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 2xd1_1_A DATA FIRST_RESID 104 DATA SEQUENCE SISEITYSDG TVIASIXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXDYLYFTT LAEAQERMYD DATA SEQUENCE YLAQRDNVSA KELKNEATQK FYRDLAAKEI ENGGYKITTT IDQKIHSAMQ DATA SEQUENCE SAVADYGYLL DDGTGRVEVG NVLMDNQTGA ILGFVGGRNY QENQNNHAFD DATA SEQUENCE TKRSPASTTK PLLAYGIAID QGLMGSETIL SNYPTNFANG NPIMYANSKG DATA SEQUENCE TGMMTLGEAL NYSWNIPAYW TYRMLRENGV DVKGYMEKMG YEIPEYGIES DATA SEQUENCE LPMGGGIEVT VAQHTNGYQT LANNGVYHQK HVISKIEAAD GRVVYEYQDK DATA SEQUENCE PVQVYSKATA TIMQGLLREV LSSRVTTTFK SNLTSLNPTL ANADWIGKTG DATA SEQUENCE TTNQDENMWL MLSTPRLTLG GWIGHDDNHS LSQQAGYSNN SNYMAHLVNA DATA SEQUENCE IQQASPSIWG NERFALDPSV VKSEVLKSTG QKPGKVSVEG KEVEVTGSTV DATA SEQUENCE TSYWANKSGA PATSYRFAIG GSDADYQNAW SSIVGS 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 104 S HA 0.000 nan 4.470 nan 0.000 0.327 104 S C 0.000 174.588 174.600 -0.020 0.000 1.055 104 S CA 0.000 58.187 58.200 -0.022 0.000 1.107 104 S CB 0.000 63.183 63.200 -0.028 0.000 0.593 105 I N 1.893 122.456 120.570 -0.012 0.000 2.525 105 I HA 0.541 4.711 4.170 -0.000 0.000 0.301 105 I C 1.044 177.166 176.117 0.008 0.000 0.992 105 I CA -0.476 60.823 61.300 -0.002 0.000 1.162 105 I CB 1.839 39.840 38.000 0.002 0.000 1.332 105 I HN 0.939 nan 8.210 nan 0.000 0.458 106 S N 4.562 120.280 115.700 0.030 0.000 2.561 106 S HA 0.062 4.532 4.470 -0.000 0.000 0.294 106 S C -0.196 174.436 174.600 0.053 0.000 1.294 106 S CA 0.089 58.329 58.200 0.067 0.000 1.055 106 S CB 0.025 63.298 63.200 0.122 0.000 0.819 106 S HN 0.572 nan 8.310 nan 0.000 0.503 107 E N 1.803 122.036 120.200 0.055 0.000 2.413 107 E HA 0.584 4.934 4.350 -0.000 0.000 0.277 107 E C -1.471 175.139 176.600 0.015 0.000 0.958 107 E CA -0.880 55.540 56.400 0.032 0.000 0.779 107 E CB 0.917 30.628 29.700 0.018 0.000 1.278 107 E HN 0.413 nan 8.360 nan 0.000 0.456 108 I N 1.055 121.618 120.570 -0.012 0.000 2.377 108 I HA 0.460 4.630 4.170 -0.000 0.000 0.293 108 I C -0.198 175.862 176.117 -0.095 0.000 0.987 108 I CA -0.644 60.618 61.300 -0.062 0.000 1.185 108 I CB 1.829 39.766 38.000 -0.105 0.000 1.341 108 I HN 0.615 nan 8.210 nan 0.000 0.455 109 T N 2.006 116.507 114.554 -0.089 0.000 2.876 109 T HA 0.546 4.896 4.350 -0.000 0.000 0.289 109 T C -0.303 174.338 174.700 -0.099 0.000 1.014 109 T CA -0.615 61.440 62.100 -0.075 0.000 0.986 109 T CB 0.807 69.682 68.868 0.012 0.000 1.021 109 T HN 0.267 nan 8.240 nan 0.000 0.458 110 Y N 2.030 122.323 120.300 -0.012 0.000 2.812 110 Y HA 0.040 4.590 4.550 -0.000 0.000 0.348 110 Y C 2.455 178.349 175.900 -0.010 0.000 1.274 110 Y CA 1.042 59.132 58.100 -0.017 0.000 1.489 110 Y CB 0.265 38.717 38.460 -0.014 0.000 1.348 110 Y HN 0.965 nan 8.280 nan 0.000 0.646 111 S N -0.513 115.288 115.700 0.168 0.000 2.399 111 S HA -0.228 4.242 4.470 -0.000 0.000 0.231 111 S C 1.432 176.075 174.600 0.070 0.000 1.022 111 S CA 1.247 59.498 58.200 0.086 0.000 0.983 111 S CB -0.611 62.622 63.200 0.055 0.000 0.803 111 S HN 0.856 nan 8.310 nan 0.000 0.480 112 D N 1.715 122.161 120.400 0.077 0.000 2.092 112 D HA 0.137 4.777 4.640 -0.000 0.000 0.193 112 D C 1.621 177.953 176.300 0.053 0.000 0.994 112 D CA 1.763 55.790 54.000 0.045 0.000 0.828 112 D CB -0.935 39.874 40.800 0.015 0.000 0.963 112 D HN 0.633 nan 8.370 nan 0.000 0.450 113 G N -2.173 106.678 108.800 0.085 0.000 3.859 113 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.220 113 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.220 113 G C 0.103 175.059 174.900 0.094 0.000 0.892 113 G CA 0.080 45.223 45.100 0.072 0.000 0.858 113 G HN 0.374 nan 8.290 nan 0.000 0.625 114 T N 1.957 116.597 114.554 0.143 0.000 2.934 114 T HA 0.377 4.726 4.350 -0.000 0.000 0.306 114 T C 0.606 175.430 174.700 0.206 0.000 1.042 114 T CA 0.156 62.363 62.100 0.178 0.000 1.145 114 T CB 2.156 71.135 68.868 0.185 0.000 0.982 114 T HN 0.219 nan 8.240 nan 0.000 0.544 115 V N 5.568 125.554 119.914 0.120 0.000 2.427 115 V HA 0.118 4.238 4.120 -0.000 0.000 0.268 115 V C 1.458 177.572 176.094 0.034 0.000 1.046 115 V CA -0.072 62.256 62.300 0.048 0.000 0.970 115 V CB 0.214 32.054 31.823 0.029 0.000 1.001 115 V HN 0.806 nan 8.190 nan 0.000 0.476 116 I N 3.839 124.345 120.570 -0.107 0.000 2.087 116 I HA 0.046 4.216 4.170 -0.000 0.000 0.231 116 I C 1.255 177.335 176.117 -0.061 0.000 1.058 116 I CA 1.804 62.988 61.300 -0.194 0.000 1.328 116 I CB 0.027 37.771 38.000 -0.427 0.000 1.079 116 I HN 0.715 nan 8.210 nan 0.000 0.397 117 A N -0.751 122.043 122.820 -0.043 0.000 2.435 117 A HA 0.702 5.021 4.320 -0.000 0.000 0.296 117 A C -0.560 177.020 177.584 -0.008 0.000 1.147 117 A CA -0.423 51.586 52.037 -0.047 0.000 0.775 117 A CB 1.229 20.145 19.000 -0.141 0.000 1.340 117 A HN 0.135 nan 8.150 nan 0.000 0.427 118 S N -0.349 115.332 115.700 -0.030 0.000 2.616 118 S HA 0.657 5.127 4.470 -0.000 0.000 0.277 118 S C -0.120 174.497 174.600 0.027 0.000 1.234 118 S CA -0.167 58.033 58.200 0.000 0.000 1.028 118 S CB 0.612 63.803 63.200 -0.015 0.000 0.988 118 S HN 0.469 nan 8.310 nan 0.000 0.522 338 Y N 1.592 121.803 120.300 -0.148 0.000 2.096 338 Y HA -0.226 4.324 4.550 -0.000 0.000 0.278 338 Y C 2.482 178.550 175.900 0.280 0.000 1.192 338 Y CA 1.706 59.910 58.100 0.173 0.000 1.143 338 Y CB -0.699 38.063 38.460 0.502 0.000 0.963 338 Y HN 0.095 nan 8.280 nan 0.000 0.505 339 L N -0.414 121.041 121.223 0.387 0.000 2.107 339 L HA -0.392 3.948 4.340 -0.000 0.000 0.240 339 L C 2.244 179.158 176.870 0.074 0.000 1.115 339 L CA 2.418 57.334 54.840 0.126 0.000 0.840 339 L CB -1.451 40.595 42.059 -0.023 0.000 0.935 339 L HN 0.403 nan 8.230 nan 0.000 0.449 340 Y N -0.801 119.446 120.300 -0.088 0.000 1.993 340 Y HA -0.401 4.149 4.550 -0.000 0.000 0.267 340 Y C 2.310 178.036 175.900 -0.290 0.000 1.155 340 Y CA 2.486 60.434 58.100 -0.254 0.000 1.105 340 Y CB -0.688 37.535 38.460 -0.395 0.000 0.960 340 Y HN 0.274 nan 8.280 nan 0.000 0.486 341 F N -0.390 119.427 119.950 -0.222 0.000 2.236 341 F HA -0.279 4.248 4.527 -0.000 0.000 0.302 341 F C 2.376 178.041 175.800 -0.226 0.000 1.073 341 F CA 1.619 59.476 58.000 -0.239 0.000 1.336 341 F CB -1.115 37.856 39.000 -0.049 0.000 1.040 341 F HN 0.068 nan 8.300 nan 0.000 0.507 342 T N -0.871 113.665 114.554 -0.030 0.000 2.732 342 T HA -0.143 4.207 4.350 -0.000 0.000 0.261 342 T C 2.212 176.728 174.700 -0.306 0.000 1.040 342 T CA 1.966 63.902 62.100 -0.274 0.000 1.145 342 T CB -0.654 67.916 68.868 -0.496 0.000 0.866 342 T HN 0.413 nan 8.240 nan 0.000 0.427 343 T N 1.852 116.254 114.554 -0.253 0.000 2.746 343 T HA -0.050 4.300 4.350 -0.000 0.000 0.267 343 T C 1.950 176.481 174.700 -0.281 0.000 1.039 343 T CA 0.802 62.756 62.100 -0.243 0.000 1.142 343 T CB -0.739 68.000 68.868 -0.215 0.000 0.866 343 T HN 0.097 nan 8.240 nan 0.000 0.444 344 L N 2.148 123.124 121.223 -0.412 0.000 2.012 344 L HA 0.074 4.414 4.340 -0.000 0.000 0.210 344 L C 2.878 179.584 176.870 -0.273 0.000 1.073 344 L CA 1.940 56.527 54.840 -0.422 0.000 0.748 344 L CB -1.370 40.260 42.059 -0.714 0.000 0.891 344 L HN 0.360 nan 8.230 nan 0.000 0.431 345 A N -1.053 121.630 122.820 -0.228 0.000 1.902 345 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 345 A C 2.352 179.838 177.584 -0.163 0.000 1.181 345 A CA 1.882 53.826 52.037 -0.156 0.000 0.623 345 A CB -0.724 18.206 19.000 -0.116 0.000 0.818 345 A HN 0.644 nan 8.150 nan 0.000 0.443 346 E N -0.279 119.808 120.200 -0.188 0.000 2.152 346 E HA -0.013 4.337 4.350 -0.000 0.000 0.192 346 E C 2.087 178.588 176.600 -0.165 0.000 0.983 346 E CA 0.784 57.086 56.400 -0.162 0.000 0.818 346 E CB -0.230 29.383 29.700 -0.146 0.000 0.758 346 E HN 0.523 nan 8.360 nan 0.000 0.467 347 A N 1.235 123.953 122.820 -0.171 0.000 1.851 347 A HA -0.272 4.048 4.320 -0.000 0.000 0.216 347 A C 2.106 179.598 177.584 -0.152 0.000 1.195 347 A CA 1.834 53.773 52.037 -0.163 0.000 0.622 347 A CB -0.711 18.190 19.000 -0.166 0.000 0.831 347 A HN 0.345 nan 8.150 nan 0.000 0.444 348 Q N -0.909 118.810 119.800 -0.134 0.000 2.181 348 Q HA -0.231 4.109 4.340 -0.000 0.000 0.205 348 Q C 2.069 178.035 176.000 -0.057 0.000 0.980 348 Q CA 1.683 57.434 55.803 -0.087 0.000 0.862 348 Q CB -0.163 28.529 28.738 -0.076 0.000 0.905 348 Q HN 0.826 nan 8.270 nan 0.000 0.429 349 E N 0.231 120.368 120.200 -0.105 0.000 2.047 349 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 349 E C 2.011 178.567 176.600 -0.074 0.000 0.987 349 E CA 0.503 56.837 56.400 -0.111 0.000 0.799 349 E CB 0.251 29.858 29.700 -0.155 0.000 0.752 349 E HN 0.179 nan 8.360 nan 0.000 0.449 350 R N 0.046 120.440 120.500 -0.178 0.000 2.105 350 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 350 R C 2.178 178.435 176.300 -0.071 0.000 1.135 350 R CA 1.093 57.028 56.100 -0.276 0.000 0.967 350 R CB -0.638 29.242 30.300 -0.699 0.000 0.861 350 R HN 0.278 nan 8.270 nan 0.000 0.442 351 M N -0.022 119.557 119.600 -0.036 0.000 2.077 351 M HA -0.163 4.317 4.480 -0.000 0.000 0.261 351 M C 2.079 178.475 176.300 0.160 0.000 1.070 351 M CA 1.471 56.797 55.300 0.044 0.000 1.125 351 M CB -0.857 31.719 32.600 -0.039 0.000 1.339 351 M HN 0.146 nan 8.290 nan 0.000 0.409 352 Y N 0.658 120.956 120.300 -0.002 0.000 2.132 352 Y HA -0.373 4.177 4.550 -0.000 0.000 0.280 352 Y C 1.791 177.687 175.900 -0.007 0.000 1.193 352 Y CA 2.338 60.447 58.100 0.016 0.000 1.157 352 Y CB -0.382 38.073 38.460 -0.007 0.000 0.966 352 Y HN 0.323 nan 8.280 nan 0.000 0.511 353 D N -1.160 119.388 120.400 0.247 0.000 2.144 353 D HA -0.204 4.436 4.640 -0.000 0.000 0.200 353 D C 1.782 178.124 176.300 0.070 0.000 0.978 353 D CA 1.555 55.647 54.000 0.153 0.000 0.833 353 D CB -0.520 40.355 40.800 0.125 0.000 0.961 353 D HN 0.612 nan 8.370 nan 0.000 0.470 354 Y N 0.696 120.997 120.300 0.001 0.000 2.243 354 Y HA -0.119 4.431 4.550 0.000 0.000 0.293 354 Y C 1.935 177.830 175.900 -0.009 0.000 1.124 354 Y CA 0.690 58.796 58.100 0.009 0.000 1.159 354 Y CB -0.175 38.303 38.460 0.030 0.000 1.008 354 Y HN -0.192 nan 8.280 nan 0.000 0.527 355 L N 1.313 122.379 121.223 -0.261 0.000 1.956 355 L HA -0.242 4.097 4.340 -0.000 0.000 0.216 355 L C 2.800 179.515 176.870 -0.259 0.000 1.073 355 L CA 2.213 56.912 54.840 -0.236 0.000 0.762 355 L CB -1.901 40.176 42.059 0.030 0.000 0.889 355 L HN 0.412 nan 8.230 nan 0.000 0.433 356 A N -1.559 121.003 122.820 -0.430 0.000 2.042 356 A HA -0.312 4.008 4.320 -0.000 0.000 0.222 356 A C 2.298 179.697 177.584 -0.309 0.000 1.167 356 A CA 2.272 53.968 52.037 -0.568 0.000 0.649 356 A CB -0.518 18.088 19.000 -0.658 0.000 0.809 356 A HN 0.630 nan 8.150 nan 0.000 0.457 357 Q N -0.665 118.987 119.800 -0.247 0.000 2.287 357 Q HA 0.047 4.387 4.340 -0.000 0.000 0.201 357 Q C 1.153 177.043 176.000 -0.185 0.000 0.946 357 Q CA 0.075 55.779 55.803 -0.165 0.000 0.868 357 Q CB 0.026 28.715 28.738 -0.081 0.000 0.967 357 Q HN 0.589 nan 8.270 nan 0.000 0.516 358 R N 2.332 122.622 120.500 -0.350 0.000 3.252 358 R HA -0.162 4.177 4.340 -0.000 0.000 0.333 358 R C -0.232 175.959 176.300 -0.181 0.000 0.722 358 R CA 0.931 56.809 56.100 -0.370 0.000 1.078 358 R CB -0.537 29.386 30.300 -0.627 0.000 0.898 358 R HN 0.506 nan 8.270 nan 0.000 0.379 359 D N 2.501 122.840 120.400 -0.101 0.000 4.312 359 D HA -0.395 4.245 4.640 -0.000 0.000 0.345 359 D C -0.169 176.098 176.300 -0.055 0.000 0.718 359 D CA 2.244 56.212 54.000 -0.054 0.000 1.584 359 D CB -1.339 39.447 40.800 -0.023 0.000 0.871 359 D HN 0.721 nan 8.370 nan 0.000 0.448 360 N N 2.307 120.987 118.700 -0.033 0.000 2.765 360 N HA 0.084 4.824 4.740 -0.000 0.000 0.315 360 N C 0.024 175.511 175.510 -0.039 0.000 1.194 360 N CA 0.827 53.885 53.050 0.014 0.000 1.147 360 N CB -1.213 37.362 38.487 0.146 0.000 1.389 360 N HN 0.550 nan 8.380 nan 0.000 0.551 361 V N -1.341 118.550 119.914 -0.038 0.000 2.691 361 V HA -0.119 4.001 4.120 -0.000 0.000 0.262 361 V C 1.170 177.232 176.094 -0.055 0.000 0.954 361 V CA 0.184 62.455 62.300 -0.049 0.000 1.171 361 V CB -0.922 30.882 31.823 -0.032 0.000 0.957 361 V HN 0.282 nan 8.190 nan 0.000 0.466 362 S N 3.552 119.199 115.700 -0.089 0.000 2.355 362 S HA 0.439 4.909 4.470 -0.000 0.000 0.216 362 S C 1.444 176.008 174.600 -0.061 0.000 1.037 362 S CA 0.437 58.582 58.200 -0.091 0.000 0.955 362 S CB -0.283 62.813 63.200 -0.174 0.000 0.877 362 S HN 2.014 nan 8.310 nan 0.000 0.488 363 A N 2.661 125.446 122.820 -0.059 0.000 3.136 363 A HA -0.226 4.094 4.320 -0.000 0.000 0.871 363 A C 1.340 178.909 177.584 -0.024 0.000 2.035 363 A CA 1.387 53.404 52.037 -0.034 0.000 2.449 363 A CB -0.735 18.253 19.000 -0.019 0.000 1.428 363 A HN 0.527 nan 8.150 nan 0.000 0.662 364 K N -0.503 119.892 120.400 -0.009 0.000 4.606 364 K HA -0.366 3.954 4.320 -0.000 0.000 0.363 364 K C 1.078 177.679 176.600 0.002 0.000 0.635 364 K CA 3.305 59.591 56.287 -0.001 0.000 1.549 364 K CB -1.705 30.794 32.500 -0.002 0.000 1.342 364 K HN 1.008 nan 8.250 nan 0.000 0.548 365 E N 0.755 120.952 120.200 -0.006 0.000 2.299 365 E HA 0.018 4.368 4.350 -0.000 0.000 0.193 365 E C 1.952 178.558 176.600 0.010 0.000 0.998 365 E CA 0.559 56.962 56.400 0.005 0.000 0.851 365 E CB -0.042 29.659 29.700 0.002 0.000 0.795 365 E HN 0.115 nan 8.360 nan 0.000 0.492 366 L N 2.037 123.249 121.223 -0.018 0.000 2.064 366 L HA -0.257 4.082 4.340 -0.000 0.000 0.216 366 L C 2.044 178.946 176.870 0.053 0.000 1.077 366 L CA 1.807 56.647 54.840 0.001 0.000 0.766 366 L CB -0.848 41.199 42.059 -0.019 0.000 0.890 366 L HN 0.139 nan 8.230 nan 0.000 0.435 367 K N -0.204 120.218 120.400 0.037 0.000 2.032 367 K HA -0.173 4.147 4.320 -0.000 0.000 0.209 367 K C 0.944 177.572 176.600 0.046 0.000 1.048 367 K CA 0.543 56.854 56.287 0.039 0.000 0.927 367 K CB -0.644 31.872 32.500 0.026 0.000 0.712 367 K HN 0.441 nan 8.250 nan 0.000 0.441 368 N N 1.706 120.432 118.700 0.043 0.000 2.292 368 N HA -0.158 4.582 4.740 -0.000 0.000 0.242 368 N C 0.640 176.194 175.510 0.072 0.000 1.243 368 N CA 0.626 53.706 53.050 0.049 0.000 0.851 368 N CB 0.690 39.203 38.487 0.044 0.000 1.093 368 N HN 0.124 nan 8.380 nan 0.000 0.450 369 E N 1.854 122.095 120.200 0.067 0.000 2.431 369 E HA 0.058 4.407 4.350 -0.000 0.000 0.200 369 E C 1.281 177.943 176.600 0.103 0.000 0.995 369 E CA 0.341 56.791 56.400 0.082 0.000 0.915 369 E CB -0.007 29.728 29.700 0.059 0.000 0.930 369 E HN 0.731 nan 8.360 nan 0.000 0.496 370 A N 0.749 123.624 122.820 0.092 0.000 1.873 370 A HA -0.137 4.182 4.320 -0.000 0.000 0.215 370 A C 2.296 179.982 177.584 0.169 0.000 1.186 370 A CA 1.913 54.010 52.037 0.100 0.000 0.616 370 A CB -0.985 18.049 19.000 0.057 0.000 0.823 370 A HN 0.270 nan 8.150 nan 0.000 0.442 371 T N -0.320 114.345 114.554 0.184 0.000 2.516 371 T HA -0.333 4.017 4.350 -0.000 0.000 0.261 371 T C 1.964 176.920 174.700 0.427 0.000 1.130 371 T CA 2.030 64.324 62.100 0.322 0.000 1.193 371 T CB -0.547 68.471 68.868 0.250 0.000 0.864 371 T HN 0.612 nan 8.240 nan 0.000 0.410 372 Q N 0.760 120.754 119.800 0.322 0.000 2.094 372 Q HA -0.337 4.003 4.340 -0.000 0.000 0.217 372 Q C 2.285 178.503 176.000 0.364 0.000 1.046 372 Q CA 2.555 58.581 55.803 0.373 0.000 0.911 372 Q CB -0.220 28.654 28.738 0.228 0.000 1.038 372 Q HN 0.431 nan 8.270 nan 0.000 0.422 373 K N -0.852 119.700 120.400 0.253 0.000 2.020 373 K HA -0.220 4.100 4.320 -0.000 0.000 0.212 373 K C 2.014 178.727 176.600 0.189 0.000 1.050 373 K CA 1.695 58.097 56.287 0.192 0.000 0.929 373 K CB -0.453 32.144 32.500 0.161 0.000 0.714 373 K HN 0.300 nan 8.250 nan 0.000 0.443 374 F N 0.780 120.780 119.950 0.084 0.000 2.065 374 F HA -0.279 4.248 4.527 -0.000 0.000 0.298 374 F C 1.826 177.589 175.800 -0.061 0.000 1.112 374 F CA 1.695 59.684 58.000 -0.018 0.000 1.212 374 F CB -0.664 38.298 39.000 -0.064 0.000 0.975 374 F HN 0.097 nan 8.300 nan 0.000 0.476 375 Y N 0.182 120.405 120.300 -0.128 0.000 2.153 375 Y HA -0.079 4.471 4.550 -0.000 0.000 0.289 375 Y C 2.744 178.633 175.900 -0.018 0.000 1.127 375 Y CA 1.779 59.733 58.100 -0.242 0.000 1.131 375 Y CB -0.715 37.552 38.460 -0.321 0.000 0.995 375 Y HN -0.120 nan 8.280 nan 0.000 0.505 376 R N 0.045 120.777 120.500 0.386 0.000 2.153 376 R HA -0.277 4.063 4.340 -0.000 0.000 0.252 376 R C 1.726 178.073 176.300 0.078 0.000 1.158 376 R CA 2.142 58.406 56.100 0.274 0.000 0.975 376 R CB -0.523 29.870 30.300 0.154 0.000 0.871 376 R HN 0.490 nan 8.270 nan 0.000 0.450 377 D N -0.089 120.295 120.400 -0.026 0.000 2.162 377 D HA -0.127 4.513 4.640 -0.000 0.000 0.205 377 D C 1.884 178.089 176.300 -0.158 0.000 0.964 377 D CA 0.369 54.320 54.000 -0.083 0.000 0.847 377 D CB 0.038 40.784 40.800 -0.090 0.000 0.988 377 D HN 0.034 nan 8.370 nan 0.000 0.480 378 L N 1.122 122.139 121.223 -0.343 0.000 1.990 378 L HA -0.096 4.244 4.340 -0.000 0.000 0.213 378 L C 2.321 179.098 176.870 -0.156 0.000 1.072 378 L CA 2.388 57.001 54.840 -0.379 0.000 0.755 378 L CB -1.311 40.296 42.059 -0.754 0.000 0.889 378 L HN 0.151 nan 8.230 nan 0.000 0.432 379 A N -0.237 122.541 122.820 -0.071 0.000 1.906 379 A HA -0.377 3.943 4.320 -0.000 0.000 0.222 379 A C 2.492 180.068 177.584 -0.012 0.000 1.282 379 A CA 3.313 55.357 52.037 0.012 0.000 0.675 379 A CB -1.639 17.421 19.000 0.098 0.000 0.838 379 A HN 0.726 nan 8.150 nan 0.000 0.469 380 A N -0.870 121.940 122.820 -0.018 0.000 1.883 380 A HA -0.198 4.121 4.320 -0.000 0.000 0.217 380 A C 2.131 179.710 177.584 -0.008 0.000 1.186 380 A CA 1.962 53.988 52.037 -0.018 0.000 0.624 380 A CB -0.454 18.539 19.000 -0.012 0.000 0.822 380 A HN 0.562 nan 8.150 nan 0.000 0.444 381 K N -0.590 119.801 120.400 -0.015 0.000 2.026 381 K HA -0.132 4.188 4.320 -0.000 0.000 0.208 381 K C 1.833 178.456 176.600 0.038 0.000 1.048 381 K CA 1.150 57.438 56.287 0.001 0.000 0.929 381 K CB -0.362 32.125 32.500 -0.022 0.000 0.713 381 K HN 0.388 nan 8.250 nan 0.000 0.439 382 E N 1.123 121.350 120.200 0.046 0.000 2.114 382 E HA -0.195 4.155 4.350 -0.000 0.000 0.199 382 E C 2.082 178.806 176.600 0.207 0.000 1.008 382 E CA 1.195 57.676 56.400 0.135 0.000 0.810 382 E CB -0.307 29.456 29.700 0.105 0.000 0.739 382 E HN 0.368 nan 8.360 nan 0.000 0.456 383 I N 0.464 121.084 120.570 0.083 0.000 2.193 383 I HA -0.236 3.934 4.170 -0.000 0.000 0.240 383 I C 2.293 178.477 176.117 0.111 0.000 1.084 383 I CA 1.002 62.362 61.300 0.100 0.000 1.365 383 I CB -0.344 37.652 38.000 -0.007 0.000 1.064 383 I HN 0.031 nan 8.210 nan 0.000 0.410 384 E N 1.267 121.506 120.200 0.065 0.000 2.048 384 E HA -0.229 4.121 4.350 -0.000 0.000 0.202 384 E C 1.781 178.414 176.600 0.054 0.000 1.021 384 E CA 1.861 58.294 56.400 0.054 0.000 0.825 384 E CB -0.149 29.574 29.700 0.037 0.000 0.756 384 E HN 0.539 nan 8.360 nan 0.000 0.454 385 N N -0.181 118.552 118.700 0.055 0.000 2.236 385 N HA -0.070 4.670 4.740 -0.000 0.000 0.195 385 N C 2.035 177.567 175.510 0.037 0.000 1.048 385 N CA 1.088 54.160 53.050 0.037 0.000 0.927 385 N CB -1.329 37.175 38.487 0.028 0.000 1.112 385 N HN 0.272 nan 8.380 nan 0.000 0.482 386 G N 0.824 109.657 108.800 0.055 0.000 4.453 386 G HA2 -0.339 3.620 3.960 -0.000 0.000 0.254 386 G HA3 -0.339 3.620 3.960 -0.000 0.000 0.254 386 G C 0.846 175.591 174.900 -0.257 0.000 1.103 386 G CA 2.294 47.391 45.100 -0.005 0.000 0.765 386 G HN 0.996 nan 8.290 nan 0.000 0.838 387 G N -1.371 107.372 108.800 -0.096 0.000 2.342 387 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.267 387 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.267 387 G C -0.176 174.546 174.900 -0.298 0.000 0.922 387 G CA 0.490 45.514 45.100 -0.127 0.000 1.342 387 G HN 0.907 nan 8.290 nan 0.000 0.430 388 Y N -0.458 119.837 120.300 -0.007 0.000 2.598 388 Y HA 0.674 5.223 4.550 -0.000 0.000 0.340 388 Y C 0.566 176.458 175.900 -0.013 0.000 1.038 388 Y CA -1.108 56.985 58.100 -0.012 0.000 1.100 388 Y CB 1.862 40.313 38.460 -0.016 0.000 1.281 388 Y HN 0.339 nan 8.280 nan 0.000 0.488 389 K N 2.397 122.912 120.400 0.192 0.000 2.367 389 K HA 0.559 4.879 4.320 -0.000 0.000 0.263 389 K C -1.748 174.900 176.600 0.081 0.000 1.000 389 K CA -0.199 56.149 56.287 0.101 0.000 0.891 389 K CB 0.212 32.745 32.500 0.055 0.000 1.117 389 K HN 0.644 nan 8.250 nan 0.000 0.443 390 I N 3.800 124.399 120.570 0.048 0.000 2.304 390 I HA 0.139 4.309 4.170 -0.000 0.000 0.291 390 I C -0.150 175.971 176.117 0.006 0.000 1.018 390 I CA -0.557 60.753 61.300 0.017 0.000 1.260 390 I CB 1.828 39.815 38.000 -0.022 0.000 1.390 390 I HN 0.553 nan 8.210 nan 0.000 0.475 391 T N 4.942 119.510 114.554 0.025 0.000 2.753 391 T HA 0.293 4.643 4.350 -0.000 0.000 0.297 391 T C 0.462 175.177 174.700 0.026 0.000 0.981 391 T CA -0.517 61.598 62.100 0.024 0.000 0.956 391 T CB 0.695 69.585 68.868 0.037 0.000 0.936 391 T HN 0.775 nan 8.240 nan 0.000 0.463 392 T N -0.013 114.538 114.554 -0.005 0.000 2.852 392 T HA 0.309 4.659 4.350 -0.000 0.000 0.281 392 T C 1.527 176.240 174.700 0.021 0.000 0.993 392 T CA -0.269 61.828 62.100 -0.005 0.000 0.933 392 T CB 0.715 69.545 68.868 -0.064 0.000 1.187 392 T HN 0.461 nan 8.240 nan 0.000 0.559 393 T N -1.396 113.164 114.554 0.011 0.000 3.086 393 T HA 0.299 4.649 4.350 -0.000 0.000 0.250 393 T C 0.738 175.455 174.700 0.028 0.000 1.074 393 T CA -0.489 61.609 62.100 -0.004 0.000 0.988 393 T CB -0.261 68.553 68.868 -0.090 0.000 0.988 393 T HN 0.476 nan 8.240 nan 0.000 0.530 394 I N 3.458 124.065 120.570 0.062 0.000 2.496 394 I HA 0.263 4.433 4.170 -0.000 0.000 0.285 394 I C 0.128 176.367 176.117 0.204 0.000 1.080 394 I CA -0.667 60.707 61.300 0.123 0.000 1.404 394 I CB 0.498 38.544 38.000 0.076 0.000 1.403 394 I HN 0.264 nan 8.210 nan 0.000 0.539 395 D N 6.574 127.051 120.400 0.128 0.000 2.373 395 D HA 0.057 4.697 4.640 -0.000 0.000 0.227 395 D C 0.771 177.072 176.300 0.000 0.000 1.091 395 D CA -0.344 53.684 54.000 0.046 0.000 0.840 395 D CB 1.233 42.034 40.800 0.001 0.000 1.060 395 D HN 0.572 nan 8.370 nan 0.000 0.502 396 Q N 3.811 123.477 119.800 -0.224 0.000 2.152 396 Q HA -0.216 4.123 4.340 -0.000 0.000 0.206 396 Q C 1.173 177.027 176.000 -0.244 0.000 0.985 396 Q CA 1.279 56.709 55.803 -0.623 0.000 0.863 396 Q CB 0.313 28.364 28.738 -1.145 0.000 0.904 396 Q HN 0.451 nan 8.270 nan 0.000 0.422 397 K N -0.135 120.170 120.400 -0.158 0.000 2.211 397 K HA 0.027 4.347 4.320 -0.000 0.000 0.201 397 K C 2.077 178.650 176.600 -0.045 0.000 1.052 397 K CA 0.427 56.652 56.287 -0.104 0.000 0.973 397 K CB 0.140 32.585 32.500 -0.091 0.000 0.766 397 K HN 0.263 nan 8.250 nan 0.000 0.466 398 I N -0.041 120.513 120.570 -0.027 0.000 2.233 398 I HA -0.249 3.921 4.170 -0.000 0.000 0.243 398 I C 2.515 178.641 176.117 0.016 0.000 1.093 398 I CA 0.949 62.243 61.300 -0.010 0.000 1.380 398 I CB -0.506 37.482 38.000 -0.020 0.000 1.067 398 I HN 0.307 nan 8.210 nan 0.000 0.413 399 H N 0.857 119.911 119.070 -0.027 0.000 2.387 399 H HA -0.146 4.410 4.556 -0.000 0.000 0.299 399 H C 2.297 177.615 175.328 -0.016 0.000 1.099 399 H CA 1.822 57.857 56.048 -0.021 0.000 1.315 399 H CB 0.390 30.164 29.762 0.020 0.000 1.380 399 H HN 0.215 nan 8.280 nan 0.000 0.513 400 S N -0.262 115.441 115.700 0.005 0.000 2.436 400 S HA 0.017 4.487 4.470 -0.000 0.000 0.228 400 S C 2.279 176.857 174.600 -0.037 0.000 1.014 400 S CA 0.561 58.751 58.200 -0.016 0.000 0.950 400 S CB -0.002 63.199 63.200 0.000 0.000 0.784 400 S HN 0.557 nan 8.310 nan 0.000 0.504 401 A N 1.014 123.817 122.820 -0.027 0.000 1.970 401 A HA 0.115 4.435 4.320 -0.000 0.000 0.216 401 A C 2.042 179.630 177.584 0.006 0.000 1.170 401 A CA 0.867 52.907 52.037 0.005 0.000 0.645 401 A CB -0.427 18.583 19.000 0.018 0.000 0.816 401 A HN 0.431 nan 8.150 nan 0.000 0.447 402 M N -0.674 118.895 119.600 -0.052 0.000 2.099 402 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 402 M C 2.332 178.601 176.300 -0.051 0.000 1.067 402 M CA 1.236 56.503 55.300 -0.055 0.000 1.124 402 M CB -0.255 32.270 32.600 -0.125 0.000 1.353 402 M HN 0.332 nan 8.290 nan 0.000 0.410 403 Q N -0.512 119.203 119.800 -0.142 0.000 2.152 403 Q HA -0.151 4.188 4.340 -0.000 0.000 0.206 403 Q C 2.175 178.194 176.000 0.031 0.000 0.985 403 Q CA 1.647 57.419 55.803 -0.053 0.000 0.863 403 Q CB -0.815 27.891 28.738 -0.054 0.000 0.904 403 Q HN 0.431 nan 8.270 nan 0.000 0.422 404 S N 0.523 116.237 115.700 0.024 0.000 2.357 404 S HA -0.035 4.435 4.470 -0.000 0.000 0.221 404 S C 1.979 176.615 174.600 0.060 0.000 1.031 404 S CA 0.883 59.104 58.200 0.034 0.000 0.982 404 S CB -0.170 63.047 63.200 0.029 0.000 0.853 404 S HN 0.525 nan 8.310 nan 0.000 0.458 405 A N 0.589 123.481 122.820 0.119 0.000 1.917 405 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 405 A C 2.316 180.070 177.584 0.283 0.000 1.182 405 A CA 1.867 54.051 52.037 0.244 0.000 0.633 405 A CB -1.073 18.059 19.000 0.222 0.000 0.819 405 A HN 0.399 nan 8.150 nan 0.000 0.448 406 V N -0.593 119.460 119.914 0.232 0.000 2.548 406 V HA -0.055 4.065 4.120 -0.000 0.000 0.249 406 V C 2.751 178.940 176.094 0.159 0.000 1.055 406 V CA 1.974 64.430 62.300 0.260 0.000 1.065 406 V CB -0.554 31.412 31.823 0.239 0.000 0.681 406 V HN 0.610 nan 8.190 nan 0.000 0.462 407 A N -0.558 122.321 122.820 0.099 0.000 1.898 407 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 407 A C 1.940 179.522 177.584 -0.003 0.000 1.181 407 A CA 1.882 53.950 52.037 0.051 0.000 0.620 407 A CB -0.536 18.483 19.000 0.031 0.000 0.819 407 A HN 0.588 nan 8.150 nan 0.000 0.442 408 D N -2.153 118.191 120.400 -0.094 0.000 2.249 408 D HA 0.001 4.641 4.640 -0.000 0.000 0.205 408 D C 0.530 176.568 176.300 -0.438 0.000 0.962 408 D CA 1.077 54.859 54.000 -0.364 0.000 0.860 408 D CB -0.023 40.395 40.800 -0.638 0.000 0.955 408 D HN 0.604 nan 8.370 nan 0.000 0.505 409 Y N -0.884 119.573 120.300 0.261 0.000 2.563 409 Y HA 0.328 4.878 4.550 -0.000 0.000 0.250 409 Y C 2.139 178.049 175.900 0.017 0.000 1.126 409 Y CA -0.445 57.758 58.100 0.170 0.000 1.231 409 Y CB 0.215 38.685 38.460 0.018 0.000 1.288 409 Y HN -0.124 nan 8.280 nan 0.000 0.537 410 G N 0.588 109.511 108.800 0.206 0.000 2.442 410 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.219 410 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.219 410 G C 1.490 176.340 174.900 -0.083 0.000 1.141 410 G CA 1.452 46.529 45.100 -0.040 0.000 0.763 410 G HN 0.618 nan 8.290 nan 0.000 0.554 411 Y N 0.633 120.905 120.300 -0.046 0.000 2.465 411 Y HA 0.104 4.653 4.550 -0.000 0.000 0.289 411 Y C 1.975 177.840 175.900 -0.058 0.000 1.150 411 Y CA 0.480 58.550 58.100 -0.051 0.000 1.293 411 Y CB -0.562 37.881 38.460 -0.027 0.000 0.977 411 Y HN 0.126 nan 8.280 nan 0.000 0.556 412 L N 0.296 121.013 121.223 -0.843 0.000 2.622 412 L HA -0.034 4.306 4.340 -0.000 0.000 0.233 412 L C 1.826 178.492 176.870 -0.340 0.000 1.156 412 L CA 0.411 54.862 54.840 -0.648 0.000 0.866 412 L CB -0.327 41.362 42.059 -0.617 0.000 0.980 412 L HN 0.346 nan 8.230 nan 0.000 0.448 413 L N -1.367 119.665 121.223 -0.318 0.000 2.446 413 L HA 0.071 4.411 4.340 -0.000 0.000 0.219 413 L C 0.176 176.916 176.870 -0.216 0.000 1.116 413 L CA 0.001 54.660 54.840 -0.301 0.000 0.844 413 L CB -0.166 41.643 42.059 -0.417 0.000 0.970 413 L HN 0.151 nan 8.230 nan 0.000 0.457 414 D N 1.827 122.142 120.400 -0.142 0.000 2.390 414 D HA 0.143 4.783 4.640 -0.000 0.000 0.249 414 D C -0.138 176.134 176.300 -0.047 0.000 1.144 414 D CA 0.324 54.286 54.000 -0.062 0.000 0.880 414 D CB 1.180 41.981 40.800 0.001 0.000 1.182 414 D HN 0.203 nan 8.370 nan 0.000 0.451 415 D N -0.136 120.247 120.400 -0.028 0.000 3.100 415 D HA 0.249 4.889 4.640 -0.000 0.000 0.350 415 D C 0.970 177.275 176.300 0.008 0.000 1.310 415 D CA -0.887 53.099 54.000 -0.023 0.000 0.741 415 D CB -0.073 40.695 40.800 -0.053 0.000 1.248 415 D HN 0.451 nan 8.370 nan 0.000 0.527 416 G N 0.826 109.638 108.800 0.021 0.000 2.233 416 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.270 416 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.270 416 G C 0.777 175.708 174.900 0.051 0.000 1.011 416 G CA 1.077 46.194 45.100 0.029 0.000 0.762 416 G HN 1.085 nan 8.290 nan 0.000 0.511 417 T N -3.129 111.480 114.554 0.091 0.000 3.337 417 T HA 0.620 4.970 4.350 -0.000 0.000 0.299 417 T C 1.250 176.061 174.700 0.185 0.000 0.998 417 T CA 1.033 63.233 62.100 0.166 0.000 0.948 417 T CB 0.674 69.698 68.868 0.260 0.000 1.170 417 T HN 2.322 nan 8.240 nan 0.000 0.508 418 G N 1.868 110.739 108.800 0.118 0.000 2.756 418 G HA2 -0.067 3.892 3.960 -0.000 0.000 0.678 418 G HA3 -0.067 3.892 3.960 -0.000 0.000 0.678 418 G C -0.531 174.474 174.900 0.175 0.000 1.349 418 G CA -0.774 44.378 45.100 0.086 0.000 0.847 418 G HN 0.708 nan 8.290 nan 0.000 0.548 419 R N -0.877 119.693 120.500 0.116 0.000 2.494 419 R HA 0.304 4.643 4.340 -0.000 0.000 0.291 419 R C 0.537 176.953 176.300 0.194 0.000 0.953 419 R CA 0.542 56.705 56.100 0.105 0.000 1.098 419 R CB 0.015 30.362 30.300 0.079 0.000 0.911 419 R HN 0.850 nan 8.270 nan 0.000 0.407 420 V N 5.577 125.492 119.914 0.002 0.000 2.432 420 V HA 0.232 4.352 4.120 -0.000 0.000 0.275 420 V C 0.491 176.404 176.094 -0.302 0.000 1.043 420 V CA -0.492 61.641 62.300 -0.279 0.000 0.925 420 V CB 1.314 32.896 31.823 -0.401 0.000 0.985 420 V HN 0.744 nan 8.190 nan 0.000 0.466 421 E N 2.296 122.273 120.200 -0.372 0.000 2.280 421 E HA 0.660 5.010 4.350 -0.000 0.000 0.261 421 E C -0.803 175.499 176.600 -0.497 0.000 1.088 421 E CA -0.398 55.762 56.400 -0.400 0.000 0.915 421 E CB 2.406 31.789 29.700 -0.528 0.000 1.141 421 E HN 0.431 nan 8.360 nan 0.000 0.433 422 V N -0.629 119.100 119.914 -0.309 0.000 2.851 422 V HA 0.750 4.870 4.120 -0.000 0.000 0.307 422 V C -1.091 175.081 176.094 0.131 0.000 1.129 422 V CA -0.240 61.959 62.300 -0.168 0.000 0.932 422 V CB 2.024 33.692 31.823 -0.260 0.000 1.024 422 V HN 0.631 nan 8.190 nan 0.000 0.426 423 G N 4.616 113.597 108.800 0.301 0.000 2.707 423 G HA2 0.655 4.615 3.960 -0.000 0.000 0.299 423 G HA3 0.655 4.615 3.960 -0.000 0.000 0.299 423 G C -1.486 173.511 174.900 0.162 0.000 1.442 423 G CA -0.612 44.624 45.100 0.228 0.000 1.009 423 G HN 0.677 nan 8.290 nan 0.000 0.515 424 N N 0.216 119.015 118.700 0.165 0.000 2.229 424 N HA 0.674 5.414 4.740 -0.000 0.000 0.298 424 N C -1.306 174.299 175.510 0.157 0.000 1.114 424 N CA -0.440 52.704 53.050 0.158 0.000 0.776 424 N CB 2.952 41.550 38.487 0.185 0.000 1.501 424 N HN 0.262 nan 8.380 nan 0.000 0.474 425 V N 1.735 121.721 119.914 0.121 0.000 2.668 425 V HA 0.353 4.473 4.120 -0.000 0.000 0.304 425 V C -0.949 175.222 176.094 0.128 0.000 1.071 425 V CA -0.774 61.595 62.300 0.115 0.000 0.894 425 V CB 2.278 34.059 31.823 -0.069 0.000 1.008 425 V HN 0.485 nan 8.190 nan 0.000 0.425 426 L N 5.941 127.253 121.223 0.148 0.000 2.280 426 L HA 0.758 5.098 4.340 -0.000 0.000 0.287 426 L C -0.546 176.358 176.870 0.057 0.000 1.023 426 L CA -0.071 54.826 54.840 0.095 0.000 0.819 426 L CB 1.171 43.263 42.059 0.055 0.000 1.212 426 L HN 0.821 nan 8.230 nan 0.000 0.420 427 M N 4.336 123.960 119.600 0.040 0.000 2.259 427 M HA 0.347 4.827 4.480 -0.000 0.000 0.304 427 M C -0.975 175.319 176.300 -0.009 0.000 1.019 427 M CA -0.681 54.625 55.300 0.010 0.000 0.922 427 M CB 1.371 33.992 32.600 0.034 0.000 1.600 427 M HN 0.702 nan 8.290 nan 0.000 0.433 428 D N 3.371 123.737 120.400 -0.057 0.000 2.472 428 D HA -0.030 4.610 4.640 -0.000 0.000 0.248 428 D C 0.341 176.629 176.300 -0.020 0.000 1.174 428 D CA 0.533 54.497 54.000 -0.060 0.000 0.883 428 D CB 0.651 41.395 40.800 -0.094 0.000 1.149 428 D HN 0.638 nan 8.370 nan 0.000 0.488 429 N N 2.812 121.526 118.700 0.023 0.000 2.635 429 N HA -0.116 4.624 4.740 -0.000 0.000 0.191 429 N C 0.786 176.335 175.510 0.064 0.000 1.155 429 N CA 0.753 53.851 53.050 0.079 0.000 0.927 429 N CB 0.311 38.874 38.487 0.126 0.000 0.976 429 N HN 0.639 nan 8.380 nan 0.000 0.448 430 Q N -1.899 117.875 119.800 -0.044 0.000 2.519 430 Q HA 0.041 4.381 4.340 -0.000 0.000 0.248 430 Q C 1.812 177.528 176.000 -0.475 0.000 0.804 430 Q CA 0.569 56.273 55.803 -0.165 0.000 0.979 430 Q CB 0.244 28.925 28.738 -0.095 0.000 1.282 430 Q HN 0.389 nan 8.270 nan 0.000 0.558 431 T N -2.125 112.264 114.554 -0.275 0.000 2.812 431 T HA 0.026 4.375 4.350 -0.000 0.000 0.264 431 T C 1.614 176.225 174.700 -0.147 0.000 1.042 431 T CA 1.411 63.374 62.100 -0.229 0.000 1.140 431 T CB -0.169 68.627 68.868 -0.119 0.000 0.870 431 T HN 0.489 nan 8.240 nan 0.000 0.445 432 G N 1.504 110.239 108.800 -0.109 0.000 2.176 432 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.253 432 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.253 432 G C 0.329 175.040 174.900 -0.314 0.000 0.979 432 G CA 0.133 45.200 45.100 -0.056 0.000 0.641 432 G HN 1.267 nan 8.290 nan 0.000 0.530 433 A N -0.161 122.387 122.820 -0.455 0.000 2.445 433 A HA 0.650 4.970 4.320 -0.000 0.000 0.242 433 A C 0.465 177.875 177.584 -0.292 0.000 1.075 433 A CA 0.216 51.866 52.037 -0.645 0.000 0.777 433 A CB 0.293 19.043 19.000 -0.417 0.000 1.013 433 A HN 0.802 nan 8.150 nan 0.000 0.493 434 I N 2.700 123.140 120.570 -0.217 0.000 2.304 434 I HA 0.118 4.287 4.170 -0.000 0.000 0.291 434 I C 0.583 176.723 176.117 0.039 0.000 1.018 434 I CA -0.081 61.209 61.300 -0.017 0.000 1.260 434 I CB 1.218 39.292 38.000 0.122 0.000 1.390 434 I HN 0.668 nan 8.210 nan 0.000 0.475 435 L N 6.109 127.355 121.223 0.038 0.000 2.341 435 L HA 0.342 4.682 4.340 -0.000 0.000 0.214 435 L C 1.036 177.986 176.870 0.133 0.000 1.115 435 L CA 0.072 54.937 54.840 0.041 0.000 0.820 435 L CB -0.458 41.583 42.059 -0.029 0.000 0.944 435 L HN 0.766 nan 8.230 nan 0.000 0.452 436 G N -0.340 108.597 108.800 0.228 0.000 2.338 436 G HA2 0.434 4.394 3.960 -0.000 0.000 0.295 436 G HA3 0.434 4.394 3.960 -0.000 0.000 0.295 436 G C -1.814 173.373 174.900 0.479 0.000 1.461 436 G CA -0.513 44.831 45.100 0.406 0.000 0.817 436 G HN -0.037 nan 8.290 nan 0.000 0.556 437 F N -1.634 118.578 119.950 0.438 0.000 2.711 437 F HA 0.826 5.353 4.527 -0.000 0.000 0.313 437 F C -1.298 174.608 175.800 0.177 0.000 1.141 437 F CA -1.543 56.619 58.000 0.271 0.000 0.941 437 F CB 1.481 40.702 39.000 0.367 0.000 1.349 437 F HN 0.477 nan 8.300 nan 0.000 0.464 438 V N 1.743 121.911 119.914 0.424 0.000 2.384 438 V HA 0.531 4.650 4.120 -0.000 0.000 0.287 438 V C 0.694 176.962 176.094 0.289 0.000 1.020 438 V CA 0.101 62.561 62.300 0.267 0.000 0.850 438 V CB 0.877 32.825 31.823 0.208 0.000 0.987 438 V HN 1.178 nan 8.190 nan 0.000 0.436 439 G N 2.801 111.614 108.800 0.021 0.000 2.453 439 G HA2 0.508 4.468 3.960 -0.000 0.000 0.215 439 G HA3 0.508 4.468 3.960 -0.000 0.000 0.215 439 G C 0.548 175.245 174.900 -0.338 0.000 1.147 439 G CA 0.718 45.433 45.100 -0.642 0.000 0.802 439 G HN 1.221 nan 8.290 nan 0.000 0.535 440 G N -1.714 107.109 108.800 0.040 0.000 2.313 440 G HA2 0.289 4.249 3.960 -0.000 0.000 0.296 440 G HA3 0.289 4.249 3.960 -0.000 0.000 0.296 440 G C 0.242 175.312 174.900 0.282 0.000 1.356 440 G CA -0.605 44.673 45.100 0.296 0.000 0.833 440 G HN -0.068 nan 8.290 nan 0.000 0.552 441 R N -0.131 120.469 120.500 0.167 0.000 2.152 441 R HA -0.013 4.326 4.340 -0.000 0.000 0.232 441 R C 0.407 176.830 176.300 0.204 0.000 1.117 441 R CA 1.244 57.423 56.100 0.130 0.000 0.981 441 R CB -0.219 30.112 30.300 0.051 0.000 0.870 441 R HN 0.514 nan 8.270 nan 0.000 0.451 442 N N -1.131 117.735 118.700 0.277 0.000 3.193 442 N HA -0.084 4.656 4.740 -0.000 0.000 0.234 442 N C -0.197 175.422 175.510 0.181 0.000 1.267 442 N CA -0.256 52.930 53.050 0.226 0.000 0.875 442 N CB -0.131 38.433 38.487 0.128 0.000 1.592 442 N HN -0.078 nan 8.380 nan 0.000 0.648 443 Y N 2.892 123.200 120.300 0.013 0.000 2.139 443 Y HA -0.321 4.229 4.550 -0.000 0.000 0.282 443 Y C 1.807 177.615 175.900 -0.153 0.000 1.179 443 Y CA 2.122 60.043 58.100 -0.299 0.000 1.161 443 Y CB 0.383 38.537 38.460 -0.509 0.000 0.970 443 Y HN 0.551 nan 8.280 nan 0.000 0.511 444 Q N 0.396 120.209 119.800 0.022 0.000 1.975 444 Q HA -0.202 4.137 4.340 -0.000 0.000 0.205 444 Q C 2.058 177.992 176.000 -0.109 0.000 0.990 444 Q CA 1.911 57.695 55.803 -0.032 0.000 0.845 444 Q CB -0.740 28.023 28.738 0.043 0.000 0.913 444 Q HN 0.566 nan 8.270 nan 0.000 0.420 445 E N 0.907 121.080 120.200 -0.045 0.000 2.153 445 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 445 E C 0.541 177.104 176.600 -0.062 0.000 0.988 445 E CA 0.678 57.057 56.400 -0.036 0.000 0.811 445 E CB -0.208 29.497 29.700 0.008 0.000 0.746 445 E HN 0.303 nan 8.360 nan 0.000 0.466 446 N N -0.307 118.341 118.700 -0.087 0.000 2.406 446 N HA 0.041 4.781 4.740 -0.000 0.000 0.283 446 N C -0.577 174.825 175.510 -0.180 0.000 1.074 446 N CA -0.138 52.862 53.050 -0.083 0.000 0.916 446 N CB 1.402 39.924 38.487 0.058 0.000 1.639 446 N HN -0.358 nan 8.380 nan 0.000 0.485 447 Q N 0.842 120.464 119.800 -0.297 0.000 2.356 447 Q HA 0.327 4.667 4.340 -0.000 0.000 0.205 447 Q C -0.583 175.379 176.000 -0.063 0.000 0.901 447 Q CA -0.007 55.525 55.803 -0.450 0.000 0.938 447 Q CB -0.114 28.184 28.738 -0.733 0.000 1.081 447 Q HN 0.679 nan 8.270 nan 0.000 0.517 448 N N 1.507 120.194 118.700 -0.022 0.000 2.454 448 N HA -0.031 4.709 4.740 -0.000 0.000 0.254 448 N C -0.337 175.169 175.510 -0.007 0.000 1.228 448 N CA 0.034 53.035 53.050 -0.082 0.000 0.900 448 N CB 0.283 38.611 38.487 -0.264 0.000 1.089 448 N HN 0.001 nan 8.380 nan 0.000 0.449 449 N N 0.932 119.648 118.700 0.027 0.000 2.462 449 N HA 0.096 4.836 4.740 -0.000 0.000 0.242 449 N C -0.445 174.994 175.510 -0.118 0.000 1.010 449 N CA -0.178 52.930 53.050 0.096 0.000 0.939 449 N CB 0.236 38.861 38.487 0.230 0.000 1.127 449 N HN 0.545 nan 8.380 nan 0.000 0.509 450 H N 1.723 120.781 119.070 -0.020 0.000 2.548 450 H HA 0.171 4.727 4.556 -0.000 0.000 0.268 450 H C 1.468 176.696 175.328 -0.166 0.000 0.975 450 H CA 1.038 57.009 56.048 -0.129 0.000 1.195 450 H CB 0.669 30.441 29.762 0.017 0.000 1.397 450 H HN 0.673 nan 8.280 nan 0.000 0.572 451 A N -0.425 122.382 122.820 -0.021 0.000 1.984 451 A HA 0.058 4.377 4.320 -0.000 0.000 0.214 451 A C 1.295 178.593 177.584 -0.477 0.000 1.173 451 A CA 0.787 52.690 52.037 -0.222 0.000 0.673 451 A CB -0.073 18.780 19.000 -0.245 0.000 0.830 451 A HN 0.306 nan 8.150 nan 0.000 0.453 452 F N -0.709 119.117 119.950 -0.206 0.000 2.592 452 F HA 0.147 4.673 4.527 -0.000 0.000 0.280 452 F C 1.564 177.284 175.800 -0.134 0.000 1.083 452 F CA 0.522 58.411 58.000 -0.185 0.000 1.365 452 F CB 0.520 39.378 39.000 -0.237 0.000 1.100 452 F HN 0.121 nan 8.300 nan 0.000 0.633 453 D N -0.854 119.570 120.400 0.039 0.000 2.525 453 D HA 0.037 4.677 4.640 -0.000 0.000 0.248 453 D C 1.012 177.250 176.300 -0.104 0.000 1.000 453 D CA 0.876 54.862 54.000 -0.024 0.000 0.923 453 D CB -0.760 40.026 40.800 -0.023 0.000 1.101 453 D HN 0.133 nan 8.370 nan 0.000 0.493 454 T N 0.192 114.634 114.554 -0.188 0.000 2.932 454 T HA 0.257 4.607 4.350 -0.000 0.000 0.312 454 T C 0.100 174.649 174.700 -0.251 0.000 1.071 454 T CA -0.199 61.751 62.100 -0.251 0.000 1.128 454 T CB 1.150 69.802 68.868 -0.359 0.000 0.984 454 T HN -0.159 nan 8.240 nan 0.000 0.549 455 K N 2.731 123.011 120.400 -0.200 0.000 2.507 455 K HA 0.497 4.817 4.320 -0.000 0.000 0.252 455 K C -0.352 176.196 176.600 -0.086 0.000 0.943 455 K CA -1.014 55.201 56.287 -0.120 0.000 0.808 455 K CB 1.807 34.270 32.500 -0.062 0.000 1.142 455 K HN 0.539 nan 8.250 nan 0.000 0.426 456 R N 0.322 120.818 120.500 -0.008 0.000 2.869 456 R HA 0.337 4.676 4.340 -0.000 0.000 0.263 456 R C -0.390 176.020 176.300 0.184 0.000 1.066 456 R CA -0.948 55.224 56.100 0.119 0.000 0.960 456 R CB 1.619 32.033 30.300 0.189 0.000 1.221 456 R HN 0.681 nan 8.270 nan 0.000 0.474 457 S N 1.761 117.564 115.700 0.171 0.000 2.548 457 S HA 0.177 4.647 4.470 -0.000 0.000 0.277 457 S C -1.476 173.094 174.600 -0.050 0.000 1.315 457 S CA -1.000 57.222 58.200 0.037 0.000 1.050 457 S CB 0.737 63.935 63.200 -0.003 0.000 0.918 457 S HN 0.356 nan 8.310 nan 0.000 0.497 458 P HA 0.112 nan 4.420 nan 0.000 0.239 458 P C 1.096 178.079 177.300 -0.527 0.000 1.184 458 P CA 1.128 63.637 63.100 -0.985 0.000 0.760 458 P CB -0.666 30.366 31.700 -1.113 0.000 0.884 459 A N 0.345 123.043 122.820 -0.203 0.000 5.295 459 A HA -0.287 4.033 4.320 -0.000 0.000 0.313 459 A C 1.745 179.286 177.584 -0.071 0.000 1.912 459 A CA 1.938 53.931 52.037 -0.072 0.000 0.714 459 A CB -2.427 16.589 19.000 0.027 0.000 1.319 459 A HN 0.207 nan 8.150 nan 0.000 0.375 460 S N 0.624 116.327 115.700 0.004 0.000 2.631 460 S HA 0.240 4.710 4.470 -0.000 0.000 0.217 460 S C 1.414 176.051 174.600 0.062 0.000 0.958 460 S CA 1.299 59.525 58.200 0.044 0.000 0.920 460 S CB -0.578 62.666 63.200 0.074 0.000 0.776 460 S HN 1.457 nan 8.310 nan 0.000 0.517 461 T N -2.229 112.333 114.554 0.014 0.000 3.122 461 T HA 0.082 4.432 4.350 -0.000 0.000 0.250 461 T C 1.336 176.125 174.700 0.148 0.000 1.067 461 T CA 0.090 62.262 62.100 0.120 0.000 0.966 461 T CB -0.099 68.843 68.868 0.123 0.000 1.002 461 T HN 0.141 nan 8.240 nan 0.000 0.542 462 T N 1.894 116.448 114.554 -0.000 0.000 2.985 462 T HA 0.083 4.433 4.350 -0.000 0.000 0.266 462 T C 1.774 176.415 174.700 -0.099 0.000 1.076 462 T CA 0.586 62.642 62.100 -0.073 0.000 1.135 462 T CB -0.062 68.700 68.868 -0.177 0.000 0.890 462 T HN 0.444 nan 8.240 nan 0.000 0.480 463 K N 1.242 121.602 120.400 -0.066 0.000 2.034 463 K HA -0.135 4.185 4.320 -0.000 0.000 0.214 463 K C -0.711 175.818 176.600 -0.119 0.000 1.051 463 K CA 1.702 57.899 56.287 -0.150 0.000 0.931 463 K CB -1.040 31.454 32.500 -0.011 0.000 0.715 463 K HN 0.294 nan 8.250 nan 0.000 0.446 464 P HA -0.106 nan 4.420 nan 0.000 0.221 464 P C 0.852 178.072 177.300 -0.134 0.000 1.150 464 P CA 1.119 64.228 63.100 0.015 0.000 0.800 464 P CB 0.125 31.832 31.700 0.011 0.000 0.787 465 L N -2.231 118.896 121.223 -0.161 0.000 2.221 465 L HA 0.085 4.425 4.340 -0.000 0.000 0.202 465 L C 2.336 179.166 176.870 -0.067 0.000 1.074 465 L CA 0.900 55.684 54.840 -0.093 0.000 0.795 465 L CB -0.923 41.087 42.059 -0.081 0.000 0.960 465 L HN -0.118 nan 8.230 nan 0.000 0.458 466 L N -0.977 120.145 121.223 -0.168 0.000 2.249 466 L HA 0.178 4.518 4.340 -0.000 0.000 0.207 466 L C 2.181 178.922 176.870 -0.215 0.000 1.090 466 L CA 0.811 55.526 54.840 -0.208 0.000 0.802 466 L CB 0.130 42.023 42.059 -0.277 0.000 0.947 466 L HN 0.214 nan 8.230 nan 0.000 0.453 467 A N -1.183 121.470 122.820 -0.278 0.000 2.182 467 A HA 0.047 4.367 4.320 -0.000 0.000 0.222 467 A C 1.680 179.150 177.584 -0.189 0.000 1.904 467 A CA 0.284 52.138 52.037 -0.304 0.000 0.808 467 A CB -0.889 17.767 19.000 -0.573 0.000 1.404 467 A HN 0.264 nan 8.150 nan 0.000 0.587 468 Y N 0.742 121.020 120.300 -0.036 0.000 2.109 468 Y HA 0.012 4.562 4.550 -0.000 0.000 0.285 468 Y C 2.855 178.705 175.900 -0.083 0.000 1.131 468 Y CA 0.608 58.677 58.100 -0.052 0.000 1.121 468 Y CB -1.521 36.910 38.460 -0.049 0.000 0.987 468 Y HN 0.319 nan 8.280 nan 0.000 0.495 469 G N 0.889 109.703 108.800 0.024 0.000 2.649 469 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.220 469 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.220 469 G C 1.785 176.723 174.900 0.064 0.000 1.189 469 G CA 2.011 47.043 45.100 -0.113 0.000 0.777 469 G HN 0.423 nan 8.290 nan 0.000 0.602 470 I N 1.322 121.910 120.570 0.030 0.000 2.127 470 I HA -0.233 3.937 4.170 -0.000 0.000 0.241 470 I C 3.350 179.438 176.117 -0.048 0.000 1.075 470 I CA 1.266 62.457 61.300 -0.181 0.000 1.334 470 I CB -0.398 37.317 38.000 -0.476 0.000 1.040 470 I HN 0.298 nan 8.210 nan 0.000 0.405 471 A N 1.048 123.867 122.820 -0.001 0.000 1.858 471 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 471 A C 2.327 179.934 177.584 0.038 0.000 1.190 471 A CA 1.459 53.518 52.037 0.037 0.000 0.617 471 A CB -0.922 18.115 19.000 0.061 0.000 0.827 471 A HN 0.365 nan 8.150 nan 0.000 0.443 472 I N -0.134 120.438 120.570 0.003 0.000 2.181 472 I HA -0.330 3.840 4.170 -0.000 0.000 0.247 472 I C 2.186 178.336 176.117 0.055 0.000 1.081 472 I CA 2.248 63.520 61.300 -0.046 0.000 1.340 472 I CB -0.429 37.540 38.000 -0.052 0.000 1.036 472 I HN 0.431 nan 8.210 nan 0.000 0.417 473 D N -0.027 120.439 120.400 0.110 0.000 2.312 473 D HA -0.141 4.499 4.640 -0.000 0.000 0.211 473 D C 1.479 177.895 176.300 0.192 0.000 0.964 473 D CA 0.731 54.846 54.000 0.192 0.000 0.877 473 D CB 0.208 41.202 40.800 0.323 0.000 0.924 473 D HN 0.221 nan 8.370 nan 0.000 0.515 474 Q N -0.294 119.601 119.800 0.158 0.000 2.225 474 Q HA 0.232 4.572 4.340 -0.000 0.000 0.259 474 Q C 0.909 177.010 176.000 0.168 0.000 0.872 474 Q CA 0.125 56.024 55.803 0.160 0.000 1.042 474 Q CB 0.607 29.427 28.738 0.136 0.000 1.142 474 Q HN 0.304 nan 8.270 nan 0.000 0.463 475 G N 1.580 110.499 108.800 0.197 0.000 2.473 475 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.307 475 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.307 475 G C 0.651 175.764 174.900 0.354 0.000 0.937 475 G CA 0.584 45.868 45.100 0.306 0.000 0.947 475 G HN 0.472 nan 8.290 nan 0.000 0.513 476 L N -1.498 119.851 121.223 0.210 0.000 2.592 476 L HA 0.459 4.799 4.340 -0.000 0.000 0.227 476 L C 1.365 178.330 176.870 0.158 0.000 1.127 476 L CA 0.626 55.591 54.840 0.209 0.000 0.884 476 L CB -0.259 41.877 42.059 0.129 0.000 1.065 476 L HN 0.687 nan 8.230 nan 0.000 0.457 477 M N -2.840 116.707 119.600 -0.088 0.000 2.833 477 M HA 0.739 5.219 4.480 -0.000 0.000 0.270 477 M C -0.935 174.541 176.300 -1.373 0.000 1.209 477 M CA -0.697 54.236 55.300 -0.611 0.000 0.826 477 M CB 1.623 34.065 32.600 -0.263 0.000 1.657 477 M HN -0.182 nan 8.290 nan 0.000 0.492 478 G N -0.145 107.546 108.800 -1.849 0.000 2.818 478 G HA2 0.499 4.458 3.960 -0.000 0.000 0.286 478 G HA3 0.499 4.458 3.960 -0.000 0.000 0.286 478 G C 0.283 174.817 174.900 -0.609 0.000 1.364 478 G CA -0.142 44.058 45.100 -1.500 0.000 0.938 478 G HN 1.161 nan 8.290 nan 0.000 0.490 479 S N -0.552 114.951 115.700 -0.329 0.000 2.389 479 S HA -0.168 4.302 4.470 -0.000 0.000 0.231 479 S C 0.860 175.383 174.600 -0.129 0.000 1.052 479 S CA 2.317 60.447 58.200 -0.117 0.000 1.053 479 S CB -0.205 63.054 63.200 0.099 0.000 0.886 479 S HN 0.520 nan 8.310 nan 0.000 0.456 480 E N 1.628 121.755 120.200 -0.122 0.000 3.167 480 E HA 0.262 4.611 4.350 -0.000 0.000 0.210 480 E C -0.138 176.446 176.600 -0.026 0.000 1.004 480 E CA -0.161 56.196 56.400 -0.072 0.000 1.256 480 E CB 0.451 30.115 29.700 -0.061 0.000 1.193 480 E HN 0.477 nan 8.360 nan 0.000 0.448 481 T N 0.915 115.432 114.554 -0.061 0.000 2.715 481 T HA 0.310 4.659 4.350 -0.000 0.000 0.320 481 T C 0.653 175.356 174.700 0.005 0.000 1.046 481 T CA -0.055 62.056 62.100 0.019 0.000 0.983 481 T CB 0.890 69.757 68.868 -0.002 0.000 1.183 481 T HN 0.067 nan 8.240 nan 0.000 0.522 482 I N 1.154 121.746 120.570 0.037 0.000 2.569 482 I HA 0.404 4.574 4.170 -0.000 0.000 0.290 482 I C -1.268 174.822 176.117 -0.044 0.000 1.088 482 I CA -0.613 60.693 61.300 0.010 0.000 1.047 482 I CB 1.788 39.855 38.000 0.112 0.000 1.237 482 I HN 0.421 nan 8.210 nan 0.000 0.421 483 L N 3.826 125.005 121.223 -0.073 0.000 2.362 483 L HA 0.425 4.765 4.340 -0.000 0.000 0.271 483 L C 0.529 177.327 176.870 -0.121 0.000 1.002 483 L CA -0.517 54.287 54.840 -0.061 0.000 0.818 483 L CB 1.782 43.868 42.059 0.046 0.000 1.298 483 L HN 0.572 nan 8.230 nan 0.000 0.420 484 S N 1.670 117.283 115.700 -0.146 0.000 2.481 484 S HA 0.025 4.495 4.470 -0.000 0.000 0.282 484 S C 0.701 175.300 174.600 -0.001 0.000 1.243 484 S CA -0.207 57.927 58.200 -0.109 0.000 1.078 484 S CB -0.067 63.061 63.200 -0.120 0.000 0.916 484 S HN 0.766 nan 8.310 nan 0.000 0.495 485 N N 4.492 123.048 118.700 -0.240 0.000 2.279 485 N HA 0.026 4.766 4.740 -0.000 0.000 0.226 485 N C -0.986 174.324 175.510 -0.334 0.000 1.126 485 N CA -0.285 52.585 53.050 -0.300 0.000 0.846 485 N CB 0.043 38.166 38.487 -0.606 0.000 1.050 485 N HN 0.646 nan 8.380 nan 0.000 0.502 486 Y N 1.539 121.743 120.300 -0.160 0.000 2.597 486 Y HA 0.123 4.673 4.550 -0.000 0.000 0.336 486 Y C -1.602 174.265 175.900 -0.055 0.000 1.216 486 Y CA -1.019 57.004 58.100 -0.128 0.000 1.463 486 Y CB -0.112 38.274 38.460 -0.125 0.000 1.303 486 Y HN 0.187 nan 8.280 nan 0.000 0.576 487 P HA -0.091 nan 4.420 nan 0.000 0.269 487 P C -0.264 177.057 177.300 0.034 0.000 1.185 487 P CA 0.782 63.896 63.100 0.024 0.000 0.769 487 P CB 0.490 32.206 31.700 0.028 0.000 0.809 488 T N 1.259 115.764 114.554 -0.082 0.000 2.886 488 T HA 0.265 4.615 4.350 -0.000 0.000 0.341 488 T C -1.881 172.626 174.700 -0.322 0.000 1.839 488 T CA -0.764 61.265 62.100 -0.119 0.000 1.052 488 T CB 0.282 69.148 68.868 -0.003 0.000 1.715 488 T HN 0.194 nan 8.240 nan 0.000 0.504 489 N N 1.356 119.884 118.700 -0.287 0.000 2.314 489 N HA 0.591 5.331 4.740 -0.000 0.000 0.304 489 N C -0.352 174.935 175.510 -0.372 0.000 1.073 489 N CA -0.547 52.308 53.050 -0.325 0.000 0.822 489 N CB 0.769 39.187 38.487 -0.115 0.000 1.280 489 N HN 0.435 nan 8.380 nan 0.000 0.489 490 F N 1.041 120.866 119.950 -0.208 0.000 2.696 490 F HA -0.034 4.493 4.527 -0.000 0.000 0.319 490 F C 1.956 177.730 175.800 -0.044 0.000 1.218 490 F CA 0.048 57.971 58.000 -0.129 0.000 1.369 490 F CB 0.071 39.026 39.000 -0.076 0.000 1.111 490 F HN 0.615 nan 8.300 nan 0.000 0.615 491 A N 0.842 123.807 122.820 0.241 0.000 2.066 491 A HA -0.163 4.157 4.320 -0.000 0.000 0.218 491 A C 1.837 179.485 177.584 0.106 0.000 1.157 491 A CA 1.195 53.317 52.037 0.141 0.000 0.670 491 A CB -1.086 17.990 19.000 0.126 0.000 0.804 491 A HN 0.785 nan 8.150 nan 0.000 0.453 492 N N -0.603 118.167 118.700 0.117 0.000 2.519 492 N HA 0.094 4.834 4.740 -0.000 0.000 0.186 492 N C 1.197 176.751 175.510 0.073 0.000 1.062 492 N CA 1.736 54.832 53.050 0.077 0.000 0.910 492 N CB -0.657 37.864 38.487 0.057 0.000 0.958 492 N HN 0.830 nan 8.380 nan 0.000 0.445 493 G N -0.809 108.040 108.800 0.082 0.000 2.234 493 G HA2 -0.292 3.667 3.960 -0.000 0.000 0.235 493 G HA3 -0.292 3.667 3.960 -0.000 0.000 0.235 493 G C -0.390 174.541 174.900 0.052 0.000 0.997 493 G CA 0.038 45.171 45.100 0.055 0.000 0.623 493 G HN 0.589 nan 8.290 nan 0.000 0.514 494 N N 3.302 122.059 118.700 0.095 0.000 2.513 494 N HA 0.427 5.167 4.740 -0.000 0.000 0.268 494 N C -2.454 173.080 175.510 0.039 0.000 1.180 494 N CA -1.024 52.085 53.050 0.098 0.000 0.948 494 N CB 1.050 39.630 38.487 0.155 0.000 1.083 494 N HN 0.164 nan 8.380 nan 0.000 0.455 495 P HA -0.034 nan 4.420 nan 0.000 0.264 495 P C -0.214 176.956 177.300 -0.217 0.000 1.193 495 P CA 0.477 63.508 63.100 -0.115 0.000 0.763 495 P CB 0.567 32.242 31.700 -0.041 0.000 0.810 496 I N 4.449 124.713 120.570 -0.510 0.000 2.581 496 I HA 0.038 4.208 4.170 -0.000 0.000 0.285 496 I C 1.188 177.208 176.117 -0.162 0.000 1.129 496 I CA 0.507 61.452 61.300 -0.592 0.000 1.397 496 I CB -0.057 37.435 38.000 -0.848 0.000 1.399 496 I HN 0.164 nan 8.210 nan 0.000 0.537 497 M N 6.777 126.379 119.600 0.004 0.000 2.654 497 M HA 0.308 4.788 4.480 -0.000 0.000 0.310 497 M C -0.873 175.539 176.300 0.187 0.000 1.211 497 M CA -0.684 54.673 55.300 0.095 0.000 0.947 497 M CB 1.875 34.524 32.600 0.082 0.000 1.647 497 M HN 0.397 nan 8.290 nan 0.000 0.481 498 Y N 0.982 121.332 120.300 0.084 0.000 2.402 498 Y HA 0.509 5.059 4.550 -0.000 0.000 0.325 498 Y C 0.343 176.232 175.900 -0.018 0.000 1.009 498 Y CA 0.454 58.578 58.100 0.040 0.000 1.278 498 Y CB 0.609 39.115 38.460 0.076 0.000 1.105 498 Y HN 1.013 nan 8.280 nan 0.000 0.476 499 A N 4.132 126.786 122.820 -0.277 0.000 5.093 499 A HA -0.396 3.924 4.320 -0.000 0.000 0.329 499 A C 1.188 178.738 177.584 -0.057 0.000 1.836 499 A CA 2.004 53.895 52.037 -0.243 0.000 0.707 499 A CB -1.619 17.170 19.000 -0.352 0.000 1.389 499 A HN 0.739 nan 8.150 nan 0.000 0.383 500 N N 0.284 118.988 118.700 0.006 0.000 2.254 500 N HA 0.189 4.929 4.740 -0.000 0.000 0.190 500 N C 0.271 175.848 175.510 0.111 0.000 1.107 500 N CA 0.923 54.007 53.050 0.055 0.000 0.869 500 N CB 0.445 38.948 38.487 0.028 0.000 0.983 500 N HN 0.576 nan 8.380 nan 0.000 0.487 501 S N 0.294 116.118 115.700 0.205 0.000 2.565 501 S HA 0.221 4.691 4.470 -0.000 0.000 0.274 501 S C 1.134 175.852 174.600 0.197 0.000 1.309 501 S CA -0.255 58.094 58.200 0.248 0.000 1.043 501 S CB 1.215 64.690 63.200 0.459 0.000 0.939 501 S HN 0.060 nan 8.310 nan 0.000 0.504 502 K N 2.005 122.476 120.400 0.119 0.000 2.444 502 K HA 0.253 4.573 4.320 -0.000 0.000 0.193 502 K C 0.816 177.433 176.600 0.029 0.000 1.024 502 K CA 0.390 56.714 56.287 0.061 0.000 1.077 502 K CB 0.150 32.667 32.500 0.028 0.000 0.833 502 K HN 0.864 nan 8.250 nan 0.000 0.517 503 G N 0.362 109.180 108.800 0.030 0.000 2.371 503 G HA2 -0.101 3.858 3.960 -0.000 0.000 0.663 503 G HA3 -0.101 3.858 3.960 -0.000 0.000 0.663 503 G C -0.623 174.094 174.900 -0.305 0.000 1.311 503 G CA -0.433 44.563 45.100 -0.172 0.000 0.985 503 G HN 0.016 nan 8.290 nan 0.000 0.566 504 T N -2.769 111.472 114.554 -0.522 0.000 4.200 504 T HA 0.640 4.990 4.350 -0.000 0.000 0.210 504 T C 1.414 175.646 174.700 -0.780 0.000 0.898 504 T CA 1.139 62.899 62.100 -0.566 0.000 1.549 504 T CB 0.103 68.581 68.868 -0.651 0.000 0.757 504 T HN 2.826 nan 8.240 nan 0.000 0.613 505 G N 3.355 111.476 108.800 -1.131 0.000 2.681 505 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.320 505 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.320 505 G C 0.126 174.372 174.900 -1.090 0.000 1.339 505 G CA -0.118 43.845 45.100 -1.893 0.000 0.916 505 G HN 0.761 nan 8.290 nan 0.000 0.559 506 M N 0.218 119.379 119.600 -0.731 0.000 2.226 506 M HA 0.556 5.036 4.480 -0.000 0.000 0.324 506 M C 0.807 176.903 176.300 -0.339 0.000 1.112 506 M CA 0.553 55.627 55.300 -0.377 0.000 1.176 506 M CB 0.460 32.957 32.600 -0.171 0.000 1.430 506 M HN 0.966 nan 8.290 nan 0.000 0.462 507 M N -0.387 119.059 119.600 -0.257 0.000 2.603 507 M HA 0.518 4.997 4.480 -0.000 0.000 0.275 507 M C -0.398 175.825 176.300 -0.129 0.000 1.226 507 M CA -0.951 54.221 55.300 -0.214 0.000 0.870 507 M CB 1.880 34.297 32.600 -0.306 0.000 1.716 507 M HN 0.657 nan 8.290 nan 0.000 0.482 508 T N -0.229 114.267 114.554 -0.097 0.000 2.860 508 T HA 0.243 4.593 4.350 -0.000 0.000 0.299 508 T C 0.887 175.532 174.700 -0.092 0.000 1.045 508 T CA -0.486 61.570 62.100 -0.074 0.000 1.071 508 T CB 0.971 69.806 68.868 -0.055 0.000 0.985 508 T HN 0.753 nan 8.240 nan 0.000 0.537 509 L N 3.469 124.617 121.223 -0.125 0.000 1.997 509 L HA 0.044 4.384 4.340 -0.000 0.000 0.216 509 L C 2.595 179.361 176.870 -0.174 0.000 1.074 509 L CA 2.832 57.541 54.840 -0.218 0.000 0.763 509 L CB -1.616 40.294 42.059 -0.249 0.000 0.890 509 L HN 1.033 nan 8.230 nan 0.000 0.434 510 G N -1.075 107.667 108.800 -0.097 0.000 2.766 510 G HA2 -0.455 3.504 3.960 -0.000 0.000 0.222 510 G HA3 -0.455 3.504 3.960 -0.000 0.000 0.222 510 G C 1.501 176.423 174.900 0.037 0.000 1.225 510 G CA 1.125 46.209 45.100 -0.026 0.000 0.784 510 G HN 0.589 nan 8.290 nan 0.000 0.631 511 E N 0.377 120.607 120.200 0.050 0.000 2.118 511 E HA -0.105 4.245 4.350 -0.000 0.000 0.195 511 E C 2.861 179.601 176.600 0.233 0.000 0.992 511 E CA 1.036 57.522 56.400 0.145 0.000 0.804 511 E CB -0.249 29.463 29.700 0.020 0.000 0.741 511 E HN 0.414 nan 8.360 nan 0.000 0.458 512 A N 0.529 123.417 122.820 0.114 0.000 1.897 512 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 512 A C 2.126 179.849 177.584 0.231 0.000 1.181 512 A CA 0.811 52.974 52.037 0.209 0.000 0.620 512 A CB -0.474 18.575 19.000 0.082 0.000 0.821 512 A HN 0.243 nan 8.150 nan 0.000 0.443 513 L N -0.280 120.994 121.223 0.084 0.000 2.093 513 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 513 L C 2.224 179.177 176.870 0.140 0.000 1.085 513 L CA 1.348 56.254 54.840 0.110 0.000 0.755 513 L CB -0.492 41.578 42.059 0.018 0.000 0.904 513 L HN 0.476 nan 8.230 nan 0.000 0.435 514 N N -1.534 117.262 118.700 0.161 0.000 2.453 514 N HA -0.156 4.584 4.740 -0.000 0.000 0.183 514 N C 1.073 176.567 175.510 -0.026 0.000 1.041 514 N CA 0.861 53.968 53.050 0.096 0.000 0.900 514 N CB 0.200 38.776 38.487 0.149 0.000 0.961 514 N HN 0.325 nan 8.380 nan 0.000 0.443 515 Y N -0.645 119.675 120.300 0.033 0.000 2.430 515 Y HA 0.227 4.777 4.550 -0.000 0.000 0.254 515 Y C 0.866 176.740 175.900 -0.044 0.000 1.088 515 Y CA -0.167 57.887 58.100 -0.076 0.000 1.267 515 Y CB 0.726 39.017 38.460 -0.283 0.000 1.204 515 Y HN -0.275 nan 8.280 nan 0.000 0.515 516 S N 0.491 116.324 115.700 0.222 0.000 3.711 516 S HA -0.224 4.246 4.470 -0.000 0.000 0.374 516 S C -0.377 174.443 174.600 0.366 0.000 0.969 516 S CA -0.083 58.281 58.200 0.273 0.000 1.198 516 S CB -1.429 61.895 63.200 0.208 0.000 0.903 516 S HN 0.467 nan 8.310 nan 0.000 0.493 517 W N 1.728 123.143 121.300 0.193 0.000 2.158 517 W HA 0.277 4.937 4.660 -0.000 0.000 0.339 517 W C 1.463 178.102 176.519 0.198 0.000 1.294 517 W CA -0.471 56.888 57.345 0.023 0.000 1.231 517 W CB 0.267 29.622 29.460 -0.175 0.000 1.143 517 W HN 0.282 nan 8.180 nan 0.000 0.571 518 N N 1.602 120.610 118.700 0.513 0.000 2.251 518 N HA -0.084 4.656 4.740 -0.000 0.000 0.181 518 N C 1.740 177.395 175.510 0.242 0.000 1.019 518 N CA 1.044 54.291 53.050 0.329 0.000 0.862 518 N CB -0.224 38.425 38.487 0.269 0.000 0.992 518 N HN 0.454 nan 8.380 nan 0.000 0.429 519 I N 1.800 122.479 120.570 0.182 0.000 2.151 519 I HA -0.229 3.941 4.170 -0.000 0.000 0.243 519 I C -0.754 175.494 176.117 0.218 0.000 1.080 519 I CA 1.462 62.806 61.300 0.073 0.000 1.339 519 I CB -1.289 36.717 38.000 0.010 0.000 1.039 519 I HN 0.070 nan 8.210 nan 0.000 0.409 520 P HA -0.239 nan 4.420 nan 0.000 0.217 520 P C 1.399 178.940 177.300 0.402 0.000 1.151 520 P CA 2.088 65.413 63.100 0.374 0.000 0.849 520 P CB -0.033 31.865 31.700 0.330 0.000 0.787 521 A N -1.463 121.549 122.820 0.319 0.000 1.872 521 A HA -0.215 4.105 4.320 -0.000 0.000 0.214 521 A C 2.271 179.916 177.584 0.101 0.000 1.187 521 A CA 1.433 53.529 52.037 0.097 0.000 0.614 521 A CB -1.947 17.078 19.000 0.041 0.000 0.826 521 A HN 0.190 nan 8.150 nan 0.000 0.442 522 Y N -0.904 119.403 120.300 0.012 0.000 2.151 522 Y HA -0.315 4.235 4.550 -0.000 0.000 0.284 522 Y C 2.071 177.937 175.900 -0.055 0.000 1.166 522 Y CA 2.115 60.170 58.100 -0.075 0.000 1.163 522 Y CB -0.450 37.847 38.460 -0.272 0.000 0.974 522 Y HN 0.466 nan 8.280 nan 0.000 0.511 523 W N -0.078 121.281 121.300 0.099 0.000 2.519 523 W HA -0.099 4.561 4.660 -0.000 0.000 0.266 523 W C 2.367 178.858 176.519 -0.046 0.000 1.253 523 W CA 1.041 58.374 57.345 -0.019 0.000 1.274 523 W CB -0.247 29.278 29.460 0.108 0.000 1.114 523 W HN -0.044 nan 8.180 nan 0.000 0.596 524 T N -0.221 114.471 114.554 0.230 0.000 2.643 524 T HA -0.292 4.058 4.350 -0.000 0.000 0.256 524 T C 1.361 176.125 174.700 0.107 0.000 1.061 524 T CA 1.413 63.612 62.100 0.166 0.000 1.163 524 T CB -1.060 67.893 68.868 0.141 0.000 0.865 524 T HN 0.011 nan 8.240 nan 0.000 0.407 525 Y N 2.528 122.775 120.300 -0.088 0.000 2.096 525 Y HA -0.261 4.289 4.550 -0.000 0.000 0.278 525 Y C 2.694 178.534 175.900 -0.099 0.000 1.192 525 Y CA 1.623 59.659 58.100 -0.106 0.000 1.143 525 Y CB -0.427 37.955 38.460 -0.130 0.000 0.963 525 Y HN 0.020 nan 8.280 nan 0.000 0.505 526 R N 0.372 120.758 120.500 -0.191 0.000 2.105 526 R HA -0.234 4.105 4.340 -0.000 0.000 0.239 526 R C 2.434 178.668 176.300 -0.110 0.000 1.135 526 R CA 2.027 57.982 56.100 -0.241 0.000 0.967 526 R CB -0.510 29.630 30.300 -0.267 0.000 0.861 526 R HN 0.632 nan 8.270 nan 0.000 0.442 527 M N -0.060 119.533 119.600 -0.011 0.000 2.236 527 M HA -0.078 4.402 4.480 -0.000 0.000 0.266 527 M C 1.816 178.104 176.300 -0.019 0.000 1.070 527 M CA 1.305 56.616 55.300 0.019 0.000 1.137 527 M CB -0.087 32.554 32.600 0.068 0.000 1.378 527 M HN 0.138 nan 8.290 nan 0.000 0.426 528 L N 0.302 121.503 121.223 -0.036 0.000 2.079 528 L HA -0.214 4.126 4.340 -0.000 0.000 0.210 528 L C 2.810 179.616 176.870 -0.108 0.000 1.081 528 L CA 1.477 56.292 54.840 -0.042 0.000 0.752 528 L CB -0.607 41.449 42.059 -0.004 0.000 0.896 528 L HN 0.415 nan 8.230 nan 0.000 0.433 529 R N -0.028 120.338 120.500 -0.223 0.000 2.062 529 R HA -0.132 4.208 4.340 -0.000 0.000 0.229 529 R C 2.102 178.330 176.300 -0.121 0.000 1.128 529 R CA 1.296 57.249 56.100 -0.246 0.000 0.960 529 R CB -0.227 29.819 30.300 -0.424 0.000 0.855 529 R HN 0.432 nan 8.270 nan 0.000 0.432 530 E N 0.622 120.771 120.200 -0.084 0.000 2.209 530 E HA -0.172 4.177 4.350 -0.000 0.000 0.196 530 E C 0.873 177.464 176.600 -0.015 0.000 0.993 530 E CA 1.178 57.558 56.400 -0.033 0.000 0.819 530 E CB -0.133 29.562 29.700 -0.007 0.000 0.745 530 E HN 0.330 nan 8.360 nan 0.000 0.477 531 N N 0.129 118.822 118.700 -0.011 0.000 2.370 531 N HA 0.087 4.827 4.740 -0.000 0.000 0.198 531 N C 0.288 175.798 175.510 0.001 0.000 1.156 531 N CA 0.560 53.614 53.050 0.006 0.000 0.839 531 N CB 0.590 39.092 38.487 0.026 0.000 0.989 531 N HN 0.162 nan 8.380 nan 0.000 0.468 532 G N 0.840 109.629 108.800 -0.018 0.000 2.263 532 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.266 532 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.266 532 G C 0.152 175.052 174.900 -0.001 0.000 0.817 532 G CA 0.116 45.203 45.100 -0.022 0.000 1.111 532 G HN 0.203 nan 8.290 nan 0.000 0.445 533 V N 0.598 120.522 119.914 0.016 0.000 2.644 533 V HA -0.037 4.083 4.120 -0.000 0.000 0.305 533 V C 1.147 177.272 176.094 0.051 0.000 1.053 533 V CA 0.488 62.822 62.300 0.056 0.000 1.186 533 V CB 1.108 32.975 31.823 0.073 0.000 0.895 533 V HN 0.599 nan 8.190 nan 0.000 0.490 534 D N 4.764 125.206 120.400 0.070 0.000 2.600 534 D HA 0.073 4.713 4.640 -0.000 0.000 0.226 534 D C 0.994 177.358 176.300 0.106 0.000 1.119 534 D CA 0.117 54.133 54.000 0.027 0.000 1.051 534 D CB 0.554 41.345 40.800 -0.016 0.000 1.106 534 D HN 0.272 nan 8.370 nan 0.000 0.491 535 V N 3.349 123.293 119.914 0.051 0.000 2.324 535 V HA -0.264 3.856 4.120 -0.000 0.000 0.250 535 V C 2.500 178.565 176.094 -0.048 0.000 1.060 535 V CA 2.010 64.342 62.300 0.052 0.000 1.042 535 V CB -0.482 31.401 31.823 0.099 0.000 0.650 535 V HN 0.536 nan 8.190 nan 0.000 0.450 536 K N 0.193 120.379 120.400 -0.356 0.000 2.209 536 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 536 K C 2.112 178.621 176.600 -0.152 0.000 1.048 536 K CA 1.465 57.428 56.287 -0.539 0.000 0.940 536 K CB -0.528 31.421 32.500 -0.918 0.000 0.729 536 K HN 0.482 nan 8.250 nan 0.000 0.451 537 G N 0.134 108.877 108.800 -0.095 0.000 2.440 537 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.218 537 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.218 537 G C 1.113 175.955 174.900 -0.096 0.000 1.154 537 G CA 0.948 45.985 45.100 -0.105 0.000 0.767 537 G HN 0.326 nan 8.290 nan 0.000 0.552 538 Y N 0.179 120.386 120.300 -0.156 0.000 2.133 538 Y HA -0.036 4.514 4.550 -0.000 0.000 0.287 538 Y C 3.175 178.994 175.900 -0.134 0.000 1.134 538 Y CA 1.369 59.350 58.100 -0.198 0.000 1.133 538 Y CB -0.098 38.227 38.460 -0.226 0.000 0.987 538 Y HN 0.031 nan 8.280 nan 0.000 0.502 539 M N -0.264 119.417 119.600 0.134 0.000 2.279 539 M HA -0.187 4.293 4.480 -0.000 0.000 0.264 539 M C 1.727 178.135 176.300 0.179 0.000 1.062 539 M CA 1.506 56.892 55.300 0.144 0.000 1.099 539 M CB -0.894 31.789 32.600 0.138 0.000 1.394 539 M HN 0.404 nan 8.290 nan 0.000 0.426 540 E N 0.381 120.629 120.200 0.080 0.000 2.112 540 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 540 E C 1.874 178.441 176.600 -0.056 0.000 0.979 540 E CA 0.541 56.966 56.400 0.042 0.000 0.814 540 E CB 0.141 29.853 29.700 0.019 0.000 0.762 540 E HN 0.476 nan 8.360 nan 0.000 0.460 541 K N 0.129 120.462 120.400 -0.113 0.000 2.360 541 K HA -0.090 4.230 4.320 -0.000 0.000 0.201 541 K C 1.740 178.005 176.600 -0.559 0.000 1.046 541 K CA 0.951 57.101 56.287 -0.228 0.000 0.940 541 K CB 0.014 32.390 32.500 -0.206 0.000 0.748 541 K HN 0.229 nan 8.250 nan 0.000 0.465 542 M N -1.231 118.087 119.600 -0.469 0.000 2.441 542 M HA 0.131 4.611 4.480 -0.000 0.000 0.244 542 M C 0.908 176.887 176.300 -0.535 0.000 1.122 542 M CA 0.573 55.381 55.300 -0.820 0.000 1.041 542 M CB 1.021 33.531 32.600 -0.149 0.000 1.438 542 M HN 0.327 nan 8.290 nan 0.000 0.484 543 G N 0.222 108.866 108.800 -0.260 0.000 2.168 543 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.197 543 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.197 543 G C -0.323 174.505 174.900 -0.120 0.000 0.997 543 G CA -0.671 44.346 45.100 -0.138 0.000 0.658 543 G HN 0.426 nan 8.290 nan 0.000 0.513 544 Y N 1.602 121.901 120.300 -0.002 0.000 2.359 544 Y HA 0.449 4.999 4.550 -0.000 0.000 0.330 544 Y C 0.938 176.854 175.900 0.027 0.000 1.143 544 Y CA 0.149 58.260 58.100 0.018 0.000 1.318 544 Y CB 0.681 39.157 38.460 0.026 0.000 1.234 544 Y HN 0.219 nan 8.280 nan 0.000 0.522 545 E N 4.801 125.103 120.200 0.171 0.000 2.101 545 E HA 0.383 4.733 4.350 -0.000 0.000 0.260 545 E C -1.181 175.446 176.600 0.045 0.000 0.897 545 E CA -0.276 56.186 56.400 0.103 0.000 0.744 545 E CB 1.152 30.886 29.700 0.058 0.000 1.140 545 E HN 0.490 nan 8.360 nan 0.000 0.419 546 I N 4.795 125.367 120.570 0.005 0.000 2.355 546 I HA 0.185 4.355 4.170 -0.000 0.000 0.288 546 I C -1.344 174.667 176.117 -0.176 0.000 0.999 546 I CA -1.968 59.216 61.300 -0.194 0.000 1.163 546 I CB 1.647 39.333 38.000 -0.524 0.000 1.316 546 I HN 0.396 nan 8.210 nan 0.000 0.454 547 P HA -0.049 nan 4.420 nan 0.000 0.225 547 P C 0.180 177.446 177.300 -0.056 0.000 1.156 547 P CA 1.088 64.155 63.100 -0.055 0.000 0.787 547 P CB 0.428 32.103 31.700 -0.042 0.000 0.802 548 E N -0.895 119.214 120.200 -0.151 0.000 2.432 548 E HA 0.170 4.519 4.350 -0.000 0.000 0.272 548 E C -0.617 175.895 176.600 -0.147 0.000 0.937 548 E CA -0.792 55.566 56.400 -0.070 0.000 0.812 548 E CB 0.006 29.677 29.700 -0.048 0.000 1.377 548 E HN -0.069 nan 8.360 nan 0.000 0.399 549 Y N 1.146 121.469 120.300 0.039 0.000 2.616 549 Y HA 0.174 4.724 4.550 -0.000 0.000 0.296 549 Y C 1.858 177.856 175.900 0.163 0.000 1.154 549 Y CA 1.004 59.159 58.100 0.093 0.000 1.325 549 Y CB 0.678 39.213 38.460 0.125 0.000 1.007 549 Y HN 0.535 nan 8.280 nan 0.000 0.542 550 G N 0.728 109.644 108.800 0.193 0.000 3.717 550 G HA2 0.417 4.377 3.960 -0.000 0.000 0.258 550 G HA3 0.417 4.377 3.960 -0.000 0.000 0.258 550 G C -0.359 174.604 174.900 0.106 0.000 1.088 550 G CA -0.164 45.023 45.100 0.145 0.000 1.737 550 G HN 0.180 nan 8.290 nan 0.000 0.648 551 I N -0.036 120.617 120.570 0.138 0.000 2.418 551 I HA 0.193 4.363 4.170 -0.000 0.000 0.287 551 I C 0.962 177.165 176.117 0.143 0.000 1.008 551 I CA -0.641 60.703 61.300 0.073 0.000 1.104 551 I CB 2.226 40.215 38.000 -0.017 0.000 1.264 551 I HN 0.298 nan 8.210 nan 0.000 0.438 552 E N 2.470 122.746 120.200 0.126 0.000 2.171 552 E HA -0.224 4.126 4.350 -0.000 0.000 0.197 552 E C 1.507 178.274 176.600 0.279 0.000 0.997 552 E CA 1.693 58.235 56.400 0.237 0.000 0.810 552 E CB -0.043 29.864 29.700 0.344 0.000 0.738 552 E HN 0.741 nan 8.360 nan 0.000 0.467 553 S N 0.032 115.792 115.700 0.099 0.000 2.556 553 S HA 0.079 4.549 4.470 -0.000 0.000 0.216 553 S C 1.629 176.218 174.600 -0.019 0.000 0.970 553 S CA -0.376 57.883 58.200 0.098 0.000 0.912 553 S CB 0.097 63.278 63.200 -0.032 0.000 0.790 553 S HN 0.085 nan 8.310 nan 0.000 0.504 554 L N 3.013 124.187 121.223 -0.082 0.000 2.040 554 L HA -0.116 4.224 4.340 -0.000 0.000 0.228 554 L C -1.101 175.586 176.870 -0.305 0.000 1.092 554 L CA 2.466 57.155 54.840 -0.251 0.000 0.805 554 L CB -1.514 40.289 42.059 -0.427 0.000 0.905 554 L HN 0.200 nan 8.230 nan 0.000 0.443 555 P HA -0.144 nan 4.420 nan 0.000 0.218 555 P C 1.601 178.797 177.300 -0.172 0.000 1.148 555 P CA 1.576 64.498 63.100 -0.297 0.000 0.822 555 P CB -0.104 31.464 31.700 -0.219 0.000 0.784 556 M N -2.059 117.494 119.600 -0.078 0.000 2.659 556 M HA 0.223 4.703 4.480 -0.000 0.000 0.243 556 M C 1.177 177.437 176.300 -0.066 0.000 1.111 556 M CA 0.964 56.249 55.300 -0.025 0.000 1.070 556 M CB -1.027 31.603 32.600 0.049 0.000 1.525 556 M HN 0.007 nan 8.290 nan 0.000 0.517 557 G N -0.439 108.284 108.800 -0.129 0.000 2.132 557 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.234 557 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.234 557 G C 0.339 175.164 174.900 -0.125 0.000 0.989 557 G CA -0.309 44.697 45.100 -0.155 0.000 0.676 557 G HN 0.731 nan 8.290 nan 0.000 0.522 558 G N -0.907 107.826 108.800 -0.112 0.000 2.380 558 G HA2 0.571 4.531 3.960 -0.000 0.000 0.262 558 G HA3 0.571 4.531 3.960 -0.000 0.000 0.262 558 G C 1.398 176.217 174.900 -0.136 0.000 1.243 558 G CA 1.109 46.145 45.100 -0.106 0.000 0.865 558 G HN 1.858 nan 8.290 nan 0.000 0.513 559 G N 0.869 109.597 108.800 -0.119 0.000 2.179 559 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.257 559 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.257 559 G C 0.212 175.017 174.900 -0.159 0.000 1.010 559 G CA 0.587 45.608 45.100 -0.131 0.000 0.736 559 G HN 0.821 nan 8.290 nan 0.000 0.513 560 I N -0.344 120.134 120.570 -0.154 0.000 2.466 560 I HA 0.500 4.669 4.170 -0.000 0.000 0.289 560 I C -0.274 175.769 176.117 -0.124 0.000 1.026 560 I CA -0.710 60.489 61.300 -0.168 0.000 1.078 560 I CB 2.173 40.036 38.000 -0.228 0.000 1.249 560 I HN 0.043 nan 8.210 nan 0.000 0.429 561 E N 5.012 125.159 120.200 -0.089 0.000 2.210 561 E HA 0.676 5.026 4.350 -0.000 0.000 0.266 561 E C -1.204 175.370 176.600 -0.043 0.000 0.883 561 E CA -0.585 55.782 56.400 -0.055 0.000 0.761 561 E CB 2.877 32.556 29.700 -0.036 0.000 1.156 561 E HN 0.468 nan 8.360 nan 0.000 0.412 562 V N -0.437 119.456 119.914 -0.035 0.000 3.181 562 V HA 0.713 4.833 4.120 -0.000 0.000 0.308 562 V C -0.262 175.858 176.094 0.043 0.000 1.214 562 V CA -0.959 61.336 62.300 -0.009 0.000 1.053 562 V CB 1.591 33.375 31.823 -0.064 0.000 1.069 562 V HN 0.720 nan 8.190 nan 0.000 0.441 563 T N -1.374 113.205 114.554 0.042 0.000 2.943 563 T HA 0.605 4.955 4.350 -0.000 0.000 0.284 563 T C 0.986 175.764 174.700 0.129 0.000 1.015 563 T CA -0.035 62.075 62.100 0.017 0.000 1.042 563 T CB 1.564 70.393 68.868 -0.064 0.000 1.055 563 T HN 0.773 nan 8.240 nan 0.000 0.500 564 V N 1.871 121.828 119.914 0.073 0.000 2.255 564 V HA -0.161 3.959 4.120 -0.000 0.000 0.247 564 V C 3.145 179.259 176.094 0.033 0.000 1.051 564 V CA 2.351 64.754 62.300 0.172 0.000 1.018 564 V CB -1.731 30.105 31.823 0.023 0.000 0.641 564 V HN 1.118 nan 8.190 nan 0.000 0.445 565 A N 0.179 122.846 122.820 -0.254 0.000 1.909 565 A HA -0.402 3.918 4.320 -0.000 0.000 0.221 565 A C 2.207 179.743 177.584 -0.081 0.000 1.223 565 A CA 2.941 54.784 52.037 -0.323 0.000 0.658 565 A CB -0.687 17.931 19.000 -0.636 0.000 0.831 565 A HN 0.612 nan 8.150 nan 0.000 0.462 566 Q N -1.487 118.296 119.800 -0.028 0.000 2.269 566 Q HA -0.093 4.247 4.340 -0.000 0.000 0.201 566 Q C 1.732 177.738 176.000 0.010 0.000 0.946 566 Q CA 2.133 57.914 55.803 -0.037 0.000 0.877 566 Q CB -0.545 28.144 28.738 -0.082 0.000 0.963 566 Q HN 0.874 nan 8.270 nan 0.000 0.472 567 H N -1.433 117.654 119.070 0.027 0.000 2.553 567 H HA 0.113 4.669 4.556 -0.000 0.000 0.276 567 H C 1.010 176.485 175.328 0.245 0.000 0.979 567 H CA 0.868 57.008 56.048 0.152 0.000 1.268 567 H CB 0.712 30.562 29.762 0.147 0.000 1.450 567 H HN 0.280 nan 8.280 nan 0.000 0.527 568 T N 1.048 115.728 114.554 0.211 0.000 2.778 568 T HA -0.173 4.177 4.350 -0.000 0.000 0.269 568 T C 1.806 176.605 174.700 0.166 0.000 1.050 568 T CA 1.507 63.703 62.100 0.161 0.000 1.137 568 T CB -0.297 68.645 68.868 0.124 0.000 0.860 568 T HN 0.359 nan 8.240 nan 0.000 0.468 569 N N 0.611 119.396 118.700 0.142 0.000 2.396 569 N HA 0.000 4.740 4.740 -0.000 0.000 0.180 569 N C 1.945 177.588 175.510 0.222 0.000 1.028 569 N CA 1.153 54.309 53.050 0.176 0.000 0.893 569 N CB -0.501 38.087 38.487 0.168 0.000 0.967 569 N HN 0.458 nan 8.380 nan 0.000 0.440 570 G N -1.593 107.321 108.800 0.189 0.000 2.408 570 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.215 570 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.215 570 G C 1.201 176.136 174.900 0.059 0.000 1.156 570 G CA 0.283 45.515 45.100 0.220 0.000 0.793 570 G HN 0.303 nan 8.290 nan 0.000 0.535 571 Y N 0.359 120.671 120.300 0.020 0.000 2.286 571 Y HA -0.035 4.515 4.550 -0.000 0.000 0.293 571 Y C 2.976 178.930 175.900 0.092 0.000 1.124 571 Y CA 1.161 59.270 58.100 0.016 0.000 1.178 571 Y CB -0.138 38.303 38.460 -0.032 0.000 1.010 571 Y HN 0.145 nan 8.280 nan 0.000 0.536 572 Q N 0.445 120.388 119.800 0.239 0.000 2.156 572 Q HA -0.249 4.091 4.340 -0.000 0.000 0.211 572 Q C 1.657 177.787 176.000 0.217 0.000 0.995 572 Q CA 2.619 58.551 55.803 0.215 0.000 0.877 572 Q CB -0.475 28.379 28.738 0.194 0.000 0.920 572 Q HN 0.452 nan 8.270 nan 0.000 0.416 573 T N 2.042 116.732 114.554 0.227 0.000 2.643 573 T HA -0.097 4.253 4.350 -0.000 0.000 0.264 573 T C 2.079 176.881 174.700 0.170 0.000 1.045 573 T CA 1.503 63.753 62.100 0.250 0.000 1.155 573 T CB -0.411 68.655 68.868 0.330 0.000 0.863 573 T HN 0.288 nan 8.240 nan 0.000 0.420 574 L N 0.799 122.044 121.223 0.037 0.000 2.089 574 L HA -0.224 4.116 4.340 -0.000 0.000 0.213 574 L C 2.977 179.858 176.870 0.018 0.000 1.079 574 L CA 1.459 56.252 54.840 -0.080 0.000 0.758 574 L CB -0.714 41.205 42.059 -0.234 0.000 0.891 574 L HN 0.289 nan 8.230 nan 0.000 0.433 575 A N -0.299 122.585 122.820 0.107 0.000 1.897 575 A HA -0.178 4.142 4.320 -0.000 0.000 0.215 575 A C 1.602 179.370 177.584 0.307 0.000 1.181 575 A CA 1.280 53.453 52.037 0.227 0.000 0.620 575 A CB -0.530 18.657 19.000 0.312 0.000 0.821 575 A HN 0.413 nan 8.150 nan 0.000 0.443 576 N N 1.513 120.356 118.700 0.237 0.000 3.243 576 N HA 0.033 4.773 4.740 -0.000 0.000 0.310 576 N C -0.560 175.065 175.510 0.192 0.000 1.313 576 N CA -0.049 53.132 53.050 0.219 0.000 1.204 576 N CB -0.942 37.688 38.487 0.239 0.000 1.483 576 N HN 0.261 nan 8.380 nan 0.000 0.553 577 N N 1.133 119.945 118.700 0.187 0.000 2.698 577 N HA -0.220 4.519 4.740 -0.000 0.000 0.258 577 N C 0.842 176.440 175.510 0.147 0.000 0.978 577 N CA 1.343 54.483 53.050 0.150 0.000 0.777 577 N CB -1.335 37.233 38.487 0.135 0.000 0.907 577 N HN 0.711 nan 8.380 nan 0.000 0.543 578 G N -2.699 106.200 108.800 0.165 0.000 2.162 578 G HA2 -0.316 3.643 3.960 -0.000 0.000 0.260 578 G HA3 -0.316 3.643 3.960 -0.000 0.000 0.260 578 G C 0.007 175.044 174.900 0.229 0.000 0.976 578 G CA 0.332 45.578 45.100 0.243 0.000 0.655 578 G HN 0.478 nan 8.290 nan 0.000 0.533 579 V N 1.305 121.329 119.914 0.183 0.000 2.313 579 V HA 0.451 4.571 4.120 -0.000 0.000 0.278 579 V C 0.161 176.333 176.094 0.130 0.000 1.017 579 V CA -1.132 61.237 62.300 0.115 0.000 0.823 579 V CB 0.979 32.830 31.823 0.047 0.000 1.010 579 V HN 0.380 nan 8.190 nan 0.000 0.443 580 Y N 6.117 126.423 120.300 0.009 0.000 2.544 580 Y HA 0.231 4.781 4.550 -0.000 0.000 0.330 580 Y C 0.406 176.259 175.900 -0.078 0.000 1.136 580 Y CA 0.114 58.233 58.100 0.032 0.000 1.417 580 Y CB 0.082 38.571 38.460 0.048 0.000 1.229 580 Y HN 0.597 nan 8.280 nan 0.000 0.532 581 H N 6.000 124.873 119.070 -0.328 0.000 2.469 581 H HA 0.161 4.716 4.556 -0.000 0.000 0.342 581 H C -0.747 174.120 175.328 -0.768 0.000 1.115 581 H CA -0.840 54.965 56.048 -0.406 0.000 1.204 581 H CB 1.740 31.464 29.762 -0.064 0.000 1.492 581 H HN 0.679 nan 8.280 nan 0.000 0.499 582 Q N 3.255 122.765 119.800 -0.484 0.000 2.296 582 Q HA 0.085 4.425 4.340 -0.000 0.000 0.262 582 Q C -0.368 175.719 176.000 0.145 0.000 0.981 582 Q CA -0.688 54.926 55.803 -0.314 0.000 0.905 582 Q CB 0.595 29.355 28.738 0.037 0.000 1.186 582 Q HN 0.575 nan 8.270 nan 0.000 0.399 583 K N 3.881 124.363 120.400 0.137 0.000 2.559 583 K HA -0.042 4.278 4.320 -0.000 0.000 0.279 583 K C -0.544 176.220 176.600 0.273 0.000 0.967 583 K CA 0.491 56.867 56.287 0.149 0.000 1.000 583 K CB 0.296 32.862 32.500 0.111 0.000 0.890 583 K HN 0.769 nan 8.250 nan 0.000 0.501 584 H N -1.578 117.486 119.070 -0.010 0.000 2.969 584 H HA 0.207 4.763 4.556 -0.000 0.000 0.304 584 H C -1.133 174.193 175.328 -0.004 0.000 1.400 584 H CA -1.014 55.029 56.048 -0.007 0.000 1.182 584 H CB 0.693 30.398 29.762 -0.094 0.000 1.865 584 H HN 0.326 nan 8.280 nan 0.000 0.512 585 V N 0.742 120.730 119.914 0.123 0.000 3.539 585 V HA 0.203 4.323 4.120 -0.000 0.000 0.262 585 V C 0.323 176.452 176.094 0.058 0.000 1.381 585 V CA 0.296 62.622 62.300 0.043 0.000 1.060 585 V CB 0.475 32.304 31.823 0.010 0.000 0.842 585 V HN 0.518 nan 8.190 nan 0.000 0.445 586 I N 0.886 121.534 120.570 0.131 0.000 2.406 586 I HA 0.314 4.484 4.170 -0.000 0.000 0.290 586 I C 1.233 177.524 176.117 0.289 0.000 0.999 586 I CA 0.329 61.720 61.300 0.153 0.000 1.124 586 I CB 1.776 39.835 38.000 0.100 0.000 1.289 586 I HN 0.225 nan 8.210 nan 0.000 0.441 587 S N 5.145 120.973 115.700 0.213 0.000 2.506 587 S HA 0.150 4.620 4.470 -0.000 0.000 0.230 587 S C 0.606 175.278 174.600 0.120 0.000 1.066 587 S CA 0.102 58.407 58.200 0.176 0.000 0.940 587 S CB 0.517 63.785 63.200 0.114 0.000 0.818 587 S HN 0.619 nan 8.310 nan 0.000 0.518 588 K N 0.354 120.825 120.400 0.117 0.000 2.501 588 K HA 0.630 4.950 4.320 -0.000 0.000 0.252 588 K C -1.964 174.693 176.600 0.095 0.000 0.934 588 K CA -0.610 55.712 56.287 0.058 0.000 0.797 588 K CB 1.709 34.220 32.500 0.019 0.000 1.270 588 K HN 0.303 nan 8.250 nan 0.000 0.431 589 I N 2.834 123.459 120.570 0.092 0.000 2.406 589 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 589 I C -0.643 175.503 176.117 0.048 0.000 0.999 589 I CA -0.700 60.633 61.300 0.055 0.000 1.124 589 I CB 2.008 40.001 38.000 -0.012 0.000 1.289 589 I HN 0.560 nan 8.210 nan 0.000 0.441 590 E N 4.136 124.407 120.200 0.120 0.000 2.275 590 E HA 0.623 4.973 4.350 -0.000 0.000 0.270 590 E C -1.024 175.704 176.600 0.214 0.000 0.882 590 E CA -0.761 55.706 56.400 0.112 0.000 0.758 590 E CB 2.768 32.504 29.700 0.061 0.000 1.195 590 E HN 0.728 nan 8.360 nan 0.000 0.419 591 A N 1.913 124.821 122.820 0.147 0.000 2.304 591 A HA 0.586 4.906 4.320 -0.000 0.000 0.271 591 A C 1.274 178.776 177.584 -0.135 0.000 1.091 591 A CA 0.513 52.524 52.037 -0.042 0.000 0.812 591 A CB 0.701 19.692 19.000 -0.015 0.000 1.056 591 A HN 0.843 nan 8.150 nan 0.000 0.489 592 A N 1.323 123.977 122.820 -0.277 0.000 1.900 592 A HA -0.298 4.022 4.320 -0.000 0.000 0.225 592 A C 1.400 178.934 177.584 -0.083 0.000 1.414 592 A CA 2.380 54.319 52.037 -0.164 0.000 0.702 592 A CB -1.062 17.830 19.000 -0.179 0.000 0.845 592 A HN 0.958 nan 8.150 nan 0.000 0.478 593 D N -1.475 118.883 120.400 -0.069 0.000 2.400 593 D HA 0.282 4.922 4.640 -0.000 0.000 0.243 593 D C 1.120 177.406 176.300 -0.022 0.000 1.184 593 D CA 0.937 54.915 54.000 -0.037 0.000 0.853 593 D CB -0.729 40.054 40.800 -0.028 0.000 0.944 593 D HN 1.076 nan 8.370 nan 0.000 0.501 594 G N 1.399 110.186 108.800 -0.021 0.000 2.189 594 G HA2 -0.360 3.600 3.960 -0.000 0.000 0.267 594 G HA3 -0.360 3.600 3.960 -0.000 0.000 0.267 594 G C 0.446 175.346 174.900 -0.001 0.000 0.975 594 G CA 0.114 45.210 45.100 -0.008 0.000 0.644 594 G HN 0.528 nan 8.290 nan 0.000 0.537 595 R N 0.450 120.950 120.500 0.001 0.000 2.491 595 R HA 0.397 4.736 4.340 -0.000 0.000 0.283 595 R C -0.054 176.249 176.300 0.006 0.000 1.072 595 R CA -0.291 55.812 56.100 0.006 0.000 1.048 595 R CB 0.747 31.057 30.300 0.015 0.000 0.983 595 R HN 0.080 nan 8.270 nan 0.000 0.450 596 V N 6.632 126.538 119.914 -0.013 0.000 2.370 596 V HA -0.016 4.104 4.120 -0.000 0.000 0.257 596 V C 1.350 177.390 176.094 -0.089 0.000 1.064 596 V CA 0.097 62.374 62.300 -0.037 0.000 0.975 596 V CB 1.193 32.988 31.823 -0.046 0.000 1.067 596 V HN 0.734 nan 8.190 nan 0.000 0.485 597 V N 6.112 125.942 119.914 -0.140 0.000 2.453 597 V HA -0.062 4.058 4.120 -0.000 0.000 0.247 597 V C 0.369 176.306 176.094 -0.262 0.000 1.048 597 V CA 1.478 63.536 62.300 -0.403 0.000 1.049 597 V CB -0.179 31.366 31.823 -0.464 0.000 0.672 597 V HN 0.799 nan 8.190 nan 0.000 0.457 598 Y N -0.360 119.820 120.300 -0.200 0.000 2.470 598 Y HA 0.608 5.157 4.550 -0.000 0.000 0.341 598 Y C -0.642 175.229 175.900 -0.048 0.000 1.021 598 Y CA -0.924 57.116 58.100 -0.100 0.000 1.025 598 Y CB 1.545 39.958 38.460 -0.079 0.000 1.266 598 Y HN 0.147 nan 8.280 nan 0.000 0.448 599 E N 4.330 123.947 120.200 -0.972 0.000 2.356 599 E HA 0.200 4.550 4.350 -0.000 0.000 0.275 599 E C -2.071 173.971 176.600 -0.930 0.000 0.904 599 E CA -1.050 54.888 56.400 -0.770 0.000 0.757 599 E CB 1.571 31.076 29.700 -0.325 0.000 1.232 599 E HN 0.673 nan 8.360 nan 0.000 0.442 600 Y N 2.816 122.738 120.300 -0.631 0.000 2.496 600 Y HA 0.120 4.670 4.550 -0.000 0.000 0.334 600 Y C -0.244 175.487 175.900 -0.282 0.000 1.080 600 Y CA 0.160 58.011 58.100 -0.415 0.000 1.355 600 Y CB 0.699 38.978 38.460 -0.302 0.000 1.193 600 Y HN 0.481 nan 8.280 nan 0.000 0.523 601 Q N 4.796 124.147 119.800 -0.749 0.000 2.314 601 Q HA 0.109 4.449 4.340 -0.000 0.000 0.257 601 Q C -0.875 174.590 176.000 -0.893 0.000 0.975 601 Q CA -0.274 55.166 55.803 -0.606 0.000 0.933 601 Q CB 0.394 28.925 28.738 -0.344 0.000 1.195 601 Q HN 0.661 nan 8.270 nan 0.000 0.426 602 D N 3.418 123.545 120.400 -0.454 0.000 2.479 602 D HA -0.067 4.573 4.640 -0.000 0.000 0.253 602 D C -0.703 175.541 176.300 -0.093 0.000 1.278 602 D CA 0.288 54.190 54.000 -0.164 0.000 1.145 602 D CB 0.101 40.961 40.800 0.100 0.000 1.118 602 D HN 0.245 nan 8.370 nan 0.000 0.513 603 K N 5.071 125.392 120.400 -0.130 0.000 2.244 603 K HA 0.244 4.564 4.320 -0.000 0.000 0.263 603 K C -2.372 174.206 176.600 -0.037 0.000 1.103 603 K CA -1.644 54.609 56.287 -0.057 0.000 0.966 603 K CB 0.727 33.190 32.500 -0.062 0.000 1.429 603 K HN 0.272 nan 8.250 nan 0.000 0.434 604 P HA 0.113 nan 4.420 nan 0.000 0.274 604 P C -0.792 176.454 177.300 -0.089 0.000 1.237 604 P CA -0.457 62.497 63.100 -0.243 0.000 0.793 604 P CB 1.149 32.679 31.700 -0.285 0.000 0.977 605 V N 0.629 120.516 119.914 -0.045 0.000 2.971 605 V HA 0.307 4.426 4.120 -0.000 0.000 0.309 605 V C -0.344 175.771 176.094 0.034 0.000 1.130 605 V CA -0.703 61.618 62.300 0.036 0.000 0.964 605 V CB 1.847 33.747 31.823 0.128 0.000 1.029 605 V HN 0.490 nan 8.190 nan 0.000 0.427 606 Q N 1.767 121.572 119.800 0.008 0.000 2.509 606 Q HA 0.459 4.799 4.340 -0.000 0.000 0.230 606 Q C 0.014 176.007 176.000 -0.012 0.000 1.089 606 Q CA -0.155 55.661 55.803 0.023 0.000 0.901 606 Q CB 1.233 29.983 28.738 0.020 0.000 1.208 606 Q HN 0.620 nan 8.270 nan 0.000 0.529 607 V N 3.258 123.177 119.914 0.008 0.000 2.591 607 V HA 0.015 4.135 4.120 -0.000 0.000 0.249 607 V C -0.005 175.977 176.094 -0.186 0.000 1.053 607 V CA 1.037 63.253 62.300 -0.139 0.000 1.068 607 V CB -0.481 31.269 31.823 -0.121 0.000 0.689 607 V HN 0.593 nan 8.190 nan 0.000 0.462 608 Y N -0.427 119.947 120.300 0.124 0.000 2.536 608 Y HA 0.530 5.080 4.550 -0.000 0.000 0.347 608 Y C 0.594 176.554 175.900 0.101 0.000 1.000 608 Y CA -1.000 57.193 58.100 0.155 0.000 1.051 608 Y CB 1.479 40.019 38.460 0.133 0.000 1.259 608 Y HN -0.030 nan 8.280 nan 0.000 0.468 609 S N 1.428 117.290 115.700 0.269 0.000 2.564 609 S HA 0.133 4.603 4.470 -0.000 0.000 0.278 609 S C 0.691 175.383 174.600 0.153 0.000 1.333 609 S CA -0.777 57.524 58.200 0.169 0.000 1.048 609 S CB 0.971 64.258 63.200 0.145 0.000 0.900 609 S HN 0.774 nan 8.310 nan 0.000 0.505 610 K N 2.352 122.822 120.400 0.117 0.000 2.173 610 K HA -0.214 4.106 4.320 -0.000 0.000 0.207 610 K C 2.303 178.949 176.600 0.076 0.000 1.046 610 K CA 1.463 57.806 56.287 0.095 0.000 0.929 610 K CB -0.990 31.558 32.500 0.081 0.000 0.720 610 K HN 0.749 nan 8.250 nan 0.000 0.453 611 A N 1.787 124.656 122.820 0.083 0.000 1.849 611 A HA -0.217 4.102 4.320 -0.000 0.000 0.217 611 A C 2.452 180.073 177.584 0.061 0.000 1.202 611 A CA 2.461 54.543 52.037 0.074 0.000 0.629 611 A CB -1.345 17.714 19.000 0.098 0.000 0.834 611 A HN 0.310 nan 8.150 nan 0.000 0.447 612 T N 0.142 114.748 114.554 0.086 0.000 2.607 612 T HA -0.129 4.221 4.350 -0.000 0.000 0.267 612 T C 2.226 176.909 174.700 -0.027 0.000 1.049 612 T CA 2.365 64.496 62.100 0.052 0.000 1.162 612 T CB -0.720 68.228 68.868 0.133 0.000 0.863 612 T HN 0.690 nan 8.240 nan 0.000 0.424 613 A N 1.468 124.282 122.820 -0.011 0.000 1.903 613 A HA -0.219 4.101 4.320 -0.000 0.000 0.219 613 A C 2.585 180.129 177.584 -0.066 0.000 1.191 613 A CA 2.891 54.883 52.037 -0.075 0.000 0.638 613 A CB -1.418 17.592 19.000 0.016 0.000 0.823 613 A HN 0.695 nan 8.150 nan 0.000 0.451 614 T N -2.153 112.391 114.554 -0.017 0.000 2.951 614 T HA 0.068 4.417 4.350 -0.000 0.000 0.268 614 T C 1.811 176.465 174.700 -0.076 0.000 1.073 614 T CA 1.058 63.146 62.100 -0.019 0.000 1.134 614 T CB -0.417 68.457 68.868 0.009 0.000 0.884 614 T HN 0.360 nan 8.240 nan 0.000 0.479 615 I N 0.344 120.867 120.570 -0.079 0.000 2.179 615 I HA -0.104 4.065 4.170 -0.000 0.000 0.242 615 I C 2.615 178.687 176.117 -0.076 0.000 1.088 615 I CA 1.508 62.757 61.300 -0.086 0.000 1.357 615 I CB -0.420 37.560 38.000 -0.034 0.000 1.051 615 I HN 0.284 nan 8.210 nan 0.000 0.409 616 M N 1.195 120.735 119.600 -0.100 0.000 2.159 616 M HA -0.241 4.239 4.480 -0.000 0.000 0.263 616 M C 2.226 178.440 176.300 -0.143 0.000 1.063 616 M CA 1.856 57.082 55.300 -0.124 0.000 1.110 616 M CB -0.511 31.977 32.600 -0.186 0.000 1.374 616 M HN 0.240 nan 8.290 nan 0.000 0.411 617 Q N -1.517 118.167 119.800 -0.193 0.000 2.167 617 Q HA 0.027 4.367 4.340 -0.000 0.000 0.202 617 Q C 2.067 177.955 176.000 -0.188 0.000 0.970 617 Q CA 1.389 57.004 55.803 -0.313 0.000 0.855 617 Q CB -1.024 27.346 28.738 -0.614 0.000 0.911 617 Q HN 0.606 nan 8.270 nan 0.000 0.438 618 G N 1.994 110.733 108.800 -0.100 0.000 2.446 618 G HA2 -0.219 3.740 3.960 -0.000 0.000 0.217 618 G HA3 -0.219 3.740 3.960 -0.000 0.000 0.217 618 G C 1.442 176.341 174.900 -0.003 0.000 1.168 618 G CA 0.812 45.894 45.100 -0.030 0.000 0.771 618 G HN 0.230 nan 8.290 nan 0.000 0.551 619 L N -0.202 121.013 121.223 -0.013 0.000 2.201 619 L HA 0.143 4.482 4.340 -0.000 0.000 0.212 619 L C 2.581 179.450 176.870 -0.002 0.000 1.105 619 L CA 0.356 55.195 54.840 -0.002 0.000 0.775 619 L CB -0.138 41.906 42.059 -0.026 0.000 0.913 619 L HN 0.148 nan 8.230 nan 0.000 0.440 620 L N -0.693 120.515 121.223 -0.026 0.000 2.529 620 L HA 0.004 4.344 4.340 -0.000 0.000 0.223 620 L C 2.648 179.523 176.870 0.007 0.000 1.113 620 L CA 0.228 55.064 54.840 -0.006 0.000 0.861 620 L CB -0.223 41.827 42.059 -0.015 0.000 1.012 620 L HN 0.267 nan 8.230 nan 0.000 0.461 621 R N 0.701 121.203 120.500 0.003 0.000 2.090 621 R HA -0.114 4.226 4.340 -0.000 0.000 0.228 621 R C 1.442 177.782 176.300 0.066 0.000 1.110 621 R CA 1.085 57.218 56.100 0.056 0.000 0.973 621 R CB 0.121 30.464 30.300 0.072 0.000 0.869 621 R HN 0.322 nan 8.270 nan 0.000 0.440 622 E N 0.653 120.883 120.200 0.050 0.000 2.478 622 E HA -0.062 4.288 4.350 -0.000 0.000 0.198 622 E C 1.940 178.565 176.600 0.041 0.000 1.046 622 E CA 0.385 56.815 56.400 0.050 0.000 0.870 622 E CB 0.143 29.872 29.700 0.049 0.000 0.818 622 E HN 0.211 nan 8.360 nan 0.000 0.527 623 V N 1.339 121.277 119.914 0.039 0.000 2.379 623 V HA -0.207 3.913 4.120 -0.000 0.000 0.245 623 V C 2.319 178.428 176.094 0.024 0.000 1.044 623 V CA 1.272 63.590 62.300 0.030 0.000 1.036 623 V CB -0.394 31.450 31.823 0.035 0.000 0.664 623 V HN 0.218 nan 8.190 nan 0.000 0.453 624 L N -0.834 120.416 121.223 0.044 0.000 2.156 624 L HA -0.074 4.265 4.340 -0.000 0.000 0.208 624 L C 2.566 179.465 176.870 0.047 0.000 1.095 624 L CA 1.133 56.008 54.840 0.057 0.000 0.770 624 L CB -0.665 41.461 42.059 0.112 0.000 0.914 624 L HN 0.218 nan 8.230 nan 0.000 0.439 625 S N -0.188 115.542 115.700 0.049 0.000 2.345 625 S HA -0.191 4.279 4.470 -0.000 0.000 0.220 625 S C 2.262 176.873 174.600 0.019 0.000 1.031 625 S CA 1.547 59.770 58.200 0.037 0.000 0.996 625 S CB -0.228 63.001 63.200 0.049 0.000 0.882 625 S HN 0.575 nan 8.310 nan 0.000 0.445 626 S N 1.281 116.992 115.700 0.018 0.000 2.407 626 S HA -0.224 4.246 4.470 -0.000 0.000 0.235 626 S C 1.011 175.600 174.600 -0.019 0.000 1.036 626 S CA 1.731 59.933 58.200 0.002 0.000 1.013 626 S CB -0.487 62.711 63.200 -0.002 0.000 0.820 626 S HN 0.519 nan 8.310 nan 0.000 0.476 627 R N -1.380 119.112 120.500 -0.013 0.000 4.000 627 R HA -0.154 4.186 4.340 -0.000 0.000 0.348 627 R C 1.003 177.308 176.300 0.007 0.000 1.204 627 R CA 0.722 56.818 56.100 -0.006 0.000 0.987 627 R CB -2.491 27.803 30.300 -0.009 0.000 1.446 627 R HN 0.456 nan 8.270 nan 0.000 0.555 628 V N -0.118 119.747 119.914 -0.082 0.000 2.307 628 V HA -0.196 3.924 4.120 -0.000 0.000 0.245 628 V C 2.213 178.258 176.094 -0.082 0.000 1.045 628 V CA 2.472 64.653 62.300 -0.198 0.000 1.024 628 V CB -0.247 31.221 31.823 -0.591 0.000 0.651 628 V HN 0.656 nan 8.190 nan 0.000 0.449 629 T N -4.163 110.372 114.554 -0.032 0.000 3.085 629 T HA 0.207 4.557 4.350 -0.000 0.000 0.264 629 T C 0.400 175.214 174.700 0.191 0.000 1.019 629 T CA 0.441 62.589 62.100 0.079 0.000 0.910 629 T CB 0.342 69.209 68.868 -0.000 0.000 1.059 629 T HN 0.387 nan 8.240 nan 0.000 0.542 630 T N 0.871 115.481 114.554 0.095 0.000 3.032 630 T HA 0.393 4.743 4.350 -0.000 0.000 0.312 630 T C 0.906 175.488 174.700 -0.196 0.000 1.078 630 T CA 0.132 62.190 62.100 -0.069 0.000 1.028 630 T CB 1.719 70.551 68.868 -0.060 0.000 1.091 630 T HN 0.178 nan 8.240 nan 0.000 0.457 631 T N 2.649 116.916 114.554 -0.478 0.000 3.163 631 T HA 0.042 4.391 4.350 -0.000 0.000 0.260 631 T C 1.589 176.184 174.700 -0.175 0.000 1.156 631 T CA 0.474 62.360 62.100 -0.357 0.000 1.072 631 T CB -0.791 67.792 68.868 -0.475 0.000 0.937 631 T HN 0.626 nan 8.240 nan 0.000 0.528 632 F N 2.484 122.265 119.950 -0.282 0.000 2.027 632 F HA -0.198 4.329 4.527 -0.000 0.000 0.297 632 F C 2.411 178.037 175.800 -0.291 0.000 1.129 632 F CA 1.559 59.387 58.000 -0.287 0.000 1.195 632 F CB -0.132 38.687 39.000 -0.301 0.000 0.960 632 F HN -0.004 nan 8.300 nan 0.000 0.485 633 K N 0.581 120.815 120.400 -0.277 0.000 2.074 633 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 633 K C 2.167 178.525 176.600 -0.403 0.000 1.048 633 K CA 1.672 57.698 56.287 -0.435 0.000 0.926 633 K CB -0.767 31.635 32.500 -0.163 0.000 0.713 633 K HN 0.351 nan 8.250 nan 0.000 0.444 634 S N 1.600 117.138 115.700 -0.272 0.000 2.359 634 S HA -0.128 4.342 4.470 -0.000 0.000 0.224 634 S C 1.668 176.100 174.600 -0.280 0.000 1.035 634 S CA 1.239 59.305 58.200 -0.224 0.000 1.018 634 S CB -0.330 62.774 63.200 -0.160 0.000 0.876 634 S HN 0.330 nan 8.310 nan 0.000 0.448 635 N N 1.417 119.918 118.700 -0.332 0.000 2.069 635 N HA -0.067 4.673 4.740 -0.000 0.000 0.191 635 N C 1.722 176.977 175.510 -0.424 0.000 1.031 635 N CA 0.965 53.821 53.050 -0.322 0.000 0.852 635 N CB -0.588 37.717 38.487 -0.304 0.000 1.018 635 N HN 0.254 nan 8.380 nan 0.000 0.423 636 L N 1.353 122.182 121.223 -0.657 0.000 2.109 636 L HA -0.017 4.323 4.340 -0.000 0.000 0.207 636 L C 2.092 178.701 176.870 -0.435 0.000 1.086 636 L CA 1.566 55.995 54.840 -0.684 0.000 0.760 636 L CB -1.046 40.367 42.059 -1.077 0.000 0.910 636 L HN 0.043 nan 8.230 nan 0.000 0.437 637 T N -1.096 113.235 114.554 -0.372 0.000 2.684 637 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 637 T C 2.026 176.608 174.700 -0.196 0.000 1.036 637 T CA 1.813 63.773 62.100 -0.233 0.000 1.148 637 T CB -0.302 68.453 68.868 -0.189 0.000 0.863 637 T HN 0.361 nan 8.240 nan 0.000 0.436 638 S N 0.541 116.116 115.700 -0.208 0.000 2.423 638 S HA 0.100 4.570 4.470 -0.000 0.000 0.231 638 S C 1.694 176.186 174.600 -0.180 0.000 1.014 638 S CA 0.717 58.817 58.200 -0.167 0.000 0.965 638 S CB -0.178 62.928 63.200 -0.155 0.000 0.785 638 S HN 0.357 nan 8.310 nan 0.000 0.495 639 L N 0.581 121.660 121.223 -0.241 0.000 2.585 639 L HA 0.337 4.677 4.340 -0.000 0.000 0.226 639 L C 0.548 177.304 176.870 -0.190 0.000 1.113 639 L CA 0.101 54.791 54.840 -0.251 0.000 0.876 639 L CB 0.003 41.822 42.059 -0.400 0.000 1.072 639 L HN 0.252 nan 8.230 nan 0.000 0.468 640 N N -0.431 118.166 118.700 -0.170 0.000 3.987 640 N HA 0.010 4.750 4.740 -0.000 0.000 0.170 640 N C -2.477 172.970 175.510 -0.104 0.000 1.436 640 N CA -0.422 52.556 53.050 -0.118 0.000 0.843 640 N CB 1.126 39.550 38.487 -0.104 0.000 1.734 640 N HN -0.285 nan 8.380 nan 0.000 0.746 641 P HA -0.101 nan 4.420 nan 0.000 0.218 641 P C 1.116 178.392 177.300 -0.041 0.000 1.149 641 P CA 1.215 64.274 63.100 -0.069 0.000 0.817 641 P CB 0.306 31.973 31.700 -0.056 0.000 0.785 642 T N 1.108 115.645 114.554 -0.028 0.000 2.668 642 T HA -0.123 4.227 4.350 -0.000 0.000 0.262 642 T C 1.839 176.542 174.700 0.005 0.000 1.045 642 T CA 0.991 63.085 62.100 -0.010 0.000 1.152 642 T CB -1.049 67.817 68.868 -0.004 0.000 0.864 642 T HN 0.001 nan 8.240 nan 0.000 0.419 643 L N 1.633 122.862 121.223 0.010 0.000 2.129 643 L HA 0.005 4.345 4.340 -0.000 0.000 0.212 643 L C 2.422 179.368 176.870 0.125 0.000 1.087 643 L CA 1.675 56.541 54.840 0.043 0.000 0.757 643 L CB -0.902 41.175 42.059 0.030 0.000 0.896 643 L HN 0.265 nan 8.230 nan 0.000 0.434 644 A N -1.268 121.573 122.820 0.035 0.000 2.209 644 A HA -0.093 4.227 4.320 -0.000 0.000 0.212 644 A C 1.772 179.435 177.584 0.132 0.000 1.158 644 A CA 1.112 53.158 52.037 0.016 0.000 0.742 644 A CB -0.699 18.210 19.000 -0.151 0.000 0.790 644 A HN 0.553 nan 8.150 nan 0.000 0.472 645 N N 0.215 118.970 118.700 0.091 0.000 2.467 645 N HA 0.200 4.940 4.740 -0.000 0.000 0.184 645 N C 0.626 176.160 175.510 0.039 0.000 1.106 645 N CA 0.704 53.793 53.050 0.065 0.000 0.892 645 N CB -0.198 38.301 38.487 0.019 0.000 0.969 645 N HN 0.476 nan 8.380 nan 0.000 0.454 646 A N 0.217 123.030 122.820 -0.013 0.000 2.366 646 A HA 0.081 4.401 4.320 -0.000 0.000 0.249 646 A C 0.250 177.685 177.584 -0.249 0.000 1.084 646 A CA -0.287 51.603 52.037 -0.244 0.000 0.794 646 A CB 0.100 18.782 19.000 -0.531 0.000 1.034 646 A HN 0.126 nan 8.150 nan 0.000 0.491 647 D N 1.176 121.449 120.400 -0.212 0.000 2.671 647 D HA 0.145 4.784 4.640 -0.000 0.000 0.228 647 D C -0.644 175.734 176.300 0.131 0.000 1.102 647 D CA -0.114 53.889 54.000 0.005 0.000 1.044 647 D CB -0.628 40.189 40.800 0.029 0.000 1.113 647 D HN 0.367 nan 8.370 nan 0.000 0.480 648 W N 2.876 124.270 121.300 0.156 0.000 2.223 648 W HA 0.183 4.843 4.660 -0.000 0.000 0.334 648 W C 0.939 177.544 176.519 0.144 0.000 1.334 648 W CA -0.589 56.854 57.345 0.164 0.000 1.246 648 W CB 0.299 29.838 29.460 0.133 0.000 1.184 648 W HN 0.174 nan 8.180 nan 0.000 0.563 649 I N 1.222 122.011 120.570 0.365 0.000 2.934 649 I HA 1.063 5.233 4.170 -0.000 0.000 0.306 649 I C 0.106 176.290 176.117 0.111 0.000 1.110 649 I CA -1.060 60.322 61.300 0.137 0.000 1.019 649 I CB 2.339 40.271 38.000 -0.113 0.000 1.227 649 I HN 0.530 nan 8.210 nan 0.000 0.434 650 G N 2.353 111.178 108.800 0.041 0.000 2.441 650 G HA2 0.556 4.516 3.960 -0.000 0.000 0.294 650 G HA3 0.556 4.516 3.960 -0.000 0.000 0.294 650 G C -2.217 172.663 174.900 -0.033 0.000 1.393 650 G CA -0.750 44.326 45.100 -0.040 0.000 0.796 650 G HN 0.832 nan 8.290 nan 0.000 0.494 651 K N -0.752 119.581 120.400 -0.112 0.000 2.556 651 K HA 0.788 5.108 4.320 -0.000 0.000 0.274 651 K C -0.255 176.311 176.600 -0.056 0.000 0.966 651 K CA -0.173 56.096 56.287 -0.030 0.000 0.865 651 K CB 1.823 34.374 32.500 0.086 0.000 1.444 651 K HN 1.007 nan 8.250 nan 0.000 0.433 652 T N -1.116 113.444 114.554 0.009 0.000 2.940 652 T HA 0.899 5.249 4.350 -0.000 0.000 0.288 652 T C -0.036 174.713 174.700 0.080 0.000 1.045 652 T CA -0.857 61.264 62.100 0.036 0.000 1.018 652 T CB 1.810 70.693 68.868 0.025 0.000 1.151 652 T HN 0.623 nan 8.240 nan 0.000 0.529 653 G N -0.207 108.674 108.800 0.135 0.000 2.706 653 G HA2 0.594 4.554 3.960 -0.000 0.000 0.297 653 G HA3 0.594 4.554 3.960 -0.000 0.000 0.297 653 G C -1.302 173.680 174.900 0.137 0.000 1.403 653 G CA -0.723 44.456 45.100 0.132 0.000 0.954 653 G HN 0.812 nan 8.290 nan 0.000 0.500 654 T N 0.930 115.526 114.554 0.070 0.000 2.886 654 T HA 0.699 5.049 4.350 -0.000 0.000 0.292 654 T C 0.315 175.041 174.700 0.043 0.000 1.012 654 T CA -0.465 61.660 62.100 0.042 0.000 0.982 654 T CB 1.690 70.538 68.868 -0.034 0.000 1.018 654 T HN 0.889 nan 8.240 nan 0.000 0.451 655 T N 0.553 115.144 114.554 0.062 0.000 2.927 655 T HA 0.459 4.809 4.350 -0.000 0.000 0.281 655 T C 0.318 175.030 174.700 0.019 0.000 0.998 655 T CA -0.944 61.190 62.100 0.057 0.000 1.019 655 T CB 0.468 69.398 68.868 0.102 0.000 1.061 655 T HN 0.572 nan 8.240 nan 0.000 0.518 656 N N 1.998 120.708 118.700 0.017 0.000 2.151 656 N HA -0.120 4.620 4.740 -0.000 0.000 0.265 656 N C 0.042 175.557 175.510 0.008 0.000 1.254 656 N CA 0.262 53.316 53.050 0.007 0.000 0.823 656 N CB 0.152 38.647 38.487 0.012 0.000 1.061 656 N HN 0.621 nan 8.380 nan 0.000 0.472 657 Q N 1.634 121.432 119.800 -0.003 0.000 2.475 657 Q HA -0.249 4.091 4.340 -0.000 0.000 0.280 657 Q C -0.687 175.310 176.000 -0.004 0.000 1.234 657 Q CA 0.927 56.730 55.803 0.001 0.000 0.873 657 Q CB -1.902 26.848 28.738 0.020 0.000 1.256 657 Q HN 0.828 nan 8.270 nan 0.000 0.475 658 D N -0.738 119.648 120.400 -0.022 0.000 2.751 658 D HA -0.203 4.437 4.640 -0.000 0.000 0.233 658 D C 0.695 176.965 176.300 -0.049 0.000 1.149 658 D CA 1.438 55.413 54.000 -0.042 0.000 0.682 658 D CB -0.676 40.095 40.800 -0.048 0.000 1.068 658 D HN 0.718 nan 8.370 nan 0.000 0.429 659 E N -0.613 119.576 120.200 -0.018 0.000 2.318 659 E HA 0.034 4.384 4.350 -0.000 0.000 0.193 659 E C 0.584 177.151 176.600 -0.056 0.000 0.998 659 E CA 0.418 56.809 56.400 -0.015 0.000 0.859 659 E CB 0.339 30.067 29.700 0.047 0.000 0.812 659 E HN 0.415 nan 8.360 nan 0.000 0.492 660 N N 0.392 119.068 118.700 -0.040 0.000 2.329 660 N HA 0.345 5.085 4.740 -0.000 0.000 0.282 660 N C -0.893 174.514 175.510 -0.171 0.000 1.198 660 N CA -0.486 52.483 53.050 -0.136 0.000 0.790 660 N CB 1.924 40.530 38.487 0.198 0.000 1.579 660 N HN -0.140 nan 8.380 nan 0.000 0.475 661 M N 0.637 119.993 119.600 -0.407 0.000 2.530 661 M HA 0.459 4.939 4.480 -0.000 0.000 0.307 661 M C -1.442 174.716 176.300 -0.236 0.000 1.161 661 M CA -0.235 54.941 55.300 -0.206 0.000 0.903 661 M CB 1.866 34.324 32.600 -0.237 0.000 1.711 661 M HN 0.546 nan 8.290 nan 0.000 0.451 662 W N 2.301 123.571 121.300 -0.051 0.000 2.844 662 W HA 0.719 5.379 4.660 -0.000 0.000 0.340 662 W C -1.271 175.213 176.519 -0.058 0.000 1.093 662 W CA -0.550 56.797 57.345 0.003 0.000 1.212 662 W CB 1.530 31.043 29.460 0.088 0.000 1.422 662 W HN 0.447 nan 8.180 nan 0.000 0.515 663 L N 4.493 125.812 121.223 0.160 0.000 2.439 663 L HA 0.597 4.937 4.340 -0.000 0.000 0.270 663 L C -1.252 175.569 176.870 -0.082 0.000 0.972 663 L CA -0.965 53.858 54.840 -0.027 0.000 0.836 663 L CB 1.127 43.096 42.059 -0.149 0.000 1.255 663 L HN 0.243 nan 8.230 nan 0.000 0.404 664 M N 6.339 125.805 119.600 -0.223 0.000 2.364 664 M HA 0.563 5.043 4.480 -0.000 0.000 0.334 664 M C -0.995 175.138 176.300 -0.278 0.000 1.107 664 M CA -0.360 54.737 55.300 -0.337 0.000 0.988 664 M CB 1.556 33.592 32.600 -0.939 0.000 1.673 664 M HN 0.462 nan 8.290 nan 0.000 0.441 665 L N 1.755 122.910 121.223 -0.114 0.000 2.381 665 L HA 0.749 5.088 4.340 -0.000 0.000 0.268 665 L C -0.373 176.642 176.870 0.241 0.000 0.997 665 L CA -0.493 54.363 54.840 0.027 0.000 0.818 665 L CB 2.443 44.488 42.059 -0.023 0.000 1.310 665 L HN 0.746 nan 8.230 nan 0.000 0.416 666 S N -0.545 115.354 115.700 0.332 0.000 2.549 666 S HA 0.705 5.175 4.470 -0.000 0.000 0.280 666 S C -0.346 174.509 174.600 0.426 0.000 1.109 666 S CA -0.858 57.587 58.200 0.408 0.000 0.905 666 S CB 2.042 65.466 63.200 0.372 0.000 1.081 666 S HN 0.721 nan 8.310 nan 0.000 0.477 667 T N -1.663 113.035 114.554 0.241 0.000 2.884 667 T HA 0.563 4.913 4.350 -0.000 0.000 0.277 667 T C -2.396 172.342 174.700 0.063 0.000 0.976 667 T CA -2.136 59.971 62.100 0.012 0.000 0.956 667 T CB 0.508 69.137 68.868 -0.398 0.000 1.113 667 T HN 0.263 nan 8.240 nan 0.000 0.554 668 P HA 0.159 nan 4.420 nan 0.000 0.230 668 P C 1.194 178.414 177.300 -0.133 0.000 1.158 668 P CA 0.556 63.234 63.100 -0.704 0.000 0.769 668 P CB 0.143 31.223 31.700 -1.033 0.000 0.807 669 R N -1.475 118.981 120.500 -0.072 0.000 2.279 669 R HA 0.298 4.638 4.340 -0.000 0.000 0.195 669 R C 0.454 176.761 176.300 0.012 0.000 0.905 669 R CA 0.242 56.323 56.100 -0.032 0.000 1.044 669 R CB 0.333 30.601 30.300 -0.054 0.000 1.056 669 R HN 0.215 nan 8.270 nan 0.000 0.535 670 L N 0.107 121.381 121.223 0.084 0.000 2.371 670 L HA 0.425 4.765 4.340 -0.000 0.000 0.262 670 L C -0.665 176.342 176.870 0.229 0.000 1.006 670 L CA -0.747 54.142 54.840 0.080 0.000 0.818 670 L CB 2.549 44.554 42.059 -0.090 0.000 1.354 670 L HN -0.134 nan 8.230 nan 0.000 0.415 671 T N 2.572 117.239 114.554 0.188 0.000 2.823 671 T HA 0.542 4.892 4.350 -0.000 0.000 0.279 671 T C -0.932 173.911 174.700 0.238 0.000 0.998 671 T CA -0.380 61.871 62.100 0.252 0.000 0.994 671 T CB 1.958 70.959 68.868 0.222 0.000 0.960 671 T HN 0.182 nan 8.240 nan 0.000 0.448 672 L N 3.336 124.734 121.223 0.293 0.000 2.316 672 L HA 0.726 5.066 4.340 -0.000 0.000 0.280 672 L C 0.189 177.139 176.870 0.133 0.000 1.006 672 L CA -0.137 54.848 54.840 0.242 0.000 0.836 672 L CB 0.685 42.963 42.059 0.364 0.000 1.221 672 L HN 0.779 nan 8.230 nan 0.000 0.418 673 G N 2.441 111.318 108.800 0.128 0.000 2.410 673 G HA2 0.699 4.658 3.960 -0.000 0.000 0.330 673 G HA3 0.699 4.658 3.960 -0.000 0.000 0.330 673 G C -0.718 174.268 174.900 0.143 0.000 1.142 673 G CA -0.330 44.854 45.100 0.139 0.000 0.902 673 G HN 0.938 nan 8.290 nan 0.000 0.491 674 G N -0.690 108.198 108.800 0.147 0.000 2.760 674 G HA2 0.488 4.448 3.960 -0.000 0.000 0.296 674 G HA3 0.488 4.448 3.960 -0.000 0.000 0.296 674 G C -1.969 172.908 174.900 -0.037 0.000 1.427 674 G CA -0.704 44.441 45.100 0.075 0.000 1.109 674 G HN 0.865 nan 8.290 nan 0.000 0.553 675 W N 4.985 126.042 121.300 -0.406 0.000 2.839 675 W HA 0.755 5.415 4.660 -0.000 0.000 0.334 675 W C -0.888 175.322 176.519 -0.515 0.000 1.064 675 W CA -1.237 55.608 57.345 -0.833 0.000 1.236 675 W CB 1.335 30.016 29.460 -1.298 0.000 1.405 675 W HN 0.666 nan 8.180 nan 0.000 0.478 676 I N 3.992 123.673 120.570 -1.482 0.000 3.002 676 I HA 1.093 5.263 4.170 -0.000 0.000 0.310 676 I C 0.082 174.901 176.117 -2.164 0.000 1.087 676 I CA -0.939 59.365 61.300 -1.661 0.000 1.017 676 I CB 2.217 39.688 38.000 -0.882 0.000 1.226 676 I HN 0.806 nan 8.210 nan 0.000 0.443 677 G N 1.184 108.926 108.800 -1.764 0.000 2.322 677 G HA2 0.381 4.341 3.960 -0.000 0.000 0.295 677 G HA3 0.381 4.341 3.960 -0.000 0.000 0.295 677 G C -2.183 172.324 174.900 -0.654 0.000 1.369 677 G CA -0.907 43.526 45.100 -1.112 0.000 0.821 677 G HN 0.874 nan 8.290 nan 0.000 0.536 678 H N -0.515 118.465 119.070 -0.149 0.000 2.529 678 H HA 0.417 4.973 4.556 -0.000 0.000 0.348 678 H C 0.265 175.683 175.328 0.150 0.000 1.152 678 H CA -0.719 55.280 56.048 -0.082 0.000 1.202 678 H CB 2.322 31.849 29.762 -0.392 0.000 1.562 678 H HN 0.367 nan 8.280 nan 0.000 0.515 679 D N 0.499 121.105 120.400 0.342 0.000 2.219 679 D HA -0.139 4.501 4.640 -0.000 0.000 0.205 679 D C 1.047 177.474 176.300 0.212 0.000 0.970 679 D CA 1.196 55.376 54.000 0.300 0.000 0.851 679 D CB 0.069 41.036 40.800 0.280 0.000 0.943 679 D HN 0.674 nan 8.370 nan 0.000 0.488 680 D N -1.326 119.207 120.400 0.222 0.000 2.388 680 D HA 0.020 4.660 4.640 -0.000 0.000 0.221 680 D C 0.002 176.416 176.300 0.189 0.000 1.133 680 D CA -0.253 53.853 54.000 0.177 0.000 0.831 680 D CB -0.428 40.466 40.800 0.158 0.000 0.962 680 D HN -0.034 nan 8.370 nan 0.000 0.502 681 N N -0.702 118.117 118.700 0.198 0.000 2.936 681 N HA -0.243 4.497 4.740 -0.000 0.000 0.236 681 N C 0.048 175.666 175.510 0.179 0.000 0.930 681 N CA 1.351 54.502 53.050 0.168 0.000 0.966 681 N CB -1.711 36.852 38.487 0.126 0.000 1.090 681 N HN 0.790 nan 8.380 nan 0.000 0.592 682 H N -1.790 117.349 119.070 0.116 0.000 2.309 682 H HA 0.660 5.216 4.556 -0.000 0.000 0.341 682 H C 0.034 175.461 175.328 0.166 0.000 1.677 682 H CA 0.058 56.164 56.048 0.096 0.000 1.440 682 H CB 0.513 30.286 29.762 0.017 0.000 1.693 682 H HN -0.058 nan 8.280 nan 0.000 0.608 683 S N 0.087 115.917 115.700 0.216 0.000 2.541 683 S HA 0.333 4.803 4.470 -0.000 0.000 0.283 683 S C -0.137 174.504 174.600 0.068 0.000 1.196 683 S CA -0.847 57.412 58.200 0.099 0.000 1.062 683 S CB 0.466 63.727 63.200 0.101 0.000 1.009 683 S HN 0.420 nan 8.310 nan 0.000 0.502 684 L N 1.789 122.979 121.223 -0.056 0.000 2.469 684 L HA 0.462 4.802 4.340 -0.000 0.000 0.253 684 L C 1.054 177.899 176.870 -0.041 0.000 1.143 684 L CA -0.799 53.984 54.840 -0.094 0.000 0.804 684 L CB 0.363 42.285 42.059 -0.230 0.000 1.214 684 L HN 0.708 nan 8.230 nan 0.000 0.476 685 S N -0.612 115.061 115.700 -0.045 0.000 2.580 685 S HA 0.026 4.496 4.470 -0.000 0.000 0.266 685 S C 0.636 175.211 174.600 -0.041 0.000 1.354 685 S CA -0.391 57.792 58.200 -0.029 0.000 1.008 685 S CB 0.637 63.819 63.200 -0.029 0.000 0.898 685 S HN 0.654 nan 8.310 nan 0.000 0.555 686 Q N 0.022 119.801 119.800 -0.035 0.000 2.170 686 Q HA -0.119 4.221 4.340 -0.000 0.000 0.203 686 Q C 1.828 177.805 176.000 -0.038 0.000 0.976 686 Q CA 1.098 56.872 55.803 -0.048 0.000 0.858 686 Q CB -0.245 28.459 28.738 -0.056 0.000 0.907 686 Q HN 0.585 nan 8.270 nan 0.000 0.433 687 Q N 0.128 119.920 119.800 -0.014 0.000 2.437 687 Q HA 0.012 4.352 4.340 -0.000 0.000 0.210 687 Q C 1.794 177.810 176.000 0.025 0.000 0.972 687 Q CA 1.010 56.838 55.803 0.042 0.000 0.903 687 Q CB -0.315 28.451 28.738 0.048 0.000 0.967 687 Q HN 0.438 nan 8.270 nan 0.000 0.486 688 A N -0.081 122.712 122.820 -0.046 0.000 1.883 688 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 688 A C 2.241 179.758 177.584 -0.111 0.000 1.186 688 A CA 1.803 53.776 52.037 -0.107 0.000 0.624 688 A CB -1.043 17.854 19.000 -0.171 0.000 0.822 688 A HN 0.441 nan 8.150 nan 0.000 0.444 689 G N -1.922 106.826 108.800 -0.087 0.000 2.404 689 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.215 689 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.215 689 G C 1.593 176.484 174.900 -0.015 0.000 1.174 689 G CA 1.279 46.336 45.100 -0.071 0.000 0.780 689 G HN 0.607 nan 8.290 nan 0.000 0.537 690 Y N 1.012 121.256 120.300 -0.093 0.000 2.220 690 Y HA 0.070 4.620 4.550 -0.000 0.000 0.291 690 Y C 2.884 178.744 175.900 -0.065 0.000 1.129 690 Y CA 1.828 59.881 58.100 -0.078 0.000 1.161 690 Y CB -0.157 38.255 38.460 -0.080 0.000 0.997 690 Y HN 0.219 nan 8.280 nan 0.000 0.522 691 S N -0.684 114.912 115.700 -0.174 0.000 2.559 691 S HA 0.028 4.498 4.470 -0.000 0.000 0.212 691 S C 1.581 176.092 174.600 -0.150 0.000 0.994 691 S CA 0.650 58.712 58.200 -0.230 0.000 0.903 691 S CB -0.447 62.702 63.200 -0.084 0.000 0.861 691 S HN 0.528 nan 8.310 nan 0.000 0.601 692 N N 2.695 121.327 118.700 -0.114 0.000 2.000 692 N HA -0.128 4.612 4.740 -0.000 0.000 0.198 692 N C 1.496 176.945 175.510 -0.102 0.000 1.057 692 N CA 1.769 54.744 53.050 -0.125 0.000 0.858 692 N CB -0.787 37.611 38.487 -0.149 0.000 1.057 692 N HN 0.413 nan 8.380 nan 0.000 0.423 693 N N 0.179 118.808 118.700 -0.118 0.000 2.272 693 N HA -0.065 4.675 4.740 -0.000 0.000 0.185 693 N C 1.160 176.661 175.510 -0.015 0.000 1.014 693 N CA 1.103 54.109 53.050 -0.073 0.000 0.870 693 N CB -0.119 38.283 38.487 -0.143 0.000 0.975 693 N HN 0.141 nan 8.380 nan 0.000 0.433 694 S N -0.150 115.513 115.700 -0.061 0.000 2.345 694 S HA -0.102 4.368 4.470 -0.000 0.000 0.219 694 S C 1.667 176.295 174.600 0.046 0.000 1.031 694 S CA 1.147 59.337 58.200 -0.018 0.000 0.984 694 S CB -0.607 62.544 63.200 -0.082 0.000 0.874 694 S HN 0.578 nan 8.310 nan 0.000 0.451 695 N N 0.677 119.364 118.700 -0.022 0.000 2.309 695 N HA -0.148 4.592 4.740 -0.000 0.000 0.182 695 N C 1.539 177.081 175.510 0.052 0.000 1.018 695 N CA 1.138 54.184 53.050 -0.007 0.000 0.876 695 N CB -0.371 38.078 38.487 -0.062 0.000 0.972 695 N HN 0.543 nan 8.380 nan 0.000 0.434 696 Y N 0.349 120.587 120.300 -0.104 0.000 2.243 696 Y HA 0.100 4.650 4.550 -0.000 0.000 0.293 696 Y C 2.061 177.954 175.900 -0.011 0.000 1.124 696 Y CA 1.388 59.415 58.100 -0.121 0.000 1.159 696 Y CB -0.332 38.037 38.460 -0.152 0.000 1.008 696 Y HN 0.038 nan 8.280 nan 0.000 0.527 697 M N 0.171 119.649 119.600 -0.204 0.000 2.202 697 M HA -0.197 4.283 4.480 -0.000 0.000 0.262 697 M C 2.360 178.624 176.300 -0.059 0.000 1.063 697 M CA 1.669 56.813 55.300 -0.260 0.000 1.097 697 M CB -0.390 32.102 32.600 -0.181 0.000 1.382 697 M HN 0.509 nan 8.290 nan 0.000 0.413 698 A N -0.866 121.995 122.820 0.069 0.000 1.968 698 A HA -0.156 4.164 4.320 -0.000 0.000 0.217 698 A C 1.829 179.311 177.584 -0.170 0.000 1.169 698 A CA 1.245 53.246 52.037 -0.058 0.000 0.638 698 A CB -0.939 17.908 19.000 -0.255 0.000 0.812 698 A HN 0.494 nan 8.150 nan 0.000 0.446 699 H N -1.459 117.440 119.070 -0.284 0.000 2.363 699 H HA -0.067 4.489 4.556 -0.000 0.000 0.301 699 H C 2.085 177.296 175.328 -0.196 0.000 1.074 699 H CA 1.539 57.382 56.048 -0.341 0.000 1.354 699 H CB -0.035 29.383 29.762 -0.573 0.000 1.397 699 H HN 0.417 nan 8.280 nan 0.000 0.516 700 L N 0.899 122.038 121.223 -0.139 0.000 2.017 700 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 700 L C 2.403 179.313 176.870 0.066 0.000 1.073 700 L CA 1.159 55.945 54.840 -0.089 0.000 0.745 700 L CB -0.871 41.017 42.059 -0.284 0.000 0.894 700 L HN -0.043 nan 8.230 nan 0.000 0.432 701 V N 0.240 120.194 119.914 0.068 0.000 2.287 701 V HA -0.342 3.778 4.120 -0.000 0.000 0.248 701 V C 2.512 178.753 176.094 0.246 0.000 1.053 701 V CA 2.004 64.445 62.300 0.234 0.000 1.027 701 V CB -0.891 30.958 31.823 0.043 0.000 0.646 701 V HN 0.557 nan 8.190 nan 0.000 0.447 702 N N 0.263 118.995 118.700 0.053 0.000 2.061 702 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 702 N C 1.778 177.368 175.510 0.133 0.000 1.030 702 N CA 1.932 55.015 53.050 0.054 0.000 0.856 702 N CB -0.451 37.990 38.487 -0.076 0.000 1.023 702 N HN 0.479 nan 8.380 nan 0.000 0.424 703 A N 0.279 123.176 122.820 0.129 0.000 1.877 703 A HA -0.092 4.228 4.320 -0.000 0.000 0.216 703 A C 2.371 180.041 177.584 0.143 0.000 1.186 703 A CA 1.244 53.365 52.037 0.139 0.000 0.620 703 A CB -0.762 18.331 19.000 0.154 0.000 0.822 703 A HN 0.308 nan 8.150 nan 0.000 0.443 704 I N -0.725 119.957 120.570 0.186 0.000 2.091 704 I HA -0.330 3.840 4.170 -0.000 0.000 0.239 704 I C 2.684 178.897 176.117 0.160 0.000 1.061 704 I CA 1.790 63.176 61.300 0.144 0.000 1.317 704 I CB -0.429 37.665 38.000 0.157 0.000 1.031 704 I HN 0.299 nan 8.210 nan 0.000 0.401 705 Q N 0.502 120.517 119.800 0.357 0.000 2.084 705 Q HA -0.319 4.020 4.340 -0.000 0.000 0.215 705 Q C 2.214 178.309 176.000 0.159 0.000 1.020 705 Q CA 2.093 58.093 55.803 0.329 0.000 0.887 705 Q CB -0.506 28.434 28.738 0.337 0.000 0.975 705 Q HN 0.447 nan 8.270 nan 0.000 0.413 706 Q N -0.864 119.008 119.800 0.121 0.000 2.124 706 Q HA -0.012 4.328 4.340 -0.000 0.000 0.202 706 Q C 1.823 177.856 176.000 0.055 0.000 0.977 706 Q CA 1.676 57.525 55.803 0.077 0.000 0.850 706 Q CB -0.631 28.149 28.738 0.070 0.000 0.901 706 Q HN 0.479 nan 8.270 nan 0.000 0.429 707 A N -0.794 122.057 122.820 0.051 0.000 2.067 707 A HA 0.056 4.376 4.320 -0.000 0.000 0.217 707 A C 1.255 178.841 177.584 0.004 0.000 1.156 707 A CA 1.088 53.138 52.037 0.021 0.000 0.683 707 A CB 0.184 19.192 19.000 0.014 0.000 0.808 707 A HN 0.148 nan 8.150 nan 0.000 0.455 708 S N -1.131 114.574 115.700 0.007 0.000 2.605 708 S HA 0.411 4.881 4.470 -0.000 0.000 0.142 708 S C -2.332 172.270 174.600 0.003 0.000 1.452 708 S CA -0.782 57.408 58.200 -0.016 0.000 1.240 708 S CB 0.380 63.546 63.200 -0.057 0.000 1.538 708 S HN 0.027 nan 8.310 nan 0.000 0.394 709 P HA -0.101 nan 4.420 nan 0.000 0.218 709 P C 1.147 178.477 177.300 0.050 0.000 1.154 709 P CA 1.250 64.379 63.100 0.049 0.000 0.872 709 P CB 0.147 31.867 31.700 0.033 0.000 0.790 710 S N -1.703 114.007 115.700 0.017 0.000 2.607 710 S HA 0.003 4.472 4.470 -0.000 0.000 0.224 710 S C 1.617 176.219 174.600 0.004 0.000 0.969 710 S CA 0.067 58.274 58.200 0.012 0.000 0.927 710 S CB -0.879 62.316 63.200 -0.007 0.000 0.772 710 S HN 0.083 nan 8.310 nan 0.000 0.533 711 I N 0.004 120.559 120.570 -0.025 0.000 2.406 711 I HA -0.016 4.153 4.170 -0.000 0.000 0.249 711 I C 1.502 177.532 176.117 -0.145 0.000 1.122 711 I CA 1.173 62.392 61.300 -0.134 0.000 1.431 711 I CB 0.041 37.881 38.000 -0.267 0.000 1.087 711 I HN 0.366 nan 8.210 nan 0.000 0.424 712 W N 1.152 122.417 121.300 -0.058 0.000 2.476 712 W HA 0.311 4.971 4.660 -0.000 0.000 0.281 712 W C 1.420 177.832 176.519 -0.177 0.000 1.230 712 W CA 0.919 58.191 57.345 -0.122 0.000 1.287 712 W CB -0.443 28.935 29.460 -0.136 0.000 1.108 712 W HN 0.286 nan 8.180 nan 0.000 0.567 713 G N 0.220 109.080 108.800 0.100 0.000 2.707 713 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.686 713 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.686 713 G C -0.127 174.737 174.900 -0.060 0.000 1.315 713 G CA -0.096 44.996 45.100 -0.013 0.000 0.832 713 G HN 0.241 nan 8.290 nan 0.000 0.573 714 N N -0.349 118.306 118.700 -0.075 0.000 2.184 714 N HA 0.084 4.824 4.740 -0.000 0.000 0.206 714 N C 0.186 175.626 175.510 -0.117 0.000 1.151 714 N CA 0.173 53.170 53.050 -0.089 0.000 0.878 714 N CB 0.351 38.806 38.487 -0.053 0.000 1.014 714 N HN 0.598 nan 8.380 nan 0.000 0.512 715 E N 0.855 120.967 120.200 -0.147 0.000 2.422 715 E HA 0.088 4.438 4.350 -0.000 0.000 0.260 715 E C 0.129 176.596 176.600 -0.221 0.000 1.108 715 E CA 0.267 56.565 56.400 -0.170 0.000 0.943 715 E CB 0.677 30.267 29.700 -0.183 0.000 0.961 715 E HN 0.018 nan 8.360 nan 0.000 0.443 716 R N 0.559 120.954 120.500 -0.175 0.000 2.596 716 R HA 0.422 4.761 4.340 -0.000 0.000 0.267 716 R C -0.357 175.824 176.300 -0.200 0.000 1.026 716 R CA -0.718 55.303 56.100 -0.133 0.000 1.087 716 R CB 0.434 30.710 30.300 -0.041 0.000 1.132 716 R HN 0.391 nan 8.270 nan 0.000 0.531 717 F N -0.035 119.905 119.950 -0.016 0.000 2.377 717 F HA 0.514 5.041 4.527 0.000 0.000 0.328 717 F C 0.363 176.152 175.800 -0.018 0.000 1.094 717 F CA -0.196 57.798 58.000 -0.011 0.000 1.093 717 F CB 1.554 40.553 39.000 -0.002 0.000 1.214 717 F HN 0.475 nan 8.300 nan 0.000 0.518 718 A N 3.211 126.126 122.820 0.159 0.000 2.429 718 A HA 0.555 4.875 4.320 -0.000 0.000 0.289 718 A C -1.391 176.212 177.584 0.032 0.000 1.043 718 A CA -0.857 51.219 52.037 0.065 0.000 0.722 718 A CB 0.738 19.755 19.000 0.027 0.000 1.243 718 A HN 0.569 nan 8.150 nan 0.000 0.415 719 L N 2.702 123.904 121.223 -0.035 0.000 2.999 719 L HA -0.128 4.212 4.340 -0.000 0.000 0.304 719 L C 0.796 177.641 176.870 -0.043 0.000 1.104 719 L CA 1.004 55.781 54.840 -0.104 0.000 0.911 719 L CB -0.777 41.152 42.059 -0.217 0.000 1.341 719 L HN 0.781 nan 8.230 nan 0.000 0.487 720 D N 6.879 127.269 120.400 -0.016 0.000 2.399 720 D HA 0.025 4.665 4.640 -0.000 0.000 0.241 720 D C -1.481 174.829 176.300 0.017 0.000 1.133 720 D CA -1.266 52.743 54.000 0.014 0.000 0.890 720 D CB 1.413 42.233 40.800 0.034 0.000 1.201 720 D HN 0.304 nan 8.370 nan 0.000 0.432 721 P HA -0.224 nan 4.420 nan 0.000 0.217 721 P C 1.387 178.715 177.300 0.047 0.000 1.158 721 P CA 2.008 65.129 63.100 0.035 0.000 0.887 721 P CB -0.117 31.604 31.700 0.035 0.000 0.792 722 S N -1.684 114.046 115.700 0.051 0.000 2.469 722 S HA -0.047 4.423 4.470 -0.000 0.000 0.238 722 S C 0.955 175.605 174.600 0.083 0.000 0.998 722 S CA 0.267 58.506 58.200 0.065 0.000 0.957 722 S CB -1.494 61.744 63.200 0.065 0.000 0.764 722 S HN -0.087 nan 8.310 nan 0.000 0.514 723 V N 1.482 121.443 119.914 0.078 0.000 3.139 723 V HA 0.248 4.368 4.120 -0.000 0.000 0.307 723 V C 0.296 176.477 176.094 0.146 0.000 1.095 723 V CA -0.374 61.992 62.300 0.110 0.000 1.160 723 V CB 0.924 32.783 31.823 0.061 0.000 1.003 723 V HN 0.328 nan 8.190 nan 0.000 0.489 724 V N 3.588 123.631 119.914 0.215 0.000 2.482 724 V HA 0.367 4.487 4.120 -0.000 0.000 0.295 724 V C -0.063 176.182 176.094 0.252 0.000 1.026 724 V CA -0.965 61.454 62.300 0.197 0.000 0.856 724 V CB 1.624 33.544 31.823 0.162 0.000 1.001 724 V HN 0.894 nan 8.190 nan 0.000 0.424 725 K N 2.739 123.262 120.400 0.205 0.000 2.118 725 K HA 0.800 5.119 4.320 -0.000 0.000 0.267 725 K C -0.522 176.143 176.600 0.108 0.000 0.991 725 K CA -0.512 55.901 56.287 0.210 0.000 0.916 725 K CB 1.787 34.405 32.500 0.196 0.000 1.041 725 K HN 0.568 nan 8.250 nan 0.000 0.455 726 S N 1.187 116.934 115.700 0.078 0.000 2.569 726 S HA 0.245 4.714 4.470 -0.000 0.000 0.280 726 S C -1.128 173.475 174.600 0.005 0.000 1.111 726 S CA -0.858 57.349 58.200 0.012 0.000 0.887 726 S CB 1.917 65.088 63.200 -0.049 0.000 1.095 726 S HN 0.435 nan 8.310 nan 0.000 0.476 727 E N 1.869 122.063 120.200 -0.010 0.000 2.259 727 E HA 0.571 4.921 4.350 -0.000 0.000 0.281 727 E C -0.639 175.955 176.600 -0.009 0.000 1.027 727 E CA -0.399 55.995 56.400 -0.010 0.000 0.838 727 E CB 1.106 30.801 29.700 -0.009 0.000 1.066 727 E HN 0.495 nan 8.360 nan 0.000 0.401 728 V N 0.562 120.473 119.914 -0.004 0.000 3.087 728 V HA 0.488 4.608 4.120 -0.000 0.000 0.306 728 V C -0.345 175.742 176.094 -0.012 0.000 1.187 728 V CA -1.229 61.074 62.300 0.004 0.000 0.999 728 V CB 1.465 33.316 31.823 0.047 0.000 1.049 728 V HN 0.462 nan 8.190 nan 0.000 0.431 729 L N 2.400 123.607 121.223 -0.026 0.000 2.361 729 L HA 0.378 4.717 4.340 -0.000 0.000 0.278 729 L C 1.712 178.545 176.870 -0.060 0.000 1.113 729 L CA -0.235 54.575 54.840 -0.049 0.000 0.849 729 L CB 0.279 42.294 42.059 -0.074 0.000 1.155 729 L HN 0.794 nan 8.230 nan 0.000 0.452 730 K N 1.550 121.919 120.400 -0.052 0.000 2.071 730 K HA -0.289 4.031 4.320 -0.000 0.000 0.217 730 K C 2.182 178.735 176.600 -0.078 0.000 1.054 730 K CA 2.240 58.495 56.287 -0.053 0.000 0.937 730 K CB -0.219 32.252 32.500 -0.048 0.000 0.719 730 K HN 0.867 nan 8.250 nan 0.000 0.454 731 S N -0.134 115.498 115.700 -0.113 0.000 2.423 731 S HA -0.171 4.299 4.470 -0.000 0.000 0.238 731 S C 1.410 175.821 174.600 -0.316 0.000 1.028 731 S CA 1.806 59.892 58.200 -0.190 0.000 1.000 731 S CB -0.447 62.620 63.200 -0.221 0.000 0.797 731 S HN 0.459 nan 8.310 nan 0.000 0.487 732 T N -4.708 109.680 114.554 -0.276 0.000 3.794 732 T HA 0.584 4.934 4.350 -0.000 0.000 0.300 732 T C 1.132 175.838 174.700 0.011 0.000 0.961 732 T CA 0.297 62.203 62.100 -0.323 0.000 1.025 732 T CB -0.145 68.184 68.868 -0.898 0.000 1.175 732 T HN 1.017 nan 8.240 nan 0.000 0.474 733 G N 1.327 110.161 108.800 0.056 0.000 2.271 733 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.277 733 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.277 733 G C -0.024 174.976 174.900 0.167 0.000 1.004 733 G CA 1.257 46.434 45.100 0.127 0.000 0.679 733 G HN 0.757 nan 8.290 nan 0.000 0.540 734 Q N -0.763 119.093 119.800 0.093 0.000 2.375 734 Q HA 0.452 4.792 4.340 -0.000 0.000 0.271 734 Q C -0.170 175.843 176.000 0.021 0.000 1.074 734 Q CA -0.956 54.893 55.803 0.078 0.000 0.808 734 Q CB 1.623 30.425 28.738 0.107 0.000 1.327 734 Q HN 0.319 nan 8.270 nan 0.000 0.441 735 K N 2.501 122.900 120.400 -0.002 0.000 2.550 735 K HA 0.001 4.321 4.320 -0.000 0.000 0.280 735 K C -2.330 174.269 176.600 -0.002 0.000 0.987 735 K CA -0.682 55.595 56.287 -0.016 0.000 1.048 735 K CB -0.291 32.185 32.500 -0.041 0.000 0.879 735 K HN 0.261 nan 8.250 nan 0.000 0.491 736 P HA 0.187 nan 4.420 nan 0.000 0.274 736 P C -0.172 177.133 177.300 0.008 0.000 1.231 736 P CA -0.266 62.837 63.100 0.005 0.000 0.790 736 P CB 1.310 33.009 31.700 -0.001 0.000 0.951 737 G N 0.504 109.313 108.800 0.016 0.000 2.321 737 G HA2 0.255 4.215 3.960 -0.000 0.000 0.296 737 G HA3 0.255 4.215 3.960 -0.000 0.000 0.296 737 G C -1.688 173.215 174.900 0.005 0.000 1.287 737 G CA -0.839 44.265 45.100 0.008 0.000 0.846 737 G HN 0.346 nan 8.290 nan 0.000 0.508 738 K N 0.167 120.563 120.400 -0.007 0.000 2.218 738 K HA 0.633 4.953 4.320 -0.000 0.000 0.276 738 K C -0.479 176.101 176.600 -0.032 0.000 1.022 738 K CA -0.328 55.945 56.287 -0.024 0.000 0.946 738 K CB 1.882 34.365 32.500 -0.028 0.000 1.000 738 K HN 0.525 nan 8.250 nan 0.000 0.468 739 V N -0.154 119.713 119.914 -0.079 0.000 3.087 739 V HA 0.156 4.276 4.120 -0.000 0.000 0.306 739 V C -0.096 175.885 176.094 -0.189 0.000 1.187 739 V CA -1.137 61.093 62.300 -0.116 0.000 0.999 739 V CB 1.992 33.739 31.823 -0.128 0.000 1.049 739 V HN 0.788 nan 8.190 nan 0.000 0.431 740 S N 1.480 117.079 115.700 -0.169 0.000 2.700 740 S HA 0.260 4.730 4.470 -0.000 0.000 0.321 740 S C -0.051 174.380 174.600 -0.281 0.000 1.161 740 S CA -0.312 57.770 58.200 -0.197 0.000 1.078 740 S CB -0.370 62.726 63.200 -0.173 0.000 1.302 740 S HN 0.569 nan 8.310 nan 0.000 0.540 741 V N 6.960 126.710 119.914 -0.273 0.000 2.169 741 V HA 0.234 4.354 4.120 -0.000 0.000 0.271 741 V C 0.186 176.176 176.094 -0.173 0.000 1.372 741 V CA -0.526 61.617 62.300 -0.262 0.000 1.348 741 V CB -1.028 30.612 31.823 -0.304 0.000 1.379 741 V HN 0.990 nan 8.190 nan 0.000 0.491 742 E N 1.346 121.423 120.200 -0.206 0.000 4.395 742 E HA -0.193 4.157 4.350 -0.000 0.000 0.190 742 E C 0.511 177.050 176.600 -0.102 0.000 1.926 742 E CA 0.432 56.743 56.400 -0.148 0.000 1.001 742 E CB -1.420 28.216 29.700 -0.106 0.000 1.026 742 E HN 1.250 nan 8.360 nan 0.000 0.337 743 G N 4.144 112.884 108.800 -0.099 0.000 2.574 743 G HA2 -0.451 3.509 3.960 -0.000 0.000 0.295 743 G HA3 -0.451 3.509 3.960 -0.000 0.000 0.295 743 G C 0.143 174.993 174.900 -0.085 0.000 1.300 743 G CA 0.975 46.028 45.100 -0.079 0.000 0.944 743 G HN 1.314 nan 8.290 nan 0.000 0.551 744 K N 0.145 120.504 120.400 -0.067 0.000 4.971 744 K HA -0.225 4.095 4.320 -0.000 0.000 0.296 744 K C 1.037 177.580 176.600 -0.094 0.000 0.724 744 K CA 1.367 57.613 56.287 -0.068 0.000 0.844 744 K CB -0.875 31.592 32.500 -0.055 0.000 1.993 744 K HN 0.962 nan 8.250 nan 0.000 0.384 745 E N 0.360 120.504 120.200 -0.092 0.000 2.418 745 E HA 0.274 4.624 4.350 -0.000 0.000 0.261 745 E C -0.555 175.989 176.600 -0.094 0.000 1.070 745 E CA -0.720 55.617 56.400 -0.105 0.000 0.931 745 E CB 0.928 30.577 29.700 -0.085 0.000 0.954 745 E HN 0.116 nan 8.360 nan 0.000 0.439 746 V N 1.495 121.343 119.914 -0.111 0.000 2.841 746 V HA 0.287 4.407 4.120 -0.000 0.000 0.310 746 V C -0.666 175.388 176.094 -0.067 0.000 1.090 746 V CA -1.101 61.141 62.300 -0.096 0.000 0.930 746 V CB 1.668 33.407 31.823 -0.141 0.000 1.014 746 V HN 0.768 nan 8.190 nan 0.000 0.425 747 E N 2.457 122.634 120.200 -0.038 0.000 2.229 747 E HA 0.541 4.891 4.350 -0.000 0.000 0.283 747 E C -0.892 175.707 176.600 -0.002 0.000 1.030 747 E CA -0.215 56.174 56.400 -0.018 0.000 0.836 747 E CB 1.468 31.160 29.700 -0.013 0.000 1.068 747 E HN 0.545 nan 8.360 nan 0.000 0.401 748 V N 3.623 123.545 119.914 0.014 0.000 2.326 748 V HA 0.639 4.759 4.120 -0.000 0.000 0.281 748 V C -0.030 176.082 176.094 0.029 0.000 1.015 748 V CA -0.675 61.654 62.300 0.048 0.000 0.823 748 V CB 0.684 32.554 31.823 0.078 0.000 1.009 748 V HN 0.784 nan 8.190 nan 0.000 0.436 749 T N 0.720 115.289 114.554 0.024 0.000 2.841 749 T HA 1.011 5.361 4.350 -0.000 0.000 0.296 749 T C -0.044 174.658 174.700 0.003 0.000 1.166 749 T CA -0.253 61.851 62.100 0.008 0.000 1.007 749 T CB 2.227 71.098 68.868 0.004 0.000 1.253 749 T HN 1.673 nan 8.240 nan 0.000 0.511 750 G N 0.435 109.231 108.800 -0.006 0.000 2.343 750 G HA2 0.467 4.427 3.960 -0.000 0.000 0.289 750 G HA3 0.467 4.427 3.960 -0.000 0.000 0.289 750 G C -0.581 174.309 174.900 -0.016 0.000 1.295 750 G CA -0.229 44.863 45.100 -0.013 0.000 0.869 750 G HN 1.582 nan 8.290 nan 0.000 0.522 751 S N -1.175 114.513 115.700 -0.020 0.000 2.632 751 S HA 0.762 5.231 4.470 -0.000 0.000 0.267 751 S C 0.616 175.203 174.600 -0.023 0.000 1.276 751 S CA 0.783 58.972 58.200 -0.018 0.000 0.998 751 S CB 1.456 64.648 63.200 -0.014 0.000 0.953 751 S HN 2.056 nan 8.310 nan 0.000 0.547 752 T N -1.971 112.572 114.554 -0.019 0.000 2.949 752 T HA 0.759 5.109 4.350 -0.000 0.000 0.287 752 T C -0.503 174.183 174.700 -0.023 0.000 1.034 752 T CA -0.738 61.350 62.100 -0.020 0.000 1.018 752 T CB 1.280 70.139 68.868 -0.015 0.000 1.135 752 T HN 1.213 nan 8.240 nan 0.000 0.532 753 V N 0.455 120.353 119.914 -0.027 0.000 3.087 753 V HA 0.596 4.716 4.120 -0.000 0.000 0.306 753 V C -0.554 175.506 176.094 -0.056 0.000 1.187 753 V CA -0.660 61.616 62.300 -0.041 0.000 0.999 753 V CB 2.465 34.258 31.823 -0.049 0.000 1.049 753 V HN 1.266 nan 8.190 nan 0.000 0.431 754 T N 3.746 118.247 114.554 -0.088 0.000 2.870 754 T HA 0.438 4.788 4.350 -0.000 0.000 0.300 754 T C -0.122 174.399 174.700 -0.298 0.000 0.989 754 T CA 0.157 62.175 62.100 -0.137 0.000 1.139 754 T CB 1.036 69.824 68.868 -0.134 0.000 0.920 754 T HN 0.808 nan 8.240 nan 0.000 0.537 755 S N 1.764 117.336 115.700 -0.212 0.000 2.521 755 S HA 0.582 5.052 4.470 -0.000 0.000 0.295 755 S C -1.387 173.196 174.600 -0.029 0.000 1.098 755 S CA -0.819 57.279 58.200 -0.171 0.000 0.999 755 S CB 0.407 63.698 63.200 0.152 0.000 1.034 755 S HN 0.489 nan 8.310 nan 0.000 0.483 756 Y N 2.226 122.611 120.300 0.142 0.000 2.320 756 Y HA 0.631 5.181 4.550 -0.000 0.000 0.324 756 Y C -0.271 175.693 175.900 0.108 0.000 1.190 756 Y CA -0.799 57.388 58.100 0.144 0.000 1.215 756 Y CB 0.787 39.275 38.460 0.046 0.000 1.221 756 Y HN 0.654 nan 8.280 nan 0.000 0.486 757 W N -0.423 120.999 121.300 0.204 0.000 3.127 757 W HA 0.637 5.297 4.660 -0.000 0.000 0.330 757 W C -0.328 176.258 176.519 0.112 0.000 1.187 757 W CA -0.936 56.485 57.345 0.127 0.000 1.198 757 W CB 1.978 31.494 29.460 0.093 0.000 1.408 757 W HN 0.506 nan 8.180 nan 0.000 0.529 758 A N 2.464 125.455 122.820 0.286 0.000 2.545 758 A HA 0.201 4.521 4.320 -0.000 0.000 0.277 758 A C 0.215 177.923 177.584 0.206 0.000 1.301 758 A CA -0.160 51.998 52.037 0.200 0.000 0.935 758 A CB -0.852 18.231 19.000 0.139 0.000 1.093 758 A HN 0.493 nan 8.150 nan 0.000 0.519 759 N N -0.304 118.552 118.700 0.259 0.000 2.563 759 N HA 0.181 4.920 4.740 -0.000 0.000 0.288 759 N C 0.811 176.410 175.510 0.148 0.000 1.246 759 N CA -0.289 52.884 53.050 0.204 0.000 0.946 759 N CB 0.783 39.419 38.487 0.248 0.000 1.213 759 N HN -0.014 nan 8.380 nan 0.000 0.578 760 K N 0.018 120.479 120.400 0.101 0.000 1.984 760 K HA -0.095 4.225 4.320 -0.000 0.000 0.209 760 K C 1.492 178.118 176.600 0.042 0.000 1.046 760 K CA 2.237 58.564 56.287 0.067 0.000 0.934 760 K CB -1.265 31.265 32.500 0.049 0.000 0.717 760 K HN 0.611 nan 8.250 nan 0.000 0.438 761 S N 0.209 115.917 115.700 0.013 0.000 2.605 761 S HA 0.291 4.761 4.470 -0.000 0.000 0.217 761 S C 0.951 175.481 174.600 -0.117 0.000 0.958 761 S CA 0.268 58.445 58.200 -0.039 0.000 0.919 761 S CB -0.753 62.416 63.200 -0.052 0.000 0.780 761 S HN 0.812 nan 8.310 nan 0.000 0.507 762 G N 1.389 110.112 108.800 -0.127 0.000 2.598 762 G HA2 0.070 4.029 3.960 -0.000 0.000 0.244 762 G HA3 0.070 4.029 3.960 -0.000 0.000 0.244 762 G C 0.160 174.470 174.900 -0.983 0.000 1.302 762 G CA -0.393 44.479 45.100 -0.381 0.000 0.903 762 G HN 1.481 nan 8.290 nan 0.000 0.575 763 A N 1.559 123.667 122.820 -1.187 0.000 2.425 763 A HA 0.654 4.974 4.320 -0.000 0.000 0.242 763 A C -0.750 176.469 177.584 -0.608 0.000 1.077 763 A CA 0.360 51.657 52.037 -1.233 0.000 0.781 763 A CB -0.179 18.494 19.000 -0.545 0.000 1.020 763 A HN 0.906 nan 8.150 nan 0.000 0.494 764 P HA 0.389 nan 4.420 nan 0.000 0.276 764 P C -0.105 177.143 177.300 -0.087 0.000 1.261 764 P CA -0.092 62.906 63.100 -0.171 0.000 0.800 764 P CB 0.610 32.272 31.700 -0.064 0.000 1.066 765 A N 1.003 123.796 122.820 -0.044 0.000 2.466 765 A HA 0.235 4.555 4.320 -0.000 0.000 0.238 765 A C 0.494 178.105 177.584 0.045 0.000 1.074 765 A CA 0.220 52.255 52.037 -0.003 0.000 0.774 765 A CB -1.019 17.982 19.000 0.001 0.000 1.015 765 A HN 0.550 nan 8.150 nan 0.000 0.498 766 T N 1.994 116.588 114.554 0.066 0.000 2.932 766 T HA 0.423 4.773 4.350 -0.000 0.000 0.312 766 T C 0.403 175.210 174.700 0.177 0.000 1.071 766 T CA 0.508 62.685 62.100 0.128 0.000 1.128 766 T CB 0.219 69.162 68.868 0.125 0.000 0.984 766 T HN 0.713 nan 8.240 nan 0.000 0.549 767 S N 0.092 115.958 115.700 0.277 0.000 2.661 767 S HA 0.330 4.800 4.470 -0.000 0.000 0.285 767 S C 0.202 175.072 174.600 0.450 0.000 1.138 767 S CA -0.872 57.488 58.200 0.267 0.000 0.855 767 S CB 1.096 64.416 63.200 0.200 0.000 1.136 767 S HN 0.783 nan 8.310 nan 0.000 0.484 768 Y N 1.697 122.141 120.300 0.241 0.000 2.274 768 Y HA 0.025 4.575 4.550 -0.000 0.000 0.290 768 Y C 0.965 177.146 175.900 0.467 0.000 1.145 768 Y CA 1.462 59.805 58.100 0.406 0.000 1.203 768 Y CB 0.210 38.702 38.460 0.052 0.000 0.984 768 Y HN 0.441 nan 8.280 nan 0.000 0.533 769 R N 1.138 121.689 120.500 0.086 0.000 2.937 769 R HA 0.137 4.477 4.340 -0.000 0.000 0.264 769 R C 0.078 176.381 176.300 0.005 0.000 1.334 769 R CA -0.268 55.602 56.100 -0.383 0.000 1.516 769 R CB -0.382 29.656 30.300 -0.436 0.000 1.187 769 R HN 0.361 nan 8.270 nan 0.000 0.609 770 F N -0.805 119.197 119.950 0.086 0.000 2.456 770 F HA 0.285 4.812 4.527 -0.000 0.000 0.298 770 F C 0.908 176.759 175.800 0.085 0.000 1.104 770 F CA -0.919 57.128 58.000 0.079 0.000 1.435 770 F CB -0.119 38.889 39.000 0.013 0.000 1.078 770 F HN 0.088 nan 8.300 nan 0.000 0.546 771 A N 1.477 124.029 122.820 -0.448 0.000 2.282 771 A HA 0.608 4.927 4.320 -0.000 0.000 0.319 771 A C 0.059 177.543 177.584 -0.166 0.000 1.121 771 A CA -0.779 51.056 52.037 -0.337 0.000 0.836 771 A CB 0.359 18.967 19.000 -0.654 0.000 1.146 771 A HN 0.152 nan 8.150 nan 0.000 0.494 772 I N 1.945 122.451 120.570 -0.107 0.000 2.436 772 I HA 0.418 4.588 4.170 -0.000 0.000 0.289 772 I C 1.155 177.137 176.117 -0.226 0.000 1.083 772 I CA 1.360 62.621 61.300 -0.066 0.000 1.372 772 I CB -1.215 36.821 38.000 0.060 0.000 1.408 772 I HN 1.151 nan 8.210 nan 0.000 0.516 773 G N 4.533 113.068 108.800 -0.441 0.000 2.681 773 G HA2 0.315 4.275 3.960 -0.000 0.000 0.220 773 G HA3 0.315 4.275 3.960 -0.000 0.000 0.220 773 G C -0.042 174.195 174.900 -1.105 0.000 1.353 773 G CA -0.034 44.232 45.100 -1.389 0.000 0.872 773 G HN 1.816 nan 8.290 nan 0.000 0.557 774 G N -2.171 105.810 108.800 -1.364 0.000 3.067 774 G HA2 0.509 4.468 3.960 -0.000 0.000 0.686 774 G HA3 0.509 4.468 3.960 -0.000 0.000 0.686 774 G C 0.280 174.939 174.900 -0.401 0.000 1.119 774 G CA 0.840 45.503 45.100 -0.728 0.000 0.790 774 G HN 2.648 nan 8.290 nan 0.000 0.605 775 S N 0.730 116.280 115.700 -0.251 0.000 2.632 775 S HA 0.609 5.079 4.470 -0.000 0.000 0.267 775 S C 0.930 175.537 174.600 0.011 0.000 1.193 775 S CA 0.640 58.796 58.200 -0.075 0.000 1.003 775 S CB 1.415 64.602 63.200 -0.021 0.000 1.073 775 S HN 0.510 nan 8.310 nan 0.000 0.553 776 D N 0.684 121.111 120.400 0.045 0.000 2.149 776 D HA 0.157 4.797 4.640 -0.000 0.000 0.206 776 D C 2.304 178.645 176.300 0.068 0.000 0.967 776 D CA 1.595 55.659 54.000 0.107 0.000 0.848 776 D CB -1.095 39.756 40.800 0.085 0.000 0.998 776 D HN 0.646 nan 8.370 nan 0.000 0.474 777 A N 1.395 124.214 122.820 -0.002 0.000 1.940 777 A HA -0.259 4.060 4.320 -0.000 0.000 0.221 777 A C 1.775 179.264 177.584 -0.158 0.000 1.190 777 A CA 2.111 54.120 52.037 -0.047 0.000 0.647 777 A CB -0.536 18.431 19.000 -0.055 0.000 0.821 777 A HN 0.107 nan 8.150 nan 0.000 0.457 778 D N -1.460 118.747 120.400 -0.322 0.000 2.075 778 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 778 D C 1.727 177.634 176.300 -0.654 0.000 0.985 778 D CA 1.403 54.893 54.000 -0.850 0.000 0.834 778 D CB -0.713 39.375 40.800 -1.187 0.000 0.987 778 D HN 0.515 nan 8.370 nan 0.000 0.452 779 Y N 1.434 121.509 120.300 -0.374 0.000 2.283 779 Y HA -0.231 4.319 4.550 -0.000 0.000 0.285 779 Y C 2.571 178.481 175.900 0.017 0.000 1.176 779 Y CA 1.379 59.345 58.100 -0.223 0.000 1.229 779 Y CB -0.336 38.012 38.460 -0.187 0.000 0.975 779 Y HN 0.126 nan 8.280 nan 0.000 0.537 780 Q N 0.170 120.085 119.800 0.191 0.000 2.033 780 Q HA -0.193 4.147 4.340 -0.000 0.000 0.196 780 Q C 2.309 178.404 176.000 0.159 0.000 0.970 780 Q CA 1.390 57.330 55.803 0.228 0.000 0.828 780 Q CB -0.326 28.505 28.738 0.155 0.000 0.895 780 Q HN 0.447 nan 8.270 nan 0.000 0.440 781 N N 0.293 119.024 118.700 0.052 0.000 2.309 781 N HA -0.137 4.603 4.740 -0.000 0.000 0.182 781 N C 1.437 177.004 175.510 0.095 0.000 1.018 781 N CA 1.324 54.412 53.050 0.062 0.000 0.876 781 N CB -0.046 38.457 38.487 0.027 0.000 0.972 781 N HN 0.332 nan 8.380 nan 0.000 0.434 782 A N -0.143 122.716 122.820 0.065 0.000 1.874 782 A HA -0.004 4.316 4.320 -0.000 0.000 0.214 782 A C 2.127 179.764 177.584 0.088 0.000 1.189 782 A CA 0.646 52.720 52.037 0.062 0.000 0.615 782 A CB -1.230 17.747 19.000 -0.037 0.000 0.830 782 A HN 0.482 nan 8.150 nan 0.000 0.443 783 W N -0.032 121.332 121.300 0.107 0.000 2.436 783 W HA -0.084 4.576 4.660 -0.000 0.000 0.284 783 W C 2.909 179.465 176.519 0.062 0.000 1.225 783 W CA 1.077 58.473 57.345 0.084 0.000 1.271 783 W CB 0.071 29.590 29.460 0.100 0.000 1.114 783 W HN 0.381 nan 8.180 nan 0.000 0.559 784 S N -0.320 115.578 115.700 0.330 0.000 2.380 784 S HA -0.318 4.152 4.470 -0.000 0.000 0.229 784 S C 2.076 176.765 174.600 0.150 0.000 1.050 784 S CA 2.303 60.621 58.200 0.196 0.000 1.100 784 S CB -0.951 62.336 63.200 0.144 0.000 0.984 784 S HN 0.193 nan 8.310 nan 0.000 0.434 785 S N 0.285 116.057 115.700 0.119 0.000 2.371 785 S HA 0.053 4.523 4.470 -0.000 0.000 0.224 785 S C 1.880 176.519 174.600 0.065 0.000 1.029 785 S CA 1.084 59.327 58.200 0.072 0.000 0.978 785 S CB -0.505 62.722 63.200 0.045 0.000 0.833 785 S HN 0.558 nan 8.310 nan 0.000 0.466 786 I N 1.407 122.021 120.570 0.073 0.000 2.315 786 I HA -0.137 4.032 4.170 -0.000 0.000 0.251 786 I C 2.316 178.513 176.117 0.134 0.000 1.125 786 I CA 0.932 62.267 61.300 0.059 0.000 1.392 786 I CB -1.216 36.811 38.000 0.046 0.000 1.065 786 I HN 0.212 nan 8.210 nan 0.000 0.424 787 V N 1.516 121.539 119.914 0.182 0.000 2.282 787 V HA -0.212 3.908 4.120 -0.000 0.000 0.249 787 V C 1.781 177.919 176.094 0.073 0.000 1.057 787 V CA 1.780 64.158 62.300 0.131 0.000 1.032 787 V CB -1.209 30.689 31.823 0.124 0.000 0.645 787 V HN 0.585 nan 8.190 nan 0.000 0.447 788 G N 1.060 109.893 108.800 0.055 0.000 2.406 788 G HA2 -0.014 3.945 3.960 -0.000 0.000 0.291 788 G HA3 -0.014 3.945 3.960 -0.000 0.000 0.291 788 G C 0.324 175.240 174.900 0.028 0.000 0.640 788 G CA 0.675 45.795 45.100 0.034 0.000 2.035 788 G HN 0.438 nan 8.290 nan 0.000 0.489 789 S N 0.000 115.717 115.700 0.028 0.000 2.498 789 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 789 S CA 0.000 58.214 58.200 0.023 0.000 1.107 789 S CB 0.000 63.216 63.200 0.027 0.000 0.593 789 S HN 0.000 nan 8.310 nan 0.000 0.517