N 2.519 123.793 121.223 0.085 0.000 2.356 226 L HA 0.447 4.787 4.340 -0.000 0.000 0.264 226 L C -0.596 176.300 176.870 0.043 0.000 1.029 226 L CA -0.615 54.267 54.840 0.070 0.000 0.897 226 L CB 0.610 42.711 42.059 0.070 0.000 1.256 226 L HN -0.178 nan 8.230 nan 0.000 0.444 227 V N 3.955 123.888 119.914 0.031 0.000 2.599 227 V HA 0.098 4.218 4.120 -0.000 0.000 0.300 227 V C 0.318 176.387 176.094 -0.041 0.000 1.034 227 V CA 0.042 62.333 62.300 -0.016 0.000 1.115 227 V CB 0.445 32.232 31.823 -0.060 0.000 0.934 227 V HN 0.691 nan 8.190 nan 0.000 0.485 228 E N 2.861 123.032 120.200 -0.048 0.000 2.185 228 E HA 0.468 4.818 4.350 -0.000 0.000 0.261 228 E C -0.739 175.821 176.600 -0.066 0.000 0.879 228 E CA -0.472 55.901 56.400 -0.045 0.000 0.756 228 E CB 1.829 31.517 29.700 -0.019 0.000 1.152 228 E HN 0.695 nan 8.360 nan 0.000 0.416 229 T N 1.546 116.054 114.554 -0.078 0.000 2.918 229 T HA 0.397 4.747 4.350 -0.000 0.000 0.286 229 T C -0.201 174.483 174.700 -0.026 0.000 1.026 229 T CA -0.581 61.480 62.100 -0.066 0.000 1.031 229 T CB 1.626 70.437 68.868 -0.096 0.000 1.046 229 T HN 0.187 nan 8.240 nan 0.000 0.479 230 T N 3.093 117.643 114.554 -0.006 0.000 2.842 230 T HA 0.409 4.759 4.350 -0.000 0.000 0.308 230 T C -0.701 174.010 174.700 0.017 0.000 1.041 230 T CA -0.493 61.609 62.100 0.003 0.000 0.964 230 T CB 0.315 69.186 68.868 0.005 0.000 0.972 230 T HN 0.204 nan 8.240 nan 0.000 0.460 231 L N 4.789 126.020 121.223 0.013 0.000 2.260 231 L HA 0.443 4.783 4.340 -0.000 0.000 0.289 231 L C 0.177 177.052 176.870 0.009 0.000 1.057 231 L CA -0.472 54.377 54.840 0.015 0.000 0.811 231 L CB 0.294 42.356 42.059 0.005 0.000 1.184 231 L HN 0.397 nan 8.230 nan 0.000 0.429 232 K N 2.394 122.801 120.400 0.012 0.000 2.455 232 K HA -0.051 4.269 4.320 -0.000 0.000 0.269 232 K C 1.104 177.703 176.600 -0.002 0.000 0.972 232 K CA 0.181 56.472 56.287 0.006 0.000 0.938 232 K CB 0.266 32.770 32.500 0.008 0.000 0.931 232 K HN 0.509 nan 8.250 nan 0.000 0.507 233 E N 0.580 120.778 120.200 -0.003 0.000 2.086 233 E HA -0.176 4.174 4.350 -0.000 0.000 0.205 233 E C 0.179 176.772 176.600 -0.012 0.000 1.027 233 E CA 2.012 58.409 56.400 -0.006 0.000 0.830 233 E CB -0.169 29.529 29.700 -0.004 0.000 0.751 233 E HN 0.791 nan 8.360 nan 0.000 0.456 234 T N -1.623 112.922 114.554 -0.015 0.000 2.912 234 T HA 0.597 4.947 4.350 -0.000 0.000 0.280 234 T C -0.745 173.936 174.700 -0.031 0.000 0.989 234 T CA -0.748 61.337 62.100 -0.025 0.000 0.995 234 T CB 1.463 70.317 68.868 -0.024 0.000 1.077 234 T HN 0.039 nan 8.240 nan 0.000 0.531 235 E N -0.038 120.132 120.200 -0.050 0.000 7.525 235 E HA -0.041 4.309 4.350 -0.000 0.000 0.334 235 E C -0.767 175.785 176.600 -0.081 0.000 0.697 235 E CA -0.232 56.129 56.400 -0.064 0.000 1.326 235 E CB -1.003 28.673 29.700 -0.039 0.000 0.925 235 E HN 1.038 nan 8.360 nan 0.000 0.262 236 K N 2.342 122.660 120.400 -0.136 0.000 2.177 236 K HA 0.828 5.148 4.320 -0.000 0.000 0.238 236 K C 0.202 176.700 176.600 -0.170 0.000 1.015 236 K CA -0.897 55.279 56.287 -0.186 0.000 0.922 236 K CB 1.946 34.234 32.500 -0.352 0.000 1.127 236 K HN 0.492 nan 8.250 nan 0.000 0.469 237 I N 0.277 120.742 120.570 -0.175 0.000 2.775 237 I HA 0.196 4.366 4.170 -0.000 0.000 0.295 237 I C -1.540 174.476 176.117 -0.169 0.000 1.287 237 I CA -0.483 60.728 61.300 -0.148 0.000 1.029 237 I CB 2.764 40.742 38.000 -0.038 0.000 1.282 237 I HN 0.775 nan 8.210 nan 0.000 0.426 238 T N 5.977 120.364 114.554 -0.279 0.000 2.795 238 T HA 0.492 4.842 4.350 -0.000 0.000 0.282 238 T C -0.597 174.005 174.700 -0.163 0.000 0.980 238 T CA -0.402 61.566 62.100 -0.219 0.000 1.012 238 T CB 1.635 70.159 68.868 -0.573 0.000 0.936 238 T HN 0.259 nan 8.240 nan 0.000 0.457 239 V N 3.060 122.952 119.914 -0.036 0.000 2.384 239 V HA 0.382 4.502 4.120 -0.000 0.000 0.287 239 V C 0.094 176.165 176.094 -0.038 0.000 1.020 239 V CA -0.808 61.467 62.300 -0.042 0.000 0.850 239 V CB 0.915 32.754 31.823 0.026 0.000 0.987 239 V HN 1.036 nan 8.190 nan 0.000 0.436 240 C N 3.551 122.727 119.300 -0.208 0.000 2.470 240 C HA 0.931 5.391 4.460 -0.000 0.000 0.341 240 C C 1.216 176.184 174.990 -0.036 0.000 1.190 240 C CA -0.121 58.790 59.018 -0.178 0.000 1.904 240 C CB 1.392 28.765 27.740 -0.613 0.000 2.354 240 C HN 1.051 nan 8.230 nan 0.000 0.509 241 G N 0.256 109.076 108.800 0.033 0.000 2.940 241 G HA2 0.448 4.408 3.960 -0.000 0.000 0.164 241 G HA3 0.448 4.408 3.960 -0.000 0.000 0.164 241 G C -1.100 173.763 174.900 -0.061 0.000 1.326 241 G CA -0.289 44.829 45.100 0.031 0.000 1.020 241 G HN 0.722 nan 8.290 nan 0.000 0.586 242 D N -0.032 120.230 120.400 -0.229 0.000 2.525 242 D HA 0.295 4.935 4.640 -0.000 0.000 0.235 242 D C 1.055 177.109 176.300 -0.409 0.000 1.137 242 D CA 0.673 54.404 54.000 -0.448 0.000 0.868 242 D CB 1.245 41.650 40.800 -0.658 0.000 1.180 242 D HN 0.230 nan 8.370 nan 0.000 0.465 243 T N -0.246 114.132 114.554 -0.294 0.000 3.056 243 T HA -0.033 4.317 4.350 -0.000 0.000 0.243 243 T C 0.097 174.783 174.700 -0.025 0.000 0.995 243 T CA -0.182 61.866 62.100 -0.086 0.000 1.091 243 T CB -0.014 68.891 68.868 0.062 0.000 0.990 243 T HN 0.481 nan 8.240 nan 0.000 0.464 244 H N 1.288 120.317 119.070 -0.069 0.000 2.592 244 H HA -0.152 4.404 4.556 -0.000 0.000 0.323 244 H C 1.461 176.805 175.328 0.026 0.000 1.117 244 H CA 0.801 56.819 56.048 -0.049 0.000 1.120 244 H CB -1.794 27.974 29.762 0.010 0.000 1.561 244 H HN 0.747 nan 8.280 nan 0.000 0.409 245 G N 1.022 109.909 108.800 0.145 0.000 2.280 245 G HA2 -0.402 3.558 3.960 -0.000 0.000 0.282 245 G HA3 -0.402 3.558 3.960 -0.000 0.000 0.282 245 G C 0.667 175.746 174.900 0.298 0.000 1.000 245 G CA 0.920 46.141 45.100 0.202 0.000 0.751 245 G HN 0.620 nan 8.290 nan 0.000 0.515 246 Q N -0.799 119.124 119.800 0.204 0.000 3.179 246 Q HA 0.459 4.799 4.340 -0.000 0.000 0.328 246 Q C 1.496 177.554 176.000 0.096 0.000 1.336 246 Q CA -0.544 55.357 55.803 0.163 0.000 0.939 246 Q CB -0.474 28.320 28.738 0.092 0.000 1.658 246 Q HN 0.522 nan 8.270 nan 0.000 0.486 247 F N 0.188 120.127 119.950 -0.019 0.000 2.063 247 F HA -0.366 4.161 4.527 -0.000 0.000 0.297 247 F C 0.761 176.369 175.800 -0.320 0.000 1.099 247 F CA 1.930 59.803 58.000 -0.213 0.000 1.220 247 F CB -0.048 38.746 39.000 -0.343 0.000 0.972 247 F HN 0.457 nan 8.300 nan 0.000 0.487 248 Y N 0.070 120.199 120.300 -0.286 0.000 2.680 248 Y HA -0.128 4.422 4.550 -0.000 0.000 0.303 248 Y C 2.000 177.771 175.900 -0.215 0.000 1.166 248 Y CA 1.063 58.998 58.100 -0.275 0.000 1.344 248 Y CB -0.652 37.737 38.460 -0.119 0.000 1.002 248 Y HN 0.184 nan 8.280 nan 0.000 0.537 249 D N -1.267 119.073 120.400 -0.100 0.000 2.388 249 D HA -0.023 4.617 4.640 -0.000 0.000 0.208 249 D C 1.979 178.186 176.300 -0.156 0.000 1.035 249 D CA 0.244 54.243 54.000 -0.001 0.000 0.875 249 D CB 0.117 40.988 40.800 0.119 0.000 0.984 249 D HN 0.290 nan 8.370 nan 0.000 0.508 250 L N 1.017 122.031 121.223 -0.349 0.000 2.093 250 L HA -0.021 4.319 4.340 -0.000 0.000 0.208 250 L C 2.035 178.452 176.870 -0.754 0.000 1.085 250 L CA 1.343 55.852 54.840 -0.553 0.000 0.755 250 L CB -0.497 41.228 42.059 -0.557 0.000 0.904 250 L HN -0.061 nan 8.230 nan 0.000 0.435 251 L N -0.379 120.462 121.223 -0.636 0.000 2.141 251 L HA -0.165 4.175 4.340 -0.000 0.000 0.209 251 L C 2.232 178.962 176.870 -0.234 0.000 1.094 251 L CA 1.248 55.853 54.840 -0.391 0.000 0.763 251 L CB -0.675 41.141 42.059 -0.404 0.000 0.908 251 L HN 0.405 nan 8.230 nan 0.000 0.437 252 N N 0.690 119.256 118.700 -0.223 0.000 2.244 252 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 252 N C 1.732 177.078 175.510 -0.273 0.000 1.016 252 N CA 1.118 54.088 53.050 -0.133 0.000 0.866 252 N CB -0.002 38.484 38.487 -0.001 0.000 0.980 252 N HN 0.262 nan 8.380 nan 0.000 0.430 253 I N -0.740 119.540 120.570 -0.484 0.000 2.286 253 I HA -0.187 3.983 4.170 -0.000 0.000 0.245 253 I C 1.162 177.069 176.117 -0.351 0.000 1.104 253 I CA 0.665 61.573 61.300 -0.652 0.000 1.397 253 I CB -0.267 37.270 38.000 -0.771 0.000 1.072 253 I HN 0.040 nan 8.210 nan 0.000 0.417 254 F N 1.337 121.130 119.950 -0.261 0.000 2.365 254 F HA -0.116 4.411 4.527 -0.000 0.000 0.300 254 F C 2.395 178.119 175.800 -0.127 0.000 1.090 254 F CA 0.931 58.811 58.000 -0.200 0.000 1.408 254 F CB -0.803 38.068 39.000 -0.215 0.000 1.060 254 F HN 0.153 nan 8.300 nan 0.000 0.534 255 E N -0.511 119.720 120.200 0.051 0.000 2.102 255 E HA -0.087 4.263 4.350 -0.000 0.000 0.190 255 E C 2.017 178.620 176.600 0.005 0.000 0.971 255 E CA 0.408 56.826 56.400 0.030 0.000 0.821 255 E CB -0.303 29.410 29.700 0.021 0.000 0.777 255 E HN 0.215 nan 8.360 nan 0.000 0.460 256 L N 0.853 122.054 121.223 -0.037 0.000 2.395 256 L HA -0.006 4.334 4.340 -0.000 0.000 0.218 256 L C 1.269 178.116 176.870 -0.037 0.000 1.130 256 L CA 1.197 56.025 54.840 -0.021 0.000 0.826 256 L CB 0.265 42.312 42.059 -0.020 0.000 0.941 256 L HN -0.005 nan 8.230 nan 0.000 0.451 257 N N -0.561 118.082 118.700 -0.096 0.000 2.143 257 N HA 0.278 5.018 4.740 -0.000 0.000 0.229 257 N C -0.078 175.434 175.510 0.003 0.000 1.294 257 N CA 0.633 53.613 53.050 -0.117 0.000 0.883 257 N CB 0.902 39.113 38.487 -0.459 0.000 1.148 257 N HN 0.202 nan 8.380 nan 0.000 0.511 258 G N 0.714 109.541 108.800 0.044 0.000 2.721 258 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.686 258 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.686 258 G C -0.698 174.248 174.900 0.078 0.000 1.236 258 G CA -0.479 44.649 45.100 0.045 0.000 0.786 258 G HN 0.202 nan 8.290 nan 0.000 0.616 259 L N 2.302 123.493 121.223 -0.053 0.000 2.467 259 L HA 0.278 4.618 4.340 -0.000 0.000 0.270 259 L C -1.446 175.257 176.870 -0.279 0.000 1.205 259 L CA -1.437 53.226 54.840 -0.295 0.000 0.828 259 L CB 0.499 42.433 42.059 -0.207 0.000 1.101 259 L HN 0.374 nan 8.230 nan 0.000 0.479 260 P HA 0.104 nan 4.420 nan 0.000 0.269 260 P C -0.855 176.156 177.300 -0.482 0.000 1.215 260 P CA -0.009 62.919 63.100 -0.287 0.000 0.780 260 P CB 1.031 32.409 31.700 -0.537 0.000 0.898 261 S N -0.370 114.973 115.700 -0.596 0.000 2.663 261 S HA 0.187 4.657 4.470 -0.000 0.000 0.264 261 S C 0.507 174.697 174.600 -0.685 0.000 1.112 261 S CA -0.818 56.732 58.200 -1.084 0.000 0.823 261 S CB 0.491 63.353 63.200 -0.564 0.000 1.111 261 S HN 0.355 nan 8.310 nan 0.000 0.476 262 E N 0.425 120.225 120.200 -0.666 0.000 2.268 262 E HA -0.021 4.329 4.350 -0.000 0.000 0.195 262 E C 0.917 177.146 176.600 -0.618 0.000 0.995 262 E CA 1.542 57.393 56.400 -0.915 0.000 0.836 262 E CB -0.346 28.946 29.700 -0.681 0.000 0.763 262 E HN 0.711 nan 8.360 nan 0.000 0.491 263 T N 0.082 114.417 114.554 -0.365 0.000 3.065 263 T HA 0.003 4.352 4.350 -0.000 0.000 0.252 263 T C 0.696 175.272 174.700 -0.207 0.000 1.099 263 T CA 0.278 62.238 62.100 -0.233 0.000 1.063 263 T CB 0.042 68.809 68.868 -0.168 0.000 0.948 263 T HN -0.045 nan 8.240 nan 0.000 0.506 264 N N 2.031 120.592 118.700 -0.232 0.000 2.752 264 N HA 0.245 4.985 4.740 -0.000 0.000 0.260 264 N C -3.034 172.358 175.510 -0.195 0.000 1.562 264 N CA -1.908 51.014 53.050 -0.214 0.000 0.788 264 N CB 1.254 39.639 38.487 -0.171 0.000 1.192 264 N HN 0.031 nan 8.380 nan 0.000 0.503 265 P HA 0.123 nan 4.420 nan 0.000 0.272 265 P C -0.977 176.201 177.300 -0.204 0.000 1.230 265 P CA 0.165 63.231 63.100 -0.056 0.000 0.788 265 P CB 1.072 32.798 31.700 0.043 0.000 0.949 266 Y N -0.029 120.190 120.300 -0.136 0.000 2.638 266 Y HA 0.679 5.229 4.550 -0.000 0.000 0.339 266 Y C 0.138 175.840 175.900 -0.329 0.000 1.084 266 Y CA -0.821 57.129 58.100 -0.251 0.000 1.068 266 Y CB 2.256 40.572 38.460 -0.241 0.000 1.294 266 Y HN 0.221 nan 8.280 nan 0.000 0.480 267 I N 1.916 122.419 120.570 -0.111 0.000 2.675 267 I HA 0.314 4.484 4.170 -0.000 0.000 0.284 267 I C -2.198 173.880 176.117 -0.064 0.000 1.285 267 I CA -0.316 60.987 61.300 0.005 0.000 1.079 267 I CB 0.482 38.558 38.000 0.128 0.000 1.318 267 I HN 0.399 nan 8.210 nan 0.000 0.439 268 F N 5.978 125.946 119.950 0.030 0.000 2.371 268 F HA 0.340 4.867 4.527 -0.000 0.000 0.363 268 F C 1.188 177.108 175.800 0.200 0.000 1.122 268 F CA -0.530 57.554 58.000 0.141 0.000 1.129 268 F CB 0.619 39.742 39.000 0.204 0.000 1.173 268 F HN 0.468 nan 8.300 nan 0.000 0.489 269 N N 3.215 122.041 118.700 0.210 0.000 3.105 269 N HA 0.216 4.956 4.740 -0.000 0.000 0.309 269 N C 0.570 176.111 175.510 0.052 0.000 1.291 269 N CA 0.895 54.034 53.050 0.148 0.000 1.153 269 N CB -0.604 37.955 38.487 0.120 0.000 1.447 269 N HN 0.887 nan 8.380 nan 0.000 0.555 270 G N 0.759 109.485 108.800 -0.123 0.000 2.741 270 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.222 270 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.222 270 G C -0.533 173.655 174.900 -1.186 0.000 1.364 270 G CA -0.267 44.324 45.100 -0.848 0.000 0.866 270 G HN 0.491 nan 8.290 nan 0.000 0.555 271 D N -1.500 118.073 120.400 -1.379 0.000 2.737 271 D HA -0.155 4.485 4.640 -0.000 0.000 0.238 271 D C 0.948 176.690 176.300 -0.931 0.000 1.157 271 D CA 1.728 55.093 54.000 -1.060 0.000 0.694 271 D CB -1.285 38.998 40.800 -0.862 0.000 1.021 271 D HN 0.752 nan 8.370 nan 0.000 0.420 272 F N -1.485 118.214 119.950 -0.417 0.000 2.776 272 F HA 0.179 4.706 4.527 -0.000 0.000 0.300 272 F C 1.494 177.118 175.800 -0.294 0.000 1.116 272 F CA -0.314 57.485 58.000 -0.335 0.000 1.375 272 F CB 0.032 38.828 39.000 -0.340 0.000 1.109 272 F HN 0.087 nan 8.300 nan 0.000 0.585 273 V N -3.855 115.935 119.914 -0.207 0.000 3.156 273 V HA 0.662 4.782 4.120 -0.000 0.000 0.311 273 V C -1.007 175.115 176.094 0.046 0.000 1.208 273 V CA -1.267 60.952 62.300 -0.135 0.000 1.063 273 V CB 1.765 33.297 31.823 -0.485 0.000 1.098 273 V HN 0.087 nan 8.190 nan 0.000 0.452 274 D N 0.137 120.623 120.400 0.142 0.000 10.746 274 D HA -0.097 4.543 4.640 -0.000 0.000 0.347 274 D C 0.866 177.194 176.300 0.046 0.000 3.135 274 D CA 0.651 54.762 54.000 0.185 0.000 2.657 274 D CB -0.167 40.764 40.800 0.219 0.000 1.219 274 D HN 1.015 nan 8.370 nan 0.000 0.943 275 R N -1.620 118.900 120.500 0.033 0.000 2.351 275 R HA -0.230 4.110 4.340 -0.000 0.000 0.152 275 R C 1.041 177.317 176.300 -0.039 0.000 0.888 275 R CA 2.307 58.346 56.100 -0.101 0.000 1.886 275 R CB -1.842 28.176 30.300 -0.469 0.000 0.907 275 R HN 0.661 nan 8.270 nan 0.000 0.665 276 G N -0.041 108.776 108.800 0.028 0.000 2.444 276 G HA2 0.350 4.310 3.960 -0.000 0.000 0.268 276 G HA3 0.350 4.310 3.960 -0.000 0.000 0.268 276 G C 0.259 175.215 174.900 0.092 0.000 1.203 276 G CA -0.027 45.135 45.100 0.102 0.000 0.835 276 G HN 0.170 nan 8.290 nan 0.000 0.543 277 S N 0.602 116.320 115.700 0.031 0.000 2.602 277 S HA 0.249 4.719 4.470 -0.000 0.000 0.246 277 S C -0.394 173.850 174.600 -0.593 0.000 1.009 277 S CA -0.240 57.841 58.200 -0.198 0.000 1.052 277 S CB -0.326 62.734 63.200 -0.234 0.000 0.778 277 S HN 0.516 nan 8.310 nan 0.000 0.455 278 F N -0.450 119.556 119.950 0.094 0.000 2.697 278 F HA 0.261 4.788 4.527 -0.000 0.000 0.367 278 F C 1.467 177.261 175.800 -0.011 0.000 1.300 278 F CA -0.385 57.636 58.000 0.035 0.000 1.121 278 F CB -0.181 38.909 39.000 0.151 0.000 1.188 278 F HN -0.026 nan 8.300 nan 0.000 0.511 279 S N -0.017 115.758 115.700 0.125 0.000 2.383 279 S HA -0.136 4.334 4.470 -0.000 0.000 0.229 279 S C 2.210 176.861 174.600 0.086 0.000 1.030 279 S CA 1.397 59.662 58.200 0.109 0.000 1.002 279 S CB -0.106 63.204 63.200 0.183 0.000 0.829 279 S HN 0.279 nan 8.310 nan 0.000 0.467 280 V N 1.569 121.527 119.914 0.074 0.000 2.358 280 V HA -0.144 3.976 4.120 -0.000 0.000 0.246 280 V C 2.323 178.338 176.094 -0.130 0.000 1.047 280 V CA 1.696 64.036 62.300 0.068 0.000 1.035 280 V CB -0.694 31.149 31.823 0.034 0.000 0.658 280 V HN 0.352 nan 8.190 nan 0.000 0.452 281 E N 0.101 120.052 120.200 -0.415 0.000 2.047 281 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 281 E C 2.181 178.601 176.600 -0.300 0.000 0.987 281 E CA 1.181 56.968 56.400 -1.021 0.000 0.799 281 E CB -0.666 28.084 29.700 -1.583 0.000 0.752 281 E HN 0.364 nan 8.360 nan 0.000 0.449 282 V N 0.930 120.861 119.914 0.027 0.000 2.255 282 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 282 V C 2.235 178.312 176.094 -0.027 0.000 1.051 282 V CA 1.769 64.171 62.300 0.169 0.000 1.018 282 V CB -0.443 31.453 31.823 0.122 0.000 0.641 282 V HN 0.239 nan 8.190 nan 0.000 0.445 283 I N -0.617 119.877 120.570 -0.127 0.000 2.226 283 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 283 I C 2.083 178.046 176.117 -0.256 0.000 1.100 283 I CA 1.697 62.788 61.300 -0.348 0.000 1.374 283 I CB -0.296 37.496 38.000 -0.346 0.000 1.057 283 I HN 0.175 nan 8.210 nan 0.000 0.413 284 L N -0.626 120.647 121.223 0.084 0.000 2.141 284 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 284 L C 2.310 179.321 176.870 0.235 0.000 1.094 284 L CA 1.539 56.552 54.840 0.289 0.000 0.763 284 L CB -0.881 41.438 42.059 0.434 0.000 0.908 284 L HN 0.225 nan 8.230 nan 0.000 0.437 285 T N 0.129 114.823 114.554 0.232 0.000 2.777 285 T HA -0.112 4.238 4.350 -0.000 0.000 0.266 285 T C 1.966 176.751 174.700 0.143 0.000 1.040 285 T CA 1.033 63.269 62.100 0.226 0.000 1.141 285 T CB -0.113 69.025 68.868 0.449 0.000 0.868 285 T HN 0.176 nan 8.240 nan 0.000 0.444 286 L N -0.308 120.942 121.223 0.044 0.000 2.005 286 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 286 L C 2.377 179.317 176.870 0.116 0.000 1.072 286 L CA 1.540 56.379 54.840 -0.002 0.000 0.744 286 L CB -0.647 41.177 42.059 -0.391 0.000 0.895 286 L HN 0.275 nan 8.230 nan 0.000 0.433 287 F N 0.147 120.125 119.950 0.047 0.000 2.161 287 F HA -0.202 4.325 4.527 -0.000 0.000 0.300 287 F C 2.548 178.356 175.800 0.014 0.000 1.089 287 F CA 0.530 58.575 58.000 0.075 0.000 1.282 287 F CB -0.676 38.404 39.000 0.134 0.000 1.010 287 F HN 0.161 nan 8.300 nan 0.000 0.485 288 G N 0.048 108.944 108.800 0.159 0.000 2.476 288 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.218 288 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.218 288 G C 1.417 176.172 174.900 -0.242 0.000 1.164 288 G CA 0.821 45.892 45.100 -0.047 0.000 0.768 288 G HN 0.312 nan 8.290 nan 0.000 0.560 289 F N 0.683 120.454 119.950 -0.300 0.000 2.407 289 F HA 0.109 4.636 4.527 -0.000 0.000 0.299 289 F C 2.527 178.073 175.800 -0.424 0.000 1.097 289 F CA 1.084 58.731 58.000 -0.589 0.000 1.422 289 F CB 0.173 38.361 39.000 -1.353 0.000 1.067 289 F HN 0.052 nan 8.300 nan 0.000 0.539 290 K N 1.136 121.546 120.400 0.017 0.000 2.148 290 K HA -0.095 4.225 4.320 -0.000 0.000 0.204 290 K C 1.656 178.344 176.600 0.148 0.000 1.050 290 K CA 1.465 57.912 56.287 0.266 0.000 0.942 290 K CB -0.507 32.220 32.500 0.378 0.000 0.724 290 K HN 0.286 nan 8.250 nan 0.000 0.446 291 L N -0.240 121.010 121.223 0.045 0.000 2.209 291 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 291 L C 2.054 178.871 176.870 -0.089 0.000 1.094 291 L CA 0.255 55.087 54.840 -0.014 0.000 0.790 291 L CB -0.267 41.771 42.059 -0.035 0.000 0.932 291 L HN 0.155 nan 8.230 nan 0.000 0.447 292 L N -0.971 120.131 121.223 -0.202 0.000 2.179 292 L HA -0.073 4.267 4.340 -0.000 0.000 0.208 292 L C -0.030 176.510 176.870 -0.551 0.000 1.096 292 L CA 1.570 56.129 54.840 -0.468 0.000 0.779 292 L CB 0.050 41.668 42.059 -0.734 0.000 0.922 292 L HN 0.123 nan 8.230 nan 0.000 0.443 293 Y N -0.672 119.701 120.300 0.121 0.000 2.490 293 Y HA 0.367 4.917 4.550 -0.000 0.000 0.346 293 Y C -1.816 174.213 175.900 0.214 0.000 1.023 293 Y CA -2.411 55.806 58.100 0.195 0.000 1.142 293 Y CB 0.004 38.609 38.460 0.242 0.000 1.126 293 Y HN 0.025 nan 8.280 nan 0.000 0.647 294 P HA -0.065 nan 4.420 nan 0.000 0.231 294 P C -0.104 177.325 177.300 0.214 0.000 1.158 294 P CA 1.293 64.526 63.100 0.223 0.000 0.763 294 P CB 0.490 32.273 31.700 0.138 0.000 0.805 295 D N -2.398 118.093 120.400 0.153 0.000 2.441 295 D HA 0.034 4.674 4.640 -0.000 0.000 0.210 295 D C 1.110 177.267 176.300 -0.239 0.000 1.102 295 D CA 0.301 54.294 54.000 -0.012 0.000 0.840 295 D CB 0.057 40.752 40.800 -0.175 0.000 0.990 295 D HN 0.302 nan 8.370 nan 0.000 0.505 296 H N -1.300 117.858 119.070 0.147 0.000 3.078 296 H HA 0.235 4.791 4.556 -0.000 0.000 0.263 296 H C -0.760 174.467 175.328 -0.168 0.000 1.177 296 H CA -0.143 55.894 56.048 -0.018 0.000 1.128 296 H CB 0.963 30.748 29.762 0.040 0.000 1.623 296 H HN 0.033 nan 8.280 nan 0.000 0.592 297 F N 3.050 122.825 119.950 -0.292 0.000 2.612 297 F HA 0.318 4.845 4.527 -0.000 0.000 0.332 297 F C -0.820 174.883 175.800 -0.161 0.000 1.167 297 F CA -0.701 57.227 58.000 -0.119 0.000 0.970 297 F CB 0.858 39.971 39.000 0.189 0.000 1.234 297 F HN -0.007 nan 8.300 nan 0.000 0.453 298 H N 6.612 125.717 119.070 0.059 0.000 2.469 298 H HA 0.592 5.148 4.556 -0.000 0.000 0.342 298 H C -0.929 174.488 175.328 0.148 0.000 1.115 298 H CA -0.921 55.208 56.048 0.135 0.000 1.204 298 H CB 2.290 32.115 29.762 0.105 0.000 1.492 298 H HN 0.541 nan 8.280 nan 0.000 0.499 299 L N 3.664 125.098 121.223 0.352 0.000 2.356 299 L HA 0.429 4.769 4.340 -0.000 0.000 0.277 299 L C -0.343 176.763 176.870 0.394 0.000 0.996 299 L CA -0.455 54.605 54.840 0.367 0.000 0.822 299 L CB 1.781 44.003 42.059 0.272 0.000 1.256 299 L HN 0.244 nan 8.230 nan 0.000 0.413 300 L N 2.576 124.039 121.223 0.400 0.000 2.330 300 L HA 0.588 4.928 4.340 -0.000 0.000 0.271 300 L C 0.079 177.047 176.870 0.164 0.000 1.013 300 L CA -0.765 54.221 54.840 0.244 0.000 0.816 300 L CB 2.127 44.283 42.059 0.162 0.000 1.287 300 L HN 0.590 nan 8.230 nan 0.000 0.435 301 R N 0.252 120.794 120.500 0.070 0.000 2.441 301 R HA 0.525 4.865 4.340 -0.000 0.000 0.284 301 R C -0.215 175.935 176.300 -0.250 0.000 1.070 301 R CA -0.082 55.969 56.100 -0.081 0.000 1.047 301 R CB 1.186 31.485 30.300 -0.002 0.000 1.016 301 R HN 0.828 nan 8.270 nan 0.000 0.477 302 G N 1.298 109.788 108.800 -0.517 0.000 2.600 302 G HA2 0.064 4.023 3.960 -0.000 0.000 0.303 302 G HA3 0.064 4.023 3.960 -0.000 0.000 0.303 302 G C 0.304 174.890 174.900 -0.522 0.000 1.253 302 G CA -0.754 43.856 45.100 -0.817 0.000 0.974 302 G HN 0.807 nan 8.290 nan 0.000 0.483 303 N N -0.561 117.846 118.700 -0.488 0.000 2.348 303 N HA -0.180 4.559 4.740 -0.000 0.000 0.185 303 N C 0.901 176.225 175.510 -0.309 0.000 1.019 303 N CA 1.240 54.003 53.050 -0.478 0.000 0.880 303 N CB -0.255 37.439 38.487 -1.321 0.000 0.965 303 N HN 0.610 nan 8.380 nan 0.000 0.437 304 H N -0.229 118.661 119.070 -0.299 0.000 2.539 304 H HA 0.160 4.716 4.556 -0.000 0.000 0.267 304 H C 0.229 175.458 175.328 -0.164 0.000 0.982 304 H CA 0.203 56.172 56.048 -0.131 0.000 1.146 304 H CB 0.545 30.239 29.762 -0.113 0.000 1.382 304 H HN 0.245 nan 8.280 nan 0.000 0.577 305 E N 0.809 120.856 120.200 -0.256 0.000 2.304 305 E HA 0.107 4.457 4.350 -0.000 0.000 0.212 305 E C -0.317 176.319 176.600 0.060 0.000 1.185 305 E CA 0.012 56.138 56.400 -0.456 0.000 1.326 305 E CB 0.278 29.514 29.700 -0.772 0.000 1.283 305 E HN 0.085 nan 8.360 nan 0.000 0.440 306 T N -0.096 114.574 114.554 0.193 0.000 2.863 306 T HA 0.133 4.483 4.350 -0.000 0.000 0.285 306 T C 0.385 175.300 174.700 0.358 0.000 1.009 306 T CA -0.810 61.451 62.100 0.269 0.000 0.989 306 T CB 1.602 70.606 68.868 0.228 0.000 1.004 306 T HN -0.085 nan 8.240 nan 0.000 0.455 307 D N 1.988 122.590 120.400 0.336 0.000 2.123 307 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 307 D C 1.715 178.212 176.300 0.329 0.000 0.992 307 D CA 1.369 55.593 54.000 0.374 0.000 0.833 307 D CB -0.201 40.772 40.800 0.288 0.000 0.954 307 D HN 0.484 nan 8.370 nan 0.000 0.455 308 N N -0.157 118.702 118.700 0.266 0.000 2.137 308 N HA -0.156 4.584 4.740 -0.000 0.000 0.190 308 N C 1.522 177.186 175.510 0.255 0.000 1.017 308 N CA 1.030 54.219 53.050 0.230 0.000 0.859 308 N CB -0.134 38.478 38.487 0.208 0.000 1.002 308 N HN 0.079 nan 8.380 nan 0.000 0.428 309 M N 0.144 119.931 119.600 0.312 0.000 2.394 309 M HA 0.123 4.603 4.480 -0.000 0.000 0.266 309 M C 1.182 177.761 176.300 0.465 0.000 1.098 309 M CA 1.037 56.569 55.300 0.387 0.000 1.149 309 M CB -0.220 32.500 32.600 0.200 0.000 1.369 309 M HN 0.141 nan 8.290 nan 0.000 0.450 310 N N -0.080 118.892 118.700 0.454 0.000 2.223 310 N HA -0.214 4.526 4.740 -0.000 0.000 0.185 310 N C 1.057 176.744 175.510 0.296 0.000 1.016 310 N CA 1.266 54.623 53.050 0.511 0.000 0.863 310 N CB -0.085 38.853 38.487 0.752 0.000 0.983 310 N HN 0.579 nan 8.380 nan 0.000 0.429 311 Q N -0.121 119.802 119.800 0.205 0.000 2.365 311 Q HA 0.112 4.452 4.340 -0.000 0.000 0.203 311 Q C 0.849 176.844 176.000 -0.008 0.000 0.929 311 Q CA 0.425 56.259 55.803 0.052 0.000 0.948 311 Q CB 0.460 29.231 28.738 0.054 0.000 1.043 311 Q HN 0.367 nan 8.270 nan 0.000 0.505 312 I N -1.423 119.127 120.570 -0.034 0.000 4.607 312 I HA 0.063 4.233 4.170 -0.000 0.000 0.324 312 I C 0.356 176.204 176.117 -0.447 0.000 1.279 312 I CA 0.198 61.323 61.300 -0.291 0.000 1.286 312 I CB 0.037 37.744 38.000 -0.488 0.000 1.265 312 I HN 0.115 nan 8.210 nan 0.000 0.446 313 Y N 1.303 121.711 120.300 0.180 0.000 2.507 313 Y HA 0.537 5.087 4.550 -0.000 0.000 0.254 313 Y C 1.754 177.747 175.900 0.156 0.000 1.171 313 Y CA 0.365 58.574 58.100 0.181 0.000 1.238 313 Y CB 0.576 39.202 38.460 0.277 0.000 1.148 313 Y HN 0.270 nan 8.280 nan 0.000 0.525 314 G N -0.547 108.386 108.800 0.222 0.000 2.436 314 G HA2 -0.345 3.615 3.960 -0.000 0.000 0.204 314 G HA3 -0.345 3.615 3.960 -0.000 0.000 0.204 314 G C 1.074 176.058 174.900 0.141 0.000 1.026 314 G CA 0.199 45.410 45.100 0.185 0.000 0.658 314 G HN 0.230 nan 8.290 nan 0.000 0.499 315 F N 2.193 122.185 119.950 0.070 0.000 2.091 315 F HA 0.028 4.555 4.527 -0.000 0.000 0.299 315 F C 2.346 178.117 175.800 -0.048 0.000 1.103 315 F CA 2.739 60.758 58.000 0.032 0.000 1.228 315 F CB -0.274 38.837 39.000 0.187 0.000 0.984 315 F HN 0.447 nan 8.300 nan 0.000 0.477 316 E N -0.367 119.693 120.200 -0.233 0.000 2.023 316 E HA -0.180 4.170 4.350 -0.000 0.000 0.196 316 E C 2.534 178.855 176.600 -0.466 0.000 1.003 316 E CA 1.313 57.229 56.400 -0.807 0.000 0.809 316 E CB -0.930 28.257 29.700 -0.856 0.000 0.755 316 E HN 0.464 nan 8.360 nan 0.000 0.449 317 G N 0.859 109.523 108.800 -0.226 0.000 2.503 317 G HA2 -0.365 3.595 3.960 -0.000 0.000 0.221 317 G HA3 -0.365 3.595 3.960 -0.000 0.000 0.221 317 G C 1.456 176.316 174.900 -0.067 0.000 1.131 317 G CA 1.171 46.229 45.100 -0.071 0.000 0.756 317 G HN 0.438 nan 8.290 nan 0.000 0.572 318 E N -0.312 119.680 120.200 -0.346 0.000 2.076 318 E HA -0.046 4.304 4.350 -0.000 0.000 0.190 318 E C 2.695 179.013 176.600 -0.469 0.000 0.979 318 E CA 0.716 56.609 56.400 -0.845 0.000 0.807 318 E CB 0.005 29.105 29.700 -0.999 0.000 0.761 318 E HN 0.267 nan 8.360 nan 0.000 0.454 319 V N 1.620 121.276 119.914 -0.430 0.000 2.343 319 V HA -0.252 3.868 4.120 -0.000 0.000 0.247 319 V C 2.224 178.289 176.094 -0.049 0.000 1.051 319 V CA 1.927 64.097 62.300 -0.217 0.000 1.036 319 V CB -0.394 31.269 31.823 -0.267 0.000 0.654 319 V HN 0.218 nan 8.190 nan 0.000 0.451 320 K N 0.125 120.466 120.400 -0.099 0.000 2.148 320 K HA -0.078 4.242 4.320 -0.000 0.000 0.204 320 K C 2.253 178.849 176.600 -0.005 0.000 1.050 320 K CA 1.344 57.616 56.287 -0.025 0.000 0.942 320 K CB -0.317 32.146 32.500 -0.062 0.000 0.724 320 K HN 0.492 nan 8.250 nan 0.000 0.446 321 A N 1.733 124.550 122.820 -0.006 0.000 1.897 321 A HA -0.129 4.191 4.320 -0.000 0.000 0.215 321 A C 1.782 179.346 177.584 -0.034 0.000 1.181 321 A CA 1.271 53.335 52.037 0.044 0.000 0.620 321 A CB -0.098 19.052 19.000 0.249 0.000 0.821 321 A HN 0.151 nan 8.150 nan 0.000 0.443 322 K N -2.467 117.852 120.400 -0.135 0.000 2.243 322 K HA 0.129 4.449 4.320 -0.000 0.000 0.201 322 K C 0.190 176.466 176.600 -0.540 0.000 1.051 322 K CA 0.682 56.761 56.287 -0.347 0.000 0.970 322 K CB 0.029 32.254 32.500 -0.458 0.000 0.755 322 K HN 0.556 nan 8.250 nan 0.000 0.465 323 Y N -0.179 120.114 120.300 -0.013 0.000 3.321 323 Y HA 0.139 4.689 4.550 -0.000 0.000 0.273 323 Y C 0.518 176.424 175.900 0.011 0.000 2.038 323 Y CA -1.084 57.011 58.100 -0.008 0.000 0.871 323 Y CB 0.072 38.514 38.460 -0.031 0.000 1.458 323 Y HN -0.217 nan 8.280 nan 0.000 0.600 324 T N -1.412 113.293 114.554 0.252 0.000 2.925 324 T HA 0.621 4.971 4.350 -0.000 0.000 0.285 324 T C 0.637 175.423 174.700 0.142 0.000 1.021 324 T CA -0.302 61.895 62.100 0.161 0.000 1.042 324 T CB 1.620 70.592 68.868 0.173 0.000 1.037 324 T HN 0.700 nan 8.240 nan 0.000 0.481 325 A N 0.495 123.380 122.820 0.108 0.000 2.259 325 A HA -0.002 4.318 4.320 -0.000 0.000 0.212 325 A C 1.994 179.679 177.584 0.168 0.000 1.178 325 A CA 1.171 53.276 52.037 0.114 0.000 0.734 325 A CB -0.813 18.231 19.000 0.073 0.000 0.774 325 A HN 0.934 nan 8.150 nan 0.000 0.481 326 Q N -1.819 118.074 119.800 0.155 0.000 2.350 326 Q HA 0.138 4.478 4.340 -0.000 0.000 0.225 326 Q C 1.737 177.817 176.000 0.134 0.000 0.878 326 Q CA 0.576 56.468 55.803 0.148 0.000 0.935 326 Q CB 0.026 28.846 28.738 0.137 0.000 1.099 326 Q HN 0.567 nan 8.270 nan 0.000 0.527 327 M N -0.290 119.365 119.600 0.092 0.000 2.132 327 M HA -0.141 4.339 4.480 -0.000 0.000 0.263 327 M C 1.630 177.875 176.300 -0.092 0.000 1.065 327 M CA 1.494 56.686 55.300 -0.181 0.000 1.122 327 M CB -0.449 31.989 32.600 -0.271 0.000 1.365 327 M HN 0.342 nan 8.290 nan 0.000 0.411 328 Y N 0.779 121.092 120.300 0.021 0.000 2.181 328 Y HA -0.210 4.340 4.550 -0.000 0.000 0.288 328 Y C 2.210 178.172 175.900 0.105 0.000 1.146 328 Y CA 2.462 60.629 58.100 0.111 0.000 1.164 328 Y CB -0.584 37.880 38.460 0.006 0.000 0.982 328 Y HN 0.500 nan 8.280 nan 0.000 0.515 329 E N -0.401 119.786 120.200 -0.022 0.000 2.118 329 E HA -0.240 4.109 4.350 -0.000 0.000 0.195 329 E C 2.039 178.565 176.600 -0.124 0.000 0.992 329 E CA 1.289 57.633 56.400 -0.094 0.000 0.804 329 E CB -0.320 29.408 29.700 0.046 0.000 0.741 329 E HN 0.478 nan 8.360 nan 0.000 0.458 330 L N 0.001 121.156 121.223 -0.113 0.000 2.156 330 L HA -0.042 4.298 4.340 -0.000 0.000 0.208 330 L C 1.690 178.446 176.870 -0.190 0.000 1.095 330 L CA 1.332 56.089 54.840 -0.138 0.000 0.770 330 L CB -0.485 41.474 42.059 -0.168 0.000 0.914 330 L HN 0.091 nan 8.230 nan 0.000 0.439 331 F N 0.213 120.017 119.950 -0.244 0.000 2.031 331 F HA -0.209 4.318 4.527 -0.000 0.000 0.295 331 F C 2.982 178.454 175.800 -0.547 0.000 1.133 331 F CA 1.795 59.578 58.000 -0.362 0.000 1.188 331 F CB -1.341 37.496 39.000 -0.272 0.000 0.974 331 F HN 0.286 nan 8.300 nan 0.000 0.473 332 S N -0.531 114.979 115.700 -0.317 0.000 2.462 332 S HA -0.232 4.238 4.470 -0.000 0.000 0.243 332 S C 1.775 176.389 174.600 0.024 0.000 1.003 332 S CA 1.617 59.731 58.200 -0.144 0.000 0.970 332 S CB -0.689 62.390 63.200 -0.202 0.000 0.762 332 S HN 0.566 nan 8.310 nan 0.000 0.510 333 E N 0.382 120.579 120.200 -0.005 0.000 2.112 333 E HA -0.052 4.298 4.350 -0.000 0.000 0.190 333 E C 2.272 178.983 176.600 0.186 0.000 0.979 333 E CA 1.250 57.696 56.400 0.076 0.000 0.814 333 E CB -0.104 29.633 29.700 0.062 0.000 0.762 333 E HN 0.659 nan 8.360 nan 0.000 0.460 334 V N -1.294 118.725 119.914 0.175 0.000 2.719 334 V HA -0.104 4.016 4.120 -0.000 0.000 0.252 334 V C 1.908 178.276 176.094 0.457 0.000 1.065 334 V CA 0.944 63.407 62.300 0.271 0.000 1.086 334 V CB -0.586 31.270 31.823 0.054 0.000 0.700 334 V HN 0.080 nan 8.190 nan 0.000 0.467 335 F N 1.938 122.056 119.950 0.281 0.000 2.333 335 F HA 0.018 4.545 4.527 -0.000 0.000 0.300 335 F C 2.452 178.348 175.800 0.159 0.000 1.083 335 F CA 1.359 59.523 58.000 0.273 0.000 1.395 335 F CB -0.786 38.360 39.000 0.243 0.000 1.056 335 F HN 0.385 nan 8.300 nan 0.000 0.529 336 E N -2.397 117.953 120.200 0.251 0.000 2.358 336 E HA -0.177 4.173 4.350 -0.000 0.000 0.195 336 E C 1.256 177.757 176.600 -0.164 0.000 1.010 336 E CA 0.558 56.945 56.400 -0.021 0.000 0.856 336 E CB -0.275 29.313 29.700 -0.187 0.000 0.795 336 E HN 0.461 nan 8.360 nan 0.000 0.504 337 W N 1.158 122.561 121.300 0.172 0.000 3.330 337 W HA 0.235 4.895 4.660 -0.000 0.000 0.348 337 W C -0.058 176.553 176.519 0.153 0.000 1.205 337 W CA -0.524 56.901 57.345 0.132 0.000 1.841 337 W CB 0.409 29.924 29.460 0.092 0.000 1.084 337 W HN -0.129 nan 8.180 nan 0.000 0.665 338 L N 2.528 123.953 121.223 0.337 0.000 2.290 338 L HA 0.291 4.631 4.340 -0.000 0.000 0.284 338 L C -1.831 175.175 176.870 0.226 0.000 1.078 338 L CA -2.075 52.948 54.840 0.306 0.000 0.815 338 L CB 0.435 42.679 42.059 0.309 0.000 1.162 338 L HN -0.429 nan 8.230 nan 0.000 0.435 339 P HA -0.060 nan 4.420 nan 0.000 0.267 339 P C 0.466 177.847 177.300 0.134 0.000 1.195 339 P CA 0.259 63.460 63.100 0.169 0.000 0.773 339 P CB 0.572 32.367 31.700 0.158 0.000 0.837 340 L N 0.466 121.756 121.223 0.112 0.000 2.585 340 L HA 0.390 4.730 4.340 -0.000 0.000 0.226 340 L C 0.853 177.773 176.870 0.082 0.000 1.113 340 L CA 0.309 55.203 54.840 0.091 0.000 0.876 340 L CB -0.053 42.063 42.059 0.096 0.000 1.072 340 L HN 0.426 nan 8.230 nan 0.000 0.468 341 A N -0.249 122.624 122.820 0.088 0.000 2.583 341 A HA 0.584 4.904 4.320 -0.000 0.000 0.292 341 A C -1.605 176.018 177.584 0.065 0.000 1.045 341 A CA -0.427 51.655 52.037 0.075 0.000 0.672 341 A CB 1.515 20.567 19.000 0.088 0.000 1.283 341 A HN 0.007 nan 8.150 nan 0.000 0.419 342 Q N -0.244 119.583 119.800 0.046 0.000 2.359 342 Q HA 0.605 4.945 4.340 -0.000 0.000 0.274 342 Q C -1.677 174.327 176.000 0.005 0.000 1.074 342 Q CA -0.562 55.250 55.803 0.015 0.000 0.810 342 Q CB 2.384 31.122 28.738 -0.000 0.000 1.342 342 Q HN 1.233 nan 8.270 nan 0.000 0.427 343 C N 5.484 124.778 119.300 -0.010 0.000 2.340 343 C HA 0.635 5.095 4.460 -0.000 0.000 0.323 343 C C -0.725 174.244 174.990 -0.034 0.000 1.260 343 C CA -0.508 58.501 59.018 -0.015 0.000 1.464 343 C CB -0.153 27.590 27.740 0.004 0.000 2.156 343 C HN 0.835 nan 8.230 nan 0.000 0.476 344 I N 6.771 127.315 120.570 -0.045 0.000 2.312 344 I HA 0.286 4.456 4.170 -0.000 0.000 0.290 344 I C 0.097 176.193 176.117 -0.035 0.000 1.008 344 I CA -0.015 61.261 61.300 -0.039 0.000 1.226 344 I CB 0.800 38.777 38.000 -0.037 0.000 1.371 344 I HN 0.774 nan 8.210 nan 0.000 0.468 345 N N 4.964 123.651 118.700 -0.023 0.000 2.721 345 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 345 N C 1.096 176.595 175.510 -0.018 0.000 1.072 345 N CA 1.212 54.252 53.050 -0.016 0.000 0.710 345 N CB -1.297 37.184 38.487 -0.010 0.000 0.993 345 N HN 1.083 nan 8.380 nan 0.000 0.547 346 G N -1.335 107.453 108.800 -0.021 0.000 2.230 346 G HA2 -0.449 3.511 3.960 -0.000 0.000 0.270 346 G HA3 -0.449 3.511 3.960 -0.000 0.000 0.270 346 G C 1.248 176.134 174.900 -0.025 0.000 0.987 346 G CA 1.441 46.529 45.100 -0.021 0.000 0.664 346 G HN 0.459 nan 8.290 nan 0.000 0.539 347 K N -0.782 119.599 120.400 -0.032 0.000 2.214 347 K HA 0.322 4.642 4.320 -0.000 0.000 0.201 347 K C 1.052 177.591 176.600 -0.102 0.000 1.049 347 K CA 0.783 57.048 56.287 -0.036 0.000 0.978 347 K CB 0.175 32.669 32.500 -0.011 0.000 0.842 347 K HN 0.349 nan 8.250 nan 0.000 0.474 348 V N 2.910 122.731 119.914 -0.156 0.000 2.417 348 V HA 0.309 4.429 4.120 -0.000 0.000 0.291 348 V C -0.647 175.344 176.094 -0.172 0.000 1.024 348 V CA -1.020 61.094 62.300 -0.309 0.000 0.861 348 V CB 1.530 33.103 31.823 -0.417 0.000 0.985 348 V HN 0.029 nan 8.190 nan 0.000 0.436 349 L N 7.440 128.580 121.223 -0.138 0.000 2.313 349 L HA 0.736 5.076 4.340 -0.000 0.000 0.283 349 L C -0.486 176.359 176.870 -0.042 0.000 1.013 349 L CA -0.134 54.691 54.840 -0.025 0.000 0.816 349 L CB 1.365 43.486 42.059 0.104 0.000 1.236 349 L HN 0.705 nan 8.230 nan 0.000 0.419 350 I N 4.379 124.939 120.570 -0.016 0.000 2.498 350 I HA 0.666 4.836 4.170 -0.000 0.000 0.290 350 I C -0.989 175.136 176.117 0.013 0.000 1.032 350 I CA -0.688 60.610 61.300 -0.003 0.000 1.073 350 I CB 2.071 40.077 38.000 0.010 0.000 1.251 350 I HN 0.723 nan 8.210 nan 0.000 0.426 351 M N 3.259 122.856 119.600 -0.005 0.000 2.618 351 M HA 0.416 4.896 4.480 -0.000 0.000 0.281 351 M C -0.049 176.250 176.300 -0.001 0.000 1.267 351 M CA -0.479 54.820 55.300 -0.003 0.000 0.845 351 M CB 1.392 33.958 32.600 -0.056 0.000 1.732 351 M HN 0.838 nan 8.290 nan 0.000 0.461 352 H N 1.754 120.768 119.070 -0.095 0.000 2.253 352 H HA 0.074 4.630 4.556 -0.000 0.000 0.296 352 H C 1.496 176.735 175.328 -0.149 0.000 1.067 352 H CA 3.542 59.517 56.048 -0.120 0.000 1.245 352 H CB -0.366 29.286 29.762 -0.183 0.000 1.364 352 H HN 0.885 nan 8.280 nan 0.000 0.494 353 G N -1.491 107.086 108.800 -0.372 0.000 2.699 353 G HA2 0.343 4.303 3.960 -0.000 0.000 0.214 353 G HA3 0.343 4.303 3.960 -0.000 0.000 0.214 353 G C 0.626 175.380 174.900 -0.243 0.000 1.350 353 G CA 0.648 45.432 45.100 -0.527 0.000 0.873 353 G HN 0.840 nan 8.290 nan 0.000 0.570 354 G N -1.790 106.881 108.800 -0.214 0.000 2.510 354 G HA2 0.446 4.406 3.960 -0.000 0.000 0.277 354 G HA3 0.446 4.406 3.960 -0.000 0.000 0.277 354 G C -0.880 173.644 174.900 -0.627 0.000 1.223 354 G CA -0.670 44.344 45.100 -0.143 0.000 0.887 354 G HN 0.382 nan 8.290 nan 0.000 0.485 355 L N -0.230 120.318 121.223 -1.125 0.000 2.543 355 L HA 0.569 4.909 4.340 -0.000 0.000 0.231 355 L C 0.080 176.277 176.870 -1.120 0.000 1.194 355 L CA -0.600 53.394 54.840 -1.411 0.000 0.823 355 L CB 0.316 41.470 42.059 -1.509 0.000 1.374 355 L HN 0.396 nan 8.230 nan 0.000 0.507 356 F N -1.550 118.148 119.950 -0.420 0.000 2.375 356 F HA 0.282 4.809 4.527 -0.000 0.000 0.317 356 F C 1.427 177.189 175.800 -0.063 0.000 1.124 356 F CA -0.523 57.380 58.000 -0.162 0.000 1.050 356 F CB 0.511 39.464 39.000 -0.079 0.000 1.314 356 F HN 0.317 nan 8.300 nan 0.000 0.511 357 S N -1.365 114.465 115.700 0.215 0.000 2.371 357 S HA -0.002 4.468 4.470 -0.000 0.000 0.221 357 S C 0.272 174.952 174.600 0.133 0.000 1.036 357 S CA 0.388 58.677 58.200 0.148 0.000 0.965 357 S CB -0.286 62.987 63.200 0.123 0.000 0.845 357 S HN 0.540 nan 8.310 nan 0.000 0.475 358 E N 1.461 121.742 120.200 0.136 0.000 2.343 358 E HA 0.122 4.472 4.350 -0.000 0.000 0.269 358 E C -0.091 176.560 176.600 0.085 0.000 1.047 358 E CA -0.210 56.239 56.400 0.082 0.000 0.874 358 E CB 0.517 30.241 29.700 0.041 0.000 1.033 358 E HN 0.181 nan 8.360 nan 0.000 0.409 359 D N 2.394 122.830 120.400 0.061 0.000 2.289 359 D HA -0.041 4.599 4.640 -0.000 0.000 0.207 359 D C 1.460 177.782 176.300 0.036 0.000 0.966 359 D CA 0.446 54.484 54.000 0.064 0.000 0.868 359 D CB 0.177 41.008 40.800 0.052 0.000 0.943 359 D HN 0.616 nan 8.370 nan 0.000 0.514 360 G N 1.633 110.431 108.800 -0.003 0.000 2.879 360 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.200 360 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.200 360 G C 0.393 175.251 174.900 -0.069 0.000 1.437 360 G CA 0.894 45.971 45.100 -0.038 0.000 0.835 360 G HN 0.164 nan 8.290 nan 0.000 0.640 361 V N 0.385 120.210 119.914 -0.148 0.000 3.839 361 V HA -0.056 4.064 4.120 -0.000 0.000 0.537 361 V C 0.402 176.398 176.094 -0.164 0.000 0.684 361 V CA 1.050 63.198 62.300 -0.253 0.000 2.092 361 V CB -2.117 29.382 31.823 -0.539 0.000 2.483 361 V HN 1.384 nan 8.190 nan 0.000 0.519 362 T N 1.776 116.230 114.554 -0.166 0.000 2.812 362 T HA 0.732 5.082 4.350 -0.000 0.000 0.294 362 T C 0.603 175.243 174.700 -0.100 0.000 1.159 362 T CA -0.449 61.540 62.100 -0.184 0.000 1.008 362 T CB 1.742 70.523 68.868 -0.145 0.000 1.289 362 T HN 0.327 nan 8.240 nan 0.000 0.514 363 L N 0.397 121.558 121.223 -0.103 0.000 2.127 363 L HA -0.078 4.262 4.340 -0.000 0.000 0.211 363 L C 2.598 179.468 176.870 -0.001 0.000 1.089 363 L CA 1.727 56.560 54.840 -0.011 0.000 0.757 363 L CB -0.379 41.663 42.059 -0.029 0.000 0.899 363 L HN 0.836 nan 8.230 nan 0.000 0.434 364 D N -0.032 120.351 120.400 -0.028 0.000 2.117 364 D HA -0.195 4.445 4.640 -0.000 0.000 0.198 364 D C 1.489 177.782 176.300 -0.012 0.000 0.982 364 D CA 1.111 55.102 54.000 -0.016 0.000 0.828 364 D CB 0.164 40.948 40.800 -0.026 0.000 0.967 364 D HN 0.274 nan 8.370 nan 0.000 0.464 365 D N 0.802 121.181 120.400 -0.036 0.000 2.133 365 D HA -0.183 4.457 4.640 -0.000 0.000 0.192 365 D C 2.192 178.485 176.300 -0.012 0.000 1.001 365 D CA 0.564 54.536 54.000 -0.047 0.000 0.844 365 D CB -0.267 40.465 40.800 -0.114 0.000 0.944 365 D HN 0.306 nan 8.370 nan 0.000 0.447 366 I N 0.951 121.532 120.570 0.019 0.000 2.099 366 I HA -0.246 3.924 4.170 -0.000 0.000 0.239 366 I C 2.427 178.586 176.117 0.071 0.000 1.066 366 I CA 1.194 62.541 61.300 0.079 0.000 1.324 366 I CB -1.038 37.045 38.000 0.139 0.000 1.037 366 I HN 0.048 nan 8.210 nan 0.000 0.401 367 R N 0.956 121.491 120.500 0.058 0.000 2.119 367 R HA -0.183 4.157 4.340 -0.000 0.000 0.246 367 R C 1.221 177.554 176.300 0.056 0.000 1.146 367 R CA 1.314 57.447 56.100 0.056 0.000 0.962 367 R CB -0.400 29.924 30.300 0.040 0.000 0.863 367 R HN 0.381 nan 8.270 nan 0.000 0.442 368 K N 0.933 121.357 120.400 0.041 0.000 3.173 368 K HA 0.229 4.549 4.320 -0.000 0.000 0.255 368 K C -0.473 176.151 176.600 0.040 0.000 1.235 368 K CA 0.070 56.380 56.287 0.039 0.000 1.250 368 K CB 0.162 32.676 32.500 0.023 0.000 1.382 368 K HN 0.145 nan 8.250 nan 0.000 0.421 369 I N 0.922 121.523 120.570 0.053 0.000 2.441 369 I HA 0.110 4.280 4.170 -0.000 0.000 0.295 369 I C 0.136 176.281 176.117 0.047 0.000 0.994 369 I CA -0.787 60.544 61.300 0.050 0.000 1.144 369 I CB 1.943 39.982 38.000 0.066 0.000 1.314 369 I HN 0.157 nan 8.210 nan 0.000 0.445 370 E N 5.930 126.148 120.200 0.030 0.000 1.802 370 E HA 0.077 4.427 4.350 -0.000 0.000 0.265 370 E C 0.960 177.538 176.600 -0.037 0.000 1.168 370 E CA -0.149 56.254 56.400 0.005 0.000 1.033 370 E CB 0.610 30.313 29.700 0.005 0.000 1.095 370 E HN 0.429 nan 8.360 nan 0.000 0.436 371 R N 3.345 123.814 120.500 -0.052 0.000 2.088 371 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 371 R C 0.822 176.978 176.300 -0.239 0.000 1.136 371 R CA 1.258 57.304 56.100 -0.090 0.000 0.926 371 R CB -0.196 30.085 30.300 -0.032 0.000 0.837 371 R HN 0.459 nan 8.270 nan 0.000 0.429 372 N N 2.309 120.674 118.700 -0.559 0.000 2.377 372 N HA -0.158 4.582 4.740 -0.000 0.000 0.299 372 N C -0.884 174.392 175.510 -0.391 0.000 1.251 372 N CA 0.789 53.333 53.050 -0.843 0.000 1.130 372 N CB -0.369 37.117 38.487 -1.668 0.000 1.487 372 N HN 0.461 nan 8.380 nan 0.000 0.490 373 R N -1.600 118.771 120.500 -0.215 0.000 3.110 373 R HA 0.169 4.509 4.340 -0.000 0.000 0.287 373 R C -1.459 174.834 176.300 -0.013 0.000 0.969 373 R CA -0.962 55.086 56.100 -0.085 0.000 0.828 373 R CB 0.157 30.421 30.300 -0.060 0.000 1.354 373 R HN -0.018 nan 8.270 nan 0.000 0.524 374 Q N 0.296 120.114 119.800 0.031 0.000 2.368 374 Q HA 0.405 4.745 4.340 -0.000 0.000 0.237 374 Q C -2.132 173.909 176.000 0.069 0.000 0.987 374 Q CA -1.757 54.090 55.803 0.073 0.000 0.896 374 Q CB 0.576 29.369 28.738 0.091 0.000 1.241 374 Q HN 0.416 nan 8.270 nan 0.000 0.485 375 P HA 0.235 nan 4.420 nan 0.000 0.278 375 P C -2.287 175.056 177.300 0.071 0.000 1.238 375 P CA -1.059 62.101 63.100 0.101 0.000 0.794 375 P CB 0.018 31.819 31.700 0.169 0.000 0.955 376 P HA 0.080 nan 4.420 nan 0.000 0.272 376 P C 0.125 177.428 177.300 0.005 0.000 1.240 376 P CA 0.071 63.191 63.100 0.033 0.000 0.791 376 P CB 0.368 32.092 31.700 0.040 0.000 0.978 377 D N -0.792 119.599 120.400 -0.014 0.000 2.363 377 D HA 0.018 4.658 4.640 -0.000 0.000 0.226 377 D C 0.350 176.614 176.300 -0.060 0.000 1.020 377 D CA 0.794 54.759 54.000 -0.058 0.000 0.892 377 D CB -0.051 40.720 40.800 -0.048 0.000 0.900 377 D HN 0.424 nan 8.370 nan 0.000 0.531 378 S N -2.127 113.563 115.700 -0.017 0.000 2.688 378 S HA 0.546 5.016 4.470 -0.000 0.000 0.266 378 S C -0.044 174.583 174.600 0.046 0.000 1.061 378 S CA -0.485 57.720 58.200 0.008 0.000 0.844 378 S CB 1.662 64.865 63.200 0.006 0.000 1.103 378 S HN 0.460 nan 8.310 nan 0.000 0.471 379 G N 0.770 109.615 108.800 0.074 0.000 2.483 379 G HA2 0.160 4.120 3.960 -0.000 0.000 0.521 379 G HA3 0.160 4.120 3.960 -0.000 0.000 0.521 379 G C -2.640 172.362 174.900 0.171 0.000 1.278 379 G CA -0.043 45.117 45.100 0.100 0.000 0.965 379 G HN 0.783 nan 8.290 nan 0.000 0.504 380 P HA -0.178 nan 4.420 nan 0.000 0.202 380 P C 2.275 179.765 177.300 0.317 0.000 1.121 380 P CA 2.364 65.680 63.100 0.360 0.000 0.939 380 P CB -0.119 31.675 31.700 0.157 0.000 0.761 381 M N -0.869 118.856 119.600 0.208 0.000 2.195 381 M HA -0.306 4.174 4.480 -0.000 0.000 0.254 381 M C 2.128 178.522 176.300 0.156 0.000 1.083 381 M CA 2.045 57.441 55.300 0.161 0.000 1.069 381 M CB -0.855 31.813 32.600 0.114 0.000 1.364 381 M HN 0.113 nan 8.290 nan 0.000 0.403 382 C N 1.144 120.535 119.300 0.153 0.000 2.496 382 C HA -0.159 4.301 4.460 -0.000 0.000 0.281 382 C C 2.180 177.281 174.990 0.186 0.000 1.250 382 C CA 1.697 60.815 59.018 0.167 0.000 1.717 382 C CB -1.173 26.614 27.740 0.079 0.000 2.082 382 C HN 0.655 nan 8.230 nan 0.000 0.472 383 D N 0.757 121.220 120.400 0.105 0.000 2.133 383 D HA -0.166 4.474 4.640 -0.000 0.000 0.195 383 D C 1.913 178.124 176.300 -0.149 0.000 0.997 383 D CA 1.272 55.268 54.000 -0.008 0.000 0.840 383 D CB -0.788 39.963 40.800 -0.082 0.000 0.947 383 D HN 0.428 nan 8.370 nan 0.000 0.452 384 L N 0.175 121.293 121.223 -0.176 0.000 2.263 384 L HA -0.133 4.207 4.340 -0.000 0.000 0.216 384 L C 1.939 178.735 176.870 -0.123 0.000 1.111 384 L CA 1.349 56.059 54.840 -0.216 0.000 0.773 384 L CB -0.147 41.900 42.059 -0.020 0.000 0.906 384 L HN 0.064 nan 8.230 nan 0.000 0.439 385 L N -4.202 117.001 121.223 -0.033 0.000 2.817 385 L HA 0.072 4.412 4.340 -0.000 0.000 0.248 385 L C 0.832 177.471 176.870 -0.384 0.000 1.133 385 L CA -0.166 54.611 54.840 -0.105 0.000 0.935 385 L CB 0.049 42.103 42.059 -0.008 0.000 1.266 385 L HN 0.236 nan 8.230 nan 0.000 0.535 386 W N -0.617 120.510 121.300 -0.288 0.000 2.355 386 W HA 0.169 4.829 4.660 -0.000 0.000 0.303 386 W C 1.256 177.613 176.519 -0.271 0.000 0.939 386 W CA -0.206 56.934 57.345 -0.341 0.000 1.377 386 W CB 0.466 29.883 29.460 -0.071 0.000 1.048 386 W HN -0.101 nan 8.180 nan 0.000 0.542 387 S N 1.070 116.763 115.700 -0.011 0.000 2.580 387 S HA 0.357 4.827 4.470 -0.000 0.000 0.274 387 S C -0.307 174.357 174.600 0.107 0.000 1.329 387 S CA -0.218 58.048 58.200 0.110 0.000 1.036 387 S CB 1.465 64.773 63.200 0.180 0.000 0.919 387 S HN -0.024 nan 8.310 nan 0.000 0.515 388 D N 2.888 123.317 120.400 0.049 0.000 2.350 388 D HA 0.478 5.118 4.640 -0.000 0.000 0.245 388 D C -2.475 173.448 176.300 -0.627 0.000 1.036 388 D CA -1.429 52.486 54.000 -0.142 0.000 0.848 388 D CB 1.934 42.676 40.800 -0.098 0.000 1.307 388 D HN 0.375 nan 8.370 nan 0.000 0.469 389 P HA 0.042 nan 4.420 nan 0.000 0.272 389 P C -0.783 176.173 177.300 -0.573 0.000 1.240 389 P CA -0.208 62.207 63.100 -1.143 0.000 0.791 389 P CB 1.373 32.636 31.700 -0.728 0.000 0.978 390 Q N 1.418 121.035 119.800 -0.305 0.000 2.397 390 Q HA 0.309 4.649 4.340 -0.000 0.000 0.275 390 Q C -2.011 174.056 176.000 0.113 0.000 1.090 390 Q CA -2.195 53.561 55.803 -0.079 0.000 0.809 390 Q CB 2.807 31.511 28.738 -0.057 0.000 1.362 390 Q HN 0.172 nan 8.270 nan 0.000 0.431 391 P HA -0.157 nan 4.420 nan 0.000 0.215 391 P C 0.013 177.357 177.300 0.073 0.000 1.157 391 P CA 1.016 64.164 63.100 0.080 0.000 0.856 391 P CB 0.139 31.856 31.700 0.029 0.000 0.786 392 Q N 0.650 120.478 119.800 0.047 0.000 2.471 392 Q HA 0.103 4.443 4.340 -0.000 0.000 0.223 392 Q C -0.105 175.910 176.000 0.025 0.000 1.045 392 Q CA -0.016 55.807 55.803 0.034 0.000 0.956 392 Q CB 0.046 28.805 28.738 0.035 0.000 1.249 392 Q HN 0.071 nan 8.270 nan 0.000 0.549 393 N N -0.415 118.296 118.700 0.018 0.000 2.530 393 N HA 0.402 5.142 4.740 -0.000 0.000 0.277 393 N C 0.175 175.707 175.510 0.036 0.000 1.168 393 N CA 1.137 54.195 53.050 0.014 0.000 0.979 393 N CB 0.896 39.390 38.487 0.012 0.000 1.141 393 N HN 0.854 nan 8.380 nan 0.000 0.459 394 G N 0.944 109.774 108.800 0.049 0.000 2.758 394 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.686 394 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.686 394 G C -0.237 174.722 174.900 0.098 0.000 1.389 394 G CA -0.753 44.390 45.100 0.071 0.000 0.845 394 G HN 0.497 nan 8.290 nan 0.000 0.572 395 R N -0.294 120.272 120.500 0.109 0.000 2.896 395 R HA 0.807 5.147 4.340 -0.000 0.000 0.283 395 R C 0.565 176.926 176.300 0.101 0.000 1.201 395 R CA 0.317 56.494 56.100 0.127 0.000 1.178 395 R CB 0.017 30.390 30.300 0.121 0.000 1.152 395 R HN 1.111 nan 8.270 nan 0.000 0.590 396 S N -0.867 114.896 115.700 0.105 0.000 2.622 396 S HA 0.245 4.715 4.470 -0.000 0.000 0.275 396 S C -0.805 173.861 174.600 0.109 0.000 1.112 396 S CA -0.799 57.461 58.200 0.100 0.000 0.837 396 S CB 1.146 64.405 63.200 0.100 0.000 1.082 396 S HN 0.317 nan 8.310 nan 0.000 0.456 397 I N 2.464 123.107 120.570 0.122 0.000 2.598 397 I HA 0.109 4.279 4.170 -0.000 0.000 0.284 397 I C 1.182 177.395 176.117 0.159 0.000 1.140 397 I CA 0.374 61.755 61.300 0.135 0.000 1.420 397 I CB 0.609 38.699 38.000 0.150 0.000 1.387 397 I HN 0.666 nan 8.210 nan 0.000 0.553 398 S N 5.609 121.364 115.700 0.091 0.000 2.558 398 S HA 0.004 4.474 4.470 -0.000 0.000 0.288 398 S C 1.358 175.872 174.600 -0.144 0.000 1.318 398 S CA -0.101 58.105 58.200 0.010 0.000 1.056 398 S CB 0.394 63.611 63.200 0.029 0.000 0.853 398 S HN 0.565 nan 8.310 nan 0.000 0.505 399 K N 3.116 123.227 120.400 -0.481 0.000 2.283 399 K HA -0.039 4.281 4.320 -0.000 0.000 0.202 399 K C 2.087 178.242 176.600 -0.742 0.000 1.048 399 K CA 1.084 56.513 56.287 -1.430 0.000 0.948 399 K CB -0.003 31.811 32.500 -1.142 0.000 0.742 399 K HN 0.547 nan 8.250 nan 0.000 0.458 400 R N -0.714 119.610 120.500 -0.293 0.000 2.153 400 R HA 0.011 4.351 4.340 -0.000 0.000 0.218 400 R C 1.411 177.731 176.300 0.033 0.000 1.072 400 R CA 0.904 56.967 56.100 -0.062 0.000 0.990 400 R CB 0.159 30.551 30.300 0.155 0.000 0.889 400 R HN 0.393 nan 8.270 nan 0.000 0.452 401 G N 0.403 109.199 108.800 -0.007 0.000 2.195 401 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.224 401 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.224 401 G C -0.156 174.704 174.900 -0.067 0.000 0.990 401 G CA 0.006 45.111 45.100 0.008 0.000 0.639 401 G HN 0.299 nan 8.290 nan 0.000 0.514 402 V N -0.586 119.258 119.914 -0.116 0.000 2.876 402 V HA 0.842 4.962 4.120 -0.000 0.000 0.312 402 V C 0.680 176.721 176.094 -0.089 0.000 1.085 402 V CA 1.108 63.265 62.300 -0.239 0.000 0.945 402 V CB 1.434 32.836 31.823 -0.703 0.000 1.017 402 V HN 2.267 nan 8.190 nan 0.000 0.428 403 S N 2.997 118.658 115.700 -0.063 0.000 3.251 403 S HA -0.187 4.283 4.470 -0.000 0.000 0.633 403 S C 0.111 174.751 174.600 0.066 0.000 2.788 403 S CA 1.120 59.342 58.200 0.037 0.000 3.086 403 S CB -1.413 61.859 63.200 0.119 0.000 0.327 403 S HN 2.771 nan 8.310 nan 0.000 1.718 404 C N 0.618 119.981 119.300 0.105 0.000 3.307 404 C HA 0.900 5.360 4.460 -0.000 0.000 0.350 404 C C -0.672 174.407 174.990 0.148 0.000 1.549 404 C CA -0.716 58.372 59.018 0.117 0.000 1.396 404 C CB 1.001 28.817 27.740 0.126 0.000 1.970 404 C HN 0.963 nan 8.230 nan 0.000 0.441 405 Q N 0.421 120.294 119.800 0.122 0.000 2.248 405 Q HA 0.757 5.097 4.340 -0.000 0.000 0.263 405 Q C -1.336 174.758 176.000 0.156 0.000 1.007 405 Q CA -0.191 55.642 55.803 0.048 0.000 0.877 405 Q CB 2.175 30.910 28.738 -0.006 0.000 1.315 405 Q HN 0.771 nan 8.270 nan 0.000 0.454 406 F N -2.220 117.769 119.950 0.064 0.000 2.578 406 F HA 0.779 5.306 4.527 -0.000 0.000 0.311 406 F C -0.057 175.810 175.800 0.111 0.000 1.094 406 F CA -1.146 56.898 58.000 0.074 0.000 0.923 406 F CB 0.893 39.926 39.000 0.056 0.000 1.230 406 F HN 0.545 nan 8.300 nan 0.000 0.450 407 G N 1.088 110.001 108.800 0.187 0.000 2.547 407 G HA2 0.501 4.461 3.960 -0.000 0.000 0.291 407 G HA3 0.501 4.461 3.960 -0.000 0.000 0.291 407 G C -1.989 172.722 174.900 -0.315 0.000 1.211 407 G CA -1.846 43.253 45.100 -0.002 0.000 0.950 407 G HN 0.509 nan 8.290 nan 0.000 0.504 408 P HA -0.160 nan 4.420 nan 0.000 0.216 408 P C 0.930 178.085 177.300 -0.241 0.000 1.150 408 P CA 1.838 64.463 63.100 -0.793 0.000 0.837 408 P CB 0.043 31.529 31.700 -0.358 0.000 0.786 409 D N 0.237 120.572 120.400 -0.108 0.000 2.117 409 D HA -0.141 4.499 4.640 -0.000 0.000 0.197 409 D C 1.864 178.184 176.300 0.032 0.000 0.987 409 D CA 0.971 54.963 54.000 -0.013 0.000 0.829 409 D CB -1.577 39.227 40.800 0.006 0.000 0.961 409 D HN 0.064 nan 8.370 nan 0.000 0.460 410 V N 0.504 120.451 119.914 0.055 0.000 2.407 410 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 410 V C 2.507 178.670 176.094 0.115 0.000 1.055 410 V CA 2.108 64.469 62.300 0.103 0.000 1.049 410 V CB -1.011 30.903 31.823 0.152 0.000 0.662 410 V HN 0.333 nan 8.190 nan 0.000 0.455 411 T N -0.428 114.202 114.554 0.127 0.000 2.777 411 T HA -0.209 4.141 4.350 -0.000 0.000 0.266 411 T C 1.950 176.766 174.700 0.193 0.000 1.040 411 T CA 1.737 63.951 62.100 0.190 0.000 1.141 411 T CB -0.152 68.927 68.868 0.351 0.000 0.868 411 T HN 0.446 nan 8.240 nan 0.000 0.444 412 K N 1.059 121.535 120.400 0.126 0.000 2.002 412 K HA -0.053 4.267 4.320 -0.000 0.000 0.209 412 K C 2.530 179.197 176.600 0.112 0.000 1.048 412 K CA 1.197 57.551 56.287 0.112 0.000 0.930 412 K CB -0.386 32.155 32.500 0.068 0.000 0.714 412 K HN 0.251 nan 8.250 nan 0.000 0.438 413 A N 1.258 124.141 122.820 0.105 0.000 1.852 413 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 413 A C 2.039 179.687 177.584 0.108 0.000 1.215 413 A CA 1.927 54.019 52.037 0.090 0.000 0.641 413 A CB -1.272 17.784 19.000 0.093 0.000 0.838 413 A HN 0.527 nan 8.150 nan 0.000 0.450 414 F N 0.519 120.485 119.950 0.026 0.000 2.045 414 F HA -0.279 4.248 4.527 -0.000 0.000 0.297 414 F C 2.090 177.908 175.800 0.030 0.000 1.114 414 F CA 2.270 60.288 58.000 0.030 0.000 1.207 414 F CB -0.439 38.584 39.000 0.038 0.000 0.964 414 F HN 0.195 nan 8.300 nan 0.000 0.486 415 L N -0.084 121.287 121.223 0.245 0.000 1.990 415 L HA -0.291 4.049 4.340 -0.000 0.000 0.213 415 L C 2.477 179.348 176.870 0.002 0.000 1.072 415 L CA 2.101 57.025 54.840 0.140 0.000 0.755 415 L CB -0.873 41.297 42.059 0.185 0.000 0.889 415 L HN 0.260 nan 8.230 nan 0.000 0.432 416 E N -0.194 120.013 120.200 0.012 0.000 2.017 416 E HA -0.284 4.066 4.350 -0.000 0.000 0.193 416 E C 2.032 178.590 176.600 -0.069 0.000 0.997 416 E CA 1.243 57.635 56.400 -0.015 0.000 0.804 416 E CB -0.144 29.559 29.700 0.005 0.000 0.757 416 E HN 0.409 nan 8.360 nan 0.000 0.448 417 E N 0.303 120.442 120.200 -0.101 0.000 2.448 417 E HA -0.178 4.172 4.350 -0.000 0.000 0.203 417 E C 0.797 177.270 176.600 -0.211 0.000 1.046 417 E CA 0.679 56.993 56.400 -0.142 0.000 0.871 417 E CB 0.142 29.753 29.700 -0.148 0.000 0.790 417 E HN 0.170 nan 8.360 nan 0.000 0.545 418 N N 0.089 118.635 118.700 -0.256 0.000 2.143 418 N HA -0.017 4.723 4.740 -0.000 0.000 0.222 418 N C -0.387 175.037 175.510 -0.143 0.000 1.264 418 N CA 0.086 52.978 53.050 -0.263 0.000 0.897 418 N CB 0.680 38.875 38.487 -0.487 0.000 1.092 418 N HN 0.074 nan 8.380 nan 0.000 0.516 419 N N 0.906 119.549 118.700 -0.094 0.000 2.758 419 N HA -0.160 4.579 4.740 -0.000 0.000 0.248 419 N C -1.444 174.049 175.510 -0.029 0.000 1.076 419 N CA 0.446 53.468 53.050 -0.046 0.000 0.696 419 N CB -1.370 37.092 38.487 -0.042 0.000 0.979 419 N HN 0.275 nan 8.380 nan 0.000 0.550 420 L N -0.252 120.960 121.223 -0.019 0.000 2.329 420 L HA 0.421 4.761 4.340 -0.000 0.000 0.279 420 L C 0.961 177.866 176.870 0.058 0.000 1.014 420 L CA -1.040 53.808 54.840 0.013 0.000 0.814 420 L CB 1.433 43.519 42.059 0.044 0.000 1.257 420 L HN 0.028 nan 8.230 nan 0.000 0.424 421 D N 0.948 121.386 120.400 0.064 0.000 2.084 421 D HA -0.030 4.610 4.640 -0.000 0.000 0.199 421 D C -0.429 176.025 176.300 0.258 0.000 0.981 421 D CA 1.886 55.980 54.000 0.157 0.000 0.841 421 D CB 0.085 41.013 40.800 0.214 0.000 0.997 421 D HN 0.490 nan 8.370 nan 0.000 0.454 422 Y N -1.250 119.103 120.300 0.087 0.000 2.705 422 Y HA 0.532 5.082 4.550 -0.000 0.000 0.332 422 Y C -1.402 174.562 175.900 0.108 0.000 1.221 422 Y CA -1.809 56.354 58.100 0.106 0.000 1.059 422 Y CB 0.888 39.401 38.460 0.088 0.000 1.298 422 Y HN -0.100 nan 8.280 nan 0.000 0.459 423 I N 0.460 121.115 120.570 0.143 0.000 2.646 423 I HA 0.726 4.896 4.170 -0.000 0.000 0.299 423 I C -1.422 174.786 176.117 0.150 0.000 1.036 423 I CA -1.208 60.110 61.300 0.030 0.000 1.074 423 I CB 2.375 40.403 38.000 0.047 0.000 1.258 423 I HN 0.635 nan 8.210 nan 0.000 0.430 424 I N 4.705 125.314 120.570 0.065 0.000 2.389 424 I HA 0.503 4.673 4.170 -0.000 0.000 0.288 424 I C -0.626 175.537 176.117 0.077 0.000 0.999 424 I CA -0.575 60.806 61.300 0.135 0.000 1.129 424 I CB 1.616 39.689 38.000 0.122 0.000 1.288 424 I HN 0.732 nan 8.210 nan 0.000 0.444 425 R N 3.544 124.092 120.500 0.081 0.000 2.774 425 R HA 0.743 5.083 4.340 -0.000 0.000 0.272 425 R C -1.022 175.295 176.300 0.028 0.000 1.000 425 R CA -0.750 55.364 56.100 0.024 0.000 0.906 425 R CB 1.269 31.563 30.300 -0.011 0.000 1.227 425 R HN 0.382 nan 8.270 nan 0.000 0.468 426 S N -0.547 115.138 115.700 -0.025 0.000 3.769 426 S HA 0.167 4.637 4.470 -0.000 0.000 0.183 426 S C 0.099 174.660 174.600 -0.064 0.000 0.903 426 S CA 0.404 58.617 58.200 0.023 0.000 1.413 426 S CB -0.584 62.667 63.200 0.086 0.000 0.753 426 S HN 0.995 nan 8.310 nan 0.000 0.773 427 H N 1.138 119.982 119.070 -0.377 0.000 4.492 427 H HA -0.173 4.383 4.556 -0.000 0.000 0.142 427 H C -0.542 174.673 175.328 -0.188 0.000 0.772 427 H CA 1.836 57.613 56.048 -0.452 0.000 1.239 427 H CB -0.922 28.442 29.762 -0.664 0.000 0.868 427 H HN 0.503 nan 8.280 nan 0.000 0.450 428 E N -0.320 119.747 120.200 -0.222 0.000 2.293 428 E HA 0.510 4.860 4.350 -0.000 0.000 0.270 428 E C -0.441 175.589 176.600 -0.950 0.000 0.879 428 E CA -0.558 55.559 56.400 -0.471 0.000 0.756 428 E CB 2.981 32.466 29.700 -0.359 0.000 1.208 428 E HN 0.059 nan 8.360 nan 0.000 0.428 429 V N 2.839 121.984 119.914 -1.280 0.000 2.811 429 V HA 0.167 4.287 4.120 -0.000 0.000 0.302 429 V C 0.056 175.606 176.094 -0.906 0.000 1.063 429 V CA 0.053 61.277 62.300 -1.792 0.000 1.088 429 V CB 0.456 31.618 31.823 -1.100 0.000 0.982 429 V HN 0.540 nan 8.190 nan 0.000 0.485 430 K N 2.211 122.179 120.400 -0.720 0.000 2.581 430 K HA 0.507 4.827 4.320 -0.000 0.000 0.249 430 K C 0.676 177.091 176.600 -0.309 0.000 0.966 430 K CA -0.072 55.966 56.287 -0.415 0.000 0.811 430 K CB 1.863 34.153 32.500 -0.351 0.000 1.223 430 K HN 0.636 nan 8.250 nan 0.000 0.438 431 A N 2.584 125.242 122.820 -0.271 0.000 1.909 431 A HA -0.222 4.098 4.320 -0.000 0.000 0.221 431 A C 1.162 178.611 177.584 -0.225 0.000 1.223 431 A CA 1.754 53.658 52.037 -0.221 0.000 0.658 431 A CB -0.174 18.700 19.000 -0.211 0.000 0.831 431 A HN 0.684 nan 8.150 nan 0.000 0.462 432 E N -1.161 118.858 120.200 -0.301 0.000 2.403 432 E HA 0.252 4.602 4.350 -0.000 0.000 0.187 432 E C 1.311 177.709 176.600 -0.336 0.000 1.073 432 E CA 0.661 56.852 56.400 -0.349 0.000 0.888 432 E CB -0.337 29.062 29.700 -0.502 0.000 1.035 432 E HN 0.865 nan 8.360 nan 0.000 0.471 433 G N 1.287 109.953 108.800 -0.222 0.000 2.284 433 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.261 433 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.261 433 G C 0.159 175.067 174.900 0.013 0.000 0.997 433 G CA 1.114 46.172 45.100 -0.070 0.000 0.621 433 G HN 0.436 nan 8.290 nan 0.000 0.534 434 Y N -2.092 118.061 120.300 -0.244 0.000 2.750 434 Y HA 0.818 5.368 4.550 -0.000 0.000 0.335 434 Y C -0.888 174.781 175.900 -0.385 0.000 1.252 434 Y CA -0.849 57.051 58.100 -0.333 0.000 1.064 434 Y CB 0.905 38.985 38.460 -0.633 0.000 1.321 434 Y HN 0.321 nan 8.280 nan 0.000 0.451 435 E N 1.043 121.169 120.200 -0.124 0.000 2.381 435 E HA 0.566 4.916 4.350 -0.000 0.000 0.286 435 E C -2.319 174.275 176.600 -0.010 0.000 0.960 435 E CA -0.835 55.460 56.400 -0.174 0.000 0.793 435 E CB 2.838 32.413 29.700 -0.210 0.000 1.225 435 E HN 0.666 nan 8.360 nan 0.000 0.420 436 V N 2.521 122.436 119.914 0.003 0.000 2.384 436 V HA 0.822 4.942 4.120 -0.000 0.000 0.287 436 V C -0.073 176.016 176.094 -0.008 0.000 1.020 436 V CA -0.155 62.180 62.300 0.058 0.000 0.850 436 V CB 0.838 32.733 31.823 0.119 0.000 0.987 436 V HN 0.739 nan 8.190 nan 0.000 0.436 437 A N 2.790 125.590 122.820 -0.034 0.000 2.486 437 A HA 0.809 5.129 4.320 -0.000 0.000 0.289 437 A C -0.057 177.544 177.584 0.028 0.000 1.176 437 A CA -0.685 51.307 52.037 -0.075 0.000 0.757 437 A CB 0.750 19.601 19.000 -0.248 0.000 1.337 437 A HN 1.093 nan 8.150 nan 0.000 0.423 438 H N -0.633 118.461 119.070 0.040 0.000 2.748 438 H HA -0.195 4.361 4.556 -0.000 0.000 0.322 438 H C 1.409 176.777 175.328 0.066 0.000 1.208 438 H CA 0.880 56.967 56.048 0.065 0.000 1.151 438 H CB -1.252 28.575 29.762 0.108 0.000 1.505 438 H HN 2.328 nan 8.280 nan 0.000 0.429 439 G N -0.877 108.016 108.800 0.154 0.000 2.270 439 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.268 439 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.268 439 G C 1.177 176.123 174.900 0.078 0.000 0.982 439 G CA 1.342 46.500 45.100 0.097 0.000 0.628 439 G HN 1.762 nan 8.290 nan 0.000 0.544 440 G N -1.638 107.220 108.800 0.096 0.000 2.198 440 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.156 440 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.156 440 G C 0.772 175.716 174.900 0.073 0.000 1.012 440 G CA 0.917 46.043 45.100 0.043 0.000 0.692 440 G HN 0.770 nan 8.290 nan 0.000 0.492 441 R N -0.908 119.701 120.500 0.183 0.000 2.161 441 R HA 0.255 4.595 4.340 -0.000 0.000 0.213 441 R C 0.802 177.297 176.300 0.324 0.000 1.055 441 R CA 1.045 57.314 56.100 0.281 0.000 0.996 441 R CB 0.306 30.770 30.300 0.274 0.000 0.901 441 R HN 0.370 nan 8.270 nan 0.000 0.456 442 C N 1.521 120.965 119.300 0.240 0.000 2.293 442 C HA 0.503 4.963 4.460 -0.000 0.000 0.323 442 C C -0.369 174.687 174.990 0.110 0.000 1.240 442 C CA -0.656 58.460 59.018 0.164 0.000 1.497 442 C CB 0.304 28.032 27.740 -0.019 0.000 2.171 442 C HN 0.014 nan 8.230 nan 0.000 0.465 443 V N 6.179 126.214 119.914 0.201 0.000 2.417 443 V HA 0.500 4.620 4.120 -0.000 0.000 0.291 443 V C 0.402 176.603 176.094 0.178 0.000 1.024 443 V CA -0.006 62.428 62.300 0.223 0.000 0.861 443 V CB 2.277 34.312 31.823 0.354 0.000 0.985 443 V HN 0.914 nan 8.190 nan 0.000 0.436 444 T N 4.664 119.294 114.554 0.127 0.000 2.771 444 T HA 0.513 4.863 4.350 -0.000 0.000 0.281 444 T C -0.691 174.103 174.700 0.156 0.000 0.982 444 T CA -0.223 61.928 62.100 0.087 0.000 0.978 444 T CB 1.535 70.389 68.868 -0.023 0.000 0.930 444 T HN 0.423 nan 8.240 nan 0.000 0.447 445 V N 5.194 125.220 119.914 0.186 0.000 2.487 445 V HA 0.723 4.843 4.120 -0.000 0.000 0.298 445 V C -1.652 174.592 176.094 0.249 0.000 1.028 445 V CA -0.849 61.594 62.300 0.239 0.000 0.860 445 V CB 1.231 33.203 31.823 0.248 0.000 0.991 445 V HN 0.821 nan 8.190 nan 0.000 0.427 446 F N 4.365 124.334 119.950 0.031 0.000 2.477 446 F HA 0.535 5.062 4.527 -0.000 0.000 0.335 446 F C 0.862 176.677 175.800 0.024 0.000 1.130 446 F CA -0.127 57.858 58.000 -0.025 0.000 0.948 446 F CB 2.589 41.518 39.000 -0.119 0.000 1.154 446 F HN 0.434 nan 8.300 nan 0.000 0.439 447 S N 3.808 119.363 115.700 -0.241 0.000 2.582 447 S HA 0.412 4.882 4.470 -0.000 0.000 0.234 447 S C 0.225 174.765 174.600 -0.099 0.000 0.961 447 S CA 0.026 58.224 58.200 -0.003 0.000 0.953 447 S CB 0.090 63.375 63.200 0.142 0.000 0.800 447 S HN 0.610 nan 8.310 nan 0.000 0.471 448 A N 3.814 126.374 122.820 -0.433 0.000 2.399 448 A HA 0.568 4.888 4.320 -0.000 0.000 0.327 448 A C -2.796 174.767 177.584 -0.035 0.000 1.367 448 A CA -1.861 50.055 52.037 -0.202 0.000 0.842 448 A CB 0.472 19.340 19.000 -0.219 0.000 1.142 448 A HN 0.094 nan 8.150 nan 0.000 0.495 449 P HA 0.040 nan 4.420 nan 0.000 0.276 449 P C 0.110 177.436 177.300 0.044 0.000 1.230 449 P CA 0.095 63.145 63.100 -0.084 0.000 0.776 449 P CB 0.520 32.089 31.700 -0.218 0.000 0.888 450 N N 2.066 120.806 118.700 0.067 0.000 2.738 450 N HA -0.273 4.467 4.740 -0.000 0.000 0.249 450 N C 0.866 176.480 175.510 0.172 0.000 1.047 450 N CA 0.008 53.114 53.050 0.093 0.000 0.707 450 N CB -1.033 37.492 38.487 0.064 0.000 0.937 450 N HN 0.590 nan 8.380 nan 0.000 0.545 451 Y N -0.455 119.899 120.300 0.090 0.000 2.031 451 Y HA -0.464 4.086 4.550 -0.000 0.000 0.169 451 Y C 1.122 177.056 175.900 0.057 0.000 1.168 451 Y CA 2.294 60.474 58.100 0.134 0.000 0.813 451 Y CB -0.486 38.072 38.460 0.164 0.000 0.648 451 Y HN 0.516 nan 8.280 nan 0.000 0.607 452 C N 1.848 121.068 119.300 -0.133 0.000 2.987 452 C HA 0.202 4.662 4.460 -0.000 0.000 0.262 452 C C -0.293 174.667 174.990 -0.050 0.000 1.531 452 C CA -0.496 58.384 59.018 -0.229 0.000 1.571 452 C CB -0.873 26.607 27.740 -0.432 0.000 2.381 452 C HN 0.679 nan 8.230 nan 0.000 0.519 453 D N 1.675 122.091 120.400 0.026 0.000 2.931 453 D HA -0.243 4.397 4.640 -0.000 0.000 0.228 453 D C 1.266 177.599 176.300 0.054 0.000 1.180 453 D CA 1.980 56.027 54.000 0.079 0.000 0.784 453 D CB -0.605 40.278 40.800 0.138 0.000 1.093 453 D HN 0.890 nan 8.370 nan 0.000 0.421 454 Q N -2.791 117.033 119.800 0.039 0.000 2.427 454 Q HA 0.177 4.517 4.340 -0.000 0.000 0.249 454 Q C 1.782 177.807 176.000 0.041 0.000 0.783 454 Q CA -0.491 55.334 55.803 0.036 0.000 0.978 454 Q CB -0.406 28.351 28.738 0.032 0.000 1.273 454 Q HN 0.089 nan 8.270 nan 0.000 0.524 455 M N 1.819 121.465 119.600 0.077 0.000 2.213 455 M HA 0.118 4.598 4.480 -0.000 0.000 0.263 455 M C 1.265 177.572 176.300 0.012 0.000 1.062 455 M CA 2.185 57.528 55.300 0.072 0.000 1.105 455 M CB -0.656 32.037 32.600 0.155 0.000 1.385 455 M HN 0.635 nan 8.290 nan 0.000 0.417 456 G N 1.368 110.182 108.800 0.023 0.000 2.225 456 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.267 456 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.267 456 G C -0.009 174.873 174.900 -0.030 0.000 1.024 456 G CA 0.504 45.600 45.100 -0.007 0.000 0.784 456 G HN 0.691 nan 8.290 nan 0.000 0.507 457 N N -0.314 118.374 118.700 -0.019 0.000 2.493 457 N HA 0.427 5.167 4.740 -0.000 0.000 0.275 457 N C 0.177 175.643 175.510 -0.072 0.000 1.186 457 N CA -0.363 52.652 53.050 -0.059 0.000 0.978 457 N CB 1.295 39.746 38.487 -0.060 0.000 1.184 457 N HN 0.329 nan 8.380 nan 0.000 0.487 458 K N -0.059 120.273 120.400 -0.113 0.000 2.102 458 K HA 0.572 4.892 4.320 -0.000 0.000 0.244 458 K C -0.303 176.178 176.600 -0.198 0.000 1.021 458 K CA -0.707 55.486 56.287 -0.157 0.000 0.913 458 K CB 0.939 33.356 32.500 -0.138 0.000 1.062 458 K HN 0.752 nan 8.250 nan 0.000 0.485 459 A N 0.407 122.984 122.820 -0.405 0.000 2.435 459 A HA 0.726 5.046 4.320 -0.000 0.000 0.296 459 A C -1.039 176.340 177.584 -0.343 0.000 1.147 459 A CA -0.570 51.178 52.037 -0.482 0.000 0.775 459 A CB 1.564 19.944 19.000 -1.033 0.000 1.340 459 A HN 0.682 nan 8.150 nan 0.000 0.427 460 S N -0.992 114.736 115.700 0.046 0.000 2.565 460 S HA 0.755 5.225 4.470 -0.000 0.000 0.269 460 S C -1.242 173.626 174.600 0.447 0.000 1.153 460 S CA -0.569 57.805 58.200 0.290 0.000 0.835 460 S CB 0.960 64.309 63.200 0.247 0.000 1.122 460 S HN 1.775 nan 8.310 nan 0.000 0.462 461 Y N -0.134 120.375 120.300 0.348 0.000 2.512 461 Y HA 0.852 5.402 4.550 -0.000 0.000 0.348 461 Y C -0.941 175.040 175.900 0.135 0.000 0.990 461 Y CA -1.536 56.669 58.100 0.176 0.000 1.033 461 Y CB 0.736 39.222 38.460 0.043 0.000 1.259 461 Y HN 0.725 nan 8.280 nan 0.000 0.461 462 I N 3.335 124.050 120.570 0.242 0.000 2.488 462 I HA 0.260 4.430 4.170 -0.000 0.000 0.299 462 I C -0.645 175.604 176.117 0.219 0.000 0.984 462 I CA -0.832 60.526 61.300 0.096 0.000 1.250 462 I CB 0.919 38.914 38.000 -0.008 0.000 1.389 462 I HN 0.633 nan 8.210 nan 0.000 0.488 463 H N 5.134 124.220 119.070 0.027 0.000 2.511 463 H HA 0.521 5.077 4.556 -0.000 0.000 0.328 463 H C -1.176 174.120 175.328 -0.052 0.000 1.044 463 H CA -0.614 55.450 56.048 0.026 0.000 1.212 463 H CB 1.403 31.238 29.762 0.121 0.000 1.428 463 H HN 0.182 nan 8.280 nan 0.000 0.483 464 L N 3.479 124.715 121.223 0.021 0.000 2.333 464 L HA 0.370 4.710 4.340 -0.000 0.000 0.280 464 L C -0.260 176.581 176.870 -0.048 0.000 1.004 464 L CA -0.509 54.324 54.840 -0.012 0.000 0.820 464 L CB 1.749 43.807 42.059 -0.000 0.000 1.247 464 L HN 0.627 nan 8.230 nan 0.000 0.416 465 Q N 1.255 121.033 119.800 -0.036 0.000 2.312 465 Q HA 0.529 4.869 4.340 -0.000 0.000 0.263 465 Q C 1.034 177.020 176.000 -0.023 0.000 0.995 465 Q CA 0.145 55.920 55.803 -0.045 0.000 0.853 465 Q CB 1.908 30.620 28.738 -0.042 0.000 1.300 465 Q HN 0.807 nan 8.270 nan 0.000 0.448 466 G N 1.060 109.845 108.800 -0.024 0.000 2.476 466 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 466 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 466 G C 1.226 176.123 174.900 -0.005 0.000 1.164 466 G CA 1.203 46.296 45.100 -0.011 0.000 0.768 466 G HN 0.738 nan 8.290 nan 0.000 0.560 467 S N -1.039 114.656 115.700 -0.009 0.000 2.447 467 S HA 0.011 4.481 4.470 -0.000 0.000 0.233 467 S C 0.674 175.274 174.600 -0.001 0.000 1.006 467 S CA 1.151 59.348 58.200 -0.005 0.000 0.957 467 S CB 0.241 63.436 63.200 -0.008 0.000 0.773 467 S HN 0.260 nan 8.310 nan 0.000 0.507 468 D N 0.441 120.840 120.400 -0.002 0.000 2.381 468 D HA 0.233 4.873 4.640 -0.000 0.000 0.245 468 D C -0.080 176.226 176.300 0.009 0.000 1.297 468 D CA -0.478 53.523 54.000 0.002 0.000 0.931 468 D CB 0.555 41.349 40.800 -0.010 0.000 1.334 468 D HN -0.019 nan 8.370 nan 0.000 0.535 469 L N 1.984 123.230 121.223 0.038 0.000 2.821 469 L HA 0.098 4.438 4.340 -0.000 0.000 0.254 469 L C 1.093 178.039 176.870 0.126 0.000 1.151 469 L CA 0.517 55.406 54.840 0.081 0.000 0.937 469 L CB -1.580 40.540 42.059 0.103 0.000 1.141 469 L HN 0.224 nan 8.230 nan 0.000 0.425 470 R N 2.316 122.826 120.500 0.018 0.000 2.442 470 R HA 0.158 4.498 4.340 -0.000 0.000 0.291 470 R C -2.022 174.184 176.300 -0.156 0.000 1.069 470 R CA -1.216 54.833 56.100 -0.086 0.000 1.022 470 R CB 0.549 30.792 30.300 -0.096 0.000 0.976 470 R HN -0.027 nan 8.270 nan 0.000 0.443 471 P HA -0.028 nan 4.420 nan 0.000 0.271 471 P C -1.315 175.573 177.300 -0.687 0.000 1.233 471 P CA 0.244 63.032 63.100 -0.519 0.000 0.764 471 P CB 0.832 32.072 31.700 -0.767 0.000 0.825 472 Q N 3.091 122.590 119.800 -0.501 0.000 2.509 472 Q HA 0.304 4.644 4.340 -0.000 0.000 0.236 472 Q C -0.501 175.193 176.000 -0.509 0.000 1.073 472 Q CA -0.601 54.959 55.803 -0.405 0.000 0.867 472 Q CB 0.233 28.907 28.738 -0.107 0.000 1.181 472 Q HN 0.390 nan 8.270 nan 0.000 0.526 473 F N 1.924 121.622 119.950 -0.420 0.000 2.529 473 F HA 0.105 4.632 4.527 -0.000 0.000 0.365 473 F C 0.876 176.333 175.800 -0.572 0.000 1.102 473 F CA 0.203 57.882 58.000 -0.536 0.000 1.271 473 F CB 0.514 38.929 39.000 -0.975 0.000 1.120 473 F HN 0.361 nan 8.300 nan 0.000 0.579 474 H N 2.886 121.800 119.070 -0.260 0.000 2.823 474 H HA 0.252 4.808 4.556 -0.000 0.000 0.332 474 H C -0.738 174.391 175.328 -0.330 0.000 0.980 474 H CA -0.642 55.134 56.048 -0.453 0.000 1.286 474 H CB 1.496 30.627 29.762 -1.052 0.000 1.541 474 H HN 0.629 nan 8.280 nan 0.000 0.521 475 Q N 3.131 122.937 119.800 0.010 0.000 2.235 475 Q HA 0.425 4.765 4.340 -0.000 0.000 0.250 475 Q C -0.542 175.585 176.000 0.212 0.000 0.909 475 Q CA -0.656 55.204 55.803 0.095 0.000 0.910 475 Q CB 1.894 30.668 28.738 0.060 0.000 1.223 475 Q HN 0.477 nan 8.270 nan 0.000 0.432 476 F N -2.068 117.902 119.950 0.033 0.000 2.629 476 F HA 0.840 5.367 4.527 -0.000 0.000 0.316 476 F C -0.436 175.402 175.800 0.063 0.000 1.081 476 F CA -0.886 57.158 58.000 0.073 0.000 0.954 476 F CB 1.868 40.957 39.000 0.147 0.000 1.337 476 F HN 0.374 nan 8.300 nan 0.000 0.474 477 T N -0.226 114.407 114.554 0.131 0.000 2.724 477 T HA 0.623 4.973 4.350 -0.000 0.000 0.274 477 T C 0.950 175.687 174.700 0.061 0.000 0.984 477 T CA 0.064 62.161 62.100 -0.004 0.000 1.024 477 T CB 1.173 70.052 68.868 0.019 0.000 1.320 477 T HN 1.311 nan 8.240 nan 0.000 0.555 478 A N 0.500 123.340 122.820 0.033 0.000 2.623 478 A HA -0.120 4.200 4.320 -0.000 0.000 0.260 478 A C 0.775 178.423 177.584 0.107 0.000 1.768 478 A CA 2.265 54.340 52.037 0.064 0.000 1.052 478 A CB -1.839 17.197 19.000 0.061 0.000 0.464 478 A HN 1.838 nan 8.150 nan 0.000 0.414 479 V N -0.564 119.417 119.914 0.112 0.000 3.344 479 V HA -0.102 4.018 4.120 -0.000 0.000 0.473 479 V C -2.089 174.089 176.094 0.141 0.000 0.682 479 V CA 0.102 62.477 62.300 0.124 0.000 2.007 479 V CB -1.537 30.372 31.823 0.144 0.000 2.460 479 V HN 1.036 nan 8.190 nan 0.000 0.499 480 P HA 0.243 nan 4.420 nan 0.000 0.267 480 P C -0.721 176.622 177.300 0.073 0.000 1.200 480 P CA 0.278 63.437 63.100 0.099 0.000 0.772 480 P CB 0.587 32.304 31.700 0.028 0.000 0.855 481 H N 1.164 120.133 119.070 -0.169 0.000 2.851 481 H HA 0.489 5.045 4.556 -0.000 0.000 0.372 481 H C -2.541 172.580 175.328 -0.345 0.000 1.158 481 H CA -2.367 53.389 56.048 -0.487 0.000 1.159 481 H CB 0.410 29.957 29.762 -0.358 0.000 1.757 481 H HN 0.225 nan 8.280 nan 0.000 0.546 482 P HA -0.098 nan 4.420 nan 0.000 0.272 482 P C 0.486 177.683 177.300 -0.171 0.000 1.239 482 P CA -0.248 62.710 63.100 -0.238 0.000 0.807 482 P CB 1.037 32.685 31.700 -0.087 0.000 0.951 483 N N -0.854 117.795 118.700 -0.085 0.000 2.260 483 N HA 0.099 4.839 4.740 -0.000 0.000 0.270 483 N C -0.560 174.969 175.510 0.030 0.000 1.281 483 N CA 0.192 53.197 53.050 -0.074 0.000 0.918 483 N CB -0.068 38.386 38.487 -0.056 0.000 1.028 483 N HN 0.274 nan 8.380 nan 0.000 0.482 484 V N 0.159 120.073 119.914 -0.001 0.000 3.136 484 V HA -0.178 3.942 4.120 -0.000 0.000 0.448 484 V C -0.392 175.720 176.094 0.031 0.000 0.682 484 V CA -0.045 62.243 62.300 -0.020 0.000 1.979 484 V CB -1.073 30.701 31.823 -0.081 0.000 2.455 484 V HN 0.688 nan 8.190 nan 0.000 0.492 485 K N 6.261 126.665 120.400 0.006 0.000 2.230 485 K HA 0.427 4.747 4.320 -0.000 0.000 0.253 485 K C -1.948 174.677 176.600 0.041 0.000 1.008 485 K CA -1.106 55.206 56.287 0.042 0.000 0.910 485 K CB 0.470 32.975 32.500 0.009 0.000 0.994 485 K HN 0.529 nan 8.250 nan 0.000 0.495 486 P HA -0.076 nan 4.420 nan 0.000 0.268 486 P C -0.497 176.821 177.300 0.030 0.000 1.204 486 P CA 0.432 63.552 63.100 0.034 0.000 0.768 486 P CB 0.452 32.149 31.700 -0.007 0.000 0.842 487 M N 0.523 120.161 119.600 0.064 0.000 2.298 487 M HA -0.238 4.242 4.480 -0.000 0.000 0.196 487 M C 0.822 177.157 176.300 0.059 0.000 0.531 487 M CA 0.593 55.953 55.300 0.100 0.000 0.459 487 M CB -1.915 30.735 32.600 0.085 0.000 1.279 487 M HN 0.500 nan 8.290 nan 0.000 0.915 488 A N -1.072 121.776 122.820 0.047 0.000 2.167 488 A HA 0.138 4.458 4.320 -0.000 0.000 0.214 488 A C 0.509 177.865 177.584 -0.380 0.000 1.151 488 A CA 1.085 53.010 52.037 -0.186 0.000 0.735 488 A CB 0.015 18.832 19.000 -0.305 0.000 0.802 488 A HN 0.639 nan 8.150 nan 0.000 0.467 489 Y N -1.613 118.652 120.300 -0.058 0.000 2.719 489 Y HA 0.613 5.163 4.550 -0.000 0.000 0.335 489 Y C 0.915 176.786 175.900 -0.048 0.000 1.198 489 Y CA -1.181 56.883 58.100 -0.061 0.000 1.274 489 Y CB -0.136 38.285 38.460 -0.066 0.000 1.500 489 Y HN 0.507 nan 8.280 nan 0.000 0.616 490 A N 0.767 123.654 122.820 0.112 0.000 2.435 490 A HA -0.192 4.128 4.320 -0.000 0.000 0.686 490 A C -0.185 177.387 177.584 -0.021 0.000 0.139 490 A CA -0.091 51.960 52.037 0.024 0.000 0.032 490 A CB -1.893 17.126 19.000 0.033 0.000 3.974 490 A HN 1.132 nan 8.150 nan 0.000 0.548 491 N N 0.976 119.647 118.700 -0.049 0.000 2.283 491 N HA 0.256 4.996 4.740 -0.000 0.000 0.236 491 N C 1.008 176.488 175.510 -0.051 0.000 1.252 491 N CA 0.579 53.591 53.050 -0.062 0.000 0.856 491 N CB 0.035 38.473 38.487 -0.082 0.000 1.099 491 N HN 1.428 nan 8.380 nan 0.000 0.444 492 T N -1.505 113.018 114.554 -0.050 0.000 3.228 492 T HA -0.021 4.329 4.350 -0.000 0.000 0.261 492 T C 1.269 175.960 174.700 -0.015 0.000 1.171 492 T CA 0.332 62.411 62.100 -0.033 0.000 1.056 492 T CB -0.549 68.298 68.868 -0.035 0.000 0.938 492 T HN 0.497 nan 8.240 nan 0.000 0.539 493 L N -0.561 120.647 121.223 -0.024 0.000 2.109 493 L HA 0.148 4.488 4.340 -0.000 0.000 0.207 493 L C 2.136 179.028 176.870 0.037 0.000 1.086 493 L CA 0.968 55.812 54.840 0.005 0.000 0.760 493 L CB -0.242 41.796 42.059 -0.034 0.000 0.910 493 L HN 0.326 nan 8.230 nan 0.000 0.437 494 L N -1.308 119.920 121.223 0.008 0.000 2.509 494 L HA -0.019 4.321 4.340 -0.000 0.000 0.222 494 L C 2.282 179.184 176.870 0.054 0.000 1.123 494 L CA 0.481 55.339 54.840 0.030 0.000 0.856 494 L CB -0.242 41.804 42.059 -0.021 0.000 0.985 494 L HN 0.186 nan 8.230 nan 0.000 0.456 495 Q N 0.046 119.866 119.800 0.034 0.000 2.245 495 Q HA 0.063 4.403 4.340 -0.000 0.000 0.201 495 Q C 0.704 176.727 176.000 0.038 0.000 0.955 495 Q CA 0.750 56.571 55.803 0.030 0.000 0.870 495 Q CB 0.207 28.949 28.738 0.007 0.000 0.945 495 Q HN 0.473 nan 8.270 nan 0.000 0.461 496 L N -0.207 121.043 121.223 0.045 0.000 3.048 496 L HA 0.405 4.745 4.340 -0.000 0.000 0.234 496 L C 0.620 177.538 176.870 0.080 0.000 1.318 496 L CA -0.195 54.675 54.840 0.051 0.000 1.109 496 L CB 0.597 42.678 42.059 0.038 0.000 1.480 496 L HN 0.198 nan 8.230 nan 0.000 0.495 497 G N -0.917 107.938 108.800 0.092 0.000 4.452 497 G HA2 0.152 4.112 3.960 -0.000 0.000 0.157 497 G HA3 0.152 4.112 3.960 -0.000 0.000 0.157 497 G C 0.426 175.401 174.900 0.126 0.000 0.823 497 G CA 0.727 45.898 45.100 0.118 0.000 0.808 497 G HN 0.143 nan 8.290 nan 0.000 0.443 498 M N -0.787 118.878 119.600 0.109 0.000 2.211 498 M HA 0.842 5.322 4.480 -0.000 0.000 0.338 498 M C 1.019 177.347 176.300 0.046 0.000 0.893 498 M CA 1.443 56.803 55.300 0.100 0.000 1.096 498 M CB -0.381 32.316 32.600 0.161 0.000 1.923 498 M HN 1.010 nan 8.290 nan 0.000 0.656 499 M N 0.000 119.629 119.600 0.049 0.000 2.572 499 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 499 M CA 0.000 55.315 55.300 0.026 0.000 0.988 499 M CB 0.000 32.613 32.600 0.021 0.000 1.302 499 M HN 0.000 nan 8.290 nan 0.000 0.411