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_D DATA FIRST_RESID 22 DATA SEQUENCE PEEAIADLSV NMYNRLRATG EDENILFSPL SIALAMGMME LGAQGSTQKE DATA SEQUENCE IRHSMGYDXX XXXXEFSFLK EFSNMVTAKE SQYVMKIANS LFVQNGFHVN DATA SEQUENCE EEFLQMMKKY FNAAVNHVDF SQNVAVANYI NKWVENNTNN LVKDLVSPRD DATA SEQUENCE FDAATYLALI NAVYFKGNWK SQFRPENTRT FSFTKDDESE VQIPMMYQQG DATA SEQUENCE EFYYGEFSDG XXXXXXIYQV LEIPYEGDEI SMMLVLSRQE VPLATLEPLV DATA SEQUENCE KAQLVEEWAN SVKKQKVEVY LPRFTVEQEI DLKDVLKALG ITEIFXKDAN DATA SEQUENCE LTGLSDNKEI FLSKAIHKSF LEVNEEGSEA AAVXXMIAIS RMAVLYPQVI DATA SEQUENCE VDHPFFFLIR NRRTGTILFM GRVMHPET 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 0.000 177.254 177.300 -0.077 0.000 1.155 22 P CA 0.000 63.009 63.100 -0.152 0.000 0.800 22 P CB 0.000 31.813 31.700 0.188 0.000 0.726 23 E N 0.956 121.374 120.200 0.362 0.000 2.265 23 E HA -0.157 4.192 4.350 -0.001 0.000 0.196 23 E C 1.591 178.290 176.600 0.166 0.000 0.996 23 E CA 1.365 58.002 56.400 0.396 0.000 0.832 23 E CB -0.179 29.777 29.700 0.426 0.000 0.756 23 E HN 0.618 nan 8.360 nan 0.000 0.491 24 E N 1.061 121.324 120.200 0.105 0.000 2.197 24 E HA -0.357 3.992 4.350 -0.001 0.000 0.205 24 E C 1.858 178.474 176.600 0.027 0.000 1.029 24 E CA 1.589 58.018 56.400 0.048 0.000 0.828 24 E CB -0.191 29.524 29.700 0.025 0.000 0.737 24 E HN 0.289 nan 8.360 nan 0.000 0.464 25 A N 1.518 124.342 122.820 0.007 0.000 1.873 25 A HA -0.091 4.228 4.320 -0.001 0.000 0.215 25 A C 2.322 179.925 177.584 0.032 0.000 1.186 25 A CA 1.266 53.297 52.037 -0.010 0.000 0.616 25 A CB -0.653 18.308 19.000 -0.065 0.000 0.823 25 A HN 0.395 nan 8.150 nan 0.000 0.442 26 I N -0.114 120.508 120.570 0.086 0.000 2.502 26 I HA -0.350 3.819 4.170 -0.001 0.000 0.258 26 I C 2.786 178.961 176.117 0.095 0.000 1.172 26 I CA 0.816 62.196 61.300 0.134 0.000 1.430 26 I CB -0.243 37.908 38.000 0.252 0.000 1.086 26 I HN 0.435 nan 8.210 nan 0.000 0.440 27 A N 0.739 123.601 122.820 0.070 0.000 1.845 27 A HA -0.251 4.068 4.320 -0.001 0.000 0.215 27 A C 1.907 179.517 177.584 0.044 0.000 1.195 27 A CA 2.171 54.237 52.037 0.048 0.000 0.616 27 A CB -0.686 18.330 19.000 0.026 0.000 0.832 27 A HN 0.324 nan 8.150 nan 0.000 0.443 28 D N -0.493 119.922 120.400 0.026 0.000 2.117 28 D HA -0.131 4.508 4.640 -0.001 0.000 0.197 28 D C 1.823 178.145 176.300 0.037 0.000 0.987 28 D CA 1.192 55.201 54.000 0.015 0.000 0.829 28 D CB -0.380 40.414 40.800 -0.009 0.000 0.961 28 D HN 0.340 nan 8.370 nan 0.000 0.460 29 L N 0.588 121.840 121.223 0.049 0.000 2.012 29 L HA -0.214 4.125 4.340 -0.001 0.000 0.210 29 L C 2.074 179.023 176.870 0.131 0.000 1.073 29 L CA 1.560 56.440 54.840 0.067 0.000 0.748 29 L CB -0.352 41.751 42.059 0.073 0.000 0.891 29 L HN -0.079 nan 8.230 nan 0.000 0.431 30 S N -1.280 114.527 115.700 0.177 0.000 2.382 30 S HA -0.151 4.319 4.470 -0.001 0.000 0.228 30 S C 1.904 176.702 174.600 0.330 0.000 1.027 30 S CA 1.372 59.757 58.200 0.307 0.000 0.991 30 S CB -0.475 62.829 63.200 0.173 0.000 0.823 30 S HN 0.343 nan 8.310 nan 0.000 0.469 31 V N 3.022 123.043 119.914 0.180 0.000 2.323 31 V HA -0.138 3.982 4.120 -0.001 0.000 0.244 31 V C 2.155 178.337 176.094 0.147 0.000 1.041 31 V CA 1.488 63.877 62.300 0.149 0.000 1.025 31 V CB -0.860 30.988 31.823 0.043 0.000 0.656 31 V HN 0.389 nan 8.190 nan 0.000 0.451 32 N N 0.188 118.938 118.700 0.082 0.000 2.061 32 N HA -0.193 4.547 4.740 -0.001 0.000 0.193 32 N C 1.792 177.307 175.510 0.008 0.000 1.030 32 N CA 1.821 54.891 53.050 0.033 0.000 0.856 32 N CB -0.414 38.077 38.487 0.008 0.000 1.023 32 N HN 0.421 nan 8.380 nan 0.000 0.424 33 M N -0.973 118.625 119.600 -0.003 0.000 2.175 33 M HA -0.160 4.319 4.480 -0.001 0.000 0.264 33 M C 1.920 178.136 176.300 -0.141 0.000 1.063 33 M CA 1.128 56.317 55.300 -0.185 0.000 1.119 33 M CB -0.302 32.012 32.600 -0.475 0.000 1.377 33 M HN 0.116 nan 8.290 nan 0.000 0.415 34 Y N 1.858 122.162 120.300 0.007 0.000 2.145 34 Y HA -0.261 4.288 4.550 -0.001 0.000 0.286 34 Y C 2.119 178.026 175.900 0.011 0.000 1.145 34 Y CA 1.791 59.959 58.100 0.112 0.000 1.148 34 Y CB -0.329 38.271 38.460 0.233 0.000 0.981 34 Y HN 0.286 nan 8.280 nan 0.000 0.507 35 N N 0.274 118.993 118.700 0.033 0.000 2.069 35 N HA -0.209 4.530 4.740 -0.001 0.000 0.191 35 N C 1.925 177.362 175.510 -0.120 0.000 1.031 35 N CA 1.508 54.526 53.050 -0.054 0.000 0.852 35 N CB -0.610 37.871 38.487 -0.009 0.000 1.018 35 N HN 0.218 nan 8.380 nan 0.000 0.423 36 R N 1.497 121.930 120.500 -0.112 0.000 2.082 36 R HA 0.034 4.374 4.340 -0.001 0.000 0.234 36 R C 2.197 178.405 176.300 -0.154 0.000 1.136 36 R CA 1.256 57.283 56.100 -0.122 0.000 0.935 36 R CB -1.029 29.196 30.300 -0.125 0.000 0.842 36 R HN 0.272 nan 8.270 nan 0.000 0.430 37 L N 0.078 121.179 121.223 -0.204 0.000 2.131 37 L HA -0.114 4.225 4.340 -0.001 0.000 0.210 37 L C 2.663 179.399 176.870 -0.223 0.000 1.092 37 L CA 1.385 56.103 54.840 -0.202 0.000 0.759 37 L CB -0.400 41.534 42.059 -0.208 0.000 0.903 37 L HN 0.240 nan 8.230 nan 0.000 0.435 38 R N 0.052 120.357 120.500 -0.325 0.000 2.082 38 R HA -0.198 4.141 4.340 -0.001 0.000 0.234 38 R C 2.470 178.678 176.300 -0.154 0.000 1.136 38 R CA 1.612 57.540 56.100 -0.288 0.000 0.935 38 R CB -0.616 29.502 30.300 -0.302 0.000 0.842 38 R HN 0.359 nan 8.270 nan 0.000 0.430 39 A N 0.716 123.459 122.820 -0.129 0.000 1.873 39 A HA -0.172 4.148 4.320 -0.001 0.000 0.218 39 A C 1.916 179.456 177.584 -0.075 0.000 1.193 39 A CA 2.141 54.126 52.037 -0.087 0.000 0.629 39 A CB -0.891 18.063 19.000 -0.078 0.000 0.826 39 A HN 0.529 nan 8.150 nan 0.000 0.447 40 T N -3.799 110.705 114.554 -0.083 0.000 3.268 40 T HA 0.506 4.855 4.350 -0.001 0.000 0.244 40 T C 0.598 175.263 174.700 -0.059 0.000 0.915 40 T CA 0.534 62.594 62.100 -0.067 0.000 0.935 40 T CB 0.062 68.888 68.868 -0.070 0.000 1.110 40 T HN 0.686 nan 8.240 nan 0.000 0.573 41 G N 0.713 109.480 108.800 -0.056 0.000 3.941 41 G HA2 0.180 4.140 3.960 -0.001 0.000 0.222 41 G HA3 0.180 4.140 3.960 -0.001 0.000 0.222 41 G C 0.002 174.891 174.900 -0.017 0.000 1.118 41 G CA -0.277 44.800 45.100 -0.037 0.000 0.880 41 G HN 0.535 nan 8.290 nan 0.000 0.546 42 E N 1.582 121.768 120.200 -0.023 0.000 0.833 42 E HA -0.132 4.218 4.350 -0.001 0.000 0.226 42 E C 0.600 177.213 176.600 0.022 0.000 0.613 42 E CA 1.376 57.773 56.400 -0.006 0.000 0.673 42 E CB -1.151 28.545 29.700 -0.006 0.000 0.966 42 E HN 0.453 nan 8.360 nan 0.000 0.262 43 D N 0.896 121.316 120.400 0.033 0.000 3.087 43 D HA -0.149 4.491 4.640 -0.001 0.000 0.208 43 D C -1.103 175.293 176.300 0.161 0.000 1.030 43 D CA 1.292 55.335 54.000 0.071 0.000 0.976 43 D CB -1.066 39.780 40.800 0.078 0.000 1.063 43 D HN 0.682 nan 8.370 nan 0.000 0.443 44 E N -0.131 120.145 120.200 0.127 0.000 2.235 44 E HA 0.552 4.902 4.350 -0.001 0.000 0.265 44 E C -0.076 176.612 176.600 0.146 0.000 0.940 44 E CA -1.122 55.383 56.400 0.174 0.000 0.819 44 E CB 0.551 30.305 29.700 0.089 0.000 1.206 44 E HN 0.104 nan 8.360 nan 0.000 0.409 45 N N 1.111 119.919 118.700 0.180 0.000 2.454 45 N HA 0.149 4.889 4.740 -0.001 0.000 0.254 45 N C -0.677 174.910 175.510 0.129 0.000 1.228 45 N CA 0.457 53.587 53.050 0.132 0.000 0.900 45 N CB 0.340 38.901 38.487 0.122 0.000 1.089 45 N HN 0.359 nan 8.380 nan 0.000 0.449 46 I N 1.608 122.270 120.570 0.153 0.000 2.509 46 I HA 0.460 4.629 4.170 -0.001 0.000 0.293 46 I C -0.781 175.485 176.117 0.247 0.000 1.020 46 I CA -0.937 60.486 61.300 0.204 0.000 1.088 46 I CB 1.890 40.023 38.000 0.221 0.000 1.267 46 I HN 0.201 nan 8.210 nan 0.000 0.430 47 L N 8.151 129.570 121.223 0.326 0.000 2.641 47 L HA 0.640 4.980 4.340 -0.001 0.000 0.261 47 L C -1.838 175.337 176.870 0.509 0.000 0.926 47 L CA -0.171 54.868 54.840 0.331 0.000 0.917 47 L CB 1.744 43.982 42.059 0.299 0.000 1.361 47 L HN 0.557 nan 8.230 nan 0.000 0.417 48 F N 1.569 121.731 119.950 0.352 0.000 2.719 48 F HA 0.719 5.245 4.527 -0.001 0.000 0.309 48 F C -1.152 174.800 175.800 0.253 0.000 1.138 48 F CA -0.816 57.406 58.000 0.370 0.000 0.943 48 F CB 1.510 40.614 39.000 0.173 0.000 1.304 48 F HN 0.412 nan 8.300 nan 0.000 0.445 49 S N 3.188 118.993 115.700 0.175 0.000 2.505 49 S HA 0.426 4.895 4.470 -0.001 0.000 0.280 49 S C -1.797 172.716 174.600 -0.147 0.000 1.197 49 S CA -1.641 56.365 58.200 -0.323 0.000 1.138 49 S CB 0.494 63.410 63.200 -0.474 0.000 1.010 49 S HN 0.531 nan 8.310 nan 0.000 0.480 50 P HA -0.163 nan 4.420 nan 0.000 0.217 50 P C 1.580 178.909 177.300 0.048 0.000 1.148 50 P CA 0.643 63.804 63.100 0.101 0.000 0.828 50 P CB 0.074 31.838 31.700 0.107 0.000 0.783 51 L N 0.711 121.897 121.223 -0.063 0.000 1.955 51 L HA -0.177 4.162 4.340 -0.001 0.000 0.213 51 L C 2.706 179.648 176.870 0.119 0.000 1.072 51 L CA 2.835 57.700 54.840 0.041 0.000 0.755 51 L CB -1.745 40.210 42.059 -0.172 0.000 0.888 51 L HN 0.042 nan 8.230 nan 0.000 0.432 52 S N -0.192 115.528 115.700 0.033 0.000 2.359 52 S HA -0.278 4.191 4.470 -0.001 0.000 0.223 52 S C 2.118 176.790 174.600 0.120 0.000 1.039 52 S CA 2.091 60.372 58.200 0.135 0.000 1.042 52 S CB -1.151 62.195 63.200 0.244 0.000 0.915 52 S HN 0.506 nan 8.310 nan 0.000 0.439 53 I N 2.187 122.777 120.570 0.033 0.000 2.423 53 I HA -0.165 4.004 4.170 -0.001 0.000 0.254 53 I C 2.917 179.057 176.117 0.038 0.000 1.151 53 I CA 1.014 62.315 61.300 0.001 0.000 1.421 53 I CB -0.597 37.357 38.000 -0.076 0.000 1.079 53 I HN 0.508 nan 8.210 nan 0.000 0.431 54 A N 0.853 123.723 122.820 0.082 0.000 1.929 54 A HA -0.076 4.243 4.320 -0.001 0.000 0.216 54 A C 2.263 179.867 177.584 0.034 0.000 1.176 54 A CA 1.051 53.135 52.037 0.079 0.000 0.628 54 A CB -0.593 18.513 19.000 0.176 0.000 0.816 54 A HN 0.374 nan 8.150 nan 0.000 0.444 55 L N -0.755 120.520 121.223 0.086 0.000 2.093 55 L HA -0.161 4.179 4.340 -0.001 0.000 0.208 55 L C 3.059 179.812 176.870 -0.195 0.000 1.085 55 L CA 0.915 55.774 54.840 0.031 0.000 0.755 55 L CB -0.598 41.569 42.059 0.181 0.000 0.904 55 L HN 0.436 nan 8.230 nan 0.000 0.435 56 A N -0.204 122.579 122.820 -0.061 0.000 1.877 56 A HA -0.197 4.123 4.320 -0.001 0.000 0.216 56 A C 2.246 179.755 177.584 -0.124 0.000 1.186 56 A CA 1.508 53.507 52.037 -0.063 0.000 0.620 56 A CB -0.348 18.680 19.000 0.046 0.000 0.822 56 A HN 0.267 nan 8.150 nan 0.000 0.443 57 M N -0.270 119.274 119.600 -0.095 0.000 2.492 57 M HA -0.009 4.470 4.480 -0.001 0.000 0.262 57 M C 2.114 178.329 176.300 -0.141 0.000 1.090 57 M CA 0.909 56.156 55.300 -0.087 0.000 1.110 57 M CB -1.529 31.046 32.600 -0.042 0.000 1.407 57 M HN 0.489 nan 8.290 nan 0.000 0.470 58 G N 0.975 109.613 108.800 -0.270 0.000 2.394 58 G HA2 -0.202 3.757 3.960 -0.001 0.000 0.214 58 G HA3 -0.202 3.757 3.960 -0.001 0.000 0.214 58 G C 1.570 176.214 174.900 -0.428 0.000 1.176 58 G CA 0.868 45.766 45.100 -0.336 0.000 0.786 58 G HN 0.548 nan 8.290 nan 0.000 0.533 59 M N -0.649 118.453 119.600 -0.830 0.000 2.132 59 M HA 0.079 4.558 4.480 -0.001 0.000 0.263 59 M C 2.459 178.791 176.300 0.053 0.000 1.065 59 M CA 1.446 56.511 55.300 -0.392 0.000 1.122 59 M CB -0.427 31.932 32.600 -0.403 0.000 1.365 59 M HN 0.005 nan 8.290 nan 0.000 0.411 60 M N 1.260 120.849 119.600 -0.019 0.000 2.082 60 M HA -0.224 4.255 4.480 -0.001 0.000 0.258 60 M C 2.178 178.526 176.300 0.079 0.000 1.069 60 M CA 2.374 57.688 55.300 0.025 0.000 1.102 60 M CB -1.531 31.035 32.600 -0.057 0.000 1.336 60 M HN 0.588 nan 8.290 nan 0.000 0.404 61 E N 0.521 120.771 120.200 0.083 0.000 2.058 61 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 61 E C 2.168 178.940 176.600 0.286 0.000 0.997 61 E CA 1.219 57.715 56.400 0.160 0.000 0.801 61 E CB -0.161 29.635 29.700 0.160 0.000 0.746 61 E HN 0.475 nan 8.360 nan 0.000 0.450 62 L N 0.097 121.577 121.223 0.428 0.000 2.051 62 L HA -0.192 4.148 4.340 -0.001 0.000 0.214 62 L C 2.492 179.645 176.870 0.472 0.000 1.076 62 L CA 1.515 56.655 54.840 0.501 0.000 0.758 62 L CB -0.562 41.824 42.059 0.546 0.000 0.890 62 L HN 0.391 nan 8.230 nan 0.000 0.433 63 G N -1.319 107.760 108.800 0.464 0.000 2.880 63 G HA2 0.288 4.248 3.960 -0.001 0.000 0.209 63 G HA3 0.288 4.248 3.960 -0.001 0.000 0.209 63 G C 0.528 175.414 174.900 -0.022 0.000 1.157 63 G CA 0.448 45.575 45.100 0.046 0.000 0.779 63 G HN 0.389 nan 8.290 nan 0.000 0.539 64 A N -0.581 122.273 122.820 0.056 0.000 2.256 64 A HA 0.817 5.136 4.320 -0.001 0.000 0.318 64 A C -0.194 177.415 177.584 0.041 0.000 1.103 64 A CA -0.397 51.653 52.037 0.021 0.000 0.860 64 A CB 1.053 20.065 19.000 0.019 0.000 1.182 64 A HN 0.191 nan 8.150 nan 0.000 0.501 65 Q N -0.986 118.827 119.800 0.022 0.000 2.418 65 Q HA 0.448 4.787 4.340 -0.001 0.000 0.282 65 Q C 0.667 176.680 176.000 0.022 0.000 1.044 65 Q CA 0.007 55.826 55.803 0.026 0.000 0.813 65 Q CB 1.943 30.688 28.738 0.013 0.000 1.428 65 Q HN 1.664 nan 8.270 nan 0.000 0.402 66 G N 1.675 110.492 108.800 0.028 0.000 2.723 66 G HA2 -0.472 3.487 3.960 -0.001 0.000 0.356 66 G HA3 -0.472 3.487 3.960 -0.001 0.000 0.356 66 G C 1.083 175.995 174.900 0.021 0.000 1.164 66 G CA 1.567 46.681 45.100 0.024 0.000 0.939 66 G HN 0.620 nan 8.290 nan 0.000 0.570 67 S N -0.761 114.943 115.700 0.007 0.000 2.357 67 S HA -0.046 4.424 4.470 -0.001 0.000 0.221 67 S C 2.463 177.060 174.600 -0.005 0.000 1.031 67 S CA 2.446 60.644 58.200 -0.004 0.000 0.982 67 S CB -0.590 62.603 63.200 -0.011 0.000 0.853 67 S HN 0.775 nan 8.310 nan 0.000 0.458 68 T N 1.366 115.917 114.554 -0.006 0.000 2.985 68 T HA 0.002 4.351 4.350 -0.001 0.000 0.266 68 T C 1.849 176.550 174.700 0.001 0.000 1.076 68 T CA 1.122 63.214 62.100 -0.013 0.000 1.135 68 T CB -0.197 68.655 68.868 -0.026 0.000 0.890 68 T HN 0.524 nan 8.240 nan 0.000 0.480 69 Q N 1.083 120.896 119.800 0.022 0.000 2.049 69 Q HA 0.006 4.345 4.340 -0.001 0.000 0.198 69 Q C 2.242 178.282 176.000 0.067 0.000 0.971 69 Q CA 1.182 57.016 55.803 0.051 0.000 0.833 69 Q CB -0.029 28.750 28.738 0.069 0.000 0.896 69 Q HN 0.307 nan 8.270 nan 0.000 0.434 70 K N 0.292 120.730 120.400 0.063 0.000 2.362 70 K HA -0.189 4.130 4.320 -0.001 0.000 0.200 70 K C 1.768 178.395 176.600 0.044 0.000 1.046 70 K CA 1.159 57.496 56.287 0.083 0.000 0.952 70 K CB 0.102 32.641 32.500 0.066 0.000 0.753 70 K HN 0.272 nan 8.250 nan 0.000 0.466 71 E N 0.494 120.706 120.200 0.021 0.000 2.107 71 E HA -0.146 4.203 4.350 -0.001 0.000 0.191 71 E C 1.677 178.310 176.600 0.055 0.000 0.982 71 E CA 0.933 57.343 56.400 0.016 0.000 0.809 71 E CB 0.081 29.782 29.700 0.001 0.000 0.756 71 E HN 0.285 nan 8.360 nan 0.000 0.459 72 I N 0.227 120.826 120.570 0.048 0.000 2.277 72 I HA -0.176 3.993 4.170 -0.001 0.000 0.243 72 I C 2.689 178.846 176.117 0.067 0.000 1.094 72 I CA 0.646 61.972 61.300 0.044 0.000 1.393 72 I CB -0.291 37.723 38.000 0.024 0.000 1.078 72 I HN 0.042 nan 8.210 nan 0.000 0.417 73 R N -0.088 120.477 120.500 0.109 0.000 2.113 73 R HA -0.289 4.050 4.340 -0.001 0.000 0.244 73 R C 2.396 178.813 176.300 0.194 0.000 1.142 73 R CA 2.282 58.477 56.100 0.159 0.000 0.953 73 R CB -0.775 29.674 30.300 0.249 0.000 0.860 73 R HN 0.421 nan 8.270 nan 0.000 0.438 74 H N 0.271 119.375 119.070 0.057 0.000 2.253 74 H HA -0.028 4.528 4.556 0.000 0.000 0.296 74 H C 1.867 177.181 175.328 -0.023 0.000 1.074 74 H CA 2.291 58.292 56.048 -0.077 0.000 1.263 74 H CB -0.204 29.389 29.762 -0.283 0.000 1.363 74 H HN 0.014 nan 8.280 nan 0.000 0.489 75 S N -0.060 115.644 115.700 0.007 0.000 2.537 75 S HA -0.090 4.380 4.470 -0.001 0.000 0.240 75 S C 1.691 176.258 174.600 -0.055 0.000 0.981 75 S CA 0.974 59.149 58.200 -0.042 0.000 0.948 75 S CB -0.034 63.186 63.200 0.033 0.000 0.759 75 S HN 0.388 nan 8.310 nan 0.000 0.531 76 M N -0.350 119.225 119.600 -0.043 0.000 2.940 76 M HA 0.287 4.766 4.480 -0.001 0.000 0.248 76 M C 0.967 177.231 176.300 -0.061 0.000 1.379 76 M CA 0.773 56.049 55.300 -0.039 0.000 1.262 76 M CB -0.541 32.039 32.600 -0.033 0.000 1.201 76 M HN 0.249 nan 8.290 nan 0.000 0.553 77 G N 0.457 109.226 108.800 -0.050 0.000 1.885 77 G HA2 0.261 4.221 3.960 -0.001 0.000 0.309 77 G HA3 0.261 4.221 3.960 -0.001 0.000 0.309 77 G C -2.217 172.686 174.900 0.005 0.000 1.751 77 G CA -0.545 44.519 45.100 -0.060 0.000 0.949 77 G HN 0.195 nan 8.290 nan 0.000 0.564 78 Y N 4.381 124.619 120.300 -0.103 0.000 2.504 78 Y HA 0.570 5.118 4.550 -0.002 0.000 0.339 78 Y C -0.309 175.579 175.900 -0.020 0.000 0.974 78 Y CA -0.612 57.466 58.100 -0.037 0.000 1.232 78 Y CB 0.598 39.067 38.460 0.015 0.000 1.108 78 Y HN 0.808 nan 8.280 nan 0.000 0.509 87 F N 2.018 121.839 119.950 -0.215 0.000 2.558 87 F HA 0.117 4.643 4.527 -0.001 0.000 0.298 87 F C 2.102 177.720 175.800 -0.303 0.000 1.119 87 F CA 1.060 58.827 58.000 -0.388 0.000 1.451 87 F CB 0.303 38.832 39.000 -0.785 0.000 1.091 87 F HN -0.058 nan 8.300 nan 0.000 0.563 88 S N -0.743 114.960 115.700 0.005 0.000 2.522 88 S HA -0.059 4.410 4.470 -0.001 0.000 0.227 88 S C 1.677 176.304 174.600 0.045 0.000 0.986 88 S CA 0.297 58.522 58.200 0.041 0.000 0.929 88 S CB -0.345 62.892 63.200 0.063 0.000 0.769 88 S HN 0.374 nan 8.310 nan 0.000 0.529 89 F N 1.454 121.321 119.950 -0.138 0.000 2.220 89 F HA 0.292 4.819 4.527 -0.000 0.000 0.290 89 F C 1.550 177.103 175.800 -0.413 0.000 1.080 89 F CA 0.811 58.700 58.000 -0.186 0.000 1.318 89 F CB 0.028 38.902 39.000 -0.210 0.000 1.063 89 F HN 0.044 nan 8.300 nan 0.000 0.498 90 L N 0.231 121.287 121.223 -0.279 0.000 2.478 90 L HA -0.073 4.267 4.340 -0.001 0.000 0.223 90 L C 2.149 178.912 176.870 -0.179 0.000 1.140 90 L CA 0.713 55.280 54.840 -0.455 0.000 0.842 90 L CB -0.371 41.543 42.059 -0.242 0.000 0.953 90 L HN 0.094 nan 8.230 nan 0.000 0.452 91 K N 0.125 120.448 120.400 -0.128 0.000 2.228 91 K HA -0.171 4.149 4.320 -0.001 0.000 0.202 91 K C 1.843 178.479 176.600 0.060 0.000 1.051 91 K CA 0.797 57.073 56.287 -0.017 0.000 0.960 91 K CB 0.339 32.861 32.500 0.037 0.000 0.743 91 K HN 0.061 nan 8.250 nan 0.000 0.458 92 E N 0.312 120.545 120.200 0.054 0.000 2.047 92 E HA -0.095 4.254 4.350 -0.001 0.000 0.191 92 E C 1.436 178.189 176.600 0.255 0.000 0.987 92 E CA 1.474 57.943 56.400 0.116 0.000 0.799 92 E CB -0.201 29.528 29.700 0.048 0.000 0.752 92 E HN 0.299 nan 8.360 nan 0.000 0.449 93 F N 0.747 120.668 119.950 -0.049 0.000 2.043 93 F HA -0.272 4.255 4.527 -0.000 0.000 0.297 93 F C 2.297 178.130 175.800 0.055 0.000 1.118 93 F CA 1.013 59.012 58.000 -0.001 0.000 1.202 93 F CB -0.641 38.377 39.000 0.031 0.000 0.965 93 F HN 0.072 nan 8.300 nan 0.000 0.482 94 S N -0.727 115.160 115.700 0.311 0.000 2.803 94 S HA -0.025 4.444 4.470 -0.001 0.000 0.226 94 S C 0.701 175.404 174.600 0.172 0.000 0.962 94 S CA 0.731 59.073 58.200 0.237 0.000 0.968 94 S CB -0.273 63.081 63.200 0.256 0.000 0.786 94 S HN 0.427 nan 8.310 nan 0.000 0.527 95 N N 0.157 118.950 118.700 0.155 0.000 2.676 95 N HA 0.185 4.924 4.740 -0.001 0.000 0.301 95 N C 0.961 176.535 175.510 0.106 0.000 0.746 95 N CA 0.474 53.592 53.050 0.114 0.000 1.211 95 N CB -0.400 38.142 38.487 0.090 0.000 1.549 95 N HN 0.160 nan 8.380 nan 0.000 1.309 96 M N 1.566 121.226 119.600 0.100 0.000 2.630 96 M HA 0.193 4.673 4.480 -0.001 0.000 0.254 96 M C 0.753 177.121 176.300 0.113 0.000 1.092 96 M CA 0.677 56.028 55.300 0.085 0.000 1.087 96 M CB -0.847 31.787 32.600 0.056 0.000 1.453 96 M HN 0.236 nan 8.290 nan 0.000 0.509 97 V N -3.146 116.845 119.914 0.128 0.000 2.727 97 V HA 0.473 4.593 4.120 -0.001 0.000 0.336 97 V C 0.577 176.835 176.094 0.273 0.000 1.228 97 V CA 0.264 62.683 62.300 0.198 0.000 1.270 97 V CB -0.008 31.811 31.823 -0.007 0.000 1.486 97 V HN 0.351 nan 8.190 nan 0.000 0.638 98 T N -0.305 114.392 114.554 0.238 0.000 3.739 98 T HA 0.326 4.675 4.350 -0.001 0.000 0.306 98 T C 1.094 175.858 174.700 0.107 0.000 0.912 98 T CA 0.924 63.147 62.100 0.206 0.000 1.117 98 T CB -0.229 68.745 68.868 0.176 0.000 1.129 98 T HN 1.408 nan 8.240 nan 0.000 0.514 99 A N 4.261 127.129 122.820 0.080 0.000 2.592 99 A HA 0.320 4.640 4.320 -0.001 0.000 0.250 99 A C 0.421 177.996 177.584 -0.014 0.000 1.017 99 A CA 0.510 52.566 52.037 0.031 0.000 0.794 99 A CB -0.612 18.406 19.000 0.030 0.000 0.917 99 A HN 0.791 nan 8.150 nan 0.000 0.515 100 K N 2.579 122.954 120.400 -0.043 0.000 2.591 100 K HA -0.018 4.302 4.320 -0.001 0.000 0.280 100 K C -0.236 176.270 176.600 -0.157 0.000 0.964 100 K CA 0.597 56.819 56.287 -0.109 0.000 1.014 100 K CB 0.621 33.067 32.500 -0.090 0.000 0.877 100 K HN 0.656 nan 8.250 nan 0.000 0.502 101 E N 0.650 120.682 120.200 -0.281 0.000 2.414 101 E HA 0.048 4.398 4.350 -0.001 0.000 0.208 101 E C 0.269 176.746 176.600 -0.205 0.000 0.820 101 E CA 0.274 56.516 56.400 -0.263 0.000 1.143 101 E CB 0.922 30.368 29.700 -0.424 0.000 1.150 101 E HN 0.825 nan 8.360 nan 0.000 0.540 102 S N -1.087 114.476 115.700 -0.229 0.000 1.202 102 S HA -0.141 4.329 4.470 -0.001 0.000 0.254 102 S C 1.253 175.762 174.600 -0.152 0.000 0.572 102 S CA 0.841 58.951 58.200 -0.151 0.000 0.938 102 S CB -0.622 62.519 63.200 -0.098 0.000 0.819 102 S HN 0.143 nan 8.310 nan 0.000 0.485 103 Q N 1.315 121.008 119.800 -0.180 0.000 2.205 103 Q HA 0.375 4.714 4.340 -0.001 0.000 0.193 103 Q C 0.685 176.571 176.000 -0.190 0.000 0.995 103 Q CA 0.740 56.468 55.803 -0.125 0.000 0.842 103 Q CB -0.512 28.217 28.738 -0.015 0.000 0.941 103 Q HN 0.731 nan 8.270 nan 0.000 0.515 104 Y N 1.143 121.322 120.300 -0.201 0.000 2.442 104 Y HA 0.513 5.062 4.550 -0.001 0.000 0.330 104 Y C -0.741 174.954 175.900 -0.342 0.000 1.129 104 Y CA -1.758 56.093 58.100 -0.415 0.000 1.365 104 Y CB 0.516 38.784 38.460 -0.320 0.000 1.233 104 Y HN -0.097 nan 8.280 nan 0.000 0.529 105 V N 7.836 127.573 119.914 -0.295 0.000 2.384 105 V HA 0.352 4.472 4.120 -0.001 0.000 0.287 105 V C 0.034 176.174 176.094 0.076 0.000 1.020 105 V CA -0.887 61.339 62.300 -0.122 0.000 0.850 105 V CB 1.123 32.893 31.823 -0.089 0.000 0.987 105 V HN 0.887 nan 8.190 nan 0.000 0.436 106 M N 4.958 124.723 119.600 0.274 0.000 2.456 106 M HA 0.621 5.100 4.480 -0.001 0.000 0.324 106 M C -0.785 175.690 176.300 0.291 0.000 1.124 106 M CA -0.751 54.789 55.300 0.400 0.000 0.959 106 M CB 2.367 35.245 32.600 0.463 0.000 1.692 106 M HN 0.436 nan 8.290 nan 0.000 0.444 107 K N 3.679 124.277 120.400 0.329 0.000 2.443 107 K HA 0.633 4.952 4.320 -0.001 0.000 0.252 107 K C -1.211 175.531 176.600 0.237 0.000 0.933 107 K CA -0.623 55.798 56.287 0.223 0.000 0.792 107 K CB 2.288 34.891 32.500 0.171 0.000 1.185 107 K HN 0.675 nan 8.250 nan 0.000 0.425 108 I N -1.054 119.626 120.570 0.183 0.000 2.478 108 I HA 0.592 4.762 4.170 -0.001 0.000 0.287 108 I C -0.405 175.825 176.117 0.188 0.000 1.042 108 I CA -0.938 60.486 61.300 0.207 0.000 1.067 108 I CB 2.161 40.290 38.000 0.216 0.000 1.233 108 I HN 0.488 nan 8.210 nan 0.000 0.431 109 A N 4.479 127.445 122.820 0.243 0.000 2.511 109 A HA 0.630 4.950 4.320 -0.001 0.000 0.340 109 A C -0.638 177.283 177.584 0.562 0.000 1.396 109 A CA -0.402 51.858 52.037 0.371 0.000 0.887 109 A CB -0.061 19.115 19.000 0.293 0.000 1.145 109 A HN 0.664 nan 8.150 nan 0.000 0.497 110 N N 1.249 120.239 118.700 0.483 0.000 2.444 110 N HA 0.562 5.301 4.740 -0.001 0.000 0.262 110 N C -0.968 174.665 175.510 0.204 0.000 0.974 110 N CA 0.245 53.478 53.050 0.306 0.000 0.933 110 N CB 1.504 40.115 38.487 0.207 0.000 1.137 110 N HN 0.491 nan 8.380 nan 0.000 0.498 111 S N 2.706 118.400 115.700 -0.010 0.000 2.579 111 S HA 0.640 5.109 4.470 -0.001 0.000 0.272 111 S C -2.014 172.440 174.600 -0.244 0.000 1.141 111 S CA -0.590 57.406 58.200 -0.340 0.000 0.843 111 S CB 0.753 63.229 63.200 -1.207 0.000 1.122 111 S HN 0.314 nan 8.310 nan 0.000 0.468 112 L N 3.326 124.359 121.223 -0.316 0.000 2.316 112 L HA 0.622 4.961 4.340 -0.001 0.000 0.280 112 L C -1.559 175.159 176.870 -0.253 0.000 1.006 112 L CA -0.304 54.471 54.840 -0.109 0.000 0.836 112 L CB 0.631 42.708 42.059 0.030 0.000 1.221 112 L HN 0.621 nan 8.230 nan 0.000 0.418 113 F N 4.381 124.320 119.950 -0.019 0.000 2.404 113 F HA 0.591 5.117 4.527 -0.001 0.000 0.354 113 F C 0.287 176.169 175.800 0.137 0.000 1.122 113 F CA -0.742 57.267 58.000 0.016 0.000 1.080 113 F CB 1.616 40.633 39.000 0.029 0.000 1.131 113 F HN 0.175 nan 8.300 nan 0.000 0.471 114 V N 3.888 123.877 119.914 0.125 0.000 2.680 114 V HA 0.509 4.629 4.120 -0.001 0.000 0.309 114 V C -0.431 175.683 176.094 0.034 0.000 1.052 114 V CA -0.717 61.626 62.300 0.071 0.000 0.908 114 V CB 1.823 33.562 31.823 -0.141 0.000 1.001 114 V HN 0.753 nan 8.190 nan 0.000 0.431 115 Q N 4.383 124.368 119.800 0.307 0.000 2.479 115 Q HA 0.101 4.440 4.340 -0.001 0.000 0.267 115 Q C 0.918 177.090 176.000 0.287 0.000 1.071 115 Q CA 0.947 56.990 55.803 0.401 0.000 0.935 115 Q CB 0.572 29.738 28.738 0.713 0.000 1.295 115 Q HN 0.812 nan 8.270 nan 0.000 0.476 116 N N 1.871 120.725 118.700 0.256 0.000 2.142 116 N HA -0.098 4.642 4.740 -0.001 0.000 0.186 116 N C 1.293 176.963 175.510 0.268 0.000 1.023 116 N CA 1.326 54.560 53.050 0.305 0.000 0.852 116 N CB -0.449 38.144 38.487 0.177 0.000 0.998 116 N HN 0.780 nan 8.380 nan 0.000 0.424 117 G N 0.408 109.278 108.800 0.116 0.000 2.450 117 G HA2 -0.172 3.787 3.960 -0.001 0.000 0.220 117 G HA3 -0.172 3.787 3.960 -0.001 0.000 0.220 117 G C 0.216 175.052 174.900 -0.106 0.000 1.130 117 G CA 0.234 45.278 45.100 -0.094 0.000 0.760 117 G HN 0.172 nan 8.290 nan 0.000 0.557 118 F N 0.986 120.992 119.950 0.094 0.000 2.471 118 F HA 0.325 4.851 4.527 -0.001 0.000 0.365 118 F C 0.691 176.615 175.800 0.206 0.000 1.095 118 F CA -1.165 56.876 58.000 0.069 0.000 1.174 118 F CB 0.492 39.469 39.000 -0.038 0.000 1.105 118 F HN 0.057 nan 8.300 nan 0.000 0.535 119 H N 3.335 122.532 119.070 0.212 0.000 2.690 119 H HA 0.429 4.985 4.556 -0.001 0.000 0.314 119 H C -1.004 174.425 175.328 0.169 0.000 1.069 119 H CA -0.741 55.421 56.048 0.190 0.000 1.436 119 H CB 0.734 30.551 29.762 0.093 0.000 1.462 119 H HN 0.369 nan 8.280 nan 0.000 0.511 120 V N 6.007 126.031 119.914 0.183 0.000 2.465 120 V HA 0.085 4.205 4.120 -0.001 0.000 0.279 120 V C 0.343 176.314 176.094 -0.205 0.000 1.045 120 V CA -1.051 61.236 62.300 -0.021 0.000 0.938 120 V CB 0.899 32.839 31.823 0.195 0.000 0.986 120 V HN 0.852 nan 8.190 nan 0.000 0.467 121 N N 3.633 122.208 118.700 -0.207 0.000 2.357 121 N HA -0.043 4.697 4.740 -0.001 0.000 0.257 121 N C 1.067 176.630 175.510 0.088 0.000 1.250 121 N CA 0.181 53.163 53.050 -0.114 0.000 0.862 121 N CB 0.836 39.308 38.487 -0.024 0.000 1.066 121 N HN 0.643 nan 8.380 nan 0.000 0.468 122 E N 1.347 121.612 120.200 0.108 0.000 2.160 122 E HA -0.180 4.170 4.350 -0.001 0.000 0.195 122 E C 1.149 177.817 176.600 0.113 0.000 0.991 122 E CA 1.077 57.560 56.400 0.138 0.000 0.810 122 E CB 0.179 29.955 29.700 0.125 0.000 0.742 122 E HN 0.529 nan 8.360 nan 0.000 0.466 123 E N -0.491 119.776 120.200 0.111 0.000 2.122 123 E HA -0.075 4.275 4.350 -0.001 0.000 0.190 123 E C 1.754 178.433 176.600 0.132 0.000 0.977 123 E CA 0.268 56.727 56.400 0.098 0.000 0.820 123 E CB -0.164 29.586 29.700 0.084 0.000 0.770 123 E HN 0.287 nan 8.360 nan 0.000 0.462 124 F N 1.575 121.545 119.950 0.034 0.000 2.161 124 F HA -0.172 4.354 4.527 -0.001 0.000 0.300 124 F C 2.030 177.874 175.800 0.074 0.000 1.089 124 F CA 1.120 59.154 58.000 0.056 0.000 1.282 124 F CB -0.144 38.878 39.000 0.037 0.000 1.010 124 F HN -0.056 nan 8.300 nan 0.000 0.485 125 L N -0.289 120.985 121.223 0.085 0.000 2.156 125 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 125 L C 2.527 179.364 176.870 -0.054 0.000 1.095 125 L CA 0.846 55.682 54.840 -0.007 0.000 0.770 125 L CB -0.730 41.388 42.059 0.097 0.000 0.914 125 L HN 0.219 nan 8.230 nan 0.000 0.439 126 Q N -0.491 119.293 119.800 -0.026 0.000 2.046 126 Q HA -0.152 4.188 4.340 -0.001 0.000 0.200 126 Q C 2.284 178.221 176.000 -0.105 0.000 0.975 126 Q CA 1.251 57.024 55.803 -0.050 0.000 0.836 126 Q CB -0.099 28.623 28.738 -0.026 0.000 0.896 126 Q HN 0.480 nan 8.270 nan 0.000 0.428 127 M N -0.308 119.239 119.600 -0.088 0.000 2.156 127 M HA -0.088 4.392 4.480 -0.001 0.000 0.264 127 M C 2.226 178.509 176.300 -0.028 0.000 1.067 127 M CA 1.043 56.309 55.300 -0.056 0.000 1.131 127 M CB -0.958 31.694 32.600 0.086 0.000 1.368 127 M HN 0.179 nan 8.290 nan 0.000 0.416 128 M N 0.905 120.432 119.600 -0.122 0.000 2.106 128 M HA -0.217 4.262 4.480 -0.001 0.000 0.259 128 M C 2.133 178.452 176.300 0.031 0.000 1.068 128 M CA 1.895 57.153 55.300 -0.071 0.000 1.100 128 M CB -0.450 31.922 32.600 -0.381 0.000 1.351 128 M HN 0.221 nan 8.290 nan 0.000 0.404 129 K N -0.499 119.877 120.400 -0.039 0.000 2.007 129 K HA -0.204 4.115 4.320 -0.001 0.000 0.206 129 K C 2.223 178.784 176.600 -0.064 0.000 1.047 129 K CA 1.537 57.810 56.287 -0.023 0.000 0.937 129 K CB -0.304 32.174 32.500 -0.037 0.000 0.718 129 K HN 0.344 nan 8.250 nan 0.000 0.438 130 K N -0.561 119.730 120.400 -0.181 0.000 2.009 130 K HA -0.188 4.131 4.320 -0.001 0.000 0.210 130 K C 1.879 178.278 176.600 -0.336 0.000 1.049 130 K CA 1.786 57.862 56.287 -0.353 0.000 0.929 130 K CB -0.136 31.965 32.500 -0.665 0.000 0.714 130 K HN 0.201 nan 8.250 nan 0.000 0.440 131 Y N -1.464 118.767 120.300 -0.115 0.000 2.389 131 Y HA 0.072 4.622 4.550 -0.001 0.000 0.292 131 Y C 1.537 177.185 175.900 -0.420 0.000 1.117 131 Y CA 0.521 58.446 58.100 -0.291 0.000 1.195 131 Y CB 0.215 38.448 38.460 -0.379 0.000 1.076 131 Y HN 0.013 nan 8.280 nan 0.000 0.548 132 F N -1.032 119.034 119.950 0.194 0.000 2.724 132 F HA 0.195 4.722 4.527 -0.001 0.000 0.306 132 F C 0.829 176.689 175.800 0.100 0.000 1.100 132 F CA -0.180 57.900 58.000 0.134 0.000 1.255 132 F CB -0.203 38.865 39.000 0.114 0.000 1.072 132 F HN -0.087 nan 8.300 nan 0.000 0.589 133 N N 0.620 119.444 118.700 0.206 0.000 2.721 133 N HA -0.214 4.526 4.740 -0.001 0.000 0.249 133 N C -0.170 175.445 175.510 0.176 0.000 1.072 133 N CA 0.505 53.641 53.050 0.144 0.000 0.710 133 N CB -0.943 37.617 38.487 0.122 0.000 0.993 133 N HN 0.373 nan 8.380 nan 0.000 0.547 134 A N -0.288 122.649 122.820 0.195 0.000 2.621 134 A HA 0.929 5.249 4.320 -0.001 0.000 0.267 134 A C 0.283 177.948 177.584 0.135 0.000 1.506 134 A CA 0.237 52.378 52.037 0.175 0.000 0.873 134 A CB 0.692 19.772 19.000 0.133 0.000 1.577 134 A HN 1.236 nan 8.150 nan 0.000 0.536 135 A N -1.994 120.886 122.820 0.100 0.000 2.574 135 A HA 0.589 4.908 4.320 -0.001 0.000 0.297 135 A C -1.509 176.027 177.584 -0.079 0.000 1.062 135 A CA -0.316 51.756 52.037 0.059 0.000 0.686 135 A CB 1.203 20.312 19.000 0.181 0.000 1.285 135 A HN 1.169 nan 8.150 nan 0.000 0.403 136 V N 3.241 123.131 119.914 -0.040 0.000 2.409 136 V HA 0.411 4.530 4.120 -0.001 0.000 0.291 136 V C -0.518 175.535 176.094 -0.069 0.000 1.020 136 V CA -0.837 61.425 62.300 -0.062 0.000 0.848 136 V CB 1.493 33.386 31.823 0.118 0.000 0.990 136 V HN 0.849 nan 8.190 nan 0.000 0.430 137 N N 2.066 120.614 118.700 -0.253 0.000 2.430 137 N HA 0.459 5.199 4.740 -0.001 0.000 0.298 137 N C -0.729 174.807 175.510 0.044 0.000 1.130 137 N CA -0.543 52.452 53.050 -0.092 0.000 0.894 137 N CB 1.503 39.861 38.487 -0.216 0.000 1.209 137 N HN 0.642 nan 8.380 nan 0.000 0.503 138 H N 0.504 119.581 119.070 0.013 0.000 2.551 138 H HA 0.400 4.955 4.556 -0.001 0.000 0.321 138 H C -0.483 174.791 175.328 -0.089 0.000 1.028 138 H CA -0.567 55.484 56.048 0.004 0.000 1.215 138 H CB 1.235 31.007 29.762 0.017 0.000 1.414 138 H HN 0.307 nan 8.280 nan 0.000 0.480 139 V N 1.055 120.880 119.914 -0.149 0.000 3.102 139 V HA 0.351 4.470 4.120 -0.001 0.000 0.312 139 V C -0.356 175.521 176.094 -0.363 0.000 1.135 139 V CA -1.085 61.005 62.300 -0.349 0.000 1.022 139 V CB 2.581 34.062 31.823 -0.569 0.000 1.056 139 V HN 0.578 nan 8.190 nan 0.000 0.436 140 D N 0.866 121.077 120.400 -0.315 0.000 2.473 140 D HA 0.400 5.039 4.640 -0.001 0.000 0.226 140 D C 0.307 176.515 176.300 -0.153 0.000 1.089 140 D CA -0.545 53.369 54.000 -0.143 0.000 0.883 140 D CB 0.604 41.366 40.800 -0.063 0.000 1.029 140 D HN 0.461 nan 8.370 nan 0.000 0.517 141 F N 1.348 121.312 119.950 0.023 0.000 2.546 141 F HA -0.078 4.449 4.527 -0.001 0.000 0.298 141 F C 2.464 178.294 175.800 0.049 0.000 1.120 141 F CA 0.361 58.370 58.000 0.015 0.000 1.456 141 F CB -0.039 38.995 39.000 0.057 0.000 1.088 141 F HN 0.296 nan 8.300 nan 0.000 0.572 142 S N -0.871 114.943 115.700 0.190 0.000 2.423 142 S HA -0.127 4.343 4.470 -0.001 0.000 0.231 142 S C 1.101 175.757 174.600 0.092 0.000 1.014 142 S CA 0.660 58.941 58.200 0.135 0.000 0.965 142 S CB -0.306 62.957 63.200 0.106 0.000 0.785 142 S HN 0.432 nan 8.310 nan 0.000 0.495 143 Q N 2.621 122.453 119.800 0.054 0.000 3.181 143 Q HA 0.156 4.495 4.340 -0.001 0.000 0.293 143 Q C 0.742 176.768 176.000 0.044 0.000 1.406 143 Q CA -0.436 55.384 55.803 0.030 0.000 1.026 143 Q CB -0.165 28.565 28.738 -0.013 0.000 1.630 143 Q HN 0.512 nan 8.270 nan 0.000 0.553 144 N N 0.076 118.839 118.700 0.104 0.000 2.104 144 N HA -0.171 4.569 4.740 -0.001 0.000 0.190 144 N C 1.340 176.939 175.510 0.148 0.000 1.024 144 N CA 1.299 54.456 53.050 0.178 0.000 0.853 144 N CB -0.397 38.219 38.487 0.215 0.000 1.008 144 N HN 0.212 nan 8.380 nan 0.000 0.424 145 V N 1.766 121.739 119.914 0.098 0.000 2.295 145 V HA -0.183 3.936 4.120 -0.001 0.000 0.246 145 V C 2.944 179.072 176.094 0.057 0.000 1.049 145 V CA 1.911 64.261 62.300 0.083 0.000 1.024 145 V CB -1.102 30.757 31.823 0.059 0.000 0.648 145 V HN 0.545 nan 8.190 nan 0.000 0.447 146 A N -0.448 122.387 122.820 0.025 0.000 1.858 146 A HA -0.188 4.132 4.320 -0.001 0.000 0.216 146 A C 2.467 180.039 177.584 -0.020 0.000 1.190 146 A CA 2.048 54.086 52.037 0.003 0.000 0.617 146 A CB -0.946 18.041 19.000 -0.022 0.000 0.827 146 A HN 0.322 nan 8.150 nan 0.000 0.443 147 V N -0.031 119.822 119.914 -0.102 0.000 2.392 147 V HA -0.223 3.896 4.120 -0.001 0.000 0.249 147 V C 2.775 178.717 176.094 -0.253 0.000 1.059 147 V CA 2.336 64.493 62.300 -0.239 0.000 1.051 147 V CB -0.920 30.608 31.823 -0.491 0.000 0.658 147 V HN 0.639 nan 8.190 nan 0.000 0.455 148 A N 0.357 123.098 122.820 -0.132 0.000 1.851 148 A HA -0.288 4.031 4.320 -0.001 0.000 0.216 148 A C 1.995 179.598 177.584 0.032 0.000 1.195 148 A CA 2.328 54.391 52.037 0.043 0.000 0.622 148 A CB -1.033 18.104 19.000 0.228 0.000 0.831 148 A HN 0.642 nan 8.150 nan 0.000 0.444 149 N N -1.297 117.437 118.700 0.056 0.000 2.094 149 N HA -0.216 4.524 4.740 -0.001 0.000 0.191 149 N C 1.547 177.109 175.510 0.086 0.000 1.023 149 N CA 1.867 54.958 53.050 0.068 0.000 0.857 149 N CB -0.769 37.760 38.487 0.070 0.000 1.013 149 N HN 0.671 nan 8.380 nan 0.000 0.426 150 Y N 1.213 121.490 120.300 -0.039 0.000 2.165 150 Y HA -0.062 4.488 4.550 -0.001 0.000 0.286 150 Y C 2.148 178.074 175.900 0.044 0.000 1.155 150 Y CA 1.273 59.372 58.100 -0.002 0.000 1.164 150 Y CB -0.411 38.018 38.460 -0.052 0.000 0.978 150 Y HN 0.025 nan 8.280 nan 0.000 0.513 151 I N -0.025 120.435 120.570 -0.184 0.000 2.286 151 I HA -0.307 3.862 4.170 -0.001 0.000 0.245 151 I C 1.890 177.991 176.117 -0.027 0.000 1.104 151 I CA 1.134 62.249 61.300 -0.308 0.000 1.397 151 I CB -0.436 37.239 38.000 -0.542 0.000 1.072 151 I HN 0.257 nan 8.210 nan 0.000 0.417 152 N N 1.084 119.787 118.700 0.006 0.000 2.069 152 N HA -0.233 4.506 4.740 -0.001 0.000 0.191 152 N C 1.798 177.338 175.510 0.050 0.000 1.031 152 N CA 1.293 54.375 53.050 0.054 0.000 0.852 152 N CB -0.356 38.162 38.487 0.051 0.000 1.018 152 N HN 0.165 nan 8.380 nan 0.000 0.423 153 K N 0.315 120.731 120.400 0.026 0.000 2.057 153 K HA -0.128 4.192 4.320 -0.001 0.000 0.207 153 K C 1.910 178.512 176.600 0.004 0.000 1.049 153 K CA 0.953 57.245 56.287 0.009 0.000 0.931 153 K CB -0.734 31.779 32.500 0.022 0.000 0.714 153 K HN 0.286 nan 8.250 nan 0.000 0.440 154 W N 0.219 121.401 121.300 -0.197 0.000 2.321 154 W HA -0.254 4.406 4.660 -0.000 0.000 0.306 154 W C 1.601 178.095 176.519 -0.041 0.000 1.217 154 W CA 2.015 59.268 57.345 -0.154 0.000 1.257 154 W CB -0.347 29.010 29.460 -0.172 0.000 1.145 154 W HN -0.082 nan 8.180 nan 0.000 0.509 155 V N 0.880 120.950 119.914 0.261 0.000 2.261 155 V HA -0.319 3.801 4.120 -0.001 0.000 0.246 155 V C 2.138 178.176 176.094 -0.094 0.000 1.047 155 V CA 2.450 64.825 62.300 0.125 0.000 1.015 155 V CB -1.047 30.918 31.823 0.238 0.000 0.642 155 V HN 0.207 nan 8.190 nan 0.000 0.446 156 E N 0.445 120.605 120.200 -0.066 0.000 2.097 156 E HA -0.250 4.099 4.350 -0.001 0.000 0.196 156 E C 1.990 178.487 176.600 -0.171 0.000 1.000 156 E CA 1.553 57.889 56.400 -0.108 0.000 0.804 156 E CB -0.275 29.379 29.700 -0.076 0.000 0.740 156 E HN 0.569 nan 8.360 nan 0.000 0.454 157 N N 0.588 119.158 118.700 -0.216 0.000 2.381 157 N HA -0.081 4.659 4.740 -0.001 0.000 0.182 157 N C 0.669 175.983 175.510 -0.327 0.000 1.025 157 N CA 0.861 53.763 53.050 -0.248 0.000 0.888 157 N CB -0.063 38.274 38.487 -0.251 0.000 0.965 157 N HN 0.180 nan 8.380 nan 0.000 0.438 158 N N -1.447 116.985 118.700 -0.447 0.000 2.205 158 N HA 0.048 4.788 4.740 -0.001 0.000 0.201 158 N C -0.040 175.320 175.510 -0.249 0.000 1.128 158 N CA 0.230 53.014 53.050 -0.445 0.000 0.867 158 N CB 0.701 38.693 38.487 -0.825 0.000 0.996 158 N HN 0.143 nan 8.380 nan 0.000 0.503 159 T N -2.747 111.687 114.554 -0.200 0.000 3.380 159 T HA 0.180 4.530 4.350 -0.001 0.000 0.289 159 T C 0.299 174.877 174.700 -0.203 0.000 1.012 159 T CA -0.585 61.429 62.100 -0.143 0.000 0.944 159 T CB -0.338 68.483 68.868 -0.079 0.000 1.172 159 T HN 0.007 nan 8.240 nan 0.000 0.502 160 N N 2.706 121.290 118.700 -0.194 0.000 2.701 160 N HA -0.272 4.467 4.740 -0.001 0.000 0.250 160 N C -0.303 175.080 175.510 -0.212 0.000 1.046 160 N CA 1.296 54.230 53.050 -0.194 0.000 0.733 160 N CB -2.306 36.060 38.487 -0.202 0.000 0.973 160 N HN 0.876 nan 8.380 nan 0.000 0.541 161 N N -1.965 116.620 118.700 -0.193 0.000 2.758 161 N HA -0.211 4.528 4.740 -0.001 0.000 0.248 161 N C 0.402 175.764 175.510 -0.247 0.000 1.076 161 N CA 1.013 53.955 53.050 -0.180 0.000 0.696 161 N CB -1.062 37.336 38.487 -0.148 0.000 0.979 161 N HN 0.495 nan 8.380 nan 0.000 0.550 162 L N -1.776 119.260 121.223 -0.312 0.000 2.575 162 L HA 0.232 4.572 4.340 -0.001 0.000 0.228 162 L C 0.197 176.847 176.870 -0.366 0.000 1.075 162 L CA 0.372 54.928 54.840 -0.472 0.000 0.867 162 L CB 0.509 42.063 42.059 -0.841 0.000 1.097 162 L HN 0.016 nan 8.230 nan 0.000 0.485 163 V N 1.865 121.671 119.914 -0.179 0.000 2.266 163 V HA 0.253 4.373 4.120 -0.001 0.000 0.271 163 V C -0.100 175.981 176.094 -0.022 0.000 1.032 163 V CA -0.676 61.591 62.300 -0.055 0.000 0.806 163 V CB 0.972 32.825 31.823 0.049 0.000 1.052 163 V HN 0.155 nan 8.190 nan 0.000 0.449 164 K N 2.332 122.718 120.400 -0.023 0.000 2.098 164 K HA 0.432 4.752 4.320 -0.001 0.000 0.258 164 K C -0.310 176.315 176.600 0.041 0.000 0.973 164 K CA -0.707 55.581 56.287 0.002 0.000 0.898 164 K CB 0.888 33.379 32.500 -0.015 0.000 1.057 164 K HN 0.610 nan 8.250 nan 0.000 0.447 165 D N 1.837 122.265 120.400 0.047 0.000 2.828 165 D HA -0.168 4.472 4.640 -0.001 0.000 0.241 165 D C 0.446 176.791 176.300 0.074 0.000 1.142 165 D CA 0.299 54.335 54.000 0.059 0.000 0.755 165 D CB -0.686 40.145 40.800 0.052 0.000 1.014 165 D HN 0.395 nan 8.370 nan 0.000 0.420 166 L N 0.294 121.569 121.223 0.086 0.000 2.179 166 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 166 L C 0.965 177.891 176.870 0.093 0.000 1.096 166 L CA 1.349 56.247 54.840 0.098 0.000 0.779 166 L CB 0.424 42.556 42.059 0.121 0.000 0.922 166 L HN 0.339 nan 8.230 nan 0.000 0.443 167 V N -4.383 115.595 119.914 0.107 0.000 3.130 167 V HA 0.800 4.920 4.120 -0.001 0.000 0.310 167 V C -0.478 175.686 176.094 0.118 0.000 1.158 167 V CA -0.187 62.183 62.300 0.116 0.000 1.029 167 V CB 1.360 33.338 31.823 0.258 0.000 1.057 167 V HN 0.119 nan 8.190 nan 0.000 0.436 168 S N 0.391 116.135 115.700 0.075 0.000 2.677 168 S HA 0.744 5.213 4.470 -0.001 0.000 0.304 168 S C -2.189 172.484 174.600 0.121 0.000 1.108 168 S CA -1.468 56.780 58.200 0.081 0.000 0.944 168 S CB 1.871 65.087 63.200 0.027 0.000 1.127 168 S HN 0.588 nan 8.310 nan 0.000 0.511 169 P HA -0.034 nan 4.420 nan 0.000 0.218 169 P C 0.729 178.094 177.300 0.109 0.000 1.148 169 P CA 1.064 64.267 63.100 0.172 0.000 0.822 169 P CB -0.034 31.731 31.700 0.108 0.000 0.784 170 R N -0.554 119.953 120.500 0.011 0.000 2.343 170 R HA 0.010 4.350 4.340 -0.001 0.000 0.202 170 R C 0.650 176.856 176.300 -0.158 0.000 1.023 170 R CA 0.501 56.575 56.100 -0.044 0.000 1.084 170 R CB -0.451 29.824 30.300 -0.042 0.000 0.956 170 R HN 0.269 nan 8.270 nan 0.000 0.478 171 D N -0.388 119.818 120.400 -0.324 0.000 2.379 171 D HA 0.091 4.731 4.640 -0.001 0.000 0.208 171 D C -0.324 175.392 176.300 -0.973 0.000 1.065 171 D CA 0.633 54.178 54.000 -0.759 0.000 0.848 171 D CB 0.457 40.563 40.800 -1.157 0.000 0.949 171 D HN -0.002 nan 8.370 nan 0.000 0.509 172 F N 0.830 120.784 119.950 0.007 0.000 2.603 172 F HA 0.351 4.878 4.527 -0.001 0.000 0.317 172 F C 0.044 175.859 175.800 0.026 0.000 1.066 172 F CA -1.118 56.897 58.000 0.026 0.000 0.941 172 F CB 1.870 40.993 39.000 0.206 0.000 1.291 172 F HN -0.282 nan 8.300 nan 0.000 0.472 173 D N -0.201 120.315 120.400 0.192 0.000 2.713 173 D HA 0.334 4.973 4.640 -0.001 0.000 0.306 173 D C 0.183 176.551 176.300 0.112 0.000 1.299 173 D CA -0.422 53.653 54.000 0.125 0.000 0.823 173 D CB 0.876 41.699 40.800 0.039 0.000 1.353 173 D HN 0.596 nan 8.370 nan 0.000 0.447 174 A N -0.176 122.701 122.820 0.094 0.000 2.139 174 A HA 0.161 4.481 4.320 -0.001 0.000 0.221 174 A C 1.858 179.473 177.584 0.053 0.000 1.159 174 A CA 2.743 54.848 52.037 0.113 0.000 0.662 174 A CB -0.979 18.079 19.000 0.096 0.000 0.796 174 A HN 0.745 nan 8.150 nan 0.000 0.463 175 A N -0.705 122.058 122.820 -0.095 0.000 1.865 175 A HA 0.151 4.470 4.320 -0.001 0.000 0.216 175 A C 2.277 179.447 177.584 -0.691 0.000 1.315 175 A CA 2.625 54.433 52.037 -0.382 0.000 0.605 175 A CB -1.518 17.300 19.000 -0.304 0.000 0.984 175 A HN 1.099 nan 8.150 nan 0.000 0.470 176 T N -3.136 111.086 114.554 -0.553 0.000 4.774 176 T HA -0.477 3.873 4.350 -0.001 0.000 0.209 176 T C 1.173 175.410 174.700 -0.772 0.000 1.556 176 T CA 3.212 64.896 62.100 -0.694 0.000 1.258 176 T CB -1.208 67.163 68.868 -0.829 0.000 1.317 176 T HN 1.340 nan 8.240 nan 0.000 0.618 177 Y N -0.208 119.744 120.300 -0.580 0.000 2.736 177 Y HA -0.172 4.378 4.550 -0.001 0.000 0.480 177 Y C 0.595 176.173 175.900 -0.538 0.000 1.192 177 Y CA 1.182 58.937 58.100 -0.576 0.000 2.762 177 Y CB -2.030 35.964 38.460 -0.777 0.000 1.005 177 Y HN 1.116 nan 8.280 nan 0.000 0.560 178 L N -2.117 118.860 121.223 -0.409 0.000 2.600 178 L HA 1.023 5.363 4.340 -0.001 0.000 0.257 178 L C -0.814 175.936 176.870 -0.200 0.000 1.048 178 L CA -1.476 53.238 54.840 -0.209 0.000 0.869 178 L CB 1.694 43.674 42.059 -0.131 0.000 1.482 178 L HN 0.723 nan 8.230 nan 0.000 0.408 179 A N 1.066 123.923 122.820 0.060 0.000 2.547 179 A HA 0.782 5.101 4.320 -0.001 0.000 0.297 179 A C -2.011 175.711 177.584 0.230 0.000 1.056 179 A CA -0.390 51.729 52.037 0.136 0.000 0.688 179 A CB 1.633 20.787 19.000 0.256 0.000 1.282 179 A HN 1.213 nan 8.150 nan 0.000 0.400 180 L N 2.691 124.023 121.223 0.182 0.000 2.294 180 L HA 0.756 5.095 4.340 -0.001 0.000 0.283 180 L C -1.442 175.556 176.870 0.213 0.000 1.015 180 L CA -0.400 54.548 54.840 0.179 0.000 0.831 180 L CB 0.637 42.768 42.059 0.120 0.000 1.217 180 L HN 0.549 nan 8.230 nan 0.000 0.420 181 I N 5.332 126.059 120.570 0.262 0.000 2.377 181 I HA 0.461 4.630 4.170 -0.001 0.000 0.293 181 I C -0.175 176.104 176.117 0.269 0.000 0.987 181 I CA -0.107 61.349 61.300 0.261 0.000 1.185 181 I CB 1.416 39.587 38.000 0.284 0.000 1.341 181 I HN 0.629 nan 8.210 nan 0.000 0.455 182 N N 5.374 124.237 118.700 0.273 0.000 2.581 182 N HA 0.645 5.384 4.740 -0.001 0.000 0.279 182 N C -1.782 173.869 175.510 0.235 0.000 1.124 182 N CA -0.231 53.004 53.050 0.309 0.000 0.833 182 N CB 1.665 40.381 38.487 0.382 0.000 1.338 182 N HN 0.639 nan 8.380 nan 0.000 0.533 183 A N 2.667 125.628 122.820 0.235 0.000 2.355 183 A HA 0.736 5.055 4.320 -0.001 0.000 0.317 183 A C -0.941 176.768 177.584 0.209 0.000 1.094 183 A CA -0.460 51.665 52.037 0.147 0.000 0.764 183 A CB 1.507 20.615 19.000 0.180 0.000 1.230 183 A HN 0.253 nan 8.150 nan 0.000 0.448 184 V N 2.330 122.380 119.914 0.227 0.000 2.577 184 V HA 0.401 4.521 4.120 -0.001 0.000 0.303 184 V C -1.189 175.181 176.094 0.461 0.000 1.042 184 V CA -0.493 62.026 62.300 0.365 0.000 0.872 184 V CB 1.468 33.550 31.823 0.431 0.000 0.998 184 V HN 0.870 nan 8.190 nan 0.000 0.423 185 Y N 5.150 125.637 120.300 0.311 0.000 2.409 185 Y HA 0.795 5.344 4.550 -0.001 0.000 0.339 185 Y C -1.290 174.822 175.900 0.354 0.000 1.033 185 Y CA -1.296 56.976 58.100 0.287 0.000 1.094 185 Y CB 1.891 40.423 38.460 0.120 0.000 1.210 185 Y HN 0.613 nan 8.280 nan 0.000 0.456 186 F N 6.849 126.400 119.950 -0.664 0.000 2.605 186 F HA 0.482 5.009 4.527 -0.001 0.000 0.320 186 F C -1.875 173.507 175.800 -0.697 0.000 1.159 186 F CA -0.711 57.018 58.000 -0.451 0.000 0.999 186 F CB 1.248 40.125 39.000 -0.204 0.000 1.258 186 F HN 0.419 nan 8.300 nan 0.000 0.464 187 K N 4.874 124.554 120.400 -1.200 0.000 2.716 187 K HA 0.433 4.752 4.320 -0.001 0.000 0.249 187 K C -0.884 175.139 176.600 -0.960 0.000 1.004 187 K CA -0.297 55.468 56.287 -0.871 0.000 0.968 187 K CB 1.368 33.646 32.500 -0.371 0.000 1.214 187 K HN 0.915 nan 8.250 nan 0.000 0.476 188 G N 2.271 110.391 108.800 -1.133 0.000 2.477 188 G HA2 0.277 4.236 3.960 -0.001 0.000 0.304 188 G HA3 0.277 4.236 3.960 -0.001 0.000 0.304 188 G C -0.453 174.211 174.900 -0.393 0.000 1.175 188 G CA -0.520 44.046 45.100 -0.889 0.000 0.907 188 G HN 0.529 nan 8.290 nan 0.000 0.509 189 N N -0.008 118.609 118.700 -0.138 0.000 2.434 189 N HA 0.168 4.908 4.740 -0.001 0.000 0.272 189 N C -0.144 175.512 175.510 0.243 0.000 1.040 189 N CA -0.253 52.791 53.050 -0.010 0.000 0.956 189 N CB 0.936 39.434 38.487 0.018 0.000 1.108 189 N HN 0.539 nan 8.380 nan 0.000 0.481 190 W N 1.233 122.684 121.300 0.252 0.000 2.160 190 W HA -0.006 4.653 4.660 -0.001 0.000 0.352 190 W C 1.900 178.481 176.519 0.104 0.000 1.288 190 W CA -0.528 56.896 57.345 0.132 0.000 1.279 190 W CB 0.968 30.464 29.460 0.060 0.000 1.181 190 W HN 0.533 nan 8.180 nan 0.000 0.593 191 K N 0.553 121.176 120.400 0.373 0.000 2.044 191 K HA -0.078 4.242 4.320 -0.001 0.000 0.204 191 K C 0.830 177.486 176.600 0.092 0.000 1.049 191 K CA 0.958 57.360 56.287 0.192 0.000 0.945 191 K CB -0.073 32.511 32.500 0.141 0.000 0.724 191 K HN 0.227 nan 8.250 nan 0.000 0.440 192 S N 2.077 117.796 115.700 0.033 0.000 2.434 192 S HA 0.073 4.543 4.470 -0.001 0.000 0.318 192 S C -0.668 173.858 174.600 -0.124 0.000 1.062 192 S CA -0.923 57.209 58.200 -0.113 0.000 1.116 192 S CB 0.592 63.616 63.200 -0.293 0.000 0.977 192 S HN 0.352 nan 8.310 nan 0.000 0.480 193 Q N 3.791 123.577 119.800 -0.022 0.000 2.474 193 Q HA 0.228 4.568 4.340 -0.001 0.000 0.256 193 Q C -1.079 174.850 176.000 -0.118 0.000 1.048 193 Q CA 0.149 55.995 55.803 0.071 0.000 0.922 193 Q CB 0.326 29.125 28.738 0.102 0.000 1.288 193 Q HN 0.557 nan 8.270 nan 0.000 0.484 194 F N 0.455 120.428 119.950 0.039 0.000 2.399 194 F HA 0.394 4.920 4.527 -0.001 0.000 0.334 194 F C 0.649 176.447 175.800 -0.003 0.000 1.097 194 F CA -0.953 57.022 58.000 -0.041 0.000 1.076 194 F CB 1.263 40.231 39.000 -0.052 0.000 1.162 194 F HN 0.332 nan 8.300 nan 0.000 0.495 195 R N 3.324 123.916 120.500 0.153 0.000 2.298 195 R HA 0.168 4.508 4.340 -0.001 0.000 0.310 195 R C -1.963 174.413 176.300 0.126 0.000 1.068 195 R CA -1.476 54.690 56.100 0.111 0.000 0.957 195 R CB 0.600 30.942 30.300 0.070 0.000 1.003 195 R HN 0.330 nan 8.270 nan 0.000 0.454 196 P HA -0.177 nan 4.420 nan 0.000 0.220 196 P C 0.243 177.590 177.300 0.078 0.000 1.144 196 P CA 1.283 64.431 63.100 0.080 0.000 0.800 196 P CB 0.249 31.986 31.700 0.062 0.000 0.772 197 E N -1.099 119.148 120.200 0.078 0.000 2.338 197 E HA -0.110 4.240 4.350 -0.001 0.000 0.197 197 E C 1.260 177.917 176.600 0.095 0.000 1.007 197 E CA 0.660 57.105 56.400 0.074 0.000 0.849 197 E CB -0.479 29.259 29.700 0.063 0.000 0.774 197 E HN 0.329 nan 8.360 nan 0.000 0.506 198 N N 0.100 118.875 118.700 0.125 0.000 2.282 198 N HA 0.007 4.747 4.740 -0.001 0.000 0.185 198 N C -0.177 175.433 175.510 0.166 0.000 1.099 198 N CA 0.325 53.481 53.050 0.176 0.000 0.878 198 N CB 0.629 39.283 38.487 0.279 0.000 0.993 198 N HN -0.036 nan 8.380 nan 0.000 0.481 199 T N 2.215 116.839 114.554 0.117 0.000 2.834 199 T HA 0.290 4.640 4.350 -0.001 0.000 0.298 199 T C 0.586 175.356 174.700 0.116 0.000 0.966 199 T CA 0.273 62.425 62.100 0.086 0.000 1.141 199 T CB 0.806 69.699 68.868 0.041 0.000 0.905 199 T HN 0.097 nan 8.240 nan 0.000 0.535 200 R N 1.115 121.714 120.500 0.164 0.000 2.885 200 R HA 0.581 4.921 4.340 -0.001 0.000 0.260 200 R C -0.538 175.920 176.300 0.264 0.000 1.107 200 R CA -0.992 55.228 56.100 0.201 0.000 0.978 200 R CB 0.962 31.404 30.300 0.237 0.000 1.227 200 R HN 0.429 nan 8.270 nan 0.000 0.473 201 T N 0.946 115.640 114.554 0.232 0.000 2.845 201 T HA 0.512 4.861 4.350 -0.001 0.000 0.288 201 T C -0.978 173.906 174.700 0.307 0.000 0.980 201 T CA 0.008 62.248 62.100 0.233 0.000 1.071 201 T CB 0.275 69.219 68.868 0.126 0.000 0.941 201 T HN 0.133 nan 8.240 nan 0.000 0.487 202 F N 0.784 120.781 119.950 0.077 0.000 2.588 202 F HA 0.457 4.984 4.527 -0.001 0.000 0.314 202 F C 0.214 176.073 175.800 0.098 0.000 1.069 202 F CA -1.031 57.017 58.000 0.079 0.000 0.931 202 F CB 2.169 41.230 39.000 0.102 0.000 1.260 202 F HN 0.383 nan 8.300 nan 0.000 0.465 203 S N 3.193 118.990 115.700 0.162 0.000 2.410 203 S HA 0.326 4.796 4.470 -0.001 0.000 0.304 203 S C -0.722 174.025 174.600 0.245 0.000 1.095 203 S CA -0.366 57.934 58.200 0.165 0.000 1.089 203 S CB -0.050 63.183 63.200 0.055 0.000 0.968 203 S HN 0.421 nan 8.310 nan 0.000 0.480 204 F N 3.072 123.105 119.950 0.138 0.000 2.412 204 F HA 0.315 4.841 4.527 -0.001 0.000 0.348 204 F C 0.516 176.376 175.800 0.099 0.000 1.102 204 F CA 0.018 58.098 58.000 0.134 0.000 1.196 204 F CB 0.810 39.876 39.000 0.110 0.000 1.144 204 F HN 0.307 nan 8.300 nan 0.000 0.541 205 T N 6.578 120.989 114.554 -0.238 0.000 2.893 205 T HA 0.243 4.593 4.350 -0.001 0.000 0.324 205 T C -0.231 174.415 174.700 -0.089 0.000 1.082 205 T CA -0.798 61.249 62.100 -0.088 0.000 0.983 205 T CB 0.364 69.166 68.868 -0.110 0.000 1.005 205 T HN 0.487 nan 8.240 nan 0.000 0.475 206 K N 1.704 122.175 120.400 0.119 0.000 2.286 206 K HA 0.075 4.394 4.320 -0.001 0.000 0.256 206 K C 0.537 177.152 176.600 0.024 0.000 0.999 206 K CA -0.551 55.802 56.287 0.111 0.000 0.908 206 K CB 0.467 33.023 32.500 0.093 0.000 0.981 206 K HN 0.366 nan 8.250 nan 0.000 0.500 207 D N 1.232 121.639 120.400 0.013 0.000 2.310 207 D HA -0.135 4.505 4.640 -0.001 0.000 0.212 207 D C 1.055 177.357 176.300 0.004 0.000 0.965 207 D CA 1.060 55.061 54.000 0.002 0.000 0.879 207 D CB -0.124 40.681 40.800 0.009 0.000 0.921 207 D HN 0.563 nan 8.370 nan 0.000 0.510 208 D N 0.454 120.864 120.400 0.016 0.000 2.338 208 D HA -0.107 4.533 4.640 -0.001 0.000 0.239 208 D C 0.355 176.668 176.300 0.022 0.000 1.095 208 D CA 0.267 54.282 54.000 0.025 0.000 0.888 208 D CB 0.202 41.029 40.800 0.044 0.000 0.899 208 D HN -0.182 nan 8.370 nan 0.000 0.525 209 E N -0.784 119.424 120.200 0.012 0.000 3.799 209 E HA -0.200 4.149 4.350 -0.001 0.000 0.320 209 E C -0.206 176.405 176.600 0.018 0.000 0.760 209 E CA 1.017 57.418 56.400 0.003 0.000 1.153 209 E CB -1.936 27.761 29.700 -0.005 0.000 1.589 209 E HN 0.610 nan 8.360 nan 0.000 0.448 210 S N -0.625 115.099 115.700 0.040 0.000 2.652 210 S HA 0.629 5.098 4.470 -0.001 0.000 0.270 210 S C 0.292 174.939 174.600 0.078 0.000 1.243 210 S CA -0.727 57.505 58.200 0.053 0.000 0.999 210 S CB 2.192 65.429 63.200 0.062 0.000 0.973 210 S HN 0.133 nan 8.310 nan 0.000 0.544 211 E N -0.374 119.876 120.200 0.083 0.000 2.235 211 E HA 0.676 5.026 4.350 -0.001 0.000 0.265 211 E C -0.841 175.841 176.600 0.136 0.000 0.940 211 E CA -1.148 55.322 56.400 0.115 0.000 0.819 211 E CB 2.005 31.754 29.700 0.082 0.000 1.206 211 E HN 0.669 nan 8.360 nan 0.000 0.409 212 V N -1.405 118.621 119.914 0.185 0.000 3.078 212 V HA 0.439 4.559 4.120 -0.001 0.000 0.311 212 V C -1.164 175.029 176.094 0.165 0.000 1.138 212 V CA -1.183 61.206 62.300 0.149 0.000 1.007 212 V CB 2.001 33.899 31.823 0.124 0.000 1.045 212 V HN 0.471 nan 8.190 nan 0.000 0.432 213 Q N 2.726 122.598 119.800 0.121 0.000 2.296 213 Q HA 0.664 5.003 4.340 -0.001 0.000 0.257 213 Q C -0.695 175.379 176.000 0.123 0.000 0.942 213 Q CA -0.094 55.786 55.803 0.127 0.000 0.939 213 Q CB 1.568 30.361 28.738 0.092 0.000 1.198 213 Q HN 0.890 nan 8.270 nan 0.000 0.429 214 I N -0.533 120.137 120.570 0.166 0.000 3.042 214 I HA 0.645 4.814 4.170 -0.001 0.000 0.310 214 I C -2.742 173.465 176.117 0.149 0.000 1.117 214 I CA -2.997 58.380 61.300 0.127 0.000 1.003 214 I CB 1.703 39.752 38.000 0.081 0.000 1.228 214 I HN 0.205 nan 8.210 nan 0.000 0.443 215 P HA 0.366 nan 4.420 nan 0.000 0.282 215 P C -0.967 176.361 177.300 0.047 0.000 1.262 215 P CA -0.108 63.045 63.100 0.087 0.000 0.773 215 P CB 1.021 32.754 31.700 0.055 0.000 0.879 216 M N 5.116 124.734 119.600 0.031 0.000 2.044 216 M HA 0.336 4.816 4.480 -0.001 0.000 0.333 216 M C -0.432 175.799 176.300 -0.114 0.000 1.004 216 M CA -0.613 54.607 55.300 -0.133 0.000 0.954 216 M CB 0.407 32.694 32.600 -0.521 0.000 1.468 216 M HN 0.211 nan 8.290 nan 0.000 0.414 217 M N 4.203 123.672 119.600 -0.219 0.000 2.245 217 M HA 0.178 4.658 4.480 -0.001 0.000 0.344 217 M C -0.897 175.277 176.300 -0.211 0.000 1.170 217 M CA 0.252 55.355 55.300 -0.327 0.000 1.135 217 M CB 0.175 32.241 32.600 -0.890 0.000 1.574 217 M HN 0.686 nan 8.290 nan 0.000 0.452 218 Y N 2.541 122.789 120.300 -0.085 0.000 2.512 218 Y HA 0.568 5.118 4.550 -0.001 0.000 0.348 218 Y C -1.204 174.766 175.900 0.116 0.000 0.990 218 Y CA -0.678 57.351 58.100 -0.118 0.000 1.033 218 Y CB 1.725 39.993 38.460 -0.320 0.000 1.259 218 Y HN 0.755 nan 8.280 nan 0.000 0.461 219 Q N 3.600 122.553 119.800 -1.411 0.000 2.594 219 Q HA 0.271 4.610 4.340 -0.001 0.000 0.278 219 Q C -2.193 173.104 176.000 -1.172 0.000 0.961 219 Q CA -1.111 53.887 55.803 -1.343 0.000 0.844 219 Q CB 1.782 30.049 28.738 -0.786 0.000 1.475 219 Q HN 0.782 nan 8.270 nan 0.000 0.389 220 Q N 0.973 120.314 119.800 -0.765 0.000 2.278 220 Q HA 0.707 5.046 4.340 -0.001 0.000 0.257 220 Q C -0.957 174.794 176.000 -0.415 0.000 0.928 220 Q CA -0.095 55.440 55.803 -0.445 0.000 0.932 220 Q CB 1.280 29.807 28.738 -0.351 0.000 1.221 220 Q HN 0.837 nan 8.270 nan 0.000 0.434 221 G N 2.656 111.217 108.800 -0.399 0.000 2.645 221 G HA2 0.220 4.180 3.960 -0.001 0.000 0.292 221 G HA3 0.220 4.180 3.960 -0.001 0.000 0.292 221 G C -1.520 172.710 174.900 -1.117 0.000 1.415 221 G CA -0.730 43.924 45.100 -0.743 0.000 0.785 221 G HN 0.625 nan 8.290 nan 0.000 0.483 222 E N -0.184 119.314 120.200 -1.170 0.000 2.223 222 E HA 0.472 4.821 4.350 -0.001 0.000 0.282 222 E C -1.043 174.719 176.600 -1.396 0.000 1.046 222 E CA 0.223 56.036 56.400 -0.978 0.000 0.857 222 E CB 0.653 29.988 29.700 -0.608 0.000 1.055 222 E HN 0.223 nan 8.360 nan 0.000 0.409 223 F N 1.459 121.200 119.950 -0.348 0.000 2.692 223 F HA 0.349 4.876 4.527 -0.001 0.000 0.320 223 F C -0.810 174.761 175.800 -0.382 0.000 1.123 223 F CA -1.002 56.779 58.000 -0.364 0.000 0.961 223 F CB 0.685 39.548 39.000 -0.228 0.000 1.383 223 F HN 0.273 nan 8.300 nan 0.000 0.483 224 Y N 0.844 121.279 120.300 0.226 0.000 2.327 224 Y HA 0.495 5.045 4.550 -0.001 0.000 0.336 224 Y C -0.528 175.514 175.900 0.236 0.000 1.035 224 Y CA -0.658 57.549 58.100 0.179 0.000 1.165 224 Y CB 0.801 39.340 38.460 0.131 0.000 1.181 224 Y HN 0.506 nan 8.280 nan 0.000 0.494 225 Y N 0.862 121.281 120.300 0.197 0.000 2.644 225 Y HA 0.862 5.412 4.550 -0.001 0.000 0.338 225 Y C -0.533 175.434 175.900 0.111 0.000 1.119 225 Y CA -1.099 57.076 58.100 0.125 0.000 1.060 225 Y CB 2.407 40.914 38.460 0.078 0.000 1.294 225 Y HN 0.723 nan 8.280 nan 0.000 0.472 226 G N 2.375 110.584 108.800 -0.986 0.000 2.404 226 G HA2 0.404 4.364 3.960 -0.001 0.000 0.298 226 G HA3 0.404 4.364 3.960 -0.001 0.000 0.298 226 G C -2.256 172.104 174.900 -0.900 0.000 1.577 226 G CA -1.042 43.582 45.100 -0.794 0.000 0.847 226 G HN 0.603 nan 8.290 nan 0.000 0.598 227 E N -0.311 119.385 120.200 -0.841 0.000 2.202 227 E HA 0.764 5.113 4.350 -0.001 0.000 0.272 227 E C -1.006 175.039 176.600 -0.926 0.000 0.951 227 E CA -0.530 55.501 56.400 -0.615 0.000 0.813 227 E CB 2.050 31.555 29.700 -0.324 0.000 1.151 227 E HN 0.354 nan 8.360 nan 0.000 0.398 228 F N -0.181 119.469 119.950 -0.500 0.000 2.726 228 F HA 0.519 5.046 4.527 -0.001 0.000 0.324 228 F C 0.039 175.667 175.800 -0.286 0.000 1.140 228 F CA -0.830 56.934 58.000 -0.393 0.000 0.964 228 F CB 1.859 40.610 39.000 -0.415 0.000 1.399 228 F HN 0.474 nan 8.300 nan 0.000 0.491 229 S N -1.173 114.675 115.700 0.246 0.000 2.638 229 S HA 0.668 5.137 4.470 -0.001 0.000 0.274 229 S C -1.767 173.073 174.600 0.400 0.000 1.157 229 S CA -1.031 57.381 58.200 0.353 0.000 0.826 229 S CB 2.202 65.513 63.200 0.185 0.000 1.139 229 S HN 0.507 nan 8.310 nan 0.000 0.474 230 D N 0.524 121.104 120.400 0.301 0.000 2.496 230 D HA 0.647 5.286 4.640 -0.001 0.000 0.283 230 D C 0.851 177.224 176.300 0.122 0.000 1.214 230 D CA -0.396 53.715 54.000 0.184 0.000 1.089 230 D CB -0.637 40.227 40.800 0.108 0.000 1.141 230 D HN 0.808 nan 8.370 nan 0.000 0.580 239 Y N 3.284 123.664 120.300 0.133 0.000 2.621 239 Y HA 0.804 5.354 4.550 -0.001 0.000 0.334 239 Y C -0.745 175.225 175.900 0.118 0.000 1.074 239 Y CA -1.066 57.108 58.100 0.124 0.000 1.149 239 Y CB 1.250 39.782 38.460 0.120 0.000 1.302 239 Y HN 0.587 nan 8.280 nan 0.000 0.501 240 Q N 1.248 121.138 119.800 0.150 0.000 2.312 240 Q HA 0.654 4.993 4.340 -0.001 0.000 0.263 240 Q C -1.516 174.467 176.000 -0.028 0.000 0.995 240 Q CA -1.265 54.554 55.803 0.026 0.000 0.853 240 Q CB 2.986 31.828 28.738 0.175 0.000 1.300 240 Q HN 0.605 nan 8.270 nan 0.000 0.448 241 V N 3.377 123.196 119.914 -0.158 0.000 2.409 241 V HA 0.405 4.525 4.120 -0.001 0.000 0.291 241 V C -1.002 175.057 176.094 -0.058 0.000 1.020 241 V CA -0.736 61.437 62.300 -0.212 0.000 0.848 241 V CB 1.486 33.061 31.823 -0.414 0.000 0.990 241 V HN 0.540 nan 8.190 nan 0.000 0.430 242 L N 4.480 125.697 121.223 -0.011 0.000 2.356 242 L HA 0.646 4.986 4.340 -0.001 0.000 0.277 242 L C -0.423 176.442 176.870 -0.008 0.000 0.996 242 L CA -0.004 54.872 54.840 0.060 0.000 0.822 242 L CB 1.752 43.803 42.059 -0.013 0.000 1.256 242 L HN 0.785 nan 8.230 nan 0.000 0.413 243 E N 5.812 126.063 120.200 0.085 0.000 2.186 243 E HA 0.389 4.738 4.350 -0.001 0.000 0.255 243 E C -1.333 175.353 176.600 0.144 0.000 0.881 243 E CA -0.517 55.951 56.400 0.114 0.000 0.752 243 E CB 0.927 30.741 29.700 0.190 0.000 1.176 243 E HN 0.708 nan 8.360 nan 0.000 0.421 244 I N 7.170 127.717 120.570 -0.038 0.000 2.312 244 I HA 0.272 4.442 4.170 -0.001 0.000 0.291 244 I C -2.025 174.127 176.117 0.060 0.000 1.031 244 I CA -2.163 59.059 61.300 -0.130 0.000 1.293 244 I CB 1.132 38.737 38.000 -0.658 0.000 1.403 244 I HN 0.329 nan 8.210 nan 0.000 0.484 245 P HA 0.134 nan 4.420 nan 0.000 0.280 245 P C -1.169 176.294 177.300 0.272 0.000 1.244 245 P CA -0.108 63.150 63.100 0.263 0.000 0.784 245 P CB 0.561 32.452 31.700 0.317 0.000 0.913 246 Y N 0.245 120.775 120.300 0.384 0.000 2.298 246 Y HA 0.186 4.735 4.550 -0.001 0.000 0.329 246 Y C 1.541 177.589 175.900 0.247 0.000 1.293 246 Y CA -0.110 58.196 58.100 0.343 0.000 1.388 246 Y CB 0.303 38.916 38.460 0.254 0.000 1.309 246 Y HN 0.386 nan 8.280 nan 0.000 0.544 247 E N 0.472 120.909 120.200 0.395 0.000 2.437 247 E HA 0.283 4.632 4.350 -0.001 0.000 0.263 247 E C 1.012 177.755 176.600 0.238 0.000 1.030 247 E CA 1.498 58.044 56.400 0.244 0.000 0.934 247 E CB 0.042 29.845 29.700 0.172 0.000 0.943 247 E HN 0.736 nan 8.360 nan 0.000 0.444 248 G N 3.472 112.377 108.800 0.174 0.000 2.284 248 G HA2 -0.321 3.639 3.960 -0.001 0.000 0.230 248 G HA3 -0.321 3.639 3.960 -0.001 0.000 0.230 248 G C 0.569 175.566 174.900 0.161 0.000 1.021 248 G CA 0.390 45.586 45.100 0.160 0.000 0.619 248 G HN 0.727 nan 8.290 nan 0.000 0.510 249 D N -0.560 119.958 120.400 0.195 0.000 2.792 249 D HA -0.152 4.488 4.640 -0.001 0.000 0.192 249 D C 1.354 177.748 176.300 0.158 0.000 1.007 249 D CA 1.664 55.771 54.000 0.179 0.000 1.020 249 D CB -1.104 39.780 40.800 0.140 0.000 1.089 249 D HN 0.598 nan 8.370 nan 0.000 0.438 250 E N 0.046 120.340 120.200 0.156 0.000 2.016 250 E HA -0.036 4.314 4.350 -0.001 0.000 0.190 250 E C 1.321 177.980 176.600 0.098 0.000 0.985 250 E CA 0.636 57.101 56.400 0.108 0.000 0.802 250 E CB 0.388 30.153 29.700 0.108 0.000 0.762 250 E HN 0.398 nan 8.360 nan 0.000 0.448 251 I N 1.240 121.897 120.570 0.145 0.000 2.437 251 I HA 0.174 4.343 4.170 -0.001 0.000 0.298 251 I C 0.489 176.831 176.117 0.376 0.000 0.984 251 I CA -0.492 60.896 61.300 0.148 0.000 1.214 251 I CB 1.261 39.254 38.000 -0.012 0.000 1.365 251 I HN -0.085 nan 8.210 nan 0.000 0.469 252 S N 6.030 121.927 115.700 0.328 0.000 2.556 252 S HA 0.665 5.134 4.470 -0.001 0.000 0.271 252 S C -0.860 173.899 174.600 0.263 0.000 1.135 252 S CA -0.914 57.471 58.200 0.308 0.000 0.858 252 S CB 2.327 65.647 63.200 0.199 0.000 1.114 252 S HN 0.609 nan 8.310 nan 0.000 0.468 253 M N 3.385 123.099 119.600 0.190 0.000 2.180 253 M HA 0.531 5.011 4.480 -0.001 0.000 0.350 253 M C -1.231 175.130 176.300 0.102 0.000 1.125 253 M CA -0.624 54.791 55.300 0.191 0.000 1.031 253 M CB 1.352 34.098 32.600 0.244 0.000 1.623 253 M HN 0.935 nan 8.290 nan 0.000 0.451 254 M N 6.558 126.214 119.600 0.093 0.000 2.060 254 M HA 0.398 4.877 4.480 -0.001 0.000 0.342 254 M C -1.619 174.680 176.300 -0.002 0.000 1.031 254 M CA -0.599 54.721 55.300 0.033 0.000 0.981 254 M CB 0.536 33.165 32.600 0.047 0.000 1.376 254 M HN 0.722 nan 8.290 nan 0.000 0.397 255 L N 4.149 125.351 121.223 -0.035 0.000 2.461 255 L HA 0.320 4.660 4.340 -0.001 0.000 0.272 255 L C -0.580 176.246 176.870 -0.074 0.000 1.197 255 L CA -0.383 54.432 54.840 -0.042 0.000 0.836 255 L CB 0.935 42.882 42.059 -0.187 0.000 1.105 255 L HN 0.390 nan 8.230 nan 0.000 0.477 256 V N 4.133 124.068 119.914 0.036 0.000 2.525 256 V HA 0.425 4.544 4.120 -0.001 0.000 0.299 256 V C -0.736 175.448 176.094 0.150 0.000 1.034 256 V CA -0.501 61.809 62.300 0.017 0.000 0.863 256 V CB 1.965 33.803 31.823 0.026 0.000 0.999 256 V HN 0.424 nan 8.190 nan 0.000 0.423 257 L N 5.562 126.864 121.223 0.132 0.000 2.409 257 L HA 0.795 5.134 4.340 -0.001 0.000 0.272 257 L C 0.252 177.257 176.870 0.225 0.000 0.980 257 L CA 0.171 55.090 54.840 0.132 0.000 0.826 257 L CB 2.291 44.353 42.059 0.005 0.000 1.268 257 L HN 0.755 nan 8.230 nan 0.000 0.407 258 S N 3.937 119.801 115.700 0.273 0.000 2.681 258 S HA 0.676 5.145 4.470 -0.001 0.000 0.270 258 S C 0.408 175.209 174.600 0.335 0.000 1.209 258 S CA -0.634 57.742 58.200 0.293 0.000 0.988 258 S CB 0.977 64.311 63.200 0.224 0.000 1.006 258 S HN 0.769 nan 8.310 nan 0.000 0.558 259 R N -0.130 120.493 120.500 0.205 0.000 2.822 259 R HA 0.118 4.457 4.340 -0.001 0.000 0.277 259 R C 1.826 178.114 176.300 -0.019 0.000 1.102 259 R CA 0.133 56.309 56.100 0.127 0.000 1.207 259 R CB 0.070 30.421 30.300 0.085 0.000 1.139 259 R HN 0.907 nan 8.270 nan 0.000 0.557 260 Q N 0.236 119.992 119.800 -0.074 0.000 2.224 260 Q HA -0.172 4.168 4.340 -0.001 0.000 0.203 260 Q C 0.299 176.134 176.000 -0.276 0.000 0.970 260 Q CA 1.697 57.349 55.803 -0.250 0.000 0.865 260 Q CB 0.342 29.014 28.738 -0.110 0.000 0.922 260 Q HN 0.520 nan 8.270 nan 0.000 0.445 261 E N -0.824 119.289 120.200 -0.144 0.000 2.474 261 E HA 0.123 4.473 4.350 -0.001 0.000 0.195 261 E C -0.820 175.728 176.600 -0.087 0.000 1.039 261 E CA -0.065 56.272 56.400 -0.105 0.000 0.881 261 E CB 1.289 30.957 29.700 -0.054 0.000 0.970 261 E HN -0.021 nan 8.360 nan 0.000 0.486 262 V N 3.324 123.182 119.914 -0.093 0.000 2.448 262 V HA 0.318 4.437 4.120 -0.001 0.000 0.295 262 V C -2.261 173.818 176.094 -0.025 0.000 1.025 262 V CA -2.303 59.977 62.300 -0.033 0.000 0.859 262 V CB 1.713 33.548 31.823 0.020 0.000 0.988 262 V HN 0.014 nan 8.190 nan 0.000 0.431 263 P HA 0.096 nan 4.420 nan 0.000 0.271 263 P C 0.730 178.064 177.300 0.057 0.000 1.218 263 P CA -0.317 62.795 63.100 0.019 0.000 0.780 263 P CB 1.293 32.998 31.700 0.009 0.000 0.901 264 L N 3.831 125.111 121.223 0.095 0.000 2.081 264 L HA -0.201 4.139 4.340 -0.001 0.000 0.212 264 L C 2.366 179.273 176.870 0.061 0.000 1.080 264 L CA 2.425 57.329 54.840 0.106 0.000 0.754 264 L CB -1.681 40.456 42.059 0.130 0.000 0.893 264 L HN 0.487 nan 8.230 nan 0.000 0.433 265 A N -1.702 121.145 122.820 0.045 0.000 2.032 265 A HA -0.248 4.071 4.320 -0.001 0.000 0.221 265 A C 2.209 179.797 177.584 0.008 0.000 1.165 265 A CA 2.255 54.306 52.037 0.024 0.000 0.645 265 A CB -1.204 17.804 19.000 0.014 0.000 0.807 265 A HN 0.562 nan 8.150 nan 0.000 0.453 266 T N -0.177 114.382 114.554 0.009 0.000 2.962 266 T HA 0.028 4.378 4.350 -0.001 0.000 0.270 266 T C 1.603 176.287 174.700 -0.027 0.000 1.088 266 T CA 1.174 63.272 62.100 -0.002 0.000 1.127 266 T CB -0.165 68.708 68.868 0.009 0.000 0.883 266 T HN 0.414 nan 8.240 nan 0.000 0.493 267 L N -0.023 121.172 121.223 -0.045 0.000 2.316 267 L HA 0.151 4.490 4.340 -0.001 0.000 0.207 267 L C 2.572 179.373 176.870 -0.116 0.000 1.070 267 L CA 0.592 55.355 54.840 -0.128 0.000 0.820 267 L CB -0.322 41.623 42.059 -0.189 0.000 0.992 267 L HN 0.199 nan 8.230 nan 0.000 0.466 268 E N 0.707 120.871 120.200 -0.060 0.000 2.113 268 E HA -0.273 4.077 4.350 -0.001 0.000 0.210 268 E C -0.749 175.816 176.600 -0.058 0.000 1.040 268 E CA 1.906 58.281 56.400 -0.041 0.000 0.847 268 E CB -1.067 28.665 29.700 0.054 0.000 0.755 268 E HN 0.403 nan 8.360 nan 0.000 0.459 269 P HA -0.176 nan 4.420 nan 0.000 0.219 269 P C 1.079 178.335 177.300 -0.073 0.000 1.144 269 P CA 1.134 64.207 63.100 -0.046 0.000 0.806 269 P CB -0.033 31.645 31.700 -0.037 0.000 0.771 270 L N -1.709 119.452 121.223 -0.102 0.000 2.376 270 L HA -0.040 4.300 4.340 -0.001 0.000 0.219 270 L C 0.506 177.265 176.870 -0.185 0.000 1.133 270 L CA 0.191 54.957 54.840 -0.123 0.000 0.816 270 L CB -0.501 41.484 42.059 -0.125 0.000 0.933 270 L HN -0.220 nan 8.230 nan 0.000 0.449 271 V N 2.130 121.919 119.914 -0.208 0.000 2.442 271 V HA -0.055 4.065 4.120 -0.001 0.000 0.272 271 V C 0.309 176.279 176.094 -0.207 0.000 0.989 271 V CA 0.812 62.940 62.300 -0.286 0.000 1.123 271 V CB -0.731 30.880 31.823 -0.354 0.000 1.008 271 V HN 0.227 nan 8.190 nan 0.000 0.469 272 K N 2.989 123.233 120.400 -0.260 0.000 2.477 272 K HA 0.643 4.963 4.320 -0.001 0.000 0.255 272 K C 1.126 177.606 176.600 -0.200 0.000 0.952 272 K CA -0.321 55.857 56.287 -0.181 0.000 0.826 272 K CB 2.324 34.731 32.500 -0.154 0.000 1.331 272 K HN 0.402 nan 8.250 nan 0.000 0.437 273 A N 1.364 124.111 122.820 -0.122 0.000 1.940 273 A HA -0.295 4.025 4.320 -0.001 0.000 0.221 273 A C 2.049 179.550 177.584 -0.138 0.000 1.190 273 A CA 2.193 54.170 52.037 -0.100 0.000 0.647 273 A CB -0.486 18.480 19.000 -0.057 0.000 0.821 273 A HN 0.845 nan 8.150 nan 0.000 0.457 274 Q N -1.434 118.277 119.800 -0.149 0.000 2.079 274 Q HA -0.118 4.222 4.340 -0.001 0.000 0.200 274 Q C 2.000 177.849 176.000 -0.252 0.000 0.974 274 Q CA 1.487 57.199 55.803 -0.152 0.000 0.840 274 Q CB -0.206 28.463 28.738 -0.115 0.000 0.898 274 Q HN 0.562 nan 8.270 nan 0.000 0.430 275 L N -0.249 120.741 121.223 -0.389 0.000 2.056 275 L HA -0.115 4.225 4.340 -0.001 0.000 0.207 275 L C 2.078 178.324 176.870 -1.040 0.000 1.078 275 L CA 1.378 55.801 54.840 -0.695 0.000 0.749 275 L CB -0.596 40.981 42.059 -0.803 0.000 0.901 275 L HN 0.091 nan 8.230 nan 0.000 0.433 276 V N -0.006 119.427 119.914 -0.801 0.000 2.332 276 V HA -0.297 3.823 4.120 -0.001 0.000 0.248 276 V C 2.661 178.654 176.094 -0.169 0.000 1.055 276 V CA 1.865 63.905 62.300 -0.433 0.000 1.038 276 V CB -0.742 30.998 31.823 -0.138 0.000 0.651 276 V HN 0.577 nan 8.190 nan 0.000 0.450 277 E N 0.845 120.946 120.200 -0.166 0.000 2.085 277 E HA -0.279 4.071 4.350 -0.001 0.000 0.194 277 E C 2.173 178.743 176.600 -0.051 0.000 0.994 277 E CA 2.146 58.503 56.400 -0.072 0.000 0.801 277 E CB -0.389 29.271 29.700 -0.067 0.000 0.743 277 E HN 0.702 nan 8.360 nan 0.000 0.453 278 E N -0.812 119.309 120.200 -0.132 0.000 2.031 278 E HA -0.202 4.148 4.350 -0.001 0.000 0.193 278 E C 1.770 178.422 176.600 0.086 0.000 0.994 278 E CA 1.496 57.867 56.400 -0.050 0.000 0.800 278 E CB -0.366 29.260 29.700 -0.123 0.000 0.752 278 E HN 0.382 nan 8.360 nan 0.000 0.447 279 W N 0.587 121.826 121.300 -0.101 0.000 2.304 279 W HA -0.206 4.453 4.660 -0.000 0.000 0.315 279 W C 2.563 179.090 176.519 0.014 0.000 1.233 279 W CA 1.293 58.543 57.345 -0.159 0.000 1.261 279 W CB -1.399 27.924 29.460 -0.228 0.000 1.150 279 W HN 0.301 nan 8.180 nan 0.000 0.494 280 A N 0.388 123.351 122.820 0.238 0.000 1.883 280 A HA -0.257 4.062 4.320 -0.001 0.000 0.217 280 A C 1.878 179.522 177.584 0.099 0.000 1.186 280 A CA 2.194 54.309 52.037 0.130 0.000 0.624 280 A CB -1.242 17.806 19.000 0.080 0.000 0.822 280 A HN 0.357 nan 8.150 nan 0.000 0.444 281 N N -0.452 118.309 118.700 0.102 0.000 2.453 281 N HA -0.035 4.705 4.740 -0.001 0.000 0.183 281 N C 1.454 177.040 175.510 0.128 0.000 1.041 281 N CA 1.262 54.365 53.050 0.090 0.000 0.900 281 N CB 0.028 38.559 38.487 0.073 0.000 0.961 281 N HN 0.432 nan 8.380 nan 0.000 0.443 282 S N -0.833 114.992 115.700 0.210 0.000 2.497 282 S HA 0.115 4.585 4.470 -0.001 0.000 0.218 282 S C 0.539 175.275 174.600 0.226 0.000 1.023 282 S CA -0.354 58.000 58.200 0.258 0.000 0.913 282 S CB 0.335 63.832 63.200 0.495 0.000 0.800 282 S HN 0.198 nan 8.310 nan 0.000 0.505 283 V N 1.214 121.275 119.914 0.246 0.000 2.924 283 V HA 0.482 4.601 4.120 -0.001 0.000 0.305 283 V C -0.152 176.072 176.094 0.217 0.000 1.073 283 V CA -0.539 61.895 62.300 0.224 0.000 1.098 283 V CB 0.733 32.708 31.823 0.253 0.000 1.000 283 V HN 0.112 nan 8.190 nan 0.000 0.484 284 K N 2.382 122.920 120.400 0.230 0.000 2.426 284 K HA 0.388 4.708 4.320 -0.001 0.000 0.254 284 K C -0.539 176.200 176.600 0.233 0.000 0.936 284 K CA -0.824 55.590 56.287 0.212 0.000 0.801 284 K CB 1.755 34.330 32.500 0.125 0.000 1.139 284 K HN 0.919 nan 8.250 nan 0.000 0.424 285 K N 3.809 124.338 120.400 0.215 0.000 2.412 285 K HA -0.005 4.314 4.320 -0.001 0.000 0.281 285 K C -0.821 175.748 176.600 -0.051 0.000 1.027 285 K CA 0.610 56.865 56.287 -0.054 0.000 0.989 285 K CB 0.482 32.907 32.500 -0.124 0.000 0.935 285 K HN 0.738 nan 8.250 nan 0.000 0.475 286 Q N 1.944 121.677 119.800 -0.111 0.000 2.874 286 Q HA 0.224 4.564 4.340 -0.001 0.000 0.303 286 Q C -1.483 174.435 176.000 -0.138 0.000 0.876 286 Q CA -1.288 54.470 55.803 -0.075 0.000 0.765 286 Q CB 0.425 29.175 28.738 0.019 0.000 1.478 286 Q HN 0.340 nan 8.270 nan 0.000 0.434 287 K N 0.770 121.111 120.400 -0.098 0.000 2.368 287 K HA 0.481 4.801 4.320 -0.001 0.000 0.282 287 K C -1.067 175.467 176.600 -0.109 0.000 1.035 287 K CA -0.097 56.096 56.287 -0.158 0.000 0.973 287 K CB 1.117 33.559 32.500 -0.097 0.000 0.957 287 K HN 0.353 nan 8.250 nan 0.000 0.474 288 V N 3.159 122.983 119.914 -0.150 0.000 2.733 288 V HA 0.115 4.234 4.120 -0.001 0.000 0.306 288 V C -0.580 175.456 176.094 -0.096 0.000 1.084 288 V CA -1.031 61.215 62.300 -0.091 0.000 0.905 288 V CB 1.988 33.808 31.823 -0.004 0.000 1.010 288 V HN 0.689 nan 8.190 nan 0.000 0.424 289 E N 2.943 123.079 120.200 -0.105 0.000 2.180 289 E HA 0.410 4.759 4.350 -0.001 0.000 0.283 289 E C -0.995 175.579 176.600 -0.045 0.000 1.061 289 E CA -0.074 56.295 56.400 -0.052 0.000 0.861 289 E CB 1.988 31.754 29.700 0.111 0.000 1.056 289 E HN 0.412 nan 8.360 nan 0.000 0.407 290 V N 4.527 124.321 119.914 -0.200 0.000 2.540 290 V HA 0.299 4.419 4.120 -0.001 0.000 0.302 290 V C -0.965 174.987 176.094 -0.237 0.000 1.035 290 V CA -0.826 61.357 62.300 -0.197 0.000 0.873 290 V CB 1.030 32.618 31.823 -0.391 0.000 0.992 290 V HN 0.525 nan 8.190 nan 0.000 0.428 291 Y N 4.979 125.244 120.300 -0.058 0.000 2.388 291 Y HA 0.672 5.221 4.550 -0.001 0.000 0.328 291 Y C -0.361 175.393 175.900 -0.243 0.000 0.963 291 Y CA -0.623 57.403 58.100 -0.124 0.000 1.240 291 Y CB 1.767 40.102 38.460 -0.208 0.000 1.118 291 Y HN 0.502 nan 8.280 nan 0.000 0.484 292 L N 6.947 128.046 121.223 -0.206 0.000 2.341 292 L HA 0.723 5.063 4.340 -0.001 0.000 0.278 292 L C -2.853 173.897 176.870 -0.199 0.000 1.005 292 L CA -2.795 51.898 54.840 -0.246 0.000 0.818 292 L CB 1.681 43.546 42.059 -0.324 0.000 1.259 292 L HN 0.222 nan 8.230 nan 0.000 0.418 293 P HA 0.171 nan 4.420 nan 0.000 0.271 293 P C -1.210 176.178 177.300 0.147 0.000 1.216 293 P CA -0.291 62.848 63.100 0.065 0.000 0.776 293 P CB 0.435 32.224 31.700 0.148 0.000 0.881 294 R N 3.827 124.341 120.500 0.023 0.000 2.370 294 R HA 0.379 4.718 4.340 -0.001 0.000 0.309 294 R C -0.472 175.896 176.300 0.114 0.000 1.059 294 R CA 0.253 56.348 56.100 -0.009 0.000 0.981 294 R CB -0.512 29.764 30.300 -0.040 0.000 0.972 294 R HN 0.530 nan 8.270 nan 0.000 0.437 295 F N -0.443 119.468 119.950 -0.064 0.000 2.831 295 F HA 0.561 5.087 4.527 -0.001 0.000 0.318 295 F C -1.519 174.218 175.800 -0.104 0.000 1.174 295 F CA -0.944 57.009 58.000 -0.078 0.000 0.918 295 F CB 1.755 40.705 39.000 -0.082 0.000 1.364 295 F HN 0.230 nan 8.300 nan 0.000 0.475 296 T N 1.222 115.849 114.554 0.123 0.000 2.912 296 T HA 0.697 5.047 4.350 -0.001 0.000 0.299 296 T C -1.954 172.747 174.700 0.002 0.000 1.052 296 T CA -0.548 61.485 62.100 -0.112 0.000 0.996 296 T CB 2.018 70.803 68.868 -0.138 0.000 1.070 296 T HN 0.668 nan 8.240 nan 0.000 0.465 297 V N 3.246 123.039 119.914 -0.201 0.000 2.623 297 V HA 0.595 4.715 4.120 -0.001 0.000 0.304 297 V C -0.566 175.374 176.094 -0.256 0.000 1.054 297 V CA -0.662 61.581 62.300 -0.095 0.000 0.882 297 V CB 1.937 33.827 31.823 0.111 0.000 1.002 297 V HN 0.882 nan 8.190 nan 0.000 0.424 298 E N 3.326 123.448 120.200 -0.130 0.000 2.292 298 E HA 0.653 5.002 4.350 -0.001 0.000 0.272 298 E C -1.670 174.975 176.600 0.075 0.000 0.881 298 E CA -0.679 55.690 56.400 -0.051 0.000 0.754 298 E CB 1.973 31.666 29.700 -0.013 0.000 1.201 298 E HN 0.484 nan 8.360 nan 0.000 0.425 299 Q N 2.785 122.666 119.800 0.135 0.000 2.371 299 Q HA 0.180 4.519 4.340 -0.001 0.000 0.244 299 Q C -1.927 174.177 176.000 0.174 0.000 0.882 299 Q CA -0.331 55.565 55.803 0.155 0.000 0.866 299 Q CB 1.779 30.631 28.738 0.189 0.000 1.399 299 Q HN 0.738 nan 8.270 nan 0.000 0.432 300 E N 4.934 125.214 120.200 0.134 0.000 2.156 300 E HA 0.600 4.949 4.350 -0.001 0.000 0.279 300 E C -0.453 176.214 176.600 0.112 0.000 0.965 300 E CA -0.482 55.991 56.400 0.122 0.000 0.789 300 E CB 0.811 30.567 29.700 0.095 0.000 1.098 300 E HN 0.660 nan 8.360 nan 0.000 0.397 301 I N 0.488 121.139 120.570 0.136 0.000 2.846 301 I HA 0.487 4.657 4.170 -0.001 0.000 0.307 301 I C -0.545 175.615 176.117 0.071 0.000 1.053 301 I CA -1.250 60.106 61.300 0.093 0.000 1.050 301 I CB 1.876 39.931 38.000 0.092 0.000 1.239 301 I HN 0.371 nan 8.210 nan 0.000 0.439 302 D N 3.381 123.792 120.400 0.019 0.000 2.344 302 D HA 0.101 4.740 4.640 -0.001 0.000 0.253 302 D C 0.670 176.965 176.300 -0.010 0.000 1.255 302 D CA -0.318 53.677 54.000 -0.008 0.000 0.894 302 D CB 1.031 41.799 40.800 -0.053 0.000 1.067 302 D HN 0.606 nan 8.370 nan 0.000 0.492 303 L N 4.197 125.442 121.223 0.037 0.000 2.450 303 L HA -0.041 4.298 4.340 -0.001 0.000 0.224 303 L C 1.913 178.783 176.870 -0.000 0.000 1.149 303 L CA 1.491 56.361 54.840 0.050 0.000 0.816 303 L CB -0.390 41.745 42.059 0.127 0.000 0.932 303 L HN 0.489 nan 8.230 nan 0.000 0.449 304 K N -0.817 119.523 120.400 -0.101 0.000 2.211 304 K HA -0.135 4.184 4.320 -0.001 0.000 0.201 304 K C 1.659 178.076 176.600 -0.306 0.000 1.052 304 K CA 1.024 57.112 56.287 -0.332 0.000 0.973 304 K CB 0.153 32.189 32.500 -0.774 0.000 0.766 304 K HN 0.416 nan 8.250 nan 0.000 0.466 305 D N 0.152 120.428 120.400 -0.207 0.000 2.104 305 D HA -0.162 4.477 4.640 -0.001 0.000 0.194 305 D C 1.692 177.916 176.300 -0.127 0.000 0.994 305 D CA 1.515 55.418 54.000 -0.162 0.000 0.830 305 D CB 0.175 40.901 40.800 -0.123 0.000 0.959 305 D HN -0.056 nan 8.370 nan 0.000 0.452 306 V N 0.497 120.342 119.914 -0.114 0.000 2.261 306 V HA -0.229 3.890 4.120 -0.001 0.000 0.246 306 V C 2.740 178.794 176.094 -0.066 0.000 1.047 306 V CA 1.551 63.785 62.300 -0.109 0.000 1.015 306 V CB -0.759 30.976 31.823 -0.145 0.000 0.642 306 V HN 0.333 nan 8.190 nan 0.000 0.446 307 L N -0.455 120.757 121.223 -0.018 0.000 2.013 307 L HA -0.249 4.091 4.340 -0.001 0.000 0.212 307 L C 2.697 179.618 176.870 0.086 0.000 1.073 307 L CA 1.879 56.766 54.840 0.079 0.000 0.753 307 L CB -0.621 41.593 42.059 0.258 0.000 0.890 307 L HN 0.316 nan 8.230 nan 0.000 0.432 308 K N -0.266 120.147 120.400 0.021 0.000 2.057 308 K HA -0.142 4.178 4.320 -0.001 0.000 0.207 308 K C 2.157 178.756 176.600 -0.001 0.000 1.049 308 K CA 1.346 57.642 56.287 0.015 0.000 0.931 308 K CB -0.249 32.196 32.500 -0.091 0.000 0.714 308 K HN 0.300 nan 8.250 nan 0.000 0.440 309 A N 1.212 124.013 122.820 -0.032 0.000 2.015 309 A HA -0.073 4.247 4.320 -0.001 0.000 0.219 309 A C 1.834 179.407 177.584 -0.017 0.000 1.163 309 A CA 1.029 53.046 52.037 -0.033 0.000 0.646 309 A CB -0.387 18.580 19.000 -0.055 0.000 0.806 309 A HN 0.173 nan 8.150 nan 0.000 0.448 310 L N -1.427 119.792 121.223 -0.007 0.000 2.591 310 L HA 0.189 4.528 4.340 -0.001 0.000 0.228 310 L C 1.606 178.491 176.870 0.024 0.000 1.133 310 L CA 0.609 55.449 54.840 0.001 0.000 0.880 310 L CB -0.297 41.761 42.059 -0.003 0.000 1.033 310 L HN 0.591 nan 8.230 nan 0.000 0.450 311 G N 0.699 109.521 108.800 0.036 0.000 2.179 311 G HA2 -0.235 3.725 3.960 -0.001 0.000 0.220 311 G HA3 -0.235 3.725 3.960 -0.001 0.000 0.220 311 G C 0.184 175.126 174.900 0.070 0.000 0.990 311 G CA -0.480 44.652 45.100 0.052 0.000 0.646 311 G HN 0.255 nan 8.290 nan 0.000 0.517 312 I N 2.420 123.049 120.570 0.097 0.000 2.307 312 I HA 0.437 4.607 4.170 -0.001 0.000 0.289 312 I C 1.339 177.617 176.117 0.268 0.000 1.021 312 I CA 0.433 61.812 61.300 0.132 0.000 1.224 312 I CB 1.416 39.485 38.000 0.114 0.000 1.376 312 I HN 0.260 nan 8.210 nan 0.000 0.470 313 T N -0.510 114.172 114.554 0.213 0.000 3.029 313 T HA 0.117 4.467 4.350 -0.001 0.000 0.256 313 T C 1.204 176.040 174.700 0.228 0.000 0.914 313 T CA -0.273 62.026 62.100 0.332 0.000 0.880 313 T CB 0.222 69.186 68.868 0.160 0.000 1.246 313 T HN 0.324 nan 8.240 nan 0.000 0.523 314 E N 2.142 122.382 120.200 0.067 0.000 2.058 314 E HA -0.086 4.263 4.350 -0.001 0.000 0.194 314 E C 2.052 178.621 176.600 -0.053 0.000 0.997 314 E CA 1.776 58.178 56.400 0.003 0.000 0.801 314 E CB -0.386 29.302 29.700 -0.020 0.000 0.746 314 E HN 0.768 nan 8.360 nan 0.000 0.450 315 I N -1.421 119.026 120.570 -0.206 0.000 3.083 315 I HA -0.068 4.101 4.170 -0.001 0.000 0.273 315 I C 0.790 176.712 176.117 -0.325 0.000 1.297 315 I CA 0.689 61.800 61.300 -0.315 0.000 1.452 315 I CB -0.618 37.104 38.000 -0.463 0.000 1.078 315 I HN -0.224 nan 8.210 nan 0.000 0.484 319 D N 2.345 122.639 120.400 -0.176 0.000 2.336 319 D HA 0.097 4.737 4.640 -0.001 0.000 0.229 319 D C 0.450 176.721 176.300 -0.049 0.000 1.061 319 D CA 0.263 54.212 54.000 -0.086 0.000 0.875 319 D CB 0.063 40.824 40.800 -0.066 0.000 0.904 319 D HN 0.261 nan 8.370 nan 0.000 0.525 320 A N 1.153 123.949 122.820 -0.040 0.000 2.520 320 A HA 0.042 4.362 4.320 -0.001 0.000 0.235 320 A C 0.604 178.182 177.584 -0.010 0.000 1.065 320 A CA -0.138 51.890 52.037 -0.014 0.000 0.764 320 A CB 0.148 19.153 19.000 0.009 0.000 1.002 320 A HN 0.038 nan 8.150 nan 0.000 0.502 321 N N 2.159 120.847 118.700 -0.020 0.000 2.558 321 N HA 0.300 5.039 4.740 -0.001 0.000 0.233 321 N C -0.568 174.921 175.510 -0.036 0.000 1.038 321 N CA -0.164 52.873 53.050 -0.021 0.000 0.934 321 N CB 0.136 38.614 38.487 -0.015 0.000 1.175 321 N HN 0.539 nan 8.380 nan 0.000 0.512 322 L N 2.657 123.850 121.223 -0.050 0.000 3.062 322 L HA 0.157 4.496 4.340 -0.001 0.000 0.255 322 L C 1.540 178.340 176.870 -0.117 0.000 1.274 322 L CA -0.092 54.689 54.840 -0.097 0.000 1.047 322 L CB -0.018 41.966 42.059 -0.125 0.000 1.402 322 L HN 0.498 nan 8.230 nan 0.000 0.550 323 T N -4.370 110.142 114.554 -0.070 0.000 3.155 323 T HA -0.049 4.300 4.350 -0.001 0.000 0.264 323 T C 1.792 176.450 174.700 -0.070 0.000 1.160 323 T CA 0.805 62.868 62.100 -0.063 0.000 1.075 323 T CB 0.053 68.903 68.868 -0.030 0.000 0.921 323 T HN 0.410 nan 8.240 nan 0.000 0.533 324 G N 1.848 110.599 108.800 -0.082 0.000 2.408 324 G HA2 0.096 4.055 3.960 -0.001 0.000 0.215 324 G HA3 0.096 4.055 3.960 -0.001 0.000 0.215 324 G C 1.349 176.155 174.900 -0.157 0.000 1.156 324 G CA 0.822 45.897 45.100 -0.043 0.000 0.793 324 G HN 0.611 nan 8.290 nan 0.000 0.535 325 L N 0.245 121.197 121.223 -0.451 0.000 2.408 325 L HA 0.442 4.781 4.340 -0.001 0.000 0.215 325 L C 0.679 177.304 176.870 -0.409 0.000 1.081 325 L CA 1.093 55.401 54.840 -0.887 0.000 0.840 325 L CB 0.289 41.430 42.059 -1.530 0.000 1.002 325 L HN 0.222 nan 8.230 nan 0.000 0.468 326 S N -1.739 113.801 115.700 -0.268 0.000 2.565 326 S HA 0.363 4.832 4.470 -0.001 0.000 0.269 326 S C -0.051 174.480 174.600 -0.115 0.000 1.153 326 S CA -0.105 57.978 58.200 -0.195 0.000 0.835 326 S CB 0.885 64.014 63.200 -0.118 0.000 1.122 326 S HN 0.290 nan 8.310 nan 0.000 0.462 327 D N 0.929 121.272 120.400 -0.095 0.000 2.224 327 D HA -0.079 4.560 4.640 -0.001 0.000 0.205 327 D C 0.546 176.849 176.300 0.004 0.000 0.965 327 D CA 0.524 54.506 54.000 -0.030 0.000 0.852 327 D CB -0.645 40.156 40.800 0.003 0.000 0.947 327 D HN 0.500 nan 8.370 nan 0.000 0.494 328 N N 1.504 120.224 118.700 0.034 0.000 2.365 328 N HA -0.102 4.638 4.740 -0.001 0.000 0.265 328 N C 0.650 176.202 175.510 0.071 0.000 1.288 328 N CA 0.113 53.212 53.050 0.081 0.000 0.869 328 N CB 0.578 39.199 38.487 0.224 0.000 1.071 328 N HN 0.014 nan 8.380 nan 0.000 0.480 329 K N 2.337 122.766 120.400 0.049 0.000 2.585 329 K HA -0.070 4.249 4.320 -0.001 0.000 0.194 329 K C 0.312 176.950 176.600 0.063 0.000 1.037 329 K CA 0.709 57.021 56.287 0.040 0.000 0.964 329 K CB 0.394 32.910 32.500 0.026 0.000 0.787 329 K HN 0.617 nan 8.250 nan 0.000 0.488 330 E N -0.214 120.049 120.200 0.105 0.000 2.541 330 E HA 0.185 4.535 4.350 -0.001 0.000 0.219 330 E C 0.379 177.040 176.600 0.102 0.000 0.922 330 E CA -0.110 56.364 56.400 0.123 0.000 1.095 330 E CB 0.758 30.531 29.700 0.122 0.000 1.112 330 E HN 0.183 nan 8.360 nan 0.000 0.516 331 I N 2.278 122.849 120.570 0.001 0.000 2.529 331 I HA 0.116 4.285 4.170 -0.001 0.000 0.284 331 I C -0.014 176.194 176.117 0.151 0.000 1.082 331 I CA 0.004 61.208 61.300 -0.162 0.000 1.406 331 I CB 0.180 37.989 38.000 -0.319 0.000 1.405 331 I HN -0.138 nan 8.210 nan 0.000 0.548 332 F N 4.940 124.854 119.950 -0.060 0.000 2.686 332 F HA 0.537 5.064 4.527 -0.000 0.000 0.311 332 F C -1.463 174.310 175.800 -0.045 0.000 1.128 332 F CA -1.469 56.506 58.000 -0.042 0.000 0.946 332 F CB 0.961 39.971 39.000 0.018 0.000 1.336 332 F HN 0.114 nan 8.300 nan 0.000 0.457 333 L N 2.167 123.373 121.223 -0.028 0.000 2.361 333 L HA 0.384 4.723 4.340 -0.001 0.000 0.278 333 L C 0.755 177.623 176.870 -0.003 0.000 1.113 333 L CA 0.726 55.516 54.840 -0.082 0.000 0.849 333 L CB 1.006 43.000 42.059 -0.109 0.000 1.155 333 L HN 0.893 nan 8.230 nan 0.000 0.452 334 S N 3.281 118.866 115.700 -0.193 0.000 2.506 334 S HA 0.305 4.775 4.470 -0.001 0.000 0.230 334 S C 0.451 175.003 174.600 -0.079 0.000 1.066 334 S CA 0.266 58.337 58.200 -0.214 0.000 0.940 334 S CB 0.204 63.126 63.200 -0.463 0.000 0.818 334 S HN 0.511 nan 8.310 nan 0.000 0.518 335 K N 1.385 121.753 120.400 -0.054 0.000 2.443 335 K HA 0.716 5.035 4.320 -0.001 0.000 0.252 335 K C -1.471 175.180 176.600 0.085 0.000 0.933 335 K CA -0.367 55.908 56.287 -0.019 0.000 0.792 335 K CB 1.707 34.164 32.500 -0.072 0.000 1.185 335 K HN 0.211 nan 8.250 nan 0.000 0.425 336 A N 4.265 127.148 122.820 0.106 0.000 2.374 336 A HA 0.803 5.122 4.320 -0.001 0.000 0.305 336 A C -0.920 176.733 177.584 0.115 0.000 1.053 336 A CA -0.704 51.423 52.037 0.150 0.000 0.726 336 A CB 0.749 19.887 19.000 0.229 0.000 1.229 336 A HN 0.620 nan 8.150 nan 0.000 0.431 337 I N 2.513 123.169 120.570 0.143 0.000 2.500 337 I HA 0.227 4.397 4.170 -0.001 0.000 0.286 337 I C -0.916 175.322 176.117 0.201 0.000 1.063 337 I CA -0.455 60.928 61.300 0.138 0.000 1.062 337 I CB 2.070 40.127 38.000 0.094 0.000 1.223 337 I HN 0.895 nan 8.210 nan 0.000 0.435 338 H N 6.903 126.046 119.070 0.122 0.000 2.458 338 H HA 0.491 5.047 4.556 -0.001 0.000 0.330 338 H C -1.028 174.408 175.328 0.179 0.000 1.111 338 H CA -0.160 55.985 56.048 0.161 0.000 1.245 338 H CB 1.349 31.209 29.762 0.164 0.000 1.456 338 H HN 0.365 nan 8.280 nan 0.000 0.488 339 K N 3.490 123.651 120.400 -0.400 0.000 2.482 339 K HA 0.414 4.733 4.320 -0.001 0.000 0.251 339 K C -1.398 175.076 176.600 -0.211 0.000 0.936 339 K CA -0.643 55.549 56.287 -0.158 0.000 0.791 339 K CB 1.849 34.364 32.500 0.025 0.000 1.213 339 K HN 0.700 nan 8.250 nan 0.000 0.428 340 S N 2.543 118.284 115.700 0.068 0.000 2.526 340 S HA 0.580 5.049 4.470 -0.001 0.000 0.293 340 S C -1.532 173.234 174.600 0.277 0.000 1.092 340 S CA -0.590 57.764 58.200 0.257 0.000 0.980 340 S CB 1.020 64.503 63.200 0.472 0.000 1.048 340 S HN 0.498 nan 8.310 nan 0.000 0.483 341 F N 3.590 123.610 119.950 0.118 0.000 2.553 341 F HA 0.645 5.171 4.527 -0.001 0.000 0.335 341 F C -1.368 174.313 175.800 -0.198 0.000 1.148 341 F CA -0.843 57.182 58.000 0.042 0.000 0.963 341 F CB 0.783 39.889 39.000 0.177 0.000 1.217 341 F HN 0.450 nan 8.300 nan 0.000 0.441 342 L N 5.894 126.829 121.223 -0.481 0.000 2.329 342 L HA 0.570 4.910 4.340 -0.001 0.000 0.279 342 L C -1.086 175.469 176.870 -0.525 0.000 1.014 342 L CA -0.128 54.413 54.840 -0.499 0.000 0.814 342 L CB 1.710 43.493 42.059 -0.460 0.000 1.257 342 L HN 0.691 nan 8.230 nan 0.000 0.424 343 E N 3.489 123.433 120.200 -0.427 0.000 2.222 343 E HA 0.659 5.008 4.350 -0.001 0.000 0.267 343 E C -1.878 174.452 176.600 -0.451 0.000 0.884 343 E CA -0.782 55.400 56.400 -0.362 0.000 0.764 343 E CB 2.025 31.675 29.700 -0.083 0.000 1.169 343 E HN 0.534 nan 8.360 nan 0.000 0.413 344 V N 4.925 124.476 119.914 -0.604 0.000 2.588 344 V HA 0.495 4.614 4.120 -0.001 0.000 0.304 344 V C -0.493 175.389 176.094 -0.354 0.000 1.042 344 V CA -0.692 61.266 62.300 -0.569 0.000 0.877 344 V CB 1.588 32.808 31.823 -1.004 0.000 0.996 344 V HN 0.851 nan 8.190 nan 0.000 0.425 345 N N 2.620 121.223 118.700 -0.162 0.000 3.277 345 N HA 0.278 5.018 4.740 -0.001 0.000 0.278 345 N C 0.330 175.915 175.510 0.126 0.000 1.544 345 N CA -0.754 52.264 53.050 -0.052 0.000 0.869 345 N CB 1.087 39.535 38.487 -0.064 0.000 1.584 345 N HN 0.213 nan 8.380 nan 0.000 0.564 346 E N 0.224 120.491 120.200 0.112 0.000 2.118 346 E HA -0.095 4.254 4.350 -0.001 0.000 0.195 346 E C -0.443 176.381 176.600 0.374 0.000 0.992 346 E CA 1.260 57.821 56.400 0.267 0.000 0.804 346 E CB -0.274 29.524 29.700 0.164 0.000 0.741 346 E HN 0.620 nan 8.360 nan 0.000 0.458 347 E N -0.168 120.138 120.200 0.177 0.000 2.608 347 E HA 0.246 4.596 4.350 -0.001 0.000 0.259 347 E C 0.236 176.934 176.600 0.164 0.000 0.951 347 E CA 0.622 57.093 56.400 0.119 0.000 0.945 347 E CB 0.488 30.200 29.700 0.020 0.000 0.916 347 E HN 0.269 nan 8.360 nan 0.000 0.477 348 G N 1.500 110.396 108.800 0.160 0.000 2.430 348 G HA2 0.266 4.225 3.960 -0.001 0.000 0.300 348 G HA3 0.266 4.225 3.960 -0.001 0.000 0.300 348 G C -0.872 174.094 174.900 0.110 0.000 1.330 348 G CA -0.752 44.458 45.100 0.182 0.000 0.813 348 G HN 0.414 nan 8.290 nan 0.000 0.487 349 S N -0.694 115.065 115.700 0.099 0.000 2.661 349 S HA 0.537 5.007 4.470 -0.001 0.000 0.265 349 S C 0.143 174.756 174.600 0.022 0.000 1.225 349 S CA -0.418 57.813 58.200 0.051 0.000 0.986 349 S CB 1.258 64.487 63.200 0.048 0.000 1.008 349 S HN 0.646 nan 8.310 nan 0.000 0.565 350 E N -0.346 119.855 120.200 0.001 0.000 2.373 350 E HA 0.508 4.857 4.350 -0.001 0.000 0.263 350 E C 0.351 176.922 176.600 -0.048 0.000 1.073 350 E CA 0.179 56.567 56.400 -0.021 0.000 0.894 350 E CB 0.880 30.569 29.700 -0.019 0.000 1.008 350 E HN 0.593 nan 8.360 nan 0.000 0.420 351 A N 2.958 125.732 122.820 -0.076 0.000 2.213 351 A HA 0.732 5.052 4.320 -0.001 0.000 0.220 351 A C -0.111 177.406 177.584 -0.113 0.000 2.232 351 A CA 0.520 52.486 52.037 -0.119 0.000 1.017 351 A CB -0.464 18.433 19.000 -0.171 0.000 1.372 351 A HN 1.272 nan 8.150 nan 0.000 0.614 352 A N -1.691 121.063 122.820 -0.111 0.000 2.435 352 A HA 0.434 4.754 4.320 -0.001 0.000 0.686 352 A C 0.233 177.745 177.584 -0.121 0.000 0.138 352 A CA 0.159 52.139 52.037 -0.096 0.000 0.026 352 A CB -1.633 17.321 19.000 -0.076 0.000 3.973 352 A HN 2.280 nan 8.150 nan 0.000 0.548 353 A N 2.135 124.887 122.820 -0.113 0.000 3.051 353 A HA 0.524 4.843 4.320 -0.001 0.000 0.275 353 A C 0.611 178.130 177.584 -0.108 0.000 1.900 353 A CA 0.971 52.931 52.037 -0.128 0.000 1.496 353 A CB -0.947 17.989 19.000 -0.107 0.000 1.013 353 A HN 2.170 nan 8.150 nan 0.000 0.611 358 I N -1.472 119.076 120.570 -0.036 0.000 3.830 358 I HA 0.994 5.163 4.170 -0.001 0.000 0.272 358 I C 0.520 176.629 176.117 -0.013 0.000 1.333 358 I CA 0.301 61.589 61.300 -0.020 0.000 1.006 358 I CB 1.240 39.228 38.000 -0.020 0.000 1.472 358 I HN 0.868 nan 8.210 nan 0.000 0.604 359 A N 0.220 123.035 122.820 -0.010 0.000 3.085 359 A HA 0.299 4.618 4.320 -0.001 0.000 0.210 359 A C 0.430 178.008 177.584 -0.010 0.000 2.073 359 A CA 0.399 52.431 52.037 -0.008 0.000 1.666 359 A CB -1.510 17.488 19.000 -0.003 0.000 0.522 359 A HN 2.253 nan 8.150 nan 0.000 0.497 360 I N -4.892 115.672 120.570 -0.010 0.000 1.586 360 I HA 0.322 4.491 4.170 -0.001 0.000 0.310 360 I C -0.786 175.319 176.117 -0.020 0.000 3.208 360 I CA 0.711 62.003 61.300 -0.013 0.000 1.062 360 I CB -0.870 37.122 38.000 -0.014 0.000 2.595 360 I HN 2.577 nan 8.210 nan 0.000 0.697 361 S N 0.186 115.871 115.700 -0.024 0.000 2.547 361 S HA 0.691 5.160 4.470 -0.001 0.000 0.282 361 S C -0.870 173.713 174.600 -0.029 0.000 0.813 361 S CA -0.463 57.715 58.200 -0.036 0.000 1.250 361 S CB 0.500 63.677 63.200 -0.039 0.000 1.554 361 S HN 1.923 nan 8.310 nan 0.000 0.438 362 R N 0.107 120.587 120.500 -0.035 0.000 2.829 362 R HA 0.459 4.798 4.340 -0.001 0.000 0.284 362 R C -0.809 175.476 176.300 -0.027 0.000 1.006 362 R CA -0.485 55.600 56.100 -0.025 0.000 0.844 362 R CB 0.464 30.754 30.300 -0.017 0.000 1.309 362 R HN 2.069 nan 8.270 nan 0.000 0.494 363 M N 1.900 121.490 119.600 -0.018 0.000 3.189 363 M HA -0.071 4.409 4.480 -0.001 0.000 0.365 363 M C -0.525 175.763 176.300 -0.021 0.000 1.434 363 M CA 1.653 56.944 55.300 -0.015 0.000 0.938 363 M CB -1.165 31.428 32.600 -0.011 0.000 1.511 363 M HN 1.122 nan 8.290 nan 0.000 0.473 364 A N 1.339 124.144 122.820 -0.025 0.000 2.435 364 A HA 0.347 4.666 4.320 -0.001 0.000 0.686 364 A C -0.653 176.884 177.584 -0.077 0.000 0.138 364 A CA -0.290 51.724 52.037 -0.039 0.000 0.024 364 A CB -1.193 17.788 19.000 -0.031 0.000 3.974 364 A HN 1.747 nan 8.150 nan 0.000 0.548 365 V N 3.682 123.523 119.914 -0.122 0.000 2.888 365 V HA 0.802 4.921 4.120 -0.001 0.000 0.309 365 V C -0.137 175.727 176.094 -0.383 0.000 1.114 365 V CA -0.419 61.727 62.300 -0.255 0.000 0.940 365 V CB 2.158 33.785 31.823 -0.327 0.000 1.021 365 V HN 1.379 nan 8.190 nan 0.000 0.426 366 L N 4.230 125.191 121.223 -0.436 0.000 2.362 366 L HA 0.716 5.055 4.340 -0.001 0.000 0.275 366 L C -1.801 174.823 176.870 -0.409 0.000 0.998 366 L CA -0.341 54.304 54.840 -0.325 0.000 0.820 366 L CB 1.736 43.709 42.059 -0.144 0.000 1.270 366 L HN 0.670 nan 8.230 nan 0.000 0.415 367 Y N 3.902 124.192 120.300 -0.016 0.000 2.524 367 Y HA 0.585 5.134 4.550 -0.001 0.000 0.344 367 Y C -1.889 173.975 175.900 -0.060 0.000 1.012 367 Y CA -2.314 55.762 58.100 -0.040 0.000 1.068 367 Y CB 0.953 39.390 38.460 -0.039 0.000 1.249 367 Y HN 0.503 nan 8.280 nan 0.000 0.468 368 P HA 0.094 nan 4.420 nan 0.000 0.269 368 P C -1.142 176.073 177.300 -0.142 0.000 1.209 368 P CA -0.197 62.816 63.100 -0.145 0.000 0.776 368 P CB 0.987 32.373 31.700 -0.525 0.000 0.876 369 Q N 0.785 120.526 119.800 -0.098 0.000 2.337 369 Q HA 0.452 4.791 4.340 -0.001 0.000 0.270 369 Q C -1.257 174.750 176.000 0.013 0.000 1.043 369 Q CA -0.848 54.963 55.803 0.013 0.000 0.794 369 Q CB 2.772 31.562 28.738 0.086 0.000 1.281 369 Q HN 0.203 nan 8.270 nan 0.000 0.446 370 V N 4.839 124.780 119.914 0.045 0.000 2.380 370 V HA 0.429 4.548 4.120 -0.001 0.000 0.286 370 V C -0.197 175.954 176.094 0.096 0.000 1.015 370 V CA -0.456 61.872 62.300 0.047 0.000 0.834 370 V CB 1.217 33.027 31.823 -0.022 0.000 1.009 370 V HN 0.622 nan 8.190 nan 0.000 0.428 371 I N 5.018 125.625 120.570 0.061 0.000 2.313 371 I HA 0.249 4.419 4.170 -0.001 0.000 0.286 371 I C 0.253 176.346 176.117 -0.040 0.000 1.091 371 I CA -0.523 60.783 61.300 0.011 0.000 1.216 371 I CB 1.388 39.355 38.000 -0.057 0.000 1.434 371 I HN 0.306 nan 8.210 nan 0.000 0.487 372 V N 5.150 125.002 119.914 -0.103 0.000 1.973 372 V HA 0.001 4.120 4.120 -0.001 0.000 0.255 372 V C 0.722 176.785 176.094 -0.051 0.000 1.605 372 V CA -0.006 62.174 62.300 -0.201 0.000 1.542 372 V CB -0.939 30.641 31.823 -0.404 0.000 1.504 372 V HN 0.758 nan 8.190 nan 0.000 0.505 373 D N 1.403 121.770 120.400 -0.054 0.000 2.525 373 D HA 0.110 4.750 4.640 -0.001 0.000 0.229 373 D C 0.378 176.346 176.300 -0.553 0.000 1.202 373 D CA -0.140 53.838 54.000 -0.037 0.000 0.828 373 D CB 0.169 41.067 40.800 0.163 0.000 1.008 373 D HN 0.668 nan 8.370 nan 0.000 0.493 374 H N -3.384 115.223 119.070 -0.772 0.000 2.967 374 H HA 0.406 4.962 4.556 -0.001 0.000 0.318 374 H C -3.349 171.874 175.328 -0.174 0.000 1.375 374 H CA -1.667 53.746 56.048 -1.059 0.000 1.132 374 H CB -0.187 29.294 29.762 -0.468 0.000 1.848 374 H HN -0.325 nan 8.280 nan 0.000 0.524 375 P HA -0.004 nan 4.420 nan 0.000 0.264 375 P C -0.795 176.593 177.300 0.147 0.000 1.173 375 P CA 0.917 64.112 63.100 0.158 0.000 0.761 375 P CB -0.116 31.659 31.700 0.125 0.000 0.794 376 F N 0.863 120.865 119.950 0.087 0.000 2.668 376 F HA 0.656 5.182 4.527 -0.001 0.000 0.309 376 F C -1.368 174.561 175.800 0.216 0.000 1.117 376 F CA -1.608 56.446 58.000 0.089 0.000 0.951 376 F CB 0.688 39.684 39.000 -0.006 0.000 1.323 376 F HN 0.127 nan 8.300 nan 0.000 0.451 377 F N 3.411 123.519 119.950 0.263 0.000 2.378 377 F HA 0.829 5.355 4.527 -0.001 0.000 0.325 377 F C -1.040 174.952 175.800 0.320 0.000 1.097 377 F CA -1.652 56.423 58.000 0.125 0.000 1.079 377 F CB 1.356 40.354 39.000 -0.002 0.000 1.240 377 F HN 0.589 nan 8.300 nan 0.000 0.519 378 F N 2.873 122.204 119.950 -1.031 0.000 2.693 378 F HA 0.741 5.268 4.527 -0.001 0.000 0.309 378 F C -2.500 172.784 175.800 -0.860 0.000 1.129 378 F CA -1.638 55.938 58.000 -0.706 0.000 0.948 378 F CB 0.890 39.834 39.000 -0.093 0.000 1.315 378 F HN 0.434 nan 8.300 nan 0.000 0.447 379 L N 2.973 124.064 121.223 -0.221 0.000 2.354 379 L HA 0.701 5.041 4.340 -0.001 0.000 0.264 379 L C -0.833 176.127 176.870 0.151 0.000 1.008 379 L CA -1.002 53.780 54.840 -0.096 0.000 0.819 379 L CB 2.435 44.458 42.059 -0.060 0.000 1.339 379 L HN 0.654 nan 8.230 nan 0.000 0.420 380 I N 1.982 122.634 120.570 0.136 0.000 2.493 380 I HA 0.601 4.771 4.170 -0.001 0.000 0.298 380 I C -0.514 175.597 176.117 -0.010 0.000 0.998 380 I CA -0.619 60.737 61.300 0.095 0.000 1.137 380 I CB 1.886 39.902 38.000 0.028 0.000 1.310 380 I HN 0.698 nan 8.210 nan 0.000 0.445 381 R N 3.204 123.699 120.500 -0.008 0.000 2.707 381 R HA 0.394 4.734 4.340 -0.001 0.000 0.272 381 R C -1.312 174.955 176.300 -0.055 0.000 1.011 381 R CA -0.907 55.164 56.100 -0.048 0.000 0.893 381 R CB 1.358 31.658 30.300 -0.000 0.000 1.233 381 R HN 0.432 nan 8.270 nan 0.000 0.464 382 N N 1.946 120.587 118.700 -0.098 0.000 2.402 382 N HA 0.035 4.774 4.740 -0.001 0.000 0.252 382 N C 0.565 176.056 175.510 -0.032 0.000 1.118 382 N CA 0.004 53.008 53.050 -0.077 0.000 0.945 382 N CB 1.095 39.508 38.487 -0.124 0.000 1.147 382 N HN 0.703 nan 8.380 nan 0.000 0.495 383 R N 3.334 123.834 120.500 -0.001 0.000 2.200 383 R HA -0.065 4.274 4.340 -0.001 0.000 0.234 383 R C 1.682 177.973 176.300 -0.014 0.000 1.127 383 R CA 1.214 57.308 56.100 -0.011 0.000 0.989 383 R CB 0.234 30.525 30.300 -0.015 0.000 0.869 383 R HN 0.528 nan 8.270 nan 0.000 0.459 384 R N -0.738 119.760 120.500 -0.003 0.000 2.054 384 R HA -0.052 4.288 4.340 -0.001 0.000 0.223 384 R C 2.322 178.623 176.300 0.001 0.000 1.176 384 R CA 1.894 57.996 56.100 0.003 0.000 0.934 384 R CB -0.553 29.753 30.300 0.011 0.000 0.828 384 R HN 0.353 nan 8.270 nan 0.000 0.441 385 T N -2.262 112.284 114.554 -0.013 0.000 3.051 385 T HA 0.020 4.369 4.350 -0.001 0.000 0.269 385 T C 1.454 176.161 174.700 0.012 0.000 1.127 385 T CA 1.243 63.339 62.100 -0.006 0.000 1.107 385 T CB 0.081 68.916 68.868 -0.055 0.000 0.898 385 T HN 0.574 nan 8.240 nan 0.000 0.517 386 G N 0.790 109.586 108.800 -0.007 0.000 2.267 386 G HA2 -0.295 3.664 3.960 -0.001 0.000 0.257 386 G HA3 -0.295 3.664 3.960 -0.001 0.000 0.257 386 G C 0.369 175.263 174.900 -0.010 0.000 0.998 386 G CA 0.284 45.388 45.100 0.007 0.000 0.620 386 G HN 0.802 nan 8.290 nan 0.000 0.529 387 T N 2.940 117.462 114.554 -0.053 0.000 2.819 387 T HA 0.294 4.644 4.350 -0.001 0.000 0.282 387 T C 0.790 175.405 174.700 -0.141 0.000 1.013 387 T CA 0.431 62.452 62.100 -0.131 0.000 1.159 387 T CB 0.711 69.347 68.868 -0.388 0.000 1.007 387 T HN 0.302 nan 8.240 nan 0.000 0.514 388 I N 4.892 125.398 120.570 -0.108 0.000 2.352 388 I HA 0.117 4.286 4.170 -0.001 0.000 0.290 388 I C 0.895 176.870 176.117 -0.235 0.000 1.036 388 I CA -0.574 60.650 61.300 -0.127 0.000 1.336 388 I CB 0.702 38.658 38.000 -0.072 0.000 1.407 388 I HN 0.524 nan 8.210 nan 0.000 0.497 389 L N 6.817 127.865 121.223 -0.290 0.000 2.130 389 L HA 0.225 4.565 4.340 -0.001 0.000 0.200 389 L C 0.291 176.672 176.870 -0.816 0.000 1.075 389 L CA 1.561 56.095 54.840 -0.510 0.000 0.768 389 L CB -0.360 41.430 42.059 -0.448 0.000 0.933 389 L HN 0.375 nan 8.230 nan 0.000 0.451 390 F N -1.193 118.597 119.950 -0.266 0.000 2.603 390 F HA 0.634 5.161 4.527 -0.000 0.000 0.317 390 F C 0.013 175.576 175.800 -0.396 0.000 1.066 390 F CA -0.962 56.859 58.000 -0.299 0.000 0.941 390 F CB 1.612 40.534 39.000 -0.130 0.000 1.291 390 F HN -0.190 nan 8.300 nan 0.000 0.472 391 M N 0.819 120.122 119.600 -0.495 0.000 2.569 391 M HA 0.999 5.478 4.480 -0.001 0.000 0.279 391 M C -0.810 175.092 176.300 -0.664 0.000 1.253 391 M CA -0.526 54.399 55.300 -0.626 0.000 0.867 391 M CB 2.615 34.964 32.600 -0.420 0.000 1.727 391 M HN 0.796 nan 8.290 nan 0.000 0.467 392 G N 1.206 109.435 108.800 -0.952 0.000 2.323 392 G HA2 0.572 4.532 3.960 -0.001 0.000 0.291 392 G HA3 0.572 4.532 3.960 -0.001 0.000 0.291 392 G C -2.304 172.243 174.900 -0.589 0.000 1.278 392 G CA -0.913 43.910 45.100 -0.463 0.000 0.860 392 G HN 1.185 nan 8.290 nan 0.000 0.504 393 R N -1.120 119.352 120.500 -0.048 0.000 2.535 393 R HA 0.655 4.994 4.340 -0.001 0.000 0.274 393 R C -1.515 174.777 176.300 -0.013 0.000 1.090 393 R CA -0.856 55.274 56.100 0.049 0.000 0.930 393 R CB 1.842 32.277 30.300 0.224 0.000 1.223 393 R HN 0.490 nan 8.270 nan 0.000 0.441 394 V N 4.851 124.562 119.914 -0.339 0.000 2.432 394 V HA 0.152 4.271 4.120 -0.001 0.000 0.271 394 V C 0.663 176.565 176.094 -0.319 0.000 1.046 394 V CA -0.420 61.615 62.300 -0.441 0.000 0.945 394 V CB 1.225 32.491 31.823 -0.928 0.000 0.992 394 V HN 0.885 nan 8.190 nan 0.000 0.471 395 M N 2.843 122.338 119.600 -0.175 0.000 2.653 395 M HA 0.256 4.735 4.480 -0.001 0.000 0.259 395 M C 0.021 176.031 176.300 -0.483 0.000 1.244 395 M CA 0.774 55.923 55.300 -0.250 0.000 1.163 395 M CB -0.125 32.328 32.600 -0.246 0.000 1.309 395 M HN 0.741 nan 8.290 nan 0.000 0.509 396 H N 0.194 119.200 119.070 -0.107 0.000 2.991 396 H HA 0.294 4.849 4.556 -0.001 0.000 0.304 396 H C -1.969 173.199 175.328 -0.266 0.000 1.040 396 H CA -1.311 54.648 56.048 -0.149 0.000 1.410 396 H CB 0.788 30.513 29.762 -0.062 0.000 1.529 396 H HN -0.063 nan 8.280 nan 0.000 0.509 397 P HA -0.069 nan 4.420 nan 0.000 0.226 397 P C 0.189 177.384 177.300 -0.175 0.000 1.161 397 P CA 0.350 63.199 63.100 -0.418 0.000 0.804 397 P CB 0.569 31.773 31.700 -0.828 0.000 0.829 398 E N 2.017 122.133 120.200 -0.140 0.000 2.481 398 E HA -0.001 4.349 4.350 -0.001 0.000 0.263 398 E C -0.002 176.596 176.600 -0.002 0.000 0.992 398 E CA 0.503 56.880 56.400 -0.039 0.000 0.938 398 E CB -0.224 29.471 29.700 -0.008 0.000 0.933 398 E HN 0.140 nan 8.360 nan 0.000 0.453 399 T N 0.000 114.566 114.554 0.020 0.000 3.816 399 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 399 T CA 0.000 62.121 62.100 0.034 0.000 1.349 399 T CB 0.000 68.897 68.868 0.049 0.000 0.612 399 T HN 0.000 nan 8.240 nan 0.000 0.658