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 3f5n_1_B DATA FIRST_RESID 22 DATA SEQUENCE PEEAIADLSV NMYNRLRATG EDENILFSPL SIALAMGMME LGAQGSTQKE DATA SEQUENCE IRHSMXXXXX XXXXEFSFLK EFSNMVTAKE SQYVMKIANS LFVQNGFHVN DATA SEQUENCE EEFLQMMKKY FNAAVNHVDF SQNVAVANYI NKWVENNTNN LVKDLVSPRD DATA SEQUENCE FDAATYLALI NAVYFKGNWK SQFRPENTRT FSFTKDDESE VQIPMMYQQG DATA SEQUENCE EFYYGEFSDG SNEAGXIYQV LEIPYEGDEI SMMLVLSRQE VPLATLEPLV DATA SEQUENCE KAQLVEEWAN SVKKQKVEVY LPRFTVEQEI DLKDVLKALG ITEIFIKDAN DATA SEQUENCE LTGLSDNKEI FLSKAIHKSF LEVNEEGSEA AAVSGMIAIS RMAVLYPQVI DATA SEQUENCE VDHPFFFLIR NRRTGTILFM GRVMHPETMN TSGHDF 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 22 P HA 0.000 nan 4.420 nan 0.000 0.216 22 P C 0.000 177.596 177.300 0.493 0.000 1.155 22 P CA 0.000 63.310 63.100 0.350 0.000 0.800 22 P CB 0.000 31.981 31.700 0.468 0.000 0.726 23 E N 0.855 121.533 120.200 0.796 0.000 2.160 23 E HA -0.178 4.172 4.350 0.001 0.000 0.195 23 E C 1.624 178.376 176.600 0.254 0.000 0.991 23 E CA 1.580 58.322 56.400 0.571 0.000 0.810 23 E CB -0.240 29.678 29.700 0.362 0.000 0.742 23 E HN 0.651 nan 8.360 nan 0.000 0.466 24 E N 0.586 120.896 120.200 0.183 0.000 2.271 24 E HA -0.367 3.983 4.350 0.001 0.000 0.209 24 E C 1.772 178.408 176.600 0.060 0.000 1.046 24 E CA 1.636 58.093 56.400 0.093 0.000 0.840 24 E CB -0.187 29.555 29.700 0.071 0.000 0.738 24 E HN 0.304 nan 8.360 nan 0.000 0.470 25 A N 1.026 123.876 122.820 0.050 0.000 1.854 25 A HA -0.065 4.256 4.320 0.001 0.000 0.214 25 A C 2.291 179.894 177.584 0.032 0.000 1.192 25 A CA 1.223 53.261 52.037 0.002 0.000 0.611 25 A CB -0.603 18.352 19.000 -0.075 0.000 0.832 25 A HN 0.386 nan 8.150 nan 0.000 0.442 26 I N 0.047 120.665 120.570 0.080 0.000 2.300 26 I HA -0.379 3.792 4.170 0.001 0.000 0.252 26 I C 2.857 179.009 176.117 0.059 0.000 1.119 26 I CA 1.052 62.404 61.300 0.086 0.000 1.384 26 I CB -0.239 37.836 38.000 0.124 0.000 1.062 26 I HN 0.421 nan 8.210 nan 0.000 0.426 27 A N 0.405 123.259 122.820 0.055 0.000 1.902 27 A HA -0.231 4.089 4.320 0.001 0.000 0.217 27 A C 1.972 179.582 177.584 0.043 0.000 1.181 27 A CA 1.940 54.003 52.037 0.042 0.000 0.623 27 A CB -0.498 18.524 19.000 0.036 0.000 0.818 27 A HN 0.378 nan 8.150 nan 0.000 0.443 28 D N -0.229 120.190 120.400 0.032 0.000 2.084 28 D HA -0.155 4.486 4.640 0.001 0.000 0.194 28 D C 1.945 178.275 176.300 0.050 0.000 0.990 28 D CA 1.556 55.572 54.000 0.027 0.000 0.826 28 D CB -0.589 40.215 40.800 0.006 0.000 0.971 28 D HN 0.375 nan 8.370 nan 0.000 0.453 29 L N 1.370 122.624 121.223 0.051 0.000 2.043 29 L HA -0.219 4.121 4.340 0.001 0.000 0.212 29 L C 2.141 179.086 176.870 0.125 0.000 1.075 29 L CA 1.758 56.639 54.840 0.067 0.000 0.752 29 L CB -0.421 41.674 42.059 0.061 0.000 0.891 29 L HN -0.127 nan 8.230 nan 0.000 0.432 30 S N -1.336 114.461 115.700 0.161 0.000 2.423 30 S HA -0.112 4.358 4.470 0.001 0.000 0.231 30 S C 1.984 176.772 174.600 0.314 0.000 1.014 30 S CA 1.018 59.394 58.200 0.293 0.000 0.965 30 S CB -0.508 62.787 63.200 0.158 0.000 0.785 30 S HN 0.350 nan 8.310 nan 0.000 0.495 31 V N 1.828 121.851 119.914 0.181 0.000 2.278 31 V HA -0.257 3.863 4.120 0.001 0.000 0.251 31 V C 1.990 178.236 176.094 0.253 0.000 1.062 31 V CA 2.413 64.816 62.300 0.172 0.000 1.038 31 V CB -0.556 31.316 31.823 0.081 0.000 0.646 31 V HN 0.597 nan 8.190 nan 0.000 0.447 32 N N -4.313 114.492 118.700 0.175 0.000 2.378 32 N HA 0.088 4.828 4.740 0.001 0.000 0.317 32 N C 1.208 176.731 175.510 0.022 0.000 0.705 32 N CA 0.324 53.421 53.050 0.078 0.000 0.671 32 N CB -0.147 38.376 38.487 0.061 0.000 2.307 32 N HN 0.113 nan 8.380 nan 0.000 1.211 33 M N -0.327 119.267 119.600 -0.010 0.000 2.236 33 M HA 0.044 4.524 4.480 0.001 0.000 0.266 33 M C 1.530 177.670 176.300 -0.267 0.000 1.070 33 M CA 1.157 56.326 55.300 -0.218 0.000 1.137 33 M CB -0.238 32.094 32.600 -0.446 0.000 1.378 33 M HN 0.286 nan 8.290 nan 0.000 0.426 34 Y N 1.522 121.737 120.300 -0.142 0.000 2.207 34 Y HA -0.261 4.290 4.550 0.001 0.000 0.287 34 Y C 2.079 177.995 175.900 0.026 0.000 1.156 34 Y CA 1.676 59.812 58.100 0.060 0.000 1.182 34 Y CB -0.232 38.451 38.460 0.372 0.000 0.979 34 Y HN 0.254 nan 8.280 nan 0.000 0.521 35 N N 0.227 118.972 118.700 0.075 0.000 2.142 35 N HA -0.163 4.577 4.740 0.001 0.000 0.186 35 N C 1.938 177.391 175.510 -0.096 0.000 1.023 35 N CA 1.290 54.333 53.050 -0.012 0.000 0.852 35 N CB -0.450 38.061 38.487 0.040 0.000 0.998 35 N HN 0.255 nan 8.380 nan 0.000 0.424 36 R N 1.459 121.900 120.500 -0.099 0.000 2.094 36 R HA 0.006 4.347 4.340 0.001 0.000 0.239 36 R C 2.106 178.318 176.300 -0.147 0.000 1.137 36 R CA 1.297 57.331 56.100 -0.111 0.000 0.943 36 R CB -0.983 29.247 30.300 -0.117 0.000 0.850 36 R HN 0.241 nan 8.270 nan 0.000 0.433 37 L N 0.070 121.167 121.223 -0.210 0.000 2.083 37 L HA -0.090 4.250 4.340 0.001 0.000 0.209 37 L C 2.614 179.354 176.870 -0.217 0.000 1.083 37 L CA 1.650 56.361 54.840 -0.215 0.000 0.752 37 L CB -0.397 41.512 42.059 -0.250 0.000 0.899 37 L HN 0.207 nan 8.230 nan 0.000 0.433 38 R N -0.047 120.271 120.500 -0.303 0.000 2.139 38 R HA -0.180 4.161 4.340 0.001 0.000 0.243 38 R C 2.369 178.590 176.300 -0.130 0.000 1.145 38 R CA 1.312 57.269 56.100 -0.240 0.000 0.976 38 R CB -0.512 29.643 30.300 -0.243 0.000 0.866 38 R HN 0.392 nan 8.270 nan 0.000 0.449 39 A N 0.763 123.515 122.820 -0.114 0.000 1.872 39 A HA -0.092 4.229 4.320 0.001 0.000 0.214 39 A C 1.810 179.354 177.584 -0.067 0.000 1.187 39 A CA 1.561 53.552 52.037 -0.076 0.000 0.614 39 A CB -0.376 18.583 19.000 -0.068 0.000 0.826 39 A HN 0.402 nan 8.150 nan 0.000 0.442 40 T N -3.483 111.025 114.554 -0.077 0.000 3.268 40 T HA 0.509 4.859 4.350 0.001 0.000 0.244 40 T C 0.428 175.097 174.700 -0.052 0.000 0.915 40 T CA 0.371 62.434 62.100 -0.061 0.000 0.935 40 T CB -0.056 68.773 68.868 -0.064 0.000 1.110 40 T HN 0.947 nan 8.240 nan 0.000 0.573 41 G N 0.589 109.360 108.800 -0.049 0.000 5.413 41 G HA2 0.126 4.087 3.960 0.001 0.000 0.206 41 G HA3 0.126 4.087 3.960 0.001 0.000 0.206 41 G C -0.381 174.506 174.900 -0.021 0.000 0.794 41 G CA -0.764 44.318 45.100 -0.031 0.000 0.751 41 G HN 0.560 nan 8.290 nan 0.000 0.334 42 E N 0.895 121.084 120.200 -0.019 0.000 3.056 42 E HA 0.045 4.395 4.350 0.001 0.000 0.264 42 E C 0.615 177.227 176.600 0.019 0.000 0.899 42 E CA 1.249 57.645 56.400 -0.006 0.000 0.966 42 E CB 0.233 29.933 29.700 -0.000 0.000 0.913 42 E HN 0.233 nan 8.360 nan 0.000 0.522 43 D N 1.647 122.057 120.400 0.017 0.000 2.603 43 D HA -0.169 4.471 4.640 0.001 0.000 0.180 43 D C -0.833 175.504 176.300 0.061 0.000 0.972 43 D CA 1.610 55.635 54.000 0.042 0.000 1.022 43 D CB -0.829 40.033 40.800 0.103 0.000 1.079 43 D HN 0.626 nan 8.370 nan 0.000 0.455 44 E N 0.292 120.525 120.200 0.056 0.000 2.266 44 E HA 0.552 4.902 4.350 0.001 0.000 0.277 44 E C 0.037 176.643 176.600 0.009 0.000 1.018 44 E CA -0.549 55.894 56.400 0.072 0.000 0.840 44 E CB 0.573 30.319 29.700 0.077 0.000 1.082 44 E HN 0.060 nan 8.360 nan 0.000 0.395 45 N N 1.462 120.160 118.700 -0.003 0.000 2.621 45 N HA -0.157 4.584 4.740 0.001 0.000 0.269 45 N C -1.668 173.889 175.510 0.078 0.000 1.154 45 N CA 0.443 53.518 53.050 0.042 0.000 0.696 45 N CB -0.865 37.686 38.487 0.106 0.000 0.878 45 N HN 0.428 nan 8.380 nan 0.000 0.550 46 I N 0.790 121.417 120.570 0.096 0.000 2.493 46 I HA 0.678 4.848 4.170 0.001 0.000 0.298 46 I C -0.296 175.938 176.117 0.194 0.000 0.998 46 I CA -1.043 60.354 61.300 0.161 0.000 1.137 46 I CB 1.810 39.924 38.000 0.190 0.000 1.310 46 I HN 0.188 nan 8.210 nan 0.000 0.445 47 L N 8.036 129.423 121.223 0.274 0.000 2.751 47 L HA 0.516 4.857 4.340 0.001 0.000 0.261 47 L C -1.757 175.359 176.870 0.409 0.000 0.927 47 L CA -0.145 54.846 54.840 0.251 0.000 0.968 47 L CB 1.500 43.691 42.059 0.219 0.000 1.432 47 L HN 0.536 nan 8.230 nan 0.000 0.439 48 F N 1.646 121.766 119.950 0.282 0.000 2.645 48 F HA 0.816 5.343 4.527 0.001 0.000 0.310 48 F C -0.860 175.142 175.800 0.337 0.000 1.102 48 F CA -0.981 57.256 58.000 0.395 0.000 0.952 48 F CB 1.815 40.991 39.000 0.293 0.000 1.326 48 F HN 0.348 nan 8.300 nan 0.000 0.456 49 S N 3.061 118.961 115.700 0.334 0.000 2.577 49 S HA 0.405 4.875 4.470 0.001 0.000 0.294 49 S C -1.713 172.779 174.600 -0.180 0.000 1.161 49 S CA -1.765 56.280 58.200 -0.258 0.000 1.143 49 S CB 0.679 63.633 63.200 -0.410 0.000 0.991 49 S HN 0.551 nan 8.310 nan 0.000 0.475 50 P HA -0.151 nan 4.420 nan 0.000 0.216 50 P C 1.573 178.812 177.300 -0.103 0.000 1.150 50 P CA 0.625 63.714 63.100 -0.018 0.000 0.843 50 P CB 0.116 31.801 31.700 -0.024 0.000 0.787 51 L N 0.268 121.343 121.223 -0.246 0.000 1.994 51 L HA -0.095 4.246 4.340 0.001 0.000 0.208 51 L C 2.703 179.519 176.870 -0.091 0.000 1.071 51 L CA 2.368 57.053 54.840 -0.259 0.000 0.745 51 L CB -1.743 40.050 42.059 -0.443 0.000 0.892 51 L HN -0.039 nan 8.230 nan 0.000 0.431 52 S N -0.843 114.787 115.700 -0.118 0.000 2.383 52 S HA -0.135 4.336 4.470 0.001 0.000 0.227 52 S C 2.124 176.710 174.600 -0.024 0.000 1.026 52 S CA 1.321 59.519 58.200 -0.003 0.000 0.981 52 S CB -0.451 62.791 63.200 0.070 0.000 0.818 52 S HN 0.468 nan 8.310 nan 0.000 0.472 53 I N 1.684 122.184 120.570 -0.118 0.000 2.208 53 I HA -0.197 3.974 4.170 0.001 0.000 0.245 53 I C 2.892 178.991 176.117 -0.029 0.000 1.097 53 I CA 1.253 62.476 61.300 -0.128 0.000 1.363 53 I CB -0.737 37.182 38.000 -0.135 0.000 1.051 53 I HN 0.440 nan 8.210 nan 0.000 0.413 54 A N 0.909 123.741 122.820 0.019 0.000 1.940 54 A HA -0.188 4.132 4.320 0.001 0.000 0.219 54 A C 2.305 179.942 177.584 0.089 0.000 1.176 54 A CA 1.369 53.451 52.037 0.075 0.000 0.631 54 A CB -0.792 18.303 19.000 0.159 0.000 0.814 54 A HN 0.382 nan 8.150 nan 0.000 0.446 55 L N -0.893 120.403 121.223 0.123 0.000 1.989 55 L HA -0.250 4.090 4.340 0.001 0.000 0.211 55 L C 3.157 179.938 176.870 -0.148 0.000 1.071 55 L CA 1.328 56.246 54.840 0.131 0.000 0.749 55 L CB -0.619 41.556 42.059 0.195 0.000 0.890 55 L HN 0.459 nan 8.230 nan 0.000 0.431 56 A N -0.698 122.064 122.820 -0.098 0.000 1.902 56 A HA -0.228 4.092 4.320 0.001 0.000 0.217 56 A C 2.249 179.727 177.584 -0.178 0.000 1.181 56 A CA 1.570 53.519 52.037 -0.148 0.000 0.623 56 A CB -0.413 18.562 19.000 -0.042 0.000 0.818 56 A HN 0.307 nan 8.150 nan 0.000 0.443 57 M N -0.306 119.229 119.600 -0.108 0.000 2.279 57 M HA -0.106 4.374 4.480 0.001 0.000 0.264 57 M C 2.170 178.394 176.300 -0.127 0.000 1.062 57 M CA 1.230 56.478 55.300 -0.086 0.000 1.099 57 M CB -1.793 30.789 32.600 -0.031 0.000 1.394 57 M HN 0.492 nan 8.290 nan 0.000 0.426 58 G N 0.716 109.385 108.800 -0.218 0.000 2.394 58 G HA2 -0.192 3.768 3.960 0.001 0.000 0.214 58 G HA3 -0.192 3.768 3.960 0.001 0.000 0.214 58 G C 1.559 176.195 174.900 -0.439 0.000 1.176 58 G CA 0.882 45.834 45.100 -0.246 0.000 0.786 58 G HN 0.574 nan 8.290 nan 0.000 0.533 59 M N -0.837 118.170 119.600 -0.989 0.000 2.159 59 M HA 0.076 4.556 4.480 0.001 0.000 0.263 59 M C 2.418 178.692 176.300 -0.043 0.000 1.063 59 M CA 1.378 56.327 55.300 -0.585 0.000 1.110 59 M CB -0.528 31.694 32.600 -0.631 0.000 1.374 59 M HN -0.000 nan 8.290 nan 0.000 0.411 60 M N 1.297 120.840 119.600 -0.094 0.000 2.108 60 M HA -0.162 4.318 4.480 0.001 0.000 0.261 60 M C 2.191 178.521 176.300 0.051 0.000 1.066 60 M CA 2.035 57.324 55.300 -0.019 0.000 1.107 60 M CB -1.402 31.150 32.600 -0.080 0.000 1.356 60 M HN 0.569 nan 8.290 nan 0.000 0.406 61 E N 0.239 120.478 120.200 0.064 0.000 2.106 61 E HA -0.159 4.191 4.350 0.001 0.000 0.192 61 E C 2.196 178.975 176.600 0.298 0.000 0.984 61 E CA 0.712 57.205 56.400 0.155 0.000 0.806 61 E CB -0.050 29.751 29.700 0.167 0.000 0.750 61 E HN 0.434 nan 8.360 nan 0.000 0.458 62 L N 0.180 121.652 121.223 0.415 0.000 2.081 62 L HA -0.172 4.168 4.340 0.001 0.000 0.212 62 L C 2.311 179.530 176.870 0.583 0.000 1.080 62 L CA 1.582 56.771 54.840 0.582 0.000 0.754 62 L CB -0.376 42.011 42.059 0.547 0.000 0.893 62 L HN 0.347 nan 8.230 nan 0.000 0.433 63 G N -1.603 107.488 108.800 0.485 0.000 2.887 63 G HA2 0.287 4.248 3.960 0.001 0.000 0.211 63 G HA3 0.287 4.248 3.960 0.001 0.000 0.211 63 G C 0.564 175.462 174.900 -0.004 0.000 1.152 63 G CA 0.445 45.576 45.100 0.053 0.000 0.769 63 G HN 0.387 nan 8.290 nan 0.000 0.541 64 A N -0.443 122.414 122.820 0.062 0.000 2.257 64 A HA 0.785 5.106 4.320 0.001 0.000 0.289 64 A C -0.057 177.553 177.584 0.044 0.000 1.095 64 A CA -0.209 51.842 52.037 0.025 0.000 0.836 64 A CB 0.856 19.869 19.000 0.020 0.000 1.111 64 A HN 0.202 nan 8.150 nan 0.000 0.497 65 Q N -1.278 118.536 119.800 0.022 0.000 2.590 65 Q HA 0.447 4.787 4.340 0.001 0.000 0.295 65 Q C 0.731 176.739 176.000 0.014 0.000 0.973 65 Q CA -0.114 55.704 55.803 0.024 0.000 0.768 65 Q CB 1.253 30.000 28.738 0.015 0.000 1.479 65 Q HN 1.603 nan 8.270 nan 0.000 0.419 66 G N 1.400 110.209 108.800 0.014 0.000 2.686 66 G HA2 -0.462 3.498 3.960 0.001 0.000 0.359 66 G HA3 -0.462 3.498 3.960 0.001 0.000 0.359 66 G C 1.097 176.001 174.900 0.007 0.000 1.222 66 G CA 1.682 46.786 45.100 0.008 0.000 0.956 66 G HN 0.604 nan 8.290 nan 0.000 0.565 67 S N -0.734 114.965 115.700 -0.001 0.000 2.383 67 S HA -0.119 4.352 4.470 0.001 0.000 0.229 67 S C 2.476 177.074 174.600 -0.004 0.000 1.030 67 S CA 2.609 60.805 58.200 -0.006 0.000 1.002 67 S CB -0.613 62.580 63.200 -0.012 0.000 0.829 67 S HN 0.774 nan 8.310 nan 0.000 0.467 68 T N 0.992 115.544 114.554 -0.004 0.000 2.937 68 T HA 0.011 4.361 4.350 0.001 0.000 0.260 68 T C 1.889 176.593 174.700 0.006 0.000 1.051 68 T CA 0.993 63.088 62.100 -0.008 0.000 1.141 68 T CB -0.251 68.605 68.868 -0.020 0.000 0.879 68 T HN 0.485 nan 8.240 nan 0.000 0.459 69 Q N 0.997 120.810 119.800 0.021 0.000 2.079 69 Q HA -0.064 4.276 4.340 0.001 0.000 0.200 69 Q C 2.271 178.303 176.000 0.053 0.000 0.974 69 Q CA 1.271 57.102 55.803 0.046 0.000 0.840 69 Q CB -0.038 28.736 28.738 0.060 0.000 0.898 69 Q HN 0.357 nan 8.270 nan 0.000 0.430 70 K N 0.415 120.840 120.400 0.042 0.000 2.211 70 K HA -0.191 4.129 4.320 0.001 0.000 0.203 70 K C 1.841 178.480 176.600 0.065 0.000 1.050 70 K CA 1.385 57.703 56.287 0.053 0.000 0.945 70 K CB 0.052 32.573 32.500 0.035 0.000 0.732 70 K HN 0.229 nan 8.250 nan 0.000 0.451 71 E N 0.319 120.541 120.200 0.038 0.000 2.106 71 E HA -0.161 4.190 4.350 0.001 0.000 0.192 71 E C 1.734 178.376 176.600 0.070 0.000 0.984 71 E CA 1.011 57.433 56.400 0.036 0.000 0.806 71 E CB 0.049 29.754 29.700 0.008 0.000 0.750 71 E HN 0.317 nan 8.360 nan 0.000 0.458 72 I N 0.326 120.928 120.570 0.054 0.000 2.193 72 I HA -0.231 3.939 4.170 0.001 0.000 0.240 72 I C 2.603 178.759 176.117 0.065 0.000 1.084 72 I CA 0.930 62.259 61.300 0.049 0.000 1.365 72 I CB -0.263 37.756 38.000 0.031 0.000 1.064 72 I HN 0.021 nan 8.210 nan 0.000 0.410 73 R N -0.250 120.295 120.500 0.076 0.000 2.096 73 R HA -0.272 4.068 4.340 0.001 0.000 0.240 73 R C 2.352 178.687 176.300 0.058 0.000 1.139 73 R CA 2.161 58.300 56.100 0.065 0.000 0.952 73 R CB -0.802 29.544 30.300 0.075 0.000 0.854 73 R HN 0.452 nan 8.270 nan 0.000 0.436 74 H N 0.311 119.384 119.070 0.005 0.000 2.256 74 H HA -0.037 4.519 4.556 0.001 0.000 0.299 74 H C 2.070 177.398 175.328 -0.001 0.000 1.071 74 H CA 2.283 58.331 56.048 -0.000 0.000 1.280 74 H CB -0.037 29.727 29.762 0.003 0.000 1.370 74 H HN 0.030 nan 8.280 nan 0.000 0.490 75 S N 0.822 116.640 115.700 0.197 0.000 2.402 75 S HA -0.135 4.335 4.470 0.001 0.000 0.233 75 S C 0.906 175.529 174.600 0.038 0.000 1.030 75 S CA 0.906 59.183 58.200 0.128 0.000 1.003 75 S CB -0.123 63.142 63.200 0.107 0.000 0.813 75 S HN 0.296 nan 8.310 nan 0.000 0.477 87 F N 2.322 122.155 119.950 -0.195 0.000 2.335 87 F HA 0.229 4.756 4.527 0.001 0.000 0.296 87 F C 2.361 177.958 175.800 -0.339 0.000 1.091 87 F CA 1.314 59.094 58.000 -0.367 0.000 1.399 87 F CB 0.201 38.767 39.000 -0.723 0.000 1.067 87 F HN 0.004 nan 8.300 nan 0.000 0.520 88 S N -0.411 115.258 115.700 -0.053 0.000 2.428 88 S HA -0.128 4.343 4.470 0.001 0.000 0.230 88 S C 1.911 176.427 174.600 -0.141 0.000 1.014 88 S CA 0.470 58.623 58.200 -0.078 0.000 0.957 88 S CB -0.517 62.659 63.200 -0.040 0.000 0.784 88 S HN 0.277 nan 8.310 nan 0.000 0.499 89 F N 2.037 121.819 119.950 -0.280 0.000 2.102 89 F HA -0.050 4.477 4.527 0.001 0.000 0.298 89 F C 1.756 177.027 175.800 -0.883 0.000 1.105 89 F CA 1.393 59.111 58.000 -0.470 0.000 1.239 89 F CB -0.134 38.675 39.000 -0.318 0.000 0.991 89 F HN 0.125 nan 8.300 nan 0.000 0.474 90 L N -0.605 120.398 121.223 -0.367 0.000 2.270 90 L HA -0.098 4.242 4.340 0.001 0.000 0.210 90 L C 2.299 179.037 176.870 -0.219 0.000 1.104 90 L CA 0.778 55.427 54.840 -0.320 0.000 0.804 90 L CB -0.611 41.424 42.059 -0.040 0.000 0.937 90 L HN 0.041 nan 8.230 nan 0.000 0.450 91 K N 0.767 121.024 120.400 -0.238 0.000 2.097 91 K HA -0.218 4.102 4.320 0.001 0.000 0.205 91 K C 1.958 178.513 176.600 -0.075 0.000 1.050 91 K CA 1.274 57.490 56.287 -0.117 0.000 0.938 91 K CB 0.210 32.676 32.500 -0.056 0.000 0.718 91 K HN 0.101 nan 8.250 nan 0.000 0.442 92 E N 0.161 120.253 120.200 -0.179 0.000 2.085 92 E HA -0.159 4.192 4.350 0.001 0.000 0.194 92 E C 1.587 178.244 176.600 0.096 0.000 0.994 92 E CA 1.628 57.966 56.400 -0.102 0.000 0.801 92 E CB -0.173 29.388 29.700 -0.230 0.000 0.743 92 E HN 0.360 nan 8.360 nan 0.000 0.453 93 F N 0.027 119.973 119.950 -0.006 0.000 2.102 93 F HA -0.161 4.366 4.527 0.001 0.000 0.298 93 F C 2.237 178.073 175.800 0.061 0.000 1.105 93 F CA 0.719 58.735 58.000 0.027 0.000 1.239 93 F CB -0.301 38.726 39.000 0.044 0.000 0.991 93 F HN 0.082 nan 8.300 nan 0.000 0.474 94 S N -0.929 114.923 115.700 0.254 0.000 2.763 94 S HA 0.092 4.562 4.470 0.001 0.000 0.237 94 S C 0.618 175.298 174.600 0.133 0.000 0.966 94 S CA -0.063 58.253 58.200 0.193 0.000 1.017 94 S CB -0.164 63.156 63.200 0.201 0.000 0.780 94 S HN 0.297 nan 8.310 nan 0.000 0.476 95 N N 0.387 119.160 118.700 0.122 0.000 2.500 95 N HA 0.264 5.004 4.740 0.001 0.000 0.292 95 N C 0.628 176.186 175.510 0.080 0.000 0.775 95 N CA 0.496 53.593 53.050 0.080 0.000 1.052 95 N CB -0.297 38.219 38.487 0.049 0.000 1.737 95 N HN 0.245 nan 8.380 nan 0.000 1.182 96 M N 1.140 120.796 119.600 0.093 0.000 2.618 96 M HA 0.182 4.663 4.480 0.001 0.000 0.240 96 M C 0.488 176.879 176.300 0.151 0.000 1.123 96 M CA 0.495 55.853 55.300 0.097 0.000 1.060 96 M CB 0.375 33.020 32.600 0.076 0.000 1.535 96 M HN 0.133 nan 8.290 nan 0.000 0.507 97 V N -4.315 115.713 119.914 0.189 0.000 2.724 97 V HA 0.499 4.620 4.120 0.001 0.000 0.341 97 V C 0.306 176.552 176.094 0.253 0.000 1.254 97 V CA -0.007 62.453 62.300 0.268 0.000 1.261 97 V CB -0.152 31.809 31.823 0.230 0.000 1.445 97 V HN 0.286 nan 8.190 nan 0.000 0.652 98 T N 0.095 114.739 114.554 0.150 0.000 3.466 98 T HA 0.227 4.577 4.350 0.001 0.000 0.281 98 T C 1.348 176.061 174.700 0.021 0.000 0.857 98 T CA 1.000 63.166 62.100 0.109 0.000 0.961 98 T CB -0.112 68.833 68.868 0.127 0.000 1.211 98 T HN 0.927 nan 8.240 nan 0.000 0.559 99 A N 2.901 125.729 122.820 0.013 0.000 2.253 99 A HA 0.305 4.626 4.320 0.001 0.000 0.225 99 A C 0.526 178.073 177.584 -0.062 0.000 1.521 99 A CA 0.477 52.506 52.037 -0.015 0.000 1.494 99 A CB -1.003 17.995 19.000 -0.003 0.000 0.804 99 A HN 0.461 nan 8.150 nan 0.000 0.614 100 K N -0.413 119.926 120.400 -0.102 0.000 3.257 100 K HA -0.221 4.100 4.320 0.001 0.000 0.270 100 K C 0.657 177.143 176.600 -0.191 0.000 0.984 100 K CA 1.111 57.305 56.287 -0.156 0.000 0.739 100 K CB -1.954 30.484 32.500 -0.104 0.000 1.351 100 K HN 1.049 nan 8.250 nan 0.000 0.463 101 E N 0.462 120.496 120.200 -0.276 0.000 2.393 101 E HA -0.170 4.181 4.350 0.001 0.000 0.201 101 E C 0.019 176.498 176.600 -0.202 0.000 1.025 101 E CA 1.084 57.348 56.400 -0.225 0.000 0.856 101 E CB -0.042 29.508 29.700 -0.250 0.000 0.771 101 E HN 0.424 nan 8.360 nan 0.000 0.526 102 S N -0.136 115.419 115.700 -0.241 0.000 3.823 102 S HA -0.234 4.236 4.470 0.001 0.000 0.560 102 S C -0.143 174.378 174.600 -0.131 0.000 0.724 102 S CA 1.021 59.125 58.200 -0.159 0.000 1.394 102 S CB -1.705 61.437 63.200 -0.097 0.000 0.856 102 S HN 0.701 nan 8.310 nan 0.000 0.768 103 Q N 0.924 120.629 119.800 -0.158 0.000 2.176 103 Q HA 0.088 4.428 4.340 0.001 0.000 0.248 103 Q C -1.358 174.638 176.000 -0.005 0.000 0.701 103 Q CA 0.462 56.229 55.803 -0.060 0.000 1.439 103 Q CB -0.717 28.027 28.738 0.010 0.000 0.900 103 Q HN 1.811 nan 8.270 nan 0.000 0.956 104 Y N -2.958 117.211 120.300 -0.218 0.000 1.856 104 Y HA 0.285 4.835 4.550 0.001 0.000 0.307 104 Y C -2.141 173.540 175.900 -0.364 0.000 1.171 104 Y CA -1.006 56.833 58.100 -0.436 0.000 1.822 104 Y CB -0.673 37.576 38.460 -0.351 0.000 1.243 104 Y HN -0.164 nan 8.280 nan 0.000 0.374 105 V N 6.367 126.112 119.914 -0.282 0.000 2.432 105 V HA 0.461 4.582 4.120 0.001 0.000 0.271 105 V C 0.454 176.554 176.094 0.010 0.000 1.046 105 V CA -0.115 62.102 62.300 -0.138 0.000 0.945 105 V CB 1.201 32.994 31.823 -0.051 0.000 0.992 105 V HN 0.815 nan 8.190 nan 0.000 0.471 106 M N 5.332 125.028 119.600 0.160 0.000 2.364 106 M HA 0.556 5.036 4.480 0.001 0.000 0.334 106 M C -0.700 175.745 176.300 0.241 0.000 1.107 106 M CA -0.719 54.782 55.300 0.336 0.000 0.988 106 M CB 2.249 35.103 32.600 0.423 0.000 1.673 106 M HN 0.473 nan 8.290 nan 0.000 0.441 107 K N 4.207 124.786 120.400 0.297 0.000 2.426 107 K HA 0.575 4.896 4.320 0.001 0.000 0.254 107 K C -1.114 175.624 176.600 0.230 0.000 0.936 107 K CA -0.620 55.782 56.287 0.190 0.000 0.801 107 K CB 2.024 34.590 32.500 0.110 0.000 1.139 107 K HN 0.645 nan 8.250 nan 0.000 0.424 108 I N -0.741 119.938 120.570 0.183 0.000 2.406 108 I HA 0.606 4.777 4.170 0.001 0.000 0.290 108 I C -0.177 176.054 176.117 0.189 0.000 0.999 108 I CA -0.898 60.529 61.300 0.211 0.000 1.124 108 I CB 2.108 40.232 38.000 0.207 0.000 1.289 108 I HN 0.482 nan 8.210 nan 0.000 0.441 109 A N 4.531 127.502 122.820 0.253 0.000 2.394 109 A HA 0.629 4.949 4.320 0.001 0.000 0.333 109 A C -0.646 177.247 177.584 0.516 0.000 1.397 109 A CA -0.422 51.847 52.037 0.387 0.000 0.884 109 A CB 0.017 19.227 19.000 0.350 0.000 1.147 109 A HN 0.675 nan 8.150 nan 0.000 0.505 110 N N 1.364 120.336 118.700 0.454 0.000 2.479 110 N HA 0.558 5.299 4.740 0.001 0.000 0.261 110 N C -1.072 174.487 175.510 0.082 0.000 0.979 110 N CA 0.197 53.391 53.050 0.240 0.000 0.930 110 N CB 1.514 40.095 38.487 0.157 0.000 1.172 110 N HN 0.493 nan 8.380 nan 0.000 0.499 111 S N 2.572 118.178 115.700 -0.158 0.000 2.607 111 S HA 0.692 5.162 4.470 0.001 0.000 0.273 111 S C -2.132 172.197 174.600 -0.451 0.000 1.148 111 S CA -0.555 57.325 58.200 -0.533 0.000 0.833 111 S CB 0.813 63.155 63.200 -1.431 0.000 1.130 111 S HN 0.336 nan 8.310 nan 0.000 0.470 112 L N 2.945 123.841 121.223 -0.545 0.000 2.404 112 L HA 0.637 4.977 4.340 0.001 0.000 0.272 112 L C -1.775 174.850 176.870 -0.408 0.000 0.980 112 L CA -0.344 54.329 54.840 -0.278 0.000 0.836 112 L CB 0.826 42.818 42.059 -0.112 0.000 1.238 112 L HN 0.652 nan 8.230 nan 0.000 0.408 113 F N 4.561 124.492 119.950 -0.033 0.000 2.404 113 F HA 0.599 5.126 4.527 0.001 0.000 0.354 113 F C 0.278 176.140 175.800 0.104 0.000 1.122 113 F CA -0.629 57.361 58.000 -0.016 0.000 1.080 113 F CB 1.742 40.756 39.000 0.023 0.000 1.131 113 F HN 0.215 nan 8.300 nan 0.000 0.471 114 V N 4.077 124.037 119.914 0.077 0.000 2.628 114 V HA 0.483 4.603 4.120 0.001 0.000 0.306 114 V C -0.354 175.840 176.094 0.167 0.000 1.045 114 V CA -0.651 61.706 62.300 0.095 0.000 0.905 114 V CB 1.799 33.545 31.823 -0.129 0.000 0.997 114 V HN 0.790 nan 8.190 nan 0.000 0.436 115 Q N 4.295 124.369 119.800 0.456 0.000 2.524 115 Q HA 0.125 4.466 4.340 0.001 0.000 0.246 115 Q C 0.687 177.006 176.000 0.531 0.000 1.063 115 Q CA 0.931 57.056 55.803 0.537 0.000 0.945 115 Q CB 0.602 29.856 28.738 0.861 0.000 1.292 115 Q HN 0.812 nan 8.270 nan 0.000 0.518 116 N N 0.844 119.730 118.700 0.310 0.000 2.270 116 N HA 0.001 4.741 4.740 0.001 0.000 0.181 116 N C 1.224 176.720 175.510 -0.024 0.000 1.016 116 N CA 1.199 54.318 53.050 0.114 0.000 0.870 116 N CB -0.329 38.137 38.487 -0.035 0.000 0.979 116 N HN 0.722 nan 8.380 nan 0.000 0.431 117 G N -0.152 108.627 108.800 -0.036 0.000 2.402 117 G HA2 -0.107 3.853 3.960 0.001 0.000 0.216 117 G HA3 -0.107 3.853 3.960 0.001 0.000 0.216 117 G C 0.184 174.985 174.900 -0.164 0.000 1.162 117 G CA 0.158 45.129 45.100 -0.215 0.000 0.777 117 G HN 0.160 nan 8.290 nan 0.000 0.539 118 F N 0.978 121.014 119.950 0.143 0.000 2.471 118 F HA 0.353 4.881 4.527 0.001 0.000 0.353 118 F C 0.937 176.832 175.800 0.158 0.000 1.113 118 F CA -0.397 57.697 58.000 0.158 0.000 1.262 118 F CB 0.546 39.615 39.000 0.114 0.000 1.146 118 F HN 0.030 nan 8.300 nan 0.000 0.578 119 H N 1.295 120.528 119.070 0.273 0.000 2.499 119 H HA 0.483 5.039 4.556 0.001 0.000 0.340 119 H C -0.830 174.597 175.328 0.165 0.000 1.148 119 H CA -0.796 55.384 56.048 0.221 0.000 1.215 119 H CB 2.223 32.060 29.762 0.125 0.000 1.529 119 H HN 0.284 nan 8.280 nan 0.000 0.510 120 V N 3.574 123.630 119.914 0.237 0.000 2.394 120 V HA -0.005 4.115 4.120 0.001 0.000 0.282 120 V C 0.164 176.362 176.094 0.173 0.000 1.031 120 V CA -1.089 61.293 62.300 0.136 0.000 0.881 120 V CB 0.987 32.880 31.823 0.118 0.000 0.982 120 V HN 0.710 nan 8.190 nan 0.000 0.451 121 N N 4.101 122.877 118.700 0.128 0.000 2.236 121 N HA -0.088 4.652 4.740 0.001 0.000 0.274 121 N C 1.141 176.766 175.510 0.191 0.000 1.339 121 N CA 0.282 53.421 53.050 0.147 0.000 0.845 121 N CB 0.565 39.127 38.487 0.125 0.000 1.091 121 N HN 0.658 nan 8.380 nan 0.000 0.489 122 E N 1.537 121.826 120.200 0.149 0.000 2.233 122 E HA -0.257 4.093 4.350 0.001 0.000 0.199 122 E C 1.365 178.039 176.600 0.122 0.000 1.004 122 E CA 1.209 57.688 56.400 0.131 0.000 0.819 122 E CB 0.095 29.852 29.700 0.096 0.000 0.738 122 E HN 0.717 nan 8.360 nan 0.000 0.478 123 E N -0.473 119.806 120.200 0.132 0.000 2.112 123 E HA -0.127 4.224 4.350 0.001 0.000 0.190 123 E C 1.632 178.318 176.600 0.144 0.000 0.979 123 E CA 0.315 56.783 56.400 0.113 0.000 0.814 123 E CB -0.099 29.662 29.700 0.103 0.000 0.762 123 E HN 0.333 nan 8.360 nan 0.000 0.460 124 F N 1.409 121.400 119.950 0.068 0.000 2.161 124 F HA -0.162 4.366 4.527 0.001 0.000 0.300 124 F C 1.785 177.632 175.800 0.079 0.000 1.089 124 F CA 1.173 59.223 58.000 0.084 0.000 1.282 124 F CB -0.029 39.014 39.000 0.072 0.000 1.010 124 F HN 0.001 nan 8.300 nan 0.000 0.485 125 L N -0.203 121.091 121.223 0.119 0.000 2.083 125 L HA -0.239 4.102 4.340 0.001 0.000 0.209 125 L C 2.383 179.217 176.870 -0.061 0.000 1.083 125 L CA 1.529 56.380 54.840 0.018 0.000 0.752 125 L CB -0.682 41.432 42.059 0.092 0.000 0.899 125 L HN 0.256 nan 8.230 nan 0.000 0.433 126 Q N -1.286 118.490 119.800 -0.040 0.000 2.123 126 Q HA -0.098 4.242 4.340 0.001 0.000 0.196 126 Q C 2.339 178.264 176.000 -0.125 0.000 0.958 126 Q CA 0.863 56.628 55.803 -0.065 0.000 0.841 126 Q CB -0.076 28.639 28.738 -0.038 0.000 0.915 126 Q HN 0.354 nan 8.270 nan 0.000 0.455 127 M N 0.290 119.822 119.600 -0.113 0.000 2.073 127 M HA -0.200 4.280 4.480 0.001 0.000 0.258 127 M C 2.310 178.579 176.300 -0.052 0.000 1.070 127 M CA 1.579 56.826 55.300 -0.088 0.000 1.103 127 M CB -0.807 31.825 32.600 0.054 0.000 1.321 127 M HN 0.306 nan 8.290 nan 0.000 0.405 128 M N 0.212 119.710 119.600 -0.170 0.000 2.082 128 M HA -0.234 4.247 4.480 0.001 0.000 0.258 128 M C 2.114 178.446 176.300 0.053 0.000 1.069 128 M CA 1.945 57.207 55.300 -0.063 0.000 1.102 128 M CB -0.390 31.997 32.600 -0.356 0.000 1.336 128 M HN 0.153 nan 8.290 nan 0.000 0.404 129 K N -0.505 119.869 120.400 -0.044 0.000 2.025 129 K HA -0.209 4.112 4.320 0.001 0.000 0.207 129 K C 2.140 178.702 176.600 -0.064 0.000 1.049 129 K CA 1.623 57.894 56.287 -0.027 0.000 0.933 129 K CB -0.197 32.279 32.500 -0.040 0.000 0.714 129 K HN 0.330 nan 8.250 nan 0.000 0.438 130 K N -0.471 119.818 120.400 -0.185 0.000 1.978 130 K HA -0.192 4.128 4.320 0.001 0.000 0.214 130 K C 2.009 178.439 176.600 -0.284 0.000 1.049 130 K CA 1.892 57.983 56.287 -0.327 0.000 0.939 130 K CB -0.210 31.910 32.500 -0.634 0.000 0.721 130 K HN 0.144 nan 8.250 nan 0.000 0.441 131 Y N -0.993 119.237 120.300 -0.117 0.000 2.314 131 Y HA 0.005 4.556 4.550 0.001 0.000 0.294 131 Y C 1.820 177.445 175.900 -0.458 0.000 1.119 131 Y CA 0.716 58.621 58.100 -0.326 0.000 1.179 131 Y CB -0.088 38.094 38.460 -0.462 0.000 1.025 131 Y HN 0.058 nan 8.280 nan 0.000 0.541 132 F N -0.877 119.146 119.950 0.121 0.000 2.731 132 F HA 0.178 4.705 4.527 0.001 0.000 0.298 132 F C 0.903 176.736 175.800 0.055 0.000 1.106 132 F CA -0.170 57.869 58.000 0.065 0.000 1.329 132 F CB -0.311 38.704 39.000 0.025 0.000 1.100 132 F HN -0.085 nan 8.300 nan 0.000 0.592 133 N N 0.768 119.567 118.700 0.164 0.000 2.716 133 N HA -0.216 4.524 4.740 0.001 0.000 0.250 133 N C -0.277 175.327 175.510 0.156 0.000 1.033 133 N CA 0.557 53.678 53.050 0.120 0.000 0.727 133 N CB -0.901 37.647 38.487 0.101 0.000 0.950 133 N HN 0.374 nan 8.380 nan 0.000 0.541 134 A N -0.491 122.431 122.820 0.169 0.000 2.420 134 A HA 0.981 5.302 4.320 0.001 0.000 0.291 134 A C 0.106 177.744 177.584 0.090 0.000 1.228 134 A CA 0.243 52.362 52.037 0.137 0.000 0.933 134 A CB 1.320 20.370 19.000 0.084 0.000 1.428 134 A HN 1.139 nan 8.150 nan 0.000 0.493 135 A N -1.973 120.873 122.820 0.043 0.000 2.601 135 A HA 0.616 4.937 4.320 0.001 0.000 0.291 135 A C -1.586 175.907 177.584 -0.152 0.000 1.075 135 A CA -0.313 51.723 52.037 -0.001 0.000 0.671 135 A CB 0.813 19.874 19.000 0.102 0.000 1.277 135 A HN 1.345 nan 8.150 nan 0.000 0.417 136 V N 2.124 121.954 119.914 -0.140 0.000 2.604 136 V HA 0.504 4.625 4.120 0.001 0.000 0.305 136 V C -0.641 175.308 176.094 -0.243 0.000 1.043 136 V CA -0.890 61.269 62.300 -0.234 0.000 0.888 136 V CB 1.981 33.755 31.823 -0.082 0.000 0.995 136 V HN 0.858 nan 8.190 nan 0.000 0.429 137 N N 1.537 120.002 118.700 -0.392 0.000 2.335 137 N HA 0.456 5.196 4.740 0.001 0.000 0.304 137 N C -1.038 174.391 175.510 -0.135 0.000 1.135 137 N CA -0.666 52.283 53.050 -0.169 0.000 0.817 137 N CB 1.730 40.190 38.487 -0.045 0.000 1.294 137 N HN 0.632 nan 8.380 nan 0.000 0.497 138 H N 0.841 119.894 119.070 -0.028 0.000 2.556 138 H HA 0.345 4.901 4.556 0.001 0.000 0.310 138 H C -0.482 174.727 175.328 -0.198 0.000 1.057 138 H CA -0.389 55.610 56.048 -0.080 0.000 1.264 138 H CB 0.987 30.695 29.762 -0.089 0.000 1.404 138 H HN 0.282 nan 8.280 nan 0.000 0.462 139 V N 1.440 121.253 119.914 -0.168 0.000 2.735 139 V HA 0.266 4.386 4.120 0.001 0.000 0.310 139 V C -0.123 175.700 176.094 -0.451 0.000 1.061 139 V CA -1.173 60.860 62.300 -0.445 0.000 0.913 139 V CB 2.337 33.735 31.823 -0.707 0.000 1.005 139 V HN 0.562 nan 8.190 nan 0.000 0.428 140 D N 3.021 123.221 120.400 -0.334 0.000 2.453 140 D HA 0.343 4.984 4.640 0.001 0.000 0.223 140 D C 0.454 176.644 176.300 -0.183 0.000 1.183 140 D CA -0.356 53.538 54.000 -0.176 0.000 0.933 140 D CB 0.188 40.930 40.800 -0.098 0.000 1.038 140 D HN 0.480 nan 8.370 nan 0.000 0.513 141 F N 1.519 121.454 119.950 -0.025 0.000 2.664 141 F HA -0.075 4.452 4.527 0.001 0.000 0.297 141 F C 2.445 178.243 175.800 -0.004 0.000 1.164 141 F CA 0.310 58.281 58.000 -0.047 0.000 1.472 141 F CB -0.197 38.803 39.000 0.001 0.000 1.108 141 F HN 0.321 nan 8.300 nan 0.000 0.596 142 S N -0.807 114.978 115.700 0.142 0.000 2.453 142 S HA -0.108 4.362 4.470 0.001 0.000 0.231 142 S C 1.146 175.784 174.600 0.064 0.000 1.005 142 S CA 0.634 58.893 58.200 0.098 0.000 0.949 142 S CB -0.263 62.979 63.200 0.070 0.000 0.774 142 S HN 0.452 nan 8.310 nan 0.000 0.510 143 Q N 2.143 121.959 119.800 0.028 0.000 3.135 143 Q HA 0.181 4.521 4.340 0.001 0.000 0.344 143 Q C 0.771 176.783 176.000 0.019 0.000 1.321 143 Q CA -0.503 55.304 55.803 0.007 0.000 1.050 143 Q CB 0.037 28.754 28.738 -0.035 0.000 1.498 143 Q HN 0.427 nan 8.270 nan 0.000 0.503 144 N N -0.289 118.464 118.700 0.088 0.000 2.182 144 N HA -0.206 4.534 4.740 0.001 0.000 0.192 144 N C 1.162 176.755 175.510 0.138 0.000 1.007 144 N CA 1.509 54.661 53.050 0.170 0.000 0.873 144 N CB -0.355 38.255 38.487 0.204 0.000 0.998 144 N HN 0.234 nan 8.380 nan 0.000 0.436 145 V N 1.289 121.251 119.914 0.079 0.000 2.302 145 V HA -0.021 4.099 4.120 0.001 0.000 0.243 145 V C 2.886 178.999 176.094 0.032 0.000 1.036 145 V CA 1.561 63.900 62.300 0.065 0.000 1.020 145 V CB -1.103 30.749 31.823 0.047 0.000 0.657 145 V HN 0.511 nan 8.190 nan 0.000 0.453 146 A N -0.329 122.493 122.820 0.003 0.000 1.892 146 A HA -0.224 4.097 4.320 0.001 0.000 0.218 146 A C 2.464 180.020 177.584 -0.047 0.000 1.188 146 A CA 2.340 54.367 52.037 -0.017 0.000 0.631 146 A CB -0.925 18.051 19.000 -0.040 0.000 0.822 146 A HN 0.313 nan 8.150 nan 0.000 0.447 147 V N -0.389 119.446 119.914 -0.131 0.000 2.343 147 V HA -0.159 3.961 4.120 0.001 0.000 0.247 147 V C 2.850 178.743 176.094 -0.336 0.000 1.051 147 V CA 2.236 64.357 62.300 -0.297 0.000 1.036 147 V CB -0.734 30.801 31.823 -0.480 0.000 0.654 147 V HN 0.627 nan 8.190 nan 0.000 0.451 148 A N -0.033 122.661 122.820 -0.210 0.000 1.902 148 A HA -0.212 4.109 4.320 0.001 0.000 0.217 148 A C 2.003 179.587 177.584 0.001 0.000 1.181 148 A CA 1.971 53.997 52.037 -0.018 0.000 0.623 148 A CB -0.758 18.399 19.000 0.262 0.000 0.818 148 A HN 0.625 nan 8.150 nan 0.000 0.443 149 N N -1.309 117.404 118.700 0.023 0.000 2.120 149 N HA -0.175 4.565 4.740 0.001 0.000 0.188 149 N C 1.562 177.098 175.510 0.043 0.000 1.024 149 N CA 1.725 54.798 53.050 0.039 0.000 0.852 149 N CB -0.653 37.861 38.487 0.045 0.000 1.003 149 N HN 0.690 nan 8.380 nan 0.000 0.424 150 Y N 1.276 121.528 120.300 -0.080 0.000 2.181 150 Y HA -0.049 4.501 4.550 0.001 0.000 0.288 150 Y C 2.131 178.012 175.900 -0.031 0.000 1.146 150 Y CA 1.293 59.361 58.100 -0.054 0.000 1.164 150 Y CB -0.338 38.061 38.460 -0.101 0.000 0.982 150 Y HN -0.026 nan 8.280 nan 0.000 0.515 151 I N 0.317 120.745 120.570 -0.237 0.000 2.202 151 I HA -0.314 3.857 4.170 0.001 0.000 0.242 151 I C 1.909 177.992 176.117 -0.057 0.000 1.091 151 I CA 1.293 62.382 61.300 -0.352 0.000 1.368 151 I CB -0.501 37.159 38.000 -0.568 0.000 1.058 151 I HN 0.234 nan 8.210 nan 0.000 0.410 152 N N 0.763 119.454 118.700 -0.016 0.000 2.348 152 N HA -0.210 4.530 4.740 0.001 0.000 0.185 152 N C 1.738 177.262 175.510 0.024 0.000 1.019 152 N CA 1.164 54.239 53.050 0.040 0.000 0.880 152 N CB -0.139 38.374 38.487 0.043 0.000 0.965 152 N HN 0.237 nan 8.380 nan 0.000 0.437 153 K N -0.403 119.986 120.400 -0.018 0.000 2.168 153 K HA 0.005 4.325 4.320 0.001 0.000 0.201 153 K C 1.800 178.372 176.600 -0.046 0.000 1.049 153 K CA 0.311 56.573 56.287 -0.041 0.000 0.974 153 K CB -0.531 31.940 32.500 -0.048 0.000 0.792 153 K HN 0.151 nan 8.250 nan 0.000 0.463 154 W N 0.561 121.704 121.300 -0.261 0.000 2.318 154 W HA -0.254 4.406 4.660 0.001 0.000 0.313 154 W C 1.464 177.954 176.519 -0.047 0.000 1.221 154 W CA 1.987 59.224 57.345 -0.180 0.000 1.266 154 W CB -0.343 29.024 29.460 -0.154 0.000 1.150 154 W HN -0.117 nan 8.180 nan 0.000 0.496 155 V N 1.040 121.164 119.914 0.350 0.000 2.287 155 V HA -0.358 3.762 4.120 0.001 0.000 0.248 155 V C 2.152 178.190 176.094 -0.092 0.000 1.053 155 V CA 2.503 64.922 62.300 0.198 0.000 1.027 155 V CB -1.084 30.908 31.823 0.282 0.000 0.646 155 V HN 0.254 nan 8.190 nan 0.000 0.447 156 E N 0.231 120.384 120.200 -0.079 0.000 2.085 156 E HA -0.240 4.110 4.350 0.001 0.000 0.194 156 E C 2.024 178.500 176.600 -0.206 0.000 0.994 156 E CA 1.496 57.820 56.400 -0.127 0.000 0.801 156 E CB -0.276 29.367 29.700 -0.095 0.000 0.743 156 E HN 0.568 nan 8.360 nan 0.000 0.453 157 N N 0.747 119.290 118.700 -0.262 0.000 2.430 157 N HA -0.118 4.623 4.740 0.001 0.000 0.186 157 N C 0.411 175.695 175.510 -0.375 0.000 1.032 157 N CA 0.952 53.821 53.050 -0.302 0.000 0.893 157 N CB -0.056 38.235 38.487 -0.326 0.000 0.957 157 N HN 0.153 nan 8.380 nan 0.000 0.442 158 N N -2.040 116.372 118.700 -0.480 0.000 2.200 158 N HA 0.086 4.826 4.740 0.001 0.000 0.224 158 N C -0.011 175.338 175.510 -0.267 0.000 1.179 158 N CA 0.121 52.885 53.050 -0.477 0.000 0.877 158 N CB 0.939 38.874 38.487 -0.921 0.000 1.072 158 N HN 0.165 nan 8.380 nan 0.000 0.519 159 T N -3.610 110.813 114.554 -0.218 0.000 3.332 159 T HA 0.196 4.546 4.350 0.001 0.000 0.304 159 T C 0.250 174.809 174.700 -0.234 0.000 0.971 159 T CA -0.480 61.521 62.100 -0.164 0.000 0.954 159 T CB -0.343 68.465 68.868 -0.100 0.000 1.175 159 T HN -0.029 nan 8.240 nan 0.000 0.519 160 N N 2.482 121.050 118.700 -0.220 0.000 2.714 160 N HA -0.239 4.501 4.740 0.001 0.000 0.252 160 N C 0.085 175.452 175.510 -0.239 0.000 1.014 160 N CA 1.108 54.028 53.050 -0.217 0.000 0.735 160 N CB -2.267 36.088 38.487 -0.221 0.000 0.924 160 N HN 0.809 nan 8.380 nan 0.000 0.540 161 N N -1.854 116.719 118.700 -0.212 0.000 2.714 161 N HA -0.247 4.493 4.740 0.001 0.000 0.250 161 N C 0.680 176.030 175.510 -0.267 0.000 1.117 161 N CA 1.114 54.045 53.050 -0.199 0.000 0.719 161 N CB -0.714 37.676 38.487 -0.162 0.000 1.081 161 N HN 0.528 nan 8.380 nan 0.000 0.557 162 L N -1.506 119.503 121.223 -0.356 0.000 2.298 162 L HA 0.167 4.507 4.340 0.001 0.000 0.209 162 L C 0.387 177.023 176.870 -0.390 0.000 1.084 162 L CA 0.625 55.148 54.840 -0.528 0.000 0.816 162 L CB 0.234 41.713 42.059 -0.967 0.000 0.967 162 L HN -0.028 nan 8.230 nan 0.000 0.460 163 V N 0.991 120.784 119.914 -0.201 0.000 2.417 163 V HA 0.325 4.445 4.120 0.001 0.000 0.291 163 V C -0.276 175.795 176.094 -0.039 0.000 1.024 163 V CA -0.666 61.592 62.300 -0.071 0.000 0.861 163 V CB 1.547 33.397 31.823 0.046 0.000 0.985 163 V HN 0.156 nan 8.190 nan 0.000 0.436 164 K N 2.011 122.404 120.400 -0.013 0.000 2.400 164 K HA 0.514 4.835 4.320 0.001 0.000 0.246 164 K C -0.820 175.807 176.600 0.046 0.000 0.995 164 K CA -0.990 55.301 56.287 0.007 0.000 0.840 164 K CB 1.488 33.980 32.500 -0.015 0.000 1.293 164 K HN 0.625 nan 8.250 nan 0.000 0.445 165 D N 1.508 121.938 120.400 0.050 0.000 2.697 165 D HA -0.180 4.460 4.640 0.001 0.000 0.238 165 D C 0.531 176.880 176.300 0.080 0.000 1.152 165 D CA 0.446 54.483 54.000 0.063 0.000 0.666 165 D CB -0.993 39.839 40.800 0.053 0.000 1.037 165 D HN 0.427 nan 8.370 nan 0.000 0.423 166 L N -0.447 120.836 121.223 0.099 0.000 2.083 166 L HA -0.076 4.264 4.340 0.001 0.000 0.209 166 L C 1.127 178.063 176.870 0.109 0.000 1.083 166 L CA 1.518 56.427 54.840 0.116 0.000 0.752 166 L CB 0.270 42.421 42.059 0.154 0.000 0.899 166 L HN 0.306 nan 8.230 nan 0.000 0.433 167 V N -4.403 115.585 119.914 0.123 0.000 3.156 167 V HA 0.897 5.018 4.120 0.001 0.000 0.311 167 V C -0.413 175.757 176.094 0.127 0.000 1.208 167 V CA -0.065 62.316 62.300 0.135 0.000 1.063 167 V CB 1.390 33.392 31.823 0.298 0.000 1.098 167 V HN 0.213 nan 8.190 nan 0.000 0.452 168 S N -0.740 115.025 115.700 0.110 0.000 2.705 168 S HA 0.711 5.181 4.470 0.001 0.000 0.280 168 S C -2.643 172.050 174.600 0.155 0.000 1.174 168 S CA -0.920 57.346 58.200 0.110 0.000 0.823 168 S CB 1.432 64.659 63.200 0.044 0.000 1.162 168 S HN 0.546 nan 8.310 nan 0.000 0.487 169 P HA 0.093 nan 4.420 nan 0.000 0.223 169 P C 0.860 178.231 177.300 0.117 0.000 1.151 169 P CA 0.776 63.985 63.100 0.181 0.000 0.787 169 P CB -0.048 31.717 31.700 0.108 0.000 0.788 170 R N -0.625 119.882 120.500 0.012 0.000 2.299 170 R HA 0.025 4.366 4.340 0.001 0.000 0.197 170 R C 0.824 177.024 176.300 -0.167 0.000 0.971 170 R CA 0.591 56.664 56.100 -0.046 0.000 1.030 170 R CB -0.466 29.806 30.300 -0.046 0.000 0.932 170 R HN 0.205 nan 8.270 nan 0.000 0.477 171 D N 0.078 120.264 120.400 -0.356 0.000 2.363 171 D HA 0.015 4.655 4.640 0.001 0.000 0.226 171 D C -0.313 175.365 176.300 -1.036 0.000 1.020 171 D CA 0.911 54.431 54.000 -0.799 0.000 0.892 171 D CB 0.194 40.260 40.800 -1.224 0.000 0.900 171 D HN 0.033 nan 8.370 nan 0.000 0.531 172 F N 0.461 120.397 119.950 -0.022 0.000 2.613 172 F HA 0.324 4.851 4.527 0.001 0.000 0.310 172 F C 0.040 175.828 175.800 -0.020 0.000 1.085 172 F CA -1.278 56.706 58.000 -0.026 0.000 0.945 172 F CB 1.900 40.981 39.000 0.135 0.000 1.298 172 F HN -0.302 nan 8.300 nan 0.000 0.455 173 D N 0.103 120.583 120.400 0.133 0.000 2.677 173 D HA 0.422 5.063 4.640 0.001 0.000 0.298 173 D C -0.537 175.799 176.300 0.060 0.000 1.250 173 D CA -0.782 53.265 54.000 0.079 0.000 0.888 173 D CB 1.244 42.048 40.800 0.007 0.000 1.397 173 D HN 0.590 nan 8.370 nan 0.000 0.461 174 A N -0.752 122.098 122.820 0.051 0.000 2.236 174 A HA 0.481 4.801 4.320 0.001 0.000 0.214 174 A C 1.039 178.604 177.584 -0.031 0.000 1.287 174 A CA 0.979 53.056 52.037 0.067 0.000 0.909 174 A CB -1.153 17.892 19.000 0.075 0.000 0.839 174 A HN 0.751 nan 8.150 nan 0.000 0.486 175 A N -1.534 121.167 122.820 -0.199 0.000 2.498 175 A HA 0.227 4.547 4.320 0.001 0.000 0.238 175 A C 1.856 178.850 177.584 -0.984 0.000 1.225 175 A CA 0.990 52.726 52.037 -0.502 0.000 0.978 175 A CB -0.463 18.396 19.000 -0.236 0.000 1.142 175 A HN 0.578 nan 8.150 nan 0.000 0.552 176 T N -4.161 109.965 114.554 -0.713 0.000 2.951 176 T HA -0.076 4.274 4.350 0.001 0.000 0.268 176 T C 1.323 175.556 174.700 -0.779 0.000 1.073 176 T CA 1.605 63.234 62.100 -0.786 0.000 1.134 176 T CB -0.523 67.860 68.868 -0.808 0.000 0.884 176 T HN 0.632 nan 8.240 nan 0.000 0.479 177 Y N 0.669 120.786 120.300 -0.304 0.000 2.729 177 Y HA -0.246 4.304 4.550 0.001 0.000 0.483 177 Y C 0.506 176.270 175.900 -0.226 0.000 1.111 177 Y CA 0.774 58.718 58.100 -0.260 0.000 2.927 177 Y CB -1.911 36.241 38.460 -0.514 0.000 0.984 177 Y HN 0.680 nan 8.280 nan 0.000 0.571 178 L N -1.958 119.150 121.223 -0.192 0.000 2.491 178 L HA 1.041 5.381 4.340 0.001 0.000 0.254 178 L C -0.719 176.082 176.870 -0.115 0.000 1.048 178 L CA -1.550 53.265 54.840 -0.043 0.000 0.855 178 L CB 1.722 43.750 42.059 -0.052 0.000 1.466 178 L HN 0.747 nan 8.230 nan 0.000 0.409 179 A N 1.123 124.015 122.820 0.119 0.000 2.549 179 A HA 0.791 5.111 4.320 0.001 0.000 0.297 179 A C -1.994 175.727 177.584 0.228 0.000 1.061 179 A CA -0.425 51.705 52.037 0.156 0.000 0.690 179 A CB 1.635 20.799 19.000 0.273 0.000 1.287 179 A HN 1.073 nan 8.150 nan 0.000 0.402 180 L N 2.107 123.436 121.223 0.177 0.000 2.298 180 L HA 0.785 5.125 4.340 0.001 0.000 0.284 180 L C -1.474 175.523 176.870 0.212 0.000 1.013 180 L CA -0.461 54.471 54.840 0.153 0.000 0.824 180 L CB 0.811 42.923 42.059 0.089 0.000 1.221 180 L HN 0.547 nan 8.230 nan 0.000 0.418 181 I N 5.709 126.428 120.570 0.248 0.000 2.418 181 I HA 0.467 4.638 4.170 0.001 0.000 0.287 181 I C -0.569 175.705 176.117 0.261 0.000 1.008 181 I CA -0.168 61.304 61.300 0.287 0.000 1.104 181 I CB 1.465 39.703 38.000 0.395 0.000 1.264 181 I HN 0.637 nan 8.210 nan 0.000 0.438 182 N N 5.918 124.793 118.700 0.291 0.000 2.480 182 N HA 0.747 5.487 4.740 0.001 0.000 0.289 182 N C -1.774 173.980 175.510 0.406 0.000 1.073 182 N CA -0.279 52.969 53.050 0.330 0.000 0.885 182 N CB 2.030 40.688 38.487 0.285 0.000 1.421 182 N HN 0.605 nan 8.380 nan 0.000 0.503 183 A N 2.909 125.944 122.820 0.358 0.000 2.371 183 A HA 0.740 5.060 4.320 0.001 0.000 0.311 183 A C -1.051 176.719 177.584 0.310 0.000 1.068 183 A CA -0.473 51.740 52.037 0.293 0.000 0.744 183 A CB 1.485 20.639 19.000 0.255 0.000 1.239 183 A HN 0.317 nan 8.150 nan 0.000 0.435 184 V N 1.494 121.604 119.914 0.326 0.000 2.841 184 V HA 0.561 4.681 4.120 0.001 0.000 0.310 184 V C -1.163 175.204 176.094 0.456 0.000 1.090 184 V CA -0.594 61.955 62.300 0.416 0.000 0.930 184 V CB 1.742 33.883 31.823 0.531 0.000 1.014 184 V HN 0.926 nan 8.190 nan 0.000 0.425 185 Y N 3.795 124.278 120.300 0.306 0.000 2.462 185 Y HA 0.804 5.354 4.550 0.001 0.000 0.346 185 Y C -1.679 174.397 175.900 0.293 0.000 0.976 185 Y CA -1.321 56.927 58.100 0.247 0.000 1.044 185 Y CB 2.162 40.676 38.460 0.089 0.000 1.230 185 Y HN 0.639 nan 8.280 nan 0.000 0.455 186 F N 6.871 126.424 119.950 -0.661 0.000 2.588 186 F HA 0.497 5.025 4.527 0.001 0.000 0.318 186 F C -1.767 173.595 175.800 -0.729 0.000 1.155 186 F CA -0.677 57.031 58.000 -0.486 0.000 0.967 186 F CB 1.320 40.096 39.000 -0.372 0.000 1.236 186 F HN 0.441 nan 8.300 nan 0.000 0.455 187 K N 5.106 124.858 120.400 -1.080 0.000 2.723 187 K HA 0.409 4.729 4.320 0.001 0.000 0.229 187 K C -0.718 175.326 176.600 -0.926 0.000 1.022 187 K CA -0.298 55.516 56.287 -0.789 0.000 1.045 187 K CB 1.190 33.504 32.500 -0.309 0.000 1.227 187 K HN 0.902 nan 8.250 nan 0.000 0.516 188 G N 2.301 110.364 108.800 -1.228 0.000 2.476 188 G HA2 0.201 4.161 3.960 0.001 0.000 0.286 188 G HA3 0.201 4.161 3.960 0.001 0.000 0.286 188 G C -0.401 174.254 174.900 -0.408 0.000 1.177 188 G CA -0.488 44.006 45.100 -1.009 0.000 0.870 188 G HN 0.501 nan 8.290 nan 0.000 0.528 189 N N -0.044 118.588 118.700 -0.114 0.000 2.434 189 N HA 0.217 4.957 4.740 0.001 0.000 0.272 189 N C -0.342 175.315 175.510 0.246 0.000 1.040 189 N CA -0.334 52.730 53.050 0.024 0.000 0.956 189 N CB 0.611 39.130 38.487 0.053 0.000 1.108 189 N HN 0.535 nan 8.380 nan 0.000 0.481 190 W N 2.014 123.464 121.300 0.250 0.000 2.148 190 W HA 0.086 4.746 4.660 0.001 0.000 0.347 190 W C 1.865 178.424 176.519 0.066 0.000 1.288 190 W CA -0.568 56.828 57.345 0.084 0.000 1.252 190 W CB 0.849 30.312 29.460 0.005 0.000 1.156 190 W HN 0.451 nan 8.180 nan 0.000 0.580 191 K N 1.044 121.638 120.400 0.323 0.000 1.973 191 K HA -0.136 4.184 4.320 0.001 0.000 0.210 191 K C 0.892 177.541 176.600 0.082 0.000 1.045 191 K CA 1.087 57.474 56.287 0.167 0.000 0.937 191 K CB -0.445 32.125 32.500 0.117 0.000 0.721 191 K HN 0.319 nan 8.250 nan 0.000 0.438 192 S N 1.936 117.641 115.700 0.009 0.000 2.400 192 S HA 0.072 4.542 4.470 0.001 0.000 0.295 192 S C -0.718 173.801 174.600 -0.135 0.000 1.113 192 S CA -0.770 57.373 58.200 -0.094 0.000 1.064 192 S CB 0.527 63.601 63.200 -0.210 0.000 0.990 192 S HN 0.237 nan 8.310 nan 0.000 0.502 193 Q N 3.793 123.566 119.800 -0.044 0.000 2.394 193 Q HA 0.453 4.794 4.340 0.001 0.000 0.248 193 Q C -0.924 174.982 176.000 -0.158 0.000 0.992 193 Q CA -0.203 55.614 55.803 0.022 0.000 0.888 193 Q CB 0.186 28.998 28.738 0.124 0.000 1.257 193 Q HN 0.595 nan 8.270 nan 0.000 0.462 194 F N 0.460 120.423 119.950 0.023 0.000 2.396 194 F HA 0.318 4.846 4.527 0.001 0.000 0.343 194 F C 0.623 176.430 175.800 0.011 0.000 1.104 194 F CA -0.819 57.156 58.000 -0.042 0.000 1.161 194 F CB 0.894 39.856 39.000 -0.063 0.000 1.146 194 F HN 0.284 nan 8.300 nan 0.000 0.522 195 R N 4.140 124.736 120.500 0.161 0.000 2.370 195 R HA 0.105 4.445 4.340 0.001 0.000 0.309 195 R C -1.918 174.464 176.300 0.135 0.000 1.059 195 R CA -1.332 54.840 56.100 0.121 0.000 0.981 195 R CB 0.091 30.442 30.300 0.086 0.000 0.972 195 R HN 0.362 nan 8.270 nan 0.000 0.437 196 P HA -0.207 nan 4.420 nan 0.000 0.218 196 P C 0.139 177.491 177.300 0.087 0.000 1.148 196 P CA 1.259 64.417 63.100 0.097 0.000 0.822 196 P CB 0.206 31.953 31.700 0.079 0.000 0.784 197 E N -1.432 118.817 120.200 0.081 0.000 2.510 197 E HA -0.109 4.241 4.350 0.001 0.000 0.202 197 E C 1.384 178.038 176.600 0.090 0.000 1.072 197 E CA 0.591 57.035 56.400 0.074 0.000 0.883 197 E CB -0.716 29.021 29.700 0.062 0.000 0.818 197 E HN 0.293 nan 8.360 nan 0.000 0.548 198 N N 0.123 118.893 118.700 0.116 0.000 2.273 198 N HA 0.023 4.763 4.740 0.001 0.000 0.192 198 N C -0.274 175.328 175.510 0.153 0.000 1.132 198 N CA 0.274 53.415 53.050 0.152 0.000 0.887 198 N CB 0.731 39.350 38.487 0.220 0.000 1.048 198 N HN 0.012 nan 8.380 nan 0.000 0.490 199 T N 2.994 117.620 114.554 0.121 0.000 2.817 199 T HA 0.180 4.531 4.350 0.001 0.000 0.295 199 T C 0.545 175.327 174.700 0.136 0.000 0.958 199 T CA 0.238 62.400 62.100 0.103 0.000 1.157 199 T CB 0.380 69.285 68.868 0.062 0.000 0.898 199 T HN 0.284 nan 8.240 nan 0.000 0.536 200 R N 1.444 122.073 120.500 0.215 0.000 2.905 200 R HA 0.679 5.019 4.340 0.001 0.000 0.260 200 R C -0.701 175.783 176.300 0.307 0.000 1.086 200 R CA -1.107 55.127 56.100 0.224 0.000 0.978 200 R CB 0.461 30.880 30.300 0.198 0.000 1.215 200 R HN 0.271 nan 8.270 nan 0.000 0.480 201 T N 1.260 115.907 114.554 0.155 0.000 2.884 201 T HA 0.374 4.724 4.350 0.001 0.000 0.298 201 T C -1.027 173.725 174.700 0.088 0.000 0.998 201 T CA 0.440 62.621 62.100 0.135 0.000 1.124 201 T CB -0.018 68.868 68.868 0.031 0.000 0.931 201 T HN 0.218 nan 8.240 nan 0.000 0.531 202 F N 0.514 120.508 119.950 0.073 0.000 2.613 202 F HA 0.404 4.931 4.527 0.001 0.000 0.314 202 F C 0.326 176.184 175.800 0.097 0.000 1.075 202 F CA -1.017 57.030 58.000 0.079 0.000 0.945 202 F CB 1.927 40.986 39.000 0.099 0.000 1.310 202 F HN 0.315 nan 8.300 nan 0.000 0.467 203 S N 2.410 118.257 115.700 0.244 0.000 2.411 203 S HA 0.293 4.764 4.470 0.001 0.000 0.294 203 S C -0.832 173.917 174.600 0.249 0.000 1.115 203 S CA -0.333 57.983 58.200 0.193 0.000 1.071 203 S CB -0.187 63.072 63.200 0.098 0.000 0.967 203 S HN 0.426 nan 8.310 nan 0.000 0.488 204 F N 3.710 123.733 119.950 0.122 0.000 2.404 204 F HA 0.304 4.831 4.527 0.001 0.000 0.358 204 F C 0.403 176.262 175.800 0.098 0.000 1.120 204 F CA -0.272 57.796 58.000 0.113 0.000 1.144 204 F CB 0.555 39.613 39.000 0.096 0.000 1.133 204 F HN 0.302 nan 8.300 nan 0.000 0.495 205 T N 6.983 121.413 114.554 -0.208 0.000 2.743 205 T HA 0.235 4.585 4.350 0.001 0.000 0.293 205 T C 0.022 174.627 174.700 -0.158 0.000 0.945 205 T CA -0.636 61.405 62.100 -0.098 0.000 1.030 205 T CB 0.625 69.434 68.868 -0.099 0.000 0.912 205 T HN 0.539 nan 8.240 nan 0.000 0.483 206 K N 2.004 122.454 120.400 0.084 0.000 2.120 206 K HA 0.158 4.478 4.320 0.001 0.000 0.245 206 K C 0.595 177.229 176.600 0.057 0.000 1.024 206 K CA -0.784 55.592 56.287 0.149 0.000 0.906 206 K CB 0.486 33.124 32.500 0.230 0.000 1.051 206 K HN 0.401 nan 8.250 nan 0.000 0.491 207 D N 1.120 121.555 120.400 0.059 0.000 2.269 207 D HA -0.134 4.507 4.640 0.001 0.000 0.208 207 D C 1.082 177.405 176.300 0.038 0.000 0.963 207 D CA 1.049 55.072 54.000 0.038 0.000 0.864 207 D CB 0.008 40.829 40.800 0.036 0.000 0.936 207 D HN 0.553 nan 8.370 nan 0.000 0.505 208 D N 0.302 120.737 120.400 0.058 0.000 2.336 208 D HA -0.100 4.540 4.640 0.001 0.000 0.229 208 D C 0.249 176.578 176.300 0.049 0.000 1.061 208 D CA 0.359 54.394 54.000 0.058 0.000 0.875 208 D CB 0.050 40.899 40.800 0.082 0.000 0.904 208 D HN 0.197 nan 8.370 nan 0.000 0.525 209 E N -0.868 119.357 120.200 0.041 0.000 4.129 209 E HA -0.189 4.161 4.350 0.001 0.000 0.354 209 E C 0.011 176.635 176.600 0.041 0.000 0.673 209 E CA 0.815 57.231 56.400 0.026 0.000 1.347 209 E CB -1.741 27.968 29.700 0.015 0.000 1.722 209 E HN 0.509 nan 8.360 nan 0.000 0.410 210 S N 0.585 116.325 115.700 0.067 0.000 2.593 210 S HA 0.369 4.840 4.470 0.001 0.000 0.269 210 S C 0.008 174.666 174.600 0.098 0.000 1.334 210 S CA -0.371 57.875 58.200 0.076 0.000 1.015 210 S CB 1.624 64.878 63.200 0.089 0.000 0.912 210 S HN 0.213 nan 8.310 nan 0.000 0.541 211 E N 0.233 120.489 120.200 0.092 0.000 2.222 211 E HA 0.562 4.912 4.350 0.001 0.000 0.267 211 E C -1.008 175.668 176.600 0.126 0.000 0.884 211 E CA -1.017 55.451 56.400 0.114 0.000 0.764 211 E CB 2.063 31.808 29.700 0.075 0.000 1.169 211 E HN 0.678 nan 8.360 nan 0.000 0.413 212 V N 0.102 120.125 119.914 0.180 0.000 2.735 212 V HA 0.449 4.569 4.120 0.001 0.000 0.310 212 V C -0.741 175.442 176.094 0.148 0.000 1.061 212 V CA -1.061 61.319 62.300 0.135 0.000 0.913 212 V CB 1.939 33.829 31.823 0.112 0.000 1.005 212 V HN 0.507 nan 8.190 nan 0.000 0.428 213 Q N 4.168 124.027 119.800 0.098 0.000 2.267 213 Q HA 0.674 5.015 4.340 0.001 0.000 0.255 213 Q C -0.530 175.530 176.000 0.099 0.000 0.923 213 Q CA -0.085 55.781 55.803 0.104 0.000 0.925 213 Q CB 1.766 30.542 28.738 0.064 0.000 1.195 213 Q HN 0.967 nan 8.270 nan 0.000 0.417 214 I N -1.761 118.891 120.570 0.137 0.000 2.994 214 I HA 0.539 4.710 4.170 0.001 0.000 0.306 214 I C -2.849 173.356 176.117 0.147 0.000 1.195 214 I CA -3.041 58.325 61.300 0.110 0.000 1.001 214 I CB 1.963 40.002 38.000 0.066 0.000 1.244 214 I HN 0.186 nan 8.210 nan 0.000 0.437 215 P HA 0.339 nan 4.420 nan 0.000 0.274 215 P C -0.842 176.525 177.300 0.112 0.000 1.291 215 P CA 0.025 63.195 63.100 0.117 0.000 0.815 215 P CB 0.467 32.212 31.700 0.076 0.000 0.897 216 M N 5.532 125.234 119.600 0.171 0.000 2.063 216 M HA 0.333 4.814 4.480 0.001 0.000 0.348 216 M C -0.590 175.701 176.300 -0.014 0.000 1.180 216 M CA -0.213 55.117 55.300 0.051 0.000 1.059 216 M CB 0.096 32.658 32.600 -0.064 0.000 1.544 216 M HN 0.212 nan 8.290 nan 0.000 0.447 217 M N 4.138 123.640 119.600 -0.163 0.000 2.291 217 M HA 0.405 4.885 4.480 0.001 0.000 0.324 217 M C -0.977 175.182 176.300 -0.235 0.000 1.148 217 M CA -0.407 54.731 55.300 -0.269 0.000 1.104 217 M CB 1.109 33.280 32.600 -0.715 0.000 1.483 217 M HN 0.679 nan 8.290 nan 0.000 0.467 218 Y N 0.872 121.061 120.300 -0.186 0.000 2.571 218 Y HA 0.566 5.116 4.550 0.001 0.000 0.341 218 Y C -1.503 174.467 175.900 0.116 0.000 1.076 218 Y CA -0.616 57.364 58.100 -0.201 0.000 1.029 218 Y CB 1.694 39.849 38.460 -0.507 0.000 1.308 218 Y HN 0.776 nan 8.280 nan 0.000 0.461 219 Q N 3.206 122.256 119.800 -1.249 0.000 2.776 219 Q HA 0.284 4.625 4.340 0.001 0.000 0.289 219 Q C -2.349 172.988 176.000 -1.104 0.000 0.912 219 Q CA -1.172 53.928 55.803 -1.172 0.000 0.789 219 Q CB 1.904 30.279 28.738 -0.606 0.000 1.498 219 Q HN 0.751 nan 8.270 nan 0.000 0.408 220 Q N 0.872 120.299 119.800 -0.621 0.000 2.327 220 Q HA 0.687 5.027 4.340 0.001 0.000 0.270 220 Q C -1.303 174.576 176.000 -0.203 0.000 1.022 220 Q CA -0.195 55.424 55.803 -0.307 0.000 0.773 220 Q CB 1.685 30.334 28.738 -0.149 0.000 1.251 220 Q HN 0.858 nan 8.270 nan 0.000 0.457 221 G N 2.607 111.373 108.800 -0.057 0.000 3.021 221 G HA2 0.388 4.348 3.960 0.001 0.000 0.290 221 G HA3 0.388 4.348 3.960 0.001 0.000 0.290 221 G C -1.348 173.277 174.900 -0.458 0.000 1.291 221 G CA -0.613 44.294 45.100 -0.322 0.000 0.834 221 G HN 0.578 nan 8.290 nan 0.000 0.564 222 E N -0.016 119.708 120.200 -0.793 0.000 2.113 222 E HA 0.528 4.878 4.350 0.001 0.000 0.273 222 E C -1.504 174.586 176.600 -0.850 0.000 0.924 222 E CA -0.136 55.901 56.400 -0.605 0.000 0.764 222 E CB 1.693 31.126 29.700 -0.445 0.000 1.104 222 E HN 0.238 nan 8.360 nan 0.000 0.406 223 F N 0.769 120.591 119.950 -0.213 0.000 2.613 223 F HA 0.343 4.871 4.527 0.001 0.000 0.314 223 F C -0.452 175.289 175.800 -0.098 0.000 1.075 223 F CA -1.099 56.827 58.000 -0.124 0.000 0.945 223 F CB 1.072 40.008 39.000 -0.107 0.000 1.310 223 F HN 0.341 nan 8.300 nan 0.000 0.467 224 Y N 1.558 121.980 120.300 0.204 0.000 2.402 224 Y HA 0.301 4.851 4.550 0.001 0.000 0.333 224 Y C -0.461 175.576 175.900 0.228 0.000 1.076 224 Y CA 0.116 58.318 58.100 0.169 0.000 1.299 224 Y CB 0.373 38.906 38.460 0.123 0.000 1.197 224 Y HN 0.488 nan 8.280 nan 0.000 0.517 225 Y N 1.418 121.824 120.300 0.177 0.000 2.588 225 Y HA 0.825 5.375 4.550 0.001 0.000 0.343 225 Y C -0.693 175.275 175.900 0.113 0.000 1.065 225 Y CA -1.299 56.869 58.100 0.114 0.000 1.038 225 Y CB 2.373 40.868 38.460 0.057 0.000 1.297 225 Y HN 0.618 nan 8.280 nan 0.000 0.467 226 G N 3.386 111.678 108.800 -0.847 0.000 2.716 226 G HA2 0.399 4.359 3.960 0.001 0.000 0.299 226 G HA3 0.399 4.359 3.960 0.001 0.000 0.299 226 G C -2.165 172.316 174.900 -0.697 0.000 1.450 226 G CA -0.962 43.773 45.100 -0.609 0.000 0.968 226 G HN 0.593 nan 8.290 nan 0.000 0.566 227 E N 0.627 120.395 120.200 -0.720 0.000 2.231 227 E HA 0.674 5.025 4.350 0.001 0.000 0.277 227 E C -0.934 175.243 176.600 -0.705 0.000 0.999 227 E CA -0.361 55.756 56.400 -0.471 0.000 0.827 227 E CB 1.878 31.421 29.700 -0.262 0.000 1.101 227 E HN 0.366 nan 8.360 nan 0.000 0.393 228 F N 0.042 119.656 119.950 -0.559 0.000 2.650 228 F HA 0.367 4.895 4.527 0.001 0.000 0.320 228 F C 0.180 175.709 175.800 -0.452 0.000 1.091 228 F CA -1.070 56.592 58.000 -0.563 0.000 0.962 228 F CB 1.893 40.433 39.000 -0.767 0.000 1.363 228 F HN 0.319 nan 8.300 nan 0.000 0.482 229 S N -0.611 115.140 115.700 0.085 0.000 2.482 229 S HA 0.288 4.759 4.470 0.001 0.000 0.303 229 S C -0.072 174.794 174.600 0.443 0.000 1.091 229 S CA -0.811 57.536 58.200 0.245 0.000 1.057 229 S CB 1.306 64.586 63.200 0.134 0.000 1.031 229 S HN 0.607 nan 8.310 nan 0.000 0.485 230 D N 2.259 122.927 120.400 0.448 0.000 2.403 230 D HA 0.084 4.725 4.640 0.001 0.000 0.227 230 D C 1.396 177.794 176.300 0.164 0.000 0.995 230 D CA 0.771 54.928 54.000 0.262 0.000 0.928 230 D CB -1.135 39.742 40.800 0.127 0.000 0.887 230 D HN 1.289 nan 8.370 nan 0.000 0.529 231 G N 0.210 109.106 108.800 0.159 0.000 2.323 231 G HA2 -0.334 3.627 3.960 0.001 0.000 0.292 231 G HA3 -0.334 3.627 3.960 0.001 0.000 0.292 231 G C 0.646 175.588 174.900 0.069 0.000 1.040 231 G CA 0.500 45.659 45.100 0.098 0.000 0.942 231 G HN 0.335 nan 8.290 nan 0.000 0.506 232 S N 0.513 116.256 115.700 0.071 0.000 2.851 232 S HA 0.062 4.533 4.470 0.001 0.000 0.227 232 S C 1.500 176.123 174.600 0.039 0.000 0.958 232 S CA 0.302 58.532 58.200 0.050 0.000 0.990 232 S CB -0.187 63.044 63.200 0.052 0.000 0.790 232 S HN 0.701 nan 8.310 nan 0.000 0.509 233 N N 2.235 120.958 118.700 0.038 0.000 2.628 233 N HA -0.198 4.543 4.740 0.001 0.000 0.247 233 N C -0.184 175.342 175.510 0.027 0.000 1.157 233 N CA 1.453 54.521 53.050 0.030 0.000 0.729 233 N CB -0.642 37.858 38.487 0.023 0.000 1.083 233 N HN 0.633 nan 8.380 nan 0.000 0.554 234 E N -2.910 117.310 120.200 0.034 0.000 3.086 234 E HA 0.365 4.715 4.350 0.001 0.000 0.312 234 E C -1.032 175.591 176.600 0.039 0.000 1.147 234 E CA 0.458 56.876 56.400 0.030 0.000 0.914 234 E CB 0.259 29.973 29.700 0.023 0.000 1.154 234 E HN 0.001 nan 8.360 nan 0.000 0.475 235 A N 2.207 125.052 122.820 0.040 0.000 1.806 235 A HA 0.500 4.820 4.320 0.001 0.000 0.193 235 A C 0.489 178.094 177.584 0.035 0.000 1.883 235 A CA 0.966 53.023 52.037 0.032 0.000 1.434 235 A CB 0.282 19.296 19.000 0.024 0.000 1.505 235 A HN 0.574 nan 8.150 nan 0.000 0.364 239 Y N 4.730 125.095 120.300 0.108 0.000 2.132 239 Y HA 0.377 4.927 4.550 0.001 0.000 0.315 239 Y C -2.289 173.684 175.900 0.121 0.000 1.344 239 Y CA -0.824 57.348 58.100 0.119 0.000 1.491 239 Y CB 0.220 38.758 38.460 0.132 0.000 1.284 239 Y HN 0.851 nan 8.280 nan 0.000 0.394 240 Q N 4.307 124.271 119.800 0.274 0.000 2.235 240 Q HA 0.845 5.186 4.340 0.001 0.000 0.256 240 Q C -1.176 174.832 176.000 0.014 0.000 0.951 240 Q CA -1.474 54.388 55.803 0.098 0.000 0.890 240 Q CB 3.255 32.109 28.738 0.194 0.000 1.279 240 Q HN 0.528 nan 8.270 nan 0.000 0.444 241 V N 3.153 122.991 119.914 -0.127 0.000 2.483 241 V HA 0.453 4.573 4.120 0.001 0.000 0.297 241 V C -1.094 174.960 176.094 -0.067 0.000 1.027 241 V CA -0.738 61.420 62.300 -0.236 0.000 0.855 241 V CB 1.668 33.166 31.823 -0.541 0.000 0.995 241 V HN 0.542 nan 8.190 nan 0.000 0.424 242 L N 4.033 125.245 121.223 -0.017 0.000 2.401 242 L HA 0.723 5.064 4.340 0.001 0.000 0.266 242 L C -0.614 176.273 176.870 0.028 0.000 0.991 242 L CA -0.186 54.700 54.840 0.076 0.000 0.818 242 L CB 2.131 44.213 42.059 0.038 0.000 1.321 242 L HN 0.800 nan 8.230 nan 0.000 0.413 243 E N 4.424 124.681 120.200 0.096 0.000 2.176 243 E HA 0.594 4.945 4.350 0.001 0.000 0.267 243 E C -1.547 175.114 176.600 0.103 0.000 0.893 243 E CA -0.515 55.950 56.400 0.109 0.000 0.761 243 E CB 1.294 31.099 29.700 0.175 0.000 1.133 243 E HN 0.658 nan 8.360 nan 0.000 0.409 244 I N 6.697 127.279 120.570 0.019 0.000 2.411 244 I HA 0.352 4.522 4.170 0.001 0.000 0.284 244 I C -2.261 173.907 176.117 0.084 0.000 1.012 244 I CA -2.400 58.871 61.300 -0.048 0.000 1.119 244 I CB 1.688 39.361 38.000 -0.545 0.000 1.261 244 I HN 0.369 nan 8.210 nan 0.000 0.448 245 P HA 0.188 nan 4.420 nan 0.000 0.279 245 P C -1.227 176.192 177.300 0.199 0.000 1.239 245 P CA -0.113 63.092 63.100 0.176 0.000 0.789 245 P CB 0.627 32.429 31.700 0.172 0.000 0.933 246 Y N -0.197 120.291 120.300 0.314 0.000 2.300 246 Y HA 0.162 4.713 4.550 0.001 0.000 0.328 246 Y C 1.581 177.596 175.900 0.190 0.000 1.270 246 Y CA -0.205 58.047 58.100 0.252 0.000 1.352 246 Y CB 0.323 38.862 38.460 0.132 0.000 1.286 246 Y HN 0.423 nan 8.280 nan 0.000 0.536 247 E N 0.571 120.985 120.200 0.356 0.000 2.608 247 E HA 0.158 4.508 4.350 0.001 0.000 0.259 247 E C 0.726 177.459 176.600 0.222 0.000 0.951 247 E CA 1.482 58.020 56.400 0.231 0.000 0.945 247 E CB -0.148 29.661 29.700 0.182 0.000 0.916 247 E HN 0.863 nan 8.360 nan 0.000 0.477 248 G N 4.212 113.110 108.800 0.163 0.000 2.159 248 G HA2 -0.273 3.687 3.960 0.001 0.000 0.227 248 G HA3 -0.273 3.687 3.960 0.001 0.000 0.227 248 G C 0.317 175.300 174.900 0.138 0.000 0.986 248 G CA 0.036 45.222 45.100 0.144 0.000 0.651 248 G HN 0.804 nan 8.290 nan 0.000 0.523 249 D N -0.790 119.697 120.400 0.144 0.000 3.028 249 D HA -0.171 4.470 4.640 0.001 0.000 0.211 249 D C 1.521 177.891 176.300 0.116 0.000 1.136 249 D CA 1.841 55.915 54.000 0.123 0.000 0.987 249 D CB -0.491 40.363 40.800 0.090 0.000 1.128 249 D HN 0.664 nan 8.370 nan 0.000 0.406 250 E N -0.383 119.898 120.200 0.135 0.000 2.022 250 E HA 0.019 4.369 4.350 0.001 0.000 0.190 250 E C 1.317 177.972 176.600 0.092 0.000 0.973 250 E CA 0.318 56.782 56.400 0.106 0.000 0.816 250 E CB 0.322 30.099 29.700 0.127 0.000 0.781 250 E HN 0.294 nan 8.360 nan 0.000 0.456 251 I N 1.729 122.360 120.570 0.101 0.000 2.532 251 I HA 0.124 4.294 4.170 0.001 0.000 0.292 251 I C 0.512 176.843 176.117 0.356 0.000 1.014 251 I CA -0.204 61.160 61.300 0.106 0.000 1.340 251 I CB 0.978 38.895 38.000 -0.140 0.000 1.422 251 I HN -0.025 nan 8.210 nan 0.000 0.528 252 S N 5.237 121.131 115.700 0.323 0.000 2.537 252 S HA 0.619 5.089 4.470 0.001 0.000 0.270 252 S C -0.758 174.010 174.600 0.280 0.000 1.142 252 S CA -0.964 57.406 58.200 0.283 0.000 0.870 252 S CB 2.095 65.395 63.200 0.166 0.000 1.112 252 S HN 0.584 nan 8.310 nan 0.000 0.466 253 M N 3.076 122.826 119.600 0.251 0.000 2.216 253 M HA 0.588 5.069 4.480 0.001 0.000 0.356 253 M C -0.855 175.542 176.300 0.163 0.000 1.205 253 M CA -0.384 55.072 55.300 0.260 0.000 1.122 253 M CB 1.008 33.816 32.600 0.346 0.000 1.571 253 M HN 0.911 nan 8.290 nan 0.000 0.464 254 M N 6.581 126.283 119.600 0.171 0.000 2.046 254 M HA 0.459 4.939 4.480 0.001 0.000 0.309 254 M C -2.001 174.370 176.300 0.118 0.000 0.935 254 M CA -0.507 54.859 55.300 0.109 0.000 0.915 254 M CB 0.785 33.451 32.600 0.110 0.000 1.474 254 M HN 0.705 nan 8.290 nan 0.000 0.415 255 L N 4.708 125.961 121.223 0.050 0.000 2.399 255 L HA 0.673 5.014 4.340 0.001 0.000 0.266 255 L C -0.698 176.162 176.870 -0.016 0.000 1.114 255 L CA -0.959 53.922 54.840 0.068 0.000 0.804 255 L CB 1.496 43.513 42.059 -0.070 0.000 1.146 255 L HN 0.398 nan 8.230 nan 0.000 0.451 256 V N 3.587 123.560 119.914 0.098 0.000 2.525 256 V HA 0.473 4.594 4.120 0.001 0.000 0.299 256 V C -0.778 175.393 176.094 0.128 0.000 1.034 256 V CA -0.438 61.859 62.300 -0.005 0.000 0.863 256 V CB 2.114 33.900 31.823 -0.063 0.000 0.999 256 V HN 0.441 nan 8.190 nan 0.000 0.423 257 L N 5.273 126.560 121.223 0.107 0.000 2.436 257 L HA 0.764 5.104 4.340 0.001 0.000 0.268 257 L C 0.355 177.336 176.870 0.185 0.000 0.974 257 L CA 0.218 55.117 54.840 0.098 0.000 0.826 257 L CB 2.444 44.511 42.059 0.012 0.000 1.291 257 L HN 0.773 nan 8.230 nan 0.000 0.406 258 S N 4.204 120.033 115.700 0.215 0.000 2.652 258 S HA 0.579 5.050 4.470 0.001 0.000 0.267 258 S C 0.323 175.112 174.600 0.314 0.000 1.201 258 S CA -0.717 57.642 58.200 0.264 0.000 0.996 258 S CB 0.623 63.950 63.200 0.212 0.000 1.054 258 S HN 0.667 nan 8.310 nan 0.000 0.561 259 R N 1.273 121.886 120.500 0.188 0.000 2.641 259 R HA 0.073 4.414 4.340 0.001 0.000 0.269 259 R C 1.972 178.222 176.300 -0.083 0.000 1.074 259 R CA -0.306 55.843 56.100 0.083 0.000 1.133 259 R CB 0.449 30.784 30.300 0.057 0.000 1.029 259 R HN 0.877 nan 8.270 nan 0.000 0.488 260 Q N 1.845 121.522 119.800 -0.206 0.000 2.047 260 Q HA -0.265 4.075 4.340 0.001 0.000 0.211 260 Q C 0.688 176.459 176.000 -0.382 0.000 1.005 260 Q CA 1.964 57.478 55.803 -0.481 0.000 0.866 260 Q CB -0.228 28.346 28.738 -0.273 0.000 0.938 260 Q HN 0.502 nan 8.270 nan 0.000 0.414 261 E N 0.104 120.196 120.200 -0.180 0.000 2.472 261 E HA 0.106 4.456 4.350 0.001 0.000 0.200 261 E C -0.347 176.209 176.600 -0.074 0.000 1.046 261 E CA 0.102 56.436 56.400 -0.111 0.000 0.871 261 E CB 0.167 29.829 29.700 -0.063 0.000 0.806 261 E HN 0.218 nan 8.360 nan 0.000 0.533 262 V N 2.866 122.742 119.914 -0.064 0.000 2.417 262 V HA 0.265 4.385 4.120 0.001 0.000 0.291 262 V C -2.295 173.819 176.094 0.033 0.000 1.024 262 V CA -2.090 60.209 62.300 -0.002 0.000 0.861 262 V CB 1.824 33.663 31.823 0.027 0.000 0.985 262 V HN -0.017 nan 8.190 nan 0.000 0.436 263 P HA 0.045 nan 4.420 nan 0.000 0.268 263 P C 0.777 178.118 177.300 0.068 0.000 1.204 263 P CA -0.197 62.937 63.100 0.056 0.000 0.768 263 P CB 1.083 32.802 31.700 0.031 0.000 0.842 264 L N 4.092 125.371 121.223 0.092 0.000 2.129 264 L HA -0.224 4.116 4.340 0.001 0.000 0.212 264 L C 2.299 179.198 176.870 0.049 0.000 1.087 264 L CA 2.410 57.297 54.840 0.078 0.000 0.757 264 L CB -1.432 40.684 42.059 0.096 0.000 0.896 264 L HN 0.462 nan 8.230 nan 0.000 0.434 265 A N -1.435 121.410 122.820 0.042 0.000 1.948 265 A HA -0.274 4.046 4.320 0.001 0.000 0.220 265 A C 2.297 179.886 177.584 0.008 0.000 1.177 265 A CA 2.439 54.493 52.037 0.027 0.000 0.636 265 A CB -1.311 17.700 19.000 0.018 0.000 0.815 265 A HN 0.546 nan 8.150 nan 0.000 0.449 266 T N 0.296 114.852 114.554 0.003 0.000 2.684 266 T HA -0.128 4.223 4.350 0.001 0.000 0.267 266 T C 1.739 176.411 174.700 -0.047 0.000 1.036 266 T CA 1.635 63.728 62.100 -0.013 0.000 1.148 266 T CB -0.339 68.526 68.868 -0.005 0.000 0.863 266 T HN 0.420 nan 8.240 nan 0.000 0.436 267 L N 0.318 121.493 121.223 -0.082 0.000 2.179 267 L HA 0.024 4.365 4.340 0.001 0.000 0.208 267 L C 2.631 179.408 176.870 -0.156 0.000 1.096 267 L CA 1.037 55.767 54.840 -0.183 0.000 0.779 267 L CB -0.569 41.314 42.059 -0.293 0.000 0.922 267 L HN 0.325 nan 8.230 nan 0.000 0.443 268 E N 0.418 120.572 120.200 -0.078 0.000 2.070 268 E HA -0.231 4.120 4.350 0.001 0.000 0.197 268 E C -0.520 176.061 176.600 -0.033 0.000 1.004 268 E CA 1.375 57.756 56.400 -0.031 0.000 0.805 268 E CB -1.006 28.767 29.700 0.121 0.000 0.744 268 E HN 0.393 nan 8.360 nan 0.000 0.451 269 P HA -0.216 nan 4.420 nan 0.000 0.218 269 P C 1.161 178.424 177.300 -0.061 0.000 1.154 269 P CA 1.351 64.433 63.100 -0.030 0.000 0.872 269 P CB -0.083 31.600 31.700 -0.029 0.000 0.790 270 L N -1.991 119.175 121.223 -0.095 0.000 2.456 270 L HA -0.055 4.285 4.340 0.001 0.000 0.224 270 L C 0.635 177.392 176.870 -0.188 0.000 1.148 270 L CA 0.187 54.955 54.840 -0.119 0.000 0.825 270 L CB -0.800 41.192 42.059 -0.110 0.000 0.937 270 L HN -0.178 nan 8.230 nan 0.000 0.450 271 V N 1.846 121.638 119.914 -0.203 0.000 2.434 271 V HA -0.034 4.087 4.120 0.001 0.000 0.281 271 V C 0.125 176.108 176.094 -0.184 0.000 1.005 271 V CA 0.764 62.902 62.300 -0.270 0.000 1.089 271 V CB 0.026 31.676 31.823 -0.289 0.000 0.978 271 V HN 0.279 nan 8.190 nan 0.000 0.474 272 K N 3.113 123.365 120.400 -0.247 0.000 2.482 272 K HA 0.696 5.017 4.320 0.001 0.000 0.257 272 K C 1.002 177.498 176.600 -0.173 0.000 0.969 272 K CA -0.142 56.047 56.287 -0.164 0.000 0.842 272 K CB 1.762 34.173 32.500 -0.148 0.000 1.359 272 K HN 0.403 nan 8.250 nan 0.000 0.441 273 A N 0.957 123.719 122.820 -0.096 0.000 1.927 273 A HA -0.255 4.065 4.320 0.001 0.000 0.220 273 A C 1.766 179.283 177.584 -0.110 0.000 1.185 273 A CA 1.887 53.880 52.037 -0.074 0.000 0.639 273 A CB -0.362 18.616 19.000 -0.037 0.000 0.820 273 A HN 0.746 nan 8.150 nan 0.000 0.451 274 Q N -1.657 118.064 119.800 -0.132 0.000 2.356 274 Q HA 0.180 4.520 4.340 0.001 0.000 0.205 274 Q C 1.652 177.514 176.000 -0.229 0.000 0.901 274 Q CA 0.083 55.804 55.803 -0.136 0.000 0.938 274 Q CB 0.099 28.784 28.738 -0.090 0.000 1.081 274 Q HN 0.566 nan 8.270 nan 0.000 0.517 275 L N -0.472 120.536 121.223 -0.360 0.000 2.072 275 L HA -0.080 4.261 4.340 0.001 0.000 0.205 275 L C 1.890 178.217 176.870 -0.904 0.000 1.079 275 L CA 1.303 55.765 54.840 -0.629 0.000 0.752 275 L CB -0.510 41.093 42.059 -0.761 0.000 0.906 275 L HN -0.005 nan 8.230 nan 0.000 0.436 276 V N -0.014 119.486 119.914 -0.690 0.000 2.252 276 V HA -0.332 3.788 4.120 0.001 0.000 0.249 276 V C 2.703 178.725 176.094 -0.121 0.000 1.056 276 V CA 2.026 64.129 62.300 -0.329 0.000 1.022 276 V CB -0.620 31.172 31.823 -0.051 0.000 0.641 276 V HN 0.512 nan 8.190 nan 0.000 0.445 277 E N 0.275 120.401 120.200 -0.122 0.000 2.086 277 E HA -0.286 4.064 4.350 0.001 0.000 0.200 277 E C 2.202 178.789 176.600 -0.020 0.000 1.012 277 E CA 2.144 58.518 56.400 -0.043 0.000 0.812 277 E CB -0.363 29.308 29.700 -0.048 0.000 0.743 277 E HN 0.726 nan 8.360 nan 0.000 0.453 278 E N -1.035 119.106 120.200 -0.098 0.000 2.051 278 E HA -0.207 4.144 4.350 0.001 0.000 0.192 278 E C 1.810 178.496 176.600 0.143 0.000 0.991 278 E CA 1.415 57.807 56.400 -0.014 0.000 0.799 278 E CB -0.318 29.331 29.700 -0.086 0.000 0.748 278 E HN 0.333 nan 8.360 nan 0.000 0.449 279 W N 0.667 121.933 121.300 -0.057 0.000 2.315 279 W HA -0.161 4.499 4.660 0.001 0.000 0.323 279 W C 2.663 179.217 176.519 0.058 0.000 1.233 279 W CA 1.288 58.566 57.345 -0.110 0.000 1.267 279 W CB -1.449 27.864 29.460 -0.245 0.000 1.160 279 W HN 0.291 nan 8.180 nan 0.000 0.474 280 A N 0.852 123.840 122.820 0.279 0.000 1.927 280 A HA -0.283 4.038 4.320 0.001 0.000 0.220 280 A C 1.882 179.539 177.584 0.121 0.000 1.185 280 A CA 2.374 54.506 52.037 0.158 0.000 0.639 280 A CB -0.949 18.111 19.000 0.101 0.000 0.820 280 A HN 0.380 nan 8.150 nan 0.000 0.451 281 N N -0.270 118.510 118.700 0.134 0.000 2.290 281 N HA -0.029 4.711 4.740 0.001 0.000 0.179 281 N C 1.697 177.300 175.510 0.154 0.000 1.016 281 N CA 1.423 54.540 53.050 0.112 0.000 0.871 281 N CB -0.480 38.059 38.487 0.087 0.000 0.987 281 N HN 0.411 nan 8.380 nan 0.000 0.431 282 S N 0.757 116.599 115.700 0.237 0.000 2.489 282 S HA 0.024 4.494 4.470 0.001 0.000 0.228 282 S C 1.151 175.875 174.600 0.206 0.000 0.995 282 S CA -0.102 58.237 58.200 0.232 0.000 0.934 282 S CB -0.121 63.285 63.200 0.344 0.000 0.771 282 S HN 0.286 nan 8.310 nan 0.000 0.522 283 V N 0.723 120.806 119.914 0.282 0.000 2.834 283 V HA 0.584 4.704 4.120 0.001 0.000 0.301 283 V C -0.358 175.928 176.094 0.320 0.000 1.066 283 V CA -0.772 61.683 62.300 0.258 0.000 1.052 283 V CB 1.130 33.127 31.823 0.289 0.000 1.021 283 V HN 0.147 nan 8.190 nan 0.000 0.480 284 K N 2.557 123.122 120.400 0.276 0.000 2.427 284 K HA 0.461 4.781 4.320 0.001 0.000 0.252 284 K C -0.624 175.959 176.600 -0.029 0.000 0.931 284 K CA -0.793 55.612 56.287 0.196 0.000 0.793 284 K CB 1.977 34.529 32.500 0.088 0.000 1.211 284 K HN 0.894 nan 8.250 nan 0.000 0.426 285 K N 3.405 123.505 120.400 -0.500 0.000 2.368 285 K HA 0.056 4.376 4.320 0.001 0.000 0.282 285 K C -1.110 175.305 176.600 -0.309 0.000 1.035 285 K CA 0.361 56.186 56.287 -0.769 0.000 0.973 285 K CB 0.493 32.297 32.500 -1.160 0.000 0.957 285 K HN 0.728 nan 8.250 nan 0.000 0.474 286 Q N 2.321 121.992 119.800 -0.216 0.000 2.647 286 Q HA 0.213 4.553 4.340 0.001 0.000 0.283 286 Q C -1.465 174.433 176.000 -0.170 0.000 0.943 286 Q CA -1.225 54.493 55.803 -0.140 0.000 0.813 286 Q CB 0.601 29.316 28.738 -0.039 0.000 1.477 286 Q HN 0.300 nan 8.270 nan 0.000 0.393 287 K N 1.249 121.516 120.400 -0.223 0.000 2.419 287 K HA 0.325 4.645 4.320 0.001 0.000 0.282 287 K C -0.961 175.424 176.600 -0.359 0.000 1.056 287 K CA 0.189 56.229 56.287 -0.412 0.000 1.035 287 K CB 0.595 32.637 32.500 -0.763 0.000 0.921 287 K HN 0.371 nan 8.250 nan 0.000 0.472 288 V N 3.063 122.832 119.914 -0.242 0.000 3.040 288 V HA 0.236 4.356 4.120 0.001 0.000 0.312 288 V C -0.666 175.364 176.094 -0.107 0.000 1.115 288 V CA -1.002 61.202 62.300 -0.160 0.000 0.998 288 V CB 2.299 34.033 31.823 -0.148 0.000 1.042 288 V HN 0.625 nan 8.190 nan 0.000 0.433 289 E N 2.003 122.172 120.200 -0.052 0.000 2.113 289 E HA 0.498 4.849 4.350 0.001 0.000 0.273 289 E C -1.342 175.280 176.600 0.037 0.000 0.924 289 E CA -0.315 56.125 56.400 0.066 0.000 0.764 289 E CB 2.095 31.975 29.700 0.300 0.000 1.104 289 E HN 0.364 nan 8.360 nan 0.000 0.406 290 V N 4.433 124.252 119.914 -0.159 0.000 2.378 290 V HA 0.304 4.424 4.120 0.001 0.000 0.288 290 V C -0.945 175.072 176.094 -0.128 0.000 1.016 290 V CA -0.777 61.407 62.300 -0.194 0.000 0.840 290 V CB 0.538 32.053 31.823 -0.514 0.000 0.994 290 V HN 0.540 nan 8.190 nan 0.000 0.431 291 Y N 5.455 125.687 120.300 -0.113 0.000 2.345 291 Y HA 0.703 5.253 4.550 0.001 0.000 0.331 291 Y C -0.308 175.442 175.900 -0.250 0.000 0.959 291 Y CA -0.670 57.342 58.100 -0.146 0.000 1.204 291 Y CB 1.862 40.179 38.460 -0.238 0.000 1.135 291 Y HN 0.527 nan 8.280 nan 0.000 0.477 292 L N 7.082 128.182 121.223 -0.205 0.000 2.410 292 L HA 0.687 5.027 4.340 0.001 0.000 0.270 292 L C -2.922 173.829 176.870 -0.199 0.000 0.983 292 L CA -2.607 52.077 54.840 -0.259 0.000 0.822 292 L CB 2.108 43.961 42.059 -0.344 0.000 1.285 292 L HN 0.233 nan 8.230 nan 0.000 0.409 293 P HA 0.183 nan 4.420 nan 0.000 0.271 293 P C -1.067 176.387 177.300 0.256 0.000 1.226 293 P CA -0.219 62.920 63.100 0.065 0.000 0.765 293 P CB 0.446 32.163 31.700 0.029 0.000 0.835 294 R N 4.456 125.009 120.500 0.087 0.000 2.538 294 R HA 0.319 4.660 4.340 0.001 0.000 0.282 294 R C -0.269 176.153 176.300 0.205 0.000 1.009 294 R CA 0.652 56.793 56.100 0.067 0.000 1.063 294 R CB -0.394 29.913 30.300 0.012 0.000 0.945 294 R HN 0.547 nan 8.270 nan 0.000 0.414 295 F N -1.074 118.840 119.950 -0.060 0.000 2.900 295 F HA 0.427 4.954 4.527 0.001 0.000 0.321 295 F C -1.739 173.984 175.800 -0.128 0.000 1.160 295 F CA -1.012 56.937 58.000 -0.086 0.000 0.890 295 F CB 1.539 40.483 39.000 -0.093 0.000 1.334 295 F HN 0.288 nan 8.300 nan 0.000 0.459 296 T N 1.445 115.973 114.554 -0.043 0.000 2.933 296 T HA 0.697 5.047 4.350 0.001 0.000 0.305 296 T C -1.906 172.698 174.700 -0.160 0.000 1.092 296 T CA -0.579 61.335 62.100 -0.311 0.000 1.008 296 T CB 2.092 70.775 68.868 -0.310 0.000 1.102 296 T HN 0.680 nan 8.240 nan 0.000 0.469 297 V N 3.543 123.254 119.914 -0.338 0.000 2.577 297 V HA 0.548 4.669 4.120 0.001 0.000 0.303 297 V C -0.495 175.427 176.094 -0.288 0.000 1.042 297 V CA -0.775 61.425 62.300 -0.168 0.000 0.872 297 V CB 2.040 33.892 31.823 0.048 0.000 0.998 297 V HN 0.856 nan 8.190 nan 0.000 0.423 298 E N 2.823 122.949 120.200 -0.123 0.000 2.256 298 E HA 0.708 5.058 4.350 0.001 0.000 0.267 298 E C -1.338 175.303 176.600 0.067 0.000 0.892 298 E CA -0.895 55.504 56.400 -0.002 0.000 0.775 298 E CB 2.417 32.183 29.700 0.110 0.000 1.207 298 E HN 0.391 nan 8.360 nan 0.000 0.420 299 Q N 1.637 121.493 119.800 0.094 0.000 2.315 299 Q HA 0.257 4.598 4.340 0.001 0.000 0.273 299 Q C -1.773 174.274 176.000 0.078 0.000 1.053 299 Q CA -0.480 55.383 55.803 0.100 0.000 0.817 299 Q CB 2.200 31.018 28.738 0.134 0.000 1.326 299 Q HN 0.574 nan 8.270 nan 0.000 0.423 300 E N 3.757 124.003 120.200 0.076 0.000 2.114 300 E HA 0.502 4.853 4.350 0.001 0.000 0.266 300 E C -0.577 176.066 176.600 0.070 0.000 0.896 300 E CA -0.399 56.040 56.400 0.066 0.000 0.750 300 E CB 0.574 30.314 29.700 0.067 0.000 1.121 300 E HN 0.599 nan 8.360 nan 0.000 0.413 301 I N 0.831 121.457 120.570 0.092 0.000 2.562 301 I HA 0.509 4.680 4.170 0.001 0.000 0.301 301 I C -0.401 175.764 176.117 0.081 0.000 1.003 301 I CA -1.170 60.181 61.300 0.085 0.000 1.127 301 I CB 1.780 39.844 38.000 0.107 0.000 1.304 301 I HN 0.318 nan 8.210 nan 0.000 0.446 302 D N 4.669 125.087 120.400 0.031 0.000 2.342 302 D HA 0.060 4.700 4.640 0.001 0.000 0.260 302 D C 0.638 176.943 176.300 0.009 0.000 1.278 302 D CA -0.267 53.736 54.000 0.006 0.000 0.910 302 D CB 1.058 41.832 40.800 -0.043 0.000 1.079 302 D HN 0.640 nan 8.370 nan 0.000 0.496 303 L N 4.511 125.770 121.223 0.059 0.000 2.362 303 L HA -0.039 4.301 4.340 0.001 0.000 0.219 303 L C 2.079 178.967 176.870 0.030 0.000 1.134 303 L CA 1.453 56.338 54.840 0.075 0.000 0.807 303 L CB -0.603 41.538 42.059 0.138 0.000 0.927 303 L HN 0.531 nan 8.230 nan 0.000 0.447 304 K N -0.450 119.909 120.400 -0.069 0.000 1.991 304 K HA -0.256 4.064 4.320 0.001 0.000 0.212 304 K C 1.961 178.370 176.600 -0.319 0.000 1.049 304 K CA 1.938 58.004 56.287 -0.369 0.000 0.932 304 K CB -0.475 31.606 32.500 -0.699 0.000 0.717 304 K HN 0.455 nan 8.250 nan 0.000 0.441 305 D N 0.282 120.546 120.400 -0.227 0.000 2.104 305 D HA -0.157 4.484 4.640 0.001 0.000 0.194 305 D C 1.945 178.183 176.300 -0.103 0.000 0.994 305 D CA 1.500 55.404 54.000 -0.160 0.000 0.830 305 D CB 0.034 40.760 40.800 -0.125 0.000 0.959 305 D HN 0.127 nan 8.370 nan 0.000 0.452 306 V N 1.323 121.186 119.914 -0.085 0.000 2.255 306 V HA -0.255 3.866 4.120 0.001 0.000 0.247 306 V C 2.921 178.992 176.094 -0.038 0.000 1.051 306 V CA 1.373 63.624 62.300 -0.082 0.000 1.018 306 V CB -0.629 31.129 31.823 -0.110 0.000 0.641 306 V HN 0.271 nan 8.190 nan 0.000 0.445 307 L N -0.559 120.672 121.223 0.014 0.000 2.079 307 L HA -0.237 4.103 4.340 0.001 0.000 0.210 307 L C 2.623 179.555 176.870 0.102 0.000 1.081 307 L CA 1.765 56.661 54.840 0.093 0.000 0.752 307 L CB -0.599 41.599 42.059 0.231 0.000 0.896 307 L HN 0.323 nan 8.230 nan 0.000 0.433 308 K N -0.158 120.276 120.400 0.057 0.000 2.147 308 K HA -0.122 4.198 4.320 0.001 0.000 0.205 308 K C 2.095 178.706 176.600 0.019 0.000 1.049 308 K CA 1.236 57.549 56.287 0.044 0.000 0.936 308 K CB -0.215 32.258 32.500 -0.045 0.000 0.722 308 K HN 0.290 nan 8.250 nan 0.000 0.446 309 A N 0.970 123.786 122.820 -0.008 0.000 2.121 309 A HA -0.050 4.270 4.320 0.001 0.000 0.218 309 A C 1.799 179.386 177.584 0.006 0.000 1.154 309 A CA 0.950 52.980 52.037 -0.012 0.000 0.679 309 A CB -0.344 18.635 19.000 -0.036 0.000 0.795 309 A HN 0.171 nan 8.150 nan 0.000 0.458 310 L N -1.826 119.410 121.223 0.022 0.000 2.592 310 L HA 0.229 4.569 4.340 0.001 0.000 0.227 310 L C 1.723 178.628 176.870 0.058 0.000 1.127 310 L CA 0.587 55.448 54.840 0.036 0.000 0.884 310 L CB 0.015 42.096 42.059 0.036 0.000 1.065 310 L HN 0.544 nan 8.230 nan 0.000 0.457 311 G N 0.540 109.374 108.800 0.056 0.000 2.195 311 G HA2 -0.250 3.710 3.960 0.001 0.000 0.224 311 G HA3 -0.250 3.710 3.960 0.001 0.000 0.224 311 G C 0.294 175.234 174.900 0.068 0.000 0.990 311 G CA -0.451 44.684 45.100 0.057 0.000 0.639 311 G HN 0.219 nan 8.290 nan 0.000 0.514 312 I N 2.738 123.363 120.570 0.092 0.000 2.406 312 I HA 0.354 4.525 4.170 0.001 0.000 0.293 312 I C 1.593 177.825 176.117 0.191 0.000 1.101 312 I CA 1.071 62.435 61.300 0.107 0.000 1.334 312 I CB 1.005 39.068 38.000 0.105 0.000 1.421 312 I HN 0.342 nan 8.210 nan 0.000 0.513 313 T N -0.273 114.376 114.554 0.159 0.000 3.051 313 T HA 0.124 4.475 4.350 0.001 0.000 0.254 313 T C 1.194 176.010 174.700 0.194 0.000 0.916 313 T CA -0.282 61.963 62.100 0.242 0.000 0.894 313 T CB 0.092 69.038 68.868 0.131 0.000 1.251 313 T HN 0.436 nan 8.240 nan 0.000 0.517 314 E N 1.564 121.805 120.200 0.069 0.000 2.051 314 E HA -0.051 4.299 4.350 0.001 0.000 0.192 314 E C 1.995 178.587 176.600 -0.014 0.000 0.991 314 E CA 1.725 58.139 56.400 0.023 0.000 0.799 314 E CB -0.453 29.243 29.700 -0.006 0.000 0.748 314 E HN 0.740 nan 8.360 nan 0.000 0.449 315 I N -1.245 119.243 120.570 -0.137 0.000 2.623 315 I HA -0.224 3.946 4.170 0.001 0.000 0.261 315 I C 1.533 177.532 176.117 -0.198 0.000 1.204 315 I CA 1.442 62.594 61.300 -0.247 0.000 1.444 315 I CB -0.508 37.222 38.000 -0.449 0.000 1.094 315 I HN -0.069 nan 8.210 nan 0.000 0.451 316 F N 1.050 121.067 119.950 0.112 0.000 2.765 316 F HA 0.339 4.866 4.527 0.001 0.000 0.302 316 F C 1.001 176.953 175.800 0.252 0.000 1.111 316 F CA -0.135 57.971 58.000 0.176 0.000 1.359 316 F CB -0.086 38.969 39.000 0.092 0.000 1.097 316 F HN -0.058 nan 8.300 nan 0.000 0.577 317 I N -0.461 120.242 120.570 0.221 0.000 2.750 317 I HA 0.208 4.379 4.170 0.001 0.000 0.308 317 I C 1.436 177.304 176.117 -0.415 0.000 1.016 317 I CA -1.198 60.068 61.300 -0.057 0.000 1.098 317 I CB 1.405 39.381 38.000 -0.039 0.000 1.279 317 I HN -0.177 nan 8.210 nan 0.000 0.454 318 K N 2.079 122.031 120.400 -0.747 0.000 2.032 318 K HA -0.213 4.107 4.320 0.001 0.000 0.218 318 K C 0.952 177.339 176.600 -0.355 0.000 1.054 318 K CA 2.181 57.984 56.287 -0.806 0.000 0.941 318 K CB -0.308 31.909 32.500 -0.471 0.000 0.720 318 K HN 0.751 nan 8.250 nan 0.000 0.449 319 D N 0.079 120.355 120.400 -0.207 0.000 2.338 319 D HA 0.033 4.673 4.640 0.001 0.000 0.239 319 D C 0.292 176.550 176.300 -0.070 0.000 1.095 319 D CA 0.006 53.941 54.000 -0.109 0.000 0.888 319 D CB -0.489 40.263 40.800 -0.080 0.000 0.899 319 D HN 0.052 nan 8.370 nan 0.000 0.525 320 A N 0.841 123.623 122.820 -0.064 0.000 2.547 320 A HA 0.062 4.382 4.320 0.001 0.000 0.233 320 A C 0.496 178.066 177.584 -0.023 0.000 1.067 320 A CA -0.149 51.873 52.037 -0.025 0.000 0.763 320 A CB 0.018 19.028 19.000 0.016 0.000 1.007 320 A HN 0.224 nan 8.150 nan 0.000 0.506 321 N N 1.782 120.467 118.700 -0.026 0.000 3.044 321 N HA 0.270 5.011 4.740 0.001 0.000 0.254 321 N C -0.420 175.069 175.510 -0.035 0.000 1.253 321 N CA -0.150 52.885 53.050 -0.025 0.000 0.944 321 N CB -0.025 38.451 38.487 -0.018 0.000 1.217 321 N HN 0.546 nan 8.380 nan 0.000 0.498 322 L N 1.542 122.734 121.223 -0.053 0.000 2.791 322 L HA 0.097 4.437 4.340 0.001 0.000 0.239 322 L C 1.701 178.507 176.870 -0.105 0.000 1.203 322 L CA 0.119 54.903 54.840 -0.093 0.000 1.002 322 L CB -0.312 41.669 42.059 -0.131 0.000 1.295 322 L HN 0.450 nan 8.230 nan 0.000 0.504 323 T N -3.838 110.682 114.554 -0.058 0.000 2.946 323 T HA -0.148 4.202 4.350 0.001 0.000 0.271 323 T C 1.898 176.572 174.700 -0.043 0.000 1.104 323 T CA 1.150 63.225 62.100 -0.041 0.000 1.114 323 T CB -0.261 68.599 68.868 -0.014 0.000 0.867 323 T HN 0.433 nan 8.240 nan 0.000 0.513 324 G N 1.896 110.667 108.800 -0.050 0.000 2.408 324 G HA2 0.004 3.964 3.960 0.001 0.000 0.217 324 G HA3 0.004 3.964 3.960 0.001 0.000 0.217 324 G C 1.436 176.275 174.900 -0.101 0.000 1.150 324 G CA 1.015 46.108 45.100 -0.011 0.000 0.776 324 G HN 0.655 nan 8.290 nan 0.000 0.542 325 L N 0.025 121.014 121.223 -0.390 0.000 2.249 325 L HA 0.417 4.758 4.340 0.001 0.000 0.207 325 L C 0.791 177.477 176.870 -0.308 0.000 1.090 325 L CA 1.248 55.596 54.840 -0.821 0.000 0.802 325 L CB 0.072 41.184 42.059 -1.578 0.000 0.947 325 L HN 0.254 nan 8.230 nan 0.000 0.453 326 S N -1.901 113.702 115.700 -0.162 0.000 2.565 326 S HA 0.422 4.893 4.470 0.001 0.000 0.269 326 S C -1.072 173.536 174.600 0.013 0.000 1.153 326 S CA -0.680 57.508 58.200 -0.020 0.000 0.835 326 S CB 1.043 64.261 63.200 0.031 0.000 1.122 326 S HN 0.092 nan 8.310 nan 0.000 0.462 327 D N 2.025 122.457 120.400 0.054 0.000 3.168 327 D HA 0.331 4.971 4.640 0.001 0.000 0.255 327 D C -0.495 175.847 176.300 0.070 0.000 1.314 327 D CA 0.114 54.141 54.000 0.046 0.000 0.900 327 D CB -0.058 40.763 40.800 0.033 0.000 1.072 327 D HN 0.485 nan 8.370 nan 0.000 0.487 328 N N 0.830 119.590 118.700 0.099 0.000 2.321 328 N HA 0.119 4.859 4.740 0.001 0.000 0.299 328 N C 0.919 176.483 175.510 0.089 0.000 1.048 328 N CA -0.414 52.721 53.050 0.140 0.000 0.836 328 N CB 1.672 40.363 38.487 0.340 0.000 1.269 328 N HN -0.146 nan 8.380 nan 0.000 0.486 329 K N 1.039 121.479 120.400 0.067 0.000 2.013 329 K HA -0.216 4.104 4.320 0.001 0.000 0.225 329 K C 0.274 176.882 176.600 0.013 0.000 1.056 329 K CA 2.067 58.371 56.287 0.030 0.000 0.971 329 K CB 0.189 32.701 32.500 0.020 0.000 0.731 329 K HN 0.675 nan 8.250 nan 0.000 0.450 330 E N -2.538 117.667 120.200 0.008 0.000 1.187 330 E HA 0.063 4.414 4.350 0.001 0.000 0.208 330 E C -0.295 176.282 176.600 -0.038 0.000 1.023 330 E CA 0.080 56.482 56.400 0.005 0.000 0.949 330 E CB -0.090 29.644 29.700 0.057 0.000 4.811 330 E HN 0.129 nan 8.360 nan 0.000 0.630 331 I N 2.290 122.809 120.570 -0.086 0.000 2.662 331 I HA 0.296 4.467 4.170 0.001 0.000 0.291 331 I C 0.366 176.587 176.117 0.173 0.000 1.046 331 I CA -0.188 60.995 61.300 -0.195 0.000 1.361 331 I CB 0.450 38.206 38.000 -0.406 0.000 1.429 331 I HN -0.000 nan 8.210 nan 0.000 0.558 332 F N 3.485 123.368 119.950 -0.112 0.000 2.831 332 F HA 0.510 5.037 4.527 0.001 0.000 0.318 332 F C -1.559 174.214 175.800 -0.045 0.000 1.174 332 F CA -1.369 56.592 58.000 -0.065 0.000 0.918 332 F CB 0.846 39.840 39.000 -0.009 0.000 1.364 332 F HN 0.104 nan 8.300 nan 0.000 0.475 333 L N 1.676 122.867 121.223 -0.054 0.000 2.305 333 L HA 0.480 4.821 4.340 0.001 0.000 0.281 333 L C 0.611 177.438 176.870 -0.070 0.000 1.085 333 L CA 0.673 55.431 54.840 -0.137 0.000 0.813 333 L CB 1.311 43.235 42.059 -0.225 0.000 1.157 333 L HN 0.856 nan 8.230 nan 0.000 0.436 334 S N 2.899 118.504 115.700 -0.158 0.000 2.613 334 S HA 0.371 4.841 4.470 0.001 0.000 0.235 334 S C 0.125 174.687 174.600 -0.063 0.000 1.073 334 S CA 0.024 58.106 58.200 -0.196 0.000 0.899 334 S CB 0.220 63.155 63.200 -0.442 0.000 0.818 334 S HN 0.550 nan 8.310 nan 0.000 0.484 335 K N 1.514 121.906 120.400 -0.013 0.000 2.535 335 K HA 0.627 4.947 4.320 0.001 0.000 0.250 335 K C -1.611 175.060 176.600 0.118 0.000 0.948 335 K CA -0.226 56.067 56.287 0.010 0.000 0.796 335 K CB 1.647 34.103 32.500 -0.072 0.000 1.216 335 K HN 0.166 nan 8.250 nan 0.000 0.432 336 A N 4.600 127.506 122.820 0.143 0.000 2.311 336 A HA 0.742 5.063 4.320 0.001 0.000 0.306 336 A C -0.659 177.007 177.584 0.137 0.000 1.189 336 A CA -0.661 51.484 52.037 0.180 0.000 0.791 336 A CB 0.211 19.377 19.000 0.277 0.000 1.172 336 A HN 0.633 nan 8.150 nan 0.000 0.481 337 I N 2.304 122.971 120.570 0.162 0.000 2.436 337 I HA 0.368 4.538 4.170 0.001 0.000 0.289 337 I C -0.379 175.887 176.117 0.249 0.000 1.010 337 I CA -0.497 60.903 61.300 0.165 0.000 1.098 337 I CB 1.980 40.065 38.000 0.142 0.000 1.266 337 I HN 0.811 nan 8.210 nan 0.000 0.434 338 H N 5.690 124.838 119.070 0.130 0.000 2.569 338 H HA 0.717 5.273 4.556 0.001 0.000 0.357 338 H C -1.168 174.266 175.328 0.176 0.000 1.153 338 H CA -0.981 55.164 56.048 0.162 0.000 1.193 338 H CB 1.703 31.562 29.762 0.162 0.000 1.602 338 H HN 0.519 nan 8.280 nan 0.000 0.523 339 K N 2.460 122.642 120.400 -0.364 0.000 2.553 339 K HA 0.550 4.871 4.320 0.001 0.000 0.250 339 K C -1.768 174.692 176.600 -0.233 0.000 0.953 339 K CA -0.487 55.678 56.287 -0.203 0.000 0.800 339 K CB 1.465 33.986 32.500 0.035 0.000 1.243 339 K HN 0.524 nan 8.250 nan 0.000 0.435 340 S N 3.661 119.309 115.700 -0.086 0.000 2.526 340 S HA 0.607 5.077 4.470 0.001 0.000 0.293 340 S C -1.772 172.941 174.600 0.188 0.000 1.092 340 S CA -0.624 57.658 58.200 0.136 0.000 0.980 340 S CB 0.674 64.038 63.200 0.274 0.000 1.048 340 S HN 0.531 nan 8.310 nan 0.000 0.483 341 F N 3.608 123.565 119.950 0.012 0.000 2.553 341 F HA 0.614 5.142 4.527 0.001 0.000 0.335 341 F C -1.423 174.185 175.800 -0.320 0.000 1.148 341 F CA -0.874 57.090 58.000 -0.061 0.000 0.963 341 F CB 0.714 39.770 39.000 0.093 0.000 1.217 341 F HN 0.429 nan 8.300 nan 0.000 0.441 342 L N 5.626 126.490 121.223 -0.600 0.000 2.322 342 L HA 0.548 4.889 4.340 0.001 0.000 0.279 342 L C -0.956 175.494 176.870 -0.700 0.000 1.036 342 L CA -0.237 54.236 54.840 -0.612 0.000 0.807 342 L CB 1.632 43.375 42.059 -0.528 0.000 1.226 342 L HN 0.713 nan 8.230 nan 0.000 0.433 343 E N 3.449 123.327 120.200 -0.536 0.000 2.218 343 E HA 0.600 4.950 4.350 0.001 0.000 0.263 343 E C -1.920 174.409 176.600 -0.452 0.000 0.879 343 E CA -0.626 55.515 56.400 -0.432 0.000 0.762 343 E CB 1.827 31.466 29.700 -0.102 0.000 1.166 343 E HN 0.489 nan 8.360 nan 0.000 0.415 344 V N 4.787 124.350 119.914 -0.585 0.000 2.604 344 V HA 0.527 4.648 4.120 0.001 0.000 0.305 344 V C -0.257 175.697 176.094 -0.233 0.000 1.043 344 V CA -0.635 61.395 62.300 -0.450 0.000 0.888 344 V CB 1.643 33.035 31.823 -0.719 0.000 0.995 344 V HN 0.884 nan 8.190 nan 0.000 0.429 345 N N 2.593 121.283 118.700 -0.016 0.000 3.588 345 N HA 0.276 5.017 4.740 0.001 0.000 0.340 345 N C 0.219 175.879 175.510 0.249 0.000 1.609 345 N CA -0.716 52.366 53.050 0.053 0.000 0.811 345 N CB 0.853 39.348 38.487 0.014 0.000 2.184 345 N HN 0.244 nan 8.380 nan 0.000 0.577 346 E N -0.147 120.174 120.200 0.202 0.000 2.285 346 E HA 0.073 4.423 4.350 0.001 0.000 0.194 346 E C -0.505 176.352 176.600 0.429 0.000 0.997 346 E CA 0.557 57.173 56.400 0.360 0.000 0.845 346 E CB -0.096 29.736 29.700 0.220 0.000 0.782 346 E HN 0.506 nan 8.360 nan 0.000 0.491 347 E N 0.199 120.552 120.200 0.255 0.000 2.465 347 E HA 0.297 4.647 4.350 0.001 0.000 0.260 347 E C 0.255 176.981 176.600 0.210 0.000 0.980 347 E CA 0.343 56.845 56.400 0.170 0.000 0.927 347 E CB 0.733 30.472 29.700 0.065 0.000 0.934 347 E HN 0.241 nan 8.360 nan 0.000 0.459 348 G N 1.491 110.399 108.800 0.181 0.000 2.435 348 G HA2 0.218 4.178 3.960 0.001 0.000 0.296 348 G HA3 0.218 4.178 3.960 0.001 0.000 0.296 348 G C -1.113 173.855 174.900 0.114 0.000 1.240 348 G CA -0.522 44.687 45.100 0.182 0.000 0.872 348 G HN 0.425 nan 8.290 nan 0.000 0.480 349 S N -1.099 114.661 115.700 0.100 0.000 2.713 349 S HA 0.604 5.075 4.470 0.001 0.000 0.283 349 S C 0.114 174.731 174.600 0.028 0.000 1.161 349 S CA -0.297 57.936 58.200 0.056 0.000 0.999 349 S CB 1.446 64.675 63.200 0.049 0.000 1.039 349 S HN 0.554 nan 8.310 nan 0.000 0.548 350 E N -0.207 120.000 120.200 0.011 0.000 2.351 350 E HA 0.565 4.915 4.350 0.001 0.000 0.255 350 E C 0.413 176.993 176.600 -0.033 0.000 1.188 350 E CA 0.084 56.479 56.400 -0.009 0.000 0.940 350 E CB 1.008 30.705 29.700 -0.004 0.000 1.094 350 E HN 0.629 nan 8.360 nan 0.000 0.474 351 A N 1.246 124.037 122.820 -0.048 0.000 2.417 351 A HA 0.761 5.081 4.320 0.001 0.000 0.224 351 A C 0.264 177.810 177.584 -0.064 0.000 2.273 351 A CA 0.990 52.982 52.037 -0.074 0.000 1.018 351 A CB -0.225 18.715 19.000 -0.101 0.000 1.400 351 A HN 0.830 nan 8.150 nan 0.000 0.580 352 A N -2.923 119.863 122.820 -0.057 0.000 3.646 352 A HA 0.608 4.928 4.320 0.001 0.000 0.227 352 A C -0.107 177.450 177.584 -0.046 0.000 1.075 352 A CA 0.487 52.496 52.037 -0.046 0.000 0.712 352 A CB -1.279 17.691 19.000 -0.051 0.000 1.678 352 A HN 2.671 nan 8.150 nan 0.000 0.848 353 A N -2.655 120.140 122.820 -0.042 0.000 2.171 353 A HA 0.659 4.979 4.320 0.001 0.000 0.472 353 A C 1.214 178.784 177.584 -0.024 0.000 0.500 353 A CA 0.294 52.311 52.037 -0.034 0.000 0.421 353 A CB -1.818 17.167 19.000 -0.025 0.000 2.548 353 A HN 2.781 nan 8.150 nan 0.000 0.423 354 V N 0.103 120.006 119.914 -0.020 0.000 2.024 354 V HA -0.365 3.756 4.120 0.001 0.000 0.181 354 V C 1.965 178.043 176.094 -0.026 0.000 1.236 354 V CA 1.907 64.195 62.300 -0.019 0.000 2.022 354 V CB -1.855 29.954 31.823 -0.024 0.000 1.043 354 V HN 2.408 nan 8.190 nan 0.000 0.356 355 S N 0.650 116.328 115.700 -0.036 0.000 2.481 355 S HA -0.128 4.342 4.470 0.001 0.000 0.253 355 S C 2.013 176.606 174.600 -0.012 0.000 0.998 355 S CA 2.327 60.507 58.200 -0.034 0.000 0.972 355 S CB -1.461 61.712 63.200 -0.046 0.000 0.751 355 S HN 2.181 nan 8.310 nan 0.000 0.515 356 G N 1.180 109.979 108.800 -0.002 0.000 3.230 356 G HA2 -0.496 3.465 3.960 0.001 0.000 0.229 356 G HA3 -0.496 3.465 3.960 0.001 0.000 0.229 356 G C 1.076 175.981 174.900 0.009 0.000 1.302 356 G CA 1.572 46.675 45.100 0.004 0.000 1.195 356 G HN 0.569 nan 8.290 nan 0.000 0.646 357 M N -0.253 119.351 119.600 0.007 0.000 2.399 357 M HA -0.077 4.403 4.480 0.001 0.000 0.263 357 M C 2.315 178.625 176.300 0.017 0.000 1.067 357 M CA 1.663 56.968 55.300 0.008 0.000 1.084 357 M CB -1.131 31.472 32.600 0.006 0.000 1.252 357 M HN 0.285 nan 8.290 nan 0.000 0.454 358 I N 0.128 120.718 120.570 0.033 0.000 3.174 358 I HA -0.250 3.921 4.170 0.001 0.000 0.072 358 I C 2.267 178.404 176.117 0.033 0.000 0.940 358 I CA 1.524 62.850 61.300 0.044 0.000 1.261 358 I CB -1.291 36.766 38.000 0.095 0.000 1.103 358 I HN 0.655 nan 8.210 nan 0.000 0.473 359 A N -0.322 122.524 122.820 0.044 0.000 1.344 359 A HA -0.344 3.976 4.320 0.001 0.000 0.222 359 A C 1.874 179.477 177.584 0.031 0.000 0.364 359 A CA 2.148 54.214 52.037 0.048 0.000 1.096 359 A CB -2.023 17.009 19.000 0.053 0.000 1.468 359 A HN 0.531 nan 8.150 nan 0.000 0.722 360 I N 0.001 120.583 120.570 0.020 0.000 2.139 360 I HA -0.362 3.809 4.170 0.001 0.000 0.211 360 I C 2.564 178.687 176.117 0.010 0.000 1.000 360 I CA 2.672 63.979 61.300 0.012 0.000 1.327 360 I CB -0.497 37.508 38.000 0.008 0.000 1.052 360 I HN 0.893 nan 8.210 nan 0.000 0.385 361 S N 0.192 115.896 115.700 0.007 0.000 2.681 361 S HA -0.427 4.043 4.470 0.001 0.000 0.335 361 S C 1.229 175.832 174.600 0.005 0.000 1.346 361 S CA 1.765 59.968 58.200 0.005 0.000 1.104 361 S CB -0.832 62.370 63.200 0.003 0.000 0.931 361 S HN 0.545 nan 8.310 nan 0.000 0.469 362 R N -0.736 119.770 120.500 0.010 0.000 3.418 362 R HA -0.157 4.184 4.340 0.001 0.000 0.274 362 R C 0.573 176.875 176.300 0.002 0.000 1.108 362 R CA 1.015 57.121 56.100 0.009 0.000 0.741 362 R CB -1.794 28.510 30.300 0.007 0.000 1.223 362 R HN 0.593 nan 8.270 nan 0.000 0.434 363 M N -0.338 119.261 119.600 -0.002 0.000 2.206 363 M HA 0.159 4.639 4.480 0.001 0.000 0.249 363 M C 0.478 176.764 176.300 -0.024 0.000 1.125 363 M CA 2.104 57.397 55.300 -0.011 0.000 1.166 363 M CB 0.127 32.718 32.600 -0.015 0.000 1.266 363 M HN 0.402 nan 8.290 nan 0.000 0.445 364 A N 0.608 123.402 122.820 -0.044 0.000 0.895 364 A HA 0.389 4.709 4.320 0.001 0.000 0.184 364 A C -0.749 176.777 177.584 -0.097 0.000 1.103 364 A CA -0.370 51.634 52.037 -0.056 0.000 0.872 364 A CB -0.991 17.986 19.000 -0.039 0.000 0.421 364 A HN 0.434 nan 8.150 nan 0.000 0.445 365 V N -0.049 119.773 119.914 -0.153 0.000 3.167 365 V HA 0.935 5.056 4.120 0.001 0.000 0.310 365 V C -0.762 175.172 176.094 -0.268 0.000 1.207 365 V CA -1.144 61.005 62.300 -0.253 0.000 1.059 365 V CB 2.252 33.813 31.823 -0.435 0.000 1.079 365 V HN 1.399 nan 8.190 nan 0.000 0.446 366 L N 2.406 123.459 121.223 -0.283 0.000 2.388 366 L HA 0.569 4.909 4.340 0.001 0.000 0.267 366 L C -1.401 175.354 176.870 -0.192 0.000 0.995 366 L CA -0.249 54.482 54.840 -0.181 0.000 0.864 366 L CB 1.067 43.077 42.059 -0.083 0.000 1.216 366 L HN 0.915 nan 8.230 nan 0.000 0.430 367 Y N 4.590 124.892 120.300 0.003 0.000 2.299 367 Y HA 0.424 4.974 4.550 0.001 0.000 0.335 367 Y C -1.684 174.200 175.900 -0.026 0.000 1.287 367 Y CA -1.932 56.158 58.100 -0.016 0.000 1.424 367 Y CB -0.203 38.246 38.460 -0.018 0.000 1.326 367 Y HN 0.504 nan 8.280 nan 0.000 0.567 368 P HA 0.210 nan 4.420 nan 0.000 0.276 368 P C -1.678 175.587 177.300 -0.059 0.000 1.244 368 P CA -0.689 62.405 63.100 -0.011 0.000 0.801 368 P CB 0.665 32.314 31.700 -0.085 0.000 1.006 369 Q N -0.075 119.691 119.800 -0.057 0.000 2.323 369 Q HA 0.562 4.902 4.340 0.001 0.000 0.271 369 Q C -1.266 174.707 176.000 -0.045 0.000 1.048 369 Q CA -1.092 54.704 55.803 -0.012 0.000 0.792 369 Q CB 2.051 30.816 28.738 0.045 0.000 1.280 369 Q HN 0.067 nan 8.270 nan 0.000 0.441 370 V N 4.081 123.969 119.914 -0.043 0.000 2.333 370 V HA 0.370 4.490 4.120 0.001 0.000 0.274 370 V C -0.319 175.782 176.094 0.012 0.000 1.028 370 V CA -0.366 61.929 62.300 -0.008 0.000 0.851 370 V CB 0.646 32.452 31.823 -0.028 0.000 1.000 370 V HN 0.683 nan 8.190 nan 0.000 0.456 371 I N 5.529 126.069 120.570 -0.050 0.000 2.388 371 I HA 0.247 4.417 4.170 0.001 0.000 0.281 371 I C 0.076 176.140 176.117 -0.089 0.000 1.046 371 I CA -0.572 60.651 61.300 -0.127 0.000 1.187 371 I CB 1.630 39.433 38.000 -0.328 0.000 1.351 371 I HN 0.299 nan 8.210 nan 0.000 0.472 372 V N 5.936 125.778 119.914 -0.121 0.000 2.180 372 V HA -0.021 4.100 4.120 0.001 0.000 0.238 372 V C 0.993 177.065 176.094 -0.038 0.000 1.337 372 V CA 0.202 62.388 62.300 -0.189 0.000 1.338 372 V CB -0.762 30.795 31.823 -0.443 0.000 1.431 372 V HN 0.793 nan 8.190 nan 0.000 0.498 373 D N 2.245 122.644 120.400 -0.002 0.000 2.440 373 D HA 0.052 4.693 4.640 0.001 0.000 0.216 373 D C 0.423 176.478 176.300 -0.408 0.000 1.150 373 D CA -0.097 53.905 54.000 0.004 0.000 0.832 373 D CB 0.455 41.272 40.800 0.028 0.000 0.992 373 D HN 0.640 nan 8.370 nan 0.000 0.502 374 H N -2.160 116.556 119.070 -0.591 0.000 3.008 374 H HA 0.481 5.037 4.556 0.001 0.000 0.354 374 H C -3.323 171.877 175.328 -0.213 0.000 1.252 374 H CA -1.949 53.532 56.048 -0.945 0.000 1.117 374 H CB 0.044 29.545 29.762 -0.435 0.000 1.857 374 H HN -0.337 nan 8.280 nan 0.000 0.547 375 P HA 0.012 nan 4.420 nan 0.000 0.263 375 P C -0.649 176.687 177.300 0.060 0.000 1.175 375 P CA 0.744 63.945 63.100 0.168 0.000 0.761 375 P CB -0.047 31.706 31.700 0.088 0.000 0.794 376 F N 1.294 121.252 119.950 0.014 0.000 2.691 376 F HA 0.779 5.306 4.527 0.001 0.000 0.334 376 F C -1.155 174.746 175.800 0.167 0.000 1.107 376 F CA -1.545 56.468 58.000 0.021 0.000 0.991 376 F CB 1.010 39.991 39.000 -0.032 0.000 1.400 376 F HN 0.151 nan 8.300 nan 0.000 0.503 377 F N 2.164 122.253 119.950 0.231 0.000 2.532 377 F HA 0.753 5.280 4.527 0.001 0.000 0.321 377 F C -1.481 174.467 175.800 0.246 0.000 1.089 377 F CA -1.470 56.587 58.000 0.096 0.000 0.926 377 F CB 1.720 40.716 39.000 -0.005 0.000 1.168 377 F HN 0.575 nan 8.300 nan 0.000 0.459 378 F N 4.350 123.879 119.950 -0.702 0.000 2.643 378 F HA 0.856 5.384 4.527 0.001 0.000 0.314 378 F C -2.425 173.043 175.800 -0.554 0.000 1.096 378 F CA -1.543 56.249 58.000 -0.348 0.000 0.953 378 F CB 1.546 40.561 39.000 0.026 0.000 1.345 378 F HN 0.380 nan 8.300 nan 0.000 0.468 379 L N 3.145 124.373 121.223 0.008 0.000 2.436 379 L HA 0.543 4.884 4.340 0.001 0.000 0.268 379 L C -0.956 176.030 176.870 0.195 0.000 0.974 379 L CA -0.766 54.064 54.840 -0.017 0.000 0.826 379 L CB 2.302 44.386 42.059 0.043 0.000 1.291 379 L HN 0.628 nan 8.230 nan 0.000 0.406 380 I N 4.067 124.734 120.570 0.162 0.000 2.331 380 I HA 0.517 4.688 4.170 0.001 0.000 0.292 380 I C -0.042 176.059 176.117 -0.027 0.000 0.998 380 I CA -0.395 60.950 61.300 0.076 0.000 1.267 380 I CB 1.133 39.090 38.000 -0.072 0.000 1.386 380 I HN 0.710 nan 8.210 nan 0.000 0.476 381 R N 4.020 124.516 120.500 -0.006 0.000 2.752 381 R HA 0.413 4.754 4.340 0.001 0.000 0.271 381 R C -1.385 174.905 176.300 -0.017 0.000 1.026 381 R CA -0.967 55.112 56.100 -0.036 0.000 0.901 381 R CB 1.334 31.637 30.300 0.005 0.000 1.243 381 R HN 0.411 nan 8.270 nan 0.000 0.463 382 N N 1.026 119.708 118.700 -0.030 0.000 2.485 382 N HA 0.163 4.903 4.740 0.001 0.000 0.243 382 N C 0.196 175.714 175.510 0.013 0.000 0.987 382 N CA -0.194 52.852 53.050 -0.007 0.000 0.940 382 N CB 1.150 39.626 38.487 -0.018 0.000 1.122 382 N HN 0.631 nan 8.380 nan 0.000 0.509 383 R N 1.779 122.294 120.500 0.024 0.000 2.276 383 R HA -0.127 4.213 4.340 0.001 0.000 0.243 383 R C 1.420 177.722 176.300 0.004 0.000 1.161 383 R CA 1.595 57.699 56.100 0.007 0.000 1.007 383 R CB 0.281 30.578 30.300 -0.006 0.000 0.867 383 R HN 0.533 nan 8.270 nan 0.000 0.472 384 R N -1.204 119.305 120.500 0.016 0.000 2.087 384 R HA 0.014 4.355 4.340 0.001 0.000 0.213 384 R C 2.466 178.779 176.300 0.022 0.000 1.137 384 R CA 1.528 57.638 56.100 0.018 0.000 1.022 384 R CB -0.418 29.897 30.300 0.024 0.000 0.920 384 R HN 0.317 nan 8.270 nan 0.000 0.451 385 T N -1.148 113.420 114.554 0.024 0.000 2.674 385 T HA -0.062 4.288 4.350 0.001 0.000 0.265 385 T C 1.262 175.990 174.700 0.047 0.000 1.039 385 T CA 1.282 63.400 62.100 0.031 0.000 1.150 385 T CB -0.318 68.570 68.868 0.033 0.000 0.864 385 T HN 0.279 nan 8.240 nan 0.000 0.427 386 G N 2.113 110.941 108.800 0.046 0.000 3.378 386 G HA2 0.483 4.444 3.960 0.001 0.000 0.332 386 G HA3 0.483 4.444 3.960 0.001 0.000 0.332 386 G C -0.535 174.366 174.900 0.002 0.000 1.490 386 G CA -0.752 44.360 45.100 0.020 0.000 1.068 386 G HN 0.330 nan 8.290 nan 0.000 0.492 387 T N 3.715 118.245 114.554 -0.040 0.000 2.867 387 T HA 0.171 4.521 4.350 0.001 0.000 0.297 387 T C 1.008 175.622 174.700 -0.144 0.000 0.989 387 T CA 0.032 62.045 62.100 -0.145 0.000 1.159 387 T CB 0.443 69.091 68.868 -0.367 0.000 0.928 387 T HN 0.785 nan 8.240 nan 0.000 0.538 388 I N 2.549 123.042 120.570 -0.128 0.000 7.474 388 I HA -0.192 3.978 4.170 0.001 0.000 0.126 388 I C 0.538 176.476 176.117 -0.298 0.000 1.805 388 I CA 0.025 61.223 61.300 -0.170 0.000 2.128 388 I CB -2.239 35.694 38.000 -0.112 0.000 3.592 388 I HN 0.564 nan 8.210 nan 0.000 0.196 389 L N 2.912 123.940 121.223 -0.325 0.000 2.130 389 L HA 0.285 4.625 4.340 0.001 0.000 0.200 389 L C 0.794 177.164 176.870 -0.832 0.000 1.075 389 L CA 2.043 56.568 54.840 -0.525 0.000 0.768 389 L CB -0.107 41.708 42.059 -0.406 0.000 0.933 389 L HN 0.383 nan 8.230 nan 0.000 0.451 390 F N -1.110 118.660 119.950 -0.301 0.000 2.599 390 F HA 0.584 5.111 4.527 0.001 0.000 0.311 390 F C 0.024 175.560 175.800 -0.439 0.000 1.076 390 F CA -0.940 56.865 58.000 -0.324 0.000 0.937 390 F CB 1.656 40.557 39.000 -0.166 0.000 1.282 390 F HN -0.182 nan 8.300 nan 0.000 0.460 391 M N 1.263 120.506 119.600 -0.595 0.000 2.658 391 M HA 1.022 5.502 4.480 0.001 0.000 0.295 391 M C -0.731 175.007 176.300 -0.937 0.000 1.248 391 M CA -0.371 54.423 55.300 -0.843 0.000 0.843 391 M CB 2.790 34.982 32.600 -0.679 0.000 1.749 391 M HN 0.793 nan 8.290 nan 0.000 0.464 392 G N 1.223 109.241 108.800 -1.304 0.000 2.317 392 G HA2 0.494 4.454 3.960 0.001 0.000 0.293 392 G HA3 0.494 4.454 3.960 0.001 0.000 0.293 392 G C -2.277 172.124 174.900 -0.831 0.000 1.287 392 G CA -0.967 43.718 45.100 -0.692 0.000 0.850 392 G HN 1.166 nan 8.290 nan 0.000 0.515 393 R N -1.056 119.345 120.500 -0.165 0.000 2.548 393 R HA 0.628 4.969 4.340 0.001 0.000 0.280 393 R C -1.457 174.778 176.300 -0.109 0.000 1.061 393 R CA -0.851 55.195 56.100 -0.090 0.000 0.915 393 R CB 1.954 32.321 30.300 0.110 0.000 1.210 393 R HN 0.463 nan 8.270 nan 0.000 0.442 394 V N 5.244 124.900 119.914 -0.430 0.000 2.352 394 V HA 0.065 4.185 4.120 0.001 0.000 0.253 394 V C 0.960 176.817 176.094 -0.394 0.000 1.083 394 V CA -0.288 61.692 62.300 -0.534 0.000 0.993 394 V CB 0.710 31.907 31.823 -1.043 0.000 1.111 394 V HN 0.872 nan 8.190 nan 0.000 0.490 395 M N 2.515 121.958 119.600 -0.262 0.000 2.435 395 M HA 0.169 4.649 4.480 0.001 0.000 0.265 395 M C 0.446 176.476 176.300 -0.450 0.000 1.104 395 M CA 1.055 56.161 55.300 -0.323 0.000 1.140 395 M CB -0.435 31.905 32.600 -0.433 0.000 1.372 395 M HN 0.650 nan 8.290 nan 0.000 0.456 396 H N -0.247 118.768 119.070 -0.093 0.000 3.092 396 H HA 0.226 4.783 4.556 0.001 0.000 0.308 396 H C -1.847 173.334 175.328 -0.246 0.000 1.047 396 H CA -1.295 54.677 56.048 -0.126 0.000 1.466 396 H CB 1.359 31.092 29.762 -0.049 0.000 1.597 396 H HN -0.056 nan 8.280 nan 0.000 0.512 397 P HA -0.041 nan 4.420 nan 0.000 0.252 397 P C -0.058 177.134 177.300 -0.180 0.000 1.218 397 P CA 0.130 62.991 63.100 -0.398 0.000 0.807 397 P CB 0.574 31.764 31.700 -0.849 0.000 1.072 398 E N 1.679 121.800 120.200 -0.131 0.000 2.414 398 E HA 0.024 4.374 4.350 0.001 0.000 0.263 398 E C 0.544 177.129 176.600 -0.025 0.000 1.000 398 E CA 0.166 56.528 56.400 -0.063 0.000 0.914 398 E CB 0.039 29.707 29.700 -0.053 0.000 0.948 398 E HN 0.113 nan 8.360 nan 0.000 0.444 399 T N 0.683 115.235 114.554 -0.002 0.000 4.600 399 T HA -0.024 4.326 4.350 0.001 0.000 0.459 399 T C 0.859 175.568 174.700 0.015 0.000 1.031 399 T CA 0.132 62.243 62.100 0.018 0.000 1.058 399 T CB 0.076 68.959 68.868 0.026 0.000 1.340 399 T HN 0.559 nan 8.240 nan 0.000 0.459 400 M N 1.809 121.427 119.600 0.030 0.000 2.043 400 M HA 0.473 4.953 4.480 0.001 0.000 0.322 400 M C -0.693 175.623 176.300 0.026 0.000 0.962 400 M CA -0.804 54.517 55.300 0.035 0.000 0.927 400 M CB -0.168 32.470 32.600 0.063 0.000 1.466 400 M HN 0.738 nan 8.290 nan 0.000 0.412 401 N N 1.973 120.679 118.700 0.011 0.000 2.438 401 N HA -0.090 4.650 4.740 0.001 0.000 0.279 401 N C -0.931 174.582 175.510 0.004 0.000 1.343 401 N CA 0.979 54.037 53.050 0.012 0.000 0.632 401 N CB -0.669 37.834 38.487 0.028 0.000 0.902 401 N HN 1.006 nan 8.380 nan 0.000 0.518 402 T N -2.058 112.489 114.554 -0.012 0.000 2.661 402 T HA 0.694 5.044 4.350 0.001 0.000 0.274 402 T C -0.619 174.047 174.700 -0.058 0.000 2.041 402 T CA -0.063 62.011 62.100 -0.043 0.000 0.941 402 T CB 1.840 70.703 68.868 -0.009 0.000 2.190 402 T HN 0.818 nan 8.240 nan 0.000 0.426 403 S N -1.841 113.802 115.700 -0.095 0.000 2.655 403 S HA 0.497 4.968 4.470 0.001 0.000 0.263 403 S C 0.253 174.807 174.600 -0.076 0.000 1.091 403 S CA 0.572 58.728 58.200 -0.073 0.000 0.865 403 S CB 0.245 63.401 63.200 -0.073 0.000 1.146 403 S HN 2.453 nan 8.310 nan 0.000 0.482 404 G N 1.813 110.602 108.800 -0.018 0.000 1.980 404 G HA2 -0.128 3.832 3.960 0.001 0.000 0.241 404 G HA3 -0.128 3.832 3.960 0.001 0.000 0.241 404 G C -0.065 174.956 174.900 0.202 0.000 0.728 404 G CA 1.425 46.555 45.100 0.050 0.000 0.968 404 G HN 0.784 nan 8.290 nan 0.000 0.377 405 H N 0.140 119.220 119.070 0.016 0.000 3.287 405 H HA 0.361 4.917 4.556 0.001 0.000 0.329 405 H C -0.816 174.535 175.328 0.039 0.000 1.130 405 H CA -0.626 55.435 56.048 0.022 0.000 1.593 405 H CB 1.685 31.454 29.762 0.012 0.000 1.916 405 H HN 0.495 nan 8.280 nan 0.000 0.503 406 D N 2.352 122.833 120.400 0.136 0.000 3.849 406 D HA -0.068 4.572 4.640 0.001 0.000 0.327 406 D C -1.710 174.701 176.300 0.184 0.000 1.077 406 D CA -0.466 53.615 54.000 0.136 0.000 0.812 406 D CB 0.408 41.283 40.800 0.125 0.000 1.778 406 D HN 0.314 nan 8.370 nan 0.000 0.573 407 F N 0.000 119.959 119.950 0.015 0.000 2.286 407 F HA 0.000 4.527 4.527 0.001 0.000 0.279 407 F CA 0.000 58.007 58.000 0.012 0.000 1.383 407 F CB 0.000 39.003 39.000 0.005 0.000 1.145 407 F HN 0.000 nan 8.300 nan 0.000 0.574