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 3klz_1_C DATA FIRST_RESID 25 DATA SEQUENCE KAKKAAYKSF LLAISAGIQI GIAFVFYTVV TTGAHDMPYG VTKLLGGLAF DATA SEQUENCE SLGLILVVIT GGELFTSSVL ILVAKASGKI SWKELVRNWT VVYFGNLCGS DATA SEQUENCE IILVFIMLAT RQFMEDGGQL GLNAMAISQH KLHHTFLQAF ALGLMCNILV DATA SEQUENCE CLAVWMTFSA RSLTDKVMVL ILPVAMFVSS GFEHCIANMF QVPMAIGIKY DATA SEQUENCE FAPESFWAMT GANIAQYADL NFVNFIVNNL IPVTLGNIVG GGVFVGMWYW DATA SEQUENCE LIYLK 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 25 K HA 0.000 nan 4.320 nan 0.000 0.191 25 K C 0.000 176.624 176.600 0.040 0.000 0.988 25 K CA 0.000 56.309 56.287 0.037 0.000 0.838 25 K CB 0.000 32.517 32.500 0.028 0.000 1.064 26 A N 0.783 123.634 122.820 0.052 0.000 1.703 26 A HA 0.165 4.485 4.320 0.000 0.000 0.211 26 A C 1.188 178.811 177.584 0.065 0.000 1.773 26 A CA -0.016 52.050 52.037 0.048 0.000 1.186 26 A CB 0.137 19.158 19.000 0.035 0.000 1.117 26 A HN 0.007 nan 8.150 nan 0.000 0.501 27 K N 1.075 121.531 120.400 0.093 0.000 2.209 27 K HA -0.093 4.227 4.320 0.000 0.000 0.204 27 K C 1.690 178.430 176.600 0.233 0.000 1.048 27 K CA 1.466 57.836 56.287 0.138 0.000 0.940 27 K CB -0.161 32.478 32.500 0.231 0.000 0.729 27 K HN 0.411 nan 8.250 nan 0.000 0.451 28 K N 0.561 121.083 120.400 0.203 0.000 2.089 28 K HA -0.216 4.104 4.320 0.000 0.000 0.210 28 K C 2.140 178.845 176.600 0.174 0.000 1.048 28 K CA 1.685 58.088 56.287 0.194 0.000 0.926 28 K CB -0.231 32.334 32.500 0.110 0.000 0.714 28 K HN 0.174 nan 8.250 nan 0.000 0.448 29 A N 0.952 123.841 122.820 0.114 0.000 2.014 29 A HA -0.005 4.315 4.320 0.000 0.000 0.218 29 A C 2.272 179.910 177.584 0.091 0.000 1.163 29 A CA 1.544 53.635 52.037 0.089 0.000 0.652 29 A CB -0.446 18.588 19.000 0.056 0.000 0.808 29 A HN 0.339 nan 8.150 nan 0.000 0.449 30 A N -1.458 121.396 122.820 0.056 0.000 1.898 30 A HA 0.062 4.382 4.320 0.000 0.000 0.214 30 A C 2.033 179.630 177.584 0.021 0.000 1.183 30 A CA 1.230 53.260 52.037 -0.011 0.000 0.622 30 A CB -0.677 18.234 19.000 -0.149 0.000 0.824 30 A HN 0.504 nan 8.150 nan 0.000 0.444 31 Y N 0.287 120.659 120.300 0.120 0.000 2.200 31 Y HA -0.150 4.400 4.550 0.000 0.000 0.290 31 Y C 2.411 178.429 175.900 0.198 0.000 1.137 31 Y CA 1.756 59.959 58.100 0.173 0.000 1.163 31 Y CB -0.201 38.328 38.460 0.116 0.000 0.988 31 Y HN 0.317 nan 8.280 nan 0.000 0.518 32 K N -0.448 120.121 120.400 0.282 0.000 2.032 32 K HA -0.215 4.105 4.320 0.000 0.000 0.209 32 K C 2.555 179.259 176.600 0.173 0.000 1.048 32 K CA 1.631 58.030 56.287 0.188 0.000 0.927 32 K CB -0.415 32.163 32.500 0.130 0.000 0.712 32 K HN 0.178 nan 8.250 nan 0.000 0.441 33 S N -0.020 115.784 115.700 0.173 0.000 2.374 33 S HA -0.192 4.278 4.470 0.000 0.000 0.227 33 S C 1.708 176.437 174.600 0.216 0.000 1.037 33 S CA 1.401 59.700 58.200 0.166 0.000 1.024 33 S CB -0.502 62.791 63.200 0.156 0.000 0.861 33 S HN 0.459 nan 8.310 nan 0.000 0.456 34 F N 2.102 122.113 119.950 0.102 0.000 2.095 34 F HA -0.040 4.487 4.527 0.000 0.000 0.298 34 F C 1.891 177.750 175.800 0.099 0.000 1.104 34 F CA 1.477 59.545 58.000 0.113 0.000 1.232 34 F CB -0.591 38.486 39.000 0.128 0.000 0.987 34 F HN 0.184 nan 8.300 nan 0.000 0.475 35 L N -0.328 120.937 121.223 0.068 0.000 2.017 35 L HA -0.256 4.084 4.340 0.000 0.000 0.208 35 L C 2.535 179.359 176.870 -0.076 0.000 1.073 35 L CA 1.342 56.147 54.840 -0.058 0.000 0.745 35 L CB -0.893 41.200 42.059 0.057 0.000 0.894 35 L HN 0.219 nan 8.230 nan 0.000 0.432 36 L N -0.509 120.713 121.223 -0.002 0.000 2.191 36 L HA -0.187 4.153 4.340 0.000 0.000 0.212 36 L C 2.769 179.627 176.870 -0.019 0.000 1.103 36 L CA 0.929 55.770 54.840 0.001 0.000 0.769 36 L CB -0.615 41.467 42.059 0.038 0.000 0.908 36 L HN 0.255 nan 8.230 nan 0.000 0.438 37 A N 0.203 123.002 122.820 -0.036 0.000 1.898 37 A HA -0.096 4.224 4.320 0.000 0.000 0.214 37 A C 2.183 179.690 177.584 -0.128 0.000 1.183 37 A CA 0.975 52.990 52.037 -0.037 0.000 0.622 37 A CB -0.432 18.580 19.000 0.020 0.000 0.824 37 A HN 0.291 nan 8.150 nan 0.000 0.444 38 I N -0.508 119.903 120.570 -0.265 0.000 2.208 38 I HA -0.241 3.929 4.170 0.000 0.000 0.245 38 I C 2.859 178.887 176.117 -0.148 0.000 1.097 38 I CA 1.585 62.722 61.300 -0.272 0.000 1.363 38 I CB -0.207 37.569 38.000 -0.373 0.000 1.051 38 I HN 0.417 nan 8.210 nan 0.000 0.413 39 S N 0.502 116.133 115.700 -0.116 0.000 2.368 39 S HA -0.191 4.279 4.470 0.000 0.000 0.225 39 S C 2.215 176.776 174.600 -0.064 0.000 1.030 39 S CA 1.462 59.615 58.200 -0.078 0.000 0.999 39 S CB -0.227 62.940 63.200 -0.056 0.000 0.844 39 S HN 0.469 nan 8.310 nan 0.000 0.459 40 A N 0.840 123.633 122.820 -0.046 0.000 1.933 40 A HA 0.135 4.455 4.320 0.000 0.000 0.218 40 A C 2.364 179.928 177.584 -0.033 0.000 1.175 40 A CA 1.793 53.815 52.037 -0.026 0.000 0.628 40 A CB -1.685 17.324 19.000 0.015 0.000 0.814 40 A HN 0.642 nan 8.150 nan 0.000 0.444 41 G N 0.187 108.964 108.800 -0.038 0.000 2.446 41 G HA2 -0.229 3.731 3.960 0.000 0.000 0.217 41 G HA3 -0.229 3.731 3.960 0.000 0.000 0.217 41 G C 1.512 176.385 174.900 -0.046 0.000 1.168 41 G CA 1.210 46.294 45.100 -0.026 0.000 0.771 41 G HN 0.487 nan 8.290 nan 0.000 0.551 42 I N 0.247 120.774 120.570 -0.072 0.000 2.286 42 I HA -0.200 3.970 4.170 0.000 0.000 0.248 42 I C 3.016 179.043 176.117 -0.149 0.000 1.115 42 I CA 1.149 62.389 61.300 -0.101 0.000 1.392 42 I CB -0.197 37.752 38.000 -0.086 0.000 1.065 42 I HN 0.248 nan 8.210 nan 0.000 0.418 43 Q N 0.141 119.865 119.800 -0.127 0.000 2.083 43 Q HA -0.126 4.215 4.340 0.000 0.000 0.198 43 Q C 2.315 178.187 176.000 -0.213 0.000 0.969 43 Q CA 1.105 56.817 55.803 -0.152 0.000 0.838 43 Q CB 0.095 28.767 28.738 -0.110 0.000 0.900 43 Q HN 0.406 nan 8.270 nan 0.000 0.436 44 I N 0.497 120.956 120.570 -0.186 0.000 2.226 44 I HA -0.143 4.027 4.170 0.000 0.000 0.245 44 I C 2.320 178.262 176.117 -0.291 0.000 1.100 44 I CA 1.531 62.681 61.300 -0.249 0.000 1.374 44 I CB -1.735 36.197 38.000 -0.114 0.000 1.057 44 I HN 0.240 nan 8.210 nan 0.000 0.413 45 G N 1.354 110.002 108.800 -0.255 0.000 2.446 45 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 45 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 45 G C 1.858 176.343 174.900 -0.691 0.000 1.168 45 G CA 0.636 45.388 45.100 -0.580 0.000 0.771 45 G HN 0.345 nan 8.290 nan 0.000 0.551 46 I N 1.469 121.763 120.570 -0.461 0.000 2.194 46 I HA -0.270 3.900 4.170 0.000 0.000 0.246 46 I C 3.322 179.284 176.117 -0.258 0.000 1.093 46 I CA 1.048 62.150 61.300 -0.331 0.000 1.355 46 I CB -0.251 37.598 38.000 -0.252 0.000 1.046 46 I HN 0.268 nan 8.210 nan 0.000 0.413 47 A N 0.611 123.190 122.820 -0.403 0.000 1.892 47 A HA -0.271 4.049 4.320 0.000 0.000 0.218 47 A C 2.146 179.497 177.584 -0.388 0.000 1.188 47 A CA 1.838 53.492 52.037 -0.638 0.000 0.631 47 A CB -1.034 17.040 19.000 -1.543 0.000 0.822 47 A HN 0.364 nan 8.150 nan 0.000 0.447 48 F N -0.145 119.653 119.950 -0.253 0.000 2.234 48 F HA -0.089 4.438 4.527 0.000 0.000 0.299 48 F C 2.458 178.401 175.800 0.239 0.000 1.087 48 F CA 0.878 58.994 58.000 0.193 0.000 1.340 48 F CB -0.469 38.743 39.000 0.354 0.000 1.031 48 F HN 0.028 nan 8.300 nan 0.000 0.500 49 V N -0.660 119.397 119.914 0.239 0.000 2.295 49 V HA -0.302 3.818 4.120 0.000 0.000 0.246 49 V C 2.303 178.575 176.094 0.297 0.000 1.049 49 V CA 1.588 64.021 62.300 0.222 0.000 1.024 49 V CB -0.825 31.011 31.823 0.021 0.000 0.648 49 V HN 0.216 nan 8.190 nan 0.000 0.447 50 F N 0.265 120.248 119.950 0.056 0.000 2.069 50 F HA -0.225 4.302 4.527 0.000 0.000 0.298 50 F C 2.439 178.313 175.800 0.122 0.000 1.113 50 F CA 1.792 59.816 58.000 0.040 0.000 1.214 50 F CB -1.142 37.838 39.000 -0.034 0.000 0.978 50 F HN 0.296 nan 8.300 nan 0.000 0.474 51 Y N 1.031 121.454 120.300 0.205 0.000 2.114 51 Y HA -0.318 4.232 4.550 0.000 0.000 0.282 51 Y C 2.483 178.489 175.900 0.175 0.000 1.165 51 Y CA 2.828 61.017 58.100 0.149 0.000 1.148 51 Y CB -0.846 37.814 38.460 0.333 0.000 0.972 51 Y HN 0.055 nan 8.280 nan 0.000 0.504 52 T N -0.513 114.308 114.554 0.444 0.000 2.777 52 T HA -0.166 4.184 4.350 0.000 0.000 0.266 52 T C 2.059 176.836 174.700 0.128 0.000 1.040 52 T CA 1.506 63.782 62.100 0.293 0.000 1.141 52 T CB -0.738 68.322 68.868 0.320 0.000 0.868 52 T HN 0.209 nan 8.240 nan 0.000 0.444 53 V N 1.289 121.294 119.914 0.152 0.000 2.261 53 V HA -0.156 3.964 4.120 0.000 0.000 0.246 53 V C 2.687 178.798 176.094 0.028 0.000 1.047 53 V CA 1.406 63.771 62.300 0.107 0.000 1.015 53 V CB -0.708 31.214 31.823 0.165 0.000 0.642 53 V HN 0.304 nan 8.190 nan 0.000 0.446 54 V N 0.836 120.735 119.914 -0.024 0.000 2.392 54 V HA -0.223 3.897 4.120 0.000 0.000 0.249 54 V C 2.393 178.371 176.094 -0.192 0.000 1.059 54 V CA 2.455 64.672 62.300 -0.138 0.000 1.051 54 V CB -1.002 30.651 31.823 -0.284 0.000 0.658 54 V HN 0.829 nan 8.190 nan 0.000 0.455 55 T N -3.865 110.538 114.554 -0.252 0.000 3.122 55 T HA 0.083 4.433 4.350 0.000 0.000 0.250 55 T C 0.640 175.276 174.700 -0.107 0.000 1.067 55 T CA 0.036 61.988 62.100 -0.247 0.000 0.966 55 T CB -0.311 68.312 68.868 -0.409 0.000 1.002 55 T HN 0.345 nan 8.240 nan 0.000 0.542 56 T N 2.169 116.693 114.554 -0.050 0.000 2.869 56 T HA 0.494 4.844 4.350 0.000 0.000 0.295 56 T C 1.313 176.019 174.700 0.010 0.000 0.987 56 T CA 0.499 62.604 62.100 0.008 0.000 1.109 56 T CB 0.598 69.487 68.868 0.035 0.000 0.932 56 T HN 0.671 nan 8.240 nan 0.000 0.518 57 G N 2.094 110.935 108.800 0.067 0.000 2.160 57 G HA2 -0.173 3.787 3.960 0.000 0.000 0.251 57 G HA3 -0.173 3.787 3.960 0.000 0.000 0.251 57 G C 0.572 175.428 174.900 -0.073 0.000 1.008 57 G CA 0.060 45.232 45.100 0.120 0.000 0.724 57 G HN 1.084 nan 8.290 nan 0.000 0.514 58 A N -0.048 122.725 122.820 -0.078 0.000 2.462 58 A HA 0.558 4.878 4.320 0.000 0.000 0.261 58 A C 1.476 178.948 177.584 -0.186 0.000 1.323 58 A CA 1.038 52.963 52.037 -0.186 0.000 0.913 58 A CB -0.626 18.292 19.000 -0.138 0.000 1.028 58 A HN 1.061 nan 8.150 nan 0.000 0.511 59 H N -0.864 118.198 119.070 -0.013 0.000 2.321 59 H HA -0.168 4.388 4.556 0.000 0.000 0.295 59 H C 0.627 175.958 175.328 0.004 0.000 1.102 59 H CA 1.802 57.850 56.048 0.001 0.000 1.266 59 H CB -0.229 29.535 29.762 0.003 0.000 1.363 59 H HN 0.363 nan 8.280 nan 0.000 0.492 60 D N 0.291 120.565 120.400 -0.210 0.000 2.348 60 D HA 0.056 4.696 4.640 0.000 0.000 0.211 60 D C 0.631 176.883 176.300 -0.081 0.000 0.998 60 D CA 0.194 54.149 54.000 -0.075 0.000 0.873 60 D CB 0.062 40.824 40.800 -0.063 0.000 0.925 60 D HN 0.406 nan 8.370 nan 0.000 0.524 61 M N 1.349 120.876 119.600 -0.121 0.000 2.240 61 M HA 0.170 4.650 4.480 0.000 0.000 0.333 61 M C -2.108 174.171 176.300 -0.035 0.000 1.110 61 M CA -1.285 53.965 55.300 -0.083 0.000 1.173 61 M CB 0.341 32.874 32.600 -0.111 0.000 1.458 61 M HN -0.323 nan 8.290 nan 0.000 0.458 62 P HA -0.053 nan 4.420 nan 0.000 0.269 62 P C -0.050 177.276 177.300 0.043 0.000 1.209 62 P CA 0.105 63.222 63.100 0.027 0.000 0.776 62 P CB 0.297 32.009 31.700 0.020 0.000 0.876 63 Y N 3.063 123.346 120.300 -0.030 0.000 2.030 63 Y HA -0.319 4.231 4.550 0.000 0.000 0.272 63 Y C 2.372 178.250 175.900 -0.037 0.000 1.185 63 Y CA 2.758 60.840 58.100 -0.029 0.000 1.120 63 Y CB -1.006 37.442 38.460 -0.019 0.000 0.955 63 Y HN 0.485 nan 8.280 nan 0.000 0.495 64 G N -0.806 108.054 108.800 0.099 0.000 2.418 64 G HA2 -0.237 3.723 3.960 0.000 0.000 0.217 64 G HA3 -0.237 3.723 3.960 0.000 0.000 0.217 64 G C 1.688 176.523 174.900 -0.107 0.000 1.158 64 G CA 1.333 46.428 45.100 -0.010 0.000 0.771 64 G HN 0.405 nan 8.290 nan 0.000 0.545 65 V N 1.034 120.900 119.914 -0.079 0.000 2.343 65 V HA -0.192 3.928 4.120 0.000 0.000 0.247 65 V C 3.168 179.174 176.094 -0.148 0.000 1.051 65 V CA 2.369 64.612 62.300 -0.095 0.000 1.036 65 V CB -0.923 30.857 31.823 -0.071 0.000 0.654 65 V HN 0.395 nan 8.190 nan 0.000 0.451 66 T N -0.404 114.041 114.554 -0.181 0.000 2.708 66 T HA -0.185 4.165 4.350 0.000 0.000 0.266 66 T C 1.997 176.533 174.700 -0.273 0.000 1.037 66 T CA 1.210 63.175 62.100 -0.224 0.000 1.146 66 T CB -0.235 68.497 68.868 -0.226 0.000 0.865 66 T HN 0.315 nan 8.240 nan 0.000 0.435 67 K N 0.843 121.054 120.400 -0.315 0.000 2.147 67 K HA 0.020 4.340 4.320 0.000 0.000 0.205 67 K C 2.231 178.721 176.600 -0.184 0.000 1.049 67 K CA 0.697 56.826 56.287 -0.263 0.000 0.936 67 K CB -0.712 31.572 32.500 -0.359 0.000 0.722 67 K HN 0.254 nan 8.250 nan 0.000 0.446 68 L N 1.280 122.397 121.223 -0.176 0.000 2.027 68 L HA -0.088 4.252 4.340 0.000 0.000 0.206 68 L C 2.107 178.885 176.870 -0.153 0.000 1.074 68 L CA 1.374 56.129 54.840 -0.143 0.000 0.745 68 L CB -0.547 41.445 42.059 -0.112 0.000 0.898 68 L HN 0.040 nan 8.230 nan 0.000 0.433 69 L N -0.581 120.538 121.223 -0.175 0.000 2.042 69 L HA -0.156 4.184 4.340 0.000 0.000 0.210 69 L C 2.527 179.243 176.870 -0.258 0.000 1.076 69 L CA 1.351 56.072 54.840 -0.199 0.000 0.749 69 L CB -1.522 40.419 42.059 -0.198 0.000 0.893 69 L HN 0.489 nan 8.230 nan 0.000 0.432 70 G N -0.238 108.380 108.800 -0.303 0.000 2.433 70 G HA2 -0.201 3.759 3.960 0.000 0.000 0.216 70 G HA3 -0.201 3.759 3.960 0.000 0.000 0.216 70 G C 1.592 176.481 174.900 -0.018 0.000 1.186 70 G CA 0.746 45.625 45.100 -0.369 0.000 0.779 70 G HN 0.479 nan 8.290 nan 0.000 0.543 71 G N 0.822 109.604 108.800 -0.030 0.000 2.440 71 G HA2 -0.171 3.789 3.960 0.000 0.000 0.218 71 G HA3 -0.171 3.789 3.960 0.000 0.000 0.218 71 G C 1.840 176.676 174.900 -0.106 0.000 1.154 71 G CA 0.856 45.886 45.100 -0.117 0.000 0.767 71 G HN 0.423 nan 8.290 nan 0.000 0.552 72 L N 0.641 121.786 121.223 -0.130 0.000 2.017 72 L HA -0.079 4.261 4.340 0.000 0.000 0.208 72 L C 3.435 180.208 176.870 -0.160 0.000 1.073 72 L CA 1.153 55.918 54.840 -0.125 0.000 0.745 72 L CB -0.436 41.547 42.059 -0.127 0.000 0.894 72 L HN 0.302 nan 8.230 nan 0.000 0.432 73 A N -0.390 122.237 122.820 -0.322 0.000 1.902 73 A HA -0.278 4.042 4.320 0.000 0.000 0.217 73 A C 2.179 179.603 177.584 -0.268 0.000 1.181 73 A CA 1.530 53.161 52.037 -0.676 0.000 0.623 73 A CB -0.955 17.164 19.000 -1.469 0.000 0.818 73 A HN 0.395 nan 8.150 nan 0.000 0.443 74 F N 2.011 121.815 119.950 -0.243 0.000 2.250 74 F HA -0.215 4.312 4.527 0.000 0.000 0.301 74 F C 2.681 178.402 175.800 -0.132 0.000 1.077 74 F CA 1.670 59.568 58.000 -0.171 0.000 1.348 74 F CB -0.141 38.682 39.000 -0.296 0.000 1.040 74 F HN 0.354 nan 8.300 nan 0.000 0.509 75 S N -0.031 115.713 115.700 0.074 0.000 2.440 75 S HA -0.239 4.231 4.470 0.000 0.000 0.238 75 S C 2.040 176.647 174.600 0.010 0.000 1.010 75 S CA 1.143 59.374 58.200 0.052 0.000 0.972 75 S CB -1.075 62.139 63.200 0.023 0.000 0.774 75 S HN 0.419 nan 8.310 nan 0.000 0.501 76 L N 2.810 124.043 121.223 0.016 0.000 2.051 76 L HA -0.016 4.324 4.340 0.000 0.000 0.214 76 L C 2.406 179.225 176.870 -0.085 0.000 1.076 76 L CA 2.054 56.900 54.840 0.009 0.000 0.758 76 L CB -1.477 40.649 42.059 0.112 0.000 0.890 76 L HN 0.388 nan 8.230 nan 0.000 0.433 77 G N -0.680 107.996 108.800 -0.206 0.000 2.459 77 G HA2 -0.306 3.654 3.960 0.000 0.000 0.217 77 G HA3 -0.306 3.654 3.960 0.000 0.000 0.217 77 G C 1.545 176.367 174.900 -0.130 0.000 1.183 77 G CA 0.996 45.935 45.100 -0.268 0.000 0.776 77 G HN 0.402 nan 8.290 nan 0.000 0.552 78 L N 0.749 121.937 121.223 -0.059 0.000 2.156 78 L HA 0.210 4.550 4.340 0.000 0.000 0.208 78 L C 2.709 179.576 176.870 -0.006 0.000 1.095 78 L CA 0.937 55.776 54.840 -0.002 0.000 0.770 78 L CB -0.389 41.707 42.059 0.061 0.000 0.914 78 L HN 0.275 nan 8.230 nan 0.000 0.439 79 I N -1.235 119.329 120.570 -0.010 0.000 2.163 79 I HA -0.365 3.805 4.170 0.000 0.000 0.243 79 I C 2.341 178.447 176.117 -0.019 0.000 1.085 79 I CA 1.390 62.685 61.300 -0.009 0.000 1.347 79 I CB -0.342 37.655 38.000 -0.005 0.000 1.044 79 I HN 0.237 nan 8.210 nan 0.000 0.408 80 L N -0.176 121.025 121.223 -0.037 0.000 2.017 80 L HA -0.213 4.127 4.340 0.000 0.000 0.208 80 L C 2.618 179.470 176.870 -0.030 0.000 1.073 80 L CA 1.185 55.999 54.840 -0.043 0.000 0.745 80 L CB -0.622 41.394 42.059 -0.070 0.000 0.894 80 L HN 0.084 nan 8.230 nan 0.000 0.432 81 V N -0.694 119.203 119.914 -0.028 0.000 2.287 81 V HA -0.263 3.857 4.120 0.000 0.000 0.248 81 V C 2.387 178.486 176.094 0.009 0.000 1.053 81 V CA 1.658 63.952 62.300 -0.009 0.000 1.027 81 V CB -0.296 31.526 31.823 -0.002 0.000 0.646 81 V HN 0.191 nan 8.190 nan 0.000 0.447 82 V N -0.251 119.670 119.914 0.012 0.000 2.270 82 V HA -0.228 3.892 4.120 0.000 0.000 0.245 82 V C 2.156 178.264 176.094 0.022 0.000 1.043 82 V CA 2.244 64.560 62.300 0.027 0.000 1.014 82 V CB -0.443 31.394 31.823 0.023 0.000 0.645 82 V HN 0.429 nan 8.190 nan 0.000 0.447 83 I N 0.952 121.527 120.570 0.009 0.000 2.315 83 I HA -0.182 3.988 4.170 0.000 0.000 0.248 83 I C 2.478 178.596 176.117 0.002 0.000 1.117 83 I CA 1.946 63.249 61.300 0.005 0.000 1.404 83 I CB -0.565 37.433 38.000 -0.002 0.000 1.071 83 I HN 0.503 nan 8.210 nan 0.000 0.419 84 T N -2.136 112.416 114.554 -0.003 0.000 3.100 84 T HA 0.222 4.572 4.350 0.000 0.000 0.253 84 T C 1.494 176.196 174.700 0.003 0.000 1.118 84 T CA 0.463 62.560 62.100 -0.005 0.000 1.058 84 T CB 0.293 69.151 68.868 -0.016 0.000 0.953 84 T HN 0.530 nan 8.240 nan 0.000 0.515 85 G N 0.768 109.575 108.800 0.012 0.000 2.137 85 G HA2 -0.052 3.908 3.960 0.000 0.000 0.237 85 G HA3 -0.052 3.908 3.960 0.000 0.000 0.237 85 G C 0.408 175.323 174.900 0.025 0.000 1.002 85 G CA -0.240 44.872 45.100 0.021 0.000 0.702 85 G HN 1.009 nan 8.290 nan 0.000 0.515 86 G N -0.451 108.361 108.800 0.019 0.000 2.554 86 G HA2 0.445 4.405 3.960 0.000 0.000 0.238 86 G HA3 0.445 4.405 3.960 0.000 0.000 0.238 86 G C 0.031 174.958 174.900 0.044 0.000 1.259 86 G CA -0.177 44.936 45.100 0.021 0.000 0.843 86 G HN 0.469 nan 8.290 nan 0.000 0.582 87 E N 0.470 120.702 120.200 0.054 0.000 2.035 87 E HA 0.214 4.564 4.350 0.000 0.000 0.271 87 E C -0.955 175.709 176.600 0.107 0.000 0.953 87 E CA -0.637 55.815 56.400 0.086 0.000 0.777 87 E CB 1.698 31.460 29.700 0.103 0.000 1.104 87 E HN 0.146 nan 8.360 nan 0.000 0.408 88 L N 4.164 125.458 121.223 0.118 0.000 2.287 88 L HA 0.216 4.556 4.340 0.000 0.000 0.287 88 L C 0.495 177.483 176.870 0.196 0.000 1.022 88 L CA -0.233 54.703 54.840 0.160 0.000 0.814 88 L CB 0.576 42.724 42.059 0.149 0.000 1.217 88 L HN 0.508 nan 8.230 nan 0.000 0.420 89 F N 2.614 122.617 119.950 0.087 0.000 2.045 89 F HA -0.367 4.160 4.527 0.000 0.000 0.297 89 F C 2.226 178.040 175.800 0.022 0.000 1.114 89 F CA 2.793 60.821 58.000 0.047 0.000 1.207 89 F CB -0.307 38.705 39.000 0.021 0.000 0.964 89 F HN 0.718 nan 8.300 nan 0.000 0.486 90 T N -3.223 111.351 114.554 0.032 0.000 2.803 90 T HA -0.232 4.118 4.350 0.000 0.000 0.269 90 T C 2.086 176.720 174.700 -0.111 0.000 1.052 90 T CA 1.572 63.597 62.100 -0.124 0.000 1.136 90 T CB -0.932 67.903 68.868 -0.055 0.000 0.864 90 T HN 0.333 nan 8.240 nan 0.000 0.467 91 S N -0.213 115.479 115.700 -0.013 0.000 2.548 91 S HA 0.191 4.661 4.470 0.000 0.000 0.215 91 S C 2.120 176.727 174.600 0.012 0.000 0.976 91 S CA 0.408 58.601 58.200 -0.012 0.000 0.908 91 S CB -0.687 62.532 63.200 0.032 0.000 0.781 91 S HN 0.523 nan 8.310 nan 0.000 0.519 92 S N 1.426 117.139 115.700 0.023 0.000 2.374 92 S HA -0.123 4.347 4.470 0.000 0.000 0.227 92 S C 1.692 176.327 174.600 0.058 0.000 1.037 92 S CA 1.607 59.859 58.200 0.086 0.000 1.024 92 S CB -0.518 62.799 63.200 0.194 0.000 0.861 92 S HN 0.710 nan 8.310 nan 0.000 0.456 93 V N 1.698 121.639 119.914 0.044 0.000 3.519 93 V HA -0.000 4.120 4.120 0.000 0.000 0.272 93 V C 1.229 177.311 176.094 -0.020 0.000 1.238 93 V CA 0.685 62.982 62.300 -0.005 0.000 1.194 93 V CB -1.714 30.120 31.823 0.018 0.000 0.923 93 V HN 0.490 nan 8.190 nan 0.000 0.517 94 L N -2.237 118.996 121.223 0.015 0.000 2.675 94 L HA 0.550 4.890 4.340 0.000 0.000 0.239 94 L C 0.878 177.749 176.870 0.001 0.000 1.151 94 L CA 0.905 55.790 54.840 0.074 0.000 0.905 94 L CB -0.406 41.793 42.059 0.234 0.000 1.057 94 L HN 0.280 nan 8.230 nan 0.000 0.435 95 I N -0.792 119.751 120.570 -0.045 0.000 2.696 95 I HA 0.251 4.422 4.170 0.000 0.000 0.311 95 I C -0.904 175.154 176.117 -0.098 0.000 1.500 95 I CA -0.030 61.231 61.300 -0.064 0.000 0.753 95 I CB 0.281 38.248 38.000 -0.054 0.000 2.017 95 I HN 0.020 nan 8.210 nan 0.000 0.702 96 L N 2.296 123.446 121.223 -0.120 0.000 2.416 96 L HA 0.598 4.938 4.340 0.000 0.000 0.262 96 L C 0.282 177.031 176.870 -0.202 0.000 1.093 96 L CA -0.169 54.537 54.840 -0.223 0.000 0.801 96 L CB 1.860 43.764 42.059 -0.257 0.000 1.191 96 L HN 0.295 nan 8.230 nan 0.000 0.459 97 V N 0.590 120.298 119.914 -0.342 0.000 4.364 97 V HA -0.100 4.020 4.120 0.000 0.000 0.463 97 V C -0.278 175.732 176.094 -0.140 0.000 0.683 97 V CA 0.461 62.587 62.300 -0.290 0.000 1.829 97 V CB -2.218 29.494 31.823 -0.185 0.000 2.191 97 V HN 1.402 nan 8.190 nan 0.000 0.495 98 A N 4.494 127.227 122.820 -0.145 0.000 2.839 98 A HA 0.691 5.011 4.320 0.000 0.000 0.303 98 A C 0.201 177.755 177.584 -0.050 0.000 1.181 98 A CA 0.030 52.037 52.037 -0.049 0.000 0.808 98 A CB 0.622 19.611 19.000 -0.019 0.000 1.391 98 A HN 2.331 nan 8.150 nan 0.000 0.433 99 K N 1.194 121.582 120.400 -0.020 0.000 5.420 99 K HA -0.060 4.260 4.320 0.000 0.000 0.407 99 K C 0.732 177.321 176.600 -0.019 0.000 1.074 99 K CA 0.923 57.208 56.287 -0.002 0.000 1.247 99 K CB -1.364 31.141 32.500 0.008 0.000 1.725 99 K HN 2.502 nan 8.250 nan 0.000 0.408 100 A N 1.246 124.073 122.820 0.012 0.000 3.661 100 A HA -0.243 4.077 4.320 0.000 0.000 0.269 100 A C 0.402 177.908 177.584 -0.130 0.000 1.056 100 A CA 1.749 53.809 52.037 0.038 0.000 1.159 100 A CB -1.942 17.079 19.000 0.035 0.000 1.105 100 A HN 1.940 nan 8.150 nan 0.000 0.907 101 S N -2.846 112.700 115.700 -0.258 0.000 3.393 101 S HA 0.364 4.834 4.470 0.000 0.000 0.655 101 S C 2.038 176.433 174.600 -0.342 0.000 0.634 101 S CA 1.524 59.431 58.200 -0.489 0.000 1.428 101 S CB -1.409 61.081 63.200 -1.182 0.000 0.998 101 S HN 2.699 nan 8.310 nan 0.000 0.915 102 G N 2.836 111.494 108.800 -0.238 0.000 2.203 102 G HA2 -0.393 3.567 3.960 0.000 0.000 0.263 102 G HA3 -0.393 3.567 3.960 0.000 0.000 0.263 102 G C 0.629 175.469 174.900 -0.101 0.000 1.012 102 G CA 1.114 46.119 45.100 -0.159 0.000 0.749 102 G HN 1.145 nan 8.290 nan 0.000 0.512 103 K N -2.252 118.097 120.400 -0.086 0.000 3.571 103 K HA -0.259 4.061 4.320 0.000 0.000 0.275 103 K C 1.344 177.926 176.600 -0.030 0.000 1.034 103 K CA 2.073 58.334 56.287 -0.044 0.000 1.116 103 K CB -1.645 30.837 32.500 -0.029 0.000 1.386 103 K HN 1.217 nan 8.250 nan 0.000 0.466 104 I N -0.258 120.285 120.570 -0.045 0.000 2.834 104 I HA 0.161 4.331 4.170 0.000 0.000 0.305 104 I C 0.994 177.120 176.117 0.016 0.000 1.008 104 I CA 0.214 61.505 61.300 -0.014 0.000 1.273 104 I CB 1.223 39.213 38.000 -0.017 0.000 1.432 104 I HN 0.112 nan 8.210 nan 0.000 0.557 105 S N 2.604 118.343 115.700 0.065 0.000 3.870 105 S HA 0.055 4.525 4.470 0.000 0.000 0.198 105 S C 0.238 174.998 174.600 0.267 0.000 1.336 105 S CA -0.340 57.945 58.200 0.142 0.000 1.049 105 S CB -1.416 61.843 63.200 0.098 0.000 1.412 105 S HN 0.881 nan 8.310 nan 0.000 0.448 106 W N -0.085 121.185 121.300 -0.050 0.000 1.453 106 W HA -0.395 4.265 4.660 0.000 0.000 0.232 106 W C 1.663 178.151 176.519 -0.050 0.000 0.953 106 W CA 1.344 58.649 57.345 -0.067 0.000 0.399 106 W CB -1.394 28.025 29.460 -0.067 0.000 1.953 106 W HN 0.530 nan 8.180 nan 0.000 1.387 107 K N 0.408 120.908 120.400 0.167 0.000 2.015 107 K HA -0.259 4.061 4.320 0.000 0.000 0.216 107 K C 1.551 178.185 176.600 0.057 0.000 1.052 107 K CA 2.081 58.429 56.287 0.101 0.000 0.937 107 K CB -0.358 32.181 32.500 0.066 0.000 0.719 107 K HN 0.062 nan 8.250 nan 0.000 0.446 108 E N 0.701 120.910 120.200 0.015 0.000 2.481 108 E HA -0.078 4.272 4.350 0.000 0.000 0.195 108 E C 1.710 178.284 176.600 -0.042 0.000 1.047 108 E CA 0.097 56.493 56.400 -0.006 0.000 0.867 108 E CB 0.124 29.816 29.700 -0.014 0.000 0.858 108 E HN 0.341 nan 8.360 nan 0.000 0.513 109 L N 0.635 121.790 121.223 -0.113 0.000 2.049 109 L HA -0.071 4.269 4.340 0.000 0.000 0.203 109 L C 2.102 178.874 176.870 -0.163 0.000 1.074 109 L CA 1.132 55.828 54.840 -0.240 0.000 0.749 109 L CB -0.714 41.035 42.059 -0.518 0.000 0.907 109 L HN -0.075 nan 8.230 nan 0.000 0.439 110 V N 0.680 120.566 119.914 -0.047 0.000 2.332 110 V HA -0.276 3.844 4.120 0.000 0.000 0.248 110 V C 2.796 179.006 176.094 0.194 0.000 1.055 110 V CA 1.867 64.253 62.300 0.143 0.000 1.038 110 V CB -0.819 31.134 31.823 0.217 0.000 0.651 110 V HN 0.435 nan 8.190 nan 0.000 0.450 111 R N 1.338 121.904 120.500 0.110 0.000 2.080 111 R HA -0.202 4.138 4.340 0.000 0.000 0.236 111 R C 2.080 178.464 176.300 0.140 0.000 1.137 111 R CA 2.323 58.483 56.100 0.100 0.000 0.943 111 R CB -1.282 29.045 30.300 0.045 0.000 0.846 111 R HN 0.664 nan 8.270 nan 0.000 0.431 112 N N -0.813 117.954 118.700 0.112 0.000 2.094 112 N HA -0.217 4.523 4.740 0.000 0.000 0.191 112 N C 1.390 177.092 175.510 0.320 0.000 1.023 112 N CA 1.783 54.923 53.050 0.152 0.000 0.857 112 N CB -0.366 38.160 38.487 0.065 0.000 1.013 112 N HN 0.291 nan 8.380 nan 0.000 0.426 113 W N 0.978 122.349 121.300 0.119 0.000 2.381 113 W HA 0.021 4.681 4.660 0.000 0.000 0.301 113 W C 2.402 179.101 176.519 0.300 0.000 1.205 113 W CA 1.338 58.815 57.345 0.221 0.000 1.285 113 W CB -1.060 28.519 29.460 0.198 0.000 1.133 113 W HN 0.064 nan 8.180 nan 0.000 0.521 114 T N 0.047 114.853 114.554 0.419 0.000 2.746 114 T HA -0.163 4.187 4.350 0.000 0.000 0.267 114 T C 1.988 176.890 174.700 0.337 0.000 1.039 114 T CA 1.807 64.079 62.100 0.288 0.000 1.142 114 T CB -0.709 68.259 68.868 0.168 0.000 0.866 114 T HN -0.130 nan 8.240 nan 0.000 0.444 115 V N 1.213 121.310 119.914 0.306 0.000 2.343 115 V HA -0.132 3.988 4.120 0.000 0.000 0.247 115 V C 2.631 179.000 176.094 0.458 0.000 1.051 115 V CA 1.336 63.844 62.300 0.348 0.000 1.036 115 V CB -0.633 31.330 31.823 0.233 0.000 0.654 115 V HN 0.317 nan 8.190 nan 0.000 0.451 116 V N -1.414 118.744 119.914 0.405 0.000 2.453 116 V HA -0.223 3.897 4.120 0.000 0.000 0.247 116 V C 2.130 178.434 176.094 0.351 0.000 1.048 116 V CA 1.920 64.437 62.300 0.361 0.000 1.049 116 V CB -0.696 31.345 31.823 0.363 0.000 0.672 116 V HN 0.615 nan 8.190 nan 0.000 0.457 117 Y N -0.153 120.295 120.300 0.247 0.000 2.163 117 Y HA -0.252 4.298 4.550 0.000 0.000 0.288 117 Y C 2.269 178.252 175.900 0.139 0.000 1.136 117 Y CA 1.881 60.011 58.100 0.050 0.000 1.147 117 Y CB -0.321 38.035 38.460 -0.172 0.000 0.987 117 Y HN 0.259 nan 8.280 nan 0.000 0.509 118 F N 0.358 120.465 119.950 0.263 0.000 2.102 118 F HA -0.039 4.488 4.527 0.000 0.000 0.298 118 F C 2.375 178.313 175.800 0.231 0.000 1.105 118 F CA 1.768 59.911 58.000 0.239 0.000 1.239 118 F CB -1.036 38.137 39.000 0.288 0.000 0.991 118 F HN 0.048 nan 8.300 nan 0.000 0.474 119 G N 0.269 109.209 108.800 0.234 0.000 2.459 119 G HA2 -0.357 3.603 3.960 0.000 0.000 0.217 119 G HA3 -0.357 3.603 3.960 0.000 0.000 0.217 119 G C 1.602 176.371 174.900 -0.218 0.000 1.183 119 G CA 1.078 46.066 45.100 -0.187 0.000 0.776 119 G HN 0.346 nan 8.290 nan 0.000 0.552 120 N N 0.220 118.869 118.700 -0.085 0.000 2.094 120 N HA -0.121 4.619 4.740 0.000 0.000 0.191 120 N C 2.020 177.454 175.510 -0.126 0.000 1.023 120 N CA 1.177 54.174 53.050 -0.089 0.000 0.857 120 N CB -0.487 37.964 38.487 -0.061 0.000 1.013 120 N HN 0.323 nan 8.380 nan 0.000 0.426 121 L N 0.502 121.616 121.223 -0.181 0.000 2.027 121 L HA -0.062 4.278 4.340 0.000 0.000 0.206 121 L C 2.168 178.964 176.870 -0.124 0.000 1.074 121 L CA 1.500 56.259 54.840 -0.135 0.000 0.745 121 L CB -0.849 41.142 42.059 -0.113 0.000 0.898 121 L HN 0.140 nan 8.230 nan 0.000 0.433 122 C N 0.199 119.340 119.300 -0.266 0.000 2.413 122 C HA -0.096 4.364 4.460 0.000 0.000 0.276 122 C C 2.815 177.734 174.990 -0.119 0.000 1.236 122 C CA 0.756 59.635 59.018 -0.232 0.000 1.735 122 C CB -1.967 25.551 27.740 -0.370 0.000 2.031 122 C HN 0.774 nan 8.230 nan 0.000 0.474 123 G N 0.400 109.110 108.800 -0.152 0.000 2.476 123 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 123 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 123 G C 1.788 176.690 174.900 0.003 0.000 1.164 123 G CA 1.441 46.489 45.100 -0.086 0.000 0.768 123 G HN 0.567 nan 8.290 nan 0.000 0.560 124 S N 0.444 116.166 115.700 0.037 0.000 2.368 124 S HA -0.085 4.385 4.470 0.000 0.000 0.225 124 S C 2.264 176.982 174.600 0.197 0.000 1.030 124 S CA 0.967 59.259 58.200 0.153 0.000 0.999 124 S CB -0.142 63.158 63.200 0.167 0.000 0.844 124 S HN 0.231 nan 8.310 nan 0.000 0.459 125 I N 1.587 122.237 120.570 0.135 0.000 2.252 125 I HA -0.061 4.109 4.170 0.000 0.000 0.245 125 I C 2.130 178.409 176.117 0.270 0.000 1.102 125 I CA 0.816 62.219 61.300 0.171 0.000 1.385 125 I CB -1.335 36.777 38.000 0.187 0.000 1.064 125 I HN 0.254 nan 8.210 nan 0.000 0.414 126 I N 0.276 120.969 120.570 0.206 0.000 2.151 126 I HA -0.334 3.836 4.170 0.000 0.000 0.243 126 I C 2.534 178.772 176.117 0.202 0.000 1.080 126 I CA 1.272 62.689 61.300 0.196 0.000 1.339 126 I CB -0.333 37.709 38.000 0.071 0.000 1.039 126 I HN 0.192 nan 8.210 nan 0.000 0.409 127 L N 0.217 121.541 121.223 0.169 0.000 2.046 127 L HA -0.147 4.193 4.340 0.000 0.000 0.208 127 L C 2.400 179.444 176.870 0.290 0.000 1.077 127 L CA 1.615 56.560 54.840 0.175 0.000 0.747 127 L CB -0.437 41.675 42.059 0.089 0.000 0.896 127 L HN -0.025 nan 8.230 nan 0.000 0.432 128 V N -0.451 119.637 119.914 0.290 0.000 2.282 128 V HA -0.346 3.774 4.120 0.000 0.000 0.249 128 V C 2.349 178.402 176.094 -0.068 0.000 1.057 128 V CA 2.320 64.643 62.300 0.038 0.000 1.032 128 V CB -0.769 30.923 31.823 -0.218 0.000 0.645 128 V HN 0.359 nan 8.190 nan 0.000 0.447 129 F N -0.343 119.626 119.950 0.033 0.000 2.102 129 F HA -0.133 4.395 4.527 0.000 0.000 0.298 129 F C 2.172 177.955 175.800 -0.028 0.000 1.105 129 F CA 1.776 59.759 58.000 -0.027 0.000 1.239 129 F CB -0.552 38.435 39.000 -0.023 0.000 0.991 129 F HN 0.066 nan 8.300 nan 0.000 0.474 130 I N -0.931 119.753 120.570 0.190 0.000 2.179 130 I HA -0.331 3.839 4.170 0.000 0.000 0.242 130 I C 2.368 178.528 176.117 0.071 0.000 1.088 130 I CA 0.968 62.328 61.300 0.099 0.000 1.357 130 I CB -0.432 37.610 38.000 0.069 0.000 1.051 130 I HN 0.097 nan 8.210 nan 0.000 0.409 131 M N 0.232 119.891 119.600 0.099 0.000 2.159 131 M HA -0.160 4.320 4.480 0.000 0.000 0.263 131 M C 2.455 178.803 176.300 0.080 0.000 1.063 131 M CA 1.800 57.162 55.300 0.104 0.000 1.110 131 M CB -1.130 31.598 32.600 0.212 0.000 1.374 131 M HN 0.258 nan 8.290 nan 0.000 0.411 132 L N -0.171 121.074 121.223 0.037 0.000 2.012 132 L HA -0.188 4.152 4.340 0.000 0.000 0.210 132 L C 2.704 179.598 176.870 0.040 0.000 1.073 132 L CA 1.337 56.198 54.840 0.035 0.000 0.748 132 L CB -0.971 40.960 42.059 -0.212 0.000 0.891 132 L HN 0.278 nan 8.230 nan 0.000 0.431 133 A N 0.045 122.863 122.820 -0.003 0.000 1.978 133 A HA -0.237 4.083 4.320 0.000 0.000 0.220 133 A C 2.402 179.967 177.584 -0.031 0.000 1.170 133 A CA 2.234 54.264 52.037 -0.012 0.000 0.636 133 A CB -1.017 17.985 19.000 0.003 0.000 0.810 133 A HN 0.567 nan 8.150 nan 0.000 0.448 134 T N -3.688 110.848 114.554 -0.030 0.000 2.962 134 T HA -0.082 4.268 4.350 0.000 0.000 0.270 134 T C 0.999 175.609 174.700 -0.149 0.000 1.088 134 T CA 0.852 62.913 62.100 -0.065 0.000 1.127 134 T CB -0.439 68.404 68.868 -0.042 0.000 0.883 134 T HN 0.600 nan 8.240 nan 0.000 0.493 135 R N 0.404 120.768 120.500 -0.226 0.000 3.758 135 R HA -0.246 4.094 4.340 0.000 0.000 0.299 135 R C 1.382 177.290 176.300 -0.653 0.000 1.182 135 R CA 0.862 56.574 56.100 -0.647 0.000 0.809 135 R CB -2.128 27.864 30.300 -0.513 0.000 1.249 135 R HN 0.632 nan 8.270 nan 0.000 0.497 136 Q N 0.642 120.256 119.800 -0.309 0.000 2.181 136 Q HA -0.216 4.124 4.340 0.000 0.000 0.205 136 Q C 1.715 177.629 176.000 -0.143 0.000 0.980 136 Q CA 2.135 57.839 55.803 -0.165 0.000 0.862 136 Q CB -0.132 28.588 28.738 -0.030 0.000 0.905 136 Q HN 0.659 nan 8.270 nan 0.000 0.429 137 F N -1.061 118.860 119.950 -0.048 0.000 2.287 137 F HA -0.168 4.359 4.527 0.000 0.000 0.301 137 F C 1.600 177.419 175.800 0.032 0.000 1.069 137 F CA 0.631 58.594 58.000 -0.062 0.000 1.372 137 F CB -0.515 38.353 39.000 -0.221 0.000 1.056 137 F HN 0.047 nan 8.300 nan 0.000 0.523 138 M N 0.235 119.637 119.600 -0.330 0.000 2.492 138 M HA 0.038 4.518 4.480 0.000 0.000 0.262 138 M C 0.655 176.952 176.300 -0.006 0.000 1.090 138 M CA 0.534 55.795 55.300 -0.066 0.000 1.110 138 M CB -0.984 31.487 32.600 -0.214 0.000 1.407 138 M HN 0.104 nan 8.290 nan 0.000 0.470 139 E N 1.499 121.681 120.200 -0.030 0.000 2.436 139 E HA -0.072 4.279 4.350 0.000 0.000 0.262 139 E C 0.180 176.789 176.600 0.015 0.000 1.063 139 E CA 0.393 56.785 56.400 -0.012 0.000 0.944 139 E CB 0.163 29.857 29.700 -0.009 0.000 0.950 139 E HN 0.173 nan 8.360 nan 0.000 0.444 140 D N 0.689 121.092 120.400 0.004 0.000 2.697 140 D HA -0.188 4.452 4.640 0.000 0.000 0.238 140 D C 0.598 176.894 176.300 -0.007 0.000 1.152 140 D CA 1.611 55.615 54.000 0.006 0.000 0.666 140 D CB -1.303 39.510 40.800 0.021 0.000 1.037 140 D HN 0.795 nan 8.370 nan 0.000 0.423 141 G N -0.668 108.121 108.800 -0.019 0.000 2.258 141 G HA2 0.030 3.990 3.960 0.000 0.000 0.274 141 G HA3 0.030 3.990 3.960 0.000 0.000 0.274 141 G C 1.521 176.367 174.900 -0.089 0.000 1.021 141 G CA 0.940 46.012 45.100 -0.046 0.000 0.798 141 G HN 1.799 nan 8.290 nan 0.000 0.507 142 G N -1.913 106.870 108.800 -0.028 0.000 2.225 142 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 142 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 142 G C 1.195 176.097 174.900 0.004 0.000 0.988 142 G CA 1.143 46.232 45.100 -0.019 0.000 0.625 142 G HN 0.827 nan 8.290 nan 0.000 0.527 143 Q N -0.124 119.666 119.800 -0.016 0.000 2.248 143 Q HA -0.022 4.318 4.340 0.000 0.000 0.208 143 Q C 2.665 178.711 176.000 0.075 0.000 0.984 143 Q CA 1.601 57.414 55.803 0.016 0.000 0.875 143 Q CB -0.205 28.545 28.738 0.019 0.000 0.910 143 Q HN 0.731 nan 8.270 nan 0.000 0.433 144 L N -0.093 121.190 121.223 0.100 0.000 2.027 144 L HA -0.077 4.263 4.340 0.000 0.000 0.206 144 L C 2.180 179.141 176.870 0.152 0.000 1.074 144 L CA 1.661 56.569 54.840 0.115 0.000 0.745 144 L CB -0.759 41.360 42.059 0.100 0.000 0.898 144 L HN 0.261 nan 8.230 nan 0.000 0.433 145 G N 0.008 108.953 108.800 0.242 0.000 2.469 145 G HA2 -0.278 3.682 3.960 0.000 0.000 0.219 145 G HA3 -0.278 3.682 3.960 0.000 0.000 0.219 145 G C 1.544 176.544 174.900 0.167 0.000 1.150 145 G CA 1.193 46.435 45.100 0.237 0.000 0.763 145 G HN 0.381 nan 8.290 nan 0.000 0.561 146 L N 0.229 121.574 121.223 0.204 0.000 2.046 146 L HA -0.106 4.234 4.340 0.000 0.000 0.208 146 L C 2.741 179.683 176.870 0.119 0.000 1.077 146 L CA 1.355 56.274 54.840 0.133 0.000 0.747 146 L CB -0.529 41.581 42.059 0.084 0.000 0.896 146 L HN 0.241 nan 8.230 nan 0.000 0.432 147 N N 0.541 119.304 118.700 0.106 0.000 2.069 147 N HA -0.190 4.551 4.740 0.000 0.000 0.191 147 N C 1.780 177.348 175.510 0.097 0.000 1.031 147 N CA 1.798 54.910 53.050 0.103 0.000 0.852 147 N CB -0.088 38.456 38.487 0.095 0.000 1.018 147 N HN 0.285 nan 8.380 nan 0.000 0.423 148 A N 0.465 123.329 122.820 0.073 0.000 1.908 148 A HA -0.132 4.188 4.320 0.000 0.000 0.218 148 A C 2.347 179.909 177.584 -0.036 0.000 1.181 148 A CA 1.661 53.708 52.037 0.017 0.000 0.627 148 A CB -0.559 18.434 19.000 -0.011 0.000 0.818 148 A HN 0.415 nan 8.150 nan 0.000 0.445 149 M N -0.748 118.835 119.600 -0.029 0.000 2.132 149 M HA -0.092 4.388 4.480 0.000 0.000 0.263 149 M C 2.567 178.938 176.300 0.118 0.000 1.065 149 M CA 1.294 56.585 55.300 -0.016 0.000 1.122 149 M CB -0.446 32.080 32.600 -0.124 0.000 1.365 149 M HN 0.473 nan 8.290 nan 0.000 0.411 150 A N 0.801 123.723 122.820 0.169 0.000 1.908 150 A HA -0.152 4.168 4.320 0.000 0.000 0.218 150 A C 2.072 179.742 177.584 0.143 0.000 1.181 150 A CA 1.530 53.673 52.037 0.177 0.000 0.627 150 A CB -0.921 18.173 19.000 0.157 0.000 0.818 150 A HN 0.439 nan 8.150 nan 0.000 0.445 151 I N -0.321 120.314 120.570 0.107 0.000 2.226 151 I HA -0.239 3.931 4.170 0.000 0.000 0.245 151 I C 2.662 178.810 176.117 0.052 0.000 1.100 151 I CA 1.594 62.955 61.300 0.102 0.000 1.374 151 I CB -0.161 37.887 38.000 0.081 0.000 1.057 151 I HN 0.231 nan 8.210 nan 0.000 0.413 152 S N -0.114 115.565 115.700 -0.036 0.000 2.387 152 S HA -0.175 4.295 4.470 0.000 0.000 0.226 152 S C 1.904 176.489 174.600 -0.025 0.000 1.026 152 S CA 0.992 59.134 58.200 -0.096 0.000 0.972 152 S CB -0.187 62.886 63.200 -0.212 0.000 0.814 152 S HN 0.465 nan 8.310 nan 0.000 0.477 153 Q N 0.276 120.112 119.800 0.060 0.000 2.124 153 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 153 Q C 2.031 178.132 176.000 0.169 0.000 0.977 153 Q CA 1.243 57.117 55.803 0.119 0.000 0.850 153 Q CB -0.335 28.518 28.738 0.192 0.000 0.901 153 Q HN 0.656 nan 8.270 nan 0.000 0.429 154 H N 1.361 120.477 119.070 0.077 0.000 2.456 154 H HA -0.043 4.513 4.556 0.000 0.000 0.296 154 H C 1.101 176.373 175.328 -0.093 0.000 1.079 154 H CA 1.038 57.126 56.048 0.066 0.000 1.322 154 H CB 0.382 30.206 29.762 0.103 0.000 1.388 154 H HN 0.119 nan 8.280 nan 0.000 0.538 155 K N 0.412 120.735 120.400 -0.130 0.000 2.525 155 K HA 0.073 4.394 4.320 0.000 0.000 0.192 155 K C 1.249 177.638 176.600 -0.351 0.000 1.029 155 K CA 0.113 56.257 56.287 -0.240 0.000 1.029 155 K CB 0.482 32.996 32.500 0.024 0.000 0.814 155 K HN 0.307 nan 8.250 nan 0.000 0.503 156 L N 0.366 121.378 121.223 -0.352 0.000 2.769 156 L HA 0.128 4.468 4.340 0.000 0.000 0.240 156 L C 0.483 176.949 176.870 -0.673 0.000 1.163 156 L CA 0.037 54.626 54.840 -0.419 0.000 0.962 156 L CB 0.171 41.997 42.059 -0.389 0.000 1.258 156 L HN 0.275 nan 8.230 nan 0.000 0.513 157 H N -2.108 116.782 119.070 -0.299 0.000 2.885 157 H HA 0.250 4.806 4.556 0.000 0.000 0.254 157 H C 0.010 175.254 175.328 -0.140 0.000 1.185 157 H CA -0.378 55.567 56.048 -0.172 0.000 1.029 157 H CB 0.570 30.259 29.762 -0.121 0.000 1.743 157 H HN 0.195 nan 8.280 nan 0.000 0.632 158 H N 1.764 120.843 119.070 0.015 0.000 2.690 158 H HA 0.068 4.624 4.556 0.000 0.000 0.365 158 H C 1.148 176.508 175.328 0.055 0.000 1.142 158 H CA 0.259 56.319 56.048 0.019 0.000 1.417 158 H CB 0.831 30.588 29.762 -0.008 0.000 1.446 158 H HN 0.205 nan 8.280 nan 0.000 0.599 159 T N -1.340 113.339 114.554 0.208 0.000 2.813 159 T HA -0.003 4.347 4.350 0.000 0.000 0.297 159 T C 1.460 176.280 174.700 0.201 0.000 1.036 159 T CA -0.611 61.598 62.100 0.182 0.000 1.044 159 T CB 0.533 69.494 68.868 0.155 0.000 0.993 159 T HN 0.463 nan 8.240 nan 0.000 0.535 160 F N 1.242 121.242 119.950 0.083 0.000 2.091 160 F HA -0.079 4.448 4.527 0.000 0.000 0.299 160 F C 2.006 177.870 175.800 0.106 0.000 1.103 160 F CA 1.774 59.821 58.000 0.080 0.000 1.228 160 F CB -0.403 38.618 39.000 0.034 0.000 0.984 160 F HN 0.532 nan 8.300 nan 0.000 0.477 161 L N 0.502 121.897 121.223 0.287 0.000 2.056 161 L HA -0.180 4.160 4.340 0.000 0.000 0.207 161 L C 2.435 179.404 176.870 0.165 0.000 1.078 161 L CA 2.127 57.099 54.840 0.220 0.000 0.749 161 L CB -1.345 40.814 42.059 0.165 0.000 0.901 161 L HN 0.415 nan 8.230 nan 0.000 0.433 162 Q N -0.461 119.404 119.800 0.108 0.000 2.061 162 Q HA -0.238 4.102 4.340 0.000 0.000 0.204 162 Q C 2.109 178.069 176.000 -0.066 0.000 0.984 162 Q CA 2.147 57.970 55.803 0.033 0.000 0.846 162 Q CB -0.271 28.497 28.738 0.049 0.000 0.902 162 Q HN 0.637 nan 8.270 nan 0.000 0.421 163 A N 0.332 123.123 122.820 -0.047 0.000 1.902 163 A HA -0.188 4.132 4.320 0.000 0.000 0.217 163 A C 1.874 179.391 177.584 -0.111 0.000 1.181 163 A CA 1.332 53.311 52.037 -0.097 0.000 0.623 163 A CB -1.026 17.968 19.000 -0.011 0.000 0.818 163 A HN 0.651 nan 8.150 nan 0.000 0.443 164 F N 1.055 120.857 119.950 -0.246 0.000 2.095 164 F HA -0.098 4.429 4.527 0.000 0.000 0.298 164 F C 2.479 178.196 175.800 -0.137 0.000 1.104 164 F CA 1.427 59.303 58.000 -0.207 0.000 1.232 164 F CB -0.406 38.490 39.000 -0.173 0.000 0.987 164 F HN 0.246 nan 8.300 nan 0.000 0.475 165 A N 0.810 123.596 122.820 -0.057 0.000 1.902 165 A HA -0.130 4.190 4.320 0.000 0.000 0.217 165 A C 2.295 179.693 177.584 -0.309 0.000 1.181 165 A CA 1.769 53.703 52.037 -0.172 0.000 0.623 165 A CB -1.243 17.748 19.000 -0.015 0.000 0.818 165 A HN 0.515 nan 8.150 nan 0.000 0.443 166 L N -0.685 120.397 121.223 -0.234 0.000 2.042 166 L HA -0.175 4.165 4.340 0.000 0.000 0.210 166 L C 2.803 179.518 176.870 -0.258 0.000 1.076 166 L CA 1.190 55.905 54.840 -0.209 0.000 0.749 166 L CB -0.780 41.198 42.059 -0.134 0.000 0.893 166 L HN 0.512 nan 8.230 nan 0.000 0.432 167 G N -0.169 108.462 108.800 -0.281 0.000 2.408 167 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 167 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 167 G C 1.541 176.205 174.900 -0.394 0.000 1.150 167 G CA 0.522 45.446 45.100 -0.294 0.000 0.776 167 G HN 0.192 nan 8.290 nan 0.000 0.542 168 L N 0.403 121.306 121.223 -0.532 0.000 2.017 168 L HA 0.044 4.384 4.340 0.000 0.000 0.208 168 L C 2.634 179.256 176.870 -0.414 0.000 1.073 168 L CA 1.672 56.220 54.840 -0.487 0.000 0.745 168 L CB -0.479 41.248 42.059 -0.553 0.000 0.894 168 L HN 0.081 nan 8.230 nan 0.000 0.432 169 M N -1.157 118.102 119.600 -0.567 0.000 2.159 169 M HA -0.216 4.264 4.480 0.000 0.000 0.263 169 M C 2.618 178.580 176.300 -0.564 0.000 1.063 169 M CA 1.682 56.514 55.300 -0.781 0.000 1.110 169 M CB -2.070 29.456 32.600 -1.791 0.000 1.374 169 M HN 0.614 nan 8.290 nan 0.000 0.411 170 C N 1.120 120.149 119.300 -0.452 0.000 2.413 170 C HA -0.196 4.264 4.460 0.000 0.000 0.277 170 C C 2.612 177.369 174.990 -0.387 0.000 1.228 170 C CA 1.708 60.517 59.018 -0.350 0.000 1.731 170 C CB -1.163 26.365 27.740 -0.353 0.000 2.042 170 C HN 0.586 nan 8.230 nan 0.000 0.468 171 N N 0.331 118.844 118.700 -0.312 0.000 2.396 171 N HA 0.043 4.783 4.740 0.000 0.000 0.180 171 N C 1.545 176.933 175.510 -0.204 0.000 1.028 171 N CA 1.108 54.008 53.050 -0.250 0.000 0.893 171 N CB -0.458 37.900 38.487 -0.215 0.000 0.967 171 N HN 0.656 nan 8.380 nan 0.000 0.440 172 I N -0.007 120.467 120.570 -0.160 0.000 2.127 172 I HA -0.274 3.896 4.170 0.000 0.000 0.241 172 I C 1.862 177.954 176.117 -0.042 0.000 1.075 172 I CA 0.750 62.012 61.300 -0.063 0.000 1.334 172 I CB -0.230 37.751 38.000 -0.032 0.000 1.040 172 I HN 0.182 nan 8.210 nan 0.000 0.405 173 L N 0.313 121.527 121.223 -0.015 0.000 2.042 173 L HA -0.193 4.147 4.340 0.000 0.000 0.210 173 L C 2.610 179.483 176.870 0.006 0.000 1.076 173 L CA 1.782 56.664 54.840 0.070 0.000 0.749 173 L CB -1.097 41.096 42.059 0.224 0.000 0.893 173 L HN 0.152 nan 8.230 nan 0.000 0.432 174 V N -1.172 118.683 119.914 -0.097 0.000 2.358 174 V HA -0.285 3.835 4.120 0.000 0.000 0.246 174 V C 2.694 178.678 176.094 -0.183 0.000 1.047 174 V CA 1.526 63.769 62.300 -0.095 0.000 1.035 174 V CB -0.586 31.167 31.823 -0.117 0.000 0.658 174 V HN 0.475 nan 8.190 nan 0.000 0.452 175 C N -0.214 118.878 119.300 -0.347 0.000 2.425 175 C HA -0.098 4.362 4.460 0.000 0.000 0.277 175 C C 2.673 177.279 174.990 -0.640 0.000 1.280 175 C CA 0.719 59.307 59.018 -0.716 0.000 1.744 175 C CB -1.132 25.827 27.740 -1.301 0.000 1.989 175 C HN 0.520 nan 8.230 nan 0.000 0.491 176 L N 1.003 122.064 121.223 -0.270 0.000 2.042 176 L HA -0.196 4.145 4.340 0.000 0.000 0.210 176 L C 2.864 179.788 176.870 0.091 0.000 1.076 176 L CA 1.733 56.634 54.840 0.102 0.000 0.749 176 L CB -0.740 41.422 42.059 0.171 0.000 0.893 176 L HN 0.365 nan 8.230 nan 0.000 0.432 177 A N -0.401 122.422 122.820 0.005 0.000 1.855 177 A HA -0.137 4.183 4.320 0.000 0.000 0.215 177 A C 2.311 179.847 177.584 -0.081 0.000 1.191 177 A CA 1.713 53.752 52.037 0.003 0.000 0.613 177 A CB -0.894 18.124 19.000 0.030 0.000 0.829 177 A HN 0.156 nan 8.150 nan 0.000 0.442 178 V N -0.686 119.138 119.914 -0.149 0.000 2.287 178 V HA -0.291 3.829 4.120 0.000 0.000 0.248 178 V C 2.293 178.027 176.094 -0.600 0.000 1.053 178 V CA 1.914 64.050 62.300 -0.273 0.000 1.027 178 V CB -1.077 30.609 31.823 -0.228 0.000 0.646 178 V HN 0.839 nan 8.190 nan 0.000 0.447 179 W N 0.455 121.343 121.300 -0.686 0.000 2.317 179 W HA -0.277 4.383 4.660 0.000 0.000 0.318 179 W C 2.385 178.642 176.519 -0.436 0.000 1.227 179 W CA 2.288 59.197 57.345 -0.726 0.000 1.269 179 W CB -0.396 28.982 29.460 -0.138 0.000 1.155 179 W HN 0.246 nan 8.180 nan 0.000 0.484 180 M N 0.816 120.279 119.600 -0.229 0.000 2.195 180 M HA -0.223 4.257 4.480 0.000 0.000 0.260 180 M C 2.143 178.291 176.300 -0.253 0.000 1.066 180 M CA 2.581 57.763 55.300 -0.197 0.000 1.089 180 M CB -0.919 31.685 32.600 0.007 0.000 1.377 180 M HN 0.076 nan 8.290 nan 0.000 0.411 181 T N -1.589 112.805 114.554 -0.267 0.000 2.962 181 T HA -0.087 4.263 4.350 0.000 0.000 0.270 181 T C 1.360 176.041 174.700 -0.032 0.000 1.088 181 T CA 0.651 62.671 62.100 -0.133 0.000 1.127 181 T CB -0.471 68.350 68.868 -0.078 0.000 0.883 181 T HN 0.164 nan 8.240 nan 0.000 0.493 182 F N 3.073 122.849 119.950 -0.290 0.000 2.333 182 F HA 0.075 4.602 4.527 0.000 0.000 0.300 182 F C 2.571 178.212 175.800 -0.263 0.000 1.083 182 F CA 0.357 58.167 58.000 -0.316 0.000 1.395 182 F CB -0.982 37.704 39.000 -0.523 0.000 1.056 182 F HN 0.396 nan 8.300 nan 0.000 0.529 183 S N -1.267 114.379 115.700 -0.090 0.000 2.557 183 S HA 0.546 5.016 4.470 0.000 0.000 0.223 183 S C 0.861 175.443 174.600 -0.029 0.000 0.969 183 S CA -0.132 58.031 58.200 -0.062 0.000 0.927 183 S CB -0.520 62.636 63.200 -0.074 0.000 0.806 183 S HN 0.147 nan 8.310 nan 0.000 0.489 184 A N 2.757 125.565 122.820 -0.021 0.000 2.445 184 A HA 0.498 4.818 4.320 0.000 0.000 0.242 184 A C 1.253 178.836 177.584 -0.001 0.000 1.075 184 A CA -0.530 51.503 52.037 -0.008 0.000 0.777 184 A CB 0.234 19.232 19.000 -0.004 0.000 1.013 184 A HN 0.638 nan 8.150 nan 0.000 0.493 185 R N 0.178 120.678 120.500 -0.000 0.000 2.531 185 R HA 0.236 4.576 4.340 0.000 0.000 0.316 185 R C -0.107 176.194 176.300 0.001 0.000 0.955 185 R CA 0.634 56.734 56.100 0.000 0.000 1.120 185 R CB -0.028 30.273 30.300 0.001 0.000 1.361 185 R HN 0.777 nan 8.270 nan 0.000 0.534 186 S N -0.777 114.923 115.700 0.001 0.000 2.671 186 S HA 0.359 4.829 4.470 0.000 0.000 0.277 186 S C 0.690 175.291 174.600 0.002 0.000 1.165 186 S CA -1.027 57.174 58.200 0.001 0.000 0.822 186 S CB 1.200 64.401 63.200 0.001 0.000 1.150 186 S HN 0.017 nan 8.310 nan 0.000 0.479 187 L N 0.589 121.812 121.223 0.001 0.000 2.056 187 L HA -0.054 4.286 4.340 0.000 0.000 0.207 187 L C 2.729 179.600 176.870 0.001 0.000 1.078 187 L CA 1.652 56.492 54.840 0.001 0.000 0.749 187 L CB -1.227 40.831 42.059 -0.001 0.000 0.901 187 L HN 0.831 nan 8.230 nan 0.000 0.433 188 T N -0.679 113.876 114.554 0.001 0.000 2.635 188 T HA -0.222 4.129 4.350 0.000 0.000 0.267 188 T C 1.443 176.144 174.700 0.002 0.000 1.040 188 T CA 1.736 63.837 62.100 0.002 0.000 1.156 188 T CB -0.334 68.535 68.868 0.002 0.000 0.863 188 T HN 0.295 nan 8.240 nan 0.000 0.430 189 D N 0.934 121.335 120.400 0.002 0.000 2.157 189 D HA -0.118 4.522 4.640 0.000 0.000 0.191 189 D C 2.206 178.505 176.300 -0.001 0.000 1.004 189 D CA 1.274 55.275 54.000 0.001 0.000 0.854 189 D CB -0.157 40.643 40.800 -0.000 0.000 0.936 189 D HN 0.443 nan 8.370 nan 0.000 0.446 190 K N 0.051 120.450 120.400 -0.001 0.000 2.025 190 K HA -0.045 4.275 4.320 0.000 0.000 0.207 190 K C 2.280 178.880 176.600 0.000 0.000 1.049 190 K CA 0.637 56.923 56.287 -0.003 0.000 0.933 190 K CB -0.297 32.205 32.500 0.002 0.000 0.714 190 K HN 0.022 nan 8.250 nan 0.000 0.438 191 V N 1.893 121.808 119.914 0.003 0.000 2.287 191 V HA -0.284 3.836 4.120 0.000 0.000 0.248 191 V C 2.407 178.505 176.094 0.007 0.000 1.053 191 V CA 1.625 63.928 62.300 0.005 0.000 1.027 191 V CB -0.389 31.437 31.823 0.005 0.000 0.646 191 V HN 0.350 nan 8.190 nan 0.000 0.447 192 M N 0.184 119.788 119.600 0.006 0.000 2.149 192 M HA -0.109 4.371 4.480 0.000 0.000 0.261 192 M C 2.229 178.536 176.300 0.012 0.000 1.064 192 M CA 1.934 57.239 55.300 0.008 0.000 1.102 192 M CB -1.221 31.384 32.600 0.008 0.000 1.369 192 M HN 0.539 nan 8.290 nan 0.000 0.408 193 V N -3.456 116.464 119.914 0.011 0.000 3.506 193 V HA 0.031 4.151 4.120 0.000 0.000 0.263 193 V C 1.907 178.013 176.094 0.020 0.000 1.203 193 V CA 0.578 62.888 62.300 0.016 0.000 1.133 193 V CB -0.623 31.205 31.823 0.008 0.000 0.802 193 V HN 0.339 nan 8.190 nan 0.000 0.459 194 L N -0.465 120.768 121.223 0.016 0.000 2.249 194 L HA 0.150 4.491 4.340 0.000 0.000 0.207 194 L C 2.525 179.416 176.870 0.035 0.000 1.090 194 L CA 1.093 55.948 54.840 0.025 0.000 0.802 194 L CB -0.189 41.882 42.059 0.019 0.000 0.947 194 L HN 0.244 nan 8.230 nan 0.000 0.453 195 I N 0.002 120.585 120.570 0.022 0.000 2.142 195 I HA -0.333 3.837 4.170 0.000 0.000 0.240 195 I C 2.386 178.507 176.117 0.007 0.000 1.078 195 I CA 1.583 62.890 61.300 0.012 0.000 1.343 195 I CB -0.272 37.729 38.000 0.003 0.000 1.046 195 I HN 0.212 nan 8.210 nan 0.000 0.405 196 L N 0.317 121.548 121.223 0.013 0.000 2.056 196 L HA -0.104 4.237 4.340 0.000 0.000 0.207 196 L C -0.272 176.614 176.870 0.027 0.000 1.078 196 L CA 1.288 56.134 54.840 0.010 0.000 0.749 196 L CB -2.052 40.017 42.059 0.016 0.000 0.901 196 L HN 0.201 nan 8.230 nan 0.000 0.433 197 P HA -0.105 nan 4.420 nan 0.000 0.218 197 P C 1.928 179.319 177.300 0.151 0.000 1.149 197 P CA 1.060 64.226 63.100 0.111 0.000 0.817 197 P CB 0.060 31.832 31.700 0.120 0.000 0.785 198 V N 0.517 120.496 119.914 0.108 0.000 2.283 198 V HA -0.195 3.925 4.120 0.000 0.000 0.243 198 V C 2.588 178.537 176.094 -0.242 0.000 1.039 198 V CA 2.174 64.501 62.300 0.046 0.000 1.016 198 V CB -1.748 30.126 31.823 0.085 0.000 0.650 198 V HN 0.084 nan 8.190 nan 0.000 0.449 199 A N -0.346 122.388 122.820 -0.144 0.000 1.940 199 A HA -0.276 4.044 4.320 0.000 0.000 0.219 199 A C 2.250 179.707 177.584 -0.212 0.000 1.176 199 A CA 2.334 54.261 52.037 -0.184 0.000 0.631 199 A CB -0.545 18.391 19.000 -0.107 0.000 0.814 199 A HN 0.445 nan 8.150 nan 0.000 0.446 200 M N -0.345 119.178 119.600 -0.127 0.000 2.077 200 M HA -0.098 4.382 4.480 0.000 0.000 0.261 200 M C 2.174 178.358 176.300 -0.193 0.000 1.070 200 M CA 2.373 57.608 55.300 -0.108 0.000 1.125 200 M CB -0.889 31.714 32.600 0.005 0.000 1.339 200 M HN 0.595 nan 8.290 nan 0.000 0.409 201 F N 0.499 120.359 119.950 -0.149 0.000 2.186 201 F HA -0.066 4.461 4.527 0.000 0.000 0.299 201 F C 1.803 177.410 175.800 -0.322 0.000 1.090 201 F CA 1.311 59.204 58.000 -0.179 0.000 1.307 201 F CB -1.569 37.513 39.000 0.137 0.000 1.019 201 F HN -0.026 nan 8.300 nan 0.000 0.489 202 V N 1.276 120.498 119.914 -1.153 0.000 2.270 202 V HA -0.266 3.854 4.120 0.000 0.000 0.245 202 V C 2.900 178.705 176.094 -0.481 0.000 1.043 202 V CA 2.265 63.950 62.300 -1.025 0.000 1.014 202 V CB -1.200 29.858 31.823 -1.274 0.000 0.645 202 V HN 0.659 nan 8.190 nan 0.000 0.447 203 S N -1.073 114.410 115.700 -0.362 0.000 2.442 203 S HA -0.145 4.325 4.470 0.000 0.000 0.236 203 S C 1.879 176.344 174.600 -0.225 0.000 1.007 203 S CA 1.589 59.654 58.200 -0.225 0.000 0.965 203 S CB -0.341 62.746 63.200 -0.188 0.000 0.773 203 S HN 0.421 nan 8.310 nan 0.000 0.504 204 S N 0.300 115.779 115.700 -0.368 0.000 2.558 204 S HA 0.386 4.856 4.470 0.000 0.000 0.217 204 S C 1.374 175.787 174.600 -0.312 0.000 0.975 204 S CA 0.476 58.385 58.200 -0.486 0.000 0.912 204 S CB -0.456 62.023 63.200 -1.202 0.000 0.776 204 S HN 1.105 nan 8.310 nan 0.000 0.526 205 G N 1.419 110.127 108.800 -0.152 0.000 2.179 205 G HA2 -0.248 3.712 3.960 0.000 0.000 0.257 205 G HA3 -0.248 3.712 3.960 0.000 0.000 0.257 205 G C -0.029 175.025 174.900 0.257 0.000 1.010 205 G CA -0.165 44.987 45.100 0.086 0.000 0.736 205 G HN 0.374 nan 8.290 nan 0.000 0.513 206 F N 0.886 120.934 119.950 0.163 0.000 2.506 206 F HA 0.365 4.892 4.527 0.000 0.000 0.351 206 F C 1.063 176.983 175.800 0.201 0.000 1.136 206 F CA -0.984 57.115 58.000 0.164 0.000 1.298 206 F CB 0.563 39.683 39.000 0.200 0.000 1.145 206 F HN 0.085 nan 8.300 nan 0.000 0.593 207 E N 1.761 122.120 120.200 0.264 0.000 2.156 207 E HA 0.105 4.455 4.350 0.000 0.000 0.279 207 E C -0.644 176.038 176.600 0.136 0.000 0.965 207 E CA -0.328 56.199 56.400 0.212 0.000 0.789 207 E CB 1.496 31.277 29.700 0.135 0.000 1.098 207 E HN 0.470 nan 8.360 nan 0.000 0.397 208 H N 2.837 121.998 119.070 0.150 0.000 2.511 208 H HA 0.086 4.642 4.556 0.000 0.000 0.328 208 H C 1.101 176.534 175.328 0.175 0.000 1.044 208 H CA -0.538 55.569 56.048 0.099 0.000 1.212 208 H CB 0.954 30.800 29.762 0.140 0.000 1.428 208 H HN 0.704 nan 8.280 nan 0.000 0.483 209 C N 4.572 123.820 119.300 -0.086 0.000 2.440 209 C HA -0.012 4.448 4.460 0.000 0.000 0.278 209 C C 2.366 177.448 174.990 0.153 0.000 1.295 209 C CA -0.201 58.848 59.018 0.051 0.000 1.738 209 C CB -0.802 26.917 27.740 -0.035 0.000 1.987 209 C HN 0.683 nan 8.230 nan 0.000 0.492 210 I N 2.727 123.438 120.570 0.234 0.000 2.286 210 I HA -0.043 4.127 4.170 0.000 0.000 0.245 210 I C 3.067 179.416 176.117 0.387 0.000 1.104 210 I CA 1.636 63.098 61.300 0.270 0.000 1.397 210 I CB -1.929 36.280 38.000 0.349 0.000 1.072 210 I HN 0.401 nan 8.210 nan 0.000 0.417 211 A N 1.466 124.643 122.820 0.595 0.000 1.902 211 A HA -0.212 4.108 4.320 0.000 0.000 0.217 211 A C 2.035 179.992 177.584 0.622 0.000 1.181 211 A CA 1.832 54.227 52.037 0.597 0.000 0.623 211 A CB -0.767 18.619 19.000 0.644 0.000 0.818 211 A HN 0.435 nan 8.150 nan 0.000 0.443 212 N N -0.289 118.711 118.700 0.501 0.000 2.289 212 N HA -0.103 4.637 4.740 0.000 0.000 0.184 212 N C 1.578 177.215 175.510 0.211 0.000 1.016 212 N CA 1.414 54.661 53.050 0.328 0.000 0.872 212 N CB -0.506 38.224 38.487 0.405 0.000 0.973 212 N HN 0.573 nan 8.380 nan 0.000 0.433 213 M N -0.769 119.022 119.600 0.319 0.000 2.213 213 M HA -0.122 4.358 4.480 0.000 0.000 0.263 213 M C 1.730 178.109 176.300 0.131 0.000 1.062 213 M CA 1.235 56.696 55.300 0.268 0.000 1.105 213 M CB -0.186 32.524 32.600 0.182 0.000 1.385 213 M HN 0.100 nan 8.290 nan 0.000 0.417 214 F N 0.664 120.647 119.950 0.053 0.000 2.147 214 F HA -0.133 4.394 4.527 0.000 0.000 0.291 214 F C 2.509 178.240 175.800 -0.116 0.000 1.093 214 F CA 1.455 59.455 58.000 -0.001 0.000 1.263 214 F CB -0.436 38.606 39.000 0.070 0.000 1.036 214 F HN -0.014 nan 8.300 nan 0.000 0.481 215 Q N 0.854 120.520 119.800 -0.224 0.000 2.050 215 Q HA -0.115 4.226 4.340 0.000 0.000 0.202 215 Q C 2.004 177.628 176.000 -0.626 0.000 0.980 215 Q CA 2.667 58.150 55.803 -0.533 0.000 0.840 215 Q CB -0.834 27.470 28.738 -0.724 0.000 0.898 215 Q HN 0.371 nan 8.270 nan 0.000 0.424 216 V N 1.019 120.558 119.914 -0.624 0.000 2.283 216 V HA -0.127 3.993 4.120 0.000 0.000 0.243 216 V C -0.813 174.821 176.094 -0.766 0.000 1.039 216 V CA 1.940 63.798 62.300 -0.736 0.000 1.016 216 V CB -1.612 29.581 31.823 -1.049 0.000 0.650 216 V HN 0.289 nan 8.190 nan 0.000 0.449 217 P HA -0.194 nan 4.420 nan 0.000 0.216 217 P C 1.897 178.893 177.300 -0.506 0.000 1.150 217 P CA 1.494 64.255 63.100 -0.565 0.000 0.837 217 P CB -0.144 31.405 31.700 -0.252 0.000 0.786 218 M N -0.028 119.179 119.600 -0.655 0.000 2.108 218 M HA -0.136 4.344 4.480 0.000 0.000 0.261 218 M C 1.914 177.936 176.300 -0.464 0.000 1.066 218 M CA 2.064 56.980 55.300 -0.641 0.000 1.107 218 M CB -1.310 30.661 32.600 -1.047 0.000 1.356 218 M HN -0.130 nan 8.290 nan 0.000 0.406 219 A N -0.293 122.251 122.820 -0.460 0.000 1.930 219 A HA -0.058 4.262 4.320 0.000 0.000 0.217 219 A C 2.172 179.541 177.584 -0.358 0.000 1.175 219 A CA 1.694 53.511 52.037 -0.367 0.000 0.627 219 A CB -1.022 17.794 19.000 -0.306 0.000 0.815 219 A HN 0.602 nan 8.150 nan 0.000 0.443 220 I N -0.213 120.127 120.570 -0.382 0.000 2.226 220 I HA -0.197 3.973 4.170 0.000 0.000 0.245 220 I C 2.715 178.739 176.117 -0.155 0.000 1.100 220 I CA 1.120 62.231 61.300 -0.315 0.000 1.374 220 I CB -0.643 37.051 38.000 -0.509 0.000 1.057 220 I HN 0.383 nan 8.210 nan 0.000 0.413 221 G N 1.268 109.976 108.800 -0.154 0.000 2.440 221 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 221 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 221 G C 1.693 176.546 174.900 -0.078 0.000 1.154 221 G CA 0.820 45.934 45.100 0.023 0.000 0.767 221 G HN 0.320 nan 8.290 nan 0.000 0.552 222 I N 0.679 121.022 120.570 -0.379 0.000 2.179 222 I HA -0.164 4.006 4.170 0.000 0.000 0.242 222 I C 2.685 178.410 176.117 -0.655 0.000 1.088 222 I CA 1.630 62.485 61.300 -0.742 0.000 1.357 222 I CB -0.184 37.349 38.000 -0.779 0.000 1.051 222 I HN 0.170 nan 8.210 nan 0.000 0.409 223 K N 0.640 120.753 120.400 -0.478 0.000 2.074 223 K HA -0.242 4.078 4.320 0.000 0.000 0.209 223 K C 2.067 178.470 176.600 -0.328 0.000 1.048 223 K CA 1.980 58.035 56.287 -0.387 0.000 0.926 223 K CB -0.198 32.003 32.500 -0.498 0.000 0.713 223 K HN 0.263 nan 8.250 nan 0.000 0.444 224 Y N -1.191 119.006 120.300 -0.171 0.000 2.448 224 Y HA 0.062 4.612 4.550 0.000 0.000 0.289 224 Y C 1.526 177.213 175.900 -0.356 0.000 1.114 224 Y CA 0.443 58.392 58.100 -0.251 0.000 1.235 224 Y CB 0.157 38.401 38.460 -0.361 0.000 1.045 224 Y HN 0.002 nan 8.280 nan 0.000 0.554 225 F N -0.487 119.407 119.950 -0.092 0.000 2.714 225 F HA 0.372 4.899 4.527 0.000 0.000 0.294 225 F C 1.509 177.193 175.800 -0.192 0.000 1.120 225 F CA -0.383 57.547 58.000 -0.116 0.000 1.398 225 F CB -0.449 38.466 39.000 -0.143 0.000 1.120 225 F HN -0.204 nan 8.300 nan 0.000 0.589 226 A N 2.659 125.289 122.820 -0.317 0.000 2.540 226 A HA 0.241 4.561 4.320 0.000 0.000 0.239 226 A C -1.970 175.607 177.584 -0.012 0.000 1.061 226 A CA -0.913 50.859 52.037 -0.443 0.000 0.758 226 A CB -0.773 17.498 19.000 -1.214 0.000 0.991 226 A HN -0.002 nan 8.150 nan 0.000 0.502 227 P HA 0.172 nan 4.420 nan 0.000 0.277 227 P C 0.463 177.910 177.300 0.246 0.000 1.271 227 P CA -0.246 62.964 63.100 0.183 0.000 0.795 227 P CB 0.707 32.508 31.700 0.168 0.000 1.101 228 E N 0.892 121.255 120.200 0.272 0.000 2.153 228 E HA -0.174 4.176 4.350 0.000 0.000 0.194 228 E C 1.754 178.518 176.600 0.272 0.000 0.988 228 E CA 2.111 58.714 56.400 0.339 0.000 0.811 228 E CB -0.957 28.878 29.700 0.225 0.000 0.746 228 E HN 0.418 nan 8.360 nan 0.000 0.466 229 S N -0.558 115.254 115.700 0.186 0.000 2.399 229 S HA -0.168 4.302 4.470 0.000 0.000 0.231 229 S C 2.026 176.695 174.600 0.115 0.000 1.022 229 S CA 0.878 59.156 58.200 0.130 0.000 0.983 229 S CB -0.853 62.405 63.200 0.097 0.000 0.803 229 S HN 0.411 nan 8.310 nan 0.000 0.480 230 F N 1.528 121.445 119.950 -0.056 0.000 2.075 230 F HA -0.017 4.510 4.527 0.000 0.000 0.297 230 F C 1.940 177.620 175.800 -0.201 0.000 1.113 230 F CA 1.424 59.310 58.000 -0.190 0.000 1.218 230 F CB -0.639 38.151 39.000 -0.349 0.000 0.984 230 F HN 0.194 nan 8.300 nan 0.000 0.472 231 W N 0.368 121.764 121.300 0.160 0.000 2.363 231 W HA -0.115 4.545 4.660 0.000 0.000 0.296 231 W C 2.595 179.082 176.519 -0.054 0.000 1.212 231 W CA 1.254 58.614 57.345 0.024 0.000 1.260 231 W CB -0.974 28.555 29.460 0.114 0.000 1.131 231 W HN 0.132 nan 8.180 nan 0.000 0.530 232 A N 0.320 123.243 122.820 0.172 0.000 1.841 232 A HA -0.203 4.117 4.320 0.000 0.000 0.214 232 A C 1.924 179.508 177.584 0.001 0.000 1.195 232 A CA 1.842 53.931 52.037 0.086 0.000 0.611 232 A CB -1.000 18.050 19.000 0.083 0.000 0.835 232 A HN 0.223 nan 8.150 nan 0.000 0.443 233 M N 0.146 119.716 119.600 -0.049 0.000 2.108 233 M HA -0.182 4.298 4.480 0.000 0.000 0.257 233 M C 2.254 178.469 176.300 -0.141 0.000 1.071 233 M CA 2.280 57.524 55.300 -0.093 0.000 1.093 233 M CB -0.798 31.733 32.600 -0.115 0.000 1.345 233 M HN 0.714 nan 8.290 nan 0.000 0.403 234 T N -3.451 110.959 114.554 -0.240 0.000 3.043 234 T HA 0.253 4.603 4.350 0.000 0.000 0.263 234 T C 1.530 176.177 174.700 -0.088 0.000 1.094 234 T CA 0.676 62.632 62.100 -0.240 0.000 1.127 234 T CB -0.147 68.438 68.868 -0.471 0.000 0.905 234 T HN 0.637 nan 8.240 nan 0.000 0.490 235 G N 1.265 110.050 108.800 -0.025 0.000 2.153 235 G HA2 -0.010 3.950 3.960 0.000 0.000 0.252 235 G HA3 -0.010 3.950 3.960 0.000 0.000 0.252 235 G C 0.229 175.181 174.900 0.086 0.000 0.994 235 G CA 0.095 45.213 45.100 0.029 0.000 0.698 235 G HN 1.168 nan 8.290 nan 0.000 0.521 236 A N -0.437 122.484 122.820 0.169 0.000 2.261 236 A HA 0.915 5.235 4.320 0.000 0.000 0.323 236 A C 0.064 177.891 177.584 0.404 0.000 1.107 236 A CA 0.223 52.446 52.037 0.310 0.000 0.883 236 A CB 1.048 20.310 19.000 0.436 0.000 1.251 236 A HN 1.746 nan 8.150 nan 0.000 0.502 237 N N -1.610 117.231 118.700 0.235 0.000 2.494 237 N HA 0.295 5.035 4.740 0.000 0.000 0.270 237 N C 0.006 175.190 175.510 -0.544 0.000 1.285 237 N CA -0.689 52.190 53.050 -0.285 0.000 0.812 237 N CB 1.014 39.371 38.487 -0.216 0.000 1.557 237 N HN 0.449 nan 8.380 nan 0.000 0.487 238 I N 0.199 120.073 120.570 -1.160 0.000 2.567 238 I HA -0.135 4.035 4.170 0.000 0.000 0.257 238 I C 1.770 177.755 176.117 -0.221 0.000 1.184 238 I CA 1.292 62.136 61.300 -0.761 0.000 1.451 238 I CB -0.188 37.364 38.000 -0.747 0.000 1.089 238 I HN 0.816 nan 8.210 nan 0.000 0.441 239 A N -0.293 122.399 122.820 -0.213 0.000 2.121 239 A HA -0.186 4.134 4.320 0.000 0.000 0.218 239 A C 2.033 179.551 177.584 -0.111 0.000 1.154 239 A CA 0.969 52.932 52.037 -0.122 0.000 0.679 239 A CB -0.401 18.531 19.000 -0.114 0.000 0.795 239 A HN 0.594 nan 8.150 nan 0.000 0.458 240 Q N -1.908 117.811 119.800 -0.134 0.000 2.472 240 Q HA -0.023 4.317 4.340 0.000 0.000 0.208 240 Q C -0.261 175.367 176.000 -0.619 0.000 0.958 240 Q CA 0.684 56.282 55.803 -0.341 0.000 0.932 240 Q CB -0.016 28.481 28.738 -0.402 0.000 1.007 240 Q HN 0.888 nan 8.270 nan 0.000 0.508 241 Y N -1.981 118.296 120.300 -0.039 0.000 2.715 241 Y HA 0.388 4.938 4.550 0.000 0.000 0.255 241 Y C 1.263 177.126 175.900 -0.061 0.000 1.139 241 Y CA -0.345 57.739 58.100 -0.026 0.000 1.151 241 Y CB 0.266 38.724 38.460 -0.003 0.000 1.201 241 Y HN 0.042 nan 8.280 nan 0.000 0.556 242 A N 0.459 123.290 122.820 0.019 0.000 1.978 242 A HA -0.236 4.084 4.320 0.000 0.000 0.220 242 A C 1.965 179.575 177.584 0.043 0.000 1.170 242 A CA 2.203 54.252 52.037 0.020 0.000 0.636 242 A CB -0.397 18.605 19.000 0.003 0.000 0.810 242 A HN 0.559 nan 8.150 nan 0.000 0.448 243 D N -0.791 119.644 120.400 0.057 0.000 2.310 243 D HA -0.053 4.588 4.640 0.000 0.000 0.212 243 D C 0.481 176.794 176.300 0.021 0.000 0.965 243 D CA 0.274 54.315 54.000 0.068 0.000 0.879 243 D CB -0.445 40.463 40.800 0.179 0.000 0.921 243 D HN 0.259 nan 8.370 nan 0.000 0.510 244 L N 2.101 123.339 121.223 0.024 0.000 2.385 244 L HA 0.273 4.613 4.340 0.000 0.000 0.285 244 L C -0.596 176.240 176.870 -0.058 0.000 1.125 244 L CA -0.065 54.751 54.840 -0.040 0.000 0.890 244 L CB -0.712 41.328 42.059 -0.033 0.000 1.251 244 L HN 0.157 nan 8.230 nan 0.000 0.445 245 N N 1.033 119.695 118.700 -0.063 0.000 3.046 245 N HA 0.249 4.989 4.740 0.000 0.000 0.243 245 N C 0.151 175.644 175.510 -0.028 0.000 1.452 245 N CA -0.774 52.259 53.050 -0.028 0.000 0.882 245 N CB 0.096 38.651 38.487 0.113 0.000 1.425 245 N HN -0.049 nan 8.380 nan 0.000 0.517 246 F N -0.124 119.912 119.950 0.143 0.000 2.216 246 F HA -0.018 4.509 4.527 0.000 0.000 0.300 246 F C 2.131 178.034 175.800 0.172 0.000 1.085 246 F CA 0.785 58.902 58.000 0.196 0.000 1.326 246 F CB -0.161 38.928 39.000 0.150 0.000 1.027 246 F HN 0.346 nan 8.300 nan 0.000 0.497 247 V N 0.369 120.445 119.914 0.270 0.000 2.237 247 V HA -0.320 3.801 4.120 0.000 0.000 0.245 247 V C 2.175 178.344 176.094 0.124 0.000 1.046 247 V CA 2.133 64.531 62.300 0.164 0.000 1.007 247 V CB -0.639 31.254 31.823 0.117 0.000 0.638 247 V HN 0.290 nan 8.190 nan 0.000 0.445 248 N N -0.241 118.519 118.700 0.100 0.000 2.205 248 N HA -0.187 4.553 4.740 0.000 0.000 0.186 248 N C 1.612 177.183 175.510 0.101 0.000 1.015 248 N CA 1.497 54.580 53.050 0.054 0.000 0.862 248 N CB -0.571 37.910 38.487 -0.011 0.000 0.986 248 N HN 0.512 nan 8.380 nan 0.000 0.429 249 F N 2.072 122.005 119.950 -0.027 0.000 2.046 249 F HA -0.132 4.395 4.527 0.000 0.000 0.297 249 F C 1.989 177.810 175.800 0.035 0.000 1.123 249 F CA 1.025 59.013 58.000 -0.020 0.000 1.199 249 F CB -0.555 38.431 39.000 -0.024 0.000 0.972 249 F HN -0.148 nan 8.300 nan 0.000 0.474 250 I N 0.083 120.537 120.570 -0.193 0.000 2.127 250 I HA -0.246 3.924 4.170 0.000 0.000 0.241 250 I C 2.591 178.629 176.117 -0.131 0.000 1.075 250 I CA 1.332 62.458 61.300 -0.289 0.000 1.334 250 I CB -1.719 36.229 38.000 -0.086 0.000 1.040 250 I HN 0.066 nan 8.210 nan 0.000 0.405 251 V N 1.275 121.179 119.914 -0.018 0.000 2.346 251 V HA -0.169 3.951 4.120 0.000 0.000 0.244 251 V C 2.045 178.178 176.094 0.066 0.000 1.037 251 V CA 1.604 63.931 62.300 0.044 0.000 1.029 251 V CB -0.678 31.180 31.823 0.059 0.000 0.663 251 V HN 0.376 nan 8.190 nan 0.000 0.454 252 N N -0.171 118.550 118.700 0.035 0.000 2.416 252 N HA -0.040 4.700 4.740 0.000 0.000 0.177 252 N C 1.518 177.035 175.510 0.012 0.000 1.036 252 N CA 1.202 54.269 53.050 0.029 0.000 0.901 252 N CB -0.054 38.412 38.487 -0.035 0.000 0.976 252 N HN 0.667 nan 8.380 nan 0.000 0.444 253 N N -0.736 117.964 118.700 -0.001 0.000 3.166 253 N HA 0.216 4.956 4.740 0.000 0.000 0.242 253 N C 1.294 176.768 175.510 -0.060 0.000 1.017 253 N CA -0.307 52.758 53.050 0.026 0.000 1.113 253 N CB -0.233 38.354 38.487 0.167 0.000 1.629 253 N HN -0.169 nan 8.380 nan 0.000 0.601 254 L N 1.396 122.487 121.223 -0.220 0.000 2.013 254 L HA -0.182 4.158 4.340 0.000 0.000 0.212 254 L C 1.800 178.594 176.870 -0.126 0.000 1.073 254 L CA 1.237 55.923 54.840 -0.256 0.000 0.753 254 L CB -0.498 41.216 42.059 -0.575 0.000 0.890 254 L HN 0.411 nan 8.230 nan 0.000 0.432 255 I N 0.310 120.820 120.570 -0.100 0.000 2.076 255 I HA -0.202 3.968 4.170 0.000 0.000 0.237 255 I C 0.004 176.079 176.117 -0.069 0.000 1.059 255 I CA 1.702 62.992 61.300 -0.017 0.000 1.317 255 I CB -3.024 35.041 38.000 0.109 0.000 1.037 255 I HN 0.186 nan 8.210 nan 0.000 0.398 256 P HA -0.086 nan 4.420 nan 0.000 0.215 256 P C 2.282 179.473 177.300 -0.182 0.000 1.153 256 P CA 1.191 63.956 63.100 -0.558 0.000 0.853 256 P CB -0.067 31.121 31.700 -0.853 0.000 0.788 257 V N -0.447 119.391 119.914 -0.128 0.000 2.358 257 V HA -0.216 3.904 4.120 0.000 0.000 0.246 257 V C 2.373 178.424 176.094 -0.072 0.000 1.047 257 V CA 2.512 64.760 62.300 -0.087 0.000 1.035 257 V CB -1.871 29.944 31.823 -0.014 0.000 0.658 257 V HN 0.181 nan 8.190 nan 0.000 0.452 258 T N 0.637 115.167 114.554 -0.040 0.000 2.684 258 T HA -0.157 4.193 4.350 0.000 0.000 0.267 258 T C 1.914 176.628 174.700 0.023 0.000 1.036 258 T CA 1.619 63.711 62.100 -0.015 0.000 1.148 258 T CB -0.336 68.497 68.868 -0.058 0.000 0.863 258 T HN 0.277 nan 8.240 nan 0.000 0.436 259 L N 0.688 121.947 121.223 0.060 0.000 2.012 259 L HA -0.101 4.239 4.340 0.000 0.000 0.210 259 L C 3.063 180.010 176.870 0.129 0.000 1.073 259 L CA 1.626 56.578 54.840 0.185 0.000 0.748 259 L CB -1.257 40.999 42.059 0.329 0.000 0.891 259 L HN 0.386 nan 8.230 nan 0.000 0.431 260 G N -0.098 108.628 108.800 -0.123 0.000 2.476 260 G HA2 -0.305 3.656 3.960 0.000 0.000 0.218 260 G HA3 -0.305 3.656 3.960 0.000 0.000 0.218 260 G C 1.366 176.042 174.900 -0.372 0.000 1.164 260 G CA 0.995 45.677 45.100 -0.697 0.000 0.768 260 G HN 0.330 nan 8.290 nan 0.000 0.560 261 N N 0.696 119.276 118.700 -0.200 0.000 2.069 261 N HA -0.064 4.676 4.740 0.000 0.000 0.191 261 N C 2.233 177.700 175.510 -0.072 0.000 1.031 261 N CA 0.935 53.899 53.050 -0.143 0.000 0.852 261 N CB -0.354 38.086 38.487 -0.078 0.000 1.018 261 N HN 0.382 nan 8.380 nan 0.000 0.423 262 I N 0.210 120.790 120.570 0.017 0.000 2.179 262 I HA -0.212 3.958 4.170 0.000 0.000 0.242 262 I C 2.040 178.227 176.117 0.117 0.000 1.088 262 I CA 0.766 62.124 61.300 0.097 0.000 1.357 262 I CB -0.215 37.895 38.000 0.183 0.000 1.051 262 I HN -0.071 nan 8.210 nan 0.000 0.409 263 V N 0.991 120.957 119.914 0.086 0.000 2.343 263 V HA -0.220 3.900 4.120 0.000 0.000 0.247 263 V C 2.586 178.693 176.094 0.021 0.000 1.051 263 V CA 2.154 64.511 62.300 0.095 0.000 1.036 263 V CB -1.358 30.557 31.823 0.154 0.000 0.654 263 V HN 0.586 nan 8.190 nan 0.000 0.451 264 G N 0.051 108.805 108.800 -0.078 0.000 2.446 264 G HA2 -0.203 3.757 3.960 0.000 0.000 0.217 264 G HA3 -0.203 3.757 3.960 0.000 0.000 0.217 264 G C 1.600 176.496 174.900 -0.007 0.000 1.168 264 G CA 1.049 46.097 45.100 -0.086 0.000 0.771 264 G HN 0.591 nan 8.290 nan 0.000 0.551 265 G N 0.563 109.359 108.800 -0.007 0.000 2.403 265 G HA2 0.138 4.098 3.960 0.000 0.000 0.216 265 G HA3 0.138 4.098 3.960 0.000 0.000 0.216 265 G C 1.782 176.750 174.900 0.114 0.000 1.154 265 G CA 1.252 46.369 45.100 0.028 0.000 0.784 265 G HN 0.591 nan 8.290 nan 0.000 0.538 266 G N 0.533 109.402 108.800 0.114 0.000 2.440 266 G HA2 -0.185 3.775 3.960 0.000 0.000 0.218 266 G HA3 -0.185 3.775 3.960 0.000 0.000 0.218 266 G C 1.759 176.725 174.900 0.110 0.000 1.154 266 G CA 1.170 46.340 45.100 0.117 0.000 0.767 266 G HN 0.304 nan 8.290 nan 0.000 0.552 267 V N 0.015 119.997 119.914 0.114 0.000 2.343 267 V HA -0.095 4.025 4.120 0.000 0.000 0.247 267 V C 2.310 178.481 176.094 0.128 0.000 1.051 267 V CA 1.859 64.225 62.300 0.110 0.000 1.036 267 V CB -0.458 31.421 31.823 0.093 0.000 0.654 267 V HN 0.406 nan 8.190 nan 0.000 0.451 268 F N 0.126 120.078 119.950 0.002 0.000 2.146 268 F HA -0.129 4.398 4.527 0.000 0.000 0.298 268 F C 2.155 177.963 175.800 0.014 0.000 1.096 268 F CA 1.675 59.666 58.000 -0.015 0.000 1.275 268 F CB -0.185 38.780 39.000 -0.058 0.000 1.008 268 F HN -0.046 nan 8.300 nan 0.000 0.480 269 V N 0.190 120.272 119.914 0.280 0.000 2.358 269 V HA -0.174 3.946 4.120 0.000 0.000 0.246 269 V C 2.743 178.919 176.094 0.137 0.000 1.047 269 V CA 1.821 64.250 62.300 0.213 0.000 1.035 269 V CB -1.508 30.402 31.823 0.145 0.000 0.658 269 V HN 0.520 nan 8.190 nan 0.000 0.452 270 G N -0.292 108.535 108.800 0.045 0.000 2.459 270 G HA2 -0.386 3.574 3.960 0.000 0.000 0.217 270 G HA3 -0.386 3.574 3.960 0.000 0.000 0.217 270 G C 1.586 176.456 174.900 -0.051 0.000 1.183 270 G CA 1.493 46.552 45.100 -0.069 0.000 0.776 270 G HN 0.433 nan 8.290 nan 0.000 0.552 271 M N -0.596 119.018 119.600 0.024 0.000 2.108 271 M HA -0.018 4.462 4.480 0.000 0.000 0.261 271 M C 2.113 178.410 176.300 -0.005 0.000 1.066 271 M CA 1.444 56.765 55.300 0.035 0.000 1.107 271 M CB -0.611 31.933 32.600 -0.094 0.000 1.356 271 M HN 0.428 nan 8.290 nan 0.000 0.406 272 W N -0.478 120.650 121.300 -0.287 0.000 2.358 272 W HA -0.240 4.420 4.660 0.000 0.000 0.303 272 W C 2.259 178.715 176.519 -0.104 0.000 1.208 272 W CA 2.182 59.354 57.345 -0.289 0.000 1.274 272 W CB -0.949 28.311 29.460 -0.334 0.000 1.138 272 W HN 0.470 nan 8.180 nan 0.000 0.515 273 Y N -0.842 119.395 120.300 -0.106 0.000 2.128 273 Y HA -0.276 4.274 4.550 0.000 0.000 0.284 273 Y C 2.028 177.787 175.900 -0.234 0.000 1.154 273 Y CA 2.440 60.372 58.100 -0.281 0.000 1.149 273 Y CB -1.181 37.044 38.460 -0.391 0.000 0.976 273 Y HN 0.016 nan 8.280 nan 0.000 0.505 274 W N 0.166 121.413 121.300 -0.089 0.000 2.363 274 W HA -0.185 4.475 4.660 0.000 0.000 0.296 274 W C 2.199 178.621 176.519 -0.161 0.000 1.212 274 W CA 0.735 57.994 57.345 -0.143 0.000 1.260 274 W CB -0.264 29.182 29.460 -0.023 0.000 1.131 274 W HN 0.100 nan 8.180 nan 0.000 0.530 275 L N 0.109 121.332 121.223 0.001 0.000 2.056 275 L HA -0.201 4.140 4.340 0.000 0.000 0.207 275 L C 2.248 179.002 176.870 -0.194 0.000 1.078 275 L CA 1.155 55.934 54.840 -0.103 0.000 0.749 275 L CB -0.938 41.015 42.059 -0.177 0.000 0.901 275 L HN 0.079 nan 8.230 nan 0.000 0.433 276 I N -3.621 116.728 120.570 -0.368 0.000 2.830 276 I HA -0.227 3.943 4.170 0.000 0.000 0.263 276 I C 2.362 178.340 176.117 -0.232 0.000 1.230 276 I CA 1.261 62.343 61.300 -0.365 0.000 1.480 276 I CB -0.930 36.732 38.000 -0.564 0.000 1.095 276 I HN 0.078 nan 8.210 nan 0.000 0.455 277 Y N 1.639 121.747 120.300 -0.320 0.000 2.201 277 Y HA 0.133 4.683 4.550 0.000 0.000 0.292 277 Y C 2.038 177.872 175.900 -0.110 0.000 1.119 277 Y CA 1.448 59.415 58.100 -0.221 0.000 1.127 277 Y CB -0.202 38.141 38.460 -0.195 0.000 1.019 277 Y HN 0.069 nan 8.280 nan 0.000 0.514 278 L N 1.625 122.842 121.223 -0.010 0.000 2.549 278 L HA -0.135 4.205 4.340 0.000 0.000 0.230 278 L C 1.588 178.369 176.870 -0.148 0.000 1.162 278 L CA 0.636 55.419 54.840 -0.096 0.000 0.834 278 L CB -0.809 41.263 42.059 0.021 0.000 0.947 278 L HN 0.189 nan 8.230 nan 0.000 0.452 279 K N 0.000 120.305 120.400 -0.158 0.000 2.780 279 K HA 0.000 4.320 4.320 0.000 0.000 0.191 279 K CA 0.000 56.208 56.287 -0.132 0.000 0.838 279 K CB 0.000 32.418 32.500 -0.136 0.000 1.064 279 K HN 0.000 nan 8.250 nan 0.000 0.543