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 1oph_1_A DATA FIRST_RESID 20 DATA SEQUENCE HPTFNKITPN LAEFAFSLYR QLAHQSNSTN ILFSPVSIAA AFAMLSLGAK DATA SEQUENCE GDTHDEILEG LNFNLTEIPE AQIHEGFQEL LRTLNQPDSQ LQLTTGNGLF DATA SEQUENCE LSEGLKLVDK FLEDVKKLYH SEAFTVNFGD TEEAKKQIND YVEKGTQGKI DATA SEQUENCE VDLVKELDRD TVFALVNYIF FKGKWERPFE VKDTEEEDFH VDQVTTVKVP DATA SEQUENCE MMKRLGMFNI QHSKKLSSWV LLMKYLGNAT AIFFLPDEGK LQHLENELTH DATA SEQUENCE DIITKFLENE DRRSASLHLP KLSITGTYDL KSVLGQLGIT KVFSNGADLS DATA SEQUENCE GVTEEAPLKL SKAVHKAVLT IDEKGTEAAG AMFLEAIPRS IPPEVKFNKP DATA SEQUENCE FVFLIIEQNT KAPLFMGRVV NPTQK 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 20 H HA 0.000 nan 4.556 nan 0.000 0.296 20 H C 0.000 175.344 175.328 0.027 0.000 0.993 20 H CA 0.000 56.060 56.048 0.020 0.000 1.023 20 H CB 0.000 29.772 29.762 0.016 0.000 1.292 21 P HA 0.003 nan 4.420 nan 0.000 0.268 21 P C 0.825 178.198 177.300 0.122 0.000 1.205 21 P CA -0.102 63.066 63.100 0.113 0.000 0.771 21 P CB 1.387 33.145 31.700 0.096 0.000 0.858 22 T N 1.881 116.489 114.554 0.091 0.000 2.685 22 T HA -0.229 4.121 4.350 0.001 0.000 0.268 22 T C 1.384 176.116 174.700 0.053 0.000 1.034 22 T CA 1.523 63.649 62.100 0.044 0.000 1.149 22 T CB -0.870 68.009 68.868 0.018 0.000 0.860 22 T HN 0.464 nan 8.240 nan 0.000 0.449 23 F N 3.118 123.057 119.950 -0.018 0.000 2.043 23 F HA -0.286 4.241 4.527 -0.000 0.000 0.297 23 F C 2.006 177.787 175.800 -0.031 0.000 1.118 23 F CA 1.697 59.685 58.000 -0.020 0.000 1.202 23 F CB -0.385 38.618 39.000 0.004 0.000 0.965 23 F HN 0.088 nan 8.300 nan 0.000 0.482 24 N N 0.545 119.492 118.700 0.411 0.000 2.348 24 N HA -0.153 4.588 4.740 0.001 0.000 0.185 24 N C 1.408 176.962 175.510 0.073 0.000 1.019 24 N CA 1.354 54.563 53.050 0.265 0.000 0.880 24 N CB -0.330 38.254 38.487 0.161 0.000 0.965 24 N HN 0.480 nan 8.380 nan 0.000 0.437 25 K N -0.088 120.323 120.400 0.019 0.000 2.211 25 K HA 0.196 4.517 4.320 0.001 0.000 0.201 25 K C 1.671 178.249 176.600 -0.037 0.000 1.052 25 K CA 0.778 57.056 56.287 -0.015 0.000 0.973 25 K CB 0.488 32.966 32.500 -0.036 0.000 0.766 25 K HN 0.319 nan 8.250 nan 0.000 0.466 26 I N -4.913 115.565 120.570 -0.153 0.000 4.916 26 I HA 0.140 4.310 4.170 0.001 0.000 0.335 26 I C 1.387 177.290 176.117 -0.356 0.000 1.274 26 I CA -0.123 61.080 61.300 -0.162 0.000 1.365 26 I CB 0.279 38.064 38.000 -0.359 0.000 1.395 26 I HN -0.248 nan 8.210 nan 0.000 0.485 27 T N 3.248 117.494 114.554 -0.513 0.000 2.607 27 T HA -0.062 4.289 4.350 0.001 0.000 0.267 27 T C -0.523 173.786 174.700 -0.651 0.000 1.049 27 T CA 2.697 64.405 62.100 -0.653 0.000 1.162 27 T CB -1.362 66.841 68.868 -1.109 0.000 0.863 27 T HN 0.303 nan 8.240 nan 0.000 0.424 28 P HA -0.072 nan 4.420 nan 0.000 0.217 28 P C 0.845 177.851 177.300 -0.490 0.000 1.148 28 P CA 1.170 63.878 63.100 -0.654 0.000 0.828 28 P CB -0.209 31.232 31.700 -0.431 0.000 0.783 29 N N -0.977 117.422 118.700 -0.502 0.000 2.171 29 N HA -0.055 4.686 4.740 0.001 0.000 0.184 29 N C 1.644 176.854 175.510 -0.500 0.000 1.021 29 N CA 0.811 53.487 53.050 -0.623 0.000 0.854 29 N CB -0.999 36.748 38.487 -1.232 0.000 0.994 29 N HN 0.091 nan 8.380 nan 0.000 0.426 30 L N 0.383 121.364 121.223 -0.404 0.000 2.083 30 L HA -0.110 4.230 4.340 0.001 0.000 0.209 30 L C 2.359 179.093 176.870 -0.227 0.000 1.083 30 L CA 0.964 55.697 54.840 -0.178 0.000 0.752 30 L CB -0.496 41.493 42.059 -0.117 0.000 0.899 30 L HN 0.243 nan 8.230 nan 0.000 0.433 31 A N -0.341 122.249 122.820 -0.384 0.000 1.877 31 A HA -0.188 4.132 4.320 0.001 0.000 0.216 31 A C 2.191 179.257 177.584 -0.863 0.000 1.186 31 A CA 1.440 53.101 52.037 -0.627 0.000 0.620 31 A CB -0.332 18.409 19.000 -0.433 0.000 0.822 31 A HN 0.314 nan 8.150 nan 0.000 0.443 32 E N -0.905 119.049 120.200 -0.410 0.000 2.106 32 E HA -0.144 4.206 4.350 0.001 0.000 0.192 32 E C 1.713 178.254 176.600 -0.098 0.000 0.984 32 E CA 0.930 57.234 56.400 -0.158 0.000 0.806 32 E CB -0.526 29.133 29.700 -0.068 0.000 0.750 32 E HN 0.654 nan 8.360 nan 0.000 0.458 33 F N 1.765 121.554 119.950 -0.268 0.000 2.075 33 F HA -0.142 4.385 4.527 0.001 0.000 0.297 33 F C 2.248 177.973 175.800 -0.125 0.000 1.113 33 F CA 1.397 59.288 58.000 -0.180 0.000 1.218 33 F CB -0.764 38.132 39.000 -0.174 0.000 0.984 33 F HN -0.013 nan 8.300 nan 0.000 0.472 34 A N 0.492 123.144 122.820 -0.280 0.000 1.903 34 A HA -0.250 4.071 4.320 0.001 0.000 0.219 34 A C 2.154 179.710 177.584 -0.046 0.000 1.191 34 A CA 2.227 54.131 52.037 -0.221 0.000 0.638 34 A CB -1.614 17.192 19.000 -0.324 0.000 0.823 34 A HN 0.426 nan 8.150 nan 0.000 0.451 35 F N 0.705 120.638 119.950 -0.029 0.000 2.134 35 F HA -0.098 4.429 4.527 0.001 0.000 0.299 35 F C 2.834 178.607 175.800 -0.046 0.000 1.097 35 F CA 0.964 58.957 58.000 -0.011 0.000 1.264 35 F CB -1.220 37.762 39.000 -0.030 0.000 1.001 35 F HN 0.147 nan 8.300 nan 0.000 0.479 36 S N 0.471 116.201 115.700 0.050 0.000 2.356 36 S HA -0.159 4.312 4.470 0.001 0.000 0.223 36 S C 2.230 176.703 174.600 -0.213 0.000 1.032 36 S CA 1.026 59.183 58.200 -0.072 0.000 1.005 36 S CB -0.724 62.437 63.200 -0.066 0.000 0.867 36 S HN 0.329 nan 8.310 nan 0.000 0.449 37 L N -0.101 120.881 121.223 -0.401 0.000 2.027 37 L HA -0.135 4.206 4.340 0.001 0.000 0.206 37 L C 2.303 178.886 176.870 -0.480 0.000 1.074 37 L CA 1.562 56.029 54.840 -0.622 0.000 0.745 37 L CB -0.379 40.997 42.059 -1.139 0.000 0.898 37 L HN 0.338 nan 8.230 nan 0.000 0.433 38 Y N 0.810 120.953 120.300 -0.261 0.000 2.053 38 Y HA -0.336 4.215 4.550 0.001 0.000 0.277 38 Y C 2.738 178.582 175.900 -0.094 0.000 1.159 38 Y CA 1.913 60.008 58.100 -0.008 0.000 1.125 38 Y CB -0.244 38.338 38.460 0.204 0.000 0.969 38 Y HN 0.039 nan 8.280 nan 0.000 0.492 39 R N 0.042 120.524 120.500 -0.030 0.000 2.159 39 R HA -0.252 4.088 4.340 0.001 0.000 0.237 39 R C 2.407 178.387 176.300 -0.533 0.000 1.131 39 R CA 1.671 57.603 56.100 -0.281 0.000 0.982 39 R CB -0.441 29.683 30.300 -0.294 0.000 0.868 39 R HN 0.593 nan 8.270 nan 0.000 0.453 40 Q N 1.108 120.676 119.800 -0.386 0.000 2.050 40 Q HA -0.151 4.189 4.340 0.001 0.000 0.202 40 Q C 2.038 177.898 176.000 -0.233 0.000 0.980 40 Q CA 1.307 56.925 55.803 -0.309 0.000 0.840 40 Q CB 0.002 28.579 28.738 -0.268 0.000 0.898 40 Q HN 0.364 nan 8.270 nan 0.000 0.424 41 L N 0.171 121.221 121.223 -0.287 0.000 2.109 41 L HA -0.057 4.283 4.340 0.001 0.000 0.207 41 L C 2.550 179.311 176.870 -0.181 0.000 1.086 41 L CA 0.862 55.573 54.840 -0.215 0.000 0.760 41 L CB -0.518 41.387 42.059 -0.256 0.000 0.910 41 L HN 0.268 nan 8.230 nan 0.000 0.437 42 A N -1.046 121.601 122.820 -0.288 0.000 2.066 42 A HA -0.167 4.153 4.320 0.001 0.000 0.218 42 A C 1.830 179.481 177.584 0.111 0.000 1.157 42 A CA 1.056 53.005 52.037 -0.148 0.000 0.670 42 A CB -0.591 18.264 19.000 -0.242 0.000 0.804 42 A HN 0.377 nan 8.150 nan 0.000 0.453 43 H N -0.336 118.675 119.070 -0.097 0.000 2.535 43 H HA 0.075 4.631 4.556 0.001 0.000 0.273 43 H C 1.967 177.271 175.328 -0.041 0.000 0.983 43 H CA 1.187 57.204 56.048 -0.051 0.000 1.238 43 H CB -0.001 29.734 29.762 -0.045 0.000 1.412 43 H HN 0.651 nan 8.280 nan 0.000 0.562 44 Q N -0.633 119.209 119.800 0.070 0.000 2.212 44 Q HA 0.075 4.415 4.340 0.001 0.000 0.199 44 Q C 0.264 176.276 176.000 0.021 0.000 0.950 44 Q CA 0.783 56.604 55.803 0.030 0.000 0.863 44 Q CB 0.646 29.389 28.738 0.008 0.000 0.944 44 Q HN 0.120 nan 8.270 nan 0.000 0.465 45 S N -0.194 115.518 115.700 0.021 0.000 2.537 45 S HA 0.222 4.693 4.470 0.001 0.000 0.271 45 S C -0.961 173.657 174.600 0.029 0.000 1.148 45 S CA -0.781 57.433 58.200 0.022 0.000 0.868 45 S CB 0.886 64.100 63.200 0.024 0.000 1.115 45 S HN 0.330 nan 8.310 nan 0.000 0.461 46 N N 1.280 120.002 118.700 0.037 0.000 2.236 46 N HA 0.091 4.831 4.740 0.001 0.000 0.196 46 N C 0.643 176.195 175.510 0.070 0.000 1.114 46 N CA 0.503 53.586 53.050 0.055 0.000 0.859 46 N CB 0.451 38.970 38.487 0.053 0.000 0.982 46 N HN 0.434 nan 8.380 nan 0.000 0.493 47 S N -1.825 113.911 115.700 0.060 0.000 2.749 47 S HA 0.173 4.643 4.470 0.001 0.000 0.246 47 S C 0.187 174.825 174.600 0.063 0.000 1.023 47 S CA -0.424 57.817 58.200 0.068 0.000 1.012 47 S CB -0.841 62.394 63.200 0.058 0.000 0.942 47 S HN 0.290 nan 8.310 nan 0.000 0.531 48 T N 0.550 115.141 114.554 0.061 0.000 2.902 48 T HA 0.533 4.883 4.350 0.001 0.000 0.283 48 T C -0.401 174.350 174.700 0.084 0.000 1.009 48 T CA -0.861 61.276 62.100 0.061 0.000 1.051 48 T CB 0.851 69.752 68.868 0.055 0.000 0.999 48 T HN 0.095 nan 8.240 nan 0.000 0.474 49 N N 1.381 120.132 118.700 0.085 0.000 2.525 49 N HA 0.467 5.207 4.740 0.001 0.000 0.271 49 N C -0.611 175.006 175.510 0.179 0.000 1.194 49 N CA -0.268 52.852 53.050 0.116 0.000 0.964 49 N CB 0.854 39.391 38.487 0.084 0.000 1.126 49 N HN 0.624 nan 8.380 nan 0.000 0.452 50 I N 1.456 122.175 120.570 0.248 0.000 2.647 50 I HA 0.430 4.601 4.170 0.001 0.000 0.295 50 I C -1.017 175.339 176.117 0.399 0.000 1.078 50 I CA -0.843 60.671 61.300 0.357 0.000 1.048 50 I CB 2.295 40.477 38.000 0.302 0.000 1.239 50 I HN 0.189 nan 8.210 nan 0.000 0.421 51 L N 7.818 129.361 121.223 0.534 0.000 2.710 51 L HA 0.583 4.924 4.340 0.001 0.000 0.262 51 L C -1.759 175.507 176.870 0.660 0.000 0.940 51 L CA -0.097 55.022 54.840 0.466 0.000 0.944 51 L CB 1.400 43.717 42.059 0.429 0.000 1.348 51 L HN 0.541 nan 8.230 nan 0.000 0.425 52 F N 1.669 121.849 119.950 0.383 0.000 2.686 52 F HA 0.808 5.335 4.527 0.000 0.000 0.311 52 F C -1.041 174.889 175.800 0.216 0.000 1.128 52 F CA -0.995 57.235 58.000 0.384 0.000 0.946 52 F CB 1.585 40.596 39.000 0.017 0.000 1.336 52 F HN 0.320 nan 8.300 nan 0.000 0.457 53 S N 2.081 117.918 115.700 0.227 0.000 2.498 53 S HA 0.504 4.975 4.470 0.001 0.000 0.324 53 S C -2.149 172.444 174.600 -0.011 0.000 1.071 53 S CA -1.586 56.513 58.200 -0.167 0.000 1.113 53 S CB 1.081 64.115 63.200 -0.275 0.000 0.976 53 S HN 0.511 nan 8.310 nan 0.000 0.462 54 P HA -0.111 nan 4.420 nan 0.000 0.215 54 P C 1.586 179.025 177.300 0.232 0.000 1.157 54 P CA 0.735 63.966 63.100 0.217 0.000 0.868 54 P CB 0.091 31.847 31.700 0.095 0.000 0.788 55 V N -0.152 119.815 119.914 0.088 0.000 2.231 55 V HA -0.292 3.829 4.120 0.001 0.000 0.248 55 V C 2.620 178.760 176.094 0.077 0.000 1.054 55 V CA 2.622 64.997 62.300 0.125 0.000 1.015 55 V CB -1.569 30.276 31.823 0.036 0.000 0.638 55 V HN 0.228 nan 8.190 nan 0.000 0.444 56 S N -0.654 115.044 115.700 -0.004 0.000 2.365 56 S HA -0.192 4.279 4.470 0.001 0.000 0.225 56 S C 1.876 176.474 174.600 -0.004 0.000 1.039 56 S CA 2.097 60.293 58.200 -0.007 0.000 1.033 56 S CB -0.405 62.811 63.200 0.027 0.000 0.887 56 S HN 0.494 nan 8.310 nan 0.000 0.447 57 I N 1.198 121.758 120.570 -0.017 0.000 2.286 57 I HA -0.091 4.080 4.170 0.001 0.000 0.245 57 I C 2.794 178.958 176.117 0.079 0.000 1.104 57 I CA 1.033 62.362 61.300 0.049 0.000 1.397 57 I CB -0.531 37.486 38.000 0.029 0.000 1.072 57 I HN 0.382 nan 8.210 nan 0.000 0.417 58 A N 0.794 123.616 122.820 0.004 0.000 1.898 58 A HA -0.110 4.211 4.320 0.001 0.000 0.216 58 A C 2.546 179.832 177.584 -0.495 0.000 1.181 58 A CA 1.676 53.557 52.037 -0.259 0.000 0.620 58 A CB -0.757 18.160 19.000 -0.138 0.000 0.819 58 A HN 0.411 nan 8.150 nan 0.000 0.442 59 A N 0.050 122.503 122.820 -0.612 0.000 1.877 59 A HA 0.119 4.440 4.320 0.001 0.000 0.216 59 A C 2.517 179.827 177.584 -0.456 0.000 1.186 59 A CA 2.199 53.742 52.037 -0.822 0.000 0.620 59 A CB -1.091 17.730 19.000 -0.300 0.000 0.822 59 A HN 1.097 nan 8.150 nan 0.000 0.443 60 A N -1.557 121.122 122.820 -0.236 0.000 1.940 60 A HA -0.034 4.286 4.320 0.001 0.000 0.219 60 A C 1.866 179.241 177.584 -0.348 0.000 1.176 60 A CA 1.628 53.528 52.037 -0.229 0.000 0.631 60 A CB -0.652 18.315 19.000 -0.056 0.000 0.814 60 A HN 0.484 nan 8.150 nan 0.000 0.446 61 F N -0.767 119.012 119.950 -0.285 0.000 2.664 61 F HA 0.248 4.775 4.527 0.000 0.000 0.296 61 F C 2.492 178.126 175.800 -0.276 0.000 1.125 61 F CA 0.367 58.222 58.000 -0.242 0.000 1.444 61 F CB -0.064 38.819 39.000 -0.194 0.000 1.114 61 F HN 0.246 nan 8.300 nan 0.000 0.576 62 A N -0.165 122.509 122.820 -0.244 0.000 1.930 62 A HA -0.136 4.185 4.320 0.001 0.000 0.215 62 A C 2.223 179.667 177.584 -0.233 0.000 1.176 62 A CA 1.254 53.175 52.037 -0.192 0.000 0.632 62 A CB -0.602 18.250 19.000 -0.246 0.000 0.819 62 A HN 0.387 nan 8.150 nan 0.000 0.445 63 M N -0.822 118.315 119.600 -0.772 0.000 2.099 63 M HA -0.093 4.387 4.480 0.001 0.000 0.262 63 M C 2.008 178.112 176.300 -0.327 0.000 1.067 63 M CA 1.893 56.562 55.300 -1.051 0.000 1.124 63 M CB -0.195 31.605 32.600 -1.334 0.000 1.353 63 M HN 0.348 nan 8.290 nan 0.000 0.410 64 L N 0.787 121.851 121.223 -0.265 0.000 2.083 64 L HA -0.148 4.192 4.340 0.001 0.000 0.209 64 L C 2.566 179.413 176.870 -0.037 0.000 1.083 64 L CA 2.310 57.090 54.840 -0.100 0.000 0.752 64 L CB -0.767 41.095 42.059 -0.328 0.000 0.899 64 L HN 0.592 nan 8.230 nan 0.000 0.433 65 S N -1.238 114.427 115.700 -0.057 0.000 2.469 65 S HA -0.179 4.291 4.470 0.001 0.000 0.238 65 S C 1.980 176.655 174.600 0.125 0.000 0.998 65 S CA 1.223 59.408 58.200 -0.025 0.000 0.957 65 S CB -0.976 62.127 63.200 -0.161 0.000 0.764 65 S HN 0.546 nan 8.310 nan 0.000 0.514 66 L N 0.795 122.092 121.223 0.123 0.000 2.191 66 L HA 0.038 4.378 4.340 0.001 0.000 0.212 66 L C 2.534 179.487 176.870 0.139 0.000 1.103 66 L CA 1.132 56.057 54.840 0.141 0.000 0.769 66 L CB -0.655 41.469 42.059 0.109 0.000 0.908 66 L HN 0.587 nan 8.230 nan 0.000 0.438 67 G N -1.098 107.694 108.800 -0.013 0.000 3.126 67 G HA2 0.421 4.381 3.960 0.001 0.000 0.224 67 G HA3 0.421 4.381 3.960 0.001 0.000 0.224 67 G C 0.415 175.171 174.900 -0.239 0.000 1.142 67 G CA 0.419 45.286 45.100 -0.388 0.000 0.759 67 G HN 0.297 nan 8.290 nan 0.000 0.550 68 A N 0.148 122.930 122.820 -0.064 0.000 2.269 68 A HA 0.900 5.220 4.320 0.001 0.000 0.319 68 A C -0.070 177.549 177.584 0.060 0.000 1.110 68 A CA -0.434 51.597 52.037 -0.009 0.000 0.847 68 A CB 1.356 20.371 19.000 0.025 0.000 1.161 68 A HN 0.207 nan 8.150 nan 0.000 0.497 69 K N -0.927 119.496 120.400 0.037 0.000 2.548 69 K HA 0.615 4.935 4.320 0.001 0.000 0.282 69 K C 0.288 176.899 176.600 0.017 0.000 1.006 69 K CA -0.257 56.026 56.287 -0.007 0.000 0.892 69 K CB 1.973 34.438 32.500 -0.057 0.000 1.499 69 K HN 1.774 nan 8.250 nan 0.000 0.433 70 G N 1.216 110.005 108.800 -0.018 0.000 2.564 70 G HA2 -0.307 3.653 3.960 0.001 0.000 0.273 70 G HA3 -0.307 3.653 3.960 0.001 0.000 0.273 70 G C 0.156 175.086 174.900 0.049 0.000 1.242 70 G CA 0.575 45.678 45.100 0.004 0.000 0.951 70 G HN 0.728 nan 8.290 nan 0.000 0.564 71 D N -0.078 120.346 120.400 0.040 0.000 2.219 71 D HA -0.023 4.617 4.640 0.001 0.000 0.205 71 D C 2.603 178.937 176.300 0.057 0.000 0.970 71 D CA 1.724 55.754 54.000 0.050 0.000 0.851 71 D CB -0.535 40.285 40.800 0.033 0.000 0.943 71 D HN 0.428 nan 8.370 nan 0.000 0.488 72 T N 0.094 114.677 114.554 0.048 0.000 2.684 72 T HA -0.206 4.145 4.350 0.001 0.000 0.267 72 T C 1.771 176.502 174.700 0.051 0.000 1.036 72 T CA 1.212 63.331 62.100 0.031 0.000 1.148 72 T CB -0.277 68.597 68.868 0.010 0.000 0.863 72 T HN 0.345 nan 8.240 nan 0.000 0.436 73 H N 1.365 120.425 119.070 -0.017 0.000 2.326 73 H HA -0.067 4.489 4.556 0.001 0.000 0.301 73 H C 1.673 177.006 175.328 0.009 0.000 1.081 73 H CA 1.811 57.855 56.048 -0.006 0.000 1.334 73 H CB -0.341 29.418 29.762 -0.006 0.000 1.385 73 H HN 0.270 nan 8.280 nan 0.000 0.504 74 D N 0.522 121.060 120.400 0.230 0.000 2.117 74 D HA -0.137 4.503 4.640 0.001 0.000 0.197 74 D C 2.246 178.564 176.300 0.030 0.000 0.987 74 D CA 1.252 55.340 54.000 0.146 0.000 0.829 74 D CB -0.242 40.642 40.800 0.140 0.000 0.961 74 D HN 0.549 nan 8.370 nan 0.000 0.460 75 E N -0.062 120.154 120.200 0.027 0.000 2.110 75 E HA -0.161 4.190 4.350 0.001 0.000 0.193 75 E C 2.017 178.609 176.600 -0.012 0.000 0.988 75 E CA 0.613 57.021 56.400 0.013 0.000 0.804 75 E CB -0.005 29.707 29.700 0.021 0.000 0.745 75 E HN 0.294 nan 8.360 nan 0.000 0.458 76 I N 0.628 121.170 120.570 -0.047 0.000 2.090 76 I HA -0.311 3.859 4.170 0.001 0.000 0.236 76 I C 2.410 178.487 176.117 -0.067 0.000 1.064 76 I CA 0.995 62.262 61.300 -0.056 0.000 1.324 76 I CB -0.274 37.682 38.000 -0.072 0.000 1.044 76 I HN 0.191 nan 8.210 nan 0.000 0.399 77 L N 0.293 121.450 121.223 -0.111 0.000 2.079 77 L HA -0.217 4.123 4.340 0.001 0.000 0.210 77 L C 2.390 179.298 176.870 0.062 0.000 1.081 77 L CA 1.501 56.318 54.840 -0.040 0.000 0.752 77 L CB -0.652 41.330 42.059 -0.128 0.000 0.896 77 L HN 0.321 nan 8.230 nan 0.000 0.433 78 E N -0.154 120.064 120.200 0.030 0.000 2.274 78 E HA -0.112 4.238 4.350 0.001 0.000 0.194 78 E C 2.138 178.752 176.600 0.024 0.000 0.996 78 E CA 0.747 57.174 56.400 0.045 0.000 0.840 78 E CB -0.126 29.596 29.700 0.037 0.000 0.772 78 E HN 0.546 nan 8.360 nan 0.000 0.491 79 G N 0.742 109.543 108.800 0.002 0.000 2.572 79 G HA2 -0.107 3.854 3.960 0.001 0.000 0.216 79 G HA3 -0.107 3.854 3.960 0.001 0.000 0.216 79 G C 1.294 176.174 174.900 -0.032 0.000 1.133 79 G CA 0.002 45.099 45.100 -0.005 0.000 0.791 79 G HN 0.105 nan 8.290 nan 0.000 0.538 80 L N 0.271 121.429 121.223 -0.108 0.000 2.653 80 L HA 0.225 4.566 4.340 0.001 0.000 0.232 80 L C 0.572 177.304 176.870 -0.230 0.000 1.169 80 L CA -0.234 54.403 54.840 -0.339 0.000 0.951 80 L CB -0.319 41.584 42.059 -0.260 0.000 1.181 80 L HN 0.159 nan 8.230 nan 0.000 0.460 81 N N -0.148 118.496 118.700 -0.094 0.000 2.776 81 N HA -0.192 4.548 4.740 0.001 0.000 0.249 81 N C -0.627 174.728 175.510 -0.259 0.000 1.111 81 N CA 0.762 53.727 53.050 -0.141 0.000 0.711 81 N CB -1.147 37.253 38.487 -0.144 0.000 1.065 81 N HN 0.161 nan 8.380 nan 0.000 0.556 82 F N 1.197 121.111 119.950 -0.059 0.000 2.427 82 F HA 0.311 4.839 4.527 0.001 0.000 0.346 82 F C 0.995 176.773 175.800 -0.037 0.000 1.120 82 F CA -0.883 57.081 58.000 -0.060 0.000 1.033 82 F CB 0.951 39.907 39.000 -0.074 0.000 1.126 82 F HN -0.140 nan 8.300 nan 0.000 0.462 83 N N 4.792 123.590 118.700 0.162 0.000 2.437 83 N HA 0.089 4.829 4.740 0.001 0.000 0.243 83 N C 0.711 176.280 175.510 0.099 0.000 1.041 83 N CA -0.178 52.931 53.050 0.098 0.000 0.940 83 N CB 0.812 39.334 38.487 0.059 0.000 1.133 83 N HN 0.542 nan 8.380 nan 0.000 0.506 84 L N 2.539 123.813 121.223 0.085 0.000 2.450 84 L HA -0.079 4.261 4.340 0.001 0.000 0.224 84 L C 1.749 178.652 176.870 0.055 0.000 1.149 84 L CA 1.257 56.138 54.840 0.070 0.000 0.816 84 L CB -1.621 40.485 42.059 0.079 0.000 0.932 84 L HN 0.621 nan 8.230 nan 0.000 0.449 85 T N -5.036 109.548 114.554 0.050 0.000 3.251 85 T HA 0.261 4.611 4.350 0.001 0.000 0.259 85 T C 0.916 175.638 174.700 0.038 0.000 0.998 85 T CA -0.217 61.906 62.100 0.039 0.000 0.905 85 T CB 0.287 69.175 68.868 0.034 0.000 1.067 85 T HN 0.357 nan 8.240 nan 0.000 0.569 86 E N 0.046 120.272 120.200 0.044 0.000 2.617 86 E HA 0.409 4.759 4.350 0.001 0.000 0.208 86 E C -0.402 176.226 176.600 0.045 0.000 0.888 86 E CA -0.168 56.257 56.400 0.042 0.000 1.485 86 E CB 1.288 31.014 29.700 0.043 0.000 1.482 86 E HN 0.494 nan 8.360 nan 0.000 0.813 87 I N 1.984 122.585 120.570 0.051 0.000 2.610 87 I HA 0.333 4.504 4.170 0.001 0.000 0.289 87 I C -2.911 173.218 176.117 0.020 0.000 1.163 87 I CA -2.517 58.808 61.300 0.043 0.000 1.044 87 I CB 2.172 40.208 38.000 0.060 0.000 1.251 87 I HN -0.222 nan 8.210 nan 0.000 0.424 88 P HA 0.068 nan 4.420 nan 0.000 0.265 88 P C 0.304 177.592 177.300 -0.020 0.000 1.193 88 P CA 0.115 63.221 63.100 0.011 0.000 0.765 88 P CB 0.623 32.336 31.700 0.021 0.000 0.823 89 E N 2.887 123.089 120.200 0.003 0.000 2.219 89 E HA -0.276 4.075 4.350 0.001 0.000 0.198 89 E C 1.606 178.227 176.600 0.035 0.000 0.998 89 E CA 1.377 57.772 56.400 -0.008 0.000 0.818 89 E CB -0.182 29.600 29.700 0.137 0.000 0.741 89 E HN 0.526 nan 8.360 nan 0.000 0.477 90 A N 0.728 123.593 122.820 0.075 0.000 1.969 90 A HA -0.194 4.127 4.320 0.001 0.000 0.218 90 A C 2.087 179.689 177.584 0.031 0.000 1.169 90 A CA 1.156 53.250 52.037 0.095 0.000 0.635 90 A CB -0.273 18.759 19.000 0.053 0.000 0.810 90 A HN 0.253 nan 8.150 nan 0.000 0.445 91 Q N -0.072 119.714 119.800 -0.023 0.000 2.079 91 Q HA -0.099 4.241 4.340 0.001 0.000 0.200 91 Q C 2.177 178.098 176.000 -0.133 0.000 0.974 91 Q CA 1.370 57.145 55.803 -0.046 0.000 0.840 91 Q CB -0.506 28.220 28.738 -0.020 0.000 0.898 91 Q HN 0.771 nan 8.270 nan 0.000 0.430 92 I N 0.739 121.150 120.570 -0.265 0.000 2.127 92 I HA -0.305 3.866 4.170 0.001 0.000 0.241 92 I C 2.405 178.346 176.117 -0.294 0.000 1.075 92 I CA 1.361 62.361 61.300 -0.500 0.000 1.334 92 I CB -0.593 36.892 38.000 -0.858 0.000 1.040 92 I HN 0.266 nan 8.210 nan 0.000 0.405 93 H N 0.735 119.811 119.070 0.009 0.000 2.387 93 H HA -0.122 4.434 4.556 0.000 0.000 0.299 93 H C 2.462 177.774 175.328 -0.026 0.000 1.090 93 H CA 1.852 57.959 56.048 0.099 0.000 1.332 93 H CB -0.447 29.380 29.762 0.108 0.000 1.386 93 H HN 0.499 nan 8.280 nan 0.000 0.516 94 E N 1.317 121.547 120.200 0.050 0.000 2.150 94 E HA -0.063 4.287 4.350 0.001 0.000 0.193 94 E C 2.609 179.183 176.600 -0.043 0.000 0.985 94 E CA 0.943 57.339 56.400 -0.006 0.000 0.814 94 E CB -1.158 28.535 29.700 -0.012 0.000 0.752 94 E HN 0.555 nan 8.360 nan 0.000 0.466 95 G N -0.369 108.370 108.800 -0.101 0.000 2.414 95 G HA2 -0.090 3.870 3.960 0.001 0.000 0.215 95 G HA3 -0.090 3.870 3.960 0.001 0.000 0.215 95 G C 1.530 176.336 174.900 -0.156 0.000 1.188 95 G CA 0.944 45.941 45.100 -0.171 0.000 0.783 95 G HN 0.418 nan 8.290 nan 0.000 0.537 96 F N 1.086 120.998 119.950 -0.063 0.000 2.161 96 F HA -0.077 4.451 4.527 0.001 0.000 0.300 96 F C 2.855 178.559 175.800 -0.161 0.000 1.089 96 F CA 1.468 59.425 58.000 -0.071 0.000 1.282 96 F CB -0.560 38.445 39.000 0.007 0.000 1.010 96 F HN 0.230 nan 8.300 nan 0.000 0.485 97 Q N 0.496 120.273 119.800 -0.038 0.000 2.050 97 Q HA -0.233 4.107 4.340 0.001 0.000 0.202 97 Q C 1.989 177.990 176.000 0.002 0.000 0.980 97 Q CA 2.054 57.818 55.803 -0.066 0.000 0.840 97 Q CB -0.129 28.565 28.738 -0.074 0.000 0.898 97 Q HN 0.497 nan 8.270 nan 0.000 0.424 98 E N 0.237 120.432 120.200 -0.007 0.000 2.051 98 E HA -0.205 4.146 4.350 0.001 0.000 0.192 98 E C 2.044 178.637 176.600 -0.012 0.000 0.991 98 E CA 1.139 57.537 56.400 -0.004 0.000 0.799 98 E CB -0.145 29.551 29.700 -0.006 0.000 0.748 98 E HN 0.255 nan 8.360 nan 0.000 0.449 99 L N 1.129 122.348 121.223 -0.007 0.000 1.994 99 L HA -0.146 4.194 4.340 0.001 0.000 0.208 99 L C 2.084 178.942 176.870 -0.020 0.000 1.071 99 L CA 1.597 56.437 54.840 0.001 0.000 0.745 99 L CB -0.533 41.542 42.059 0.026 0.000 0.892 99 L HN 0.141 nan 8.230 nan 0.000 0.431 100 L N -0.651 120.558 121.223 -0.023 0.000 2.127 100 L HA -0.239 4.101 4.340 0.001 0.000 0.211 100 L C 2.750 179.466 176.870 -0.257 0.000 1.089 100 L CA 1.351 56.125 54.840 -0.109 0.000 0.757 100 L CB -0.604 41.391 42.059 -0.107 0.000 0.899 100 L HN 0.345 nan 8.230 nan 0.000 0.434 101 R N 0.347 120.691 120.500 -0.259 0.000 2.073 101 R HA -0.140 4.200 4.340 0.001 0.000 0.234 101 R C 2.129 178.360 176.300 -0.115 0.000 1.134 101 R CA 2.327 58.279 56.100 -0.246 0.000 0.952 101 R CB -1.055 29.218 30.300 -0.047 0.000 0.850 101 R HN 0.180 nan 8.270 nan 0.000 0.433 102 T N 1.138 115.655 114.554 -0.062 0.000 2.867 102 T HA -0.007 4.343 4.350 0.001 0.000 0.268 102 T C 1.595 176.280 174.700 -0.025 0.000 1.057 102 T CA 1.375 63.459 62.100 -0.025 0.000 1.136 102 T CB -0.093 68.771 68.868 -0.007 0.000 0.874 102 T HN 0.164 nan 8.240 nan 0.000 0.466 103 L N 0.973 122.171 121.223 -0.042 0.000 2.395 103 L HA 0.074 4.414 4.340 0.001 0.000 0.218 103 L C 1.917 178.780 176.870 -0.012 0.000 1.130 103 L CA 0.621 55.447 54.840 -0.024 0.000 0.826 103 L CB -0.385 41.656 42.059 -0.030 0.000 0.941 103 L HN 0.192 nan 8.230 nan 0.000 0.451 104 N N -0.849 117.822 118.700 -0.048 0.000 2.336 104 N HA -0.011 4.729 4.740 0.001 0.000 0.189 104 N C 0.261 175.775 175.510 0.007 0.000 1.113 104 N CA 0.194 53.230 53.050 -0.025 0.000 0.858 104 N CB 0.166 38.602 38.487 -0.085 0.000 0.970 104 N HN 0.255 nan 8.380 nan 0.000 0.471 105 Q N 1.298 121.101 119.800 0.006 0.000 2.242 105 Q HA 0.019 4.359 4.340 0.001 0.000 0.284 105 Q C -1.354 174.668 176.000 0.037 0.000 1.130 105 Q CA -0.793 55.024 55.803 0.023 0.000 0.940 105 Q CB 0.489 29.240 28.738 0.022 0.000 1.146 105 Q HN 0.159 nan 8.270 nan 0.000 0.388 106 P HA -0.149 nan 4.420 nan 0.000 0.218 106 P C -0.429 176.898 177.300 0.045 0.000 1.146 106 P CA 1.285 64.413 63.100 0.047 0.000 0.813 106 P CB 0.363 32.089 31.700 0.043 0.000 0.778 107 D N -0.732 119.692 120.400 0.041 0.000 2.638 107 D HA 0.217 4.858 4.640 0.001 0.000 0.245 107 D C -0.368 175.957 176.300 0.042 0.000 1.176 107 D CA -0.072 53.952 54.000 0.040 0.000 0.996 107 D CB -0.197 40.624 40.800 0.035 0.000 1.012 107 D HN 0.035 nan 8.370 nan 0.000 0.515 108 S N -0.258 115.471 115.700 0.048 0.000 2.538 108 S HA 0.255 4.725 4.470 0.001 0.000 0.288 108 S C 0.673 175.308 174.600 0.058 0.000 1.108 108 S CA -0.878 57.352 58.200 0.051 0.000 0.971 108 S CB 2.105 65.334 63.200 0.049 0.000 1.041 108 S HN 0.133 nan 8.310 nan 0.000 0.483 109 Q N 0.499 120.334 119.800 0.060 0.000 2.488 109 Q HA 0.045 4.386 4.340 0.001 0.000 0.211 109 Q C 1.277 177.317 176.000 0.067 0.000 0.967 109 Q CA 0.373 56.214 55.803 0.062 0.000 0.926 109 Q CB -0.259 28.520 28.738 0.068 0.000 0.992 109 Q HN 0.727 nan 8.270 nan 0.000 0.506 110 L N 0.492 121.763 121.223 0.080 0.000 2.109 110 L HA -0.098 4.243 4.340 0.001 0.000 0.207 110 L C 0.154 177.123 176.870 0.166 0.000 1.086 110 L CA 1.447 56.360 54.840 0.122 0.000 0.760 110 L CB 0.047 42.156 42.059 0.082 0.000 0.910 110 L HN 0.170 nan 8.230 nan 0.000 0.437 111 Q N -0.005 119.872 119.800 0.129 0.000 2.457 111 Q HA -0.201 4.139 4.340 0.001 0.000 0.333 111 Q C -0.771 175.372 176.000 0.238 0.000 1.448 111 Q CA 0.852 56.740 55.803 0.142 0.000 0.891 111 Q CB -2.207 26.581 28.738 0.083 0.000 1.142 111 Q HN 0.324 nan 8.270 nan 0.000 0.375 112 L N 0.395 121.764 121.223 0.244 0.000 2.356 112 L HA 0.737 5.077 4.340 0.001 0.000 0.277 112 L C -0.293 176.718 176.870 0.234 0.000 0.996 112 L CA 0.145 55.161 54.840 0.293 0.000 0.822 112 L CB 2.123 44.279 42.059 0.162 0.000 1.256 112 L HN 0.307 nan 8.230 nan 0.000 0.413 113 T N 0.735 115.478 114.554 0.316 0.000 2.812 113 T HA 0.701 5.051 4.350 0.001 0.000 0.282 113 T C -0.305 174.576 174.700 0.303 0.000 0.990 113 T CA -0.587 61.681 62.100 0.281 0.000 0.960 113 T CB 1.468 70.519 68.868 0.304 0.000 0.948 113 T HN 0.738 nan 8.240 nan 0.000 0.438 114 T N 1.335 115.994 114.554 0.175 0.000 2.909 114 T HA 0.819 5.170 4.350 0.001 0.000 0.299 114 T C -0.313 174.305 174.700 -0.136 0.000 1.073 114 T CA -0.093 62.034 62.100 0.045 0.000 0.999 114 T CB 1.348 70.221 68.868 0.008 0.000 1.098 114 T HN 1.271 nan 8.240 nan 0.000 0.477 115 G N 2.539 110.958 108.800 -0.635 0.000 2.682 115 G HA2 0.579 4.539 3.960 0.001 0.000 0.290 115 G HA3 0.579 4.539 3.960 0.001 0.000 0.290 115 G C -1.812 172.782 174.900 -0.509 0.000 1.425 115 G CA -0.695 44.099 45.100 -0.511 0.000 0.807 115 G HN 0.692 nan 8.290 nan 0.000 0.482 116 N N -0.967 117.679 118.700 -0.089 0.000 2.272 116 N HA 0.662 5.402 4.740 0.001 0.000 0.305 116 N C -0.538 175.040 175.510 0.113 0.000 1.103 116 N CA -0.306 52.745 53.050 0.003 0.000 0.791 116 N CB 2.357 40.821 38.487 -0.038 0.000 1.356 116 N HN 0.789 nan 8.380 nan 0.000 0.486 117 G N 1.203 110.031 108.800 0.048 0.000 2.728 117 G HA2 0.533 4.493 3.960 0.001 0.000 0.296 117 G HA3 0.533 4.493 3.960 0.001 0.000 0.296 117 G C -0.754 173.905 174.900 -0.401 0.000 1.401 117 G CA -0.362 44.565 45.100 -0.290 0.000 1.007 117 G HN 0.360 nan 8.290 nan 0.000 0.527 118 L N 2.538 123.410 121.223 -0.584 0.000 2.262 118 L HA 0.517 4.857 4.340 0.001 0.000 0.288 118 L C -0.930 175.691 176.870 -0.415 0.000 1.035 118 L CA -0.647 54.044 54.840 -0.248 0.000 0.820 118 L CB 1.024 43.050 42.059 -0.055 0.000 1.204 118 L HN 0.401 nan 8.230 nan 0.000 0.424 119 F N 4.660 124.807 119.950 0.329 0.000 2.460 119 F HA 0.544 5.072 4.527 0.001 0.000 0.341 119 F C -0.212 175.909 175.800 0.535 0.000 1.130 119 F CA -0.502 57.702 58.000 0.341 0.000 0.962 119 F CB 1.426 40.592 39.000 0.277 0.000 1.171 119 F HN 0.193 nan 8.300 nan 0.000 0.436 120 L N 2.278 123.795 121.223 0.491 0.000 2.342 120 L HA 0.541 4.881 4.340 0.001 0.000 0.271 120 L C 0.037 177.104 176.870 0.328 0.000 1.008 120 L CA -1.054 54.034 54.840 0.413 0.000 0.818 120 L CB 2.302 44.426 42.059 0.107 0.000 1.296 120 L HN 0.625 nan 8.230 nan 0.000 0.427 121 S N 0.159 116.100 115.700 0.400 0.000 2.537 121 S HA 0.103 4.573 4.470 0.001 0.000 0.286 121 S C -0.053 174.616 174.600 0.115 0.000 1.299 121 S CA -0.778 57.584 58.200 0.270 0.000 1.067 121 S CB 0.125 63.533 63.200 0.348 0.000 0.864 121 S HN 0.627 nan 8.310 nan 0.000 0.494 122 E N 1.856 122.087 120.200 0.051 0.000 2.415 122 E HA 0.398 4.749 4.350 0.001 0.000 0.262 122 E C 1.140 177.763 176.600 0.039 0.000 1.038 122 E CA -0.349 56.072 56.400 0.036 0.000 0.921 122 E CB -0.205 29.505 29.700 0.016 0.000 0.950 122 E HN 1.154 nan 8.360 nan 0.000 0.438 123 G N 2.290 111.107 108.800 0.027 0.000 2.234 123 G HA2 -0.262 3.698 3.960 0.001 0.000 0.235 123 G HA3 -0.262 3.698 3.960 0.001 0.000 0.235 123 G C 0.129 175.038 174.900 0.015 0.000 0.997 123 G CA -0.017 45.096 45.100 0.022 0.000 0.623 123 G HN 0.463 nan 8.290 nan 0.000 0.514 124 L N 1.461 122.695 121.223 0.017 0.000 2.360 124 L HA 0.339 4.679 4.340 0.001 0.000 0.276 124 L C 0.967 177.828 176.870 -0.015 0.000 1.121 124 L CA -0.393 54.446 54.840 -0.001 0.000 0.845 124 L CB 1.177 43.233 42.059 -0.006 0.000 1.143 124 L HN 0.183 nan 8.230 nan 0.000 0.452 125 K N 5.216 125.603 120.400 -0.022 0.000 2.338 125 K HA 0.313 4.633 4.320 0.001 0.000 0.290 125 K C -0.713 175.864 176.600 -0.038 0.000 1.069 125 K CA -0.377 55.895 56.287 -0.025 0.000 0.941 125 K CB 0.335 32.821 32.500 -0.024 0.000 1.023 125 K HN 0.509 nan 8.250 nan 0.000 0.477 126 L N 4.211 125.415 121.223 -0.032 0.000 2.375 126 L HA 0.260 4.600 4.340 0.001 0.000 0.271 126 L C -0.026 176.835 176.870 -0.016 0.000 1.107 126 L CA -1.191 53.630 54.840 -0.031 0.000 0.806 126 L CB 1.595 43.648 42.059 -0.010 0.000 1.146 126 L HN 0.322 nan 8.230 nan 0.000 0.447 127 V N 2.430 122.340 119.914 -0.008 0.000 2.479 127 V HA -0.052 4.068 4.120 0.001 0.000 0.281 127 V C 0.999 177.121 176.094 0.045 0.000 1.031 127 V CA 0.002 62.307 62.300 0.008 0.000 1.038 127 V CB 0.827 32.647 31.823 -0.006 0.000 0.981 127 V HN 0.771 nan 8.190 nan 0.000 0.478 128 D N 3.568 123.974 120.400 0.010 0.000 2.123 128 D HA -0.171 4.469 4.640 0.001 0.000 0.196 128 D C 2.002 178.299 176.300 -0.005 0.000 0.992 128 D CA 1.317 55.313 54.000 -0.007 0.000 0.833 128 D CB 0.286 41.074 40.800 -0.020 0.000 0.954 128 D HN 0.533 nan 8.370 nan 0.000 0.455 129 K N 0.761 121.168 120.400 0.012 0.000 2.063 129 K HA -0.180 4.140 4.320 0.001 0.000 0.208 129 K C 1.942 178.561 176.600 0.033 0.000 1.048 129 K CA 0.836 57.129 56.287 0.009 0.000 0.928 129 K CB -0.850 31.659 32.500 0.014 0.000 0.713 129 K HN 0.048 nan 8.250 nan 0.000 0.442 130 F N 1.155 121.053 119.950 -0.087 0.000 2.046 130 F HA -0.128 4.399 4.527 0.000 0.000 0.297 130 F C 1.637 177.377 175.800 -0.100 0.000 1.123 130 F CA 1.737 59.677 58.000 -0.100 0.000 1.199 130 F CB -0.541 38.389 39.000 -0.117 0.000 0.972 130 F HN 0.008 nan 8.300 nan 0.000 0.474 131 L N -0.157 120.925 121.223 -0.235 0.000 2.187 131 L HA -0.211 4.130 4.340 0.001 0.000 0.213 131 L C 2.264 178.969 176.870 -0.274 0.000 1.100 131 L CA 1.598 56.237 54.840 -0.334 0.000 0.765 131 L CB -0.895 41.063 42.059 -0.169 0.000 0.904 131 L HN 0.268 nan 8.230 nan 0.000 0.437 132 E N 0.057 120.146 120.200 -0.186 0.000 2.046 132 E HA -0.174 4.176 4.350 0.001 0.000 0.190 132 E C 1.779 178.280 176.600 -0.164 0.000 0.982 132 E CA 1.084 57.395 56.400 -0.148 0.000 0.800 132 E CB 0.015 29.657 29.700 -0.097 0.000 0.756 132 E HN 0.459 nan 8.360 nan 0.000 0.449 133 D N 0.517 120.814 120.400 -0.172 0.000 2.097 133 D HA -0.127 4.513 4.640 0.001 0.000 0.195 133 D C 2.131 178.346 176.300 -0.140 0.000 0.989 133 D CA 0.875 54.790 54.000 -0.141 0.000 0.827 133 D CB -0.238 40.493 40.800 -0.115 0.000 0.966 133 D HN 0.014 nan 8.370 nan 0.000 0.456 134 V N 1.352 121.090 119.914 -0.294 0.000 2.469 134 V HA -0.276 3.844 4.120 0.001 0.000 0.251 134 V C 2.724 178.733 176.094 -0.142 0.000 1.064 134 V CA 2.570 64.712 62.300 -0.263 0.000 1.066 134 V CB -0.830 30.651 31.823 -0.569 0.000 0.667 134 V HN 0.352 nan 8.190 nan 0.000 0.461 135 K N 0.226 120.514 120.400 -0.187 0.000 2.044 135 K HA -0.025 4.295 4.320 0.001 0.000 0.204 135 K C 2.331 178.802 176.600 -0.215 0.000 1.049 135 K CA 1.678 57.865 56.287 -0.167 0.000 0.945 135 K CB -0.862 31.538 32.500 -0.166 0.000 0.724 135 K HN 0.564 nan 8.250 nan 0.000 0.440 136 K N 0.379 120.654 120.400 -0.208 0.000 2.044 136 K HA 0.264 4.584 4.320 0.001 0.000 0.204 136 K C 2.319 178.732 176.600 -0.310 0.000 1.049 136 K CA 1.379 57.511 56.287 -0.258 0.000 0.945 136 K CB -0.495 31.903 32.500 -0.169 0.000 0.724 136 K HN 0.208 nan 8.250 nan 0.000 0.440 137 L N -1.087 120.023 121.223 -0.189 0.000 2.102 137 L HA 0.155 4.496 4.340 0.001 0.000 0.202 137 L C 1.805 178.497 176.870 -0.298 0.000 1.076 137 L CA 1.278 55.983 54.840 -0.224 0.000 0.761 137 L CB -0.341 41.616 42.059 -0.169 0.000 0.921 137 L HN 0.472 nan 8.230 nan 0.000 0.444 138 Y N -1.892 118.424 120.300 0.027 0.000 2.555 138 Y HA 0.184 4.735 4.550 0.001 0.000 0.259 138 Y C 0.326 176.359 175.900 0.220 0.000 1.179 138 Y CA -0.796 57.383 58.100 0.131 0.000 1.230 138 Y CB -0.700 37.755 38.460 -0.009 0.000 1.146 138 Y HN 0.235 nan 8.280 nan 0.000 0.526 139 H N -1.413 117.666 119.070 0.016 0.000 2.684 139 H HA -0.192 4.365 4.556 0.000 0.000 0.309 139 H C -0.017 175.324 175.328 0.021 0.000 1.102 139 H CA 0.386 56.438 56.048 0.007 0.000 1.147 139 H CB -1.874 27.895 29.762 0.011 0.000 1.391 139 H HN 0.121 nan 8.280 nan 0.000 0.398 140 S N -0.621 115.134 115.700 0.090 0.000 2.664 140 S HA 0.534 5.005 4.470 0.001 0.000 0.304 140 S C 0.247 174.798 174.600 -0.081 0.000 1.099 140 S CA -1.048 57.169 58.200 0.028 0.000 1.003 140 S CB 2.978 66.178 63.200 0.000 0.000 1.092 140 S HN 0.452 nan 8.310 nan 0.000 0.525 141 E N 0.012 120.141 120.200 -0.118 0.000 2.312 141 E HA 0.692 5.043 4.350 0.001 0.000 0.267 141 E C -1.308 175.022 176.600 -0.450 0.000 0.894 141 E CA -0.932 55.291 56.400 -0.296 0.000 0.773 141 E CB 1.697 31.198 29.700 -0.331 0.000 1.241 141 E HN 0.680 nan 8.360 nan 0.000 0.432 142 A N 2.633 125.133 122.820 -0.533 0.000 2.306 142 A HA 0.745 5.065 4.320 0.001 0.000 0.330 142 A C -1.407 175.765 177.584 -0.687 0.000 1.146 142 A CA -0.412 51.351 52.037 -0.456 0.000 0.827 142 A CB 0.441 19.290 19.000 -0.252 0.000 1.178 142 A HN 0.483 nan 8.150 nan 0.000 0.490 143 F N -0.465 119.344 119.950 -0.235 0.000 2.599 143 F HA 0.562 5.089 4.527 0.001 0.000 0.311 143 F C 0.586 176.406 175.800 0.033 0.000 1.076 143 F CA -0.177 57.765 58.000 -0.097 0.000 0.937 143 F CB 2.648 41.587 39.000 -0.103 0.000 1.282 143 F HN 0.631 nan 8.300 nan 0.000 0.460 144 T N 0.301 115.020 114.554 0.275 0.000 2.824 144 T HA 0.813 5.163 4.350 0.001 0.000 0.280 144 T C -0.799 173.959 174.700 0.096 0.000 0.995 144 T CA -0.682 61.510 62.100 0.152 0.000 1.009 144 T CB 1.304 70.224 68.868 0.086 0.000 0.955 144 T HN 0.802 nan 8.240 nan 0.000 0.452 145 V N 0.094 119.969 119.914 -0.066 0.000 3.049 145 V HA 0.604 4.725 4.120 0.001 0.000 0.309 145 V C -0.624 175.254 176.094 -0.360 0.000 1.148 145 V CA -1.324 60.822 62.300 -0.258 0.000 0.990 145 V CB 1.957 33.491 31.823 -0.481 0.000 1.039 145 V HN 1.060 nan 8.190 nan 0.000 0.430 146 N N 1.607 120.156 118.700 -0.252 0.000 2.521 146 N HA 0.327 5.067 4.740 0.001 0.000 0.236 146 N C -0.215 175.209 175.510 -0.144 0.000 1.067 146 N CA -0.548 52.419 53.050 -0.138 0.000 0.939 146 N CB 0.389 38.843 38.487 -0.055 0.000 1.201 146 N HN 0.710 nan 8.380 nan 0.000 0.511 147 F N 2.095 122.070 119.950 0.041 0.000 2.699 147 F HA 0.139 4.666 4.527 0.000 0.000 0.298 147 F C 2.333 178.147 175.800 0.024 0.000 1.154 147 F CA 0.207 58.227 58.000 0.033 0.000 1.457 147 F CB -0.225 38.806 39.000 0.051 0.000 1.106 147 F HN 0.596 nan 8.300 nan 0.000 0.585 148 G N -0.823 108.072 108.800 0.157 0.000 2.442 148 G HA2 -0.263 3.697 3.960 0.001 0.000 0.219 148 G HA3 -0.263 3.697 3.960 0.001 0.000 0.219 148 G C 0.277 175.222 174.900 0.075 0.000 1.141 148 G CA 0.851 46.011 45.100 0.101 0.000 0.763 148 G HN 0.292 nan 8.290 nan 0.000 0.554 149 D N -0.578 119.856 120.400 0.057 0.000 2.477 149 D HA 0.368 5.008 4.640 0.001 0.000 0.239 149 D C 1.548 177.877 176.300 0.049 0.000 1.102 149 D CA -0.294 53.729 54.000 0.037 0.000 0.901 149 D CB 0.550 41.357 40.800 0.011 0.000 1.026 149 D HN -0.079 nan 8.370 nan 0.000 0.515 150 T N 2.075 116.672 114.554 0.072 0.000 2.721 150 T HA -0.184 4.166 4.350 0.001 0.000 0.268 150 T C 1.427 176.157 174.700 0.049 0.000 1.038 150 T CA 1.234 63.386 62.100 0.087 0.000 1.145 150 T CB 0.094 69.002 68.868 0.068 0.000 0.858 150 T HN 0.423 nan 8.240 nan 0.000 0.459 151 E N 0.559 120.773 120.200 0.022 0.000 2.072 151 E HA -0.062 4.289 4.350 0.001 0.000 0.190 151 E C 2.321 178.911 176.600 -0.016 0.000 0.982 151 E CA 0.840 57.242 56.400 0.003 0.000 0.803 151 E CB -0.264 29.436 29.700 -0.000 0.000 0.755 151 E HN 0.455 nan 8.360 nan 0.000 0.453 152 E N 1.279 121.466 120.200 -0.022 0.000 2.106 152 E HA -0.057 4.293 4.350 0.001 0.000 0.192 152 E C 1.873 178.426 176.600 -0.078 0.000 0.984 152 E CA 1.282 57.655 56.400 -0.045 0.000 0.806 152 E CB -0.255 29.421 29.700 -0.041 0.000 0.750 152 E HN 0.152 nan 8.360 nan 0.000 0.458 153 A N 1.077 123.848 122.820 -0.081 0.000 1.883 153 A HA -0.244 4.076 4.320 0.001 0.000 0.217 153 A C 2.211 179.713 177.584 -0.137 0.000 1.186 153 A CA 2.044 53.988 52.037 -0.155 0.000 0.624 153 A CB -0.638 18.300 19.000 -0.104 0.000 0.822 153 A HN 0.282 nan 8.150 nan 0.000 0.444 154 K N -0.292 120.075 120.400 -0.055 0.000 2.002 154 K HA -0.197 4.123 4.320 0.001 0.000 0.209 154 K C 2.404 178.950 176.600 -0.091 0.000 1.048 154 K CA 2.118 58.371 56.287 -0.056 0.000 0.930 154 K CB -0.350 32.141 32.500 -0.015 0.000 0.714 154 K HN 0.365 nan 8.250 nan 0.000 0.438 155 K N 0.141 120.496 120.400 -0.075 0.000 2.063 155 K HA -0.213 4.107 4.320 0.001 0.000 0.208 155 K C 2.345 178.885 176.600 -0.100 0.000 1.048 155 K CA 2.268 58.512 56.287 -0.073 0.000 0.928 155 K CB -1.764 30.703 32.500 -0.055 0.000 0.713 155 K HN 0.594 nan 8.250 nan 0.000 0.442 156 Q N 0.668 120.386 119.800 -0.137 0.000 2.020 156 Q HA 0.047 4.388 4.340 0.001 0.000 0.202 156 Q C 2.393 178.250 176.000 -0.239 0.000 0.982 156 Q CA 1.715 57.417 55.803 -0.168 0.000 0.838 156 Q CB -0.622 28.002 28.738 -0.190 0.000 0.899 156 Q HN 0.733 nan 8.270 nan 0.000 0.423 157 I N 0.990 121.312 120.570 -0.413 0.000 2.163 157 I HA -0.296 3.875 4.170 0.001 0.000 0.243 157 I C 2.145 178.166 176.117 -0.160 0.000 1.085 157 I CA 1.413 62.334 61.300 -0.631 0.000 1.347 157 I CB -0.346 37.222 38.000 -0.720 0.000 1.044 157 I HN 0.432 nan 8.210 nan 0.000 0.408 158 N N 0.776 119.413 118.700 -0.105 0.000 2.166 158 N HA -0.179 4.561 4.740 0.001 0.000 0.186 158 N C 1.416 176.910 175.510 -0.027 0.000 1.019 158 N CA 1.318 54.347 53.050 -0.034 0.000 0.856 158 N CB -0.479 37.982 38.487 -0.043 0.000 0.993 158 N HN 0.343 nan 8.380 nan 0.000 0.426 159 D N 0.039 120.413 120.400 -0.043 0.000 2.149 159 D HA -0.164 4.476 4.640 0.001 0.000 0.198 159 D C 1.804 178.089 176.300 -0.026 0.000 0.990 159 D CA 0.687 54.660 54.000 -0.045 0.000 0.839 159 D CB -0.341 40.426 40.800 -0.054 0.000 0.948 159 D HN 0.376 nan 8.370 nan 0.000 0.460 160 Y N 1.345 121.596 120.300 -0.082 0.000 2.145 160 Y HA -0.210 4.341 4.550 0.000 0.000 0.286 160 Y C 2.122 178.032 175.900 0.017 0.000 1.145 160 Y CA 1.268 59.354 58.100 -0.023 0.000 1.148 160 Y CB -0.351 38.175 38.460 0.110 0.000 0.981 160 Y HN -0.188 nan 8.280 nan 0.000 0.507 161 V N 0.735 120.681 119.914 0.053 0.000 2.515 161 V HA -0.238 3.883 4.120 0.001 0.000 0.250 161 V C 2.277 178.183 176.094 -0.312 0.000 1.058 161 V CA 2.023 64.217 62.300 -0.177 0.000 1.064 161 V CB -0.831 30.992 31.823 -0.001 0.000 0.675 161 V HN 0.397 nan 8.190 nan 0.000 0.461 162 E N 1.564 121.653 120.200 -0.185 0.000 2.051 162 E HA -0.208 4.142 4.350 0.001 0.000 0.192 162 E C 2.265 178.746 176.600 -0.197 0.000 0.991 162 E CA 2.327 58.625 56.400 -0.170 0.000 0.799 162 E CB -0.329 29.305 29.700 -0.109 0.000 0.748 162 E HN 0.548 nan 8.360 nan 0.000 0.449 163 K N 0.108 120.384 120.400 -0.206 0.000 2.103 163 K HA 0.088 4.408 4.320 0.001 0.000 0.204 163 K C 2.358 178.819 176.600 -0.230 0.000 1.052 163 K CA 1.279 57.454 56.287 -0.186 0.000 0.945 163 K CB -1.528 30.881 32.500 -0.152 0.000 0.722 163 K HN 0.333 nan 8.250 nan 0.000 0.443 164 G N 1.206 109.781 108.800 -0.374 0.000 2.421 164 G HA2 -0.217 3.744 3.960 0.001 0.000 0.216 164 G HA3 -0.217 3.744 3.960 0.001 0.000 0.216 164 G C 1.844 176.599 174.900 -0.241 0.000 1.171 164 G CA 1.900 46.805 45.100 -0.324 0.000 0.775 164 G HN 0.687 nan 8.290 nan 0.000 0.543 165 T N -2.709 111.611 114.554 -0.389 0.000 3.219 165 T HA 0.415 4.766 4.350 0.001 0.000 0.249 165 T C 1.305 175.856 174.700 -0.247 0.000 1.099 165 T CA 1.470 63.382 62.100 -0.313 0.000 0.988 165 T CB -0.247 68.379 68.868 -0.403 0.000 0.999 165 T HN 1.362 nan 8.240 nan 0.000 0.550 166 Q N -0.226 119.456 119.800 -0.196 0.000 2.457 166 Q HA -0.062 4.278 4.340 0.001 0.000 0.283 166 Q C 1.811 177.708 176.000 -0.172 0.000 1.234 166 Q CA 1.684 57.391 55.803 -0.159 0.000 0.877 166 Q CB -2.860 25.796 28.738 -0.136 0.000 1.250 166 Q HN 2.336 nan 8.270 nan 0.000 0.481 167 G N -3.383 105.310 108.800 -0.179 0.000 2.195 167 G HA2 0.063 4.024 3.960 0.001 0.000 0.246 167 G HA3 0.063 4.024 3.960 0.001 0.000 0.246 167 G C 1.182 175.978 174.900 -0.174 0.000 0.984 167 G CA 1.453 46.460 45.100 -0.155 0.000 0.633 167 G HN 2.174 nan 8.290 nan 0.000 0.525 168 K N -0.181 120.075 120.400 -0.240 0.000 2.148 168 K HA 0.541 4.862 4.320 0.001 0.000 0.204 168 K C 1.093 177.604 176.600 -0.148 0.000 1.050 168 K CA 1.563 57.697 56.287 -0.256 0.000 0.942 168 K CB -0.146 32.077 32.500 -0.461 0.000 0.724 168 K HN 0.848 nan 8.250 nan 0.000 0.446 169 I N 1.461 121.937 120.570 -0.156 0.000 2.439 169 I HA 0.284 4.454 4.170 0.001 0.000 0.283 169 I C -0.693 175.364 176.117 -0.099 0.000 1.023 169 I CA -1.368 59.868 61.300 -0.105 0.000 1.100 169 I CB 2.169 40.098 38.000 -0.117 0.000 1.238 169 I HN 0.105 nan 8.210 nan 0.000 0.445 170 V N 2.138 122.013 119.914 -0.065 0.000 2.513 170 V HA 0.555 4.676 4.120 0.001 0.000 0.299 170 V C 0.007 176.080 176.094 -0.036 0.000 1.035 170 V CA -0.542 61.724 62.300 -0.056 0.000 0.889 170 V CB 1.598 33.389 31.823 -0.053 0.000 0.988 170 V HN 0.841 nan 8.190 nan 0.000 0.440 171 D N 1.618 121.998 120.400 -0.033 0.000 2.723 171 D HA -0.204 4.436 4.640 0.001 0.000 0.236 171 D C 0.812 177.108 176.300 -0.008 0.000 1.138 171 D CA 1.069 55.056 54.000 -0.022 0.000 0.676 171 D CB -0.466 40.322 40.800 -0.021 0.000 1.069 171 D HN 0.779 nan 8.370 nan 0.000 0.430 172 L N -0.350 120.875 121.223 0.003 0.000 2.013 172 L HA -0.151 4.190 4.340 0.001 0.000 0.212 172 L C 0.797 177.687 176.870 0.033 0.000 1.073 172 L CA 1.856 56.713 54.840 0.029 0.000 0.753 172 L CB 0.060 42.160 42.059 0.067 0.000 0.890 172 L HN 0.114 nan 8.230 nan 0.000 0.432 173 V N -0.111 119.818 119.914 0.025 0.000 2.481 173 V HA 0.532 4.652 4.120 0.001 0.000 0.286 173 V C 1.044 177.143 176.094 0.007 0.000 1.042 173 V CA 0.296 62.610 62.300 0.023 0.000 0.928 173 V CB 0.924 32.760 31.823 0.021 0.000 0.986 173 V HN 0.299 nan 8.190 nan 0.000 0.462 174 K N 1.737 122.141 120.400 0.008 0.000 2.412 174 K HA 0.678 4.999 4.320 0.001 0.000 0.202 174 K C 0.522 177.124 176.600 0.004 0.000 1.102 174 K CA 0.902 57.190 56.287 0.001 0.000 1.027 174 K CB 0.547 33.045 32.500 -0.002 0.000 0.931 174 K HN 1.029 nan 8.250 nan 0.000 0.557 175 E N 0.569 120.774 120.200 0.008 0.000 2.321 175 E HA 0.656 5.006 4.350 0.001 0.000 0.281 175 E C -1.561 175.048 176.600 0.014 0.000 0.910 175 E CA -0.697 55.709 56.400 0.009 0.000 0.770 175 E CB 1.278 30.979 29.700 0.002 0.000 1.225 175 E HN 0.105 nan 8.360 nan 0.000 0.417 176 L N 2.757 123.993 121.223 0.021 0.000 2.343 176 L HA 0.444 4.784 4.340 0.001 0.000 0.278 176 L C -0.130 176.742 176.870 0.004 0.000 0.996 176 L CA -0.801 54.053 54.840 0.023 0.000 0.831 176 L CB 1.249 43.361 42.059 0.088 0.000 1.232 176 L HN 0.971 nan 8.230 nan 0.000 0.413 177 D N 2.294 122.676 120.400 -0.030 0.000 2.423 177 D HA 0.183 4.824 4.640 0.001 0.000 0.238 177 D C 1.440 177.724 176.300 -0.026 0.000 1.142 177 D CA 0.578 54.560 54.000 -0.030 0.000 0.884 177 D CB 1.190 41.964 40.800 -0.044 0.000 1.199 177 D HN 0.611 nan 8.370 nan 0.000 0.438 178 R N 2.791 123.288 120.500 -0.004 0.000 2.083 178 R HA -0.140 4.200 4.340 0.001 0.000 0.237 178 R C 1.420 177.725 176.300 0.007 0.000 1.137 178 R CA 2.280 58.389 56.100 0.014 0.000 0.951 178 R CB -1.421 28.888 30.300 0.016 0.000 0.851 178 R HN 0.851 nan 8.270 nan 0.000 0.434 179 D N -0.056 120.334 120.400 -0.016 0.000 2.352 179 D HA 0.019 4.659 4.640 0.001 0.000 0.236 179 D C -0.543 175.709 176.300 -0.080 0.000 1.148 179 D CA 0.032 54.020 54.000 -0.021 0.000 0.844 179 D CB -0.501 40.295 40.800 -0.008 0.000 0.933 179 D HN 0.258 nan 8.370 nan 0.000 0.507 180 T N 0.751 115.195 114.554 -0.184 0.000 2.928 180 T HA 0.158 4.509 4.350 0.001 0.000 0.305 180 T C 1.517 175.883 174.700 -0.557 0.000 1.035 180 T CA -0.059 61.777 62.100 -0.440 0.000 1.145 180 T CB 1.889 70.311 68.868 -0.743 0.000 0.963 180 T HN 0.206 nan 8.240 nan 0.000 0.545 181 V N 0.484 120.184 119.914 -0.356 0.000 3.480 181 V HA 0.567 4.687 4.120 0.001 0.000 0.263 181 V C -0.238 175.986 176.094 0.217 0.000 1.442 181 V CA -0.168 62.127 62.300 -0.008 0.000 1.053 181 V CB 0.183 32.053 31.823 0.078 0.000 0.846 181 V HN 0.613 nan 8.190 nan 0.000 0.440 182 F N 1.715 121.592 119.950 -0.123 0.000 2.588 182 F HA 0.891 5.419 4.527 0.000 0.000 0.318 182 F C -0.615 175.204 175.800 0.032 0.000 1.155 182 F CA -1.102 56.932 58.000 0.057 0.000 0.967 182 F CB 1.466 40.481 39.000 0.025 0.000 1.236 182 F HN 0.269 nan 8.300 nan 0.000 0.455 183 A N 6.552 129.451 122.820 0.132 0.000 2.449 183 A HA 0.782 5.102 4.320 0.001 0.000 0.302 183 A C -2.278 175.298 177.584 -0.013 0.000 1.048 183 A CA -0.713 51.317 52.037 -0.012 0.000 0.708 183 A CB 1.787 20.904 19.000 0.195 0.000 1.274 183 A HN 0.948 nan 8.150 nan 0.000 0.410 184 L N 2.881 124.038 121.223 -0.110 0.000 2.333 184 L HA 0.779 5.119 4.340 0.001 0.000 0.280 184 L C -1.550 175.399 176.870 0.133 0.000 1.004 184 L CA -0.743 54.063 54.840 -0.056 0.000 0.820 184 L CB 1.692 43.575 42.059 -0.293 0.000 1.247 184 L HN 0.476 nan 8.230 nan 0.000 0.416 185 V N 5.486 125.536 119.914 0.227 0.000 2.448 185 V HA 0.475 4.595 4.120 0.001 0.000 0.295 185 V C -0.484 175.787 176.094 0.296 0.000 1.025 185 V CA -0.596 61.897 62.300 0.322 0.000 0.859 185 V CB 1.787 33.901 31.823 0.484 0.000 0.988 185 V HN 0.817 nan 8.190 nan 0.000 0.431 186 N N 4.433 123.325 118.700 0.320 0.000 2.295 186 N HA 0.513 5.253 4.740 0.001 0.000 0.293 186 N C -1.755 173.972 175.510 0.363 0.000 1.040 186 N CA -0.232 52.976 53.050 0.263 0.000 0.840 186 N CB 2.635 41.294 38.487 0.287 0.000 1.468 186 N HN 0.660 nan 8.380 nan 0.000 0.478 187 Y N 1.943 122.408 120.300 0.276 0.000 2.615 187 Y HA 0.793 5.344 4.550 0.001 0.000 0.341 187 Y C -1.374 174.662 175.900 0.227 0.000 1.089 187 Y CA -1.136 57.087 58.100 0.205 0.000 1.049 187 Y CB 1.384 39.952 38.460 0.179 0.000 1.296 187 Y HN 0.392 nan 8.280 nan 0.000 0.470 188 I N 2.215 123.069 120.570 0.474 0.000 2.753 188 I HA 0.545 4.715 4.170 0.001 0.000 0.291 188 I C -2.423 174.028 176.117 0.556 0.000 1.425 188 I CA -0.821 60.732 61.300 0.421 0.000 1.039 188 I CB 2.027 40.147 38.000 0.200 0.000 1.349 188 I HN 0.769 nan 8.210 nan 0.000 0.430 189 F N 8.583 128.774 119.950 0.402 0.000 2.547 189 F HA 0.751 5.278 4.527 0.001 0.000 0.316 189 F C -2.173 173.885 175.800 0.429 0.000 1.121 189 F CA -0.711 57.506 58.000 0.361 0.000 0.911 189 F CB 1.674 40.804 39.000 0.217 0.000 1.179 189 F HN 0.352 nan 8.300 nan 0.000 0.443 190 F N 6.454 125.945 119.950 -0.766 0.000 2.596 190 F HA 0.564 5.092 4.527 0.001 0.000 0.311 190 F C -1.776 173.506 175.800 -0.864 0.000 1.116 190 F CA -0.841 56.779 58.000 -0.634 0.000 0.957 190 F CB 1.756 40.678 39.000 -0.131 0.000 1.250 190 F HN 0.553 nan 8.300 nan 0.000 0.444 191 K N 4.493 123.928 120.400 -1.608 0.000 2.731 191 K HA 0.563 4.883 4.320 0.001 0.000 0.257 191 K C -0.866 174.948 176.600 -1.309 0.000 1.032 191 K CA -0.446 55.066 56.287 -1.291 0.000 0.983 191 K CB 0.999 33.124 32.500 -0.624 0.000 1.248 191 K HN 0.926 nan 8.250 nan 0.000 0.484 192 G N 1.192 108.953 108.800 -1.732 0.000 2.522 192 G HA2 0.635 4.595 3.960 0.001 0.000 0.304 192 G HA3 0.635 4.595 3.960 0.001 0.000 0.304 192 G C -1.063 173.505 174.900 -0.553 0.000 1.210 192 G CA -0.574 43.883 45.100 -1.071 0.000 0.960 192 G HN 0.569 nan 8.290 nan 0.000 0.497 193 K N -0.498 119.758 120.400 -0.239 0.000 2.270 193 K HA 0.568 4.888 4.320 0.001 0.000 0.255 193 K C -0.715 175.909 176.600 0.041 0.000 0.936 193 K CA -0.890 55.319 56.287 -0.130 0.000 0.809 193 K CB 0.832 33.319 32.500 -0.022 0.000 1.131 193 K HN 0.607 nan 8.250 nan 0.000 0.427 194 W N 1.348 122.764 121.300 0.193 0.000 2.150 194 W HA 0.212 4.872 4.660 0.001 0.000 0.341 194 W C 1.470 178.002 176.519 0.021 0.000 1.276 194 W CA -0.435 56.956 57.345 0.076 0.000 1.238 194 W CB 0.828 30.261 29.460 -0.045 0.000 1.128 194 W HN 0.880 nan 8.180 nan 0.000 0.581 195 E N 0.879 121.237 120.200 0.263 0.000 2.107 195 E HA -0.088 4.262 4.350 0.001 0.000 0.191 195 E C 0.334 176.939 176.600 0.008 0.000 0.982 195 E CA 0.976 57.460 56.400 0.141 0.000 0.809 195 E CB 0.053 29.823 29.700 0.118 0.000 0.756 195 E HN 0.322 nan 8.360 nan 0.000 0.459 196 R N 1.643 122.075 120.500 -0.114 0.000 2.358 196 R HA 0.247 4.587 4.340 0.001 0.000 0.309 196 R C -2.402 173.608 176.300 -0.483 0.000 1.026 196 R CA -1.639 54.188 56.100 -0.455 0.000 0.909 196 R CB 1.600 31.645 30.300 -0.426 0.000 1.153 196 R HN 0.068 nan 8.270 nan 0.000 0.515 197 P HA 0.165 nan 4.420 nan 0.000 0.277 197 P C -0.785 176.259 177.300 -0.428 0.000 1.271 197 P CA -0.248 62.700 63.100 -0.252 0.000 0.795 197 P CB 0.753 32.414 31.700 -0.065 0.000 1.101 198 F N -1.038 118.866 119.950 -0.078 0.000 2.458 198 F HA 0.268 4.795 4.527 0.001 0.000 0.330 198 F C 1.273 177.051 175.800 -0.036 0.000 1.082 198 F CA -0.571 57.378 58.000 -0.085 0.000 0.995 198 F CB 1.010 39.954 39.000 -0.093 0.000 1.170 198 F HN 0.136 nan 8.300 nan 0.000 0.478 199 E N 1.956 122.245 120.200 0.148 0.000 2.180 199 E HA 0.105 4.456 4.350 0.001 0.000 0.283 199 E C 0.793 177.445 176.600 0.087 0.000 1.061 199 E CA -0.107 56.352 56.400 0.097 0.000 0.861 199 E CB 1.607 31.347 29.700 0.067 0.000 1.056 199 E HN 0.495 nan 8.360 nan 0.000 0.407 200 V N 3.903 123.862 119.914 0.076 0.000 2.453 200 V HA -0.356 3.764 4.120 0.001 0.000 0.252 200 V C 2.710 178.818 176.094 0.023 0.000 1.068 200 V CA 2.738 65.065 62.300 0.046 0.000 1.070 200 V CB -0.976 30.872 31.823 0.043 0.000 0.664 200 V HN 0.780 nan 8.190 nan 0.000 0.461 201 K N -0.459 119.957 120.400 0.028 0.000 2.209 201 K HA -0.233 4.088 4.320 0.001 0.000 0.204 201 K C 1.646 178.248 176.600 0.003 0.000 1.048 201 K CA 1.852 58.148 56.287 0.015 0.000 0.940 201 K CB -0.599 31.913 32.500 0.021 0.000 0.729 201 K HN 0.609 nan 8.250 nan 0.000 0.451 202 D N -0.062 120.341 120.400 0.005 0.000 2.349 202 D HA 0.022 4.663 4.640 0.001 0.000 0.215 202 D C -0.133 176.133 176.300 -0.057 0.000 1.016 202 D CA 0.416 54.405 54.000 -0.019 0.000 0.870 202 D CB 0.165 40.962 40.800 -0.005 0.000 0.917 202 D HN 0.325 nan 8.370 nan 0.000 0.524 203 T N 1.702 116.224 114.554 -0.053 0.000 2.814 203 T HA 0.233 4.583 4.350 0.001 0.000 0.297 203 T C 0.341 175.001 174.700 -0.066 0.000 0.956 203 T CA 0.127 62.176 62.100 -0.086 0.000 1.123 203 T CB 1.281 70.103 68.868 -0.078 0.000 0.902 203 T HN -0.000 nan 8.240 nan 0.000 0.528 204 E N 1.595 121.749 120.200 -0.076 0.000 2.392 204 E HA 0.288 4.638 4.350 0.001 0.000 0.269 204 E C -0.746 175.833 176.600 -0.035 0.000 0.924 204 E CA -1.052 55.321 56.400 -0.046 0.000 0.784 204 E CB 1.500 31.177 29.700 -0.039 0.000 1.292 204 E HN 0.424 nan 8.360 nan 0.000 0.447 205 E N 1.885 122.073 120.200 -0.019 0.000 2.316 205 E HA 0.175 4.525 4.350 0.001 0.000 0.275 205 E C -0.645 175.958 176.600 0.005 0.000 1.029 205 E CA 0.391 56.786 56.400 -0.008 0.000 0.871 205 E CB 0.952 30.648 29.700 -0.006 0.000 1.022 205 E HN 0.388 nan 8.360 nan 0.000 0.418 206 E N 1.424 121.636 120.200 0.021 0.000 2.429 206 E HA 0.235 4.586 4.350 0.001 0.000 0.276 206 E C -1.226 175.394 176.600 0.033 0.000 0.953 206 E CA -0.912 55.508 56.400 0.033 0.000 0.787 206 E CB 1.383 31.120 29.700 0.063 0.000 1.307 206 E HN 0.219 nan 8.360 nan 0.000 0.458 207 D N 0.885 121.279 120.400 -0.009 0.000 2.424 207 D HA 0.149 4.789 4.640 0.001 0.000 0.244 207 D C -1.250 174.986 176.300 -0.107 0.000 1.134 207 D CA 0.605 54.542 54.000 -0.106 0.000 0.881 207 D CB 0.211 40.878 40.800 -0.222 0.000 1.191 207 D HN 0.154 nan 8.370 nan 0.000 0.445 208 F N 3.038 122.850 119.950 -0.230 0.000 2.499 208 F HA 0.197 4.724 4.527 0.001 0.000 0.333 208 F C -0.231 175.452 175.800 -0.195 0.000 1.138 208 F CA -0.747 57.182 58.000 -0.119 0.000 0.945 208 F CB 0.922 39.916 39.000 -0.010 0.000 1.181 208 F HN 0.302 nan 8.300 nan 0.000 0.435 209 H N 6.926 125.846 119.070 -0.251 0.000 3.109 209 H HA 0.144 4.700 4.556 0.001 0.000 0.266 209 H C 1.281 176.614 175.328 0.008 0.000 1.334 209 H CA -0.056 55.938 56.048 -0.090 0.000 1.456 209 H CB 0.854 30.532 29.762 -0.140 0.000 1.587 209 H HN 0.552 nan 8.280 nan 0.000 0.500 210 V N 2.760 122.830 119.914 0.260 0.000 2.332 210 V HA -0.259 3.861 4.120 0.001 0.000 0.248 210 V C 0.961 177.164 176.094 0.182 0.000 1.055 210 V CA 2.137 64.609 62.300 0.285 0.000 1.038 210 V CB -0.321 31.629 31.823 0.211 0.000 0.651 210 V HN 0.765 nan 8.190 nan 0.000 0.450 211 D N -3.581 116.905 120.400 0.143 0.000 2.752 211 D HA 0.165 4.805 4.640 0.001 0.000 0.313 211 D C 0.706 177.065 176.300 0.099 0.000 1.225 211 D CA -0.620 53.443 54.000 0.105 0.000 0.976 211 D CB 0.776 41.626 40.800 0.083 0.000 1.443 211 D HN -0.131 nan 8.370 nan 0.000 0.515 212 Q N -1.073 118.764 119.800 0.062 0.000 2.226 212 Q HA -0.080 4.261 4.340 0.001 0.000 0.204 212 Q C 1.231 177.269 176.000 0.062 0.000 0.975 212 Q CA 1.859 57.687 55.803 0.041 0.000 0.866 212 Q CB 0.068 28.817 28.738 0.017 0.000 0.915 212 Q HN 0.451 nan 8.270 nan 0.000 0.440 213 V N -2.990 116.963 119.914 0.065 0.000 3.085 213 V HA 0.393 4.514 4.120 0.001 0.000 0.345 213 V C -0.487 175.646 176.094 0.065 0.000 1.397 213 V CA -0.280 62.056 62.300 0.060 0.000 1.165 213 V CB 0.897 32.744 31.823 0.040 0.000 1.153 213 V HN -0.005 nan 8.190 nan 0.000 0.495 214 T N 1.416 116.021 114.554 0.084 0.000 3.032 214 T HA 0.649 5.000 4.350 0.001 0.000 0.312 214 T C -0.210 174.531 174.700 0.068 0.000 1.078 214 T CA 0.047 62.188 62.100 0.068 0.000 1.028 214 T CB 1.934 70.841 68.868 0.066 0.000 1.091 214 T HN 0.639 nan 8.240 nan 0.000 0.457 215 T N -0.864 113.703 114.554 0.022 0.000 2.916 215 T HA 0.907 5.257 4.350 0.001 0.000 0.292 215 T C -0.355 174.347 174.700 0.004 0.000 1.064 215 T CA -0.927 61.148 62.100 -0.042 0.000 1.011 215 T CB 1.612 70.373 68.868 -0.178 0.000 1.152 215 T HN 0.883 nan 8.240 nan 0.000 0.510 216 V N -1.567 118.364 119.914 0.029 0.000 3.049 216 V HA 0.756 4.877 4.120 0.001 0.000 0.309 216 V C -1.095 175.020 176.094 0.036 0.000 1.148 216 V CA -1.336 60.985 62.300 0.035 0.000 0.990 216 V CB 2.008 33.856 31.823 0.042 0.000 1.039 216 V HN 0.908 nan 8.190 nan 0.000 0.430 217 K N 2.217 122.626 120.400 0.014 0.000 2.205 217 K HA 0.756 5.077 4.320 0.001 0.000 0.279 217 K C -0.441 176.166 176.600 0.013 0.000 1.027 217 K CA -0.251 56.044 56.287 0.014 0.000 0.932 217 K CB 1.778 34.278 32.500 0.001 0.000 1.032 217 K HN 1.293 nan 8.250 nan 0.000 0.466 218 V N -0.431 119.500 119.914 0.028 0.000 2.932 218 V HA 0.525 4.645 4.120 0.001 0.000 0.307 218 V C -2.768 173.326 176.094 0.001 0.000 1.147 218 V CA -2.525 59.777 62.300 0.003 0.000 0.951 218 V CB 2.252 34.075 31.823 -0.001 0.000 1.031 218 V HN 0.517 nan 8.190 nan 0.000 0.426 219 P HA 0.269 nan 4.420 nan 0.000 0.266 219 P C -0.882 176.382 177.300 -0.060 0.000 1.215 219 P CA 0.126 63.201 63.100 -0.042 0.000 0.763 219 P CB 0.957 32.627 31.700 -0.049 0.000 0.806 220 M N 5.226 124.781 119.600 -0.074 0.000 2.072 220 M HA 0.334 4.814 4.480 0.001 0.000 0.331 220 M C -0.286 175.876 176.300 -0.230 0.000 1.004 220 M CA -0.658 54.573 55.300 -0.115 0.000 0.952 220 M CB 0.732 33.308 32.600 -0.040 0.000 1.511 220 M HN 0.231 nan 8.290 nan 0.000 0.422 221 M N 4.768 124.146 119.600 -0.370 0.000 2.242 221 M HA 0.390 4.871 4.480 0.001 0.000 0.344 221 M C -0.262 175.713 176.300 -0.540 0.000 1.140 221 M CA 0.091 55.063 55.300 -0.547 0.000 1.160 221 M CB 0.644 32.602 32.600 -1.070 0.000 1.491 221 M HN 0.582 nan 8.290 nan 0.000 0.459 222 K N 1.441 121.660 120.400 -0.303 0.000 2.546 222 K HA 0.794 5.114 4.320 0.001 0.000 0.264 222 K C -1.546 175.130 176.600 0.126 0.000 0.937 222 K CA -1.131 55.033 56.287 -0.205 0.000 0.833 222 K CB 2.752 34.879 32.500 -0.621 0.000 1.378 222 K HN 0.794 nan 8.250 nan 0.000 0.432 223 R N 1.847 122.450 120.500 0.171 0.000 2.604 223 R HA 0.327 4.668 4.340 0.001 0.000 0.261 223 R C -2.041 174.386 176.300 0.212 0.000 1.080 223 R CA -0.896 55.304 56.100 0.168 0.000 0.917 223 R CB 1.559 31.923 30.300 0.107 0.000 1.252 223 R HN 0.679 nan 8.270 nan 0.000 0.456 224 L N 3.612 124.918 121.223 0.140 0.000 2.264 224 L HA 0.854 5.194 4.340 0.001 0.000 0.289 224 L C -0.391 176.527 176.870 0.079 0.000 1.044 224 L CA 0.619 55.547 54.840 0.147 0.000 0.807 224 L CB 1.241 43.346 42.059 0.076 0.000 1.192 224 L HN 0.824 nan 8.230 nan 0.000 0.425 225 G N 4.372 113.223 108.800 0.085 0.000 2.494 225 G HA2 0.345 4.305 3.960 0.001 0.000 0.308 225 G HA3 0.345 4.305 3.960 0.001 0.000 0.308 225 G C -1.522 173.194 174.900 -0.306 0.000 1.263 225 G CA -0.900 44.060 45.100 -0.233 0.000 0.840 225 G HN 0.312 nan 8.290 nan 0.000 0.479 226 M N 0.905 120.205 119.600 -0.500 0.000 2.088 226 M HA 0.586 5.066 4.480 0.001 0.000 0.346 226 M C -1.466 174.505 176.300 -0.547 0.000 1.111 226 M CA -0.439 54.666 55.300 -0.326 0.000 1.017 226 M CB 0.190 32.672 32.600 -0.197 0.000 1.568 226 M HN 0.310 nan 8.290 nan 0.000 0.445 227 F N 0.986 120.912 119.950 -0.039 0.000 2.561 227 F HA 0.356 4.883 4.527 0.001 0.000 0.321 227 F C 0.848 176.649 175.800 0.002 0.000 1.065 227 F CA -0.876 57.094 58.000 -0.049 0.000 0.934 227 F CB 1.390 40.347 39.000 -0.071 0.000 1.215 227 F HN 0.513 nan 8.300 nan 0.000 0.471 228 N N 2.825 121.648 118.700 0.206 0.000 2.807 228 N HA 0.403 5.143 4.740 0.001 0.000 0.259 228 N C -1.249 174.365 175.510 0.173 0.000 1.149 228 N CA 0.033 53.176 53.050 0.154 0.000 1.042 228 N CB 0.045 38.601 38.487 0.116 0.000 1.367 228 N HN 0.560 nan 8.380 nan 0.000 0.516 229 I N 1.857 122.556 120.570 0.214 0.000 2.802 229 I HA 0.344 4.514 4.170 0.001 0.000 0.298 229 I C -1.763 174.547 176.117 0.322 0.000 1.176 229 I CA -0.495 60.954 61.300 0.249 0.000 1.025 229 I CB 1.658 39.800 38.000 0.236 0.000 1.243 229 I HN 0.442 nan 8.210 nan 0.000 0.424 230 Q N 5.897 125.907 119.800 0.349 0.000 2.702 230 Q HA 0.273 4.614 4.340 0.001 0.000 0.289 230 Q C -1.859 174.075 176.000 -0.109 0.000 0.923 230 Q CA -0.852 55.063 55.803 0.188 0.000 0.787 230 Q CB 1.577 30.409 28.738 0.157 0.000 1.476 230 Q HN 0.741 nan 8.270 nan 0.000 0.402 231 H N 0.884 119.553 119.070 -0.668 0.000 2.488 231 H HA 0.435 4.991 4.556 0.001 0.000 0.322 231 H C -1.174 173.952 175.328 -0.336 0.000 1.078 231 H CA 0.082 55.594 56.048 -0.894 0.000 1.260 231 H CB 1.592 30.420 29.762 -1.556 0.000 1.425 231 H HN 0.617 nan 8.280 nan 0.000 0.471 232 S N 3.560 118.978 115.700 -0.471 0.000 2.422 232 S HA 0.339 4.809 4.470 0.001 0.000 0.298 232 S C 1.137 175.665 174.600 -0.119 0.000 1.118 232 S CA -0.022 58.115 58.200 -0.106 0.000 1.083 232 S CB 0.544 63.820 63.200 0.126 0.000 0.971 232 S HN 0.848 nan 8.310 nan 0.000 0.478 233 K N 4.737 125.174 120.400 0.060 0.000 2.217 233 K HA 0.045 4.365 4.320 0.001 0.000 0.202 233 K C 1.905 178.559 176.600 0.090 0.000 1.051 233 K CA 1.200 57.550 56.287 0.105 0.000 0.952 233 K CB -0.546 32.001 32.500 0.078 0.000 0.736 233 K HN 0.596 nan 8.250 nan 0.000 0.453 234 K N 0.188 120.639 120.400 0.084 0.000 2.097 234 K HA 0.077 4.397 4.320 0.001 0.000 0.205 234 K C 1.714 178.416 176.600 0.171 0.000 1.050 234 K CA 1.230 57.582 56.287 0.107 0.000 0.938 234 K CB -0.116 32.424 32.500 0.067 0.000 0.718 234 K HN 0.466 nan 8.250 nan 0.000 0.442 235 L N 0.445 121.744 121.223 0.126 0.000 2.616 235 L HA 0.085 4.425 4.340 0.001 0.000 0.229 235 L C 0.201 177.182 176.870 0.185 0.000 1.110 235 L CA -0.019 54.883 54.840 0.104 0.000 0.884 235 L CB 0.153 42.255 42.059 0.071 0.000 1.115 235 L HN -0.055 nan 8.230 nan 0.000 0.481 236 S N 0.436 116.204 115.700 0.113 0.000 3.682 236 S HA -0.156 4.314 4.470 0.001 0.000 0.354 236 S C 0.060 174.652 174.600 -0.014 0.000 1.034 236 S CA 0.627 58.874 58.200 0.079 0.000 1.084 236 S CB -1.483 61.794 63.200 0.127 0.000 0.903 236 S HN 0.524 nan 8.310 nan 0.000 0.470 237 S N -1.058 114.477 115.700 -0.275 0.000 2.550 237 S HA 0.607 5.078 4.470 0.001 0.000 0.270 237 S C -0.797 173.558 174.600 -0.409 0.000 1.145 237 S CA -1.035 57.057 58.200 -0.181 0.000 0.852 237 S CB 0.881 64.131 63.200 0.084 0.000 1.119 237 S HN 0.417 nan 8.310 nan 0.000 0.465 238 W N 1.518 122.688 121.300 -0.217 0.000 2.316 238 W HA 0.585 5.246 4.660 0.001 0.000 0.321 238 W C -0.589 175.860 176.519 -0.117 0.000 1.203 238 W CA -0.208 57.046 57.345 -0.152 0.000 1.214 238 W CB 0.879 30.256 29.460 -0.139 0.000 1.169 238 W HN 0.334 nan 8.180 nan 0.000 0.561 239 V N 5.518 125.471 119.914 0.065 0.000 2.487 239 V HA 0.436 4.557 4.120 0.001 0.000 0.298 239 V C -0.904 175.146 176.094 -0.073 0.000 1.028 239 V CA -1.065 61.098 62.300 -0.229 0.000 0.860 239 V CB 1.231 32.559 31.823 -0.824 0.000 0.991 239 V HN 0.325 nan 8.190 nan 0.000 0.427 240 L N 6.186 127.378 121.223 -0.051 0.000 2.365 240 L HA 0.815 5.155 4.340 0.001 0.000 0.273 240 L C -1.399 175.459 176.870 -0.020 0.000 1.000 240 L CA -0.250 54.583 54.840 -0.011 0.000 0.819 240 L CB 1.735 43.724 42.059 -0.117 0.000 1.284 240 L HN 0.521 nan 8.230 nan 0.000 0.418 241 L N 5.858 127.092 121.223 0.017 0.000 2.356 241 L HA 0.631 4.972 4.340 0.001 0.000 0.277 241 L C -0.670 176.237 176.870 0.062 0.000 0.996 241 L CA -0.126 54.741 54.840 0.045 0.000 0.822 241 L CB 1.903 43.999 42.059 0.062 0.000 1.256 241 L HN 0.563 nan 8.230 nan 0.000 0.413 242 M N 3.230 122.876 119.600 0.076 0.000 2.190 242 M HA 0.410 4.890 4.480 0.001 0.000 0.312 242 M C -0.609 175.760 176.300 0.115 0.000 0.990 242 M CA -0.647 54.669 55.300 0.027 0.000 0.927 242 M CB 2.010 34.499 32.600 -0.185 0.000 1.571 242 M HN 0.454 nan 8.290 nan 0.000 0.427 243 K N 2.283 122.755 120.400 0.120 0.000 2.276 243 K HA 0.379 4.700 4.320 0.001 0.000 0.283 243 K C -1.107 175.642 176.600 0.249 0.000 1.044 243 K CA -0.231 56.157 56.287 0.167 0.000 0.944 243 K CB 0.942 33.523 32.500 0.136 0.000 1.012 243 K HN 0.379 nan 8.250 nan 0.000 0.472 244 Y N 1.342 121.808 120.300 0.277 0.000 2.335 244 Y HA 0.148 4.699 4.550 0.001 0.000 0.323 244 Y C 0.210 176.196 175.900 0.143 0.000 1.224 244 Y CA -0.762 57.455 58.100 0.195 0.000 1.241 244 Y CB 0.672 39.213 38.460 0.135 0.000 1.235 244 Y HN 0.373 nan 8.280 nan 0.000 0.492 245 L N 2.422 123.835 121.223 0.316 0.000 2.325 245 L HA 0.468 4.808 4.340 0.001 0.000 0.284 245 L C 0.650 177.622 176.870 0.171 0.000 1.089 245 L CA 0.606 55.565 54.840 0.198 0.000 0.836 245 L CB -0.235 41.917 42.059 0.156 0.000 1.184 245 L HN 0.803 nan 8.230 nan 0.000 0.444 246 G N 3.468 112.358 108.800 0.149 0.000 2.161 246 G HA2 -0.178 3.782 3.960 0.001 0.000 0.140 246 G HA3 -0.178 3.782 3.960 0.001 0.000 0.140 246 G C 0.060 175.025 174.900 0.108 0.000 1.040 246 G CA -0.320 44.849 45.100 0.115 0.000 0.735 246 G HN 0.683 nan 8.290 nan 0.000 0.496 247 N N -1.161 117.615 118.700 0.127 0.000 2.726 247 N HA 0.027 4.768 4.740 0.001 0.000 0.253 247 N C 0.051 175.629 175.510 0.114 0.000 1.059 247 N CA 1.643 54.760 53.050 0.111 0.000 0.701 247 N CB -1.477 37.057 38.487 0.078 0.000 0.899 247 N HN 2.038 nan 8.380 nan 0.000 0.548 248 A N -0.526 122.404 122.820 0.183 0.000 2.574 248 A HA 0.814 5.135 4.320 0.001 0.000 0.297 248 A C -0.440 177.348 177.584 0.341 0.000 1.062 248 A CA -0.404 51.758 52.037 0.208 0.000 0.686 248 A CB 1.886 20.961 19.000 0.125 0.000 1.285 248 A HN 0.063 nan 8.150 nan 0.000 0.403 249 T N 1.035 115.762 114.554 0.287 0.000 2.886 249 T HA 0.697 5.047 4.350 0.001 0.000 0.292 249 T C -0.333 174.499 174.700 0.220 0.000 1.012 249 T CA 0.195 62.438 62.100 0.239 0.000 0.982 249 T CB 1.632 70.597 68.868 0.161 0.000 1.018 249 T HN 1.535 nan 8.240 nan 0.000 0.451 250 A N 3.248 126.163 122.820 0.158 0.000 2.304 250 A HA 0.854 5.174 4.320 0.001 0.000 0.323 250 A C -0.591 176.925 177.584 -0.114 0.000 1.195 250 A CA -0.691 51.371 52.037 0.042 0.000 0.826 250 A CB 0.347 19.413 19.000 0.111 0.000 1.184 250 A HN 0.910 nan 8.150 nan 0.000 0.496 251 I N 2.131 122.539 120.570 -0.270 0.000 2.466 251 I HA 0.703 4.873 4.170 0.001 0.000 0.289 251 I C -1.754 174.067 176.117 -0.494 0.000 1.026 251 I CA -0.889 60.236 61.300 -0.292 0.000 1.078 251 I CB 1.026 38.913 38.000 -0.188 0.000 1.249 251 I HN 0.571 nan 8.210 nan 0.000 0.429 252 F N 6.902 126.649 119.950 -0.339 0.000 2.495 252 F HA 0.526 5.053 4.527 0.001 0.000 0.327 252 F C -0.829 174.788 175.800 -0.306 0.000 1.103 252 F CA -0.588 57.318 58.000 -0.157 0.000 0.949 252 F CB 1.565 40.374 39.000 -0.319 0.000 1.142 252 F HN 0.206 nan 8.300 nan 0.000 0.457 253 F N 3.825 124.055 119.950 0.468 0.000 2.403 253 F HA 0.423 4.951 4.527 0.000 0.000 0.355 253 F C -0.502 175.518 175.800 0.366 0.000 1.119 253 F CA -0.785 57.392 58.000 0.295 0.000 1.007 253 F CB 1.415 40.509 39.000 0.158 0.000 1.194 253 F HN 0.197 nan 8.300 nan 0.000 0.443 254 L N 7.768 129.194 121.223 0.338 0.000 2.287 254 L HA 0.530 4.871 4.340 0.001 0.000 0.280 254 L C -2.341 174.624 176.870 0.158 0.000 1.055 254 L CA -2.417 52.503 54.840 0.134 0.000 0.863 254 L CB 0.271 42.066 42.059 -0.440 0.000 1.245 254 L HN 0.181 nan 8.230 nan 0.000 0.432 255 P HA 0.097 nan 4.420 nan 0.000 0.271 255 P C -0.773 176.607 177.300 0.134 0.000 1.218 255 P CA -0.263 62.937 63.100 0.167 0.000 0.780 255 P CB 0.925 32.735 31.700 0.184 0.000 0.901 256 D N 1.227 121.708 120.400 0.135 0.000 2.363 256 D HA 0.030 4.670 4.640 0.001 0.000 0.240 256 D C 0.596 176.940 176.300 0.074 0.000 1.236 256 D CA 0.139 54.211 54.000 0.120 0.000 0.927 256 D CB 0.378 41.257 40.800 0.131 0.000 1.150 256 D HN 0.365 nan 8.370 nan 0.000 0.458 257 E N 0.003 120.226 120.200 0.039 0.000 2.652 257 E HA 0.121 4.472 4.350 0.001 0.000 0.255 257 E C 1.148 177.765 176.600 0.028 0.000 0.952 257 E CA 0.536 56.947 56.400 0.018 0.000 0.947 257 E CB 0.217 29.911 29.700 -0.010 0.000 0.912 257 E HN 0.717 nan 8.360 nan 0.000 0.489 258 G N 3.821 112.644 108.800 0.038 0.000 2.175 258 G HA2 -0.310 3.650 3.960 0.001 0.000 0.265 258 G HA3 -0.310 3.650 3.960 0.001 0.000 0.265 258 G C 0.695 175.629 174.900 0.056 0.000 0.979 258 G CA 0.405 45.530 45.100 0.040 0.000 0.663 258 G HN 0.381 nan 8.290 nan 0.000 0.533 259 K N -0.399 120.049 120.400 0.080 0.000 2.440 259 K HA 0.366 4.687 4.320 0.001 0.000 0.206 259 K C 1.980 178.679 176.600 0.165 0.000 1.025 259 K CA -0.014 56.346 56.287 0.121 0.000 1.135 259 K CB 0.357 32.927 32.500 0.116 0.000 0.856 259 K HN 0.423 nan 8.250 nan 0.000 0.502 260 L N 1.260 122.567 121.223 0.140 0.000 2.017 260 L HA -0.201 4.139 4.340 0.001 0.000 0.208 260 L C 1.749 178.703 176.870 0.140 0.000 1.073 260 L CA 2.027 56.959 54.840 0.153 0.000 0.745 260 L CB -0.159 41.992 42.059 0.153 0.000 0.894 260 L HN 0.033 nan 8.230 nan 0.000 0.432 261 Q N -1.146 118.726 119.800 0.120 0.000 2.124 261 Q HA -0.232 4.108 4.340 0.001 0.000 0.202 261 Q C 2.185 178.243 176.000 0.097 0.000 0.977 261 Q CA 1.907 57.767 55.803 0.096 0.000 0.850 261 Q CB -0.659 28.112 28.738 0.055 0.000 0.901 261 Q HN 0.775 nan 8.270 nan 0.000 0.429 262 H N 0.094 119.180 119.070 0.028 0.000 2.290 262 H HA -0.141 4.415 4.556 0.001 0.000 0.298 262 H C 1.738 177.068 175.328 0.002 0.000 1.087 262 H CA 1.738 57.794 56.048 0.013 0.000 1.291 262 H CB -0.363 29.408 29.762 0.015 0.000 1.369 262 H HN 0.255 nan 8.280 nan 0.000 0.492 263 L N 0.993 122.173 121.223 -0.070 0.000 2.012 263 L HA -0.142 4.199 4.340 0.001 0.000 0.210 263 L C 1.933 178.692 176.870 -0.185 0.000 1.073 263 L CA 2.181 56.930 54.840 -0.152 0.000 0.748 263 L CB -0.704 41.361 42.059 0.009 0.000 0.891 263 L HN 0.454 nan 8.230 nan 0.000 0.431 264 E N -0.727 119.443 120.200 -0.050 0.000 2.265 264 E HA -0.194 4.156 4.350 0.001 0.000 0.196 264 E C 1.653 178.221 176.600 -0.053 0.000 0.996 264 E CA 0.855 57.255 56.400 0.000 0.000 0.832 264 E CB -0.292 29.551 29.700 0.238 0.000 0.756 264 E HN 0.575 nan 8.360 nan 0.000 0.491 265 N N 0.407 119.054 118.700 -0.089 0.000 2.409 265 N HA -0.071 4.670 4.740 0.001 0.000 0.174 265 N C 1.242 176.635 175.510 -0.195 0.000 1.037 265 N CA 0.583 53.577 53.050 -0.095 0.000 0.898 265 N CB 0.453 38.910 38.487 -0.051 0.000 1.010 265 N HN 0.085 nan 8.380 nan 0.000 0.445 266 E N 0.455 120.473 120.200 -0.303 0.000 2.447 266 E HA 0.120 4.470 4.350 0.001 0.000 0.195 266 E C 0.327 176.744 176.600 -0.305 0.000 1.028 266 E CA -0.170 56.048 56.400 -0.304 0.000 0.876 266 E CB 0.469 29.927 29.700 -0.403 0.000 0.885 266 E HN 0.350 nan 8.360 nan 0.000 0.500 267 L N 2.179 123.160 121.223 -0.403 0.000 2.455 267 L HA 0.045 4.385 4.340 0.001 0.000 0.272 267 L C 0.749 177.228 176.870 -0.652 0.000 1.174 267 L CA 0.386 54.908 54.840 -0.531 0.000 0.869 267 L CB 0.293 41.936 42.059 -0.694 0.000 1.130 267 L HN 0.022 nan 8.230 nan 0.000 0.474 268 T N -2.441 111.857 114.554 -0.425 0.000 2.864 268 T HA 0.203 4.554 4.350 0.001 0.000 0.299 268 T C 0.539 175.295 174.700 0.093 0.000 1.166 268 T CA -0.723 61.236 62.100 -0.236 0.000 1.007 268 T CB 1.409 70.233 68.868 -0.074 0.000 1.219 268 T HN 0.597 nan 8.240 nan 0.000 0.506 269 H N 0.486 119.728 119.070 0.288 0.000 2.353 269 H HA -0.056 4.500 4.556 0.001 0.000 0.300 269 H C 1.661 177.097 175.328 0.180 0.000 1.090 269 H CA 2.619 58.850 56.048 0.305 0.000 1.327 269 H CB -0.308 29.595 29.762 0.235 0.000 1.383 269 H HN 0.843 nan 8.280 nan 0.000 0.508 270 D N -0.526 119.889 120.400 0.024 0.000 2.097 270 D HA -0.139 4.502 4.640 0.001 0.000 0.195 270 D C 2.265 178.520 176.300 -0.075 0.000 0.989 270 D CA 1.746 55.711 54.000 -0.058 0.000 0.827 270 D CB -0.150 40.657 40.800 0.013 0.000 0.966 270 D HN 0.497 nan 8.370 nan 0.000 0.456 271 I N 0.292 120.845 120.570 -0.028 0.000 2.179 271 I HA -0.227 3.944 4.170 0.001 0.000 0.242 271 I C 2.256 178.440 176.117 0.111 0.000 1.088 271 I CA 0.776 62.070 61.300 -0.010 0.000 1.357 271 I CB -0.216 37.799 38.000 0.026 0.000 1.051 271 I HN 0.183 nan 8.210 nan 0.000 0.409 272 I N 0.286 120.966 120.570 0.183 0.000 2.226 272 I HA -0.280 3.890 4.170 0.001 0.000 0.245 272 I C 2.522 178.764 176.117 0.209 0.000 1.100 272 I CA 1.558 63.065 61.300 0.345 0.000 1.374 272 I CB -0.601 37.587 38.000 0.314 0.000 1.057 272 I HN 0.241 nan 8.210 nan 0.000 0.413 273 T N 0.921 115.465 114.554 -0.016 0.000 2.720 273 T HA -0.220 4.130 4.350 0.001 0.000 0.268 273 T C 2.018 176.697 174.700 -0.035 0.000 1.037 273 T CA 1.306 63.367 62.100 -0.065 0.000 1.144 273 T CB -0.236 68.492 68.868 -0.234 0.000 0.864 273 T HN 0.259 nan 8.240 nan 0.000 0.444 274 K N 0.738 121.072 120.400 -0.110 0.000 2.074 274 K HA -0.141 4.180 4.320 0.001 0.000 0.209 274 K C 1.855 178.325 176.600 -0.217 0.000 1.048 274 K CA 1.591 57.752 56.287 -0.210 0.000 0.926 274 K CB -0.569 31.718 32.500 -0.355 0.000 0.713 274 K HN 0.342 nan 8.250 nan 0.000 0.444 275 F N 1.354 121.336 119.950 0.053 0.000 2.146 275 F HA -0.033 4.495 4.527 0.001 0.000 0.298 275 F C 2.331 178.162 175.800 0.052 0.000 1.096 275 F CA 0.811 58.847 58.000 0.061 0.000 1.275 275 F CB -0.472 38.581 39.000 0.088 0.000 1.008 275 F HN -0.083 nan 8.300 nan 0.000 0.480 276 L N -0.330 121.024 121.223 0.219 0.000 2.275 276 L HA -0.174 4.166 4.340 0.001 0.000 0.215 276 L C 1.957 178.884 176.870 0.094 0.000 1.119 276 L CA 1.199 56.129 54.840 0.151 0.000 0.790 276 L CB -0.542 41.600 42.059 0.139 0.000 0.919 276 L HN 0.228 nan 8.230 nan 0.000 0.443 277 E N -0.705 119.529 120.200 0.056 0.000 2.170 277 E HA 0.002 4.353 4.350 0.001 0.000 0.191 277 E C 0.423 177.040 176.600 0.029 0.000 0.981 277 E CA 0.083 56.497 56.400 0.023 0.000 0.830 277 E CB 0.136 29.828 29.700 -0.013 0.000 0.775 277 E HN 0.425 nan 8.360 nan 0.000 0.470 278 N N 1.631 120.356 118.700 0.041 0.000 2.444 278 N HA 0.047 4.787 4.740 0.001 0.000 0.271 278 N C -0.010 175.546 175.510 0.076 0.000 1.069 278 N CA 0.233 53.312 53.050 0.049 0.000 0.965 278 N CB 1.267 39.781 38.487 0.045 0.000 1.092 278 N HN 0.175 nan 8.380 nan 0.000 0.476 279 E N 0.198 120.433 120.200 0.058 0.000 2.526 279 E HA 0.062 4.413 4.350 0.001 0.000 0.208 279 E C -0.696 175.937 176.600 0.055 0.000 0.997 279 E CA -0.294 56.142 56.400 0.059 0.000 0.961 279 E CB 0.577 30.304 29.700 0.044 0.000 1.030 279 E HN 0.493 nan 8.360 nan 0.000 0.483 280 D N 1.923 122.357 120.400 0.057 0.000 2.443 280 D HA 0.083 4.723 4.640 0.001 0.000 0.239 280 D C 0.304 176.646 176.300 0.069 0.000 1.136 280 D CA 0.790 54.822 54.000 0.053 0.000 0.879 280 D CB 0.799 41.631 40.800 0.052 0.000 1.195 280 D HN -0.006 nan 8.370 nan 0.000 0.443 281 R N 0.852 121.385 120.500 0.055 0.000 2.919 281 R HA 0.745 5.086 4.340 0.001 0.000 0.260 281 R C -0.110 176.233 176.300 0.070 0.000 1.067 281 R CA -0.988 55.151 56.100 0.065 0.000 1.003 281 R CB 2.046 32.358 30.300 0.020 0.000 1.192 281 R HN 0.459 nan 8.270 nan 0.000 0.488 282 R N -1.464 119.094 120.500 0.097 0.000 2.739 282 R HA 0.366 4.707 4.340 0.001 0.000 0.271 282 R C -1.085 175.282 176.300 0.112 0.000 1.010 282 R CA -0.923 55.237 56.100 0.100 0.000 0.897 282 R CB 1.159 31.538 30.300 0.131 0.000 1.236 282 R HN 0.671 nan 8.270 nan 0.000 0.466 283 S N 0.739 116.493 115.700 0.090 0.000 2.562 283 S HA 0.679 5.150 4.470 0.001 0.000 0.281 283 S C 0.013 174.698 174.600 0.140 0.000 1.333 283 S CA 0.054 58.310 58.200 0.094 0.000 1.052 283 S CB 1.107 64.342 63.200 0.059 0.000 0.884 283 S HN 1.063 nan 8.310 nan 0.000 0.506 284 A N 1.497 124.432 122.820 0.192 0.000 2.599 284 A HA 0.652 4.972 4.320 0.001 0.000 0.294 284 A C -0.491 177.189 177.584 0.160 0.000 1.055 284 A CA -0.598 51.523 52.037 0.141 0.000 0.683 284 A CB 1.144 20.207 19.000 0.105 0.000 1.278 284 A HN 1.082 nan 8.150 nan 0.000 0.412 285 S N 1.119 116.848 115.700 0.048 0.000 2.466 285 S HA 0.508 4.978 4.470 0.001 0.000 0.313 285 S C -0.552 174.071 174.600 0.039 0.000 1.078 285 S CA -0.400 57.851 58.200 0.086 0.000 1.115 285 S CB -0.539 62.711 63.200 0.084 0.000 1.006 285 S HN 1.252 nan 8.310 nan 0.000 0.487 286 L N 6.265 127.452 121.223 -0.060 0.000 2.326 286 L HA 0.517 4.857 4.340 0.001 0.000 0.278 286 L C -0.586 176.311 176.870 0.046 0.000 1.092 286 L CA 0.200 54.916 54.840 -0.207 0.000 0.810 286 L CB 0.707 42.277 42.059 -0.815 0.000 1.153 286 L HN 0.669 nan 8.230 nan 0.000 0.439 287 H N 5.976 124.912 119.070 -0.224 0.000 2.800 287 H HA 0.454 5.010 4.556 0.001 0.000 0.322 287 H C -1.381 173.805 175.328 -0.237 0.000 0.979 287 H CA -0.850 55.080 56.048 -0.196 0.000 1.277 287 H CB 1.914 31.595 29.762 -0.134 0.000 1.484 287 H HN 0.438 nan 8.280 nan 0.000 0.512 288 L N 6.717 127.748 121.223 -0.321 0.000 2.381 288 L HA 0.415 4.755 4.340 0.001 0.000 0.274 288 L C -2.541 174.122 176.870 -0.345 0.000 0.988 288 L CA -2.080 52.485 54.840 -0.458 0.000 0.824 288 L CB 1.943 43.537 42.059 -0.775 0.000 1.263 288 L HN 0.383 nan 8.230 nan 0.000 0.410 289 P HA 0.105 nan 4.420 nan 0.000 0.275 289 P C -1.237 175.998 177.300 -0.108 0.000 1.227 289 P CA -0.436 62.632 63.100 -0.054 0.000 0.781 289 P CB 0.944 32.720 31.700 0.126 0.000 0.906 290 K N 3.456 123.790 120.400 -0.110 0.000 2.270 290 K HA 0.447 4.767 4.320 0.001 0.000 0.276 290 K C -0.192 176.376 176.600 -0.054 0.000 1.023 290 K CA -0.489 55.748 56.287 -0.084 0.000 0.955 290 K CB 0.140 32.590 32.500 -0.083 0.000 0.975 290 K HN 0.543 nan 8.250 nan 0.000 0.471 291 L N -0.747 120.453 121.223 -0.039 0.000 2.582 291 L HA 0.474 4.814 4.340 0.001 0.000 0.257 291 L C -1.425 175.419 176.870 -0.044 0.000 0.974 291 L CA -0.869 53.943 54.840 -0.047 0.000 0.851 291 L CB 2.243 44.271 42.059 -0.052 0.000 1.424 291 L HN 0.426 nan 8.230 nan 0.000 0.412 292 S N 3.710 119.389 115.700 -0.035 0.000 2.653 292 S HA 0.695 5.165 4.470 0.001 0.000 0.272 292 S C -0.339 174.262 174.600 0.000 0.000 1.221 292 S CA -0.554 57.637 58.200 -0.015 0.000 1.149 292 S CB 0.697 63.898 63.200 0.001 0.000 1.029 292 S HN 0.647 nan 8.310 nan 0.000 0.481 293 I N 0.323 120.901 120.570 0.014 0.000 2.846 293 I HA 0.923 5.094 4.170 0.001 0.000 0.307 293 I C -0.177 175.997 176.117 0.094 0.000 1.053 293 I CA -0.737 60.593 61.300 0.049 0.000 1.050 293 I CB 2.437 40.478 38.000 0.067 0.000 1.239 293 I HN 0.479 nan 8.210 nan 0.000 0.439 294 T N 0.211 114.830 114.554 0.108 0.000 2.841 294 T HA 0.855 5.205 4.350 0.001 0.000 0.296 294 T C -0.462 174.325 174.700 0.145 0.000 1.166 294 T CA -0.686 61.496 62.100 0.135 0.000 1.007 294 T CB 1.653 70.576 68.868 0.093 0.000 1.253 294 T HN 1.206 nan 8.240 nan 0.000 0.511 295 G N 0.228 109.125 108.800 0.162 0.000 2.740 295 G HA2 0.586 4.546 3.960 0.001 0.000 0.296 295 G HA3 0.586 4.546 3.960 0.001 0.000 0.296 295 G C -1.248 173.640 174.900 -0.019 0.000 1.439 295 G CA -0.689 44.491 45.100 0.134 0.000 1.066 295 G HN 0.837 nan 8.290 nan 0.000 0.527 296 T N 1.461 115.774 114.554 -0.403 0.000 2.879 296 T HA 0.627 4.977 4.350 0.001 0.000 0.290 296 T C -1.421 172.960 174.700 -0.532 0.000 0.993 296 T CA -0.218 61.726 62.100 -0.261 0.000 0.975 296 T CB 0.961 69.742 68.868 -0.146 0.000 0.981 296 T HN 0.414 nan 8.240 nan 0.000 0.439 297 Y N 0.612 120.981 120.300 0.115 0.000 2.553 297 Y HA 0.438 4.989 4.550 0.001 0.000 0.347 297 Y C -0.155 175.791 175.900 0.077 0.000 1.019 297 Y CA -1.367 56.786 58.100 0.088 0.000 1.032 297 Y CB 1.389 39.905 38.460 0.093 0.000 1.284 297 Y HN 0.463 nan 8.280 nan 0.000 0.466 298 D N 2.619 123.124 120.400 0.175 0.000 2.441 298 D HA 0.162 4.803 4.640 0.001 0.000 0.221 298 D C 0.597 176.923 176.300 0.043 0.000 1.156 298 D CA 0.193 54.239 54.000 0.078 0.000 0.896 298 D CB 0.710 41.515 40.800 0.008 0.000 1.028 298 D HN 0.679 nan 8.370 nan 0.000 0.509 299 L N 3.248 124.522 121.223 0.085 0.000 2.191 299 L HA -0.145 4.195 4.340 0.001 0.000 0.212 299 L C 2.410 179.180 176.870 -0.166 0.000 1.103 299 L CA 0.846 55.704 54.840 0.029 0.000 0.769 299 L CB -0.235 41.947 42.059 0.205 0.000 0.908 299 L HN 0.377 nan 8.230 nan 0.000 0.438 300 K N -0.116 120.062 120.400 -0.370 0.000 2.057 300 K HA -0.194 4.127 4.320 0.001 0.000 0.206 300 K C 2.412 178.661 176.600 -0.584 0.000 1.050 300 K CA 1.624 57.282 56.287 -1.049 0.000 0.935 300 K CB -0.030 31.915 32.500 -0.926 0.000 0.715 300 K HN 0.113 nan 8.250 nan 0.000 0.439 301 S N -0.269 115.249 115.700 -0.303 0.000 2.371 301 S HA -0.069 4.402 4.470 0.001 0.000 0.224 301 S C 1.879 176.388 174.600 -0.152 0.000 1.029 301 S CA 1.133 59.221 58.200 -0.186 0.000 0.978 301 S CB -0.118 63.017 63.200 -0.108 0.000 0.833 301 S HN 0.205 nan 8.310 nan 0.000 0.466 302 V N 2.144 121.972 119.914 -0.144 0.000 2.283 302 V HA -0.037 4.083 4.120 0.001 0.000 0.243 302 V C 2.436 178.432 176.094 -0.163 0.000 1.039 302 V CA 1.700 63.906 62.300 -0.157 0.000 1.016 302 V CB -0.740 30.971 31.823 -0.188 0.000 0.650 302 V HN 0.462 nan 8.190 nan 0.000 0.449 303 L N 0.631 121.757 121.223 -0.161 0.000 2.131 303 L HA -0.065 4.276 4.340 0.001 0.000 0.210 303 L C 2.612 179.459 176.870 -0.038 0.000 1.092 303 L CA 1.497 56.270 54.840 -0.110 0.000 0.759 303 L CB -1.153 40.813 42.059 -0.155 0.000 0.903 303 L HN 0.488 nan 8.230 nan 0.000 0.435 304 G N -0.437 108.321 108.800 -0.070 0.000 2.422 304 G HA2 -0.249 3.712 3.960 0.001 0.000 0.218 304 G HA3 -0.249 3.712 3.960 0.001 0.000 0.218 304 G C 1.484 176.367 174.900 -0.029 0.000 1.146 304 G CA 0.326 45.409 45.100 -0.028 0.000 0.769 304 G HN 0.446 nan 8.290 nan 0.000 0.547 305 Q N -0.401 119.362 119.800 -0.061 0.000 2.369 305 Q HA 0.204 4.544 4.340 0.001 0.000 0.206 305 Q C 1.922 177.894 176.000 -0.047 0.000 0.963 305 Q CA 0.244 56.014 55.803 -0.055 0.000 0.894 305 Q CB 0.002 28.694 28.738 -0.076 0.000 0.965 305 Q HN 0.434 nan 8.270 nan 0.000 0.475 306 L N -0.704 120.493 121.223 -0.045 0.000 2.629 306 L HA 0.219 4.559 4.340 0.001 0.000 0.230 306 L C 1.017 177.889 176.870 0.003 0.000 1.151 306 L CA 0.349 55.174 54.840 -0.025 0.000 0.924 306 L CB 0.142 42.191 42.059 -0.017 0.000 1.137 306 L HN 0.400 nan 8.230 nan 0.000 0.457 307 G N 0.677 109.482 108.800 0.009 0.000 2.213 307 G HA2 -0.261 3.699 3.960 0.001 0.000 0.236 307 G HA3 -0.261 3.699 3.960 0.001 0.000 0.236 307 G C 0.319 175.244 174.900 0.041 0.000 0.991 307 G CA -0.390 44.724 45.100 0.023 0.000 0.629 307 G HN 0.260 nan 8.290 nan 0.000 0.517 308 I N 3.145 123.748 120.570 0.054 0.000 2.260 308 I HA 0.311 4.482 4.170 0.001 0.000 0.297 308 I C 1.613 177.860 176.117 0.217 0.000 1.143 308 I CA 0.721 62.076 61.300 0.090 0.000 1.271 308 I CB 0.603 38.636 38.000 0.055 0.000 1.461 308 I HN 0.303 nan 8.210 nan 0.000 0.530 309 T N -0.006 114.653 114.554 0.175 0.000 2.964 309 T HA 0.131 4.482 4.350 0.001 0.000 0.250 309 T C 1.563 176.384 174.700 0.201 0.000 0.982 309 T CA -0.248 61.999 62.100 0.246 0.000 0.959 309 T CB 0.149 69.096 68.868 0.131 0.000 1.141 309 T HN 0.309 nan 8.240 nan 0.000 0.494 310 K N 1.059 121.516 120.400 0.095 0.000 2.057 310 K HA 0.038 4.358 4.320 0.001 0.000 0.207 310 K C 2.163 178.767 176.600 0.007 0.000 1.049 310 K CA 1.307 57.624 56.287 0.051 0.000 0.931 310 K CB -0.568 31.948 32.500 0.027 0.000 0.714 310 K HN 0.199 nan 8.250 nan 0.000 0.440 311 V N 0.843 120.701 119.914 -0.093 0.000 3.026 311 V HA -0.173 3.947 4.120 0.001 0.000 0.265 311 V C 0.885 176.814 176.094 -0.275 0.000 1.121 311 V CA 1.548 63.715 62.300 -0.223 0.000 1.142 311 V CB -0.372 31.237 31.823 -0.357 0.000 0.730 311 V HN 0.179 nan 8.190 nan 0.000 0.503 312 F N 0.171 120.153 119.950 0.054 0.000 2.695 312 F HA 0.335 4.863 4.527 0.001 0.000 0.303 312 F C 1.443 177.257 175.800 0.024 0.000 1.091 312 F CA 0.299 58.322 58.000 0.038 0.000 1.300 312 F CB -0.214 38.807 39.000 0.034 0.000 1.071 312 F HN 0.247 nan 8.300 nan 0.000 0.578 313 S N -0.601 115.197 115.700 0.163 0.000 2.713 313 S HA 0.244 4.715 4.470 0.001 0.000 0.283 313 S C 1.094 175.733 174.600 0.065 0.000 1.161 313 S CA -0.724 57.538 58.200 0.103 0.000 0.999 313 S CB 0.923 64.170 63.200 0.079 0.000 1.039 313 S HN 0.098 nan 8.310 nan 0.000 0.548 314 N N 0.978 119.707 118.700 0.048 0.000 2.289 314 N HA -0.024 4.717 4.740 0.001 0.000 0.184 314 N C 1.362 176.886 175.510 0.022 0.000 1.016 314 N CA 1.300 54.369 53.050 0.032 0.000 0.872 314 N CB -0.623 37.879 38.487 0.025 0.000 0.973 314 N HN 0.872 nan 8.380 nan 0.000 0.433 315 G N -0.237 108.577 108.800 0.023 0.000 3.440 315 G HA2 0.382 4.342 3.960 0.001 0.000 0.263 315 G HA3 0.382 4.342 3.960 0.001 0.000 0.263 315 G C 0.177 175.082 174.900 0.009 0.000 1.236 315 G CA -0.169 44.940 45.100 0.014 0.000 0.927 315 G HN 0.293 nan 8.290 nan 0.000 0.530 316 A N 0.413 123.239 122.820 0.009 0.000 2.440 316 A HA 0.420 4.740 4.320 0.001 0.000 0.251 316 A C -0.208 177.365 177.584 -0.019 0.000 1.089 316 A CA -0.256 51.778 52.037 -0.004 0.000 0.779 316 A CB 0.524 19.522 19.000 -0.004 0.000 1.022 316 A HN 0.171 nan 8.150 nan 0.000 0.492 317 D N 2.844 123.228 120.400 -0.026 0.000 2.467 317 D HA 0.374 5.015 4.640 0.001 0.000 0.220 317 D C -0.382 175.879 176.300 -0.066 0.000 1.103 317 D CA 0.006 53.982 54.000 -0.039 0.000 0.886 317 D CB 0.435 41.219 40.800 -0.027 0.000 1.025 317 D HN 0.441 nan 8.370 nan 0.000 0.514 318 L N 3.006 124.171 121.223 -0.097 0.000 3.209 318 L HA 0.059 4.400 4.340 0.001 0.000 0.279 318 L C 1.859 178.605 176.870 -0.207 0.000 1.301 318 L CA -0.147 54.592 54.840 -0.168 0.000 1.004 318 L CB 0.390 42.342 42.059 -0.178 0.000 1.402 318 L HN 0.255 nan 8.230 nan 0.000 0.577 319 S N -1.455 114.156 115.700 -0.147 0.000 2.500 319 S HA -0.105 4.366 4.470 0.001 0.000 0.239 319 S C 1.854 176.355 174.600 -0.165 0.000 0.989 319 S CA 0.954 59.073 58.200 -0.135 0.000 0.951 319 S CB -0.252 62.894 63.200 -0.091 0.000 0.759 319 S HN 0.504 nan 8.310 nan 0.000 0.523 320 G N 0.702 109.375 108.800 -0.211 0.000 2.572 320 G HA2 0.104 4.065 3.960 0.001 0.000 0.216 320 G HA3 0.104 4.065 3.960 0.001 0.000 0.216 320 G C 1.177 175.841 174.900 -0.393 0.000 1.133 320 G CA 0.674 45.637 45.100 -0.228 0.000 0.791 320 G HN 0.512 nan 8.290 nan 0.000 0.538 321 V N -0.751 118.834 119.914 -0.548 0.000 2.795 321 V HA 0.239 4.359 4.120 0.001 0.000 0.243 321 V C 1.065 176.956 176.094 -0.337 0.000 1.069 321 V CA 1.474 63.344 62.300 -0.718 0.000 1.089 321 V CB 0.620 31.901 31.823 -0.903 0.000 0.756 321 V HN 0.296 nan 8.190 nan 0.000 0.471 322 T N -1.051 113.346 114.554 -0.261 0.000 2.932 322 T HA 0.376 4.727 4.350 0.001 0.000 0.318 322 T C -0.329 174.297 174.700 -0.123 0.000 1.265 322 T CA -0.381 61.623 62.100 -0.161 0.000 1.036 322 T CB 2.279 71.056 68.868 -0.151 0.000 1.209 322 T HN 0.309 nan 8.240 nan 0.000 0.484 323 E N 1.353 121.502 120.200 -0.085 0.000 2.514 323 E HA 0.127 4.477 4.350 0.001 0.000 0.215 323 E C 1.437 178.007 176.600 -0.051 0.000 0.946 323 E CA -0.155 56.205 56.400 -0.066 0.000 1.038 323 E CB 0.614 30.281 29.700 -0.055 0.000 1.069 323 E HN 0.783 nan 8.360 nan 0.000 0.503 324 E N 1.402 121.573 120.200 -0.048 0.000 2.038 324 E HA -0.121 4.229 4.350 0.001 0.000 0.195 324 E C 0.356 176.938 176.600 -0.030 0.000 1.000 324 E CA 1.201 57.580 56.400 -0.034 0.000 0.803 324 E CB 0.188 29.870 29.700 -0.030 0.000 0.750 324 E HN 0.143 nan 8.360 nan 0.000 0.448 325 A N -0.045 122.754 122.820 -0.036 0.000 2.602 325 A HA 0.562 4.883 4.320 0.001 0.000 0.290 325 A C -2.670 174.893 177.584 -0.035 0.000 1.114 325 A CA -1.317 50.703 52.037 -0.028 0.000 0.683 325 A CB 0.806 19.797 19.000 -0.015 0.000 1.281 325 A HN 0.026 nan 8.150 nan 0.000 0.416 326 P HA 0.412 nan 4.420 nan 0.000 0.269 326 P C -1.086 176.198 177.300 -0.027 0.000 1.211 326 P CA 0.250 63.334 63.100 -0.026 0.000 0.781 326 P CB 0.302 31.994 31.700 -0.012 0.000 0.877 327 L N 0.881 122.086 121.223 -0.029 0.000 2.591 327 L HA 0.556 4.896 4.340 0.001 0.000 0.257 327 L C -1.447 175.431 176.870 0.013 0.000 0.935 327 L CA -0.440 54.389 54.840 -0.019 0.000 0.873 327 L CB 1.671 43.679 42.059 -0.085 0.000 1.397 327 L HN 0.526 nan 8.230 nan 0.000 0.414 328 K N 3.191 123.636 120.400 0.074 0.000 2.512 328 K HA 0.678 4.998 4.320 0.001 0.000 0.263 328 K C -1.647 175.063 176.600 0.183 0.000 0.966 328 K CA -1.037 55.306 56.287 0.094 0.000 0.851 328 K CB 1.960 34.502 32.500 0.070 0.000 1.395 328 K HN 0.470 nan 8.250 nan 0.000 0.440 329 L N 2.488 123.778 121.223 0.112 0.000 2.369 329 L HA 0.192 4.532 4.340 0.001 0.000 0.279 329 L C 0.388 177.338 176.870 0.133 0.000 1.108 329 L CA 0.720 55.563 54.840 0.006 0.000 0.852 329 L CB 0.781 42.696 42.059 -0.240 0.000 1.169 329 L HN 0.867 nan 8.230 nan 0.000 0.452 330 S N 2.877 118.601 115.700 0.039 0.000 2.421 330 S HA 0.089 4.560 4.470 0.001 0.000 0.224 330 S C 0.355 174.968 174.600 0.021 0.000 1.035 330 S CA 0.528 58.742 58.200 0.022 0.000 0.953 330 S CB 0.025 63.172 63.200 -0.088 0.000 0.810 330 S HN 0.571 nan 8.310 nan 0.000 0.497 331 K N 0.524 120.922 120.400 -0.004 0.000 2.498 331 K HA 0.678 4.999 4.320 0.001 0.000 0.254 331 K C -1.987 174.654 176.600 0.068 0.000 0.933 331 K CA -0.440 55.861 56.287 0.024 0.000 0.806 331 K CB 1.935 34.434 32.500 -0.001 0.000 1.301 331 K HN 0.018 nan 8.250 nan 0.000 0.432 332 A N 2.743 125.644 122.820 0.135 0.000 2.442 332 A HA 0.597 4.918 4.320 0.001 0.000 0.284 332 A C -1.451 176.262 177.584 0.216 0.000 1.058 332 A CA -0.374 51.795 52.037 0.219 0.000 0.738 332 A CB 0.950 20.235 19.000 0.475 0.000 1.242 332 A HN 0.977 nan 8.150 nan 0.000 0.421 333 V N 0.553 120.606 119.914 0.232 0.000 2.709 333 V HA 0.867 4.987 4.120 0.001 0.000 0.308 333 V C -0.827 175.467 176.094 0.334 0.000 1.062 333 V CA -0.652 61.795 62.300 0.245 0.000 0.901 333 V CB 1.497 33.428 31.823 0.180 0.000 1.003 333 V HN 1.143 nan 8.190 nan 0.000 0.425 334 H N 3.009 122.237 119.070 0.262 0.000 2.495 334 H HA 0.826 5.383 4.556 0.001 0.000 0.348 334 H C -0.734 174.787 175.328 0.322 0.000 1.113 334 H CA -0.509 55.718 56.048 0.299 0.000 1.195 334 H CB 2.002 31.948 29.762 0.307 0.000 1.521 334 H HN 0.948 nan 8.280 nan 0.000 0.509 335 K N 3.568 123.777 120.400 -0.317 0.000 2.541 335 K HA 0.737 5.058 4.320 0.001 0.000 0.250 335 K C -1.906 174.560 176.600 -0.223 0.000 0.950 335 K CA -0.474 55.711 56.287 -0.171 0.000 0.805 335 K CB 1.318 33.858 32.500 0.065 0.000 1.166 335 K HN 0.683 nan 8.250 nan 0.000 0.430 336 A N 3.021 125.810 122.820 -0.052 0.000 2.350 336 A HA 0.803 5.124 4.320 0.001 0.000 0.324 336 A C -1.293 176.495 177.584 0.340 0.000 1.118 336 A CA -0.713 51.480 52.037 0.261 0.000 0.783 336 A CB 1.553 20.852 19.000 0.498 0.000 1.236 336 A HN 0.437 nan 8.150 nan 0.000 0.457 337 V N 3.560 123.727 119.914 0.420 0.000 2.623 337 V HA 0.516 4.637 4.120 0.001 0.000 0.304 337 V C -1.059 175.101 176.094 0.111 0.000 1.054 337 V CA -0.536 61.944 62.300 0.299 0.000 0.882 337 V CB 1.610 33.685 31.823 0.421 0.000 1.002 337 V HN 0.839 nan 8.190 nan 0.000 0.424 338 L N 4.481 125.677 121.223 -0.046 0.000 2.410 338 L HA 0.788 5.128 4.340 0.001 0.000 0.270 338 L C -0.733 176.007 176.870 -0.216 0.000 0.983 338 L CA 0.174 54.843 54.840 -0.285 0.000 0.822 338 L CB 2.307 44.130 42.059 -0.392 0.000 1.285 338 L HN 0.713 nan 8.230 nan 0.000 0.409 339 T N 6.293 120.646 114.554 -0.335 0.000 2.841 339 T HA 0.663 5.014 4.350 0.001 0.000 0.283 339 T C -0.329 174.223 174.700 -0.246 0.000 1.000 339 T CA -0.261 61.706 62.100 -0.222 0.000 0.977 339 T CB 1.715 70.480 68.868 -0.172 0.000 0.979 339 T HN 0.472 nan 8.240 nan 0.000 0.446 340 I N 3.788 124.291 120.570 -0.111 0.000 2.499 340 I HA 0.439 4.609 4.170 0.001 0.000 0.288 340 I C -0.920 175.220 176.117 0.038 0.000 1.048 340 I CA -0.662 60.629 61.300 -0.016 0.000 1.062 340 I CB 1.890 39.965 38.000 0.126 0.000 1.238 340 I HN 0.740 nan 8.210 nan 0.000 0.426 341 D N 3.125 123.579 120.400 0.090 0.000 2.867 341 D HA 0.257 4.897 4.640 0.001 0.000 0.308 341 D C 0.227 176.703 176.300 0.293 0.000 1.202 341 D CA -0.529 53.535 54.000 0.108 0.000 1.035 341 D CB 0.609 41.429 40.800 0.034 0.000 1.427 341 D HN 0.281 nan 8.370 nan 0.000 0.570 342 E N -0.264 120.065 120.200 0.214 0.000 2.274 342 E HA 0.030 4.381 4.350 0.001 0.000 0.194 342 E C -0.078 176.755 176.600 0.388 0.000 0.996 342 E CA 0.601 57.214 56.400 0.354 0.000 0.840 342 E CB -0.244 29.579 29.700 0.205 0.000 0.772 342 E HN 0.264 nan 8.360 nan 0.000 0.491 343 K N 0.646 121.181 120.400 0.224 0.000 2.511 343 K HA 0.234 4.554 4.320 0.001 0.000 0.280 343 K C 0.418 177.122 176.600 0.174 0.000 1.008 343 K CA 0.572 56.949 56.287 0.150 0.000 1.050 343 K CB 0.595 33.129 32.500 0.056 0.000 0.889 343 K HN 0.175 nan 8.250 nan 0.000 0.484 344 G N 1.562 110.453 108.800 0.151 0.000 2.793 344 G HA2 0.186 4.147 3.960 0.001 0.000 0.248 344 G HA3 0.186 4.147 3.960 0.001 0.000 0.248 344 G C -0.774 174.208 174.900 0.136 0.000 1.198 344 G CA -0.637 44.553 45.100 0.151 0.000 0.865 344 G HN 0.494 nan 8.290 nan 0.000 0.534 345 T N 1.110 115.759 114.554 0.158 0.000 2.734 345 T HA 0.347 4.697 4.350 0.001 0.000 0.314 345 T C -0.276 174.616 174.700 0.320 0.000 1.057 345 T CA 0.400 62.647 62.100 0.245 0.000 1.047 345 T CB 0.563 69.637 68.868 0.343 0.000 0.991 345 T HN 0.382 nan 8.240 nan 0.000 0.540 346 E N 0.553 120.900 120.200 0.246 0.000 2.092 346 E HA 0.539 4.889 4.350 0.001 0.000 0.271 346 E C -0.342 176.300 176.600 0.070 0.000 0.919 346 E CA -0.596 55.907 56.400 0.172 0.000 0.760 346 E CB 1.248 31.005 29.700 0.094 0.000 1.106 346 E HN 0.672 nan 8.360 nan 0.000 0.408 347 A N 2.501 125.317 122.820 -0.006 0.000 2.317 347 A HA 0.340 4.660 4.320 0.001 0.000 0.225 347 A C 0.217 177.588 177.584 -0.354 0.000 2.493 347 A CA -0.362 51.473 52.037 -0.338 0.000 1.840 347 A CB -0.321 18.223 19.000 -0.760 0.000 0.584 347 A HN 0.575 nan 8.150 nan 0.000 0.821 348 A N 0.504 123.311 122.820 -0.023 0.000 2.888 348 A HA 0.482 4.802 4.320 0.001 0.000 0.290 348 A C 1.138 178.708 177.584 -0.023 0.000 1.736 348 A CA 1.621 53.696 52.037 0.063 0.000 1.244 348 A CB -1.056 17.992 19.000 0.081 0.000 0.973 348 A HN 2.269 nan 8.150 nan 0.000 0.595 349 G N -0.416 108.343 108.800 -0.068 0.000 2.393 349 G HA2 0.519 4.479 3.960 0.001 0.000 0.264 349 G HA3 0.519 4.479 3.960 0.001 0.000 0.264 349 G C 0.643 175.496 174.900 -0.078 0.000 1.221 349 G CA -0.100 44.958 45.100 -0.071 0.000 0.912 349 G HN 1.132 nan 8.290 nan 0.000 0.483 350 A N -0.611 122.161 122.820 -0.080 0.000 2.168 350 A HA 0.213 4.533 4.320 0.001 0.000 0.215 350 A C 2.333 179.858 177.584 -0.098 0.000 1.152 350 A CA 2.143 54.144 52.037 -0.060 0.000 0.716 350 A CB -0.565 18.407 19.000 -0.047 0.000 0.794 350 A HN 0.506 nan 8.150 nan 0.000 0.465 351 M N -1.174 118.295 119.600 -0.218 0.000 2.149 351 M HA -0.071 4.409 4.480 0.001 0.000 0.261 351 M C 0.979 177.162 176.300 -0.195 0.000 1.064 351 M CA 1.472 56.595 55.300 -0.295 0.000 1.102 351 M CB -0.719 31.554 32.600 -0.545 0.000 1.369 351 M HN 0.473 nan 8.290 nan 0.000 0.408 352 F N -0.731 119.196 119.950 -0.039 0.000 2.676 352 F HA 0.181 4.708 4.527 0.000 0.000 0.300 352 F C 0.097 175.854 175.800 -0.073 0.000 1.160 352 F CA -0.830 57.133 58.000 -0.062 0.000 1.401 352 F CB 0.037 38.998 39.000 -0.064 0.000 1.037 352 F HN -0.063 nan 8.300 nan 0.000 0.522 353 L N 1.692 122.962 121.223 0.077 0.000 2.261 353 L HA 0.216 4.557 4.340 0.001 0.000 0.289 353 L C 0.100 176.972 176.870 0.003 0.000 1.059 353 L CA -0.169 54.688 54.840 0.027 0.000 0.816 353 L CB 0.275 42.337 42.059 0.005 0.000 1.191 353 L HN 0.097 nan 8.230 nan 0.000 0.431 354 E N 2.416 122.604 120.200 -0.020 0.000 2.250 354 E HA 0.637 4.987 4.350 0.001 0.000 0.269 354 E C -0.535 176.044 176.600 -0.035 0.000 1.018 354 E CA -0.975 55.399 56.400 -0.043 0.000 0.873 354 E CB 1.187 30.829 29.700 -0.096 0.000 1.134 354 E HN 0.651 nan 8.360 nan 0.000 0.403 355 A N 3.005 125.806 122.820 -0.031 0.000 2.350 355 A HA 0.365 4.686 4.320 0.001 0.000 0.293 355 A C -0.333 177.238 177.584 -0.022 0.000 1.231 355 A CA -0.180 51.844 52.037 -0.021 0.000 0.883 355 A CB -0.430 18.561 19.000 -0.015 0.000 1.133 355 A HN 0.484 nan 8.150 nan 0.000 0.533 356 I N 3.656 124.217 120.570 -0.015 0.000 2.474 356 I HA 0.339 4.510 4.170 0.001 0.000 0.294 356 I C -2.168 173.950 176.117 0.002 0.000 1.005 356 I CA -2.134 59.161 61.300 -0.009 0.000 1.113 356 I CB 1.853 39.848 38.000 -0.009 0.000 1.289 356 I HN 0.433 nan 8.210 nan 0.000 0.436 357 P HA 0.223 nan 4.420 nan 0.000 0.269 357 P C -0.168 177.139 177.300 0.013 0.000 1.215 357 P CA -0.361 62.746 63.100 0.012 0.000 0.780 357 P CB 0.555 32.266 31.700 0.019 0.000 0.898 358 R N 0.321 120.828 120.500 0.012 0.000 2.568 358 R HA 0.144 4.485 4.340 0.001 0.000 0.288 358 R C 0.639 176.947 176.300 0.013 0.000 1.077 358 R CA -0.090 56.017 56.100 0.011 0.000 1.102 358 R CB -0.071 30.234 30.300 0.008 0.000 1.278 358 R HN 0.599 nan 8.270 nan 0.000 0.560 359 S N -0.377 115.333 115.700 0.016 0.000 2.661 359 S HA 0.306 4.777 4.470 0.001 0.000 0.265 359 S C 0.559 175.169 174.600 0.017 0.000 1.225 359 S CA -0.784 57.426 58.200 0.016 0.000 0.986 359 S CB 1.040 64.252 63.200 0.019 0.000 1.008 359 S HN -0.044 nan 8.310 nan 0.000 0.565 360 I N 3.164 123.743 120.570 0.015 0.000 2.471 360 I HA 0.278 4.448 4.170 0.001 0.000 0.286 360 I C -1.725 174.403 176.117 0.018 0.000 1.079 360 I CA -1.823 59.485 61.300 0.014 0.000 1.398 360 I CB 0.068 38.072 38.000 0.007 0.000 1.403 360 I HN 0.602 nan 8.210 nan 0.000 0.530 361 P HA 0.345 nan 4.420 nan 0.000 0.282 361 P C -2.648 174.655 177.300 0.006 0.000 1.249 361 P CA -1.499 61.617 63.100 0.028 0.000 0.806 361 P CB 0.346 32.071 31.700 0.041 0.000 0.984 362 P HA 0.096 nan 4.420 nan 0.000 0.268 362 P C -0.356 176.865 177.300 -0.132 0.000 1.205 362 P CA 0.217 63.284 63.100 -0.055 0.000 0.771 362 P CB 0.866 32.554 31.700 -0.019 0.000 0.858 363 E N 2.153 122.237 120.200 -0.193 0.000 2.042 363 E HA 0.277 4.627 4.350 0.001 0.000 0.260 363 E C -0.914 175.434 176.600 -0.420 0.000 0.975 363 E CA -0.667 55.576 56.400 -0.263 0.000 0.799 363 E CB 0.403 29.952 29.700 -0.252 0.000 1.131 363 E HN 0.143 nan 8.360 nan 0.000 0.423 364 V N 5.557 125.184 119.914 -0.478 0.000 2.368 364 V HA 0.206 4.326 4.120 0.001 0.000 0.266 364 V C -0.009 175.800 176.094 -0.475 0.000 1.045 364 V CA -0.366 61.532 62.300 -0.670 0.000 0.899 364 V CB 0.781 32.101 31.823 -0.838 0.000 1.006 364 V HN 0.523 nan 8.190 nan 0.000 0.470 365 K N 4.664 124.762 120.400 -0.503 0.000 2.235 365 K HA 0.512 4.832 4.320 0.001 0.000 0.266 365 K C -0.927 175.448 176.600 -0.375 0.000 0.980 365 K CA -0.458 55.630 56.287 -0.333 0.000 0.849 365 K CB 1.496 33.796 32.500 -0.334 0.000 1.098 365 K HN 0.437 nan 8.250 nan 0.000 0.445 366 F N 3.594 123.370 119.950 -0.291 0.000 2.573 366 F HA 0.104 4.631 4.527 0.001 0.000 0.349 366 F C 0.678 176.432 175.800 -0.076 0.000 1.213 366 F CA -0.701 57.126 58.000 -0.289 0.000 1.300 366 F CB -0.157 38.480 39.000 -0.606 0.000 1.661 366 F HN 0.490 nan 8.300 nan 0.000 0.616 367 N N 1.237 119.833 118.700 -0.172 0.000 2.338 367 N HA 0.131 4.871 4.740 0.001 0.000 0.251 367 N C -0.637 174.291 175.510 -0.970 0.000 1.199 367 N CA -0.427 52.364 53.050 -0.431 0.000 0.879 367 N CB 0.170 38.571 38.487 -0.144 0.000 1.159 367 N HN 0.503 nan 8.380 nan 0.000 0.514 368 K N -2.276 117.646 120.400 -0.798 0.000 2.578 368 K HA 0.561 4.881 4.320 0.001 0.000 0.287 368 K C -3.393 173.252 176.600 0.075 0.000 1.010 368 K CA -1.932 54.048 56.287 -0.512 0.000 0.889 368 K CB 0.705 33.099 32.500 -0.176 0.000 1.514 368 K HN -0.301 nan 8.250 nan 0.000 0.424 369 P HA -0.061 nan 4.420 nan 0.000 0.261 369 P C -1.224 176.339 177.300 0.437 0.000 1.165 369 P CA 0.452 63.762 63.100 0.349 0.000 0.759 369 P CB -0.056 31.792 31.700 0.246 0.000 0.772 370 F N 0.915 121.108 119.950 0.406 0.000 2.662 370 F HA 0.739 5.267 4.527 0.000 0.000 0.312 370 F C -1.541 174.565 175.800 0.510 0.000 1.113 370 F CA -1.429 56.833 58.000 0.437 0.000 0.951 370 F CB 0.695 40.008 39.000 0.522 0.000 1.344 370 F HN -0.021 nan 8.300 nan 0.000 0.462 371 V N 2.041 122.422 119.914 0.779 0.000 2.769 371 V HA 0.778 4.898 4.120 0.001 0.000 0.312 371 V C -0.718 175.876 176.094 0.834 0.000 1.058 371 V CA -0.692 61.963 62.300 0.592 0.000 0.952 371 V CB 1.645 33.641 31.823 0.288 0.000 1.019 371 V HN 0.905 nan 8.190 nan 0.000 0.445 372 F N 2.345 122.516 119.950 0.369 0.000 2.741 372 F HA 0.928 5.455 4.527 0.001 0.000 0.313 372 F C -1.785 174.061 175.800 0.077 0.000 1.153 372 F CA -1.359 56.756 58.000 0.191 0.000 0.931 372 F CB 1.369 40.382 39.000 0.022 0.000 1.335 372 F HN 0.307 nan 8.300 nan 0.000 0.460 373 L N 1.865 123.111 121.223 0.038 0.000 2.469 373 L HA 0.632 4.972 4.340 0.001 0.000 0.256 373 L C -1.227 175.712 176.870 0.116 0.000 1.006 373 L CA -0.460 54.371 54.840 -0.014 0.000 0.832 373 L CB 2.536 44.625 42.059 0.050 0.000 1.421 373 L HN 0.686 nan 8.230 nan 0.000 0.410 374 I N 3.176 123.840 120.570 0.156 0.000 2.410 374 I HA 0.423 4.593 4.170 0.001 0.000 0.286 374 I C -1.023 175.164 176.117 0.116 0.000 1.009 374 I CA -0.558 60.860 61.300 0.195 0.000 1.111 374 I CB 1.625 39.787 38.000 0.270 0.000 1.262 374 I HN 0.253 nan 8.210 nan 0.000 0.443 375 I N 5.535 126.173 120.570 0.114 0.000 2.377 375 I HA 0.279 4.450 4.170 0.001 0.000 0.293 375 I C 0.498 176.662 176.117 0.078 0.000 0.987 375 I CA -0.617 60.736 61.300 0.089 0.000 1.185 375 I CB 1.491 39.561 38.000 0.117 0.000 1.341 375 I HN 0.540 nan 8.210 nan 0.000 0.455 376 E N 4.328 124.555 120.200 0.045 0.000 2.376 376 E HA -0.049 4.301 4.350 0.001 0.000 0.266 376 E C 0.620 177.268 176.600 0.079 0.000 1.009 376 E CA 0.099 56.522 56.400 0.037 0.000 0.902 376 E CB 1.166 30.875 29.700 0.014 0.000 0.972 376 E HN 0.479 nan 8.360 nan 0.000 0.439 377 Q N 3.805 123.656 119.800 0.084 0.000 2.061 377 Q HA -0.170 4.171 4.340 0.001 0.000 0.204 377 Q C 1.252 177.310 176.000 0.096 0.000 0.984 377 Q CA 2.016 57.877 55.803 0.097 0.000 0.846 377 Q CB 0.117 28.912 28.738 0.095 0.000 0.902 377 Q HN 0.519 nan 8.270 nan 0.000 0.421 378 N N -1.289 117.461 118.700 0.085 0.000 2.251 378 N HA -0.072 4.669 4.740 0.001 0.000 0.181 378 N C 1.669 177.255 175.510 0.126 0.000 1.019 378 N CA 1.818 54.920 53.050 0.087 0.000 0.862 378 N CB -0.386 38.142 38.487 0.067 0.000 0.992 378 N HN 0.498 nan 8.380 nan 0.000 0.429 379 T N -2.042 112.588 114.554 0.126 0.000 3.057 379 T HA 0.194 4.545 4.350 0.001 0.000 0.254 379 T C 0.638 175.474 174.700 0.228 0.000 1.094 379 T CA 0.175 62.375 62.100 0.167 0.000 1.088 379 T CB 0.262 69.169 68.868 0.066 0.000 0.934 379 T HN -0.126 nan 8.240 nan 0.000 0.497 380 K N 0.300 120.814 120.400 0.190 0.000 3.274 380 K HA -0.091 4.230 4.320 0.001 0.000 0.300 380 K C 0.331 176.984 176.600 0.089 0.000 1.230 380 K CA 0.715 57.124 56.287 0.203 0.000 0.884 380 K CB -2.403 30.346 32.500 0.415 0.000 1.242 380 K HN 0.845 nan 8.250 nan 0.000 0.467 381 A N 1.238 124.068 122.820 0.016 0.000 2.407 381 A HA 0.408 4.728 4.320 0.001 0.000 0.248 381 A C -2.012 175.557 177.584 -0.026 0.000 1.082 381 A CA -0.768 51.240 52.037 -0.048 0.000 0.785 381 A CB 0.067 19.036 19.000 -0.051 0.000 1.020 381 A HN 0.069 nan 8.150 nan 0.000 0.489 382 P HA 0.189 nan 4.420 nan 0.000 0.266 382 P C 0.494 177.740 177.300 -0.090 0.000 1.586 382 P CA -0.086 62.977 63.100 -0.061 0.000 1.088 382 P CB 0.478 32.111 31.700 -0.112 0.000 1.584 383 L N 2.241 123.415 121.223 -0.082 0.000 2.093 383 L HA -0.002 4.338 4.340 0.001 0.000 0.208 383 L C 0.687 177.331 176.870 -0.378 0.000 1.085 383 L CA 1.660 56.383 54.840 -0.196 0.000 0.755 383 L CB -0.381 41.590 42.059 -0.145 0.000 0.904 383 L HN 0.214 nan 8.230 nan 0.000 0.435 384 F N -1.669 118.197 119.950 -0.139 0.000 2.613 384 F HA 0.555 5.083 4.527 0.001 0.000 0.310 384 F C -0.254 175.316 175.800 -0.383 0.000 1.085 384 F CA -0.664 57.215 58.000 -0.202 0.000 0.945 384 F CB 2.011 40.996 39.000 -0.025 0.000 1.298 384 F HN -0.313 nan 8.300 nan 0.000 0.455 385 M N 1.957 121.284 119.600 -0.455 0.000 2.322 385 M HA 0.776 5.256 4.480 0.001 0.000 0.286 385 M C -1.197 174.667 176.300 -0.726 0.000 1.111 385 M CA 0.000 54.893 55.300 -0.679 0.000 0.941 385 M CB 2.203 34.384 32.600 -0.698 0.000 1.671 385 M HN 0.752 nan 8.290 nan 0.000 0.470 386 G N 2.746 111.005 108.800 -0.902 0.000 2.645 386 G HA2 0.692 4.652 3.960 0.001 0.000 0.292 386 G HA3 0.692 4.652 3.960 0.001 0.000 0.292 386 G C -2.378 172.462 174.900 -0.099 0.000 1.415 386 G CA -0.912 43.937 45.100 -0.418 0.000 0.785 386 G HN 0.797 nan 8.290 nan 0.000 0.483 387 R N -0.450 120.232 120.500 0.302 0.000 2.574 387 R HA 0.614 4.955 4.340 0.001 0.000 0.288 387 R C -1.770 174.664 176.300 0.223 0.000 1.004 387 R CA -0.523 55.778 56.100 0.335 0.000 0.895 387 R CB 2.312 32.836 30.300 0.372 0.000 1.191 387 R HN 0.381 nan 8.270 nan 0.000 0.444 388 V N 5.661 125.554 119.914 -0.035 0.000 2.334 388 V HA 0.207 4.327 4.120 0.001 0.000 0.281 388 V C 0.636 176.669 176.094 -0.103 0.000 1.016 388 V CA -0.363 61.812 62.300 -0.209 0.000 0.832 388 V CB 1.372 32.801 31.823 -0.657 0.000 0.999 388 V HN 0.751 nan 8.190 nan 0.000 0.439 389 V N 3.335 123.257 119.914 0.014 0.000 2.581 389 V HA 0.228 4.348 4.120 0.001 0.000 0.240 389 V C 0.707 176.863 176.094 0.104 0.000 1.054 389 V CA 0.800 63.173 62.300 0.122 0.000 1.076 389 V CB 0.169 32.057 31.823 0.108 0.000 0.748 389 V HN 0.827 nan 8.190 nan 0.000 0.474 390 N N -0.004 118.661 118.700 -0.060 0.000 2.577 390 N HA 0.284 5.025 4.740 0.001 0.000 0.275 390 N C -2.465 172.891 175.510 -0.256 0.000 1.091 390 N CA -1.675 51.279 53.050 -0.160 0.000 0.843 390 N CB 2.233 40.696 38.487 -0.040 0.000 1.295 390 N HN -0.018 nan 8.380 nan 0.000 0.530 391 P HA -0.008 nan 4.420 nan 0.000 0.226 391 P C 0.933 178.113 177.300 -0.200 0.000 1.153 391 P CA 1.073 63.965 63.100 -0.345 0.000 0.777 391 P CB 0.203 31.611 31.700 -0.486 0.000 0.794 392 T N -5.543 108.906 114.554 -0.175 0.000 3.069 392 T HA 0.140 4.490 4.350 0.001 0.000 0.252 392 T C 0.545 175.207 174.700 -0.063 0.000 1.053 392 T CA -0.167 61.873 62.100 -0.099 0.000 0.964 392 T CB -0.096 68.725 68.868 -0.079 0.000 1.005 392 T HN 0.071 nan 8.240 nan 0.000 0.532 393 Q N 1.286 121.049 119.800 -0.062 0.000 2.389 393 Q HA 0.420 4.760 4.340 0.001 0.000 0.277 393 Q C -0.664 175.321 176.000 -0.025 0.000 1.082 393 Q CA -1.122 54.660 55.803 -0.034 0.000 0.810 393 Q CB 2.052 30.776 28.738 -0.024 0.000 1.374 393 Q HN 0.424 nan 8.270 nan 0.000 0.422 394 K N 0.000 120.391 120.400 -0.015 0.000 2.780 394 K HA 0.000 4.320 4.320 0.001 0.000 0.191 394 K CA 0.000 56.282 56.287 -0.008 0.000 0.838 394 K CB 0.000 32.493 32.500 -0.011 0.000 1.064 394 K HN 0.000 nan 8.250 nan 0.000 0.543